A0A077Z3E2_TRITR Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z3E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 678 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	40	Very low	254 Å²	254	177.6 Å²	177.6	100%	1.251	88%	0.883	S	S	*	*				0	136.9	0	-53.7	165.8	-173.4	0	0	107.4
2	G	40.9	Very low	40.3	Very low	71 Å²	71	173.1 Å²	173.1	73%	0.732	88%	0.876	S	S	*	*			cis	174.3	101.9	-12.8	0	0	0	0	0	113.9
3	R	37.8	Very low	39.9	Very low	250 Å²	250	173 Å²	173	94%	0.943	87%	0.866	S	S	*	*			trans	65.2	124.2	169.2	-56.7	179.1	-178.7	-173.3	0.2	115.6
4	R	36.7	Very low	40.1	Very low	240 Å²	240	172.9 Å²	172.9	91%	0.906	87%	0.869	S	S	*	*				64.3	118.3	67.1	-85.9	-167.3	175.9	-175	0.8	115
5	I	45.9	Very low	40	Very low	169 Å²	169	172.5 Å²	172.5	87%	0.867	86%	0.863	S	S	*	*				-176.8	138.5	125.2	-93.2	150.6	0	0	0	109.8
6	P	41.9	Very low	40.1	Very low	108 Å²	108	173.9 Å²	173.9	70%	0.701	87%	0.866	S	S	*	*			trans	-127.1	173.8	174.2	42.2	-30.9	0	0	0	115.3
7	R	36.2	Very low	39.9	Very low	251 Å²	251	174.2 Å²	174.2	95%	0.947	86%	0.861	S	S	*	*			trans	77.6	135.2	167.7	-58	-176.5	176.9	-174.4	-1.2	117.9
8	G	43.6	Very low	39.8	Very low	82 Å²	82	172.4 Å²	172.4	85%	0.845	85%	0.854	S	S	*	*			trans	-175.7	122.3	165.2	0	0	0	0	0	109
9	S	33.7	Very low	39.7	Very low	107 Å²	107	173.7 Å²	173.7	75%	0.748	85%	0.854	S	S	*	*			trans	-134.5	125.1	-173.1	57.7	0	0	0	0	111.4
10	H	43.4	Very low	39.3	Very low	204 Å²	204	171.3 Å²	171.3	94%	0.944	85%	0.849	S	S	*	*			trans	-150.9	155.2	161	-92.2	-57.9	0	0	0	112.2
11	R	36.5	Very low	39.3	Very low	218 Å²	218	172.6 Å²	172.6	82%	0.823	85%	0.853	S	S	*	*			trans	-147.3	131.5	176.5	-178.8	-170.5	-167.8	-174.7	8.5	107.6
12	P	43.3	Very low	38.9	Very low	123 Å²	123	170 Å²	170	80%	0.799	84%	0.835	S	S	*	*			trans	-106.9	165.2	154.7	5	15.8	0	0	0	111.1
13	K	35.7	Very low	38.6	Very low	172 Å²	172	170.4 Å²	170.4	75%	0.748	84%	0.839	S	S	*	*			trans	-101.4	162.3	164.1	-58.3	174.4	-178.9	177	0	108.3
14	N	41.8	Very low	38.2	Very low	171 Å²	171	167 Å²	167	91%	0.914	83%	0.834	S	S	*	*			trans	-151.3	157.5	137.5	-109.3	-14.4	0	0	0	110.8
15	H	38.4	Very low	38.1	Very low	167 Å²	167	163 Å²	163	77%	0.773	83%	0.829	S	S	*	*			trans	-102.2	149.2	178.2	-80.3	-87.2	0	0	0	110.4
16	E	41.6	Very low	37.5	Very low	196 Å²	196	162.4 Å²	162.4	92%	0.916	83%	0.825	S	S	*	*				-145.3	-177	125.1	-128.2	171.5	174.6	0	0	111.5
17	K	37.3	Very low	37.1	Very low	178 Å²	178	163.4 Å²	163.4	77%	0.774	83%	0.83	S	S	*	*			trans	-157.5	167	-136.5	-158.7	-174	-175.3	-178.1	0	111.9
18	I	37.6	Very low	37	Very low	143 Å²	143	157.4 Å²	157.4	73%	0.733	82%	0.823	S	S	*	*			trans	77.6	140.7	168.3	-50.9	174.2	0	0	0	111.3
19	K	38.8	Very low	36.4	Very low	197 Å²	197	161.5 Å²	161.5	86%	0.857	82%	0.82	S	S	*	*			cis	-137.4	165.1	21.4	-143	147.8	-170.4	179.9	0	113
20	T	32.1	Very low	36.2	Very low	125 Å²	125	162.2 Å²	162.2	77%	0.767	82%	0.816	S	S	*	*			trans	-116.2	145.3	177.5	-45.3	0	0	0	0	109.8
21	E	39	Very low	35.6	Very low	198 Å²	198	161.7 Å²	161.7	93%	0.925	81%	0.811	S	S	*	*			trans	-149.1	163.7	154.1	-141.3	145.5	-122.7	0	0	111.1
22	K	34.2	Very low	35.4	Very low	200 Å²	200	160.4 Å²	160.4	87%	0.87	81%	0.811	S	S	*	*			trans	-108.7	153.2	-168	-67.6	-176.5	175.7	-173.3	0	112.6
23	G	35.6	Very low	34.8	Very low	79 Å²	79	159.9 Å²	159.9	81%	0.814	81%	0.806	S	S	*	*			trans	-165.6	91.9	167.1	0	0	0	0	0	111.9
24	E	28.4	Very low	34.6	Very low	180 Å²	180	159.5 Å²	159.5	84%	0.841	81%	0.812	S	S	*	*			trans	-78.6	157.8	159.8	-64.2	168.9	113.3	0	0	109.2
25	I	34	Very low	34.1	Very low	155 Å²	155	155.6 Å²	155.6	80%	0.795	80%	0.804	S	S	*	*			trans	156.1	122.3	137.8	-83.3	162.9	0	0	0	112.5
26	I	35	Very low	33.7	Very low	156 Å²	156	151.8 Å²	151.8	80%	0.8	80%	0.801	S	S	*	*			trans	65.9	126.8	156.6	-67.8	166.7	0	0	0	120
27	T	32.1	Very low	33.3	Very low	129 Å²	129	150.7 Å²	150.7	79%	0.791	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-94.8	149.6	163	45.3	0	0	0	0	111.9
28	P	35.1	Very low	33.1	Very low	125 Å²	125	150.4 Å²	150.4	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-101.7	141.7	164.2	34.8	-29	0	0	0	112.8
29	H	30.7	Very low	32.9	Very low	168 Å²	168	147.6 Å²	147.6	78%	0.778	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.5	161.2	175.1	-111.7	-105.2	0	0	0	113.8
30	D	29.8	Very low	32.6	Very low	123 Å²	123	145.5 Å²	145.5	66%	0.658	78%	0.78	S	S	*	*			trans	27.1	118	149.8	-56.7	-34.6	0	0	0	120.4
31	K	30.2	Very low	32.7	Very low	192 Å²	192	144 Å²	144	84%	0.835	78%	0.775	S	S	*	*				169.7	119.5	116.5	-89.1	147.1	-165.6	163.2	0	112.3
32	K	32.1	Very low	32.3	Very low	192 Å²	192	138.2 Å²	138.2	84%	0.835	76%	0.761	S	S	*	*			trans	157.5	96.5	138.4	-87.1	157.8	-175.7	177.9	0	110.4
33	T	32.4	Very low	32.3	Very low	112 Å²	112	132.9 Å²	132.9	69%	0.687	75%	0.754	S	S	*	*				85.2	104.1	74.8	58.6	0	0	0	0	114.7	A35	T33-A35 PolarHBondContact O-N 2.94Å; T33-A35 VanDerWaalsContact O-N 3.13Å
34	N	30.6	Very low	32.2	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	75%	0.745	S	S	*	*			trans	27.5	71.7	137.9	-64.2	-8	0	0	0	117.6
35	A	30.2	Very low	32.3	Very low	90 Å²	90	134.9 Å²	134.9	74%	0.744	74%	0.74	S	S	*	*			trans	-122.1	-16.6	169.9	0	0	0	0	0	114.1	T33	T33-A35 PolarHBondContact O-N 2.94Å; T33-A35 VanDerWaalsContact O-N 3.13Å
36	A	31.2	Very low	32.1	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	73%	0.734	S	S	*	*	S	Bend	trans	-90.5	-14.4	-175.4	0	0	0	0	0	115.2	Q38	A36-Q38 PolarHBondContact O-N 3.26Å
37	R	33	Very low	31.9	Very low	174 Å²	174	132.2 Å²	132.2	66%	0.657	74%	0.735	S	S	*	*	S	Bend	trans	-93.5	21.9	-174	-91.6	-177	164.3	-173.7	-8.8	114.7	D452	R37-D452 IonicContact CZ-OD1 3.64Å; R37-D452 IonicContact NH1-OD1 2.7Å; R37-D452 PolarHBondContact NH1-OD1 2.7Å; R37-D452 IonicContact NH2-OD1 3.23Å; R37-D452 PolarHBondContact NH2-OD1 2.93Å
38	Q	33.9	Very low	31.8	Very low	172 Å²	172	130.3 Å²	130.3	80%	0.804	72%	0.724	S	S	*	*	S	Bend	trans	-137	0.1	-177.1	-73.3	-170.6	-15.1	0	0	116.5	A36	A36-Q38 PolarHBondContact O-N 3.26Å
39	S	32.8	Very low	31.6	Very low	84 Å²	84	132.9 Å²	132.9	59%	0.587	73%	0.73	S	S	*	*	S	Bend	trans	-88.6	-16.9	-173.9	45.6	0	0	0	0	115.5
40	L	33.4	Very low	31.4	Very low	152 Å²	152	134.9 Å²	134.9	80%	0.796	74%	0.737	S	S	*	*	S	Bend	trans	-81.9	-22.3	-171.1	-74.3	166.4	0	0	0	115.1
41	S	33.2	Very low	31.4	Very low	94 Å²	94	140 Å²	140	66%	0.657	75%	0.747	S	S	*	*	S	Bend	trans	-82.1	-20.7	-178.9	56.6	0	0	0	0	114.3
42	A	31.6	Very low	31.5	Very low	77 Å²	77	138.7 Å²	138.7	64%	0.636	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-82	-21.5	-173.4	0	0	0	0	0	114.2	Y44	A42-Y44 VanDerWaalsContact C-N 3.32Å; A42-Y44 PolarHBondContact O-N 2.59Å
43	A	33.8	Very low	31.2	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-78.3	-9.7	-172.1	0	0	0	0	0	114.9
44	Y	33.4	Very low	31.1	Very low	161 Å²	161	138.5 Å²	138.5	63%	0.631	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-102.4	1.6	-172.5	-84.4	-80.7	0	0	0	115.2	A42 P513	A42-Y44 VanDerWaalsContact C-N 3.32Å; A42-Y44 PolarHBondContact O-N 2.59Å; Y44-P513 HydrophobicContact CD1-CG 4.44Å; Y44-P513 HydrophobicContact CE1-CG 4.18Å
45	I	30.6	Very low	31.2	Very low	140 Å²	140	138.9 Å²	138.9	72%	0.718	75%	0.746	S	S	*	*			trans	-120	74.9	-174.3	-47.4	-179.9	0	0	0	111.3
46	N	29.3	Very low	31.2	Very low	126 Å²	126	142.2 Å²	142.2	67%	0.674	75%	0.75	S	S	*	*			trans	-159	93.7	150.4	-140.9	-6.8	0	0	0	115.8	T48	N46-T48 VanDerWaalsContact C-N 3.26Å; N46-T48 PolarHBondContact O-N 3.34Å; N46-T48 VanDerWaalsContact O-N 3.13Å; N46-T48 WeakPolarHBondContact OD1-CG2 3.19Å; N46-T48 PolarHBondContact OD1-OG1 2.98Å
47	P	30.1	Very low	31.3	Very low	128 Å²	128	146 Å²	146	83%	0.831	75%	0.751	S	S	*	*			trans	-85.2	46.7	176.5	36	-35.7	0	0	0	113.1
48	T	30.6	Very low	31.2	Very low	90 Å²	90	143.5 Å²	143.5	55%	0.552	75%	0.754	S	S	*	*			trans	-129.2	54.3	-168.4	71	0	0	0	0	115.9	N46	N46-T48 VanDerWaalsContact C-N 3.26Å; N46-T48 PolarHBondContact O-N 3.34Å; N46-T48 VanDerWaalsContact O-N 3.13Å; N46-T48 WeakPolarHBondContact OD1-CG2 3.19Å; N46-T48 PolarHBondContact OD1-OG1 2.98Å
49	L	30.3	Very low	31.2	Very low	178 Å²	178	141.2 Å²	141.2	93%	0.932	75%	0.747	S	S	*	*			trans	-126.2	37.5	165.7	-77.6	-179.7	0	0	0	114.2	R51	L49-R51 PolarHBondContact O-N 2.87Å
50	F	27.9	Very low	31.2	Very low	211 Å²	211	141.1 Å²	141.1	93%	0.925	75%	0.752	S	S	*	*			trans	-89.3	77.2	163.5	-118.1	-77.9	0	0	0	110.7
51	R	29.8	Very low	31.6	Very low	231 Å²	231	139.9 Å²	139.9	87%	0.872	75%	0.753	S	S	*	*			trans	-166.7	107.7	165.8	-112.5	166.7	-169.4	-179.9	3.8	112.3	L49	L49-R51 PolarHBondContact O-N 2.87Å
52	N	30.7	Very low	31.7	Very low	164 Å²	164	145 Å²	145	88%	0.877	76%	0.763	S	S	*	*			trans	-150.6	64.1	157	-105.3	-29.4	0	0	0	110.2	Q54	N52-Q54 PolarHBondContact O-N 3.47Å
53	V	26.7	Very low	32.1	Very low	142 Å²	142	149.6 Å²	149.6	86%	0.861	78%	0.777	S	S	*	*			trans	-90.5	87.4	168	178.2	0	0	0	0	108
54	Q	30.8	Very low	32.1	Very low	157 Å²	157	150 Å²	150	73%	0.734	78%	0.781	S	S	*	*			trans	-167	130.7	170.1	-109.4	-174.6	60.8	0	0	107.6	N52	N52-Q54 PolarHBondContact O-N 3.47Å
55	K	32.4	Very low	32.5	Very low	172 Å²	172	152.1 Å²	152.1	75%	0.748	79%	0.793	S	S	*	*			cis	-135.9	140.6	6.8	-69.9	161.2	-175.9	168.8	0	110	K57	K55-K57 PolarHBondContact O-N 3.45Å
56	I	29.1	Very low	32.8	Very low	159 Å²	159	152.8 Å²	152.8	82%	0.815	79%	0.791	S	S	*	*			trans	-69.7	123.8	157.1	-60	172.9	0	0	0	106.8	V58	I56-V58 HydrophobicContact CG2-CG2 3.79Å
57	K	33.1	Very low	33.4	Very low	167 Å²	167	154.3 Å²	154.3	73%	0.726	80%	0.797	S	S	*	*			trans	-102.6	115.2	160.6	-101.6	-170.1	154.3	-140.9	0	108.3	K55 D59	K55-K57 PolarHBondContact O-N 3.45Å; K57-D59 IonicContact NZ-OD2 3.72Å; K57-D59 PolarHBondContact O-N 2.94Å
58	V	31.1	Very low	33.7	Very low	121 Å²	121	154.4 Å²	154.4	73%	0.733	79%	0.786	S	S	*	*			trans	-91.9	92	169.2	-177.7	0	0	0	0	107.4	I56 A60	I56-V58 HydrophobicContact CG2-CG2 3.79Å; V58-A60 HydrophobicContact CG1-CB 4.37Å
59	D	35.7	Very low	34.1	Very low	123 Å²	123	156 Å²	156	66%	0.658	79%	0.792	S	S	*	*			trans	-98.1	97.7	171.5	-75.4	-49.8	0	0	0	108.4	K57	K57-D59 IonicContact NZ-OD2 3.72Å; K57-D59 PolarHBondContact O-N 2.94Å
60	A	31.9	Very low	34.7	Very low	82 Å²	82	155.5 Å²	155.5	68%	0.678	78%	0.782	S	S	*	*			trans	-114.2	103.8	-174.7	0	0	0	0	0	112	V58	V58-A60 HydrophobicContact CG1-CB 4.37Å
61	P	41.9	Very low	35.1	Very low	126 Å²	126	152.3 Å²	152.3	82%	0.818	78%	0.775	S	S	*	*			trans	-79.2	123	170.8	31	-31.2	0	0	0	110.6
62	K	35.8	Very low	35.5	Very low	201 Å²	201	146.6 Å²	146.6	87%	0.874	77%	0.769	S	S	*	*			trans	-68.7	134.1	173.3	-60.2	169.1	-177.6	173.4	0	110.1
63	N	38.9	Very low	36	Very low	175 Å²	175	144.7 Å²	144.7	94%	0.936	76%	0.763	S	S	*	*			trans	-152.3	140.2	151.3	-104.6	-37.4	0	0	0	110
64	A	35.2	Very low	36.5	Very low	97 Å²	97	149 Å²	149	80%	0.802	76%	0.764	S	S	*	*			trans	-132.9	136.1	-169.2	0	0	0	0	0	112.5
65	K	40.2	Very low	36.8	Very low	205 Å²	205	145.6 Å²	145.6	89%	0.891	76%	0.763	S	S	*	*			trans	-178.1	99.1	164.3	-98.8	159	-177.6	-177.2	0	104.1
66	K	36.8	Very low	37	Very low	154 Å²	154	146.7 Å²	146.7	67%	0.67	77%	0.768	S	S	*	*				67.9	100	56.7	-164.1	-176.6	-171.5	-79.7	0	112.9	E68	K66-E68 WeakPolarHBondContact CE-OE1 3.49Å; K66-E68 IonicContact NZ-OE1 2.63Å; K66-E68 PolarHBondContact NZ-OE1 3.3Å; K66-E68 IonicContact NZ-OE2 2.74Å; K66-E68 PolarHBondContact NZ-OE2 3.32Å
67	I	41.7	Very low	37.3	Very low	157 Å²	157	145.2 Å²	145.2	81%	0.805	77%	0.768	S	S	*	*			trans	178.6	106.9	167.1	-91.6	149.1	0	0	0	100.2
68	E	37.5	Very low	37.8	Very low	130 Å²	130	143 Å²	143	61%	0.607	77%	0.774	S	S	*	*				52.5	111.4	56.4	-60.2	166.8	161.2	0	0	109	K66	K66-E68 WeakPolarHBondContact CE-OE1 3.49Å; K66-E68 IonicContact NZ-OE1 2.63Å; K66-E68 PolarHBondContact NZ-OE1 3.3Å; K66-E68 IonicContact NZ-OE2 2.74Å; K66-E68 PolarHBondContact NZ-OE2 3.32Å
69	D	38.7	Very low	38.3	Very low	124 Å²	124	143.7 Å²	143.7	66%	0.663	78%	0.778	S	S	*	*			cis	-161.6	-175	22	-118.7	-31.1	0	0	0	108.8
70	K	43.1	Very low	38.4	Very low	168 Å²	168	143.4 Å²	143.4	73%	0.73	78%	0.783	S	S	*	*			cis	-155.6	173.1	10.2	-131.9	161.4	-160.9	85	0	111.2
71	N	37	Very low	38.9	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	79%	0.792	S	S	*	*			trans	-55.6	150.6	175.3	-56.8	-41.9	0	0	0	118.8
72	C	38.5	Very low	38.6	Very low	110 Å²	110	144.4 Å²	144.4	74%	0.743	79%	0.788	S	S	*	*				173.7	114.1	112.9	-96.9	0	0	0	0	112.4
73	T	40.1	Very low	38.8	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	79%	0.788	S	S	*	*				64	139.2	96.7	61.7	0	0	0	0	117
74	R	37.4	Very low	38.4	Very low	232 Å²	232	140.5 Å²	140.5	88%	0.875	78%	0.78	S	S	*	*			cis	-178.4	157.4	-3.1	166.7	-178.5	-174	-170.8	3.7	110
75	A	36.7	Very low	38.5	Very low	86 Å²	86	140.6 Å²	140.6	71%	0.711	77%	0.772	S	S	*	*			trans	73.2	152.7	167.3	0	0	0	0	0	117.1
76	K	37.4	Very low	38.2	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	76%	0.762	S	S	*	*			cis	-161.2	135.2	-16.3	-117.2	-178.6	176.9	-174.6	0	109.1
77	P	35.3	Very low	38.1	Very low	127 Å²	127	134.3 Å²	134.3	83%	0.825	76%	0.764	S	S	*	*			trans	-91.8	164.3	168.2	35.9	-33.5	0	0	0	112.8
78	S	43.5	Very low	37.9	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	76%	0.761	S	S	*	*			trans	-119.7	165.9	168.5	54.3	0	0	0	0	111
79	V	41.1	Very low	37.9	Very low	136 Å²	136	137 Å²	137	82%	0.824	77%	0.768	S	S	*	*			trans	-111.6	141.7	-155.5	177.4	0	0	0	0	111.8
80	P	38.8	Very low	37.8	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	77%	0.767	S	S	*	*			trans	-78.6	164.3	-179	33	-38.1	0	0	0	114.2
81	A	42	Very low	37.5	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	77%	0.773	S	S	*	*			trans	-94.6	159.5	170.8	0	0	0	0	0	112.3
82	V	35.5	Very low	37.9	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	77%	0.774	S	S	*	*			trans	-113.8	146.2	-173.7	171.6	0	0	0	0	110.1
83	I	38.8	Very low	38.2	Very low	169 Å²	169	143.8 Å²	143.8	87%	0.867	78%	0.784	S	S	*	*			trans	-165.9	141.5	140.1	-98.2	147.2	0	0	0	111.3
84	V	31.9	Very low	38.2	Very low	125 Å²	125	143.6 Å²	143.6	76%	0.758	79%	0.787	S	S	*	*			trans	-151.8	155.7	174.3	-140.7	0	0	0	0	102.8
85	P	36.4	Very low	38.5	Very low	100 Å²	100	136.6 Å²	136.6	65%	0.649	78%	0.779	S	S	*	*			cis	-153.8	-157.5	27.8	37.8	-10.9	0	0	0	117
86	T	35	Very low	38.8	Very low	110 Å²	110	140.2 Å²	140.2	68%	0.675	78%	0.781	S	S	*	*			trans	78.3	98.7	143.9	38	0	0	0	0	123.1
87	T	33.1	Very low	39.2	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	78%	0.776	S	S	*	*				68.2	132.4	115.7	56.6	0	0	0	0	124.6
88	I	38.1	Very low	40	Very low	143 Å²	143	139.4 Å²	139.4	73%	0.733	78%	0.775	S	S	*	*			trans	93.9	128.7	135.5	-75.5	163.4	0	0	0	119.8
89	R	37.6	Very low	40	Very low	200 Å²	200	142 Å²	142	76%	0.755	77%	0.774	S	S	*	*			trans	74.6	122.1	165.3	-79.5	-170.6	154.3	113.1	8.3	119.3
90	E	36.4	Very low	40.6	Very low	140 Å²	140	142.9 Å²	142.9	65%	0.654	77%	0.774	S	S	*	*				58.3	95	79.3	-61.6	176.4	152.5	0	0	111
91	D	38.2	Very low	41.5	Very low	160 Å²	160	143.7 Å²	143.7	86%	0.856	77%	0.772	S	S	*	*				-173.9	171.7	111.7	-84.9	-15.1	0	0	0	111.7
92	D	43.6	Very low	41.8	Very low	146 Å²	146	148.5 Å²	148.5	78%	0.781	77%	0.774	S	S	*	*			trans	-52.4	144	-166.5	-57.1	-52.4	0	0	0	117.7
93	Y	45.5	Very low	42.3	Very low	244 Å²	244	149.5 Å²	149.5	96%	0.957	77%	0.77	S	S	*	*			trans	-151.7	137.9	136.3	-93.5	-68.9	0	0	0	111.4
94	S	39.8	Very low	42.7	Very low	119 Å²	119	149.9 Å²	149.9	83%	0.832	77%	0.769	S	S	*	*			trans	-108.8	118.6	-177.8	56.7	0	0	0	0	112.4
95	A	44.9	Very low	43.7	Very low	85 Å²	85	153.7 Å²	153.7	70%	0.702	77%	0.771	S	S	*	*			trans	-164.9	145	163.4	0	0	0	0	0	108
96	E	41.1	Very low	44	Very low	163 Å²	163	157 Å²	157	76%	0.762	78%	0.778	S	S	*	*			cis	-150.5	151.2	-8.2	-116.3	154.8	-143.1	0	0	107.5	F98	E96-F98 PolarHBondContact O-N 2.8Å
97	T	47.4	Very low	44.6	Very low	119 Å²	119	161 Å²	161	73%	0.73	79%	0.788	S	S	*	*			trans	-81.8	112.9	177.5	-29	0	0	0	0	109.1	E99	T97-E99 HydrophobicContact CG2-CG 4.02Å; T97-E99 PolarHBondContact O-N 2.97Å
98	F	51.1	Low	45.2	Very low	187 Å²	187	162.9 Å²	162.9	82%	0.82	79%	0.794	S	S	*	*			trans	-81.5	76.9	165.7	-71.1	-84.3	0	0	0	109.2	E96	E96-F98 PolarHBondContact O-N 2.8Å
99	E	43	Very low	45.5	Very low	176 Å²	176	163.9 Å²	163.9	82%	0.822	80%	0.801	S	S	*	*			trans	-77.4	111.1	151.2	-66.4	178.4	159.6	0	0	105	T97	T97-E99 HydrophobicContact CG2-CG 4.02Å; T97-E99 PolarHBondContact O-N 2.97Å
100	D	55.1	Low	45.7	Very low	153 Å²	153	158.2 Å²	158.2	82%	0.818	80%	0.797	S	S	*	*			trans	-107.7	128.9	-174.7	-163	14.7	0	0	0	108.2	F102	D100-F102 PolarHBondContact O-N 3.47Å
101	D	56.7	Low	45.9	Very low	134 Å²	134	161.3 Å²	161.3	72%	0.717	81%	0.812	S	S	*	*			trans	-66.5	126.1	-162.5	-75.2	-53.2	0	0	0	113
102	F	48.4	Very low	46.1	Very low	206 Å²	206	160.4 Å²	160.4	90%	0.904	81%	0.812	S	S	*	*			trans	-122.3	78	153.5	-111.5	-93.7	0	0	0	107.4	D100 E104	D100-F102 PolarHBondContact O-N 3.47Å; F102-E104 PolarHBondContact O-N 3.04Å
103	E	46.9	Very low	45.8	Very low	144 Å²	144	158.6 Å²	158.6	67%	0.673	81%	0.81	S	S	*	*			trans	-58.7	132.8	174.6	-73.7	-163.8	133.8	0	0	110.6	Y105	E103-Y105 PolarHBondContact O-N 2.87Å
104	E	46.2	Very low	45.3	Very low	178 Å²	178	152.9 Å²	152.9	83%	0.832	80%	0.803	S	S	*	*			trans	-73.8	106.9	174.7	-66.9	176.6	124.1	0	0	109.2	F102 E106	F102-E104 PolarHBondContact O-N 3.04Å; E104-E106 PolarHBondContact O-N 3.11Å
105	Y	54	Low	45.2	Very low	204 Å²	204	152.9 Å²	152.9	80%	0.8	80%	0.801	S	S	*	*			trans	-75.1	80.1	166.2	-79	-98.3	0	0	0	109.5	E103 E107	E103-Y105 PolarHBondContact O-N 2.87Å; Y105-E107 PolarHBondContact O-N 2.81Å; Y105-E107 VanDerWaalsContact O-N 3.08Å
106	E	42.6	Very low	44.6	Very low	171 Å²	171	157.8 Å²	157.8	80%	0.799	81%	0.806	S	S	*	*			trans	-69.1	91.6	161.2	-69.7	-164.9	131.7	0	0	109.1	E104 D108	E104-E106 PolarHBondContact O-N 3.11Å; E106-D108 PolarHBondContact O-N 2.91Å
107	E	48	Very low	44.3	Very low	192 Å²	192	155.9 Å²	155.9	90%	0.897	80%	0.801	S	S	*	*			trans	-74.2	80.6	159.6	-79.9	-166.5	142.9	0	0	109.4	Y105 D109	Y105-E107 PolarHBondContact O-N 2.81Å; Y105-E107 VanDerWaalsContact O-N 3.08Å; E107-D109 PolarHBondContact O-N 3.11Å
108	D	44.1	Very low	43.6	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	80%	0.796	S	S	*	*			trans	-71	102.3	168.1	-156.2	23	0	0	0	108.7	E106	E106-D108 PolarHBondContact O-N 2.91Å
109	D	45.8	Very low	43	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	79%	0.788	S	S	*	*			trans	-144.6	139.3	164.9	-138.8	-21.5	0	0	0	112.2	E107	E107-D109 PolarHBondContact O-N 3.11Å
110	A	41.5	Very low	42.4	Very low	82 Å²	82	152.9 Å²	152.9	68%	0.678	78%	0.781	S	S	*	*			trans	-99	161.7	-146.8	0	0	0	0	0	116.3	V112	A110-V112 PolarHBondContact O-N 2.86Å
111	E	39.8	Very low	41.5	Very low	204 Å²	204	152.5 Å²	152.5	95%	0.953	77%	0.774	S	S	*	*			trans	-56.9	115.4	173.4	-65.7	-171.9	126.5	0	0	112.9
112	V	42.6	Very low	40.5	Very low	141 Å²	141	152.8 Å²	152.8	86%	0.855	78%	0.775	S	S	*	*			trans	-132.8	130.4	157.7	-174.3	0	0	0	0	109.7	A110	A110-V112 PolarHBondContact O-N 2.86Å
113	S	38	Very low	39.7	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	77%	0.768	S	S	*	*			trans	-93.6	150.1	-173.4	46.2	0	0	0	0	113.5
114	P	35.5	Very low	39.1	Very low	125 Å²	125	146 Å²	146	81%	0.812	77%	0.77	S	S	*	*			trans	-95.3	148.5	-164.6	35.7	-36.7	0	0	0	115.2
115	P	36.7	Very low	38.5	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	77%	0.766	S	S	*	*			trans	-116.6	112.5	158.5	34.4	-22.1	0	0	0	113
116	K	32.8	Very low	37.3	Very low	187 Å²	187	140.9 Å²	140.9	81%	0.813	76%	0.76	S	S	*	*			trans	26.4	147.8	130.8	-66.1	-179.4	179.2	178.4	0	121.6
117	N	35	Very low	36.9	Very low	123 Å²	123	140.3 Å²	140.3	66%	0.658	76%	0.763	S	S	*	*			trans	74.7	147.7	152.1	-71.8	24.2	0	0	0	115.6
118	E	32.9	Very low	36	Very low	136 Å²	136	136.8 Å²	136.8	64%	0.636	76%	0.759	S	S	*	*			cis	-163.6	170	-0.8	-127.1	155	179.3	0	0	111.7
119	H	37.3	Very low	35.5	Very low	138 Å²	138	134.1 Å²	134.1	64%	0.639	76%	0.759	S	S	*	*			trans	68	123.4	159.1	-67.2	-50.2	0	0	0	118
120	Q	31.7	Very low	34.7	Very low	146 Å²	146	135.7 Å²	135.7	68%	0.682	76%	0.761	S	S	*	*				68.9	138.5	88.7	-85.8	171.7	-97.6	0	0	113.3
121	E	34.3	Very low	34.4	Very low	144 Å²	144	138 Å²	138	67%	0.673	77%	0.766	S	S	*	*			cis	-160.7	169.9	27.7	-128.5	169.9	-155.2	0	0	114.3
122	L	35.8	Very low	34.1	Very low	141 Å²	141	134.1 Å²	134.1	74%	0.738	75%	0.748	S	S	*	*			trans	47.2	115.8	153.6	-62.2	160.5	0	0	0	119.8
123	A	31.8	Very low	33.6	Very low	91 Å²	91	138.4 Å²	138.4	75%	0.752	75%	0.751	S	S	*	*			cis	100.4	172.8	34.3	0	0	0	0	0	115
124	V	34.5	Very low	33.4	Very low	117 Å²	117	140 Å²	140	71%	0.709	74%	0.744	S	S	*	*			trans	109.5	107	160.6	-172.9	0	0	0	0	117.8
125	H	34.2	Very low	33.3	Very low	165 Å²	165	144.6 Å²	144.6	76%	0.764	75%	0.745	S	S	*	*			trans	58.3	133.6	158	-60.7	-41.9	0	0	0	120.4
126	T	28	Very low	33	Very low	109 Å²	109	148.4 Å²	148.4	67%	0.669	75%	0.75	S	S	*	*			cis	68.6	105.3	29.6	77.1	0	0	0	0	116.4
127	D	34.4	Very low	33	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	75%	0.748	S	S	*	*				-170.1	176.1	98.8	-112.8	-41.4	0	0	0	114.4
128	S	28.5	Very low	33.1	Very low	117 Å²	117	143.6 Å²	143.6	82%	0.818	75%	0.749	S	S	*	*			trans	-101.9	149.3	-172.3	-59.4	0	0	0	0	114.8
129	A	34	Very low	33.3	Very low	101 Å²	101	144.5 Å²	144.5	84%	0.835	76%	0.759	S	S	*	*			trans	-150.4	134.3	161	0	0	0	0	0	112.6
130	Q	29.4	Very low	33.4	Very low	196 Å²	196	144.1 Å²	144.1	92%	0.916	76%	0.761	S	S	*	*			trans	-98.9	146.6	166.3	-66.4	178.3	-18.5	0	0	109.7
131	V	35.9	Very low	33.7	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	76%	0.76	S	S	*	*			trans	-138.1	133.2	162.8	-177.8	0	0	0	0	109.7
132	E	32.4	Very low	34	Very low	124 Å²	124	140.3 Å²	140.3	58%	0.579	76%	0.764	S	S	*	*			trans	-83.3	153.1	177.9	-50.7	-172.9	100.2	0	0	112.8	K134	E132-K134 WeakPolarHBondContact OE1-CD 3.41Å; E132-K134 WeakPolarHBondContact OE1-CE 3.44Å; E132-K134 IonicContact OE1-NZ 2.66Å; E132-K134 PolarHBondContact OE1-NZ 2.81Å; E132-K134 IonicContact OE2-NZ 2.86Å; E132-K134 PolarHBondContact OE2-NZ 3.11Å
133	Y	33.3	Very low	34.1	Very low	231 Å²	231	142.7 Å²	142.7	91%	0.906	77%	0.768	S	S	*	*			trans	-132.7	148.2	140	-77.3	-73.5	0	0	0	110
134	K	33.1	Very low	34.4	Very low	141 Å²	141	143.7 Å²	143.7	61%	0.613	76%	0.761	S	S	*	*			trans	-157.3	157	-144.4	-158.5	175.4	-164.2	160.4	0	112.9	E132	E132-K134 WeakPolarHBondContact OE1-CD 3.41Å; E132-K134 WeakPolarHBondContact OE1-CE 3.44Å; E132-K134 IonicContact OE1-NZ 2.66Å; E132-K134 PolarHBondContact OE1-NZ 2.81Å; E132-K134 IonicContact OE2-NZ 2.86Å; E132-K134 PolarHBondContact OE2-NZ 3.11Å
135	R	32.6	Very low	34.6	Very low	222 Å²	222	145.1 Å²	145.1	84%	0.838	76%	0.76	S	S	*	*			trans	80.2	143.7	179.4	-53.7	169.4	171.6	146	-3.5	113.2
136	F	31.6	Very low	34.8	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.873	76%	0.763	S	S	*	*			cis	-120	179.5	30.2	-105.4	-104.6	0	0	0	115.9
137	T	31.5	Very low	35.1	Very low	126 Å²	126	147.1 Å²	147.1	77%	0.773	77%	0.767	S	S	*	*			trans	-148.3	174.7	-166.2	50.4	0	0	0	0	113.3
138	A	37.4	Very low	35.1	Very low	83 Å²	83	145.1 Å²	145.1	69%	0.686	77%	0.765	S	S	*	*			trans	83.6	145.9	177.4	0	0	0	0	0	116
139	D	38.1	Very low	35.4	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	76%	0.759	S	S	*	*			cis	-171.2	167.1	-9	-100.9	-8.7	0	0	0	108.4
140	D	39.7	Very low	35.3	Very low	129 Å²	129	148.2 Å²	148.2	69%	0.69	76%	0.759	S	S	*	*			cis	-155.7	128.5	-6.7	172.5	61.1	0	0	0	111.6
141	S	37.7	Very low	35.6	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	75%	0.751	S	S	*	*			trans	48.2	-178.7	143.4	-44.4	0	0	0	0	122.5
142	P	40.6	Very low	35.6	Very low	116 Å²	116	148.8 Å²	148.8	75%	0.753	76%	0.757	S	S	*	*				-141.3	-175.9	-117	34.7	-7.8	0	0	0	117.6
143	K	37.1	Very low	35.9	Very low	190 Å²	190	152 Å²	152	83%	0.826	77%	0.769	S	S	*	*			trans	157.9	154.7	153.5	-90.3	164.5	-174.6	171.8	0	110.8
144	D	37.4	Very low	35.9	Very low	113 Å²	113	145.7 Å²	145.7	60%	0.604	77%	0.765	S	S	*	*			cis	-154.3	152.8	-7.8	-128.5	-30.9	0	0	0	112.4
145	Q	40.6	Very low	36.2	Very low	147 Å²	147	146.7 Å²	146.7	69%	0.687	78%	0.775	S	S	*	*			trans	22.2	119.3	155.2	-66.5	158.1	63	0	0	122.5
146	N	36.5	Very low	36.1	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	77%	0.774	S	S	*	*				-176.4	146.2	93.4	-98.5	-63	0	0	0	114.2
147	Q	34.7	Very low	36.1	Very low	161 Å²	161	143 Å²	143	75%	0.752	77%	0.772	S	S	*	*			trans	-140.2	145.2	178.8	-73.9	-176.6	-13.2	0	0	112.5
148	S	34.6	Very low	36.2	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	77%	0.771	S	S	*	*			trans	176.8	104.3	142.6	27.9	0	0	0	0	108.8
149	H	34.6	Very low	35.9	Very low	148 Å²	148	143.4 Å²	143.4	69%	0.685	77%	0.772	S	S	*	*				62	107.6	68.9	-80.7	-76.5	0	0	0	116.9
150	T	33.2	Very low	35.7	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	77%	0.774	S	S	*	*			trans	-166.6	87.1	134	-67	0	0	0	0	106.9
151	L	35.9	Very low	35.5	Very low	143 Å²	143	140.8 Å²	140.8	75%	0.749	78%	0.775	S	S	*	*				68.8	88.6	98.1	-91.5	165.5	0	0	0	115.3
152	E	35.8	Very low	35.5	Very low	195 Å²	195	145.4 Å²	145.4	91%	0.911	79%	0.786	S	S	*	*			trans	-92.2	152.8	146.9	-74.8	-170.4	130.6	0	0	109.6
153	K	37.5	Very low	35.5	Very low	192 Å²	192	149.3 Å²	149.3	84%	0.835	80%	0.795	S	S	*	*			trans	-114.4	110.5	170.2	-81	-172.8	172.1	-173.3	0	109.7
154	A	33.4	Very low	35.7	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	79%	0.794	S	S	*	*			trans	-81.6	152.9	153.2	0	0	0	0	0	109.2
155	I	40.3	Very low	36.1	Very low	161 Å²	161	147.9 Å²	147.9	83%	0.826	80%	0.802	S	S	*	*			trans	-123.1	132.6	170.9	-66.7	174.7	0	0	0	106.5
156	E	30.1	Very low	36.3	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	81%	0.81	S	S	*	*			trans	-85.8	-172.4	-175	-59	173.5	115.7	0	0	112.6
157	M	32.4	Very low	36.9	Very low	170 Å²	170	145.9 Å²	145.9	84%	0.837	80%	0.8	S	S	*	*			trans	95.4	140.3	165.8	-56.6	-74.3	-75.1	0	0	116.9
158	P	33.1	Very low	37.8	Very low	114 Å²	114	143.5 Å²	143.5	74%	0.74	79%	0.792	S	S	*	*			cis	-133.9	-178.7	-36.7	37.8	-22	0	0	0	112.7
159	S	31.2	Very low	38.7	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	78%	0.782	S	S	*	*			trans	-105.7	-174.9	178.5	59.6	0	0	0	0	113.7
160	T	33.3	Very low	40.1	Very low	140 Å²	140	140.9 Å²	140.9	86%	0.859	77%	0.773	S	S	*	*			trans	84.2	141.8	-177.3	76.4	0	0	0	0	114.3
161	A	34.9	Very low	41.2	Very low	88 Å²	88	142.9 Å²	142.9	73%	0.727	77%	0.77	S	S	*	*			cis	-142.6	-174.2	7.1	0	0	0	0	0	113
162	E	38.6	Very low	42.1	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	77%	0.766	S	S	*	*			trans	73.2	70.1	168.6	-62.6	179.2	-165.4	0	0	117.2
163	E	40.5	Very low	43.1	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	75%	0.753	S	S	*	*			trans	-85.1	142.3	156.6	-66.2	-176.3	149.5	0	0	110.7
164	L	41.9	Very low	43.9	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	74%	0.741	S	S	*	*			trans	-66.6	152.2	179.5	-75.2	161.9	0	0	0	112.5	T166	L164-T166 PolarHBondContact O-N 3.36Å
165	P	44.8	Very low	45.1	Very low	117 Å²	117	134.8 Å²	134.8	76%	0.76	73%	0.734	S	S	*	*			trans	-66.5	106.1	-174.7	26.8	-34.8	0	0	0	112.1	I167	P165-I167 PolarHBondContact O-N 3.25Å
166	T	44.4	Very low	46.6	Very low	139 Å²	139	135.1 Å²	135.1	85%	0.853	73%	0.732	S	S	*	*			trans	-72.2	119.6	173.1	-57.3	0	0	0	0	109.5	L164 D168	L164-T166 PolarHBondContact O-N 3.36Å; T166-D168 PolarHBondContact O-N 3.11Å
167	I	50.8	Low	48.7	Very low	120 Å²	120	132.9 Å²	132.9	62%	0.615	73%	0.726	S	S	*	*			trans	-71.1	125.5	-177.9	-61.5	170.9	0	0	0	110.2	P165 F169	P165-I167 PolarHBondContact O-N 3.25Å; I167-F169 HydrophobicContact CB-CE2 3.85Å; I167-F169 HydrophobicContact CB-CZ 3.9Å; I167-F169 HydrophobicContact CD1-CZ 4.5Å; I167-F169 HydrophobicContact CG2-CD1 4.21Å; I167-F169 HydrophobicContact CG2-CD2 4.23Å; I167-F169 HydrophobicContact CG2-CE1 3.82Å; I167-F169 HydrophobicContact CG2-CE2 3.84Å; I167-F169 HydrophobicContact CG2-CG 4.41Å; I167-F169 HydrophobicContact CG2-CZ 3.62Å; I167-F169 VanDerWaalsContact O-CD2 3.29Å; I167-F169 WeakPolarHBondContact O-CD2 3.48Å; I167-F169 WeakPolarHBondContact O-CE2 3.29Å; I167-F169 PolarHBondContact O-N 3.01Å
168	D	53.3	Low	50.6	Low	111 Å²	111	129.6 Å²	129.6	59%	0.594	71%	0.708	S	S	*	*			trans	-86.1	105.2	173	176.8	18.9	0	0	0	111.2	T166 S170	T166-D168 PolarHBondContact O-N 3.11Å; D168-S170 VanDerWaalsContact C-N 3.27Å; D168-S170 PolarHBondContact O-N 3.47Å; D168-S170 WeakPolarHBondContact OD1-CB 3.5Å; D168-S170 PolarHBondContact OD1-N 3.23Å; D168-S170 PolarHBondContact OD1-OG 2.85Å; D168-S170 PolarHBondContact OD2-OG 3.11Å
169	F	53.1	Low	52.5	Low	140 Å²	140	131.5 Å²	131.5	61%	0.614	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	4	178.4	-63.3	-81.7	0	0	0	114.2	I167 K171 T172	I167-F169 HydrophobicContact CB-CE2 3.85Å; I167-F169 HydrophobicContact CB-CZ 3.9Å; I167-F169 HydrophobicContact CD1-CZ 4.5Å; I167-F169 HydrophobicContact CG2-CD1 4.21Å; I167-F169 HydrophobicContact CG2-CD2 4.23Å; I167-F169 HydrophobicContact CG2-CE1 3.82Å; I167-F169 HydrophobicContact CG2-CE2 3.84Å; I167-F169 HydrophobicContact CG2-CG 4.41Å; I167-F169 HydrophobicContact CG2-CZ 3.62Å; I167-F169 VanDerWaalsContact O-CD2 3.29Å; I167-F169 WeakPolarHBondContact O-CD2 3.48Å; I167-F169 WeakPolarHBondContact O-CE2 3.29Å; I167-F169 PolarHBondContact O-N 3.01Å; F169-K171 PolarHBondContact O-N 3.35Å; F169-T172 WeakPolarHBondContact CA-OG1 3.4Å; F169-T172 PolarHBondContact O-N 2.65Å; F169-T172 PolarHBondContact O-OG1 3.34Å
170	S	62.9	Low	54.8	Low	70 Å²	70	131.5 Å²	131.5	49%	0.49	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.7	-30.4	179.5	70.8	0	0	0	0	113.4	D168	D168-S170 VanDerWaalsContact C-N 3.27Å; D168-S170 PolarHBondContact O-N 3.47Å; D168-S170 WeakPolarHBondContact OD1-CB 3.5Å; D168-S170 PolarHBondContact OD1-N 3.23Å; D168-S170 PolarHBondContact OD1-OG 2.85Å; D168-S170 PolarHBondContact OD2-OG 3.11Å
171	K	56.7	Low	57.1	Low	177 Å²	177	127.8 Å²	127.8	77%	0.77	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-83.1	-25.3	-179.9	-67.5	-177.8	179.3	177.4	0	114.2	F169 A173	F169-K171 PolarHBondContact O-N 3.35Å; K171-A173 PolarHBondContact O-N 3.12Å
172	T	56	Low	59.1	Low	108 Å²	108	127.9 Å²	127.9	66%	0.663	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74.2	0.8	-178.8	31.6	0	0	0	0	114.6	F169	F169-T172 WeakPolarHBondContact CA-OG1 3.4Å; F169-T172 PolarHBondContact O-N 2.65Å; F169-T172 PolarHBondContact O-OG1 3.34Å
173	A	57.1	Low	61.2	Low	76 Å²	76	123 Å²	123	63%	0.628	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-82	-7.8	-177.5	0	0	0	0	0	115.2	K171	K171-A173 PolarHBondContact O-N 3.12Å
174	Y	53.1	Low	63.4	Low	152 Å²	152	119.3 Å²	119.3	60%	0.596	63%	0.625	S	S	*	*	S	Bend	trans	-123.2	123.9	-176.6	-59.7	-79.9	0	0	0	111.5	H178	Y174-H178 AromaticContact CD1-ND1 3.73Å
175	N	58.8	Low	65.4	Low	124 Å²	124	117.3 Å²	117.3	66%	0.663	61%	0.614	S	S	*	*			trans	-63.3	149.2	167.4	-66.9	-4.1	0	0	0	110.1	D177 H178 W179	N175-D177 PolarHBondContact O-N 3.25Å; N175-H178 WeakPolarHBondContact O-CB 3.18Å; N175-H178 PolarHBondContact O-N 3.33Å; N175-W179 PolarHBondContact O-N 3.4Å
176	E	72.2	Confident	67.3	Low	168 Å²	168	117.4 Å²	117.4	79%	0.785	61%	0.605	S	S	*	*	H	α-helix	trans	-56.7	-36.8	179.8	-61.7	-173.9	126.7	0	0	112.6	H178 W179 L180	E176-H178 VanDerWaalsContact C-N 3.28Å; E176-H178 PolarHBondContact O-N 2.9Å; E176-W179 WeakPolarHBondContact O-CB 3.35Å; E176-W179 PolarHBondContact O-N 3.18Å; E176-L180 PolarHBondContact O-N 3.01Å
177	D	74	Confident	69.4	Low	128 Å²	128	117.3 Å²	117.3	68%	0.684	59%	0.594	S	S	*	*	H	α-helix	trans	-58	-37.5	173.3	-63.1	-38	0	0	0	113	N175 A181	N175-D177 PolarHBondContact O-N 3.25Å; D177-A181 WeakPolarHBondContact O-CB 3.32Å; D177-A181 PolarHBondContact O-N 3.1Å
178	H	71.2	Confident	71	Confident	100 Å²	100	119.7 Å²	119.7	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-75.1	-34	179.6	-170.9	-66.9	0	0	0	111.4	Y174 N175 E176 M182	Y174-H178 AromaticContact CD1-ND1 3.73Å; N175-H178 WeakPolarHBondContact O-CB 3.18Å; N175-H178 PolarHBondContact O-N 3.33Å; E176-H178 VanDerWaalsContact C-N 3.28Å; E176-H178 PolarHBondContact O-N 2.9Å; H178-M182 WeakPolarHBondContact O-CB 3.29Å; H178-M182 PolarHBondContact O-N 3.06Å
179	W	73.1	Confident	72.3	Confident	154 Å²	154	117.2 Å²	117.2	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-62.7	-48.1	170.5	163.5	-95.7	0	0	0	111	N175 E176 A181 M182 Q183	N175-W179 PolarHBondContact O-N 3.4Å; E176-W179 WeakPolarHBondContact O-CB 3.35Å; E176-W179 PolarHBondContact O-N 3.18Å; W179-A181 PolarHBondContact O-N 2.99Å; W179-M182 WeakPolarHBondContact O-CB 3.33Å; W179-M182 PolarHBondContact O-N 3.38Å; W179-Q183 HydrophobicContact CD2-CG 4.38Å; W179-Q183 HydrophobicContact CH2-CG 4.3Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.41Å; W179-Q183 HydrophobicContact CZ2-CG 3.77Å; W179-Q183 PolarHBondContact O-N 2.72Å
180	L	80	Confident	73.7	Confident	104 Å²	104	115.5 Å²	115.5	55%	0.545	58%	0.583	S	S	.	*	H	α-helix	trans	-59.9	-44.2	176.1	-85.5	161	0	0	0	112.3	E176 M182 Q183 L184	E176-L180 PolarHBondContact O-N 3.01Å; L180-M182 VanDerWaalsContact C-N 3.32Å; L180-M182 PolarHBondContact O-N 3.5Å; L180-Q183 PolarHBondContact O-N 2.86Å; L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 PolarHBondContact O-N 2.78Å; L180-L184 VanDerWaalsContact O-N 3.08Å
181	A	81.8	Confident	74.8	Confident	61 Å²	61	115.1 Å²	115.1	50%	0.504	59%	0.585	S	S	.	*	H	α-helix	trans	-62.2	-38	175.9	0	0	0	0	0	112.6	D177 W179 L185	D177-A181 WeakPolarHBondContact O-CB 3.32Å; D177-A181 PolarHBondContact O-N 3.1Å; W179-A181 PolarHBondContact O-N 2.99Å; A181-L185 WeakPolarHBondContact O-CB 3.36Å; A181-L185 PolarHBondContact O-N 3.46Å
182	M	77.8	Confident	76	Confident	91 Å²	91	110.8 Å²	110.8	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-63.5	-48.6	174.5	-94.1	-104	48.7	0	0	112.3	H178 W179 L180 L184 L185 E186	H178-M182 WeakPolarHBondContact O-CB 3.29Å; H178-M182 PolarHBondContact O-N 3.06Å; W179-M182 WeakPolarHBondContact O-CB 3.33Å; W179-M182 PolarHBondContact O-N 3.38Å; L180-M182 VanDerWaalsContact C-N 3.32Å; L180-M182 PolarHBondContact O-N 3.5Å; M182-L184 VanDerWaalsContact C-N 3.33Å; M182-L184 PolarHBondContact O-N 2.86Å; M182-L185 PolarHBondContact O-N 3.47Å; M182-E186 PolarHBondContact O-N 2.77Å
183	Q	82.4	Confident	77	Confident	88 Å²	88	115.5 Å²	115.5	41%	0.411	58%	0.575	S	S	.	*	H	α-helix	trans	-59	-44.9	177.5	-68.2	-163.2	-85	0	0	111.8	W179 L180 L185 E186 E187	W179-Q183 HydrophobicContact CD2-CG 4.38Å; W179-Q183 HydrophobicContact CH2-CG 4.3Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.41Å; W179-Q183 HydrophobicContact CZ2-CG 3.77Å; W179-Q183 PolarHBondContact O-N 2.72Å; L180-Q183 PolarHBondContact O-N 2.86Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 2.7Å; Q183-E186 PolarHBondContact O-N 2.79Å; Q183-E186 VanDerWaalsContact O-N 3.13Å; Q183-E187 PolarHBondContact O-N 2.69Å
184	L	86.2	Confident	78	Confident	122 Å²	122	116.4 Å²	116.4	64%	0.639	58%	0.577	S	S	*	*	H	α-helix	trans	-70.7	-28.6	-176.3	-149.5	144.5	0	0	0	112.3	L180 M182 R188	L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 PolarHBondContact O-N 2.78Å; L180-L184 VanDerWaalsContact O-N 3.08Å; M182-L184 VanDerWaalsContact C-N 3.33Å; M182-L184 PolarHBondContact O-N 2.86Å; L184-R188 WeakPolarHBondContact O-CB 3.13Å; L184-R188 PolarHBondContact O-N 2.62Å
185	L	84.5	Confident	79.2	Confident	114 Å²	114	118.5 Å²	118.5	60%	0.597	59%	0.585	S	S	*	*	H	α-helix	trans	-71	-39.1	169.5	-166	73.8	0	0	0	111.8	A181 M182 Q183 R188 S189	A181-L185 WeakPolarHBondContact O-CB 3.36Å; A181-L185 PolarHBondContact O-N 3.46Å; M182-L185 PolarHBondContact O-N 3.47Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 2.7Å; L185-R188 PolarHBondContact O-N 3.34Å; L185-S189 PolarHBondContact O-N 3.35Å
186	E	85	Confident	79.7	Confident	118 Å²	118	116.5 Å²	116.5	55%	0.551	58%	0.577	S	S	*	*	H	α-helix	trans	-68.9	-44.4	179	-172.1	160.9	-155.6	0	0	112	M182 Q183 R188 S189 I190	M182-E186 PolarHBondContact O-N 2.77Å; Q183-E186 PolarHBondContact O-N 2.79Å; Q183-E186 VanDerWaalsContact O-N 3.13Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.87Å; E186-S189 WeakPolarHBondContact O-CA 3.25Å; E186-S189 WeakPolarHBondContact O-CB 3.19Å; E186-S189 PolarHBondContact O-N 3.5Å; E186-S189 PolarHBondContact O-OG 3.3Å; E186-I190 HydrophobicContact CG-CD1 4.31Å; E186-I190 WeakPolarHBondContact O-CG1 3.36Å; E186-I190 PolarHBondContact O-N 2.84Å
187	E	87.1	Confident	79.3	Confident	137 Å²	137	116.7 Å²	116.7	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-55.2	-46.2	170.7	-73.3	-169.6	157.2	0	0	111.8	Q183 S189 I190 A191	Q183-E187 PolarHBondContact O-N 2.69Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 2.7Å; E187-I190 PolarHBondContact O-N 2.69Å; E187-A191 WeakPolarHBondContact O-CB 3.28Å; E187-A191 PolarHBondContact O-N 2.8Å
188	R	85	Confident	78.7	Confident	170 Å²	170	117 Å²	117	64%	0.642	58%	0.579	S	S	*	*	H	α-helix	trans	-62.8	-36	176.1	-177.6	175.6	176.1	178.4	-1.5	112.1	L184 L185 E186 A191 L192	L184-R188 WeakPolarHBondContact O-CB 3.13Å; L184-R188 PolarHBondContact O-N 2.62Å; L185-R188 PolarHBondContact O-N 3.34Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.87Å; R188-A191 PolarHBondContact O-N 3.11Å; R188-L192 HydrophobicContact CG-CD1 4.09Å; R188-L192 WeakPolarHBondContact O-CB 3.36Å; R188-L192 WeakPolarHBondContact O-CG 3.45Å; R188-L192 PolarHBondContact O-N 3.1Å
189	S	81.5	Confident	78.5	Confident	60 Å²	60	118.9 Å²	118.9	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-65	-41.2	176	85.6	0	0	0	0	111.7	L185 E186 E187 L192 R193	L185-S189 PolarHBondContact O-N 3.35Å; E186-S189 WeakPolarHBondContact O-CA 3.25Å; E186-S189 WeakPolarHBondContact O-CB 3.19Å; E186-S189 PolarHBondContact O-N 3.5Å; E186-S189 PolarHBondContact O-OG 3.3Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 2.7Å; S189-L192 PolarHBondContact O-N 3.25Å; S189-R193 WeakPolarHBondContact O-CB 3.26Å; S189-R193 PolarHBondContact O-N 3.45Å; S189-R193 VanDerWaalsContact O-N 3.09Å
190	I	82.4	Confident	77.4	Confident	103 Å²	103	117.1 Å²	117.1	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-43.7	177.5	-66.5	164.7	0	0	0	110.1	E186 E187 L192 R193	E186-I190 HydrophobicContact CG-CD1 4.31Å; E186-I190 WeakPolarHBondContact O-CG1 3.36Å; E186-I190 PolarHBondContact O-N 2.84Å; E187-I190 PolarHBondContact O-N 2.69Å; I190-L192 VanDerWaalsContact C-N 3.33Å; I190-L192 PolarHBondContact O-N 3.24Å; I190-R193 WeakPolarHBondContact O-CB 3.47Å; I190-R193 PolarHBondContact O-N 2.94Å
191	A	84.4	Confident	76.9	Confident	63 Å²	63	118.9 Å²	118.9	52%	0.521	61%	0.608	S	S	.	*	H	α-helix	trans	-64.9	-32	177.8	0	0	0	0	0	113.6	E187 R188 S194 Y195	E187-A191 WeakPolarHBondContact O-CB 3.28Å; E187-A191 PolarHBondContact O-N 2.8Å; R188-A191 PolarHBondContact O-N 3.11Å; A191-S194 PolarHBondContact O-OG 2.84Å; A191-Y195 WeakPolarHBondContact O-CD2 3.29Å
192	L	82.9	Confident	75.6	Confident	86 Å²	86	122.6 Å²	122.6	45%	0.45	63%	0.625	S	S	.	*	H	α-helix	trans	-79.5	-22.8	174.7	-78.8	167	0	0	0	113.4	R188 S189 I190 S194 Y195 V196	R188-L192 HydrophobicContact CG-CD1 4.09Å; R188-L192 WeakPolarHBondContact O-CB 3.36Å; R188-L192 WeakPolarHBondContact O-CG 3.45Å; R188-L192 PolarHBondContact O-N 3.1Å; S189-L192 PolarHBondContact O-N 3.25Å; I190-L192 VanDerWaalsContact C-N 3.33Å; I190-L192 PolarHBondContact O-N 3.24Å; L192-S194 PolarHBondContact O-N 2.7Å; L192-S194 VanDerWaalsContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-V196 PolarHBondContact O-N 2.94Å
193	R	77.2	Confident	74.9	Confident	206 Å²	206	124.1 Å²	124.1	78%	0.777	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-20.5	-172	-146.8	173.2	-171.6	168.7	3.3	114.5	S189 I190	S189-R193 WeakPolarHBondContact O-CB 3.26Å; S189-R193 PolarHBondContact O-N 3.45Å; S189-R193 VanDerWaalsContact O-N 3.09Å; I190-R193 WeakPolarHBondContact O-CB 3.47Å; I190-R193 PolarHBondContact O-N 2.94Å
194	S	77.2	Confident	74	Confident	96 Å²	96	125 Å²	125	67%	0.671	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-15.9	174.7	53.2	0	0	0	0	114.2	A191 L192	A191-S194 PolarHBondContact O-OG 2.84Å; L192-S194 PolarHBondContact O-N 2.7Å; L192-S194 VanDerWaalsContact O-N 3.12Å
195	Y	77.8	Confident	72.7	Confident	196 Å²	196	126.3 Å²	126.3	77%	0.769	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-19.3	-179	-66	-81.8	0	0	0	113.4	A191 L192	A191-Y195 WeakPolarHBondContact O-CD2 3.29Å; L192-Y195 PolarHBondContact O-N 3.36Å
196	V	70	Confident	72	Confident	81 Å²	81	126.7 Å²	126.7	49%	0.491	65%	0.652	S	S	.	*			trans	-114.6	90.2	-176.8	-166.1	0	0	0	0	110	L192 L198	L192-V196 PolarHBondContact O-N 2.94Å; V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 3.87Å; V196-L198 PolarHBondContact O-N 3.45Å; V196-L198 VanDerWaalsContact O-N 3.13Å
197	Q	63.1	Low	71.3	Confident	172 Å²	172	125.4 Å²	125.4	80%	0.804	66%	0.655	S	S	*	*			trans	-74.2	98.4	168.4	-176.1	172.4	-18.7	0	0	108.9
198	L	62.2	Low	70.2	Confident	135 Å²	135	122.3 Å²	122.3	71%	0.707	64%	0.642	S	S	*	*			trans	-87.5	109.8	173.8	-64.7	176	0	0	0	109.9	V196 C200	V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 3.87Å; V196-L198 PolarHBondContact O-N 3.45Å; V196-L198 VanDerWaalsContact O-N 3.13Å; L198-C200 PolarHBondContact O-N 3.41Å
199	D	66.9	Low	69.1	Low	139 Å²	139	117.8 Å²	117.8	74%	0.743	64%	0.635	S	S	*	*			trans	-77.7	116.4	164.1	-72.2	-32	0	0	0	109
200	C	50.5	Low	68.2	Low	118 Å²	118	121.5 Å²	121.5	80%	0.797	66%	0.658	S	S	*	*			trans	-91.1	101.1	-179.3	-77.4	0	0	0	0	111.8	L198	L198-C200 PolarHBondContact O-N 3.41Å
201	E	68.8	Low	67.1	Low	141 Å²	141	120 Å²	120	66%	0.659	65%	0.651	S	S	*	*			trans	-85.5	122	163.1	-68.5	-163.5	174.8	0	0	111.1	Y203	E201-Y203 HydrophobicContact CB-CE1 3.95Å; E201-Y203 HydrophobicContact CB-CE2 4.27Å; E201-Y203 VanDerWaalsContact OE2-CE1 3.29Å; E201-Y203 WeakPolarHBondContact OE2-CE1 3.46Å; E201-Y203 VanDerWaalsContact OE2-CZ 3.27Å; E201-Y203 PolarHBondContact OE2-OH 2.96Å
202	T	54.3	Low	66.2	Low	139 Å²	139	124.8 Å²	124.8	85%	0.853	66%	0.663	S	S	*	*			trans	-91.2	103.3	176.4	52.2	0	0	0	0	111.4
203	Y	63.8	Low	65.1	Low	123 Å²	123	129.3 Å²	129.3	48%	0.482	68%	0.681	S	S	.	*			trans	-86.5	142.7	171.2	-49.4	-60.6	0	0	0	111.5	E201 Y220	E201-Y203 HydrophobicContact CB-CE1 3.95Å; E201-Y203 HydrophobicContact CB-CE2 4.27Å; E201-Y203 VanDerWaalsContact OE2-CE1 3.29Å; E201-Y203 WeakPolarHBondContact OE2-CE1 3.46Å; E201-Y203 VanDerWaalsContact OE2-CZ 3.27Å; E201-Y203 PolarHBondContact OE2-OH 2.96Å; Y203-Y220 HydrophobicContact CE2-CE1 4.4Å
204	N	62.2	Low	64.3	Low	107 Å²	107	126.7 Å²	126.7	57%	0.572	68%	0.678	S	S	*	*			trans	-75.7	128.7	168.1	-176.7	-19	0	0	0	108.7	C206 S207	N204-C206 PolarHBondContact O-N 3.3Å; N204-C206 VanDerWaalsContact O-N 3.11Å; N204-C206 PolarHBondContact OD1-N 2.89Å; N204-S207 VanDerWaalsContact O-CB 3.26Å; N204-S207 WeakPolarHBondContact O-CB 3.36Å; N204-S207 PolarHBondContact O-N 2.87Å; N204-S207 PolarHBondContact O-OG 2.76Å
205	L	60.1	Low	63.9	Low	149 Å²	149	124.4 Å²	124.4	78%	0.78	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-55.6	-34	-175	-151.7	79.4	0	0	0	112.7	S207 I208	L205-S207 PolarHBondContact O-N 2.91Å; L205-I208 PolarHBondContact O-N 2.87Å
206	C	70.6	Confident	63.3	Low	122 Å²	122	116.9 Å²	116.9	82%	0.824	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-73.6	-6.4	178.8	-59.3	0	0	0	0	114.4	N204	N204-C206 PolarHBondContact O-N 3.3Å; N204-C206 VanDerWaalsContact O-N 3.11Å; N204-C206 PolarHBondContact OD1-N 2.89Å
207	S	69.4	Low	63.2	Low	90 Å²	90	118.9 Å²	118.9	63%	0.629	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-88.4	-14.3	177.3	-57.2	0	0	0	0	113.5	N204 L205	N204-S207 VanDerWaalsContact O-CB 3.26Å; N204-S207 WeakPolarHBondContact O-CB 3.36Å; N204-S207 PolarHBondContact O-N 2.87Å; N204-S207 PolarHBondContact O-OG 2.76Å; L205-S207 PolarHBondContact O-N 2.91Å
208	I	63.8	Low	63.4	Low	72 Å²	72	117.9 Å²	117.9	37%	0.369	63%	0.627	S	S	.	*	S	Bend	trans	-94.4	116.5	-172.9	-52.7	176.6	0	0	0	108.4	L205	L205-I208 PolarHBondContact O-N 2.87Å
209	P	62.5	Low	63.8	Low	76 Å²	76	119.1 Å²	119.1	49%	0.494	62%	0.624	S	S	.	*			trans	-66.1	145.8	172.3	28.4	-33.5	0	0	0	110.2	N211	P209-N211 PolarHBondContact O-N 2.68Å
210	P	62.8	Low	63.8	Low	138 Å²	138	116.7 Å²	116.7	90%	0.896	61%	0.605	S	S	*	*			trans	-69.7	92.8	178.6	28.9	-34.3	0	0	0	110.2
211	N	59.6	Low	64.5	Low	71 Å²	71	112 Å²	112	38%	0.38	57%	0.574	S	S	.	*			trans	-108.9	148.2	-176.5	-76.5	4.4	0	0	0	110.2	P209 S215 T216	P209-N211 PolarHBondContact O-N 2.68Å; N211-S215 WeakPolarHBondContact CB-OG 3.46Å; N211-T216 VanDerWaalsContact CB-OG1 3.3Å; N211-T216 WeakPolarHBondContact CB-OG1 3.43Å
212	E	65.2	Low	64.3	Low	164 Å²	164	115.8 Å²	115.8	77%	0.766	58%	0.582	S	S	*	*			trans	-65.3	147.6	170.7	-64.6	174	147.1	0	0	109.9	E214 S215 T216	E212-E214 PolarHBondContact O-N 2.64Å; E212-S215 PolarHBondContact N-OG 2.87Å; E212-S215 WeakPolarHBondContact O-CA 3.26Å; E212-S215 PolarHBondContact O-N 2.72Å; E212-S215 PolarHBondContact O-OG 3.25Å; E212-T216 PolarHBondContact O-N 3.09Å; E212-T216 PolarHBondContact O-OG1 3.36Å
213	E	59.4	Low	65	Low	180 Å²	180	112.8 Å²	112.8	84%	0.841	57%	0.571	S	S	*	*	H	α-helix	trans	-56.7	-45	-167.2	-64.2	-174.3	142.5	0	0	113.1	S215 T216 F217	E213-S215 PolarHBondContact O-N 2.84Å; E213-T216 WeakPolarHBondContact O-CB 3.41Å; E213-T216 PolarHBondContact O-N 3.19Å; E213-F217 PolarHBondContact O-N 3.06Å; E213-F217 VanDerWaalsContact O-N 3.08Å
214	E	60.9	Low	65	Low	152 Å²	152	110.5 Å²	110.5	71%	0.71	58%	0.578	S	S	*	*	H	α-helix	trans	-58.2	-47.1	173.8	-70.4	-164.4	110.6	0	0	112.2	E212 T216 F217 W218	E212-E214 PolarHBondContact O-N 2.64Å; E214-T216 PolarHBondContact O-N 3.07Å; E214-F217 PolarHBondContact O-N 3.41Å; E214-F217 VanDerWaalsContact O-N 3.16Å; E214-W218 PolarHBondContact O-N 2.86Å
215	S	67.4	Low	65	Low	47 Å²	47	108.3 Å²	108.3	33%	0.329	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-28.8	-179.4	75.3	0	0	0	0	112.3	N211 E212 E213 Y219	N211-S215 WeakPolarHBondContact CB-OG 3.46Å; E212-S215 PolarHBondContact N-OG 2.87Å; E212-S215 WeakPolarHBondContact O-CA 3.26Å; E212-S215 PolarHBondContact O-N 2.72Å; E212-S215 PolarHBondContact O-OG 3.25Å; E213-S215 PolarHBondContact O-N 2.84Å; S215-Y219 WeakPolarHBondContact O-CB 3.45Å; S215-Y219 PolarHBondContact O-N 3.37Å
216	T	65.4	Low	64.8	Low	38 Å²	38	104.8 Å²	104.8	23%	0.233	57%	0.565	C	S	.	*	H	α-helix	trans	-70	-48.5	173.5	-54.6	0	0	0	0	110.9	N211 E212 E213 E214 W218 Y219 Y220	N211-T216 VanDerWaalsContact CB-OG1 3.3Å; N211-T216 WeakPolarHBondContact CB-OG1 3.43Å; E212-T216 PolarHBondContact O-N 3.09Å; E212-T216 PolarHBondContact O-OG1 3.36Å; E213-T216 WeakPolarHBondContact O-CB 3.41Å; E213-T216 PolarHBondContact O-N 3.19Å; E214-T216 PolarHBondContact O-N 3.07Å; T216-W218 VanDerWaalsContact C-N 3.34Å; T216-W218 PolarHBondContact O-N 2.86Å; T216-Y219 PolarHBondContact O-N 2.83Å; T216-Y220 HydrophobicContact CG2-CD2 3.89Å; T216-Y220 HydrophobicContact CG2-CE2 3.81Å; T216-Y220 WeakPolarHBondContact O-CD2 3.39Å; T216-Y220 PolarHBondContact O-N 2.85Å; T216-Y220 VanDerWaalsContact O-N 3.1Å
217	F	67.5	Low	64.1	Low	123 Å²	123	107.4 Å²	107.4	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-56.8	-45.9	174.1	176	-96.3	0	0	0	112.2	E213 E214 Y219 Y220 S221	E213-F217 PolarHBondContact O-N 3.06Å; E213-F217 VanDerWaalsContact O-N 3.08Å; E214-F217 PolarHBondContact O-N 3.41Å; E214-F217 VanDerWaalsContact O-N 3.16Å; F217-Y219 PolarHBondContact O-N 2.74Å; F217-Y220 PolarHBondContact O-N 3.13Å; F217-S221 WeakPolarHBondContact O-CB 3.16Å; F217-S221 PolarHBondContact O-N 2.79Å; F217-S221 PolarHBondContact O-OG 2.88Å
218	W	68.1	Low	63.6	Low	151 Å²	151	109.2 Å²	109.2	57%	0.572	56%	0.563	S	S	*	*	H	α-helix	trans	-66.2	-34	178	-69.6	120.5	0	0	0	113.2	E214 T216 R222	E214-W218 PolarHBondContact O-N 2.86Å; T216-W218 VanDerWaalsContact C-N 3.34Å; T216-W218 PolarHBondContact O-N 2.86Å; W218-R222 VanDerWaalsContact O-CB 3.27Å; W218-R222 WeakPolarHBondContact O-CB 3.35Å; W218-R222 PolarHBondContact O-N 2.7Å
219	Y	69.7	Low	63.1	Low	161 Å²	161	115 Å²	115	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-50.6	175.3	-173.5	-95.8	0	0	0	111.5	S215 T216 F217 R222 A223	S215-Y219 WeakPolarHBondContact O-CB 3.45Å; S215-Y219 PolarHBondContact O-N 3.37Å; T216-Y219 PolarHBondContact O-N 2.83Å; F217-Y219 PolarHBondContact O-N 2.74Å; Y219-R222 PolarHBondContact O-N 2.87Å; Y219-A223 PolarHBondContact O-N 2.66Å
220	Y	66.9	Low	62.9	Low	88 Å²	88	116.7 Å²	116.7	35%	0.345	60%	0.598	S	S	.	*	H	α-helix	trans	-69.5	-40.8	-179.6	-76.9	-76.1	0	0	0	113.1	Y203 T216 F217 R222 A223 A224	Y203-Y220 HydrophobicContact CE2-CE1 4.4Å; T216-Y220 HydrophobicContact CG2-CD2 3.89Å; T216-Y220 HydrophobicContact CG2-CE2 3.81Å; T216-Y220 WeakPolarHBondContact O-CD2 3.39Å; T216-Y220 PolarHBondContact O-N 2.85Å; T216-Y220 VanDerWaalsContact O-N 3.1Å; F217-Y220 PolarHBondContact O-N 3.13Å; Y220-R222 PolarHBondContact O-N 2.85Å; Y220-A223 PolarHBondContact O-N 3.27Å; Y220-A223 VanDerWaalsContact O-N 3.14Å; Y220-A224 WeakPolarHBondContact O-CB 3.45Å; Y220-A224 PolarHBondContact O-N 3.07Å
221	S	65.9	Low	62.7	Low	20 Å²	20	117.9 Å²	117.9	14%	0.14	60%	0.596	C	S	.	*	H	α-helix	trans	-59.4	-36	175.9	-59	0	0	0	0	112.3	F217 V226	F217-S221 WeakPolarHBondContact O-CB 3.16Å; F217-S221 PolarHBondContact O-N 2.79Å; F217-S221 PolarHBondContact O-OG 2.88Å; S221-V226 PolarHBondContact O-N 2.91Å; S221-V226 VanDerWaalsContact O-N 3.12Å
222	R	65.1	Low	63.1	Low	220 Å²	220	122.3 Å²	122.3	83%	0.83	62%	0.615	S	S	*	*	H	α-helix	trans	-76.7	-32.5	177.3	-156.6	176.2	-151.8	159.6	7.6	112.7	W218 Y219 Y220	W218-R222 VanDerWaalsContact O-CB 3.27Å; W218-R222 WeakPolarHBondContact O-CB 3.35Å; W218-R222 PolarHBondContact O-N 2.7Å; Y219-R222 PolarHBondContact O-N 2.87Å; Y220-R222 PolarHBondContact O-N 2.85Å
223	A	68.5	Low	63	Low	76 Å²	76	119.4 Å²	119.4	63%	0.628	61%	0.608	S	S	*	*	H	α-helix	trans	-70	-36.1	172.6	0	0	0	0	0	112.4	Y219 Y220 G225	Y219-A223 PolarHBondContact O-N 2.66Å; Y220-A223 PolarHBondContact O-N 3.27Å; Y220-A223 VanDerWaalsContact O-N 3.14Å; A223-G225 PolarHBondContact O-N 3.09Å
224	A	65	Low	63.4	Low	75 Å²	75	112.8 Å²	112.8	62%	0.62	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	4.3	176.5	0	0	0	0	0	114.3	Y220 V226	Y220-A224 WeakPolarHBondContact O-CB 3.45Å; Y220-A224 PolarHBondContact O-N 3.07Å; A224-V226 HydrophobicContact CB-CG2 4.05Å; A224-V226 PolarHBondContact O-N 2.95Å
225	G	60.5	Low	63.8	Low	61 Å²	61	111.6 Å²	111.6	63%	0.629	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.6	20.9	174.9	0	0	0	0	0	115.4	A223 E227	A223-G225 PolarHBondContact O-N 3.09Å; G225-E227 PolarHBondContact O-N 3.47Å; G225-E227 VanDerWaalsContact O-N 3.15Å
226	V	57.3	Low	63.8	Low	76 Å²	76	114 Å²	114	46%	0.461	60%	0.596	S	S	.	*			trans	-81.3	95.3	-173.8	-164.9	0	0	0	0	111.3	S221 A224 H228	S221-V226 PolarHBondContact O-N 2.91Å; S221-V226 VanDerWaalsContact O-N 3.12Å; A224-V226 HydrophobicContact CB-CG2 4.05Å; A224-V226 PolarHBondContact O-N 2.95Å; V226-H228 PolarHBondContact O-N 2.97Å
227	E	55.3	Low	64	Low	176 Å²	176	118.6 Å²	118.6	82%	0.822	62%	0.619	S	S	*	*			trans	-74.5	102.7	170	-75	-159.1	151.5	0	0	111.8	G225 K229	G225-E227 PolarHBondContact O-N 3.47Å; G225-E227 VanDerWaalsContact O-N 3.15Å; E227-K229 PolarHBondContact O-N 2.72Å
228	H	58	Low	64	Low	128 Å²	128	117.3 Å²	117.3	59%	0.593	62%	0.621	S	S	*	*			trans	-78.8	116.5	167.6	-85.2	-112.3	0	0	0	111.6	V226 C230	V226-H228 PolarHBondContact O-N 2.97Å; H228-C230 PolarHBondContact O-N 3.05Å
229	K	53.3	Low	64.4	Low	193 Å²	193	117.3 Å²	117.3	84%	0.839	63%	0.632	S	S	*	*			trans	-91.3	91.2	165.4	-87.6	178.6	175.8	166.5	0	110.7	E227 L231	E227-K229 PolarHBondContact O-N 2.72Å; K229-L231 PolarHBondContact O-N 3.49Å
230	C	59.7	Low	64.4	Low	113 Å²	113	117.8 Å²	117.8	76%	0.764	64%	0.638	S	S	*	*			trans	-82	108.9	172.3	-53.8	0	0	0	0	110.2	H228	H228-C230 PolarHBondContact O-N 3.05Å
231	L	58.6	Low	64.9	Low	162 Å²	162	121.7 Å²	121.7	85%	0.848	67%	0.665	S	S	*	*			trans	-103.2	108.6	159.8	-81.3	165.4	0	0	0	107.1	K229 T233	K229-L231 PolarHBondContact O-N 3.49Å; L231-T233 PolarHBondContact O-N 3.42Å
232	Q	66.7	Low	65.2	Low	164 Å²	164	126.3 Å²	126.3	77%	0.766	69%	0.692	S	S	*	*			trans	-73.8	115.9	175.3	-170.8	175.3	16.8	0	0	108.8	D236	Q232-D236 WeakPolarHBondContact CG-OD2 3.42Å; Q232-D236 PolarHBondContact NE2-OD2 2.97Å
233	T	64.2	Low	65.7	Low	103 Å²	103	125.2 Å²	125.2	63%	0.632	70%	0.697	S	S	*	*			trans	-90.1	-19.6	-179.1	54.7	0	0	0	0	112.9	L231 D235	L231-T233 PolarHBondContact O-N 3.42Å; T233-D235 VanDerWaalsContact C-N 3.28Å; T233-D235 WeakPolarHBondContact CB-OD2 3.28Å; T233-D235 PolarHBondContact OG1-OD2 3.33Å
234	G	67.1	Low	66	Low	41 Å²	41	127.4 Å²	127.4	42%	0.423	70%	0.702	S	S	.	*	S	Bend	trans	87.2	-7.2	-175.1	0	0	0	0	0	113.5	D236 N237	G234-D236 VanDerWaalsContact CA-OD1 3.22Å; G234-D236 WeakPolarHBondContact CA-OD1 3.25Å; G234-D236 PolarHBondContact N-OD1 3.08Å; G234-D236 PolarHBondContact O-N 3.36Å; G234-N237 PolarHBondContact O-N 2.7Å; G234-N237 VanDerWaalsContact O-N 3.12Å
235	D	69	Low	66.6	Low	128 Å²	128	128.1 Å²	128.1	68%	0.684	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-17.3	168.7	-56.6	-61.8	0	0	0	111.8	T233 N237	T233-D235 VanDerWaalsContact C-N 3.28Å; T233-D235 WeakPolarHBondContact CB-OD2 3.28Å; T233-D235 PolarHBondContact OG1-OD2 3.33Å; D235-N237 PolarHBondContact O-N 3.23Å
236	D	68.5	Low	67.5	Low	97 Å²	97	130.4 Å²	130.4	52%	0.519	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	-13.9	172.9	43.1	-59.7	0	0	0	114.1	Q232 G234 V238	Q232-D236 WeakPolarHBondContact CG-OD2 3.42Å; Q232-D236 PolarHBondContact NE2-OD2 2.97Å; G234-D236 VanDerWaalsContact CA-OD1 3.22Å; G234-D236 WeakPolarHBondContact CA-OD1 3.25Å; G234-D236 PolarHBondContact N-OD1 3.08Å; G234-D236 PolarHBondContact O-N 3.36Å; D236-V238 VanDerWaalsContact C-N 3.29Å; D236-V238 PolarHBondContact O-N 3.02Å
237	N	69.6	Low	68.5	Low	134 Å²	134	131.7 Å²	131.7	72%	0.717	72%	0.724	S	S	*	*			trans	-83.5	66.1	175.1	-166.3	93.6	0	0	0	112.4	G234 D235	G234-N237 PolarHBondContact O-N 2.7Å; G234-N237 VanDerWaalsContact O-N 3.12Å; D235-N237 PolarHBondContact O-N 3.23Å
238	V	68.2	Low	69.7	Low	97 Å²	97	132.2 Å²	132.2	59%	0.588	72%	0.724	S	S	*	*			trans	-115.1	112.8	169.6	-179.4	0	0	0	0	109.2	D236 K240	D236-V238 VanDerWaalsContact C-N 3.29Å; D236-V238 PolarHBondContact O-N 3.02Å; V238-K240 PolarHBondContact O-N 2.93Å; V238-K240 VanDerWaalsContact O-N 3.11Å
239	D	75.8	Confident	70.8	Confident	150 Å²	150	134 Å²	134	80%	0.802	74%	0.735	S	S	*	*			trans	-59.2	114.3	172.7	-66.9	-53	0	0	0	109.9
240	K	68.5	Low	72.1	Confident	171 Å²	171	131.4 Å²	131.4	74%	0.743	73%	0.726	S	S	*	*			trans	-112.4	92.7	176.2	-77.8	-174.7	178.2	176	0	110.2	V238 T242	V238-K240 PolarHBondContact O-N 2.93Å; V238-K240 VanDerWaalsContact O-N 3.11Å; K240-T242 PolarHBondContact O-N 3.02Å; K240-T242 PolarHBondContact O-OG1 3.12Å
241	D	77.4	Confident	73.2	Confident	170 Å²	170	129.4 Å²	129.4	91%	0.909	73%	0.725	S	S	*	*			trans	-53.4	114.8	163.7	-70.9	-42	0	0	0	109.1
242	T	72.9	Confident	74.2	Confident	117 Å²	117	130 Å²	130	72%	0.718	72%	0.72	S	S	*	*			trans	-110.2	91.3	-176.3	-57.9	0	0	0	0	108.1	K240 T244	K240-T242 PolarHBondContact O-N 3.02Å; K240-T242 PolarHBondContact O-OG1 3.12Å; T242-T244 PolarHBondContact O-N 3Å
243	E	75.5	Confident	74.8	Confident	198 Å²	198	131.5 Å²	131.5	93%	0.925	73%	0.727	S	S	*	*			trans	-77.2	92.7	-178.8	-166.4	168.6	-132.9	0	0	110.3	A245	E243-A245 PolarHBondContact O-N 2.93Å
244	T	75.7	Confident	75.6	Confident	122 Å²	122	132.5 Å²	132.5	75%	0.748	73%	0.733	S	S	*	*			trans	-68.3	113.7	-177.3	-49.6	0	0	0	0	111.3	T242 S246	T242-T244 PolarHBondContact O-N 3Å; T244-S246 PolarHBondContact O-N 3.33Å
245	A	77.1	Confident	75.8	Confident	89 Å²	89	139.4 Å²	139.4	74%	0.736	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-56.7	127.5	167.9	0	0	0	0	0	110.2	E243	E243-A245 PolarHBondContact O-N 2.93Å
246	S	78.4	Confident	75.7	Confident	109 Å²	109	139.1 Å²	139.1	76%	0.762	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.2	129.7	-178.6	55.1	0	0	0	0	111	T244	T244-S246 PolarHBondContact O-N 3.33Å
247	P	79.2	Confident	75.8	Confident	103 Å²	103	139.9 Å²	139.9	67%	0.669	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.7	-176	25.5	-34.6	0	0	0	111.6	M249	P247-M249 HydrophobicContact CG-CG 4.43Å; P247-M249 PolarHBondContact O-N 3.36Å
248	F	80.9	Confident	75.3	Confident	187 Å²	187	140.2 Å²	140.2	82%	0.82	76%	0.758	S	S	*	*			trans	-70.9	96.6	176.3	-173.9	-97.4	0	0	0	110.2	E250	F248-E250 HydrophobicContact CD1-CB 4.42Å; F248-E250 HydrophobicContact CE1-CB 3.96Å; F248-E250 PolarHBondContact O-N 3.43Å
249	M	81.3	Confident	74.7	Confident	167 Å²	167	141.1 Å²	141.1	82%	0.823	76%	0.764	S	S	*	*			trans	-92.2	89.7	-176.6	-72.4	-79.7	-74.7	0	0	110.9	P247	P247-M249 HydrophobicContact CG-CG 4.43Å; P247-M249 PolarHBondContact O-N 3.36Å
250	E	79.7	Confident	73.4	Confident	137 Å²	137	144.2 Å²	144.2	64%	0.64	76%	0.764	S	S	*	*			trans	-84.9	113.1	173.1	-167.7	-174.6	-159.2	0	0	111.5	F248 K252	F248-E250 HydrophobicContact CD1-CB 4.42Å; F248-E250 HydrophobicContact CE1-CB 3.96Å; F248-E250 PolarHBondContact O-N 3.43Å; E250-K252 PolarHBondContact O-N 3.37Å; E250-K252 VanDerWaalsContact O-N 3.11Å
251	G	82.7	Confident	72.6	Confident	72 Å²	72	142.9 Å²	142.9	74%	0.742	77%	0.765	S	S	*	*			trans	-77.9	90.1	177.2	0	0	0	0	0	112.7	Q253	G251-Q253 PolarHBondContact O-N 3.49Å; G251-Q253 VanDerWaalsContact O-N 3.08Å
252	K	80.7	Confident	71.4	Confident	175 Å²	175	143.1 Å²	143.1	76%	0.761	76%	0.758	S	S	*	*			trans	-65.8	106	175.5	-65.1	-169.2	178.1	-172.8	0	111.5	E250	E250-K252 PolarHBondContact O-N 3.37Å; E250-K252 VanDerWaalsContact O-N 3.11Å
253	Q	79.3	Confident	70.3	Confident	194 Å²	194	140.2 Å²	140.2	91%	0.907	75%	0.746	S	S	*	*			trans	-72.3	135.8	168.3	-70	-171.2	-15	0	0	110.4	G251	G251-Q253 PolarHBondContact O-N 3.49Å; G251-Q253 VanDerWaalsContact O-N 3.08Å
254	T	80.4	Confident	69.3	Low	124 Å²	124	135.8 Å²	135.8	76%	0.761	74%	0.736	S	S	*	*			trans	-107	136.2	166.6	53.1	0	0	0	0	109.6
255	Q	71.3	Confident	68.4	Low	186 Å²	186	134.4 Å²	134.4	87%	0.869	73%	0.727	S	S	*	*			trans	-113.8	118.4	174.1	-170.6	178.6	18.8	0	0	109.2
256	H	65.9	Low	67	Low	122 Å²	122	133.3 Å²	133.3	57%	0.565	73%	0.725	S	S	*	*			trans	-80.2	139.9	166.3	-66.4	-75.4	0	0	0	109.5	M258	H256-M258 PolarHBondContact O-N 3.12Å
257	P	70.9	Confident	65.5	Low	113 Å²	113	134.2 Å²	134.2	73%	0.734	72%	0.721	S	S	*	*			trans	-59.9	132	176.8	24	-33.1	0	0	0	110.5	V259	P257-V259 PolarHBondContact O-N 2.76Å
258	M	59.2	Low	63.9	Low	141 Å²	141	134.8 Å²	134.8	70%	0.695	73%	0.728	S	S	*	*			trans	-73.5	92.7	-163.8	-166.4	-168	-154.4	0	0	113.3	H256 R260	H256-M258 PolarHBondContact O-N 3.12Å; M258-R260 PolarHBondContact O-N 3.38Å; M258-R260 VanDerWaalsContact O-N 3.11Å
259	V	55.6	Low	62.3	Low	117 Å²	117	134.8 Å²	134.8	71%	0.709	73%	0.73	S	S	*	*			trans	-84.6	83.3	174.5	-172.3	0	0	0	0	110.7	P257	P257-V259 PolarHBondContact O-N 2.76Å
260	R	48.1	Very low	60.5	Low	215 Å²	215	132 Å²	132	81%	0.811	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.7	95.2	170.6	-70.8	-179.7	169.3	168.8	-2.2	115.8	M258 F262	M258-R260 PolarHBondContact O-N 3.38Å; M258-R260 VanDerWaalsContact O-N 3.11Å; R260-F262 WeakPolarHBondContact O-CD2 3.33Å; R260-F262 PolarHBondContact O-N 2.72Å
261	N	53	Low	58.8	Low	142 Å²	142	131 Å²	131	76%	0.759	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.2	-14.4	165.7	-59.5	13.7	0	0	0	117.2	A263	N261-A263 PolarHBondContact O-N 3.09Å; N261-A263 VanDerWaalsContact O-N 3.16Å
262	F	52.7	Low	57.1	Low	175 Å²	175	130.8 Å²	130.8	77%	0.768	73%	0.733	S	S	*	*			trans	-78.5	93.1	165.9	-69.2	-79.6	0	0	0	109.2	R260	R260-F262 WeakPolarHBondContact O-CD2 3.33Å; R260-F262 PolarHBondContact O-N 2.72Å
263	A	49.4	Very low	55.4	Low	57 Å²	57	130.5 Å²	130.5	47%	0.471	73%	0.734	S	S	.	*			trans	-69.9	144.6	159.7	0	0	0	0	0	108.9	N261 T265	N261-A263 PolarHBondContact O-N 3.09Å; N261-A263 VanDerWaalsContact O-N 3.16Å; A263-T265 WeakPolarHBondContact CB-OG1 3.31Å; A263-T265 PolarHBondContact O-N 2.84Å
264	C	53.7	Low	54.1	Low	104 Å²	104	127.6 Å²	127.6	70%	0.703	72%	0.724	S	S	*	*	S	Bend	trans	-80.3	4	174.5	-61.7	0	0	0	0	113.1
265	T	56	Low	52.8	Low	93 Å²	93	124.3 Å²	124.3	57%	0.571	71%	0.706	S	S	*	*	S	Bend	trans	-78.2	127	167.5	50.1	0	0	0	0	109.3	A263 D267	A263-T265 WeakPolarHBondContact CB-OG1 3.31Å; A263-T265 PolarHBondContact O-N 2.84Å; T265-D267 PolarHBondContact O-N 2.79Å
266	G	49.3	Very low	52.1	Low	66 Å²	66	118.7 Å²	118.7	68%	0.68	69%	0.692	S	S	*	*			trans	-72.1	23.4	-167.3	0	0	0	0	0	117.2	S268	G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 3Å; G266-S268 PolarHBondContact O-OG 3.17Å
267	D	46.2	Very low	51.6	Low	129 Å²	129	118.3 Å²	118.3	69%	0.69	69%	0.689	S	S	*	*			trans	-70.8	82.4	-173.5	-64.6	-28.2	0	0	0	111.2	T265 E269	T265-D267 PolarHBondContact O-N 2.79Å; D267-E269 PolarHBondContact O-N 3.42Å
268	S	45.2	Very low	51.1	Low	115 Å²	115	118.3 Å²	118.3	80%	0.804	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	24.8	-167.4	-61.3	0	0	0	0	114.5	G266	G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 3Å; G266-S268 PolarHBondContact O-OG 3.17Å
269	E	46.9	Very low	51.6	Low	186 Å²	186	113 Å²	113	87%	0.869	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	-9.6	-175.7	-62.5	-156	149	0	0	114.8	D267 S271	D267-E269 PolarHBondContact O-N 3.42Å; E269-S271 PolarHBondContact O-N 2.87Å
270	S	44.6	Very low	52.2	Low	110 Å²	110	114.8 Å²	114.8	77%	0.769	67%	0.666	S	S	*	*			trans	-82.9	30.3	177.2	77.8	0	0	0	0	114.1	G272	S270-G272 PolarHBondContact O-N 2.87Å
271	S	44.3	Very low	53.4	Low	115 Å²	115	111.7 Å²	111.7	80%	0.804	66%	0.661	S	S	*	*			trans	-72.5	91.9	-178.3	63.6	0	0	0	0	112.2	E269	E269-S271 PolarHBondContact O-N 2.87Å
272	G	46.8	Very low	54.1	Low	68 Å²	68	108.9 Å²	108.9	70%	0.701	64%	0.643	S	S	*	*	S	Bend	trans	112.5	-2.7	157.7	0	0	0	0	0	118	S270 I274	S270-G272 PolarHBondContact O-N 2.87Å; G272-I274 VanDerWaalsContact C-N 3.31Å; G272-I274 PolarHBondContact O-N 2.59Å
273	Q	45.7	Very low	55.2	Low	168 Å²	168	106.5 Å²	106.5	79%	0.785	63%	0.629	S	S	*	*			trans	-77.2	80.1	171.9	-74.7	-149.4	23.2	0	0	112.4	S275	Q273-S275 PolarHBondContact O-N 2.8Å
274	I	50.7	Low	56.6	Low	133 Å²	133	108.4 Å²	108.4	68%	0.682	63%	0.628	S	S	*	*			trans	-76.3	61.5	159.1	-48.6	179.5	0	0	0	108.4	G272 A276	G272-I274 VanDerWaalsContact C-N 3.31Å; G272-I274 PolarHBondContact O-N 2.59Å; I274-A276 VanDerWaalsContact C-N 3.3Å
275	S	54	Low	57.9	Low	55 Å²	55	109.3 Å²	109.3	39%	0.385	62%	0.622	S	S	.	*			trans	-81.9	-9.4	179	53.9	0	0	0	0	112.9	Q273 F277 N278	Q273-S275 PolarHBondContact O-N 2.8Å; S275-F277 PolarHBondContact O-N 3.33Å; S275-N278 WeakPolarHBondContact O-CB 3.02Å; S275-N278 PolarHBondContact O-N 3.15Å; S275-N278 VanDerWaalsContact O-N 3.15Å; S275-N278 PolarHBondContact O-ND2 2.88Å
276	A	56	Low	59.2	Low	69 Å²	69	107.2 Å²	107.2	57%	0.57	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	12.4	-179.4	0	0	0	0	0	116.2	I274 Q282	I274-A276 VanDerWaalsContact C-N 3.3Å; A276-Q282 PolarHBondContact O-OE1 2.69Å
277	F	55.9	Low	60.8	Low	114 Å²	114	110.6 Å²	110.6	50%	0.5	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.9	25.6	171.9	-83.6	-75.2	0	0	0	112.3	S275 R283 C286	S275-F277 PolarHBondContact O-N 3.33Å; F277-R283 PolarHBondContact O-NE 2.77Å; F277-R283 PolarHBondContact O-NH2 2.82Å; F277-C286 HydrophobicContact CE1-CB 4.18Å
278	N	60.2	Low	62.6	Low	112 Å²	112	110.3 Å²	110.3	60%	0.599	60%	0.599	S	S	*	*			trans	-88.3	-15.9	177.3	-76.1	-24.3	0	0	0	114.2	S275 R283	S275-N278 WeakPolarHBondContact O-CB 3.02Å; S275-N278 PolarHBondContact O-N 3.15Å; S275-N278 VanDerWaalsContact O-N 3.15Å; S275-N278 PolarHBondContact O-ND2 2.88Å; N278-R283 PolarHBondContact OD1-NH2 3.13Å
279	G	69.1	Low	64.7	Low	29 Å²	29	111.8 Å²	111.8	30%	0.299	59%	0.591	S	S	.	*			trans	-64	133.5	171.8	0	0	0	0	0	111.9	E281 Q282 R283	G279-E281 VanDerWaalsContact C-N 3.32Å; G279-E281 PolarHBondContact O-N 2.99Å; G279-Q282 VanDerWaalsContact N-OE1 3.08Å; G279-Q282 PolarHBondContact O-N 2.94Å; G279-R283 WeakPolarHBondContact O-CG 3.39Å; G279-R283 PolarHBondContact O-N 2.84Å; G279-R283 VanDerWaalsContact O-N 3.13Å
280	M	68.6	Low	66.8	Low	156 Å²	156	106.8 Å²	106.8	77%	0.768	57%	0.573	S	S	*	*	H	α-helix	trans	-62.3	-43.5	178.2	-167	-177.4	-57.7	0	0	110.9	R283 E284	M280-R283 WeakPolarHBondContact O-CB 3.31Å; M280-R283 PolarHBondContact O-N 3.49Å; M280-R283 VanDerWaalsContact O-N 3.16Å; M280-E284 WeakPolarHBondContact O-CG 3.28Å; M280-E284 PolarHBondContact O-N 2.89Å
281	E	72.9	Confident	68.5	Low	149 Å²	149	104.3 Å²	104.3	70%	0.696	56%	0.556	S	S	*	*	H	α-helix	trans	-60.8	-44.8	176.3	-60.5	175.8	166.8	0	0	112.2	G279 R283 E284 Q285	G279-E281 VanDerWaalsContact C-N 3.32Å; G279-E281 PolarHBondContact O-N 2.99Å; E281-R283 PolarHBondContact O-N 2.73Å; E281-E284 CarbonylContact O-C 3.56Å; E281-E284 WeakPolarHBondContact O-CA 3.47Å; E281-E284 WeakPolarHBondContact O-CB 3.24Å; E281-E284 PolarHBondContact O-N 3.26Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.49Å
282	Q	68.9	Low	70.4	Confident	83 Å²	83	105 Å²	105	39%	0.388	55%	0.547	S	S	.	.	H	α-helix	trans	-58.6	-38	175.3	-65.1	172.5	-35.2	0	0	111.4	A276 G279 C286	A276-Q282 PolarHBondContact O-OE1 2.69Å; G279-Q282 VanDerWaalsContact N-OE1 3.08Å; G279-Q282 PolarHBondContact O-N 2.94Å; Q282-C286 WeakPolarHBondContact O-CB 3.17Å; Q282-C286 PolarHBondContact O-N 3.06Å
283	R	75.4	Confident	72.4	Confident	126 Å²	126	103.8 Å²	103.8	48%	0.475	53%	0.53	S	S	.	.	H	α-helix	trans	-68.7	-33.2	174.1	-67.5	176.3	-179.5	-173	2.3	112.1	F277 N278 G279 M280 E281 K287	F277-R283 PolarHBondContact O-NE 2.77Å; F277-R283 PolarHBondContact O-NH2 2.82Å; N278-R283 PolarHBondContact OD1-NH2 3.13Å; G279-R283 WeakPolarHBondContact O-CG 3.39Å; G279-R283 PolarHBondContact O-N 2.84Å; G279-R283 VanDerWaalsContact O-N 3.13Å; M280-R283 WeakPolarHBondContact O-CB 3.31Å; M280-R283 PolarHBondContact O-N 3.49Å; M280-R283 VanDerWaalsContact O-N 3.16Å; E281-R283 PolarHBondContact O-N 2.73Å; R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.83Å
284	E	78.8	Confident	74.2	Confident	96 Å²	96	98.6 Å²	98.6	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-72.8	-45.4	174.6	-61.2	-126.6	132.3	0	0	112.8	M280 E281 C286 K287 K288	M280-E284 WeakPolarHBondContact O-CG 3.28Å; M280-E284 PolarHBondContact O-N 2.89Å; E281-E284 CarbonylContact O-C 3.56Å; E281-E284 WeakPolarHBondContact O-CA 3.47Å; E281-E284 WeakPolarHBondContact O-CB 3.24Å; E281-E284 PolarHBondContact O-N 3.26Å; E284-C286 VanDerWaalsContact C-N 3.31Å; E284-C286 PolarHBondContact O-N 3.01Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 2.92Å; E284-K288 WeakPolarHBondContact O-CG 3.4Å; E284-K288 PolarHBondContact O-N 3.5Å
285	Q	80.2	Confident	75.5	Confident	124 Å²	124	95.1 Å²	95.1	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-42.7	173.3	-68.5	174.5	3.3	0	0	110.7	E281 K288 F289	E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.49Å; Q285-K288 PolarHBondContact O-N 2.89Å; Q285-F289 WeakPolarHBondContact O-CB 3.42Å; Q285-F289 PolarHBondContact O-N 3.22Å
286	C	83.1	Confident	76.9	Confident	49 Å²	49	97.6 Å²	97.6	33%	0.331	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-44.3	174.3	-175.3	0	0	0	0	112.2	F277 Q282 E284 K288 F289 V290	F277-C286 HydrophobicContact CE1-CB 4.18Å; Q282-C286 WeakPolarHBondContact O-CB 3.17Å; Q282-C286 PolarHBondContact O-N 3.06Å; E284-C286 VanDerWaalsContact C-N 3.31Å; E284-C286 PolarHBondContact O-N 3.01Å; C286-K288 PolarHBondContact O-N 3.24Å; C286-F289 PolarHBondContact O-N 2.96Å; C286-V290 WeakPolarHBondContact O-CB 3.45Å; C286-V290 VanDerWaalsContact O-CG2 3.31Å; C286-V290 WeakPolarHBondContact O-CG2 3.41Å; C286-V290 PolarHBondContact O-N 3.43Å
287	K	83.7	Confident	78.4	Confident	137 Å²	137	99 Å²	99	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-57.2	-46.9	171.8	-74.3	165.9	-170.9	171.6	0	111.7	R283 E284 V290 S291	R283-K287 WeakPolarHBondContact O-CG 3.32Å; R283-K287 PolarHBondContact O-N 2.83Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 2.92Å; K287-V290 PolarHBondContact O-N 3Å; K287-S291 WeakPolarHBondContact O-CB 3.33Å; K287-S291 PolarHBondContact O-N 3.09Å; K287-S291 PolarHBondContact O-OG 3.24Å
288	K	83.8	Confident	79.5	Confident	123 Å²	123	97.7 Å²	97.7	54%	0.535	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-52.6	177	-72	171.6	-176.7	175.1	0	110.3	E284 Q285 C286 V290 S291 H292	E284-K288 WeakPolarHBondContact O-CG 3.4Å; E284-K288 PolarHBondContact O-N 3.5Å; Q285-K288 PolarHBondContact O-N 2.89Å; C286-K288 PolarHBondContact O-N 3.24Å; K288-V290 PolarHBondContact O-N 2.68Å; K288-S291 PolarHBondContact O-N 2.88Å; K288-S291 PolarHBondContact O-OG 3.13Å; K288-H292 PolarHBondContact O-N 2.97Å; K288-H292 PolarHBondContact O-ND1 2.81Å
289	F	89	Confident	80.2	Confident	145 Å²	145	102 Å²	102	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-55.8	-51.6	177	174.7	-99.1	0	0	0	112.6	Q285 C286 S291 H292 A293	Q285-F289 WeakPolarHBondContact O-CB 3.42Å; Q285-F289 PolarHBondContact O-N 3.22Å; C286-F289 PolarHBondContact O-N 2.96Å; F289-S291 VanDerWaalsContact C-N 3.28Å; F289-S291 PolarHBondContact O-N 3.45Å; F289-H292 PolarHBondContact O-N 3.42Å; F289-A293 HydrophobicContact CE1-CB 4.45Å; F289-A293 HydrophobicContact CZ-CB 4.42Å; F289-A293 VanDerWaalsContact O-CB 3.29Å; F289-A293 WeakPolarHBondContact O-CB 3.49Å; F289-A293 PolarHBondContact O-N 2.77Å
290	V	90.2	Very high	80.9	Confident	81 Å²	81	105.4 Å²	105.4	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-37.1	178.8	171.7	0	0	0	0	111.4	C286 K287 K288 S294	C286-V290 WeakPolarHBondContact O-CB 3.45Å; C286-V290 VanDerWaalsContact O-CG2 3.31Å; C286-V290 WeakPolarHBondContact O-CG2 3.41Å; C286-V290 PolarHBondContact O-N 3.43Å; K287-V290 PolarHBondContact O-N 3Å; K288-V290 PolarHBondContact O-N 2.68Å; V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.44Å; V290-S294 PolarHBondContact O-N 3.26Å; V290-S294 PolarHBondContact O-OG 3.19Å
291	S	81.9	Confident	81.5	Confident	58 Å²	58	102.5 Å²	102.5	41%	0.406	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-40.7	176.1	77.3	0	0	0	0	112.8	K287 K288 F289 S294 A295	K287-S291 WeakPolarHBondContact O-CB 3.33Å; K287-S291 PolarHBondContact O-N 3.09Å; K287-S291 PolarHBondContact O-OG 3.24Å; K288-S291 PolarHBondContact O-N 2.88Å; K288-S291 PolarHBondContact O-OG 3.13Å; F289-S291 VanDerWaalsContact C-N 3.28Å; F289-S291 PolarHBondContact O-N 3.45Å; S291-S294 PolarHBondContact O-OG 3.31Å; S291-A295 VanDerWaalsContact O-CB 3.25Å; S291-A295 WeakPolarHBondContact O-CB 3.38Å; S291-A295 PolarHBondContact O-N 3.46Å
292	H	82.8	Confident	81.4	Confident	131 Å²	131	103.1 Å²	103.1	61%	0.606	51%	0.506	S	S	*	.	H	α-helix	trans	-70.2	-45.5	175.8	-64.1	146.4	0	0	0	111.9	K288 F289 S294 A295 L296	K288-H292 PolarHBondContact O-N 2.97Å; K288-H292 PolarHBondContact O-ND1 2.81Å; F289-H292 PolarHBondContact O-N 3.42Å; H292-S294 PolarHBondContact O-N 3.06Å; H292-A295 PolarHBondContact O-N 2.94Å; H292-L296 WeakPolarHBondContact O-CB 3.4Å; H292-L296 PolarHBondContact O-N 2.93Å
293	A	89.7	Confident	81.4	Confident	42 Å²	42	102.6 Å²	102.6	35%	0.347	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-41.8	179.6	0	0	0	0	0	112	F289 L296 L297	F289-A293 HydrophobicContact CE1-CB 4.45Å; F289-A293 HydrophobicContact CZ-CB 4.42Å; F289-A293 VanDerWaalsContact O-CB 3.29Å; F289-A293 WeakPolarHBondContact O-CB 3.49Å; F289-A293 PolarHBondContact O-N 2.77Å; A293-L296 PolarHBondContact O-N 3.1Å; A293-L297 VanDerWaalsContact O-CB 3.29Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 3.23Å
294	S	83.9	Confident	81	Confident	59 Å²	59	103.5 Å²	103.5	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-69.4	-39.3	175	58.3	0	0	0	0	112.5	V290 S291 H292 L296 L297 M298	V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.44Å; V290-S294 PolarHBondContact O-N 3.26Å; V290-S294 PolarHBondContact O-OG 3.19Å; S291-S294 PolarHBondContact O-OG 3.31Å; H292-S294 PolarHBondContact O-N 3.06Å; S294-L296 PolarHBondContact O-N 2.77Å; S294-L297 PolarHBondContact O-N 2.91Å; S294-M298 WeakPolarHBondContact O-CB 3.4Å; S294-M298 VanDerWaalsContact O-CG 3.22Å; S294-M298 WeakPolarHBondContact O-CG 3.5Å; S294-M298 PolarHBondContact O-N 3.22Å
295	A	77.7	Confident	80.1	Confident	60 Å²	60	109.8 Å²	109.8	50%	0.496	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-42.1	173.2	0	0	0	0	0	112.2	S291 H292 R299	S291-A295 VanDerWaalsContact O-CB 3.25Å; S291-A295 WeakPolarHBondContact O-CB 3.38Å; S291-A295 PolarHBondContact O-N 3.46Å; H292-A295 PolarHBondContact O-N 2.94Å; A295-R299 WeakPolarHBondContact O-CB 3.31Å; A295-R299 PolarHBondContact O-N 2.82Å
296	L	84.3	Confident	79.2	Confident	107 Å²	107	106.9 Å²	106.9	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-46.4	176.4	-176.1	148.2	0	0	0	111.5	H292 A293 S294 M298 R299 L300	H292-L296 WeakPolarHBondContact O-CB 3.4Å; H292-L296 PolarHBondContact O-N 2.93Å; A293-L296 PolarHBondContact O-N 3.1Å; S294-L296 PolarHBondContact O-N 2.77Å; L296-M298 PolarHBondContact O-N 2.97Å; L296-R299 CarbonylContact O-C 3.6Å; L296-R299 WeakPolarHBondContact O-CB 3.44Å; L296-R299 PolarHBondContact O-N 3.11Å; L296-R299 VanDerWaalsContact O-N 3.12Å; L296-L300 HydrophobicContact CD2-CD1 3.63Å; L296-L300 HydrophobicContact CD2-CG 4.14Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 3.27Å
297	L	86.4	Confident	78.2	Confident	99 Å²	99	114.5 Å²	114.5	52%	0.518	56%	0.562	S	S	.	*	H	α-helix	trans	-59.9	-44.7	176	-179.4	62.4	0	0	0	111.5	A293 S294 R299 L300 I301	A293-L297 VanDerWaalsContact O-CB 3.29Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 3.23Å; S294-L297 PolarHBondContact O-N 2.91Å; L297-R299 VanDerWaalsContact C-N 3.31Å; L297-R299 PolarHBondContact O-N 2.72Å; L297-L300 PolarHBondContact O-N 2.82Å; L297-I301 HydrophobicContact CD1-CD1 4.15Å; L297-I301 HydrophobicContact CD1-CG1 4.4Å; L297-I301 HydrophobicContact CG-CD1 3.94Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 3.42Å
298	M	78.4	Confident	77.3	Confident	86 Å²	86	112.7 Å²	112.7	42%	0.424	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-33.7	175.4	-71.8	-63.5	-70.1	0	0	112.3	S294 L296 R302	S294-M298 WeakPolarHBondContact O-CB 3.4Å; S294-M298 VanDerWaalsContact O-CG 3.22Å; S294-M298 WeakPolarHBondContact O-CG 3.5Å; S294-M298 PolarHBondContact O-N 3.22Å; L296-M298 PolarHBondContact O-N 2.97Å; M298-R302 VanDerWaalsContact O-CB 3.27Å; M298-R302 WeakPolarHBondContact O-CB 3.48Å; M298-R302 WeakPolarHBondContact O-CD 3.31Å; M298-R302 WeakPolarHBondContact O-CG 3.29Å; M298-R302 PolarHBondContact O-N 2.77Å; M298-R302 VanDerWaalsContact O-N 3.09Å
299	R	75.7	Confident	76.5	Confident	203 Å²	203	112.7 Å²	112.7	77%	0.766	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-41.6	172.2	-174.3	174.2	177.4	136.2	-4.3	111.5	A295 L296 L297 S303	A295-R299 WeakPolarHBondContact O-CB 3.31Å; A295-R299 PolarHBondContact O-N 2.82Å; L296-R299 CarbonylContact O-C 3.6Å; L296-R299 WeakPolarHBondContact O-CB 3.44Å; L296-R299 PolarHBondContact O-N 3.11Å; L296-R299 VanDerWaalsContact O-N 3.12Å; L297-R299 VanDerWaalsContact C-N 3.31Å; L297-R299 PolarHBondContact O-N 2.72Å; R299-S303 VanDerWaalsContact O-CB 3.27Å; R299-S303 WeakPolarHBondContact O-CB 3.4Å; R299-S303 PolarHBondContact O-N 3Å
300	L	83.5	Confident	75.6	Confident	99 Å²	99	107 Å²	107	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-51.3	175.8	-72.4	177.4	0	0	0	111.7	L296 L297 R302 S303 Q304	L296-L300 HydrophobicContact CD2-CD1 3.63Å; L296-L300 HydrophobicContact CD2-CG 4.14Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 3.27Å; L297-L300 PolarHBondContact O-N 2.82Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 3Å; L300-S303 WeakPolarHBondContact O-CA 2.74Å; L300-S303 WeakPolarHBondContact O-CB 3.46Å; L300-S303 PolarHBondContact O-N 2.95Å; L300-S303 PolarHBondContact O-OG 3.07Å; L300-Q304 PolarHBondContact O-N 2.92Å; L300-Q304 VanDerWaalsContact O-N 3.07Å
301	I	81.1	Confident	74.8	Confident	95 Å²	95	112.6 Å²	112.6	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-56.2	-48.3	177.4	-66.9	165.5	0	0	0	110.6	L297 S303 Q304	L297-I301 HydrophobicContact CD1-CD1 4.15Å; L297-I301 HydrophobicContact CD1-CG1 4.4Å; L297-I301 HydrophobicContact CG-CD1 3.94Å; L297-I301 WeakPolarHBondContact O-CG1 3.49Å; L297-I301 PolarHBondContact O-N 3.42Å; I301-S303 PolarHBondContact O-N 3.29Å; I301-Q304 WeakPolarHBondContact O-CB 3.45Å; I301-Q304 PolarHBondContact O-N 2.87Å
302	R	70.1	Confident	74.7	Confident	162 Å²	162	114.5 Å²	114.5	61%	0.611	57%	0.565	S	S	*	*	H	α-helix	trans	-67.8	-17.9	176.7	-70.3	168	170.3	160.5	-10.6	113.9	M298 L300 D424	M298-R302 VanDerWaalsContact O-CB 3.27Å; M298-R302 WeakPolarHBondContact O-CB 3.48Å; M298-R302 WeakPolarHBondContact O-CD 3.31Å; M298-R302 WeakPolarHBondContact O-CG 3.29Å; M298-R302 PolarHBondContact O-N 2.77Å; M298-R302 VanDerWaalsContact O-N 3.09Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 3Å; R302-D424 IonicContact CZ-OD2 2.74Å; R302-D424 IonicContact NH1-OD2 3.16Å; R302-D424 IonicContact NH2-OD2 3.6Å; R302-D424 PolarHBondContact NH2-OD2 2.99Å
303	S	69.6	Low	74.6	Confident	73 Å²	73	110.1 Å²	110.1	51%	0.51	56%	0.556	S	S	.	*	H	α-helix	trans	-86.8	-23.9	176.1	79.5	0	0	0	0	113.5	R299 L300 I301 R305	R299-S303 VanDerWaalsContact O-CB 3.27Å; R299-S303 WeakPolarHBondContact O-CB 3.4Å; R299-S303 PolarHBondContact O-N 3Å; L300-S303 WeakPolarHBondContact O-CA 2.74Å; L300-S303 WeakPolarHBondContact O-CB 3.46Å; L300-S303 PolarHBondContact O-N 2.95Å; L300-S303 PolarHBondContact O-OG 3.07Å; I301-S303 PolarHBondContact O-N 3.29Å; S303-R305 PolarHBondContact O-N 2.88Å
304	Q	67.8	Low	74.2	Confident	145 Å²	145	116.8 Å²	116.8	68%	0.678	58%	0.579	S	S	*	*	S	Bend	trans	-57	137.4	-174.9	-163.6	174.7	13.4	0	0	110.6	L300 I301 S306	L300-Q304 PolarHBondContact O-N 2.92Å; L300-Q304 VanDerWaalsContact O-N 3.07Å; I301-Q304 WeakPolarHBondContact O-CB 3.45Å; I301-Q304 PolarHBondContact O-N 2.87Å; Q304-S306 VanDerWaalsContact C-N 3.27Å; Q304-S306 PolarHBondContact O-N 2.89Å
305	R	58.7	Low	74.3	Confident	227 Å²	227	115.5 Å²	115.5	86%	0.857	57%	0.57	S	S	*	*			trans	-71.1	84.9	178	-71.2	-177.6	178.7	166.9	-0.5	109.7	S303 K307	S303-R305 PolarHBondContact O-N 2.88Å; R305-K307 PolarHBondContact O-N 2.89Å
306	S	61.1	Low	74.5	Confident	63 Å²	63	119.3 Å²	119.3	44%	0.441	59%	0.588	S	S	.	*			trans	-51.1	122.9	167.8	-178.9	0	0	0	0	109.3	Q304 F308	Q304-S306 VanDerWaalsContact C-N 3.27Å; Q304-S306 PolarHBondContact O-N 2.89Å; S306-F308 PolarHBondContact O-N 2.82Å; S306-F308 VanDerWaalsContact OG-CB 3.28Å; S306-F308 WeakPolarHBondContact OG-CB 3.38Å; S306-F308 PolarHBondContact OG-N 3.05Å
307	K	62.5	Low	74.6	Confident	209 Å²	209	119.2 Å²	119.2	91%	0.909	58%	0.584	S	S	*	*			trans	-80.9	3.1	174.3	-61.2	-176.1	-179.7	-179.8	0	112	R305 V309	R305-K307 PolarHBondContact O-N 2.89Å; K307-V309 PolarHBondContact O-N 3.28Å
308	F	65.7	Low	74.5	Confident	100 Å²	100	120.6 Å²	120.6	44%	0.439	60%	0.599	S	S	.	*			trans	-70.3	111.6	-179.4	-171.3	-101.5	0	0	0	110.6	S306 P310	S306-F308 PolarHBondContact O-N 2.82Å; S306-F308 VanDerWaalsContact OG-CB 3.28Å; S306-F308 WeakPolarHBondContact OG-CB 3.38Å; S306-F308 PolarHBondContact OG-N 3.05Å; F308-P310 HydrophobicContact CE1-CB 4.33Å
309	V	66.7	Low	75	Confident	122 Å²	122	124.8 Å²	124.8	74%	0.739	62%	0.616	S	S	*	*			trans	-84.8	121	163.4	-179.4	0	0	0	0	106.8	K307 K311	K307-V309 PolarHBondContact O-N 3.28Å; V309-K311 PolarHBondContact O-N 3.26Å
310	P	70.5	Confident	75.6	Confident	27 Å²	27	117.4 Å²	117.4	18%	0.175	60%	0.595	C	S	.	*			trans	-62.5	138.6	179.1	26.2	-34.6	0	0	0	110.7	F308 L312 L379	F308-P310 HydrophobicContact CE1-CB 4.33Å; P310-L312 PolarHBondContact O-N 3.07Å; P310-L379 HydrophobicContact CB-CD1 3.75Å; P310-L379 HydrophobicContact CB-CG 4.06Å; P310-L379 HydrophobicContact CG-CD1 4.09Å
311	K	72.2	Confident	75.5	Confident	198 Å²	198	123.1 Å²	123.1	86%	0.861	62%	0.615	S	S	*	*			trans	-71.3	96.9	176.9	-68.5	-179.6	-179.3	175.3	0	109.8	V309	V309-K311 PolarHBondContact O-N 3.26Å
312	L	80.4	Confident	75.6	Confident	97 Å²	97	119 Å²	119	51%	0.508	60%	0.596	S	S	.	*			trans	-73.9	140.1	173	-57.8	179.2	0	0	0	110.5	P310 S323 A324	P310-L312 PolarHBondContact O-N 3.07Å; L312-S323 CarbonylContact C-O 3.54Å; L312-S323 WeakPolarHBondContact CA-O 3.37Å; L312-A324 HydrophobicContact CD2-CB 4.01Å
313	G	80.3	Confident	76.4	Confident	40 Å²	40	114 Å²	114	41%	0.412	59%	0.586	S	S	.	*	B	Isolated β-bridge	trans	-76.4	179.3	165.1	0	0	0	0	0	111.6	G322 S323	G313-G322 CarbonylContact O-C 3.52Å; G313-G322 WeakPolarHBondContact O-CA 3.34Å; G313-S323 PolarHBondContact N-O 3.08Å; G313-S323 PolarHBondContact O-N 2.87Å
314	H	81.6	Confident	77.1	Confident	181 Å²	181	113.2 Å²	113.2	84%	0.838	58%	0.584	S	S	*	*			trans	-66.3	141.5	176.6	-69.2	-75.8	0	0	0	112.1	S323	H314-S323 WeakPolarHBondContact O-CB 3.28Å; H314-S323 PolarHBondContact O-OG 3.46Å
315	S	85.6	Confident	77.9	Confident	33 Å²	33	111.7 Å²	111.7	23%	0.231	59%	0.589	C	S	.	*			trans	-88.4	141.6	169	178	0	0	0	0	110.3	Q317 S320	S315-Q317 PolarHBondContact OG-N 2.84Å; S315-Q317 PolarHBondContact OG-O 3.22Å; S315-S320 WeakPolarHBondContact CB-O 3.18Å; S315-S320 PolarHBondContact OG-O 2.85Å
316	T	83.3	Confident	79.2	Confident	140 Å²	140	103.1 Å²	103.1	86%	0.859	56%	0.56	S	S	*	*	S	Bend	trans	-92.1	-9	163.1	52	0	0	0	0	112.6
317	Q	85.9	Confident	80.3	Confident	104 Å²	104	103.2 Å²	103.2	49%	0.486	56%	0.561	S	S	.	*	S	Bend	trans	-94.1	131.2	-176.6	-65.4	-63.6	-19.1	0	0	111.2	S315 F319 S320	S315-Q317 PolarHBondContact OG-N 2.84Å; S315-Q317 PolarHBondContact OG-O 3.22Å; Q317-F319 HydrophobicContact CB-CD1 4.06Å; Q317-F319 HydrophobicContact CB-CE1 3.64Å; Q317-F319 HydrophobicContact CB-CE2 4.38Å; Q317-F319 HydrophobicContact CB-CZ 3.82Å; Q317-F319 HydrophobicContact CG-CE1 3.99Å; Q317-F319 HydrophobicContact CG-CZ 4.02Å; Q317-F319 PolarHBondContact O-N 3.42Å; Q317-S320 PolarHBondContact O-N 2.79Å; Q317-S320 VanDerWaalsContact O-N 3.16Å
318	P	84.5	Confident	81.5	Confident	129 Å²	129	93.4 Å²	93.4	84%	0.838	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.9	-172	27.8	-35.8	0	0	0	113.8
319	F	88.9	Confident	82.3	Confident	174 Å²	174	90.5 Å²	90.5	76%	0.763	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.8	178.5	62.8	-98.1	0	0	0	113.9	Q317	Q317-F319 HydrophobicContact CB-CD1 4.06Å; Q317-F319 HydrophobicContact CB-CE1 3.64Å; Q317-F319 HydrophobicContact CB-CE2 4.38Å; Q317-F319 HydrophobicContact CB-CZ 3.82Å; Q317-F319 HydrophobicContact CG-CE1 3.99Å; Q317-F319 HydrophobicContact CG-CZ 4.02Å; Q317-F319 PolarHBondContact O-N 3.42Å
320	S	86.9	Confident	83	Confident	47 Å²	47	90.9 Å²	90.9	33%	0.329	51%	0.514	S	S	.	.			trans	-121.2	138.3	-176.7	-175.9	0	0	0	0	112.7	S315 Q317 G322	S315-S320 WeakPolarHBondContact CB-O 3.18Å; S315-S320 PolarHBondContact OG-O 2.85Å; Q317-S320 PolarHBondContact O-N 2.79Å; Q317-S320 VanDerWaalsContact O-N 3.16Å; S320-G322 VanDerWaalsContact C-N 3.32Å; S320-G322 PolarHBondContact OG-N 2.82Å; S320-G322 PolarHBondContact OG-O 2.94Å
321	K	81.6	Confident	83.6	Confident	219 Å²	219	90.2 Å²	90.2	95%	0.952	51%	0.509	S	S	*	.	S	Bend	trans	-79	-12.6	175	-64.9	-177.8	178.9	179.3	0	113.6
322	G	84.4	Confident	84.1	Confident	8 Å²	8	81.3 Å²	81.3	8%	0.082	47%	0.473	C	S	.	.			trans	-167.5	173.9	-179.5	0	0	0	0	0	114.4	G313 S320	G313-G322 CarbonylContact O-C 3.52Å; G313-G322 WeakPolarHBondContact O-CA 3.34Å; S320-G322 VanDerWaalsContact C-N 3.32Å; S320-G322 PolarHBondContact OG-N 2.82Å; S320-G322 PolarHBondContact OG-O 2.94Å
323	S	85.9	Confident	84.3	Confident	57 Å²	57	82.7 Å²	82.7	40%	0.399	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-128.2	157.4	177.7	64.5	0	0	0	0	111.1	L312 G313 H314	L312-S323 CarbonylContact C-O 3.54Å; L312-S323 WeakPolarHBondContact CA-O 3.37Å; G313-S323 PolarHBondContact N-O 3.08Å; G313-S323 PolarHBondContact O-N 2.87Å; H314-S323 WeakPolarHBondContact O-CB 3.28Å; H314-S323 PolarHBondContact O-OG 3.46Å
324	A	85.2	Confident	84.8	Confident	58 Å²	58	86.7 Å²	86.7	48%	0.479	48%	0.478	S	S	.	.			trans	-133.8	143.1	168.8	0	0	0	0	0	108.9	L312 L379	L312-A324 HydrophobicContact CD2-CB 4.01Å; A324-L379 HydrophobicContact CB-CD1 3.66Å
325	S	83.8	Confident	85.3	Confident	112 Å²	112	80 Å²	80	78%	0.783	45%	0.451	S	S	*	.			trans	-110.5	118.9	176.9	-172.4	0	0	0	0	109.2
326	L	87	Confident	85.7	Confident	47 Å²	47	83.8 Å²	83.8	25%	0.246	46%	0.46	C	S	.	.			trans	-97.2	119.9	177.3	-51.2	-178.8	0	0	0	107.8	W374 L379	L326-W374 HydrophobicContact CB-CD2 4.15Å; L326-W374 HydrophobicContact CB-CH2 4.44Å; L326-W374 HydrophobicContact CB-CZ2 4.08Å; L326-W374 HydrophobicContact CD1-CB 4.14Å; L326-W374 HydrophobicContact CD1-CD2 4.19Å; L326-W374 HydrophobicContact CD1-CG 3.87Å; L326-W374 HydrophobicContact CD2-CD2 4.02Å; L326-W374 HydrophobicContact CD2-CE3 3.85Å; L326-W374 HydrophobicContact CD2-CG 4.41Å; L326-W374 HydrophobicContact CD2-CZ3 4.29Å; L326-W374 HydrophobicContact CG-CD2 4.34Å; L326-L379 HydrophobicContact CD2-CD2 4.07Å
327	S	83.8	Confident	86.2	Confident	66 Å²	66	80.8 Å²	80.8	46%	0.462	44%	0.441	S	S	.	.			trans	-134	137.9	-171.2	-178.4	0	0	0	0	111.6	G329 W374 W432	S327-G329 PolarHBondContact O-N 2.7Å; S327-G329 PolarHBondContact OG-N 2.86Å; S327-G329 VanDerWaalsContact OG-N 3.1Å; S327-W374 WeakPolarHBondContact O-CH2 3.36Å; S327-W432 WeakPolarHBondContact O-CH2 3.41Å
328	L	87	Confident	86.6	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.016	43%	0.431	C	S	.	.			trans	-72.3	-4.2	169.8	-66.2	-176.3	0	0	0	113.2	L330 L331 Y355 M370 L385	L328-L330 PolarHBondContact O-N 2.88Å; L328-L331 HydrophobicContact CB-CB 4.47Å; L328-L331 WeakPolarHBondContact O-CB 3.5Å; L328-L331 PolarHBondContact O-N 3.08Å; L328-Y355 HydrophobicContact CD1-CD1 3.84Å; L328-Y355 HydrophobicContact CD1-CD2 3.74Å; L328-Y355 HydrophobicContact CD1-CE1 4.17Å; L328-Y355 HydrophobicContact CD1-CE2 4.08Å; L328-Y355 HydrophobicContact CD1-CG 3.6Å; L328-Y355 HydrophobicContact CD2-CD2 4.41Å; L328-Y355 HydrophobicContact CD2-CE2 4.12Å; L328-Y355 HydrophobicContact CG-CD1 4.35Å; L328-Y355 HydrophobicContact CG-CD2 4.21Å; L328-Y355 HydrophobicContact CG-CE1 4.17Å; L328-Y355 HydrophobicContact CG-CE2 4.03Å; L328-Y355 HydrophobicContact CG-CG 4.37Å; L328-M370 HydrophobicContact CD1-CE 3.93Å; L328-M370 HydrophobicContact CD2-CE 4.08Å; L328-L385 HydrophobicContact CD2-CD2 3.96Å
329	G	83.2	Confident	87	Confident	38 Å²	38	71.9 Å²	71.9	39%	0.392	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	55.5	-129.5	-179.7	0	0	0	0	0	111.7	S327 L331 G332	S327-G329 PolarHBondContact O-N 2.7Å; S327-G329 PolarHBondContact OG-N 2.86Å; S327-G329 VanDerWaalsContact OG-N 3.1Å; G329-L331 VanDerWaalsContact C-N 3.26Å; G329-L331 PolarHBondContact O-N 3.37Å; G329-G332 CarbonylContact O-C 3.59Å; G329-G332 PolarHBondContact O-N 2.89Å
330	L	80.5	Confident	87.3	Confident	130 Å²	130	68.5 Å²	68.5	68%	0.681	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-72.1	-13	179.3	-68	178.7	0	0	0	114.2	L328 G332 A361	L328-L330 PolarHBondContact O-N 2.88Å; L330-G332 VanDerWaalsContact C-N 3.34Å; L330-A361 HydrophobicContact CB-CB 3.82Å; L330-A361 WeakPolarHBondContact O-CB 3.43Å; L330-A361 PolarHBondContact O-N 2.79Å
331	L	83.4	Confident	87.5	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-74.3	-27.1	176.8	-56.9	-175.9	0	0	0	112.7	L328 G329 S360 L362 F365 M370 L385 I430 W432	L328-L331 HydrophobicContact CB-CB 4.47Å; L328-L331 WeakPolarHBondContact O-CB 3.5Å; L328-L331 PolarHBondContact O-N 3.08Å; G329-L331 VanDerWaalsContact C-N 3.26Å; G329-L331 PolarHBondContact O-N 3.37Å; L331-S360 WeakPolarHBondContact O-CB 3.2Å; L331-S360 PolarHBondContact O-OG 3.03Å; L331-L362 HydrophobicContact CD2-CD1 3.86Å; L331-L362 HydrophobicContact CD2-CG 4.47Å; L331-F365 HydrophobicContact CD2-CD2 4.46Å; L331-F365 HydrophobicContact CD2-CE2 4.49Å; L331-M370 HydrophobicContact CB-CE 4.24Å; L331-M370 HydrophobicContact CD1-CE 4.29Å; L331-L385 HydrophobicContact CD1-CD1 3.48Å; L331-L385 VanDerWaalsContact CD1-CD1 3.48Å; L331-I430 HydrophobicContact CD1-CD1 3.43Å; L331-I430 VanDerWaalsContact CD1-CD1 3.43Å; L331-I430 HydrophobicContact CD2-CD1 3.98Å; L331-I430 HydrophobicContact CG-CD1 4.34Å; L331-W432 HydrophobicContact CD1-CE3 4.12Å; L331-W432 HydrophobicContact CD1-CZ3 3.73Å; L331-W432 HydrophobicContact CG-CZ3 4.15Å
332	G	81.9	Confident	87.9	Confident	11 Å²	11	63.5 Å²	63.5	11%	0.113	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-126.8	72	172.7	0	0	0	0	0	109.9	G329 L330 R334	G329-G332 CarbonylContact O-C 3.59Å; G329-G332 PolarHBondContact O-N 2.89Å; L330-G332 VanDerWaalsContact C-N 3.34Å; G332-R334 PolarHBondContact O-N 3.17Å
333	K	85.8	Confident	87.9	Confident	125 Å²	125	64 Å²	64	54%	0.543	37%	0.372	S	S	.	.	S	Bend	trans	-55	-40.3	173.5	-65.1	174.6	-179.5	157.5	0	110.2	E359 S360	K333-E359 HydrophobicContact CB-CB 4.22Å; K333-E359 WeakPolarHBondContact CB-O 3.17Å; K333-E359 PolarHBondContact N-O 2.62Å; K333-S360 WeakPolarHBondContact CD-O 3.07Å; K333-S360 WeakPolarHBondContact CE-O 3.35Å; K333-S360 PolarHBondContact NZ-O 2.94Å
334	R	90.1	Very high	87.7	Confident	124 Å²	124	65.2 Å²	65.2	47%	0.468	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.7	164.3	-164.4	-177.6	-58.4	132.7	16.1	108	G332 E358 E359	G332-R334 PolarHBondContact O-N 3.17Å; R334-E358 HydrophobicContact CB-CB 4.12Å; R334-E358 WeakPolarHBondContact CD-OE2 3.37Å; R334-E358 HydrophobicContact CG-CB 4.14Å; R334-E358 WeakPolarHBondContact CG-OE2 2.94Å; R334-E358 PolarHBondContact O-N 2.93Å; R334-E359 HydrophobicContact CB-CB 4Å; R334-E359 HydrophobicContact CB-CG 4.23Å; R334-E359 IonicContact CZ-OE1 2.97Å; R334-E359 IonicContact CZ-OE2 2.74Å; R334-E359 VanDerWaalsContact CZ-OE2 3.28Å; R334-E359 PolarHBondContact N-O 2.31Å; R334-E359 IonicContact NE-OE2 2.78Å; R334-E359 VanDerWaalsContact NH1-CD 3.28Å; R334-E359 IonicContact NH1-OE1 3.82Å; R334-E359 PolarHBondContact NH1-OE1 2.99Å; R334-E359 IonicContact NH1-OE2 3.7Å; R334-E359 IonicContact NH2-OE1 3.85Å; R334-E359 PolarHBondContact NH2-OE1 2.81Å; R334-E359 IonicContact NH2-OE2 3.02Å; R334-E359 PolarHBondContact NH2-OE2 2.9Å; R334-E359 PolarHBondContact O-N 3.19Å
335	C	92.2	Very high	87	Confident	41 Å²	41	65.9 Å²	65.9	28%	0.277	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.9	176.4	58.7	0	0	0	0	109.9	Y355 Q356	C335-Y355 HydrophobicContact CB-CD1 4.37Å; C335-Q356 CarbonylContact C-O 3.59Å; C335-Q356 WeakPolarHBondContact CA-O 3.49Å; C335-Q356 VanDerWaalsContact CB-O 3.26Å; C335-Q356 WeakPolarHBondContact CB-O 3.37Å
336	R	93.7	Very high	86.2	Confident	112 Å²	112	64 Å²	64	42%	0.423	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.9	171.8	172.8	166.9	55.6	75.2	0	109.3	A338 Y355 Q356 E391	R336-A338 PolarHBondContact O-N 3.16Å; R336-Y355 CarbonylContact O-C 3.43Å; R336-Y355 WeakPolarHBondContact O-CA 3.34Å; R336-Q356 PolarHBondContact N-O 2.64Å; R336-Q356 PolarHBondContact O-N 2.95Å; R336-E391 IonicContact CZ-OE1 3.53Å; R336-E391 VanDerWaalsContact CZ-OE1 3.26Å; R336-E391 IonicContact CZ-OE2 2.78Å; R336-E391 IonicContact NH1-OE1 3.8Å; R336-E391 PolarHBondContact NH1-OE1 3.44Å; R336-E391 IonicContact NH1-OE2 3.75Å; R336-E391 IonicContact NH2-OE1 2.93Å; R336-E391 PolarHBondContact NH2-OE1 3.32Å; R336-E391 IonicContact NH2-OE2 3.28Å; R336-E391 PolarHBondContact NH2-OE2 2.86Å
337	V	94.3	Very high	85.3	Confident	77 Å²	77	65.1 Å²	65.1	47%	0.467	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.1	164.6	177	0	0	0	0	107.6	T340 V353 Y355	V337-T340 HydrophobicContact CG1-CG2 3.93Å; V337-V353 HydrophobicContact CG1-CG1 3.89Å; V337-V353 HydrophobicContact CG2-CG1 4.24Å; V337-Y355 HydrophobicContact CG2-CD1 3.87Å; V337-Y355 HydrophobicContact CG2-CE1 3.6Å
338	A	93.6	Very high	85	Confident	32 Å²	32	67.9 Å²	67.9	26%	0.264	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-45	-178.4	0	0	0	0	0	111.4	R336 G354 E391 P392	R336-A338 PolarHBondContact O-N 3.16Å; A338-G354 PolarHBondContact N-O 2.82Å; A338-E391 HydrophobicContact CB-CG 4.04Å; A338-P392 WeakPolarHBondContact CB-O 3.48Å
339	C	94.3	Very high	84.9	Confident	15 Å²	15	73.2 Å²	73.2	10%	0.101	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159	178.8	65.4	0	0	0	0	112.7	G354 P392 T393 C395	C339-G354 PolarHBondContact N-O 2.85Å; C339-G354 PolarHBondContact O-N 2.95Å; C339-P392 PolarHBondContact SG-O 3.04Å; C339-P392 VanDerWaalsContact SG-O 3.39Å; C339-T393 VanDerWaalsContact CB-O 3.3Å; C339-T393 WeakPolarHBondContact CB-O 3.4Å; C339-C395 PolarHBondContact SG-SG 2.9Å
340	T	94.8	Very high	85.3	Confident	102 Å²	102	73.1 Å²	73.1	63%	0.626	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.1	173.7	56.3	0	0	0	0	111	V337 I352 V353	V337-T340 HydrophobicContact CG1-CG2 3.93Å; T340-I352 WeakPolarHBondContact CA-O 3.25Å; T340-V353 HydrophobicContact CG2-CB 4.47Å; T340-V353 HydrophobicContact CG2-CG1 4.04Å; T340-V353 HydrophobicContact CG2-CG2 4.18Å
341	S	91.4	Very high	85.8	Confident	40 Å²	40	67.5 Å²	67.5	28%	0.28	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.8	170	-178	0	0	0	0	110.6	C351 I352 C395	S341-C351 WeakPolarHBondContact O-CA 3.43Å; S341-I352 PolarHBondContact N-O 3.06Å; S341-I352 PolarHBondContact O-N 3.35Å; S341-C395 WeakPolarHBondContact CB-O 3.31Å; S341-C395 PolarHBondContact OG-O 3.22Å
342	M	89.6	Confident	86.4	Confident	121 Å²	121	66.9 Å²	66.9	60%	0.596	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.8	-178.4	-166.5	177.3	-62.9	0	0	110.3	K350 F376	M342-K350 WeakPolarHBondContact CA-O 3.26Å; M342-K350 VanDerWaalsContact CG-O 3.29Å; M342-K350 WeakPolarHBondContact CG-O 3.48Å; M342-F376 HydrophobicContact CE-CZ 4.17Å
343	S	85.5	Confident	87	Confident	19 Å²	19	67 Å²	67	13%	0.133	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.7	178	-166.9	0	0	0	0	109.9	F349 K350 L397	S343-F349 WeakPolarHBondContact O-CA 2.95Å; S343-K350 PolarHBondContact N-O 2.84Å; S343-K350 PolarHBondContact O-N 3.06Å; S343-L397 WeakPolarHBondContact CB-O 3.24Å; S343-L397 PolarHBondContact OG-O 3.22Å
344	S	80.3	Confident	87.5	Confident	83 Å²	83	61 Å²	61	58%	0.58	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	87.1	-176.8	58.5	0	0	0	0	110.2	F349	S344-F349 VanDerWaalsContact CB-CE1 3.46Å
345	F	70.9	Confident	87.8	Confident	72 Å²	72	55.7 Å²	55.7	32%	0.316	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	-179.3	178.8	-110	0	0	0	112	G347 K348 E399 E400	F345-G347 PolarHBondContact O-N 2.93Å; F345-G347 VanDerWaalsContact O-N 3.13Å; F345-K348 PolarHBondContact N-O 2.9Å; F345-K348 WeakPolarHBondContact O-CA 3.3Å; F345-K348 WeakPolarHBondContact O-CB 3.24Å; F345-K348 PolarHBondContact O-N 3.48Å; F345-E399 WeakPolarHBondContact CD1-O 3.19Å; F345-E399 VanDerWaalsContact CE1-O 3.23Å; F345-E399 WeakPolarHBondContact CE1-O 3.31Å; F345-E399 WeakPolarHBondContact CG-O 3.41Å; F345-E400 HydrophobicContact CD2-CB 3.89Å; F345-E400 HydrophobicContact CD2-CG 3.46Å; F345-E400 VanDerWaalsContact CD2-CG 3.46Å; F345-E400 VanDerWaalsContact CD2-OE1 3.3Å; F345-E400 WeakPolarHBondContact CD2-OE1 3.39Å; F345-E400 HydrophobicContact CE2-CB 3.66Å; F345-E400 HydrophobicContact CE2-CG 3.79Å; F345-E400 HydrophobicContact CG-CG 4.09Å; F345-E400 HydrophobicContact CZ-CB 4.21Å
346	A	67.5	Low	87.9	Confident	73 Å²	73	55.2 Å²	55.2	60%	0.603	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	41.3	176.8	0	0	0	0	0	114.1	K348	A346-K348 PolarHBondContact O-N 2.91Å
347	G	68.3	Low	87.9	Confident	70 Å²	70	49.9 Å²	49.9	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	6.1	-177.1	0	0	0	0	0	115.3	F345	F345-G347 PolarHBondContact O-N 2.93Å; F345-G347 VanDerWaalsContact O-N 3.13Å
348	K	77.4	Confident	87.8	Confident	124 Å²	124	50.5 Å²	50.5	54%	0.539	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.3	171.8	-57.2	171.4	-170.4	167.3	0	108.5	F345 A346	F345-K348 PolarHBondContact N-O 2.9Å; F345-K348 WeakPolarHBondContact O-CA 3.3Å; F345-K348 WeakPolarHBondContact O-CB 3.24Å; F345-K348 PolarHBondContact O-N 3.48Å; A346-K348 PolarHBondContact O-N 2.91Å
349	F	84.8	Confident	87.7	Confident	115 Å²	115	52.3 Å²	52.3	50%	0.504	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.2	171.2	-61.7	-88.3	0	0	0	109.7	S343 S344 F376	S343-F349 WeakPolarHBondContact O-CA 2.95Å; S344-F349 VanDerWaalsContact CB-CE1 3.46Å; F349-F376 HydrophobicContact CB-CD2 3.56Å; F349-F376 HydrophobicContact CB-CE2 3.82Å; F349-F376 WeakPolarHBondContact O-CD2 3.3Å
350	K	90.2	Very high	87.5	Confident	35 Å²	35	51.6 Å²	51.6	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.3	170.3	-71.7	178.6	174.2	174.7	0	109.1	M342 S343 I373 W374 L397 E399	M342-K350 WeakPolarHBondContact CA-O 3.26Å; M342-K350 VanDerWaalsContact CG-O 3.29Å; M342-K350 WeakPolarHBondContact CG-O 3.48Å; S343-K350 PolarHBondContact N-O 2.84Å; S343-K350 PolarHBondContact O-N 3.06Å; K350-I373 HydrophobicContact CD-CG2 4.18Å; K350-W374 CarbonylContact C-O 3.53Å; K350-W374 VanDerWaalsContact CA-O 3.25Å; K350-W374 WeakPolarHBondContact CA-O 3.29Å; K350-W374 WeakPolarHBondContact CB-O 3.33Å; K350-L397 HydrophobicContact CB-CD2 3.59Å; K350-L397 HydrophobicContact CD-CD2 3.93Å; K350-L397 HydrophobicContact CG-CD2 4.43Å; K350-E399 WeakPolarHBondContact CE-OE2 3.46Å; K350-E399 IonicContact NZ-OE1 2.65Å; K350-E399 PolarHBondContact NZ-OE1 3.12Å; K350-E399 IonicContact NZ-OE2 2.68Å; K350-E399 PolarHBondContact NZ-OE2 3.16Å
351	C	92.2	Very high	87.1	Confident	13 Å²	13	48.7 Å²	48.7	9%	0.088	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.6	165.3	56.2	0	0	0	0	110.3	S341 W374 F376	S341-C351 WeakPolarHBondContact O-CA 3.43Å; C351-W374 PolarHBondContact N-O 2.93Å; C351-W374 PolarHBondContact O-N 2.89Å; C351-F376 HydrophobicContact CB-CZ 4.22Å
352	I	94.9	Very high	86.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.3	168.4	-173.9	167.4	0	0	0	107.6	T340 S341 L371 S372 I373 L386 C395 L397 A406	T340-I352 WeakPolarHBondContact CA-O 3.25Å; S341-I352 PolarHBondContact N-O 3.06Å; S341-I352 PolarHBondContact O-N 3.35Å; I352-L371 HydrophobicContact CD1-CB 4.07Å; I352-L371 HydrophobicContact CD1-CD1 3.97Å; I352-L371 HydrophobicContact CG1-CB 4.07Å; I352-S372 WeakPolarHBondContact CA-O 3.45Å; I352-I373 HydrophobicContact CB-CG1 4.38Å; I352-I373 HydrophobicContact CD1-CG1 4.06Å; I352-I373 HydrophobicContact CG1-CG1 4.11Å; I352-L386 HydrophobicContact CD1-CD1 4.33Å; I352-C395 HydrophobicContact CD1-CB 4.44Å; I352-L397 HydrophobicContact CB-CB 4.32Å; I352-L397 HydrophobicContact CG2-CB 3.99Å; I352-A406 HydrophobicContact CD1-CB 3.94Å
353	V	95.3	Very high	86.6	Confident	13 Å²	13	50.4 Å²	50.4	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.9	-177	-177.4	0	0	0	0	108	V337 T340 Y355 L371 S372	V337-V353 HydrophobicContact CG1-CG1 3.89Å; V337-V353 HydrophobicContact CG2-CG1 4.24Å; T340-V353 HydrophobicContact CG2-CB 4.47Å; T340-V353 HydrophobicContact CG2-CG1 4.04Å; T340-V353 HydrophobicContact CG2-CG2 4.18Å; V353-Y355 HydrophobicContact CB-CD2 4.5Å; V353-Y355 HydrophobicContact CB-CE2 3.73Å; V353-Y355 HydrophobicContact CG1-CD2 4.01Å; V353-Y355 HydrophobicContact CG1-CE1 4.22Å; V353-Y355 HydrophobicContact CG1-CE2 3.34Å; V353-Y355 VanDerWaalsContact CG1-CZ 3.47Å; V353-Y355 WeakPolarHBondContact O-CD2 3.13Å; V353-Y355 WeakPolarHBondContact O-CE2 3.38Å; V353-L371 CarbonylContact O-C 3.59Å; V353-L371 WeakPolarHBondContact O-CA 3.48Å; V353-S372 PolarHBondContact N-O 2.8Å; V353-S372 PolarHBondContact O-N 3.45Å; V353-S372 PolarHBondContact O-OG 3.13Å
354	G	96.2	Very high	86.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.4	174.1	0	0	0	0	0	111.4	A338 C339	A338-G354 PolarHBondContact N-O 2.82Å; C339-G354 PolarHBondContact N-O 2.85Å; C339-G354 PolarHBondContact O-N 2.95Å
355	Y	95.9	Very high	87	Confident	13 Å²	13	48.5 Å²	48.5	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.4	179.4	-59.7	-103.3	0	0	0	110.2	L328 C335 R336 V337 V353 G369 M370 S372	L328-Y355 HydrophobicContact CD1-CD1 3.84Å; L328-Y355 HydrophobicContact CD1-CD2 3.74Å; L328-Y355 HydrophobicContact CD1-CE1 4.17Å; L328-Y355 HydrophobicContact CD1-CE2 4.08Å; L328-Y355 HydrophobicContact CD1-CG 3.6Å; L328-Y355 HydrophobicContact CD2-CD2 4.41Å; L328-Y355 HydrophobicContact CD2-CE2 4.12Å; L328-Y355 HydrophobicContact CG-CD1 4.35Å; L328-Y355 HydrophobicContact CG-CD2 4.21Å; L328-Y355 HydrophobicContact CG-CE1 4.17Å; L328-Y355 HydrophobicContact CG-CE2 4.03Å; L328-Y355 HydrophobicContact CG-CG 4.37Å; C335-Y355 HydrophobicContact CB-CD1 4.37Å; R336-Y355 CarbonylContact O-C 3.43Å; R336-Y355 WeakPolarHBondContact O-CA 3.34Å; V337-Y355 HydrophobicContact CG2-CD1 3.87Å; V337-Y355 HydrophobicContact CG2-CE1 3.6Å; V353-Y355 HydrophobicContact CB-CD2 4.5Å; V353-Y355 HydrophobicContact CB-CE2 3.73Å; V353-Y355 HydrophobicContact CG1-CD2 4.01Å; V353-Y355 HydrophobicContact CG1-CE1 4.22Å; V353-Y355 HydrophobicContact CG1-CE2 3.34Å; V353-Y355 VanDerWaalsContact CG1-CZ 3.47Å; V353-Y355 WeakPolarHBondContact O-CD2 3.13Å; V353-Y355 WeakPolarHBondContact O-CE2 3.38Å; Y355-G369 CarbonylContact O-C 3.31Å; Y355-G369 WeakPolarHBondContact O-CA 3.38Å; Y355-M370 PolarHBondContact N-O 3.04Å; Y355-M370 PolarHBondContact O-N 2.92Å; Y355-S372 WeakPolarHBondContact CE2-OG 3.48Å
356	Q	95.5	Very high	87.8	Confident	31 Å²	31	48.9 Å²	48.9	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.7	157.9	-175.2	57.9	7.3	0	0	109.1	C335 R336 R367 E391	C335-Q356 CarbonylContact C-O 3.59Å; C335-Q356 WeakPolarHBondContact CA-O 3.49Å; C335-Q356 VanDerWaalsContact CB-O 3.26Å; C335-Q356 WeakPolarHBondContact CB-O 3.37Å; R336-Q356 PolarHBondContact N-O 2.64Å; R336-Q356 PolarHBondContact O-N 2.95Å; Q356-R367 PolarHBondContact NE2-O 3.02Å; Q356-E391 HydrophobicContact CB-CG 4.04Å; Q356-E391 HydrophobicContact CG-CB 4.49Å; Q356-E391 HydrophobicContact CG-CG 4.39Å; Q356-E391 WeakPolarHBondContact CG-OE2 3.43Å
357	I	93.8	Very high	88.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.5	-177.4	-55.1	172	0	0	0	109.3	F365 R367 M368 M370	I357-F365 WeakPolarHBondContact CB-O 3.45Å; I357-F365 HydrophobicContact CD1-CB 4.07Å; I357-F365 WeakPolarHBondContact CG2-O 3.36Å; I357-R367 WeakPolarHBondContact O-CA 3.33Å; I357-R367 PolarHBondContact O-N 3.27Å; I357-M368 WeakPolarHBondContact CB-O 3.28Å; I357-M368 WeakPolarHBondContact CG1-O 2.95Å; I357-M368 PolarHBondContact N-O 2.69Å; I357-M370 HydrophobicContact CD1-CB 3.87Å; I357-M370 HydrophobicContact CD1-CE 3.71Å; I357-M370 HydrophobicContact CD1-SD 4.44Å; I357-M370 HydrophobicContact CG1-CB 4.46Å
358	E	92	Very high	89.9	Confident	90 Å²	90	53.8 Å²	53.8	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-40.4	177.5	-65.1	175	-154.8	0	0	111.5	R334	R334-E358 HydrophobicContact CB-CB 4.12Å; R334-E358 WeakPolarHBondContact CD-OE2 3.37Å; R334-E358 HydrophobicContact CG-CB 4.14Å; R334-E358 WeakPolarHBondContact CG-OE2 2.94Å; R334-E358 PolarHBondContact O-N 2.93Å
359	E	90.9	Very high	90.7	Very high	69 Å²	69	47.9 Å²	47.9	32%	0.322	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.7	178.5	-65.9	178.9	173.2	0	0	110.6	K333 R334	K333-E359 HydrophobicContact CB-CB 4.22Å; K333-E359 WeakPolarHBondContact CB-O 3.17Å; K333-E359 PolarHBondContact N-O 2.62Å; R334-E359 HydrophobicContact CB-CB 4Å; R334-E359 HydrophobicContact CB-CG 4.23Å; R334-E359 IonicContact CZ-OE1 2.97Å; R334-E359 IonicContact CZ-OE2 2.74Å; R334-E359 VanDerWaalsContact CZ-OE2 3.28Å; R334-E359 PolarHBondContact N-O 2.31Å; R334-E359 IonicContact NE-OE2 2.78Å; R334-E359 VanDerWaalsContact NH1-CD 3.28Å; R334-E359 IonicContact NH1-OE1 3.82Å; R334-E359 PolarHBondContact NH1-OE1 2.99Å; R334-E359 IonicContact NH1-OE2 3.7Å; R334-E359 IonicContact NH2-OE1 3.85Å; R334-E359 PolarHBondContact NH2-OE1 2.81Å; R334-E359 IonicContact NH2-OE2 3.02Å; R334-E359 PolarHBondContact NH2-OE2 2.9Å; R334-E359 PolarHBondContact O-N 3.19Å
360	S	90	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.			trans	-127	167.6	-177.9	-161.2	0	0	0	0	112.4	L331 K333 L362 E366	L331-S360 WeakPolarHBondContact O-CB 3.2Å; L331-S360 PolarHBondContact O-OG 3.03Å; K333-S360 WeakPolarHBondContact CD-O 3.07Å; K333-S360 WeakPolarHBondContact CE-O 3.35Å; K333-S360 PolarHBondContact NZ-O 2.94Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 WeakPolarHBondContact CB-O 3.49Å; S360-L362 PolarHBondContact OG-N 2.97Å; S360-L362 PolarHBondContact OG-O 3.03Å; S360-E366 PolarHBondContact N-OE1 2.63Å
361	A	86.6	Confident	91.5	Very high	42 Å²	42	40.8 Å²	40.8	35%	0.347	20%	0.203	S	C	.	.	S	Bend	trans	-88.1	-3.6	162	0	0	0	0	0	113.1	L330	L330-A361 HydrophobicContact CB-CB 3.82Å; L330-A361 WeakPolarHBondContact O-CB 3.43Å; L330-A361 PolarHBondContact O-N 2.79Å
362	L	86.1	Confident	91.6	Very high	59 Å²	59	40.1 Å²	40.1	31%	0.309	20%	0.199	S	C	.	.	S	Bend	trans	-130.2	106.8	174.8	-65.9	174.8	0	0	0	108.8	L331 S360 S364 F365	L331-L362 HydrophobicContact CD2-CD1 3.86Å; L331-L362 HydrophobicContact CD2-CG 4.47Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 WeakPolarHBondContact CB-O 3.49Å; S360-L362 PolarHBondContact OG-N 2.97Å; S360-L362 PolarHBondContact OG-O 3.03Å; L362-S364 PolarHBondContact O-N 3.06Å; L362-F365 HydrophobicContact CB-CD2 3.86Å; L362-F365 HydrophobicContact CB-CE2 4.25Å; L362-F365 HydrophobicContact CD1-CD2 4.16Å; L362-F365 HydrophobicContact CD1-CE2 3.78Å; L362-F365 PolarHBondContact O-N 2.89Å
363	D	84.4	Confident	91.6	Very high	137 Å²	137	40.3 Å²	40.3	73%	0.733	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-49.1	-30.9	-175.5	-46.6	1.9	0	0	0	112.7	F365 E366	D363-F365 PolarHBondContact O-N 2.67Å; D363-E366 PolarHBondContact O-N 2.85Å
364	S	85.8	Confident	91.5	Very high	58 Å²	58	39.9 Å²	39.9	41%	0.406	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63.8	-2.7	175.4	66.6	0	0	0	0	116	L362 R428	L362-S364 PolarHBondContact O-N 3.06Å; S364-R428 PolarHBondContact OG-NH1 3.37Å
365	F	88.8	Confident	91	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-125.4	2.2	178.6	-58	-44.9	0	0	0	113.4	L331 I357 L362 D363 M368 L387 I430 V439	L331-F365 HydrophobicContact CD2-CD2 4.46Å; L331-F365 HydrophobicContact CD2-CE2 4.49Å; I357-F365 WeakPolarHBondContact CB-O 3.45Å; I357-F365 HydrophobicContact CD1-CB 4.07Å; I357-F365 WeakPolarHBondContact CG2-O 3.36Å; L362-F365 HydrophobicContact CB-CD2 3.86Å; L362-F365 HydrophobicContact CB-CE2 4.25Å; L362-F365 HydrophobicContact CD1-CD2 4.16Å; L362-F365 HydrophobicContact CD1-CE2 3.78Å; L362-F365 PolarHBondContact O-N 2.89Å; D363-F365 PolarHBondContact O-N 2.67Å; F365-M368 PolarHBondContact O-N 2.91Å; F365-L387 HydrophobicContact CD1-CD1 3.8Å; F365-L387 HydrophobicContact CE1-CD1 4.16Å; F365-L387 HydrophobicContact CE1-CD2 4.49Å; F365-I430 HydrophobicContact CE2-CD1 4.32Å; F365-V439 HydrophobicContact CE1-CG1 4.1Å; F365-V439 HydrophobicContact CZ-CG1 4.1Å; F365-V439 HydrophobicContact CZ-CG2 4.17Å
366	E	87.4	Confident	90.4	Very high	80 Å²	80	43.6 Å²	43.6	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	136.5	176.6	-62.3	-158.6	141.7	0	0	111.1	S360 D363 M368	S360-E366 PolarHBondContact N-OE1 2.63Å; D363-E366 PolarHBondContact O-N 2.85Å; E366-M368 PolarHBondContact O-N 2.95Å; E366-M368 VanDerWaalsContact O-N 3.13Å
367	R	87.4	Confident	89.6	Confident	204 Å²	204	47 Å²	47	77%	0.77	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	2.6	-175.5	-48.2	-179.9	-173.4	-174.4	1.1	115.5	Q356 I357	Q356-R367 PolarHBondContact NE2-O 3.02Å; I357-R367 WeakPolarHBondContact O-CA 3.33Å; I357-R367 PolarHBondContact O-N 3.27Å
368	M	92.2	Very high	88.8	Confident	43 Å²	43	51.7 Å²	51.7	21%	0.212	25%	0.251	C	S	.	.			trans	-80	150.6	172.7	-66.1	-67.7	179.5	0	0	111	I357 F365 E366 L387 E389	I357-M368 WeakPolarHBondContact CB-O 3.28Å; I357-M368 WeakPolarHBondContact CG1-O 2.95Å; I357-M368 PolarHBondContact N-O 2.69Å; F365-M368 PolarHBondContact O-N 2.91Å; E366-M368 PolarHBondContact O-N 2.95Å; E366-M368 VanDerWaalsContact O-N 3.13Å; M368-L387 HydrophobicContact CB-CD1 3.85Å; M368-L387 HydrophobicContact CG-CD1 4.19Å; M368-E389 WeakPolarHBondContact CE-OE2 3.44Å
369	G	94.5	Very high	88.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	152.7	163.3	0	0	0	0	0	111	Y355 C388 A390	Y355-G369 CarbonylContact O-C 3.31Å; Y355-G369 WeakPolarHBondContact O-CA 3.38Å; G369-C388 PolarHBondContact N-O 3.37Å; G369-C388 PolarHBondContact O-N 3.43Å; G369-A390 WeakPolarHBondContact CA-O 3.44Å
370	M	95.5	Very high	88	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	128.3	173.2	-175	155.3	66.7	0	0	112.1	L328 L331 Y355 I357 L385 L386	L328-M370 HydrophobicContact CD1-CE 3.93Å; L328-M370 HydrophobicContact CD2-CE 4.08Å; L331-M370 HydrophobicContact CB-CE 4.24Å; L331-M370 HydrophobicContact CD1-CE 4.29Å; Y355-M370 PolarHBondContact N-O 3.04Å; Y355-M370 PolarHBondContact O-N 2.92Å; I357-M370 HydrophobicContact CD1-CB 3.87Å; I357-M370 HydrophobicContact CD1-CE 3.71Å; I357-M370 HydrophobicContact CD1-SD 4.44Å; I357-M370 HydrophobicContact CG1-CB 4.46Å; M370-L385 HydrophobicContact CE-CD1 4.26Å; M370-L385 HydrophobicContact CE-CD2 4.12Å; M370-L385 HydrophobicContact CG-CB 4.45Å; M370-L385 HydrophobicContact CG-CD2 4.26Å; M370-L385 HydrophobicContact SD-CB 3.88Å; M370-L385 HydrophobicContact SD-CD1 4.06Å; M370-L385 HydrophobicContact SD-CD2 3.96Å; M370-L385 HydrophobicContact SD-CG 4.18Å; M370-L386 CarbonylContact C-O 3.47Å; M370-L386 WeakPolarHBondContact CA-O 3.3Å; M370-L386 WeakPolarHBondContact CG-O 3.45Å
371	L	96.6	Very high	87.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.9	166.2	-37.6	169.7	0	0	0	109.3	I352 V353 L385 L386 P392 C395 W418	I352-L371 HydrophobicContact CD1-CB 4.07Å; I352-L371 HydrophobicContact CD1-CD1 3.97Å; I352-L371 HydrophobicContact CG1-CB 4.07Å; V353-L371 CarbonylContact O-C 3.59Å; V353-L371 WeakPolarHBondContact O-CA 3.48Å; L371-L385 WeakPolarHBondContact O-CA 3.38Å; L371-L386 HydrophobicContact CB-CB 4.01Å; L371-L386 HydrophobicContact CB-CD1 4.27Å; L371-L386 HydrophobicContact CB-CG 4.42Å; L371-L386 HydrophobicContact CD1-CB 4.3Å; L371-L386 HydrophobicContact CD1-CD1 4.02Å; L371-L386 HydrophobicContact CG-CB 4.38Å; L371-L386 PolarHBondContact N-O 2.96Å; L371-L386 PolarHBondContact O-N 2.73Å; L371-P392 HydrophobicContact CD2-CB 3.5Å; L371-P392 HydrophobicContact CD2-CG 3.91Å; L371-C395 HydrophobicContact CD1-CB 4.47Å; L371-C395 HydrophobicContact CD2-CB 4.09Å; L371-W418 HydrophobicContact CD1-CE3 4.31Å; L371-W418 HydrophobicContact CD1-CH2 3.73Å; L371-W418 HydrophobicContact CD1-CZ2 4.35Å; L371-W418 HydrophobicContact CD1-CZ3 3.71Å
372	S	94.7	Very high	88.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.5	170.7	64.2	0	0	0	0	110.2	I352 V353 Y355 W374	I352-S372 WeakPolarHBondContact CA-O 3.45Å; V353-S372 PolarHBondContact N-O 2.8Å; V353-S372 PolarHBondContact O-N 3.45Å; V353-S372 PolarHBondContact O-OG 3.13Å; Y355-S372 WeakPolarHBondContact CE2-OG 3.48Å; S372-W374 PolarHBondContact OG-NE1 2.67Å
373	I	94.4	Very high	88.2	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.9	177.6	-64.1	169.9	0	0	0	108.4	K350 I352 P382 Q383 K384 L386 L397 A406 L420	K350-I373 HydrophobicContact CD-CG2 4.18Å; I352-I373 HydrophobicContact CB-CG1 4.38Å; I352-I373 HydrophobicContact CD1-CG1 4.06Å; I352-I373 HydrophobicContact CG1-CG1 4.11Å; I373-P382 CarbonylContact O-C 3.58Å; I373-Q383 PolarHBondContact O-N 3.03Å; I373-K384 PolarHBondContact N-O 3.41Å; I373-L386 HydrophobicContact CD1-CD1 3.98Å; I373-L397 HydrophobicContact CD1-CD1 3.99Å; I373-L397 HydrophobicContact CG2-CD2 4Å; I373-A406 HydrophobicContact CD1-CB 4.49Å; I373-L420 HydrophobicContact CD1-CD1 3.77Å; I373-L420 HydrophobicContact CD1-CD2 3.85Å; I373-L420 HydrophobicContact CD1-CG 4.5Å
374	W	91.7	Very high	88.6	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.4	176.9	-56.8	81.7	0	0	0	110.1	L326 S327 K350 C351 S372 L379 P382 W432	L326-W374 HydrophobicContact CB-CD2 4.15Å; L326-W374 HydrophobicContact CB-CH2 4.44Å; L326-W374 HydrophobicContact CB-CZ2 4.08Å; L326-W374 HydrophobicContact CD1-CB 4.14Å; L326-W374 HydrophobicContact CD1-CD2 4.19Å; L326-W374 HydrophobicContact CD1-CG 3.87Å; L326-W374 HydrophobicContact CD2-CD2 4.02Å; L326-W374 HydrophobicContact CD2-CE3 3.85Å; L326-W374 HydrophobicContact CD2-CG 4.41Å; L326-W374 HydrophobicContact CD2-CZ3 4.29Å; L326-W374 HydrophobicContact CG-CD2 4.34Å; S327-W374 WeakPolarHBondContact O-CH2 3.36Å; K350-W374 CarbonylContact C-O 3.53Å; K350-W374 VanDerWaalsContact CA-O 3.25Å; K350-W374 WeakPolarHBondContact CA-O 3.29Å; K350-W374 WeakPolarHBondContact CB-O 3.33Å; C351-W374 PolarHBondContact N-O 2.93Å; C351-W374 PolarHBondContact O-N 2.89Å; S372-W374 PolarHBondContact OG-NE1 2.67Å; W374-L379 WeakPolarHBondContact CZ3-O 3.23Å; W374-P382 HydrophobicContact CD2-CB 4.16Å; W374-P382 HydrophobicContact CE3-CB 4.43Å; W374-P382 HydrophobicContact CH2-CB 4.31Å; W374-P382 HydrophobicContact CH2-CG 4.4Å; W374-P382 HydrophobicContact CZ2-CB 4Å; W374-P382 HydrophobicContact CZ2-CG 4.33Å; W374-W432 HydrophobicContact CH2-CZ2 4.38Å
375	G	87.5	Confident	89	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.4	174.9	0	0	0	0	0	110.2	K377 E378	G375-K377 PolarHBondContact O-N 3.24Å; G375-E378 CarbonylContact O-C 3.45Å; G375-E378 PolarHBondContact O-N 3.5Å
376	F	82.3	Confident	89.3	Confident	87 Å²	87	43.3 Å²	43.3	38%	0.382	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	6.4	-169.2	-61.9	-82.5	0	0	0	116.5	M342 F349 C351 L379	M342-F376 HydrophobicContact CE-CZ 4.17Å; F349-F376 HydrophobicContact CB-CD2 3.56Å; F349-F376 HydrophobicContact CB-CE2 3.82Å; F349-F376 WeakPolarHBondContact O-CD2 3.3Å; C351-F376 HydrophobicContact CB-CZ 4.22Å; F376-L379 HydrophobicContact CD1-CD2 4.44Å
377	K	78.6	Confident	89.7	Confident	102 Å²	102	39.7 Å²	39.7	44%	0.443	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-24.6	168.8	-62.2	-172.8	179.1	-173.8	0	113.4	G375	G375-K377 PolarHBondContact O-N 3.24Å
378	E	78.3	Confident	90	Very high	99 Å²	99	30.1 Å²	30.1	46%	0.463	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-138.1	96.8	-172.6	-74.7	168.1	-132.6	0	0	108.3	G375	G375-E378 CarbonylContact O-C 3.45Å; G375-E378 PolarHBondContact O-N 3.5Å
379	L	82.6	Confident	89.9	Confident	30 Å²	30	32.6 Å²	32.6	16%	0.157	15%	0.153	C	C	.	.			trans	-101	-4.7	-176.1	-57.5	-174.3	0	0	0	113.3	P310 A324 L326 W374 F376	P310-L379 HydrophobicContact CB-CD1 3.75Å; P310-L379 HydrophobicContact CB-CG 4.06Å; P310-L379 HydrophobicContact CG-CD1 4.09Å; A324-L379 HydrophobicContact CB-CD1 3.66Å; L326-L379 HydrophobicContact CD2-CD2 4.07Å; W374-L379 WeakPolarHBondContact CZ3-O 3.23Å; F376-L379 HydrophobicContact CD1-CD2 4.44Å
380	D	82.7	Confident	89.8	Confident	98 Å²	98	33.3 Å²	33.3	52%	0.524	16%	0.16	S	C	.	.	S	Bend	trans	-79.2	-18.3	-177.6	-83.7	-70	0	0	0	114.4	W432 K433	D380-W432 PolarHBondContact O-NE1 3.08Å; D380-K433 WeakPolarHBondContact O-CE 3.31Å; D380-K433 PolarHBondContact O-NZ 2.89Å; D380-K433 IonicContact OD1-NZ 3.11Å; D380-K433 PolarHBondContact OD1-NZ 2.89Å; D380-K433 VanDerWaalsContact OD1-NZ 3.11Å
381	K	87.2	Confident	89.8	Confident	52 Å²	52	35 Å²	35	23%	0.226	17%	0.167	C	C	.	.	S	Bend	trans	-150.1	150.5	174.4	71.6	178.5	-171.8	172.1	0	110.9	W432 S435 D436 V437	K381-W432 HydrophobicContact CB-CD2 4.47Å; K381-W432 HydrophobicContact CB-CG 4.13Å; K381-S435 PolarHBondContact NZ-OG 2.97Å; K381-D436 PolarHBondContact NZ-O 3.41Å; K381-V437 HydrophobicContact CB-CG2 4.2Å; K381-V437 HydrophobicContact CD-CG2 4.04Å; K381-V437 HydrophobicContact CG-CG2 4.47Å
382	P	91.2	Very high	89.8	Confident	1 Å²	1	35 Å²	35	1%	0.006	17%	0.167	C	C	.	.			trans	-64.1	145.4	167	29.5	-34.1	0	0	0	109.1	I373 W374 K384 L385 W432 V437	I373-P382 CarbonylContact O-C 3.58Å; W374-P382 HydrophobicContact CD2-CB 4.16Å; W374-P382 HydrophobicContact CE3-CB 4.43Å; W374-P382 HydrophobicContact CH2-CB 4.31Å; W374-P382 HydrophobicContact CH2-CG 4.4Å; W374-P382 HydrophobicContact CZ2-CB 4Å; W374-P382 HydrophobicContact CZ2-CG 4.33Å; P382-K384 VanDerWaalsContact C-N 3.32Å; P382-L385 HydrophobicContact CB-CD2 4.16Å; P382-L385 HydrophobicContact CG-CD1 4.48Å; P382-L385 HydrophobicContact CG-CD2 3.87Å; P382-L385 HydrophobicContact CG-CG 4.04Å; P382-W432 VanDerWaalsContact CD-CZ2 3.43Å; P382-W432 HydrophobicContact CG-CH2 4.24Å; P382-W432 HydrophobicContact CG-CZ2 4.37Å; P382-W432 HydrophobicContact CG-CZ3 4.41Å; P382-V437 HydrophobicContact CG-CG1 4.13Å; P382-V437 HydrophobicContact CG-CG2 4.29Å
383	Q	89.1	Confident	89.9	Confident	67 Å²	67	36.3 Å²	36.3	31%	0.313	18%	0.175	S	C	.	.	S	Bend	trans	-67.9	-37.8	175.9	-61.2	-163.1	-30.4	0	0	111.2	I373	I373-Q383 PolarHBondContact O-N 3.03Å
384	K	91.7	Very high	89.8	Confident	35 Å²	35	36.5 Å²	36.5	15%	0.152	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.2	177.4	-65.5	-178.9	178.3	175.3	0	110	I373 P382 L386 L420	I373-K384 PolarHBondContact N-O 3.41Å; P382-K384 VanDerWaalsContact C-N 3.32Å; K384-L386 HydrophobicContact CB-CD2 4.43Å; K384-L420 HydrophobicContact CD-CD2 4.15Å; K384-L420 PolarHBondContact NZ-O 3.47Å
385	L	94.6	Very high	90	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.1	165.5	-67.4	172.4	0	0	0	108.8	L328 L331 M370 L371 P382 I430 V437 T438 V439 R440	L328-L385 HydrophobicContact CD2-CD2 3.96Å; L331-L385 HydrophobicContact CD1-CD1 3.48Å; L331-L385 VanDerWaalsContact CD1-CD1 3.48Å; M370-L385 HydrophobicContact CE-CD1 4.26Å; M370-L385 HydrophobicContact CE-CD2 4.12Å; M370-L385 HydrophobicContact CG-CB 4.45Å; M370-L385 HydrophobicContact CG-CD2 4.26Å; M370-L385 HydrophobicContact SD-CB 3.88Å; M370-L385 HydrophobicContact SD-CD1 4.06Å; M370-L385 HydrophobicContact SD-CD2 3.96Å; M370-L385 HydrophobicContact SD-CG 4.18Å; L371-L385 WeakPolarHBondContact O-CA 3.38Å; P382-L385 HydrophobicContact CB-CD2 4.16Å; P382-L385 HydrophobicContact CG-CD1 4.48Å; P382-L385 HydrophobicContact CG-CD2 3.87Å; P382-L385 HydrophobicContact CG-CG 4.04Å; L385-I430 HydrophobicContact CD1-CD1 4.12Å; L385-V437 HydrophobicContact CB-CG1 4.41Å; L385-V437 HydrophobicContact CD1-CG1 3.72Å; L385-V437 HydrophobicContact CG-CG1 3.75Å; L385-T438 PolarHBondContact N-O 3.05Å; L385-V439 HydrophobicContact CB-CG1 4.5Å; L385-V439 HydrophobicContact CB-CG2 4.2Å; L385-V439 HydrophobicContact CD1-CG2 4.24Å; L385-V439 CarbonylContact O-C 3.59Å; L385-V439 WeakPolarHBondContact O-CA 3.48Å; L385-R440 PolarHBondContact O-N 3.23Å
386	L	96	Very high	90.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.4	-179.4	-48.4	179.7	0	0	0	107.9	I352 M370 L371 I373 K384 A406 W418 L420 R440	I352-L386 HydrophobicContact CD1-CD1 4.33Å; M370-L386 CarbonylContact C-O 3.47Å; M370-L386 WeakPolarHBondContact CA-O 3.3Å; M370-L386 WeakPolarHBondContact CG-O 3.45Å; L371-L386 HydrophobicContact CB-CB 4.01Å; L371-L386 HydrophobicContact CB-CD1 4.27Å; L371-L386 HydrophobicContact CB-CG 4.42Å; L371-L386 HydrophobicContact CD1-CB 4.3Å; L371-L386 HydrophobicContact CD1-CD1 4.02Å; L371-L386 HydrophobicContact CG-CB 4.38Å; L371-L386 PolarHBondContact N-O 2.96Å; L371-L386 PolarHBondContact O-N 2.73Å; I373-L386 HydrophobicContact CD1-CD1 3.98Å; K384-L386 HydrophobicContact CB-CD2 4.43Å; L386-A406 HydrophobicContact CD1-CB 3.56Å; L386-W418 HydrophobicContact CB-CD2 4.16Å; L386-W418 HydrophobicContact CB-CG 4.33Å; L386-W418 HydrophobicContact CB-CZ2 4.17Å; L386-W418 HydrophobicContact CD1-CB 4.37Å; L386-W418 HydrophobicContact CD1-CD2 4.03Å; L386-W418 HydrophobicContact CD1-CE3 4.32Å; L386-W418 HydrophobicContact CD1-CG 4.06Å; L386-W418 HydrophobicContact CD2-CB 4.35Å; L386-W418 HydrophobicContact CD2-CG 4.07Å; L386-W418 HydrophobicContact CG-CG 4.39Å; L386-L420 HydrophobicContact CD1-CD2 4.35Å; L386-L420 HydrophobicContact CD2-CD2 4.05Å; L386-R440 CarbonylContact C-O 3.53Å; L386-R440 VanDerWaalsContact CA-O 3.29Å; L386-R440 WeakPolarHBondContact CA-O 3.49Å; L386-R440 HydrophobicContact CD2-CB 3.87Å; L386-R440 HydrophobicContact CD2-CG 4.15Å
387	L	94.8	Very high	90.8	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	-176.3	-173.5	70.1	0	0	0	110.5	F365 M368 W418 V439 R440 R441 P442	F365-L387 HydrophobicContact CD1-CD1 3.8Å; F365-L387 HydrophobicContact CE1-CD1 4.16Å; F365-L387 HydrophobicContact CE1-CD2 4.49Å; M368-L387 HydrophobicContact CB-CD1 3.85Å; M368-L387 HydrophobicContact CG-CD1 4.19Å; L387-W418 WeakPolarHBondContact O-CZ2 3.25Å; L387-V439 HydrophobicContact CB-CG1 4.28Å; L387-R440 PolarHBondContact N-O 3.5Å; L387-R441 HydrophobicContact CB-CG 4.32Å; L387-R441 HydrophobicContact CD2-CG 3.98Å; L387-P442 WeakPolarHBondContact O-CD 3.32Å
388	C	94.1	Very high	91.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.8	172.6	-64.2	0	0	0	0	108.7	G369 A390 M410 W418	G369-C388 PolarHBondContact N-O 3.37Å; G369-C388 PolarHBondContact O-N 3.43Å; C388-A390 VanDerWaalsContact C-N 3.29Å; C388-A390 WeakPolarHBondContact CB-O 3.31Å; C388-M410 HydrophobicContact CB-SD 3.52Å; C388-M410 VanDerWaalsContact CB-SD 3.52Å; C388-W418 VanDerWaalsContact SG-CH2 3.59Å
389	E	90.7	Very high	91.6	Very high	95 Å²	95	27 Å²	27	44%	0.444	14%	0.136	S	C	.	.	S	Bend	trans	-82.9	-8.5	179.1	-51.4	-75	147.4	0	0	112.3	M368 R441	M368-E389 WeakPolarHBondContact CE-OE2 3.44Å; E389-R441 IonicContact OE1-CZ 3.07Å; E389-R441 VanDerWaalsContact OE1-CZ 3.23Å; E389-R441 IonicContact OE1-NE 2.72Å; E389-R441 PolarHBondContact OE1-NE 2.82Å; E389-R441 IonicContact OE1-NH2 2.73Å; E389-R441 PolarHBondContact OE1-NH2 3.38Å; E389-R441 IonicContact OE2-NH2 3.82Å
390	A	92.6	Very high	91.3	Very high	16 Å²	16	28.8 Å²	28.8	13%	0.132	14%	0.143	C	C	.	.	S	Bend	trans	-135.6	179.5	174.5	0	0	0	0	0	111.2	G369 C388 P392 M410 D412	G369-A390 WeakPolarHBondContact CA-O 3.44Å; C388-A390 VanDerWaalsContact C-N 3.29Å; C388-A390 WeakPolarHBondContact CB-O 3.31Å; A390-P392 WeakPolarHBondContact O-CD 3.36Å; A390-M410 HydrophobicContact CB-CB 3.99Å; A390-M410 HydrophobicContact CB-CE 4.43Å; A390-M410 HydrophobicContact CB-CG 4.43Å; A390-M410 HydrophobicContact CB-SD 3.94Å; A390-D412 HydrophobicContact CB-CB 4.22Å
391	E	94.9	Very high	90.8	Very high	34 Å²	34	26.9 Å²	26.9	16%	0.159	14%	0.137	C	C	.	.			trans	-76.1	124.4	-174.3	176.3	168.7	149.4	0	0	111.7	R336 A338 Q356 T393 M410 D411	R336-E391 IonicContact CZ-OE1 3.53Å; R336-E391 VanDerWaalsContact CZ-OE1 3.26Å; R336-E391 IonicContact CZ-OE2 2.78Å; R336-E391 IonicContact NH1-OE1 3.8Å; R336-E391 PolarHBondContact NH1-OE1 3.44Å; R336-E391 IonicContact NH1-OE2 3.75Å; R336-E391 IonicContact NH2-OE1 2.93Å; R336-E391 PolarHBondContact NH2-OE1 3.32Å; R336-E391 IonicContact NH2-OE2 3.28Å; R336-E391 PolarHBondContact NH2-OE2 2.86Å; A338-E391 HydrophobicContact CB-CG 4.04Å; Q356-E391 HydrophobicContact CB-CG 4.04Å; Q356-E391 HydrophobicContact CG-CB 4.49Å; Q356-E391 HydrophobicContact CG-CG 4.39Å; Q356-E391 WeakPolarHBondContact CG-OE2 3.43Å; E391-T393 PolarHBondContact O-N 3.49Å; E391-M410 CarbonylContact O-C 3.56Å; E391-M410 WeakPolarHBondContact O-CA 3.37Å; E391-D411 HydrophobicContact CB-CB 4.36Å; E391-D411 WeakPolarHBondContact CB-OD1 3.39Å; E391-D411 PolarHBondContact N-OD1 3.3Å; E391-D411 PolarHBondContact O-N 3.47Å; E391-D411 VanDerWaalsContact O-N 3.08Å
392	P	96.6	Very high	90.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	113.8	178.6	29.5	-34.9	0	0	0	111.6	A338 C339 L371 A390 S408	A338-P392 WeakPolarHBondContact CB-O 3.48Å; C339-P392 PolarHBondContact SG-O 3.04Å; C339-P392 VanDerWaalsContact SG-O 3.39Å; L371-P392 HydrophobicContact CD2-CB 3.5Å; L371-P392 HydrophobicContact CD2-CG 3.91Å; A390-P392 WeakPolarHBondContact O-CD 3.36Å; P392-S408 WeakPolarHBondContact CB-OG 3.42Å
393	T	95.3	Very high	89.7	Confident	28 Å²	28	27.1 Å²	27.1	17%	0.172	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-30.9	-176.4	57.2	0	0	0	0	112.9	C339 E391 G409 D411 K459 V460	C339-T393 VanDerWaalsContact CB-O 3.3Å; C339-T393 WeakPolarHBondContact CB-O 3.4Å; E391-T393 PolarHBondContact O-N 3.49Å; T393-G409 PolarHBondContact N-O 3.23Å; T393-G409 PolarHBondContact OG1-O 2.78Å; T393-G409 VanDerWaalsContact OG1-O 3.06Å; T393-D411 HydrophobicContact CG2-CB 3.87Å; T393-K459 HydrophobicContact CG2-CD 4.26Å; T393-K459 HydrophobicContact CG2-CG 4.11Å; T393-V460 VanDerWaalsContact CB-O 3.29Å; T393-V460 WeakPolarHBondContact CB-O 3.49Å; T393-V460 PolarHBondContact OG1-O 3.17Å
394	C	93.9	Very high	89.6	Confident	8 Å²	8	26.4 Å²	26.4	5%	0.054	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.1	178.6	54.7	0	0	0	0	109.5	S408 G409 V461	C394-S408 CarbonylContact O-C 3.59Å; C394-S408 WeakPolarHBondContact O-CA 3.41Å; C394-S408 WeakPolarHBondContact O-CB 3.47Å; C394-S408 PolarHBondContact O-OG 3.41Å; C394-G409 PolarHBondContact O-N 3.08Å; C394-V461 WeakPolarHBondContact CB-O 3.47Å
395	C	95.7	Very high	89.7	Confident	13 Å²	13	24.8 Å²	24.8	9%	0.088	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.3	-179.9	63.4	0	0	0	0	112.7	C339 S341 I352 L371 A407	C339-C395 PolarHBondContact SG-SG 2.9Å; S341-C395 WeakPolarHBondContact CB-O 3.31Å; S341-C395 PolarHBondContact OG-O 3.22Å; I352-C395 HydrophobicContact CD1-CB 4.44Å; L371-C395 HydrophobicContact CD1-CB 4.47Å; L371-C395 HydrophobicContact CD2-CB 4.09Å; C395-A407 CarbonylContact C-O 3.38Å; C395-A407 WeakPolarHBondContact CA-O 3.43Å
396	L	92.7	Very high	89.7	Confident	15 Å²	15	24.8 Å²	24.8	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.1	173.9	68.5	80.6	0	0	0	111.8	A406 A407 I463 I465 L481	L396-A406 WeakPolarHBondContact O-CA 3.23Å; L396-A407 HydrophobicContact CD1-CB 3.98Å; L396-A407 HydrophobicContact CD2-CB 4.36Å; L396-A407 HydrophobicContact CG-CB 3.95Å; L396-A407 PolarHBondContact N-O 2.89Å; L396-A407 PolarHBondContact O-N 2.92Å; L396-I463 HydrophobicContact CD2-CB 4.14Å; L396-I463 HydrophobicContact CD2-CG2 3.54Å; L396-I465 HydrophobicContact CD1-CD1 4.06Å; L396-I465 HydrophobicContact CD1-CG1 4.37Å; L396-I465 HydrophobicContact CD2-CD1 3.89Å; L396-I465 HydrophobicContact CD2-CG1 4.15Å; L396-L481 HydrophobicContact CD2-CD1 4.34Å
397	L	93.1	Very high	89.7	Confident	9 Å²	9	24.8 Å²	24.8	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	112	176.2	172.6	61.6	0	0	0	108.5	S343 K350 I352 I373 E399 L420	S343-L397 WeakPolarHBondContact CB-O 3.24Å; S343-L397 PolarHBondContact OG-O 3.22Å; K350-L397 HydrophobicContact CB-CD2 3.59Å; K350-L397 HydrophobicContact CD-CD2 3.93Å; K350-L397 HydrophobicContact CG-CD2 4.43Å; I352-L397 HydrophobicContact CB-CB 4.32Å; I352-L397 HydrophobicContact CG2-CB 3.99Å; I373-L397 HydrophobicContact CD1-CD1 3.99Å; I373-L397 HydrophobicContact CG2-CD2 4Å; L397-E399 HydrophobicContact CD1-CG 3.96Å; L397-E399 HydrophobicContact CG-CG 4.39Å; L397-L420 HydrophobicContact CD1-CD1 3.34Å
398	Y	89.1	Confident	89.7	Confident	27 Å²	27	24.5 Å²	24.5	11%	0.106	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	-176.9	-170.8	-102.4	0	0	0	110	E400 W403 T404 I405 I465 V468 L479	Y398-E400 HydrophobicContact CD2-CG 4.22Å; Y398-E400 HydrophobicContact CE1-CB 4.1Å; Y398-E400 HydrophobicContact CE1-CG 4.23Å; Y398-E400 HydrophobicContact CE2-CB 4.23Å; Y398-E400 HydrophobicContact CE2-CG 3.54Å; Y398-E400 VanDerWaalsContact CE2-OE2 3.3Å; Y398-E400 WeakPolarHBondContact CE2-OE2 3.5Å; Y398-E400 VanDerWaalsContact CZ-OE2 3.29Å; Y398-E400 WeakPolarHBondContact OH-CB 3.18Å; Y398-E400 PolarHBondContact OH-OE2 3.48Å; Y398-W403 HydrophobicContact CD1-CB 4.1Å; Y398-W403 HydrophobicContact CE1-CB 4.09Å; Y398-T404 CarbonylContact O-C 3.37Å; Y398-T404 WeakPolarHBondContact O-CA 3.31Å; Y398-I405 PolarHBondContact N-O 3.45Å; Y398-I405 PolarHBondContact O-N 3Å; Y398-I405 VanDerWaalsContact O-O 3.11Å; Y398-I465 HydrophobicContact CD2-CG1 4.05Å; Y398-I465 HydrophobicContact CG-CG1 4.12Å; Y398-V468 HydrophobicContact CE1-CG1 4.44Å; Y398-V468 HydrophobicContact CE1-CG2 3.95Å; Y398-V468 HydrophobicContact CE2-CG2 4.45Å; Y398-V468 VanDerWaalsContact OH-CG2 3.28Å; Y398-V468 WeakPolarHBondContact OH-CG2 3.37Å; Y398-L479 HydrophobicContact CD1-CD1 4.48Å; Y398-L479 HydrophobicContact CE1-CD1 4.32Å
399	E	85.8	Confident	89.8	Confident	32 Å²	32	24.4 Å²	24.4	15%	0.15	14%	0.139	C	C	.	.			trans	-134.2	45.6	-172.4	-65	-166.3	161.7	0	0	112.5	F345 K350 L397 W403 T404	F345-E399 WeakPolarHBondContact CD1-O 3.19Å; F345-E399 VanDerWaalsContact CE1-O 3.23Å; F345-E399 WeakPolarHBondContact CE1-O 3.31Å; F345-E399 WeakPolarHBondContact CG-O 3.41Å; K350-E399 WeakPolarHBondContact CE-OE2 3.46Å; K350-E399 IonicContact NZ-OE1 2.65Å; K350-E399 PolarHBondContact NZ-OE1 3.12Å; K350-E399 IonicContact NZ-OE2 2.68Å; K350-E399 PolarHBondContact NZ-OE2 3.16Å; L397-E399 HydrophobicContact CD1-CG 3.96Å; L397-E399 HydrophobicContact CG-CG 4.39Å; E399-W403 CarbonylContact C-O 3.56Å; E399-W403 VanDerWaalsContact C-O 3.31Å; E399-W403 WeakPolarHBondContact CA-O 3.36Å; E399-T404 HydrophobicContact CB-CG2 4.35Å; E399-T404 HydrophobicContact CG-CG2 4.46Å
400	E	76.4	Confident	90	Very high	67 Å²	67	20.3 Å²	20.3	31%	0.313	12%	0.12	S	C	.	.			trans	-116.5	158.2	-179.1	-34.3	-167.6	120.8	0	0	113.7	F345 Y398 A402 W403	F345-E400 HydrophobicContact CD2-CB 3.89Å; F345-E400 HydrophobicContact CD2-CG 3.46Å; F345-E400 VanDerWaalsContact CD2-CG 3.46Å; F345-E400 VanDerWaalsContact CD2-OE1 3.3Å; F345-E400 WeakPolarHBondContact CD2-OE1 3.39Å; F345-E400 HydrophobicContact CE2-CB 3.66Å; F345-E400 HydrophobicContact CE2-CG 3.79Å; F345-E400 HydrophobicContact CG-CG 4.09Å; F345-E400 HydrophobicContact CZ-CB 4.21Å; Y398-E400 HydrophobicContact CD2-CG 4.22Å; Y398-E400 HydrophobicContact CE1-CB 4.1Å; Y398-E400 HydrophobicContact CE1-CG 4.23Å; Y398-E400 HydrophobicContact CE2-CB 4.23Å; Y398-E400 HydrophobicContact CE2-CG 3.54Å; Y398-E400 VanDerWaalsContact CE2-OE2 3.3Å; Y398-E400 WeakPolarHBondContact CE2-OE2 3.5Å; Y398-E400 VanDerWaalsContact CZ-OE2 3.29Å; Y398-E400 WeakPolarHBondContact OH-CB 3.18Å; Y398-E400 PolarHBondContact OH-OE2 3.48Å; E400-A402 PolarHBondContact O-N 3.45Å; E400-W403 PolarHBondContact N-O 3.34Å; E400-W403 VanDerWaalsContact N-O 3.11Å; E400-W403 WeakPolarHBondContact O-CA 3.42Å; E400-W403 WeakPolarHBondContact O-CB 3.4Å; E400-W403 PolarHBondContact O-N 2.98Å; E400-W403 VanDerWaalsContact O-O 3.06Å
401	C	71.6	Confident	90	Very high	58 Å²	58	23.2 Å²	23.2	39%	0.392	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-131.2	178	-48.1	0	0	0	0	111.1	W403 K470 D477	C401-W403 VanDerWaalsContact C-N 3.27Å; C401-W403 PolarHBondContact O-N 2.9Å; C401-K470 WeakPolarHBondContact SG-CE 3.14Å; C401-K470 PolarHBondContact SG-NZ 2.92Å; C401-K470 VanDerWaalsContact SG-NZ 3.36Å; C401-D477 WeakPolarHBondContact CB-OD2 3.26Å
402	A	73.4	Confident	89.8	Confident	55 Å²	55	24.5 Å²	24.5	46%	0.455	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	13.2	175.4	0	0	0	0	0	114	E400 D477 K497	E400-A402 PolarHBondContact O-N 3.45Å; A402-D477 HydrophobicContact CB-CB 4.42Å; A402-D477 WeakPolarHBondContact CB-OD2 3.23Å; A402-D477 PolarHBondContact N-OD2 3.18Å; A402-K497 WeakPolarHBondContact O-CE 3.46Å; A402-K497 PolarHBondContact O-NZ 2.97Å
403	W	80.9	Confident	89.4	Confident	3 Å²	3	24.5 Å²	24.5	1%	0.011	14%	0.142	C	C	.	.			trans	-115.3	128	-174.6	-69.3	105	0	0	0	112.6	Y398 E399 E400 C401 I405 D477 L479 V495 K497 V517	Y398-W403 HydrophobicContact CD1-CB 4.1Å; Y398-W403 HydrophobicContact CE1-CB 4.09Å; E399-W403 CarbonylContact C-O 3.56Å; E399-W403 VanDerWaalsContact C-O 3.31Å; E399-W403 WeakPolarHBondContact CA-O 3.36Å; E400-W403 PolarHBondContact N-O 3.34Å; E400-W403 VanDerWaalsContact N-O 3.11Å; E400-W403 WeakPolarHBondContact O-CA 3.42Å; E400-W403 WeakPolarHBondContact O-CB 3.4Å; E400-W403 PolarHBondContact O-N 2.98Å; E400-W403 VanDerWaalsContact O-O 3.06Å; C401-W403 VanDerWaalsContact C-N 3.27Å; C401-W403 PolarHBondContact O-N 2.9Å; W403-I405 HydrophobicContact CE3-CG2 4.15Å; W403-D477 VanDerWaalsContact CZ2-O 3.23Å; W403-D477 WeakPolarHBondContact CZ2-O 3.26Å; W403-D477 PolarHBondContact NE1-O 2.63Å; W403-L479 HydrophobicContact CB-CD2 4.41Å; W403-L479 HydrophobicContact CD2-CB 4.16Å; W403-L479 HydrophobicContact CD2-CD2 3.6Å; W403-L479 HydrophobicContact CE3-CD2 3.83Å; W403-L479 HydrophobicContact CG-CD2 3.89Å; W403-L479 HydrophobicContact CH2-CB 4.42Å; W403-L479 HydrophobicContact CZ2-CB 3.7Å; W403-L479 HydrophobicContact CZ2-CD2 4.35Å; W403-L479 HydrophobicContact CZ3-CD2 4.28Å; W403-V495 HydrophobicContact CH2-CG1 3.97Å; W403-V495 WeakPolarHBondContact CH2-O 3.34Å; W403-V495 WeakPolarHBondContact CZ2-O 3.47Å; W403-V495 HydrophobicContact CZ3-CG1 3.95Å; W403-K497 HydrophobicContact CH2-CD 4.35Å; W403-K497 HydrophobicContact CH2-CG 3.49Å; W403-K497 VanDerWaalsContact CH2-CG 3.49Å; W403-K497 HydrophobicContact CZ2-CG 4.01Å; W403-K497 HydrophobicContact CZ3-CG 3.84Å; W403-V517 HydrophobicContact CH2-CG1 4.26Å; W403-V517 HydrophobicContact CZ3-CB 4.47Å; W403-V517 HydrophobicContact CZ3-CG1 3.67Å; W403-V517 HydrophobicContact CZ3-CG2 3.9Å
404	T	88.6	Confident	89.2	Confident	53 Å²	53	23.2 Å²	23.2	33%	0.325	13%	0.134	S	C	.	.			trans	-134.6	96.5	167.8	56.4	0	0	0	0	108.7	Y398 E399 L420 G421	Y398-T404 CarbonylContact O-C 3.37Å; Y398-T404 WeakPolarHBondContact O-CA 3.31Å; E399-T404 HydrophobicContact CB-CG2 4.35Å; E399-T404 HydrophobicContact CG-CG2 4.46Å; T404-L420 WeakPolarHBondContact O-CA 3.34Å; T404-L420 WeakPolarHBondContact O-CB 3.28Å; T404-L420 PolarHBondContact O-N 2.58Å; T404-G421 PolarHBondContact OG1-N 3.02Å
405	I	92.4	Very high	89.1	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.9	-174.4	60.6	158.4	0	0	0	111.9	Y398 W403 L417 W418 I465 L479	Y398-I405 PolarHBondContact N-O 3.45Å; Y398-I405 PolarHBondContact O-N 3Å; Y398-I405 VanDerWaalsContact O-O 3.11Å; W403-I405 HydrophobicContact CE3-CG2 4.15Å; I405-L417 HydrophobicContact CB-CD1 4.24Å; I405-L417 HydrophobicContact CD1-CD1 3.79Å; I405-W418 VanDerWaalsContact CA-O 3.28Å; I405-W418 WeakPolarHBondContact CA-O 3.37Å; I405-I465 HydrophobicContact CD1-CD1 4.46Å; I405-L479 HydrophobicContact CD1-CD2 3.7Å; I405-L479 HydrophobicContact CG1-CD2 4.49Å
406	A	95.3	Very high	89	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.6	155.4	0	0	0	0	0	108.5	I352 I373 L386 L396 L417 W418 L420	I352-A406 HydrophobicContact CD1-CB 3.94Å; I373-A406 HydrophobicContact CD1-CB 4.49Å; L386-A406 HydrophobicContact CD1-CB 3.56Å; L396-A406 WeakPolarHBondContact O-CA 3.23Å; A406-L417 WeakPolarHBondContact O-CD1 3.43Å; A406-W418 HydrophobicContact CB-CE3 4.47Å; A406-W418 PolarHBondContact N-O 3.47Å; A406-W418 VanDerWaalsContact N-O 3.08Å; A406-W418 PolarHBondContact O-N 3.26Å; A406-L420 HydrophobicContact CB-CD1 4.21Å; A406-L420 HydrophobicContact CB-CD2 4.29Å; A406-L420 HydrophobicContact CB-CG 4.46Å
407	A	95.2	Very high	89.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.7	170.8	0	0	0	0	0	110	C395 L396 A416 L417 L481	C395-A407 CarbonylContact C-O 3.38Å; C395-A407 WeakPolarHBondContact CA-O 3.43Å; L396-A407 HydrophobicContact CD1-CB 3.98Å; L396-A407 HydrophobicContact CD2-CB 4.36Å; L396-A407 HydrophobicContact CG-CB 3.95Å; L396-A407 PolarHBondContact N-O 2.89Å; L396-A407 PolarHBondContact O-N 2.92Å; A407-A416 CarbonylContact C-O 3.59Å; A407-A416 VanDerWaalsContact CA-O 3.25Å; A407-A416 WeakPolarHBondContact CA-O 3.35Å; A407-L417 HydrophobicContact CB-CD1 3.84Å; A407-L481 HydrophobicContact CB-CD1 3.73Å
408	S	96.2	Very high	89.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	142	179.4	-176.5	0	0	0	0	110.9	P392 C394 A416	P392-S408 WeakPolarHBondContact CB-OG 3.42Å; C394-S408 CarbonylContact O-C 3.59Å; C394-S408 WeakPolarHBondContact O-CA 3.41Å; C394-S408 WeakPolarHBondContact O-CB 3.47Å; C394-S408 PolarHBondContact O-OG 3.41Å; S408-A416 PolarHBondContact N-O 2.89Å; S408-A416 PolarHBondContact O-N 3.16Å
409	G	94.7	Very high	89.3	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	151	170.4	0	0	0	0	0	109.8	T393 C394	T393-G409 PolarHBondContact N-O 3.23Å; T393-G409 PolarHBondContact OG1-O 2.78Å; T393-G409 VanDerWaalsContact OG1-O 3.06Å; C394-G409 PolarHBondContact O-N 3.08Å
410	M	94.8	Very high	89.5	Confident	9 Å²	9	19.3 Å²	19.3	4%	0.044	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	167.2	-176.4	-66.1	-175.5	-62.1	0	0	112.5	C388 A390 E391 D412 G413 T414 A416 V460	C388-M410 HydrophobicContact CB-SD 3.52Å; C388-M410 VanDerWaalsContact CB-SD 3.52Å; A390-M410 HydrophobicContact CB-CB 3.99Å; A390-M410 HydrophobicContact CB-CE 4.43Å; A390-M410 HydrophobicContact CB-CG 4.43Å; A390-M410 HydrophobicContact CB-SD 3.94Å; E391-M410 CarbonylContact O-C 3.56Å; E391-M410 WeakPolarHBondContact O-CA 3.37Å; M410-D412 VanDerWaalsContact C-N 3.29Å; M410-D412 WeakPolarHBondContact CB-OD1 3.49Å; M410-D412 PolarHBondContact O-N 3.36Å; M410-G413 PolarHBondContact O-N 3.13Å; M410-T414 VanDerWaalsContact CE-CB 3.42Å; M410-T414 HydrophobicContact CE-CG2 3.31Å; M410-T414 PolarHBondContact N-O 2.98Å; M410-A416 HydrophobicContact CE-CB 4.27Å; M410-V460 PolarHBondContact O-N 2.93Å; M410-V460 VanDerWaalsContact O-N 3.08Å
411	D	93.3	Very high	89.9	Confident	77 Å²	77	17.8 Å²	17.8	41%	0.412	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.8	-176.1	68.4	-41.2	0	0	0	114	E391 T393 G413	E391-D411 HydrophobicContact CB-CB 4.36Å; E391-D411 WeakPolarHBondContact CB-OD1 3.39Å; E391-D411 PolarHBondContact N-OD1 3.3Å; E391-D411 PolarHBondContact O-N 3.47Å; E391-D411 VanDerWaalsContact O-N 3.08Å; T393-D411 HydrophobicContact CG2-CB 3.87Å; D411-G413 VanDerWaalsContact C-N 3.3Å
412	D	90.4	Very high	90.6	Very high	61 Å²	61	15.3 Å²	15.3	33%	0.326	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.2	171.7	71.2	-24	0	0	0	114.3	A390 M410 T414	A390-D412 HydrophobicContact CB-CB 4.22Å; M410-D412 VanDerWaalsContact C-N 3.29Å; M410-D412 WeakPolarHBondContact CB-OD1 3.49Å; M410-D412 PolarHBondContact O-N 3.36Å; D412-T414 VanDerWaalsContact CG-OG1 3.28Å; D412-T414 VanDerWaalsContact OD1-CB 3.24Å; D412-T414 WeakPolarHBondContact OD1-CB 3.26Å; D412-T414 PolarHBondContact OD1-N 2.8Å; D412-T414 PolarHBondContact OD1-OG1 3.03Å; D412-T414 WeakPolarHBondContact OD2-CB 3.5Å; D412-T414 PolarHBondContact OD2-OG1 3.3Å
413	G	89.2	Confident	91	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	91.9	-0.1	-174.3	0	0	0	0	0	115.3	M410 D411 S458 F485	M410-G413 PolarHBondContact O-N 3.13Å; D411-G413 VanDerWaalsContact C-N 3.3Å; G413-S458 WeakPolarHBondContact CA-O 3.42Å; G413-F485 WeakPolarHBondContact O-CE1 3.36Å
414	T	91.3	Very high	91.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.103	C	C	.	.			trans	-71.3	135	176.2	-63.4	0	0	0	0	111.2	M410 D412 D445 T446 A447	M410-T414 VanDerWaalsContact CE-CB 3.42Å; M410-T414 HydrophobicContact CE-CG2 3.31Å; M410-T414 PolarHBondContact N-O 2.98Å; D412-T414 VanDerWaalsContact CG-OG1 3.28Å; D412-T414 VanDerWaalsContact OD1-CB 3.24Å; D412-T414 WeakPolarHBondContact OD1-CB 3.26Å; D412-T414 PolarHBondContact OD1-N 2.8Å; D412-T414 PolarHBondContact OD1-OG1 3.03Å; D412-T414 WeakPolarHBondContact OD2-CB 3.5Å; D412-T414 PolarHBondContact OD2-OG1 3.3Å; T414-D445 HydrophobicContact CG2-CB 4.08Å; T414-T446 WeakPolarHBondContact CA-OG1 3.42Å; T414-A447 HydrophobicContact CG2-CB 3.9Å; T414-A447 WeakPolarHBondContact OG1-CA 3.15Å; T414-A447 WeakPolarHBondContact OG1-CB 3.4Å
415	V	92.1	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	167.1	-172.3	0	0	0	0	108.5	D445 T446 V460 I463 F485 W493 M519	V415-D445 CarbonylContact O-C 3.56Å; V415-D445 WeakPolarHBondContact O-CA 3.5Å; V415-T446 HydrophobicContact CB-CG2 4.1Å; V415-T446 PolarHBondContact N-OG1 2.88Å; V415-T446 PolarHBondContact O-N 3.44Å; V415-T446 VanDerWaalsContact O-N 3.09Å; V415-V460 HydrophobicContact CG2-CG2 4.13Å; V415-I463 HydrophobicContact CG1-CD1 3.76Å; V415-F485 HydrophobicContact CG2-CZ 4.12Å; V415-W493 HydrophobicContact CG2-CZ2 4.38Å; V415-M519 HydrophobicContact CB-CE 4.14Å; V415-M519 HydrophobicContact CG1-CE 3.8Å; V415-M519 HydrophobicContact CG1-SD 4.27Å
416	A	93.7	Very high	90.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.5	-177.1	0	0	0	0	0	112	A407 S408 M410 W418 P442 D445	A407-A416 CarbonylContact C-O 3.59Å; A407-A416 VanDerWaalsContact CA-O 3.25Å; A407-A416 WeakPolarHBondContact CA-O 3.35Å; S408-A416 PolarHBondContact N-O 2.89Å; S408-A416 PolarHBondContact O-N 3.16Å; M410-A416 HydrophobicContact CE-CB 4.27Å; A416-W418 HydrophobicContact CB-CH2 3.44Å; A416-W418 VanDerWaalsContact CB-CH2 3.44Å; A416-W418 HydrophobicContact CB-CZ2 4.1Å; A416-W418 HydrophobicContact CB-CZ3 3.72Å; A416-W418 WeakPolarHBondContact O-CZ3 3.15Å; A416-P442 HydrophobicContact CB-CB 4.37Å; A416-D445 HydrophobicContact CB-CB 4.21Å
417	L	93.6	Very high	90	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137	-175.2	-174.3	73.5	0	0	0	111.2	I405 A406 A407 T443 Y444 V495 V517 M519	I405-L417 HydrophobicContact CB-CD1 4.24Å; I405-L417 HydrophobicContact CD1-CD1 3.79Å; A406-L417 WeakPolarHBondContact O-CD1 3.43Å; A407-L417 HydrophobicContact CB-CD1 3.84Å; L417-T443 PolarHBondContact O-N 2.85Å; L417-Y444 PolarHBondContact N-O 2.87Å; L417-Y444 PolarHBondContact O-N 3.4Å; L417-V495 HydrophobicContact CD2-CG1 3.87Å; L417-V517 HydrophobicContact CD2-CB 4.37Å; L417-V517 HydrophobicContact CD2-CG1 3.56Å; L417-M519 HydrophobicContact CB-CE 4.16Å; L417-M519 HydrophobicContact CB-CG 4.39Å; L417-M519 HydrophobicContact CB-SD 4.07Å; L417-M519 HydrophobicContact CD2-CG 3.61Å; L417-M519 HydrophobicContact CD2-SD 4.16Å
418	W	94.5	Very high	89.7	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.2	179	-62.3	-103.2	0	0	0	111.3	L371 L386 L387 C388 I405 A406 A416 L420 R440 R441 P442	L371-W418 HydrophobicContact CD1-CE3 4.31Å; L371-W418 HydrophobicContact CD1-CH2 3.73Å; L371-W418 HydrophobicContact CD1-CZ2 4.35Å; L371-W418 HydrophobicContact CD1-CZ3 3.71Å; L386-W418 HydrophobicContact CB-CD2 4.16Å; L386-W418 HydrophobicContact CB-CG 4.33Å; L386-W418 HydrophobicContact CB-CZ2 4.17Å; L386-W418 HydrophobicContact CD1-CB 4.37Å; L386-W418 HydrophobicContact CD1-CD2 4.03Å; L386-W418 HydrophobicContact CD1-CE3 4.32Å; L386-W418 HydrophobicContact CD1-CG 4.06Å; L386-W418 HydrophobicContact CD2-CB 4.35Å; L386-W418 HydrophobicContact CD2-CG 4.07Å; L386-W418 HydrophobicContact CG-CG 4.39Å; L387-W418 WeakPolarHBondContact O-CZ2 3.25Å; C388-W418 VanDerWaalsContact SG-CH2 3.59Å; I405-W418 VanDerWaalsContact CA-O 3.28Å; I405-W418 WeakPolarHBondContact CA-O 3.37Å; A406-W418 HydrophobicContact CB-CE3 4.47Å; A406-W418 PolarHBondContact N-O 3.47Å; A406-W418 VanDerWaalsContact N-O 3.08Å; A406-W418 PolarHBondContact O-N 3.26Å; A416-W418 HydrophobicContact CB-CH2 3.44Å; A416-W418 VanDerWaalsContact CB-CH2 3.44Å; A416-W418 HydrophobicContact CB-CZ2 4.1Å; A416-W418 HydrophobicContact CB-CZ3 3.72Å; A416-W418 WeakPolarHBondContact O-CZ3 3.15Å; W418-L420 HydrophobicContact CB-CD2 4.35Å; W418-L420 PolarHBondContact O-N 2.73Å; W418-R440 PolarHBondContact NE1-O 3.44Å; W418-R441 VanDerWaalsContact NE1-C 3.31Å; W418-P442 HydrophobicContact CZ2-CB 4.47Å; W418-P442 VanDerWaalsContact NE1-N 3.14Å
419	D	91.2	Very high	89.3	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.059	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	104.8	166.5	176.2	8.8	0	0	0	109.5	G421 E422 R440 T443 R516 V517	D419-G421 PolarHBondContact O-N 2.88Å; D419-G421 WeakPolarHBondContact OD1-CA 3.33Å; D419-G421 PolarHBondContact OD1-N 2.73Å; D419-E422 HydrophobicContact CB-CG 3.85Å; D419-E422 WeakPolarHBondContact O-CB 3.19Å; D419-E422 PolarHBondContact O-N 2.83Å; D419-E422 PolarHBondContact OD1-N 2.93Å; D419-R440 PolarHBondContact O-NH1 3.46Å; D419-R440 VanDerWaalsContact O-NH1 3.11Å; D419-T443 HydrophobicContact CB-CG2 4.25Å; D419-T443 PolarHBondContact N-OG1 2.83Å; D419-R516 IonicContact OD1-NH2 3.05Å; D419-R516 IonicContact OD2-CZ 3.37Å; D419-R516 VanDerWaalsContact OD2-CZ 3.26Å; D419-R516 IonicContact OD2-NE 3.59Å; D419-R516 PolarHBondContact OD2-NE 3.3Å; D419-R516 IonicContact OD2-NH2 2.72Å; D419-R516 PolarHBondContact OD2-NH2 2.82Å; D419-V517 HydrophobicContact CB-CG2 3.93Å
420	L	90.7	Very high	89.1	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.6	176.8	-54.1	179.6	0	0	0	111.7	I373 K384 L386 L397 T404 A406 W418 E422 R440	I373-L420 HydrophobicContact CD1-CD1 3.77Å; I373-L420 HydrophobicContact CD1-CD2 3.85Å; I373-L420 HydrophobicContact CD1-CG 4.5Å; K384-L420 HydrophobicContact CD-CD2 4.15Å; K384-L420 PolarHBondContact NZ-O 3.47Å; L386-L420 HydrophobicContact CD1-CD2 4.35Å; L386-L420 HydrophobicContact CD2-CD2 4.05Å; L397-L420 HydrophobicContact CD1-CD1 3.34Å; T404-L420 WeakPolarHBondContact O-CA 3.34Å; T404-L420 WeakPolarHBondContact O-CB 3.28Å; T404-L420 PolarHBondContact O-N 2.58Å; A406-L420 HydrophobicContact CB-CD1 4.21Å; A406-L420 HydrophobicContact CB-CD2 4.29Å; A406-L420 HydrophobicContact CB-CG 4.46Å; W418-L420 HydrophobicContact CB-CD2 4.35Å; W418-L420 PolarHBondContact O-N 2.73Å; L420-E422 VanDerWaalsContact C-N 3.29Å; L420-R440 PolarHBondContact O-NH1 3.28Å
421	G	85.6	Confident	88.7	Confident	35 Å²	35	40.3 Å²	40.3	36%	0.361	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.7	169.3	0	0	0	0	0	113.7	T404 D419 R516	T404-G421 PolarHBondContact OG1-N 3.02Å; D419-G421 PolarHBondContact O-N 2.88Å; D419-G421 WeakPolarHBondContact OD1-CA 3.33Å; D419-G421 PolarHBondContact OD1-N 2.73Å; G421-R516 PolarHBondContact O-NH2 3.35Å
422	E	84.7	Confident	88.3	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.028	21%	0.208	C	C	.	.	S	Bend	trans	-62.3	138.2	177.9	-76.2	174.4	-167.9	0	0	110.8	D419 L420 W426 H427 R440 T443	D419-E422 HydrophobicContact CB-CG 3.85Å; D419-E422 WeakPolarHBondContact O-CB 3.19Å; D419-E422 PolarHBondContact O-N 2.83Å; D419-E422 PolarHBondContact OD1-N 2.93Å; L420-E422 VanDerWaalsContact C-N 3.29Å; E422-W426 HydrophobicContact CB-CE3 4.09Å; E422-W426 HydrophobicContact CB-CZ3 4.5Å; E422-W426 HydrophobicContact CG-CE3 3.98Å; E422-W426 HydrophobicContact CG-CZ3 4.05Å; E422-H427 WeakPolarHBondContact CB-NE2 3.45Å; E422-H427 IonicContact OE2-CE1 2.73Å; E422-H427 PolarHBondContact OE2-CE1 3.28Å; E422-H427 IonicContact OE2-NE2 3.26Å; E422-H427 PolarHBondContact OE2-NE2 3.15Å; E422-R440 VanDerWaalsContact O-CZ 3.26Å; E422-R440 PolarHBondContact O-NH1 2.86Å; E422-R440 PolarHBondContact O-NH2 3.03Å; E422-T443 WeakPolarHBondContact OE1-CB 3.29Å; E422-T443 WeakPolarHBondContact OE1-CG2 3.36Å; E422-T443 PolarHBondContact OE1-OG1 2.87Å
423	P	82.8	Confident	87.9	Confident	48 Å²	48	42 Å²	42	31%	0.312	22%	0.224	S	C	.	.			trans	-54.8	137.6	176	-28	35.8	0	0	0	113.4	C425 W426 H427	P423-C425 PolarHBondContact O-N 2.77Å; P423-C425 VanDerWaalsContact O-N 3.14Å; P423-W426 HydrophobicContact CB-CD2 4.35Å; P423-W426 HydrophobicContact CB-CG 4.26Å; P423-W426 HydrophobicContact CG-CD2 4.11Å; P423-W426 HydrophobicContact CG-CZ2 3.99Å; P423-W426 PolarHBondContact O-N 2.9Å; P423-H427 PolarHBondContact O-CD2 2.78Å; P423-H427 VanDerWaalsContact O-CD2 3.23Å
424	D	84.5	Confident	87.4	Confident	43 Å²	43	51.8 Å²	51.8	23%	0.23	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24.7	-179.8	-75	-49.8	0	0	0	113.2	R302 W426 H427 T438 R440	R302-D424 IonicContact CZ-OD2 2.74Å; R302-D424 IonicContact NH1-OD2 3.16Å; R302-D424 IonicContact NH2-OD2 3.6Å; R302-D424 PolarHBondContact NH2-OD2 2.99Å; D424-W426 VanDerWaalsContact C-N 3.28Å; D424-W426 PolarHBondContact O-N 3.11Å; D424-H427 PolarHBondContact O-N 3.5Å; D424-T438 HydrophobicContact CB-CG2 3.91Å; D424-T438 PolarHBondContact OD1-OG1 3.35Å; D424-R440 IonicContact OD1-CZ 3.73Å; D424-R440 IonicContact OD1-NH2 2.7Å; D424-R440 PolarHBondContact OD1-NH2 2.82Å
425	C	82.2	Confident	87	Confident	111 Å²	111	54.5 Å²	54.5	75%	0.75	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-75	-5.6	175.8	58.5	0	0	0	0	115.3	P423 H427	P423-C425 PolarHBondContact O-N 2.77Å; P423-C425 VanDerWaalsContact O-N 3.14Å; C425-H427 VanDerWaalsContact C-N 3.3Å
426	W	81.6	Confident	86.8	Confident	115 Å²	115	59 Å²	59	44%	0.436	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-87.4	1.3	173.3	-64.2	1.1	0	0	0	112.9	E422 P423 D424 N514	E422-W426 HydrophobicContact CB-CE3 4.09Å; E422-W426 HydrophobicContact CB-CZ3 4.5Å; E422-W426 HydrophobicContact CG-CE3 3.98Å; E422-W426 HydrophobicContact CG-CZ3 4.05Å; P423-W426 HydrophobicContact CB-CD2 4.35Å; P423-W426 HydrophobicContact CB-CG 4.26Å; P423-W426 HydrophobicContact CG-CD2 4.11Å; P423-W426 HydrophobicContact CG-CZ2 3.99Å; P423-W426 PolarHBondContact O-N 2.9Å; D424-W426 VanDerWaalsContact C-N 3.28Å; D424-W426 PolarHBondContact O-N 3.11Å; W426-N514 HydrophobicContact CE3-CB 4.48Å; W426-N514 HydrophobicContact CH2-CB 4.11Å; W426-N514 HydrophobicContact CZ3-CB 4.03Å; W426-N514 WeakPolarHBondContact CZ3-O 3.49Å
427	H	88.3	Confident	86.6	Confident	23 Å²	23	59.2 Å²	59.2	11%	0.106	31%	0.314	C	S	.	.	S	Bend	trans	-123.4	161.7	-167.9	-64	-67.6	0	0	0	112.6	E422 P423 D424 C425 T429 R440	E422-H427 WeakPolarHBondContact CB-NE2 3.45Å; E422-H427 IonicContact OE2-CE1 2.73Å; E422-H427 PolarHBondContact OE2-CE1 3.28Å; E422-H427 IonicContact OE2-NE2 3.26Å; E422-H427 PolarHBondContact OE2-NE2 3.15Å; P423-H427 PolarHBondContact O-CD2 2.78Å; P423-H427 VanDerWaalsContact O-CD2 3.23Å; D424-H427 PolarHBondContact O-N 3.5Å; C425-H427 VanDerWaalsContact C-N 3.3Å; H427-T429 PolarHBondContact O-N 3.23Å; H427-R440 HydrophobicContact CB-CG 4.32Å; H427-R440 PolarHBondContact CD2-NE 3.39Å; H427-R440 PolarHBondContact NE2-NH1 2.83Å
428	R	88.1	Confident	86.5	Confident	123 Å²	123	59.8 Å²	59.8	46%	0.464	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.6	172.3	-178.5	-177.2	-179.8	-169.3	1.3	108.7	S364 I430 V439	S364-R428 PolarHBondContact OG-NH1 3.37Å; R428-I430 HydrophobicContact CG-CG2 4.34Å; R428-V439 PolarHBondContact N-O 3.2Å; R428-V439 PolarHBondContact O-N 3.14Å
429	T	88.9	Confident	86.5	Confident	66 Å²	66	60.1 Å²	60.1	41%	0.405	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.7	168	-54.6	0	0	0	0	110.3	H427 D436 V437	H427-T429 PolarHBondContact O-N 3.23Å; T429-D436 HydrophobicContact CG2-CB 3.5Å; T429-D436 VanDerWaalsContact CG2-CB 3.5Å; T429-D436 VanDerWaalsContact CG2-CG 3.49Å; T429-V437 WeakPolarHBondContact CA-O 3.21Å
430	I	89.4	Confident	86.5	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.2	171.9	59.2	174.9	0	0	0	110.8	L331 F365 L385 R428 V437 V439	L331-I430 HydrophobicContact CD1-CD1 3.43Å; L331-I430 VanDerWaalsContact CD1-CD1 3.43Å; L331-I430 HydrophobicContact CD2-CD1 3.98Å; L331-I430 HydrophobicContact CG-CD1 4.34Å; F365-I430 HydrophobicContact CE2-CD1 4.32Å; L385-I430 HydrophobicContact CD1-CD1 4.12Å; R428-I430 HydrophobicContact CG-CG2 4.34Å; I430-V437 PolarHBondContact N-O 3.38Å; I430-V437 PolarHBondContact O-N 3.43Å; I430-V439 HydrophobicContact CD1-CG2 3.53Å; I430-V439 HydrophobicContact CG1-CG2 3.8Å; I430-V439 HydrophobicContact CG2-CG2 4.27Å
431	P	87.1	Confident	86.6	Confident	110 Å²	110	65 Å²	65	71%	0.714	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.1	177.8	28.7	-35.2	0	0	0	111.2
432	W	85.2	Confident	86.9	Confident	22 Å²	22	64 Å²	64	8%	0.083	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	102.3	-177	-176.1	-79.5	0	0	0	110.7	S327 L331 W374 D380 K381 P382 E434 S435 V437	S327-W432 WeakPolarHBondContact O-CH2 3.41Å; L331-W432 HydrophobicContact CD1-CE3 4.12Å; L331-W432 HydrophobicContact CD1-CZ3 3.73Å; L331-W432 HydrophobicContact CG-CZ3 4.15Å; W374-W432 HydrophobicContact CH2-CZ2 4.38Å; D380-W432 PolarHBondContact O-NE1 3.08Å; K381-W432 HydrophobicContact CB-CD2 4.47Å; K381-W432 HydrophobicContact CB-CG 4.13Å; P382-W432 VanDerWaalsContact CD-CZ2 3.43Å; P382-W432 HydrophobicContact CG-CH2 4.24Å; P382-W432 HydrophobicContact CG-CZ2 4.37Å; P382-W432 HydrophobicContact CG-CZ3 4.41Å; W432-E434 PolarHBondContact O-N 3.23Å; W432-S435 CarbonylContact C-O 3.38Å; W432-S435 WeakPolarHBondContact CA-O 3.29Å; W432-S435 PolarHBondContact N-O 2.86Å; W432-S435 CarbonylContact O-C 3.43Å; W432-S435 PolarHBondContact O-N 3.18Å; W432-V437 HydrophobicContact CB-CB 4.28Å; W432-V437 HydrophobicContact CB-CG2 3.63Å; W432-V437 HydrophobicContact CD2-CG2 4.02Å; W432-V437 HydrophobicContact CE3-CG2 4.36Å; W432-V437 HydrophobicContact CG-CG2 3.69Å
433	K	81.6	Confident	87.2	Confident	153 Å²	153	63.9 Å²	63.9	67%	0.665	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-118.5	-171.6	-56.2	171.9	173.8	172.3	0	109.9	D380	D380-K433 WeakPolarHBondContact O-CE 3.31Å; D380-K433 PolarHBondContact O-NZ 2.89Å; D380-K433 IonicContact OD1-NZ 3.11Å; D380-K433 PolarHBondContact OD1-NZ 2.89Å; D380-K433 VanDerWaalsContact OD1-NZ 3.11Å
434	E	78.2	Confident	87.4	Confident	205 Å²	205	62.4 Å²	62.4	96%	0.958	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	15.9	179.1	-59.7	173.2	174.2	0	0	112.5	W432	W432-E434 PolarHBondContact O-N 3.23Å
435	S	83.9	Confident	87.6	Confident	58 Å²	58	62.5 Å²	62.5	41%	0.406	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-175.7	-173.6	-158.4	0	0	0	0	110.9	K381 W432	K381-S435 PolarHBondContact NZ-OG 2.97Å; W432-S435 CarbonylContact C-O 3.38Å; W432-S435 WeakPolarHBondContact CA-O 3.29Å; W432-S435 PolarHBondContact N-O 2.86Å; W432-S435 CarbonylContact O-C 3.43Å; W432-S435 PolarHBondContact O-N 3.18Å
436	D	87.5	Confident	87.9	Confident	94 Å²	94	57.2 Å²	57.2	50%	0.503	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.7	179.7	-83.2	-35.9	0	0	0	112.1	K381 T429	K381-D436 PolarHBondContact NZ-O 3.41Å; T429-D436 HydrophobicContact CG2-CB 3.5Å; T429-D436 VanDerWaalsContact CG2-CB 3.5Å; T429-D436 VanDerWaalsContact CG2-CG 3.49Å
437	V	89.9	Confident	87.9	Confident	5 Å²	5	54 Å²	54	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138	173.1	171.3	0	0	0	0	109.6	K381 P382 L385 T429 I430 W432	K381-V437 HydrophobicContact CB-CG2 4.2Å; K381-V437 HydrophobicContact CD-CG2 4.04Å; K381-V437 HydrophobicContact CG-CG2 4.47Å; P382-V437 HydrophobicContact CG-CG1 4.13Å; P382-V437 HydrophobicContact CG-CG2 4.29Å; L385-V437 HydrophobicContact CB-CG1 4.41Å; L385-V437 HydrophobicContact CD1-CG1 3.72Å; L385-V437 HydrophobicContact CG-CG1 3.75Å; T429-V437 WeakPolarHBondContact CA-O 3.21Å; I430-V437 PolarHBondContact N-O 3.38Å; I430-V437 PolarHBondContact O-N 3.43Å; W432-V437 HydrophobicContact CB-CB 4.28Å; W432-V437 HydrophobicContact CB-CG2 3.63Å; W432-V437 HydrophobicContact CD2-CG2 4.02Å; W432-V437 HydrophobicContact CE3-CG2 4.36Å; W432-V437 HydrophobicContact CG-CG2 3.69Å
438	T	91.5	Very high	87	Confident	13 Å²	13	58.7 Å²	58.7	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.2	175	51.9	0	0	0	0	112	L385 D424	L385-T438 PolarHBondContact N-O 3.05Å; D424-T438 HydrophobicContact CB-CG2 3.91Å; D424-T438 PolarHBondContact OD1-OG1 3.35Å
439	V	92.9	Very high	86	Confident	8 Å²	8	56 Å²	56	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.7	175.2	-172.4	0	0	0	0	109	F365 L385 L387 R428 I430	F365-V439 HydrophobicContact CE1-CG1 4.1Å; F365-V439 HydrophobicContact CZ-CG1 4.1Å; F365-V439 HydrophobicContact CZ-CG2 4.17Å; L385-V439 HydrophobicContact CB-CG1 4.5Å; L385-V439 HydrophobicContact CB-CG2 4.2Å; L385-V439 HydrophobicContact CD1-CG2 4.24Å; L385-V439 CarbonylContact O-C 3.59Å; L385-V439 WeakPolarHBondContact O-CA 3.48Å; L387-V439 HydrophobicContact CB-CG1 4.28Å; R428-V439 PolarHBondContact N-O 3.2Å; R428-V439 PolarHBondContact O-N 3.14Å; I430-V439 HydrophobicContact CD1-CG2 3.53Å; I430-V439 HydrophobicContact CG1-CG2 3.8Å; I430-V439 HydrophobicContact CG2-CG2 4.27Å
440	R	93.1	Very high	84.5	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.7	-175.6	-47.6	-165.7	169.3	-150.3	-10.2	110.8	L385 L386 L387 W418 D419 L420 E422 D424 H427	L385-R440 PolarHBondContact O-N 3.23Å; L386-R440 CarbonylContact C-O 3.53Å; L386-R440 VanDerWaalsContact CA-O 3.29Å; L386-R440 WeakPolarHBondContact CA-O 3.49Å; L386-R440 HydrophobicContact CD2-CB 3.87Å; L386-R440 HydrophobicContact CD2-CG 4.15Å; L387-R440 PolarHBondContact N-O 3.5Å; W418-R440 PolarHBondContact NE1-O 3.44Å; D419-R440 PolarHBondContact O-NH1 3.46Å; D419-R440 VanDerWaalsContact O-NH1 3.11Å; L420-R440 PolarHBondContact O-NH1 3.28Å; E422-R440 VanDerWaalsContact O-CZ 3.26Å; E422-R440 PolarHBondContact O-NH1 2.86Å; E422-R440 PolarHBondContact O-NH2 3.03Å; D424-R440 IonicContact OD1-CZ 3.73Å; D424-R440 IonicContact OD1-NH2 2.7Å; D424-R440 PolarHBondContact OD1-NH2 2.82Å; H427-R440 HydrophobicContact CB-CG 4.32Å; H427-R440 PolarHBondContact CD2-NE 3.39Å; H427-R440 PolarHBondContact NE2-NH1 2.83Å
441	R	92.2	Very high	82.6	Confident	121 Å²	121	55.9 Å²	55.9	46%	0.457	30%	0.296	S	S	.	.			trans	-64	158.3	156.8	-87.8	-174.9	166	107.4	8.2	110.6	L387 E389 W418 K512	L387-R441 HydrophobicContact CB-CG 4.32Å; L387-R441 HydrophobicContact CD2-CG 3.98Å; E389-R441 IonicContact OE1-CZ 3.07Å; E389-R441 VanDerWaalsContact OE1-CZ 3.23Å; E389-R441 IonicContact OE1-NE 2.72Å; E389-R441 PolarHBondContact OE1-NE 2.82Å; E389-R441 IonicContact OE1-NH2 2.73Å; E389-R441 PolarHBondContact OE1-NH2 3.38Å; E389-R441 IonicContact OE2-NH2 3.82Å; W418-R441 VanDerWaalsContact NE1-C 3.31Å; R441-K512 PolarHBondContact O-NZ 3.34Å
442	P	92.4	Very high	81	Confident	15 Å²	15	55.9 Å²	55.9	10%	0.097	29%	0.29	C	S	.	.			trans	-48.6	153.2	174.4	17.2	-31	0	0	0	112.9	L387 A416 W418 D445 K512	L387-P442 WeakPolarHBondContact O-CD 3.32Å; A416-P442 HydrophobicContact CB-CB 4.37Å; W418-P442 HydrophobicContact CZ2-CB 4.47Å; W418-P442 VanDerWaalsContact NE1-N 3.14Å; P442-D445 HydrophobicContact CB-CB 4.33Å; P442-D445 HydrophobicContact CG-CB 4.25Å; P442-K512 VanDerWaalsContact O-CD 3.31Å; P442-K512 WeakPolarHBondContact O-CD 3.48Å; P442-K512 WeakPolarHBondContact O-CE 3.35Å; P442-K512 PolarHBondContact O-NZ 3.1Å
443	T	89.8	Confident	79.6	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	31%	0.306	C	S	.	.	S	Bend	trans	-82	-35.3	166.6	-57.7	0	0	0	0	109.6	L417 D419 E422 L511 K512	L417-T443 PolarHBondContact O-N 2.85Å; D419-T443 HydrophobicContact CB-CG2 4.25Å; D419-T443 PolarHBondContact N-OG1 2.83Å; E422-T443 WeakPolarHBondContact OE1-CB 3.29Å; E422-T443 WeakPolarHBondContact OE1-CG2 3.36Å; E422-T443 PolarHBondContact OE1-OG1 2.87Å; T443-L511 HydrophobicContact CG2-CD1 4.25Å; T443-K512 WeakPolarHBondContact O-CB 3.3Å; T443-K512 PolarHBondContact O-N 3.48Å; T443-K512 VanDerWaalsContact O-N 3.07Å
444	Y	88.2	Confident	78.4	Confident	17 Å²	17	60 Å²	60	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141.1	176.7	-173.9	-84.2	0	0	0	109.3	L417 T446 L510 L511 K518 M519	L417-Y444 PolarHBondContact N-O 2.87Å; L417-Y444 PolarHBondContact O-N 3.4Å; Y444-T446 HydrophobicContact CE1-CG2 4.48Å; Y444-L510 WeakPolarHBondContact CA-O 3.36Å; Y444-L510 HydrophobicContact CD2-CB 3.91Å; Y444-L510 HydrophobicContact CE2-CB 3.43Å; Y444-L510 VanDerWaalsContact CE2-CB 3.43Å; Y444-L510 HydrophobicContact CE2-CD1 4.07Å; Y444-L510 HydrophobicContact CE2-CG 4.39Å; Y444-L510 VanDerWaalsContact OH-CD1 3.29Å; Y444-L510 WeakPolarHBondContact OH-CD1 3.32Å; Y444-L511 HydrophobicContact CD2-CB 4.33Å; Y444-L511 HydrophobicContact CD2-CD1 4.44Å; Y444-K518 HydrophobicContact CD2-CB 3.55Å; Y444-K518 HydrophobicContact CE2-CB 3.73Å; Y444-K518 HydrophobicContact CG-CB 4.27Å; Y444-M519 HydrophobicContact CD1-CB 3.93Å; Y444-M519 HydrophobicContact CD1-CE 3.72Å; Y444-M519 HydrophobicContact CD1-CG 4Å; Y444-M519 HydrophobicContact CE1-CB 3.68Å; Y444-M519 HydrophobicContact CE1-CE 4.03Å; Y444-M519 HydrophobicContact CE1-CG 4.27Å; Y444-M519 VanDerWaalsContact CZ-O 3.31Å; Y444-M519 PolarHBondContact OH-O 2.84Å
445	D	88.6	Confident	77.3	Confident	45 Å²	45	54.8 Å²	54.8	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	171.6	170.8	67.8	67.1	0	0	0	111.2	T414 V415 A416 P442 A447	T414-D445 HydrophobicContact CG2-CB 4.08Å; V415-D445 CarbonylContact O-C 3.56Å; V415-D445 WeakPolarHBondContact O-CA 3.5Å; A416-D445 HydrophobicContact CB-CB 4.21Å; P442-D445 HydrophobicContact CB-CB 4.33Å; P442-D445 HydrophobicContact CG-CB 4.25Å; D445-A447 WeakPolarHBondContact OD1-CB 3.43Å; D445-A447 PolarHBondContact OD1-N 3.27Å
446	T	87	Confident	76.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.			trans	-106.6	8.6	179.8	67	0	0	0	0	113.9	T414 V415 Y444 F448 F449 W493 M519	T414-T446 WeakPolarHBondContact CA-OG1 3.42Å; V415-T446 HydrophobicContact CB-CG2 4.1Å; V415-T446 PolarHBondContact N-OG1 2.88Å; V415-T446 PolarHBondContact O-N 3.44Å; V415-T446 VanDerWaalsContact O-N 3.09Å; Y444-T446 HydrophobicContact CE1-CG2 4.48Å; T446-F448 PolarHBondContact O-N 2.99Å; T446-F449 PolarHBondContact O-N 2.69Å; T446-W493 HydrophobicContact CG2-CH2 3.56Å; T446-W493 HydrophobicContact CG2-CZ2 4.08Å; T446-W493 HydrophobicContact CG2-CZ3 3.96Å; T446-M519 HydrophobicContact CG2-CE 4.1Å
447	A	82.1	Confident	75.4	Confident	48 Å²	48	50.8 Å²	50.8	40%	0.397	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	-167.2	0	0	0	0	0	113.4	T414 D445	T414-A447 HydrophobicContact CG2-CB 3.9Å; T414-A447 WeakPolarHBondContact OG1-CA 3.15Å; T414-A447 WeakPolarHBondContact OG1-CB 3.4Å; D445-A447 WeakPolarHBondContact OD1-CB 3.43Å; D445-A447 PolarHBondContact OD1-N 3.27Å
448	F	69.9	Low	75	Confident	121 Å²	121	51.6 Å²	51.6	53%	0.531	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.5	173.9	-170.5	-98.6	0	0	0	112.9	T446 L510	T446-F448 PolarHBondContact O-N 2.99Å; F448-L510 HydrophobicContact CB-CD2 3.46Å; F448-L510 VanDerWaalsContact CB-CD2 3.46Å; F448-L510 HydrophobicContact CD1-CD2 4.42Å; F448-L510 HydrophobicContact CG-CD2 4.14Å
449	F	66	Low	74.9	Confident	67 Å²	67	54.7 Å²	54.7	29%	0.294	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-73.2	-35.5	-178.6	-63.8	-63.4	0	0	0	112.3	T446 G451 D452 D453 L510	T446-F449 PolarHBondContact O-N 2.69Å; F449-G451 PolarHBondContact O-N 3.02Å; F449-D452 PolarHBondContact O-N 3.44Å; F449-D453 PolarHBondContact O-N 3.24Å; F449-L510 HydrophobicContact CD2-CD1 4.44Å; F449-L510 HydrophobicContact CE2-CD1 3.42Å; F449-L510 VanDerWaalsContact CE2-CD1 3.42Å; F449-L510 HydrophobicContact CE2-CD2 4.38Å; F449-L510 HydrophobicContact CZ-CD1 3.51Å
450	C	57.5	Low	74.8	Confident	19 Å²	19	54.3 Å²	54.3	13%	0.128	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.8	-7.1	179.5	-57.5	0	0	0	0	114.2	M456 C457	C450-M456 PolarHBondContact SG-O 3.24Å; C450-C457 PolarHBondContact O-SG 2.88Å
451	G	49.9	Very low	74.6	Confident	49 Å²	49	57.4 Å²	57.4	51%	0.505	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-95.3	-18	173.2	0	0	0	0	0	115.8	F449	F449-G451 PolarHBondContact O-N 3.02Å
452	D	54.2	Low	74.4	Confident	110 Å²	110	56 Å²	56	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-36.7	-174.3	-70.7	-4.3	0	0	0	112.2	R37 F449	R37-D452 IonicContact CZ-OD1 3.64Å; R37-D452 IonicContact NH1-OD1 2.7Å; R37-D452 PolarHBondContact NH1-OD1 2.7Å; R37-D452 IonicContact NH2-OD1 3.23Å; R37-D452 PolarHBondContact NH2-OD1 2.93Å; F449-D452 PolarHBondContact O-N 3.44Å
453	D	55.1	Low	74.2	Confident	76 Å²	76	55.7 Å²	55.7	41%	0.406	30%	0.303	S	S	.	.			trans	-91.1	102.6	170.6	-81.7	-15.8	0	0	0	110.5	F449 D455 M456	F449-D453 PolarHBondContact O-N 3.24Å; D453-D455 PolarHBondContact O-N 2.78Å; D453-D455 VanDerWaalsContact O-N 3.12Å; D453-M456 HydrophobicContact CB-CB 4.35Å; D453-M456 HydrophobicContact CB-CG 4Å; D453-M456 WeakPolarHBondContact O-CB 3.36Å; D453-M456 PolarHBondContact O-N 2.74Å
454	K	56.1	Low	74	Confident	185 Å²	185	60.7 Å²	60.7	80%	0.804	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.9	-28.6	-179.1	-71.8	-174.7	176.4	-176.7	0	114.6	M456 C457	K454-M456 PolarHBondContact O-N 3.23Å; K454-C457 PolarHBondContact O-N 2.93Å; K454-C457 PolarHBondContact O-SG 2.98Å
455	D	55.9	Low	73.8	Confident	96 Å²	96	61.5 Å²	61.5	51%	0.513	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.4	-32.9	178.3	-67.1	-68.2	0	0	0	111.9	D453 C457 N487 Q489	D453-D455 PolarHBondContact O-N 2.78Å; D453-D455 VanDerWaalsContact O-N 3.12Å; D455-C457 VanDerWaalsContact C-N 3.26Å; D455-C457 PolarHBondContact O-N 3.43Å; D455-N487 PolarHBondContact O-ND2 3.08Å; D455-Q489 PolarHBondContact O-OE1 2.92Å; D455-Q489 PolarHBondContact OD1-NE2 2.89Å; D455-Q489 VanDerWaalsContact OD1-NE2 3.08Å
456	M	60.5	Low	73.1	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-81.6	3	-178.4	-63.5	-118.5	55.1	0	0	113.8	C450 D453 K454 F485 I491 W493	C450-M456 PolarHBondContact SG-O 3.24Å; D453-M456 HydrophobicContact CB-CB 4.35Å; D453-M456 HydrophobicContact CB-CG 4Å; D453-M456 WeakPolarHBondContact O-CB 3.36Å; D453-M456 PolarHBondContact O-N 2.74Å; K454-M456 PolarHBondContact O-N 3.23Å; M456-F485 HydrophobicContact CE-CE1 3.82Å; M456-F485 HydrophobicContact CE-CE2 4.12Å; M456-F485 HydrophobicContact CE-CZ 3.32Å; M456-I491 HydrophobicContact CE-CD1 3.51Å; M456-I491 HydrophobicContact SD-CD1 3.94Å; M456-W493 HydrophobicContact CE-CZ2 4.27Å; M456-W493 HydrophobicContact SD-CH2 4.41Å
457	C	70.1	Confident	72.1	Confident	68 Å²	68	65.5 Å²	65.5	46%	0.459	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-89.9	1.8	176.6	-48.9	0	0	0	0	113.6	C450 K454 D455	C450-C457 PolarHBondContact O-SG 2.88Å; K454-C457 PolarHBondContact O-N 2.93Å; K454-C457 PolarHBondContact O-SG 2.98Å; D455-C457 VanDerWaalsContact C-N 3.26Å; D455-C457 PolarHBondContact O-N 3.43Å
458	S	82.7	Confident	71.4	Confident	21 Å²	21	64.5 Å²	64.5	15%	0.147	34%	0.344	C	S	.	.	S	Bend	trans	-79.3	142.6	174.7	-172.8	0	0	0	0	109.9	G413 V460 F485 E486 N487	G413-S458 WeakPolarHBondContact CA-O 3.42Å; S458-V460 PolarHBondContact O-N 2.92Å; S458-F485 VanDerWaalsContact O-CD1 3.25Å; S458-F485 WeakPolarHBondContact O-CD1 3.47Å; S458-E486 PolarHBondContact OG-N 3.06Å; S458-N487 WeakPolarHBondContact CB-ND2 3.28Å; S458-N487 PolarHBondContact OG-N 2.96Å
459	K	89.7	Confident	71	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.339	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-54.4	134.8	174.6	165.5	170.2	170.8	-161.1	0	112	T393 F485 E486	T393-K459 HydrophobicContact CG2-CD 4.26Å; T393-K459 HydrophobicContact CG2-CG 4.11Å; K459-F485 CarbonylContact O-C 3.57Å; K459-F485 WeakPolarHBondContact O-CA 3.38Å; K459-E486 HydrophobicContact CB-CB 4.11Å; K459-E486 IonicContact NZ-OE1 2.67Å; K459-E486 WeakPolarHBondContact O-CB 3.45Å; K459-E486 PolarHBondContact O-N 3.31Å
460	V	90.2	Very high	70.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.9	169.9	-163.4	0	0	0	0	109.1	T393 M410 V415 S458 I463 L484 F485	T393-V460 VanDerWaalsContact CB-O 3.29Å; T393-V460 WeakPolarHBondContact CB-O 3.49Å; T393-V460 PolarHBondContact OG1-O 3.17Å; M410-V460 PolarHBondContact O-N 2.93Å; M410-V460 VanDerWaalsContact O-N 3.08Å; V415-V460 HydrophobicContact CG2-CG2 4.13Å; S458-V460 PolarHBondContact O-N 2.92Å; V460-I463 HydrophobicContact CG1-CD1 4.41Å; V460-I463 HydrophobicContact CG1-CG1 4.07Å; V460-L484 WeakPolarHBondContact CG1-O 3.49Å; V460-F485 HydrophobicContact CG2-CD1 4.28Å; V460-F485 HydrophobicContact CG2-CE1 3.79Å; V460-F485 HydrophobicContact CG2-CZ 4.28Å
461	V	88.4	Confident	70.3	Confident	67 Å²	67	66.6 Å²	66.6	41%	0.406	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-39.2	-177.2	177	0	0	0	0	112.2	C394 L484 E486	C394-V461 WeakPolarHBondContact CB-O 3.47Å; V461-L484 HydrophobicContact CB-CG 4.46Å; V461-L484 PolarHBondContact N-O 3.28Å; V461-E486 HydrophobicContact CG2-CB 3.74Å; V461-E486 HydrophobicContact CG2-CG 4.32Å
462	D	88.2	Confident	69.9	Low	90 Å²	90	70.5 Å²	70.5	48%	0.481	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.9	179.4	-162.8	11.7	0	0	0	111.8	L484	D462-L484 HydrophobicContact CB-CB 4.35Å; D462-L484 HydrophobicContact CB-CD2 4.4Å; D462-L484 PolarHBondContact N-O 3.45Å; D462-L484 PolarHBondContact O-N 3.36Å
463	I	88.9	Confident	69.5	Low	9 Å²	9	70 Å²	70	5%	0.046	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.9	172.6	-58.2	-180	0	0	0	110.1	L396 V415 V460 L481 A482	L396-I463 HydrophobicContact CD2-CB 4.14Å; L396-I463 HydrophobicContact CD2-CG2 3.54Å; V415-I463 HydrophobicContact CG1-CD1 3.76Å; V460-I463 HydrophobicContact CG1-CD1 4.41Å; V460-I463 HydrophobicContact CG1-CG1 4.07Å; I463-L481 HydrophobicContact CG2-CD1 3.85Å; I463-L481 HydrophobicContact CG2-CD2 3.56Å; I463-L481 HydrophobicContact CG2-CG 3.61Å; I463-A482 CarbonylContact C-O 3.5Å; I463-A482 VanDerWaalsContact CA-O 3.26Å; I463-A482 WeakPolarHBondContact CA-O 3.31Å; I463-A482 WeakPolarHBondContact CG2-O 3.42Å
464	L	85.8	Confident	69.1	Low	107 Å²	107	69.2 Å²	69.2	56%	0.56	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	-176.7	-175.3	62.4	0	0	0	111.5	L466 L481 A482	L464-L466 HydrophobicContact CD2-CD2 4.35Å; L464-L481 CarbonylContact O-C 3.52Å; L464-L481 WeakPolarHBondContact O-CA 3.36Å; L464-A482 PolarHBondContact N-O 2.83Å; L464-A482 PolarHBondContact O-N 3.48Å
465	I	82.6	Confident	68.5	Low	35 Å²	35	68.3 Å²	68.3	18%	0.179	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.8	165.1	-57.3	-53	0	0	0	108.1	L396 Y398 I405 V468 L479 L481	L396-I465 HydrophobicContact CD1-CD1 4.06Å; L396-I465 HydrophobicContact CD1-CG1 4.37Å; L396-I465 HydrophobicContact CD2-CD1 3.89Å; L396-I465 HydrophobicContact CD2-CG1 4.15Å; Y398-I465 HydrophobicContact CD2-CG1 4.05Å; Y398-I465 HydrophobicContact CG-CG1 4.12Å; I405-I465 HydrophobicContact CD1-CD1 4.46Å; I465-V468 HydrophobicContact CG2-CG2 3.72Å; I465-L479 HydrophobicContact CD1-CD1 4.3Å; I465-L479 HydrophobicContact CG2-CD1 3.62Å; I465-L481 HydrophobicContact CD1-CB 4.19Å; I465-L481 HydrophobicContact CD1-CD1 3.96Å; I465-L481 HydrophobicContact CD1-CG 4.27Å
466	L	73.4	Confident	68.5	Low	77 Å²	77	66.2 Å²	66.2	40%	0.403	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-46.6	-177.6	-66.9	-170.3	0	0	0	113.1	L464 Q480 A482 I492	L464-L466 HydrophobicContact CD2-CD2 4.35Å; L466-Q480 HydrophobicContact CB-CB 4.25Å; L466-Q480 PolarHBondContact N-O 2.86Å; L466-A482 HydrophobicContact CD1-CB 3.91Å; L466-A482 HydrophobicContact CD2-CB 3.86Å; L466-A482 HydrophobicContact CG-CB 3.8Å; L466-I492 HydrophobicContact CD1-CD1 4Å; L466-I492 HydrophobicContact CD1-CG1 4.08Å; L466-I492 HydrophobicContact CD1-CG2 3.99Å
467	N	67.9	Low	68.6	Low	51 Å²	51	67 Å²	67	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	143.8	-171.6	-170.4	6.4	0	0	0	110.2	Q480	N467-Q480 HydrophobicContact CB-CB 4.41Å; N467-Q480 PolarHBondContact O-N 3.21Å
468	V	66.8	Low	68.5	Low	27 Å²	27	65.7 Å²	65.7	16%	0.164	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	93.6	174.2	-168.2	0	0	0	0	108.4	Y398 I465 K470 A478 L479	Y398-V468 HydrophobicContact CE1-CG1 4.44Å; Y398-V468 HydrophobicContact CE1-CG2 3.95Å; Y398-V468 HydrophobicContact CE2-CG2 4.45Å; Y398-V468 VanDerWaalsContact OH-CG2 3.28Å; Y398-V468 WeakPolarHBondContact OH-CG2 3.37Å; I465-V468 HydrophobicContact CG2-CG2 3.72Å; V468-K470 PolarHBondContact O-N 2.83Å; V468-A478 CarbonylContact C-O 3.58Å; V468-A478 WeakPolarHBondContact CA-O 3.3Å; V468-L479 HydrophobicContact CB-CD1 4.48Å; V468-L479 HydrophobicContact CG1-CD1 4.5Å; V468-L479 HydrophobicContact CG2-CD1 3.5Å
469	Q	61.1	Low	68.2	Low	53 Å²	53	64.8 Å²	64.8	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.7	176.6	-72.1	174.3	-70	0	0	109.2	D477 A478	Q469-D477 CarbonylContact O-C 3.5Å; Q469-D477 VanDerWaalsContact O-CA 3.3Å; Q469-D477 WeakPolarHBondContact O-CA 3.21Å; Q469-A478 HydrophobicContact CB-CB 4.33Å; Q469-A478 PolarHBondContact N-O 3.48Å; Q469-A478 PolarHBondContact O-N 2.87Å
470	K	56.4	Low	67.8	Low	140 Å²	140	62.3 Å²	62.3	61%	0.609	36%	0.355	S	S	*	.			trans	-90.4	110.2	174.3	-49.1	-176.2	-164.5	-163.9	0	107.5	C401 V468 D477	C401-K470 WeakPolarHBondContact SG-CE 3.14Å; C401-K470 PolarHBondContact SG-NZ 2.92Å; C401-K470 VanDerWaalsContact SG-NZ 3.36Å; V468-K470 PolarHBondContact O-N 2.83Å; K470-D477 WeakPolarHBondContact CA-OD1 3.5Å
471	N	53.2	Low	67.4	Low	59 Å²	59	62.3 Å²	62.3	32%	0.316	36%	0.355	S	S	.	.			trans	-76.8	124.6	179.3	-95.7	-40	0	0	0	109.7	T473 G474 S476	N471-T473 PolarHBondContact O-N 3.36Å; N471-G474 PolarHBondContact O-N 3.28Å; N471-S476 PolarHBondContact ND2-O 3.41Å
472	P	40.4	Very low	67.2	Low	130 Å²	130	59.7 Å²	59.7	84%	0.844	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.1	-175.2	27.8	-34.9	0	0	0	112.8	G474	P472-G474 VanDerWaalsContact C-N 3.27Å
473	T	45.6	Very low	67.1	Low	99 Å²	99	55.4 Å²	55.4	61%	0.607	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.1	171.1	59.4	0	0	0	0	113.3	N471 E475	N471-T473 PolarHBondContact O-N 3.36Å; T473-E475 VanDerWaalsContact C-N 3.26Å; T473-E475 PolarHBondContact O-N 3.46Å; T473-E475 PolarHBondContact OG1-OE2 2.93Å
474	G	47.3	Very low	66.9	Low	60 Å²	60	57.4 Å²	57.4	62%	0.619	33%	0.328	S	S	*	.			trans	77.2	-2.3	178.6	0	0	0	0	0	116	N471 P472	N471-G474 PolarHBondContact O-N 3.28Å; P472-G474 VanDerWaalsContact C-N 3.27Å
475	E	44.4	Very low	66.9	Low	167 Å²	167	52.4 Å²	52.4	78%	0.78	30%	0.302	S	S	*	.	S	Bend	trans	-72.6	-35.4	-167.6	-64.6	-179.9	113.1	0	0	113.8	T473	T473-E475 VanDerWaalsContact C-N 3.26Å; T473-E475 PolarHBondContact O-N 3.46Å; T473-E475 PolarHBondContact OG1-OE2 2.93Å
476	S	54.5	Low	66.9	Low	52 Å²	52	56.6 Å²	56.6	36%	0.364	32%	0.32	S	S	.	.			trans	-163.4	124	164.4	-160.3	0	0	0	0	112.4	N471 A478	N471-S476 PolarHBondContact ND2-O 3.41Å; S476-A478 PolarHBondContact O-N 3.11Å
477	D	63.3	Low	67.1	Low	18 Å²	18	56.1 Å²	56.1	10%	0.096	32%	0.318	C	S	.	.			trans	-67.8	125.1	165.2	-71.7	-20	0	0	0	109.6	C401 A402 W403 Q469 K470	C401-D477 WeakPolarHBondContact CB-OD2 3.26Å; A402-D477 HydrophobicContact CB-CB 4.42Å; A402-D477 WeakPolarHBondContact CB-OD2 3.23Å; A402-D477 PolarHBondContact N-OD2 3.18Å; W403-D477 VanDerWaalsContact CZ2-O 3.23Å; W403-D477 WeakPolarHBondContact CZ2-O 3.26Å; W403-D477 PolarHBondContact NE1-O 2.63Å; Q469-D477 CarbonylContact O-C 3.5Å; Q469-D477 VanDerWaalsContact O-CA 3.3Å; Q469-D477 WeakPolarHBondContact O-CA 3.21Å; K470-D477 WeakPolarHBondContact CA-OD1 3.5Å
478	A	67.2	Low	67.1	Low	40 Å²	40	53.8 Å²	53.8	33%	0.331	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.8	173.6	0	0	0	0	0	111.1	V468 Q469 S476	V468-A478 CarbonylContact C-O 3.58Å; V468-A478 WeakPolarHBondContact CA-O 3.3Å; Q469-A478 HydrophobicContact CB-CB 4.33Å; Q469-A478 PolarHBondContact N-O 3.48Å; Q469-A478 PolarHBondContact O-N 2.87Å; S476-A478 PolarHBondContact O-N 3.11Å
479	L	77.7	Confident	67.2	Low	2 Å²	2	54.3 Å²	54.3	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.9	-174.5	173.5	63.2	0	0	0	110.5	Y398 W403 I405 I465 V468 V495	Y398-L479 HydrophobicContact CD1-CD1 4.48Å; Y398-L479 HydrophobicContact CE1-CD1 4.32Å; W403-L479 HydrophobicContact CB-CD2 4.41Å; W403-L479 HydrophobicContact CD2-CB 4.16Å; W403-L479 HydrophobicContact CD2-CD2 3.6Å; W403-L479 HydrophobicContact CE3-CD2 3.83Å; W403-L479 HydrophobicContact CG-CD2 3.89Å; W403-L479 HydrophobicContact CH2-CB 4.42Å; W403-L479 HydrophobicContact CZ2-CB 3.7Å; W403-L479 HydrophobicContact CZ2-CD2 4.35Å; W403-L479 HydrophobicContact CZ3-CD2 4.28Å; I405-L479 HydrophobicContact CD1-CD2 3.7Å; I405-L479 HydrophobicContact CG1-CD2 4.49Å; I465-L479 HydrophobicContact CD1-CD1 4.3Å; I465-L479 HydrophobicContact CG2-CD1 3.62Å; V468-L479 HydrophobicContact CB-CD1 4.48Å; V468-L479 HydrophobicContact CG1-CD1 4.5Å; V468-L479 HydrophobicContact CG2-CD1 3.5Å; L479-V495 HydrophobicContact CB-CB 4.07Å; L479-V495 HydrophobicContact CD2-CB 4Å; L479-V495 HydrophobicContact CD2-CG1 3.98Å; L479-V495 HydrophobicContact CD2-CG2 4.43Å; L479-V495 HydrophobicContact CG-CB 3.93Å; L479-V495 HydrophobicContact CG-CG1 4.47Å; L479-V495 HydrophobicContact CG-CG2 4.26Å; L479-V495 PolarHBondContact O-N 3.15Å
480	Q	80.8	Confident	68	Low	26 Å²	26	54.4 Å²	54.4	12%	0.121	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.7	175.3	-70.9	-173.8	-27.4	0	0	111.7	L466 N467 W493	L466-Q480 HydrophobicContact CB-CB 4.25Å; L466-Q480 PolarHBondContact N-O 2.86Å; N467-Q480 HydrophobicContact CB-CB 4.41Å; N467-Q480 PolarHBondContact O-N 3.21Å; Q480-W493 WeakPolarHBondContact CA-O 3.28Å
481	L	82.4	Confident	69	Low	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.9	-176.3	174.8	155.8	0	0	0	108.7	L396 A407 I463 L464 I465 W493 V495 M519	L396-L481 HydrophobicContact CD2-CD1 4.34Å; A407-L481 HydrophobicContact CB-CD1 3.73Å; I463-L481 HydrophobicContact CG2-CD1 3.85Å; I463-L481 HydrophobicContact CG2-CD2 3.56Å; I463-L481 HydrophobicContact CG2-CG 3.61Å; L464-L481 CarbonylContact O-C 3.52Å; L464-L481 WeakPolarHBondContact O-CA 3.36Å; I465-L481 HydrophobicContact CD1-CB 4.19Å; I465-L481 HydrophobicContact CD1-CD1 3.96Å; I465-L481 HydrophobicContact CD1-CG 4.27Å; L481-W493 HydrophobicContact CD2-CB 4.31Å; L481-W493 HydrophobicContact CD2-CG 4.19Å; L481-W493 PolarHBondContact N-O 2.78Å; L481-W493 WeakPolarHBondContact O-CB 3.17Å; L481-W493 PolarHBondContact O-N 2.63Å; L481-V495 HydrophobicContact CB-CG2 3.87Å; L481-M519 HydrophobicContact CD2-SD 4.45Å
482	A	82.9	Confident	70.2	Confident	11 Å²	11	45.4 Å²	45.4	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.2	174.6	0	0	0	0	0	110.8	I463 L464 L466 I490 I491	I463-A482 CarbonylContact C-O 3.5Å; I463-A482 VanDerWaalsContact CA-O 3.26Å; I463-A482 WeakPolarHBondContact CA-O 3.31Å; I463-A482 WeakPolarHBondContact CG2-O 3.42Å; L464-A482 PolarHBondContact N-O 2.83Å; L464-A482 PolarHBondContact O-N 3.48Å; L466-A482 HydrophobicContact CD1-CB 3.91Å; L466-A482 HydrophobicContact CD2-CB 3.86Å; L466-A482 HydrophobicContact CG-CB 3.8Å; A482-I490 HydrophobicContact CB-CG2 4.29Å; A482-I491 WeakPolarHBondContact CA-O 3.48Å
483	S	86.8	Confident	72.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.9	171.5	56.5	0	0	0	0	110	F485 I491 W493	S483-F485 VanDerWaalsContact OG-CE2 3.3Å; S483-F485 WeakPolarHBondContact OG-CE2 3.35Å; S483-I491 PolarHBondContact N-O 3.03Å; S483-I491 PolarHBondContact O-N 3.18Å; S483-W493 PolarHBondContact OG-NE1 2.74Å
484	L	84.7	Confident	73.8	Confident	51 Å²	51	35.7 Å²	35.7	27%	0.267	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.4	174.8	171.2	66.3	0	0	0	109.8	V460 V461 D462 I490	V460-L484 WeakPolarHBondContact CG1-O 3.49Å; V461-L484 HydrophobicContact CB-CG 4.46Å; V461-L484 PolarHBondContact N-O 3.28Å; D462-L484 HydrophobicContact CB-CB 4.35Å; D462-L484 HydrophobicContact CB-CD2 4.4Å; D462-L484 PolarHBondContact N-O 3.45Å; D462-L484 PolarHBondContact O-N 3.36Å; L484-I490 HydrophobicContact CD1-CD1 4.3Å; L484-I490 HydrophobicContact CD1-CG1 3.74Å
485	F	85.6	Confident	75.4	Confident	3 Å²	3	33 Å²	33	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	158.8	-179.2	-69.2	-93.7	0	0	0	112.2	G413 V415 M456 S458 K459 V460 S483 N487 G488 Q489 I491	G413-F485 WeakPolarHBondContact O-CE1 3.36Å; V415-F485 HydrophobicContact CG2-CZ 4.12Å; M456-F485 HydrophobicContact CE-CE1 3.82Å; M456-F485 HydrophobicContact CE-CE2 4.12Å; M456-F485 HydrophobicContact CE-CZ 3.32Å; S458-F485 VanDerWaalsContact O-CD1 3.25Å; S458-F485 WeakPolarHBondContact O-CD1 3.47Å; K459-F485 CarbonylContact O-C 3.57Å; K459-F485 WeakPolarHBondContact O-CA 3.38Å; V460-F485 HydrophobicContact CG2-CD1 4.28Å; V460-F485 HydrophobicContact CG2-CE1 3.79Å; V460-F485 HydrophobicContact CG2-CZ 4.28Å; S483-F485 VanDerWaalsContact OG-CE2 3.3Å; S483-F485 WeakPolarHBondContact OG-CE2 3.35Å; F485-N487 VanDerWaalsContact C-N 3.31Å; F485-N487 WeakPolarHBondContact CB-OD1 3.46Å; F485-N487 PolarHBondContact O-N 3.21Å; F485-G488 VanDerWaalsContact O-CA 3.31Å; F485-G488 WeakPolarHBondContact O-CA 3.45Å; F485-G488 PolarHBondContact O-N 2.72Å; F485-Q489 HydrophobicContact CB-CB 4.22Å; F485-Q489 HydrophobicContact CD2-CB 4.33Å; F485-Q489 WeakPolarHBondContact CD2-O 3.41Å; F485-Q489 PolarHBondContact N-O 2.76Å; F485-I491 HydrophobicContact CD2-CD1 4.26Å; F485-I491 HydrophobicContact CD2-CG1 4.25Å; F485-I491 HydrophobicContact CE2-CB 4.18Å; F485-I491 HydrophobicContact CE2-CD1 3.56Å; F485-I491 HydrophobicContact CE2-CG1 3.77Å; F485-I491 HydrophobicContact CZ-CD1 4.06Å
486	E	82.6	Confident	76.9	Confident	122 Å²	122	27.9 Å²	27.9	57%	0.57	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-28	-178	-168.6	168.1	-119.2	0	0	112.4	S458 K459 V461 G488	S458-E486 PolarHBondContact OG-N 3.06Å; K459-E486 HydrophobicContact CB-CB 4.11Å; K459-E486 IonicContact NZ-OE1 2.67Å; K459-E486 WeakPolarHBondContact O-CB 3.45Å; K459-E486 PolarHBondContact O-N 3.31Å; V461-E486 HydrophobicContact CG2-CB 3.74Å; V461-E486 HydrophobicContact CG2-CG 4.32Å; E486-G488 PolarHBondContact O-N 3.41Å
487	N	77.5	Confident	77.8	Confident	68 Å²	68	29.2 Å²	29.2	36%	0.364	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-0.1	165.8	68.5	7.3	0	0	0	113.6	D455 S458 F485 Q489	D455-N487 PolarHBondContact O-ND2 3.08Å; S458-N487 WeakPolarHBondContact CB-ND2 3.28Å; S458-N487 PolarHBondContact OG-N 2.96Å; F485-N487 VanDerWaalsContact C-N 3.31Å; F485-N487 WeakPolarHBondContact CB-OD1 3.46Å; F485-N487 PolarHBondContact O-N 3.21Å; N487-Q489 VanDerWaalsContact C-N 3.35Å; N487-Q489 PolarHBondContact ND2-OE1 2.92Å; N487-Q489 PolarHBondContact O-N 3.2Å; N487-Q489 VanDerWaalsContact OD1-CB 3.26Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.46Å; N487-Q489 WeakPolarHBondContact OD1-CG 3.36Å; N487-Q489 PolarHBondContact OD1-N 2.94Å
488	G	68.1	Low	77.9	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	82.3	0.8	179.4	0	0	0	0	0	115.9	F485 E486 L527 V528	F485-G488 VanDerWaalsContact O-CA 3.31Å; F485-G488 WeakPolarHBondContact O-CA 3.45Å; F485-G488 PolarHBondContact O-N 2.72Å; E486-G488 PolarHBondContact O-N 3.41Å; G488-L527 CarbonylContact O-C 3.57Å; G488-L527 VanDerWaalsContact O-CA 3.3Å; G488-L527 WeakPolarHBondContact O-CA 3.36Å; G488-V528 PolarHBondContact O-N 3.19Å
489	Q	70	Confident	77.5	Confident	37 Å²	37	34.7 Å²	34.7	17%	0.173	18%	0.181	C	C	.	.			trans	-64.2	140	175.5	-69.8	170.6	-9.5	0	0	110.7	D455 F485 N487 F526 L527	D455-Q489 PolarHBondContact O-OE1 2.92Å; D455-Q489 PolarHBondContact OD1-NE2 2.89Å; D455-Q489 VanDerWaalsContact OD1-NE2 3.08Å; F485-Q489 HydrophobicContact CB-CB 4.22Å; F485-Q489 HydrophobicContact CD2-CB 4.33Å; F485-Q489 WeakPolarHBondContact CD2-O 3.41Å; F485-Q489 PolarHBondContact N-O 2.76Å; N487-Q489 VanDerWaalsContact C-N 3.35Å; N487-Q489 PolarHBondContact ND2-OE1 2.92Å; N487-Q489 PolarHBondContact O-N 3.2Å; N487-Q489 VanDerWaalsContact OD1-CB 3.26Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.46Å; N487-Q489 WeakPolarHBondContact OD1-CG 3.36Å; N487-Q489 PolarHBondContact OD1-N 2.94Å; Q489-F526 CarbonylContact C-O 3.58Å; Q489-F526 VanDerWaalsContact CA-O 3.31Å; Q489-F526 WeakPolarHBondContact CA-O 3.5Å; Q489-L527 HydrophobicContact CG-CD2 3.56Å
490	I	77.5	Confident	76.3	Confident	56 Å²	56	38.2 Å²	38.2	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.1	168.2	-52.2	179.4	0	0	0	108.8	A482 L484 F526	A482-I490 HydrophobicContact CB-CG2 4.29Å; L484-I490 HydrophobicContact CD1-CD1 4.3Å; L484-I490 HydrophobicContact CD1-CG1 3.74Å; I490-F526 HydrophobicContact CB-CB 4.09Å; I490-F526 HydrophobicContact CB-CD2 4.32Å; I490-F526 HydrophobicContact CD1-CB 4.05Å; I490-F526 HydrophobicContact CG1-CB 4.16Å; I490-F526 PolarHBondContact N-O 2.93Å
491	I	77.7	Confident	74.3	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	177.9	-55	-177.4	0	0	0	108.6	M456 A482 S483 F485 W493 K521 M523 D524	M456-I491 HydrophobicContact CE-CD1 3.51Å; M456-I491 HydrophobicContact SD-CD1 3.94Å; A482-I491 WeakPolarHBondContact CA-O 3.48Å; S483-I491 PolarHBondContact N-O 3.03Å; S483-I491 PolarHBondContact O-N 3.18Å; F485-I491 HydrophobicContact CD2-CD1 4.26Å; F485-I491 HydrophobicContact CD2-CG1 4.25Å; F485-I491 HydrophobicContact CE2-CB 4.18Å; F485-I491 HydrophobicContact CE2-CD1 3.56Å; F485-I491 HydrophobicContact CE2-CG1 3.77Å; F485-I491 HydrophobicContact CZ-CD1 4.06Å; I491-W493 HydrophobicContact CB-CZ2 4.27Å; I491-W493 HydrophobicContact CG2-CD2 4.22Å; I491-W493 HydrophobicContact CG2-CH2 4.24Å; I491-W493 HydrophobicContact CG2-CZ2 3.62Å; I491-K521 HydrophobicContact CG2-CG 3.84Å; I491-M523 WeakPolarHBondContact CA-O 3.4Å; I491-D524 WeakPolarHBondContact CD1-OD1 3.39Å; I491-D524 WeakPolarHBondContact CG1-OD1 3.11Å
492	I	78.4	Confident	72.4	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.6	176.8	-56.1	176.6	0	0	0	109.2	L466 T522 M523 L674	L466-I492 HydrophobicContact CD1-CD1 4Å; L466-I492 HydrophobicContact CD1-CG1 4.08Å; L466-I492 HydrophobicContact CD1-CG2 3.99Å; I492-T522 WeakPolarHBondContact O-CA 3.2Å; I492-T522 WeakPolarHBondContact O-CB 3.36Å; I492-T522 PolarHBondContact O-N 2.94Å; I492-M523 HydrophobicContact CB-CB 4.25Å; I492-M523 PolarHBondContact N-O 3.44Å; I492-M523 VanDerWaalsContact N-O 3.13Å; I492-M523 PolarHBondContact O-N 2.9Å; I492-L674 HydrophobicContact CD1-CD2 4.15Å
493	W	81.8	Confident	70.4	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.4	-178.1	-52.9	90.9	0	0	0	110.1	V415 T446 M456 Q480 L481 S483 I491 M519 S520 K521	V415-W493 HydrophobicContact CG2-CZ2 4.38Å; T446-W493 HydrophobicContact CG2-CH2 3.56Å; T446-W493 HydrophobicContact CG2-CZ2 4.08Å; T446-W493 HydrophobicContact CG2-CZ3 3.96Å; M456-W493 HydrophobicContact CE-CZ2 4.27Å; M456-W493 HydrophobicContact SD-CH2 4.41Å; Q480-W493 WeakPolarHBondContact CA-O 3.28Å; L481-W493 HydrophobicContact CD2-CB 4.31Å; L481-W493 HydrophobicContact CD2-CG 4.19Å; L481-W493 PolarHBondContact N-O 2.78Å; L481-W493 WeakPolarHBondContact O-CB 3.17Å; L481-W493 PolarHBondContact O-N 2.63Å; S483-W493 PolarHBondContact OG-NE1 2.74Å; I491-W493 HydrophobicContact CB-CZ2 4.27Å; I491-W493 HydrophobicContact CG2-CD2 4.22Å; I491-W493 HydrophobicContact CG2-CH2 4.24Å; I491-W493 HydrophobicContact CG2-CZ2 3.62Å; W493-M519 HydrophobicContact CB-CB 4.22Å; W493-M519 HydrophobicContact CD2-CB 4.35Å; W493-M519 HydrophobicContact CE3-CB 3.88Å; W493-M519 HydrophobicContact CG-SD 4.48Å; W493-S520 WeakPolarHBondContact CA-O 3.16Å; W493-K521 HydrophobicContact CE3-CB 4.06Å; W493-K521 HydrophobicContact CE3-CG 4.39Å; W493-K521 HydrophobicContact CH2-CB 4.38Å; W493-K521 HydrophobicContact CH2-CG 4.15Å; W493-K521 HydrophobicContact CZ3-CB 3.69Å; W493-K521 HydrophobicContact CZ3-CG 3.93Å
494	S	78.8	Confident	68.3	Low	24 Å²	24	59 Å²	59	17%	0.168	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.5	166.2	-62.5	0	0	0	0	108.2	S520 T522	S494-S520 PolarHBondContact N-O 3.48Å; S494-S520 PolarHBondContact O-N 3.32Å; S494-T522 WeakPolarHBondContact CB-OG1 2.94Å; S494-T522 PolarHBondContact N-OG1 2.95Å; S494-T522 VanDerWaalsContact N-OG1 3.11Å; S494-T522 PolarHBondContact OG-OG1 2.87Å
495	V	80.7	Confident	66.3	Low	2 Å²	2	62.6 Å²	62.6	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.4	-179.4	-173.2	0	0	0	0	107.9	W403 L417 L479 L481 V517 K518 M519	W403-V495 HydrophobicContact CH2-CG1 3.97Å; W403-V495 WeakPolarHBondContact CH2-O 3.34Å; W403-V495 WeakPolarHBondContact CZ2-O 3.47Å; W403-V495 HydrophobicContact CZ3-CG1 3.95Å; L417-V495 HydrophobicContact CD2-CG1 3.87Å; L479-V495 HydrophobicContact CB-CB 4.07Å; L479-V495 HydrophobicContact CD2-CB 4Å; L479-V495 HydrophobicContact CD2-CG1 3.98Å; L479-V495 HydrophobicContact CD2-CG2 4.43Å; L479-V495 HydrophobicContact CG-CB 3.93Å; L479-V495 HydrophobicContact CG-CG1 4.47Å; L479-V495 HydrophobicContact CG-CG2 4.26Å; L479-V495 PolarHBondContact O-N 3.15Å; L481-V495 HydrophobicContact CB-CG2 3.87Å; V495-V517 HydrophobicContact CG1-CG1 3.38Å; V495-K518 WeakPolarHBondContact CA-O 3.5Å; V495-M519 HydrophobicContact CG2-CG 4.34Å
496	V	76.1	Confident	64.3	Low	60 Å²	60	67 Å²	67	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.3	-173.3	-60.7	0	0	0	0	111.4	A498 V517 K518	V496-A498 PolarHBondContact O-N 2.92Å; V496-V517 WeakPolarHBondContact O-CA 3.43Å; V496-K518 HydrophobicContact CG2-CD 4.35Å; V496-K518 HydrophobicContact CG2-CG 3.61Å; V496-K518 PolarHBondContact N-O 2.87Å; V496-K518 PolarHBondContact O-N 3.02Å
497	K	73.7	Confident	62.6	Low	80 Å²	80	70.9 Å²	70.9	35%	0.348	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	112.2	174.8	-66.2	-178.3	-179.2	169.3	0	109.6	A402 W403 I499 R516	A402-K497 WeakPolarHBondContact O-CE 3.46Å; A402-K497 PolarHBondContact O-NZ 2.97Å; W403-K497 HydrophobicContact CH2-CD 4.35Å; W403-K497 HydrophobicContact CH2-CG 3.49Å; W403-K497 VanDerWaalsContact CH2-CG 3.49Å; W403-K497 HydrophobicContact CZ2-CG 4.01Å; W403-K497 HydrophobicContact CZ3-CG 3.84Å; K497-I499 PolarHBondContact O-N 2.99Å; K497-R516 CarbonylContact C-O 3.55Å; K497-R516 VanDerWaalsContact CA-O 3.23Å; K497-R516 WeakPolarHBondContact CA-O 3.21Å
498	A	65.4	Low	61.2	Low	16 Å²	16	71.4 Å²	71.4	13%	0.132	39%	0.393	C	S	.	.			trans	-75.7	117.4	170.7	0	0	0	0	0	108.8	V496 P500 L511 R516	V496-A498 PolarHBondContact O-N 2.92Å; A498-P500 WeakPolarHBondContact O-CD 2.56Å; A498-L511 HydrophobicContact CB-CD2 3.73Å; A498-R516 PolarHBondContact N-O 2.89Å
499	I	58.8	Low	60.3	Low	157 Å²	157	74.6 Å²	74.6	81%	0.805	43%	0.426	S	S	*	.			trans	-65.1	122.1	163.9	-60.3	175.3	0	0	0	106.5	K497 A501	K497-I499 PolarHBondContact O-N 2.99Å; I499-A501 PolarHBondContact O-N 2.83Å
500	P	52.3	Low	59.9	Low	76 Å²	76	73.8 Å²	73.8	49%	0.494	42%	0.422	S	S	.	.			trans	-75	79.8	179.6	31.1	-34.6	0	0	0	110	A498	A498-P500 WeakPolarHBondContact O-CD 2.56Å
501	A	39.5	Very low	59.1	Low	54 Å²	54	73.2 Å²	73.2	45%	0.446	42%	0.42	S	S	.	.			trans	-55.4	139.9	164.5	0	0	0	0	0	109	I499 R503 L505	I499-A501 PolarHBondContact O-N 2.83Å; A501-R503 PolarHBondContact O-N 3.42Å; A501-R503 VanDerWaalsContact O-O 3.13Å; A501-L505 HydrophobicContact CB-CD2 4.4Å
502	G	41	Very low	58.8	Low	90 Å²	90	75.4 Å²	75.4	93%	0.928	43%	0.43	S	S	*	.	S	Bend	trans	-70.3	27.9	-174.6	0	0	0	0	0	115.9
503	R	41.1	Very low	57.9	Low	196 Å²	196	79.1 Å²	79.1	74%	0.74	45%	0.454	S	S	*	.	S	Bend	trans	-138.4	148.1	176.9	-61.5	-175.5	-178.1	-164.1	0.8	108	A501 L505	A501-R503 PolarHBondContact O-N 3.42Å; A501-R503 VanDerWaalsContact O-O 3.13Å; R503-L505 VanDerWaalsContact C-N 3.3Å; R503-L505 HydrophobicContact CB-CD1 4.19Å; R503-L505 PolarHBondContact O-N 2.85Å
504	P	43.2	Very low	57.1	Low	134 Å²	134	84 Å²	84	87%	0.87	48%	0.48	S	S	*	.			trans	-67.2	90.5	171.3	28.7	-33.6	0	0	0	109.2	E506	P504-E506 VanDerWaalsContact C-N 3.33Å; P504-E506 PolarHBondContact O-N 2.93Å
505	L	41.9	Very low	56.6	Low	127 Å²	127	83 Å²	83	67%	0.665	47%	0.474	S	S	*	.			trans	-94.5	30.8	-163.4	-149	87.3	0	0	0	114.2	A501 R503	A501-L505 HydrophobicContact CB-CD2 4.4Å; R503-L505 VanDerWaalsContact C-N 3.3Å; R503-L505 HydrophobicContact CB-CD1 4.19Å; R503-L505 PolarHBondContact O-N 2.85Å
506	E	45	Very low	56.2	Low	94 Å²	94	86.8 Å²	86.8	44%	0.439	49%	0.488	S	S	.	.			trans	-152.3	140.3	169.7	-122	136.9	-147	0	0	108.2	P504 D508 K518	P504-E506 VanDerWaalsContact C-N 3.33Å; P504-E506 PolarHBondContact O-N 2.93Å; E506-D508 PolarHBondContact O-N 3.01Å; E506-K518 IonicContact OE1-NZ 3.5Å; E506-K518 PolarHBondContact OE1-NZ 3.49Å; E506-K518 WeakPolarHBondContact OE2-CD 3.26Å; E506-K518 IonicContact OE2-NZ 3.62Å; E506-K518 PolarHBondContact OE2-NZ 3.47Å
507	K	45.4	Very low	56.3	Low	205 Å²	205	84.1 Å²	84.1	89%	0.891	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.6	-172.6	-81	-178.7	175.4	175.3	0	113.4
508	D	48.4	Very low	56.6	Low	79 Å²	79	82.5 Å²	82.5	42%	0.422	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.2	-152.9	-43.2	-56.3	0	0	0	112.7	E506 L510	E506-D508 PolarHBondContact O-N 3.01Å; D508-L510 HydrophobicContact CB-CD1 4.22Å; D508-L510 HydrophobicContact CB-CG 4.18Å; D508-L510 PolarHBondContact O-N 3.35Å
509	G	50.5	Low	57.4	Low	68 Å²	68	81.8 Å²	81.8	70%	0.701	46%	0.459	S	S	*	.			trans	71.4	-5.7	171.9	0	0	0	0	0	116.4	L511	G509-L511 PolarHBondContact O-N 3.05Å
510	L	60.6	Low	58	Low	20 Å²	20	77.4 Å²	77.4	11%	0.105	44%	0.442	C	S	.	.			trans	-64.9	-37	-175.4	-54.8	174.3	0	0	0	113.8	Y444 F448 F449 D508	Y444-L510 WeakPolarHBondContact CA-O 3.36Å; Y444-L510 HydrophobicContact CD2-CB 3.91Å; Y444-L510 HydrophobicContact CE2-CB 3.43Å; Y444-L510 VanDerWaalsContact CE2-CB 3.43Å; Y444-L510 HydrophobicContact CE2-CD1 4.07Å; Y444-L510 HydrophobicContact CE2-CG 4.39Å; Y444-L510 VanDerWaalsContact OH-CD1 3.29Å; Y444-L510 WeakPolarHBondContact OH-CD1 3.32Å; F448-L510 HydrophobicContact CB-CD2 3.46Å; F448-L510 VanDerWaalsContact CB-CD2 3.46Å; F448-L510 HydrophobicContact CD1-CD2 4.42Å; F448-L510 HydrophobicContact CG-CD2 4.14Å; F449-L510 HydrophobicContact CD2-CD1 4.44Å; F449-L510 HydrophobicContact CE2-CD1 3.42Å; F449-L510 VanDerWaalsContact CE2-CD1 3.42Å; F449-L510 HydrophobicContact CE2-CD2 4.38Å; F449-L510 HydrophobicContact CZ-CD1 3.51Å; D508-L510 HydrophobicContact CB-CD1 4.22Å; D508-L510 HydrophobicContact CB-CG 4.18Å; D508-L510 PolarHBondContact O-N 3.35Å
511	L	60.7	Low	58.9	Low	45 Å²	45	77 Å²	77	24%	0.236	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-86	119.5	176.9	-173.5	62.2	0	0	0	109.2	T443 Y444 A498 G509 V517 K518	T443-L511 HydrophobicContact CG2-CD1 4.25Å; Y444-L511 HydrophobicContact CD2-CB 4.33Å; Y444-L511 HydrophobicContact CD2-CD1 4.44Å; A498-L511 HydrophobicContact CB-CD2 3.73Å; G509-L511 PolarHBondContact O-N 3.05Å; L511-V517 VanDerWaalsContact CD1-O 3.31Å; L511-V517 WeakPolarHBondContact CD1-O 3.03Å; L511-K518 HydrophobicContact CD1-CB 4.28Å
512	K	71.5	Confident	59.8	Low	47 Å²	47	77.2 Å²	77.2	20%	0.204	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-55.4	148	175.5	-146	-169.5	-150.9	162.1	0	111.2	R441 P442 T443 N514 G515	R441-K512 PolarHBondContact O-NZ 3.34Å; P442-K512 VanDerWaalsContact O-CD 3.31Å; P442-K512 WeakPolarHBondContact O-CD 3.48Å; P442-K512 WeakPolarHBondContact O-CE 3.35Å; P442-K512 PolarHBondContact O-NZ 3.1Å; T443-K512 WeakPolarHBondContact O-CB 3.3Å; T443-K512 PolarHBondContact O-N 3.48Å; T443-K512 VanDerWaalsContact O-N 3.07Å; K512-N514 PolarHBondContact O-N 3.32Å; K512-G515 WeakPolarHBondContact O-CA 3.37Å; K512-G515 PolarHBondContact O-N 3.48Å
513	P	59.9	Low	60.4	Low	86 Å²	86	74.1 Å²	74.1	56%	0.558	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.9	170.8	-28	36.2	0	0	0	112	Y44 G515	Y44-P513 HydrophobicContact CD1-CG 4.44Å; Y44-P513 HydrophobicContact CE1-CG 4.18Å; P513-G515 PolarHBondContact O-N 3.18Å
514	N	64.6	Low	60.9	Low	105 Å²	105	68.7 Å²	68.7	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	6.8	-171.2	-48.9	-37.9	0	0	0	116.1	W426 K512 R516	W426-N514 HydrophobicContact CE3-CB 4.48Å; W426-N514 HydrophobicContact CH2-CB 4.11Å; W426-N514 HydrophobicContact CZ3-CB 4.03Å; W426-N514 WeakPolarHBondContact CZ3-O 3.49Å; K512-N514 PolarHBondContact O-N 3.32Å; N514-R516 WeakPolarHBondContact O-CG 3.36Å
515	G	67.6	Low	61.4	Low	3 Å²	3	66.7 Å²	66.7	3%	0.031	35%	0.351	C	S	.	.			trans	-61.5	136.1	172.9	0	0	0	0	0	111.1	K512 P513	K512-G515 WeakPolarHBondContact O-CA 3.37Å; K512-G515 PolarHBondContact O-N 3.48Å; P513-G515 PolarHBondContact O-N 3.18Å
516	R	73.5	Confident	61.8	Low	80 Å²	80	61.9 Å²	61.9	30%	0.302	33%	0.325	S	S	.	.			trans	-110.5	2.1	-171.7	-55.5	-178.9	-57.3	-167.4	2.9	114.2	D419 G421 K497 A498 N514	D419-R516 IonicContact OD1-NH2 3.05Å; D419-R516 IonicContact OD2-CZ 3.37Å; D419-R516 VanDerWaalsContact OD2-CZ 3.26Å; D419-R516 IonicContact OD2-NE 3.59Å; D419-R516 PolarHBondContact OD2-NE 3.3Å; D419-R516 IonicContact OD2-NH2 2.72Å; D419-R516 PolarHBondContact OD2-NH2 2.82Å; G421-R516 PolarHBondContact O-NH2 3.35Å; K497-R516 CarbonylContact C-O 3.55Å; K497-R516 VanDerWaalsContact CA-O 3.23Å; K497-R516 WeakPolarHBondContact CA-O 3.21Å; A498-R516 PolarHBondContact N-O 2.89Å; N514-R516 WeakPolarHBondContact O-CG 3.36Å
517	V	78.3	Confident	61.8	Low	5 Å²	5	60.3 Å²	60.3	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.4	-177.6	-173	0	0	0	0	109.2	W403 L417 D419 V495 V496 L511	W403-V517 HydrophobicContact CH2-CG1 4.26Å; W403-V517 HydrophobicContact CZ3-CB 4.47Å; W403-V517 HydrophobicContact CZ3-CG1 3.67Å; W403-V517 HydrophobicContact CZ3-CG2 3.9Å; L417-V517 HydrophobicContact CD2-CB 4.37Å; L417-V517 HydrophobicContact CD2-CG1 3.56Å; D419-V517 HydrophobicContact CB-CG2 3.93Å; V495-V517 HydrophobicContact CG1-CG1 3.38Å; V496-V517 WeakPolarHBondContact O-CA 3.43Å; L511-V517 VanDerWaalsContact CD1-O 3.31Å; L511-V517 WeakPolarHBondContact CD1-O 3.03Å
518	K	80.1	Confident	61.4	Low	46 Å²	46	56.2 Å²	56.2	20%	0.2	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157	175.6	66.3	-178.7	-179.6	-173	0	111.6	Y444 V495 V496 E506 L511	Y444-K518 HydrophobicContact CD2-CB 3.55Å; Y444-K518 HydrophobicContact CE2-CB 3.73Å; Y444-K518 HydrophobicContact CG-CB 4.27Å; V495-K518 WeakPolarHBondContact CA-O 3.5Å; V496-K518 HydrophobicContact CG2-CD 4.35Å; V496-K518 HydrophobicContact CG2-CG 3.61Å; V496-K518 PolarHBondContact N-O 2.87Å; V496-K518 PolarHBondContact O-N 3.02Å; E506-K518 IonicContact OE1-NZ 3.5Å; E506-K518 PolarHBondContact OE1-NZ 3.49Å; E506-K518 WeakPolarHBondContact OE2-CD 3.26Å; E506-K518 IonicContact OE2-NZ 3.62Å; E506-K518 PolarHBondContact OE2-NZ 3.47Å; L511-K518 HydrophobicContact CD1-CB 4.28Å
519	M	80.8	Confident	61	Low	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114	176.4	-57.9	-168.9	-69.3	0	0	110.4	V415 L417 Y444 T446 L481 W493 V495	V415-M519 HydrophobicContact CB-CE 4.14Å; V415-M519 HydrophobicContact CG1-CE 3.8Å; V415-M519 HydrophobicContact CG1-SD 4.27Å; L417-M519 HydrophobicContact CB-CE 4.16Å; L417-M519 HydrophobicContact CB-CG 4.39Å; L417-M519 HydrophobicContact CB-SD 4.07Å; L417-M519 HydrophobicContact CD2-CG 3.61Å; L417-M519 HydrophobicContact CD2-SD 4.16Å; Y444-M519 HydrophobicContact CD1-CB 3.93Å; Y444-M519 HydrophobicContact CD1-CE 3.72Å; Y444-M519 HydrophobicContact CD1-CG 4Å; Y444-M519 HydrophobicContact CE1-CB 3.68Å; Y444-M519 HydrophobicContact CE1-CE 4.03Å; Y444-M519 HydrophobicContact CE1-CG 4.27Å; Y444-M519 VanDerWaalsContact CZ-O 3.31Å; Y444-M519 PolarHBondContact OH-O 2.84Å; T446-M519 HydrophobicContact CG2-CE 4.1Å; L481-M519 HydrophobicContact CD2-SD 4.45Å; W493-M519 HydrophobicContact CB-CB 4.22Å; W493-M519 HydrophobicContact CD2-CB 4.35Å; W493-M519 HydrophobicContact CE3-CB 3.88Å; W493-M519 HydrophobicContact CG-SD 4.48Å; V495-M519 HydrophobicContact CG2-CG 4.34Å
520	S	71.8	Confident	61.2	Low	64 Å²	64	52.6 Å²	52.6	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.3	171.1	-171.5	0	0	0	0	110.4	W493 S494 T522	W493-S520 WeakPolarHBondContact CA-O 3.16Å; S494-S520 PolarHBondContact N-O 3.48Å; S494-S520 PolarHBondContact O-N 3.32Å; S520-T522 PolarHBondContact O-N 2.69Å; S520-T522 VanDerWaalsContact O-N 3.15Å; S520-T522 PolarHBondContact O-OG1 2.95Å
521	K	71.5	Confident	61	Low	69 Å²	69	59.1 Å²	59.1	30%	0.3	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	112	174.9	-161.4	-176.2	-162	-155	0	108.8	I491 W493 D524	I491-K521 HydrophobicContact CG2-CG 3.84Å; W493-K521 HydrophobicContact CE3-CB 4.06Å; W493-K521 HydrophobicContact CE3-CG 4.39Å; W493-K521 HydrophobicContact CH2-CB 4.38Å; W493-K521 HydrophobicContact CH2-CG 4.15Å; W493-K521 HydrophobicContact CZ3-CB 3.69Å; W493-K521 HydrophobicContact CZ3-CG 3.93Å; K521-D524 VanDerWaalsContact CE-CG 3.46Å; K521-D524 WeakPolarHBondContact CE-OD1 3.5Å; K521-D524 VanDerWaalsContact CE-OD2 3.22Å; K521-D524 WeakPolarHBondContact CE-OD2 3.37Å; K521-D524 IonicContact NZ-OD1 2.95Å; K521-D524 PolarHBondContact NZ-OD1 2.68Å; K521-D524 IonicContact NZ-OD2 2.31Å; K521-D524 PolarHBondContact NZ-OD2 2.65Å
522	T	58.4	Low	61.1	Low	57 Å²	57	59.4 Å²	59.4	35%	0.35	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-34.1	-170.3	-50.1	0	0	0	0	112.3	I492 S494 S520	I492-T522 WeakPolarHBondContact O-CA 3.2Å; I492-T522 WeakPolarHBondContact O-CB 3.36Å; I492-T522 PolarHBondContact O-N 2.94Å; S494-T522 WeakPolarHBondContact CB-OG1 2.94Å; S494-T522 PolarHBondContact N-OG1 2.95Å; S494-T522 VanDerWaalsContact N-OG1 3.11Å; S494-T522 PolarHBondContact OG-OG1 2.87Å; S520-T522 PolarHBondContact O-N 2.69Å; S520-T522 VanDerWaalsContact O-N 3.15Å; S520-T522 PolarHBondContact O-OG1 2.95Å
523	M	52.8	Low	61	Low	25 Å²	25	60.2 Å²	60.2	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	145.6	-177.9	-75	-157.6	145.1	0	0	113.6	I491 I492 Y525 L673 L674	I491-M523 WeakPolarHBondContact CA-O 3.4Å; I492-M523 HydrophobicContact CB-CB 4.25Å; I492-M523 PolarHBondContact N-O 3.44Å; I492-M523 VanDerWaalsContact N-O 3.13Å; I492-M523 PolarHBondContact O-N 2.9Å; M523-Y525 HydrophobicContact CB-CD2 3.54Å; M523-Y525 HydrophobicContact CB-CE2 3.81Å; M523-Y525 HydrophobicContact CE-CD2 3.88Å; M523-Y525 HydrophobicContact CE-CE2 3.87Å; M523-Y525 HydrophobicContact CG-CD2 3.65Å; M523-Y525 HydrophobicContact CG-CE2 3.68Å; M523-Y525 HydrophobicContact SD-CD2 3.63Å; M523-Y525 HydrophobicContact SD-CE2 4.06Å; M523-L673 WeakPolarHBondContact CE-O 3.5Å; M523-L674 HydrophobicContact CE-CD1 4Å; M523-L674 HydrophobicContact CE-CG 4.11Å; M523-L674 HydrophobicContact SD-CB 4.48Å; M523-L674 HydrophobicContact SD-CD1 3.38Å; M523-L674 WeakPolarHBondContact SD-CD1 3.17Å; M523-L674 HydrophobicContact SD-CG 3.51Å; M523-L674 VanDerWaalsContact SD-CG 3.51Å
524	D	53	Low	61.3	Low	82 Å²	82	58.2 Å²	58.2	44%	0.439	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	65.1	179.5	-78.5	-46	0	0	0	111.1	I491 K521	I491-D524 WeakPolarHBondContact CD1-OD1 3.39Å; I491-D524 WeakPolarHBondContact CG1-OD1 3.11Å; K521-D524 VanDerWaalsContact CE-CG 3.46Å; K521-D524 WeakPolarHBondContact CE-OD1 3.5Å; K521-D524 VanDerWaalsContact CE-OD2 3.22Å; K521-D524 WeakPolarHBondContact CE-OD2 3.37Å; K521-D524 IonicContact NZ-OD1 2.95Å; K521-D524 PolarHBondContact NZ-OD1 2.68Å; K521-D524 IonicContact NZ-OD2 2.31Å; K521-D524 PolarHBondContact NZ-OD2 2.65Å
525	Y	53	Low	61.4	Low	92 Å²	92	53.3 Å²	53.3	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-20.8	-158.2	-66.5	-46.5	0	0	0	119.2	M523 R563 F672	M523-Y525 HydrophobicContact CB-CD2 3.54Å; M523-Y525 HydrophobicContact CB-CE2 3.81Å; M523-Y525 HydrophobicContact CE-CD2 3.88Å; M523-Y525 HydrophobicContact CE-CE2 3.87Å; M523-Y525 HydrophobicContact CG-CD2 3.65Å; M523-Y525 HydrophobicContact CG-CE2 3.68Å; M523-Y525 HydrophobicContact SD-CD2 3.63Å; M523-Y525 HydrophobicContact SD-CE2 4.06Å; Y525-R563 PolarHBondContact O-NH2 2.85Å; Y525-F672 AromaticContact CD1-CD1 3.87Å; Y525-F672 HydrophobicContact CD1-CD1 3.87Å; Y525-F672 AromaticContact CD1-CE1 3.41Å; Y525-F672 HydrophobicContact CD1-CE1 3.41Å; Y525-F672 VanDerWaalsContact CD1-CE1 3.41Å; Y525-F672 HydrophobicContact CD1-CZ 4.1Å; Y525-F672 HydrophobicContact CD2-CD1 4.22Å; Y525-F672 HydrophobicContact CE1-CE1 4.34Å; Y525-F672 AromaticContact CG-CD1 3.68Å; Y525-F672 HydrophobicContact CG-CD1 3.68Å; Y525-F672 AromaticContact CG-CE1 3.58Å; Y525-F672 HydrophobicContact CG-CE1 3.58Å; Y525-F672 HydrophobicContact CG-CG 4.31Å; Y525-F672 HydrophobicContact CG-CZ 4.12Å; Y525-F672 WeakPolarHBondContact O-CE2 3.34Å; Y525-F672 WeakPolarHBondContact O-CZ 3.26Å
526	F	50.2	Low	61.5	Low	27 Å²	27	55.9 Å²	55.9	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.1	180	-50.5	-71	0	0	0	112.6	Q489 I490 D530 V559 V561 F672	Q489-F526 CarbonylContact C-O 3.58Å; Q489-F526 VanDerWaalsContact CA-O 3.31Å; Q489-F526 WeakPolarHBondContact CA-O 3.5Å; I490-F526 HydrophobicContact CB-CB 4.09Å; I490-F526 HydrophobicContact CB-CD2 4.32Å; I490-F526 HydrophobicContact CD1-CB 4.05Å; I490-F526 HydrophobicContact CG1-CB 4.16Å; I490-F526 PolarHBondContact N-O 2.93Å; F526-D530 VanDerWaalsContact CA-OD2 3.3Å; F526-D530 WeakPolarHBondContact CA-OD2 3.42Å; F526-V559 HydrophobicContact CE1-CB 4.47Å; F526-V559 HydrophobicContact CE1-CG1 3.8Å; F526-V559 HydrophobicContact CZ-CB 4.29Å; F526-V559 HydrophobicContact CZ-CG1 3.93Å; F526-V559 HydrophobicContact CZ-CG2 4.38Å; F526-V561 HydrophobicContact CD1-CG1 4.01Å; F526-V561 HydrophobicContact CE1-CG1 3.93Å; F526-F672 HydrophobicContact CD1-CD2 4.46Å; F526-F672 HydrophobicContact CD1-CE2 4.25Å; F526-F672 AromaticContact CE1-CD2 3.76Å; F526-F672 HydrophobicContact CE1-CD2 3.76Å; F526-F672 AromaticContact CE1-CE2 3.99Å; F526-F672 HydrophobicContact CE1-CE2 3.99Å; F526-F672 HydrophobicContact CZ-CD2 4.23Å
527	L	44.6	Very low	61.4	Low	61 Å²	61	59.6 Å²	59.6	32%	0.319	31%	0.306	S	S	.	.			trans	-114.1	154.1	167.4	-68.2	-179	0	0	0	110.2	G488 Q489 G529 D530	G488-L527 CarbonylContact O-C 3.57Å; G488-L527 VanDerWaalsContact O-CA 3.3Å; G488-L527 WeakPolarHBondContact O-CA 3.36Å; Q489-L527 HydrophobicContact CG-CD2 3.56Å; L527-G529 PolarHBondContact O-N 3Å; L527-D530 PolarHBondContact N-OD2 2.77Å; L527-D530 VanDerWaalsContact O-CB 3.23Å; L527-D530 WeakPolarHBondContact O-CB 3.38Å; L527-D530 PolarHBondContact O-N 2.89Å
528	V	38	Very low	61.3	Low	119 Å²	119	65.3 Å²	65.3	72%	0.721	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	124.7	167	164.6	0	0	0	0	108.8	G488	G488-V528 PolarHBondContact O-N 3.19Å
529	G	40	Very low	61.1	Low	44 Å²	44	66.9 Å²	66.9	45%	0.454	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.6	-20.7	-166.1	0	0	0	0	0	112.9	L527 R531	L527-G529 PolarHBondContact O-N 3Å; G529-R531 PolarHBondContact O-N 2.77Å
530	D	53.4	Low	60.8	Low	27 Å²	27	68.2 Å²	68.2	14%	0.144	35%	0.353	C	S	.	.			trans	-70.2	116	174.5	-72.7	-11	0	0	0	111.6	F526 L527 V561 E562 R563	F526-D530 VanDerWaalsContact CA-OD2 3.3Å; F526-D530 WeakPolarHBondContact CA-OD2 3.42Å; L527-D530 PolarHBondContact N-OD2 2.77Å; L527-D530 VanDerWaalsContact O-CB 3.23Å; L527-D530 WeakPolarHBondContact O-CB 3.38Å; L527-D530 PolarHBondContact O-N 2.89Å; D530-V561 HydrophobicContact CB-CB 4.12Å; D530-V561 HydrophobicContact CB-CG1 4.12Å; D530-V561 HydrophobicContact CB-CG2 4.44Å; D530-E562 WeakPolarHBondContact CA-O 3.33Å; D530-R563 VanDerWaalsContact OD1-CB 3.28Å; D530-R563 WeakPolarHBondContact OD1-CB 3.25Å; D530-R563 VanDerWaalsContact OD1-CG 3.24Å; D530-R563 WeakPolarHBondContact OD1-CG 3.43Å; D530-R563 IonicContact OD1-CZ 3.6Å; D530-R563 IonicContact OD1-NE 2.68Å; D530-R563 PolarHBondContact OD1-NE 3.17Å; D530-R563 IonicContact OD1-NH2 3.47Å; D530-R563 IonicContact OD2-CZ 2.7Å; D530-R563 IonicContact OD2-NE 3.41Å; D530-R563 PolarHBondContact OD2-NE 2.91Å; D530-R563 IonicContact OD2-NH2 3.45Å; D530-R563 PolarHBondContact OD2-NH2 2.91Å
531	R	56.4	Low	60.9	Low	156 Å²	156	73.7 Å²	73.7	59%	0.589	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.1	175	-174.2	-155.5	-167.9	174.7	3.3	109.3	G529 I533 V561 E562	G529-R531 PolarHBondContact O-N 2.77Å; R531-I533 PolarHBondContact O-N 2.86Å; R531-I533 VanDerWaalsContact O-N 3.1Å; R531-V561 CarbonylContact O-C 3.53Å; R531-V561 VanDerWaalsContact O-CA 3.28Å; R531-V561 WeakPolarHBondContact O-CA 3.29Å; R531-E562 HydrophobicContact CB-CB 3.98Å; R531-E562 WeakPolarHBondContact CD-OE2 3.5Å; R531-E562 IonicContact CZ-OE2 2.69Å; R531-E562 PolarHBondContact N-O 2.72Å; R531-E562 IonicContact NE-OE2 2.64Å; R531-E562 IonicContact NH1-OE1 3.26Å; R531-E562 IonicContact NH1-OE2 3.63Å; R531-E562 PolarHBondContact NH1-OE2 3.26Å; R531-E562 PolarHBondContact O-N 3.46Å
532	I	63.4	Low	61.1	Low	52 Å²	52	72.8 Å²	72.8	27%	0.267	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	112.6	173.5	-57.1	170.6	0	0	0	109.1	L535 V540 V559 V561	I532-L535 HydrophobicContact CG2-CD2 4.15Å; I532-L535 HydrophobicContact CG2-CG 3.98Å; I532-V540 HydrophobicContact CG2-CB 4.41Å; I532-V540 HydrophobicContact CG2-CG2 3.85Å; I532-V559 HydrophobicContact CG1-CG1 4.41Å; I532-V559 HydrophobicContact CG2-CG1 4.03Å; I532-V561 HydrophobicContact CB-CG1 4.4Å; I532-V561 HydrophobicContact CG1-CG1 3.85Å
533	I	69.3	Low	61.4	Low	64 Å²	64	78.1 Å²	78.1	33%	0.328	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-47.3	176.8	-48.4	172.2	0	0	0	109.7	R531 P539 V540 T560 E562	R531-I533 PolarHBondContact O-N 2.86Å; R531-I533 VanDerWaalsContact O-N 3.1Å; I533-P539 WeakPolarHBondContact O-CA 3.15Å; I533-V540 PolarHBondContact O-N 2.85Å; I533-T560 PolarHBondContact N-O 3.07Å; I533-E562 HydrophobicContact CD1-CB 3.79Å; I533-E562 HydrophobicContact CD1-CG 4.07Å; I533-E562 HydrophobicContact CG1-CB 3.98Å
534	L	66.3	Low	62.2	Low	44 Å²	44	87.3 Å²	87.3	23%	0.23	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142	-173.5	-54.1	171.5	0	0	0	111.7	K538 P539 V559 T560	L534-K538 CarbonylContact C-O 3.59Å; L534-K538 VanDerWaalsContact CA-O 3.31Å; L534-K538 WeakPolarHBondContact CA-O 3.15Å; L534-P539 HydrophobicContact CD2-CB 4.33Å; L534-V559 WeakPolarHBondContact O-CA 3.37Å; L534-T560 HydrophobicContact CD1-CG2 4.41Å; L534-T560 PolarHBondContact N-O 2.81Å; L534-T560 PolarHBondContact O-N 3.27Å
535	L	67.7	Low	63.1	Low	2 Å²	2	86.4 Å²	86.4	1%	0.01	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.1	162.9	-72.6	174.3	0	0	0	108.7	I532 K537 K538 V540 L549 L550 I557 D558 V559	I532-L535 HydrophobicContact CG2-CD2 4.15Å; I532-L535 HydrophobicContact CG2-CG 3.98Å; L535-K537 PolarHBondContact O-N 3.04Å; L535-K538 PolarHBondContact N-O 3.32Å; L535-K538 WeakPolarHBondContact O-CB 3.4Å; L535-K538 PolarHBondContact O-N 2.97Å; L535-V540 HydrophobicContact CB-CG2 4Å; L535-V540 HydrophobicContact CD1-CG2 3.68Å; L535-V540 HydrophobicContact CG-CG2 3.59Å; L535-L549 HydrophobicContact CB-CB 4.21Å; L535-L549 HydrophobicContact CB-CD1 4.13Å; L535-L549 HydrophobicContact CD1-CB 3.78Å; L535-L549 HydrophobicContact CD1-CD1 4.38Å; L535-L550 HydrophobicContact CD1-CD2 4.32Å; L535-L550 HydrophobicContact CD1-CG 4.11Å; L535-L550 HydrophobicContact CD2-CD2 4.09Å; L535-I557 HydrophobicContact CD2-CG2 3.87Å; L535-D558 CarbonylContact C-O 3.59Å; L535-D558 WeakPolarHBondContact CA-O 3.3Å; L535-V559 HydrophobicContact CD2-CB 4.18Å; L535-V559 HydrophobicContact CD2-CG1 3.9Å; L535-V559 HydrophobicContact CD2-CG2 3.71Å
536	N	68.6	Low	63.5	Low	57 Å²	57	82.9 Å²	82.9	31%	0.305	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	45.1	-173	-82.8	-32.8	0	0	0	112.9	K538 S553 A556 I557 D558	N536-K538 PolarHBondContact O-N 2.75Å; N536-S553 PolarHBondContact ND2-OG 2.96Å; N536-A556 PolarHBondContact ND2-O 3.36Å; N536-A556 VanDerWaalsContact ND2-O 3.16Å; N536-A556 PolarHBondContact OD1-O 3.16Å; N536-I557 WeakPolarHBondContact OD1-CA 3.49Å; N536-D558 PolarHBondContact N-O 2.82Å; N536-D558 PolarHBondContact OD1-N 2.96Å
537	K	72.2	Confident	64.1	Low	157 Å²	157	85 Å²	85	68%	0.683	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	7.8	-177	-56.3	169.5	-173	165.4	0	114.7	L535 D558	L535-K537 PolarHBondContact O-N 3.04Å; K537-D558 WeakPolarHBondContact CE-OD2 3.26Å; K537-D558 IonicContact NZ-OD2 3.78Å
538	K	76.1	Confident	65.4	Low	126 Å²	126	88.5 Å²	88.5	55%	0.548	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135	171.3	-61.5	176.3	179	177	0	109.9	L534 L535 N536 V540 L549	L534-K538 CarbonylContact C-O 3.59Å; L534-K538 VanDerWaalsContact CA-O 3.31Å; L534-K538 WeakPolarHBondContact CA-O 3.15Å; L535-K538 PolarHBondContact N-O 3.32Å; L535-K538 WeakPolarHBondContact O-CB 3.4Å; L535-K538 PolarHBondContact O-N 2.97Å; N536-K538 PolarHBondContact O-N 2.75Å; K538-V540 PolarHBondContact O-N 3.2Å; K538-L549 HydrophobicContact CB-CD1 4.4Å; K538-L549 HydrophobicContact CD-CD2 3.92Å
539	P	76.3	Confident	66.8	Low	79 Å²	79	84.4 Å²	84.4	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.9	179.1	27.8	-34.1	0	0	0	112.4	I533 L534 K541	I533-P539 WeakPolarHBondContact O-CA 3.15Å; L534-P539 HydrophobicContact CD2-CB 4.33Å; P539-K541 PolarHBondContact O-N 3.45Å
540	V	73.2	Confident	67.9	Low	28 Å²	28	85.9 Å²	85.9	17%	0.17	40%	0.4	C	S	.	.			trans	-82.5	110.1	175.6	179.2	0	0	0	0	109.1	I532 I533 L535 K538 C546 L549	I532-V540 HydrophobicContact CG2-CB 4.41Å; I532-V540 HydrophobicContact CG2-CG2 3.85Å; I533-V540 PolarHBondContact O-N 2.85Å; L535-V540 HydrophobicContact CB-CG2 4Å; L535-V540 HydrophobicContact CD1-CG2 3.68Å; L535-V540 HydrophobicContact CG-CG2 3.59Å; K538-V540 PolarHBondContact O-N 3.2Å; V540-C546 HydrophobicContact CG1-CB 3.63Å; V540-L549 HydrophobicContact CG2-CD1 4.45Å
541	K	74.4	Confident	68.5	Low	179 Å²	179	91.1 Å²	91.1	78%	0.778	42%	0.423	S	S	*	.			trans	-93.4	-23.5	-176.7	-63.8	179.2	-178.7	178.7	0	113.4	P539	P539-K541 PolarHBondContact O-N 3.45Å
542	S	74.7	Confident	68.9	Low	51 Å²	51	88.9 Å²	88.9	36%	0.357	42%	0.42	S	S	.	.	S	Bend	trans	-153.6	166.3	179.9	75.9	0	0	0	0	112.2	R544 D545 C546	S542-R544 PolarHBondContact O-N 3.12Å; S542-R544 PolarHBondContact OG-N 3.05Å; S542-D545 VanDerWaalsContact CB-OD2 3.26Å; S542-D545 WeakPolarHBondContact CB-OD2 3.33Å; S542-D545 PolarHBondContact N-OD2 3.13Å; S542-D545 PolarHBondContact O-N 3.21Å; S542-D545 VanDerWaalsContact OG-CG 3.3Å; S542-D545 PolarHBondContact OG-N 2.83Å; S542-D545 PolarHBondContact OG-OD2 2.87Å; S542-C546 PolarHBondContact O-N 2.97Å
543	K	65	Low	68.7	Low	169 Å²	169	87.4 Å²	87.4	74%	0.735	41%	0.414	S	S	*	.	H	α-helix	trans	-56.3	-31.7	171.2	178.9	168.8	178.9	170.3	0	112.6	C546 I547	K543-C546 WeakPolarHBondContact O-CB 3.2Å; K543-I547 HydrophobicContact CG-CD1 3.9Å; K543-I547 VanDerWaalsContact O-CG1 3.31Å; K543-I547 WeakPolarHBondContact O-CG1 3.3Å; K543-I547 PolarHBondContact O-N 3.21Å; K543-I547 VanDerWaalsContact O-N 3.08Å
544	R	71	Confident	67.9	Low	217 Å²	217	92.9 Å²	92.9	82%	0.819	44%	0.438	S	S	*	.	H	α-helix	trans	-71.1	-42.9	177.3	-70	-177.9	179.1	163.1	-0.2	111.6	S542 C546 I547 Y548	S542-R544 PolarHBondContact O-N 3.12Å; S542-R544 PolarHBondContact OG-N 3.05Å; R544-C546 VanDerWaalsContact C-N 3.29Å; R544-C546 PolarHBondContact O-N 2.9Å; R544-I547 PolarHBondContact O-N 3.42Å; R544-Y548 VanDerWaalsContact O-CB 3.26Å; R544-Y548 WeakPolarHBondContact O-CB 3.36Å; R544-Y548 PolarHBondContact O-N 3.09Å
545	D	70.9	Confident	67.2	Low	64 Å²	64	98.4 Å²	98.4	34%	0.342	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-39	174.6	-52.5	-62.1	0	0	0	111	S542 L549	S542-D545 VanDerWaalsContact CB-OD2 3.26Å; S542-D545 WeakPolarHBondContact CB-OD2 3.33Å; S542-D545 PolarHBondContact N-OD2 3.13Å; S542-D545 PolarHBondContact O-N 3.21Å; S542-D545 VanDerWaalsContact OG-CG 3.3Å; S542-D545 PolarHBondContact OG-N 2.83Å; S542-D545 PolarHBondContact OG-OD2 2.87Å; D545-L549 VanDerWaalsContact O-CB 3.26Å; D545-L549 WeakPolarHBondContact O-CB 3.09Å; D545-L549 WeakPolarHBondContact O-CG 3.42Å; D545-L549 PolarHBondContact O-N 3.39Å
546	C	61.8	Low	66.4	Low	18 Å²	18	100.1 Å²	100.1	12%	0.122	47%	0.474	C	S	.	.	H	α-helix	trans	-59.5	-52.3	176.3	-165.8	0	0	0	0	111.8	V540 S542 K543 R544 L549 L550	V540-C546 HydrophobicContact CG1-CB 3.63Å; S542-C546 PolarHBondContact O-N 2.97Å; K543-C546 WeakPolarHBondContact O-CB 3.2Å; R544-C546 VanDerWaalsContact C-N 3.29Å; R544-C546 PolarHBondContact O-N 2.9Å; C546-L549 PolarHBondContact O-N 2.95Å; C546-L550 VanDerWaalsContact O-CG 3.28Å; C546-L550 WeakPolarHBondContact O-CG 3.43Å; C546-L550 PolarHBondContact O-N 2.97Å; C546-L550 VanDerWaalsContact O-N 3.16Å
547	I	63.6	Low	65.7	Low	72 Å²	72	97.9 Å²	97.9	37%	0.369	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-50	179.1	-70.2	166.4	0	0	0	110	K543 R544 L549 L550 E551	K543-I547 HydrophobicContact CG-CD1 3.9Å; K543-I547 VanDerWaalsContact O-CG1 3.31Å; K543-I547 WeakPolarHBondContact O-CG1 3.3Å; K543-I547 PolarHBondContact O-N 3.21Å; K543-I547 VanDerWaalsContact O-N 3.08Å; R544-I547 PolarHBondContact O-N 3.42Å; I547-L549 PolarHBondContact O-N 3.28Å; I547-L550 PolarHBondContact O-N 3.07Å; I547-L550 VanDerWaalsContact O-N 3.12Å; I547-E551 VanDerWaalsContact CG2-CD 3.4Å; I547-E551 HydrophobicContact CG2-CG 4.09Å; I547-E551 WeakPolarHBondContact CG2-OE1 3.18Å; I547-E551 WeakPolarHBondContact O-CB 3.33Å; I547-E551 WeakPolarHBondContact O-CG 3.48Å; I547-E551 PolarHBondContact O-N 3.11Å
548	Y	71.7	Confident	64.9	Low	133 Å²	133	92.2 Å²	92.2	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-57.2	-44.8	179.6	178.1	-100.5	0	0	0	112.9	R544 L550 H552	R544-Y548 VanDerWaalsContact O-CB 3.26Å; R544-Y548 WeakPolarHBondContact O-CB 3.36Å; R544-Y548 PolarHBondContact O-N 3.09Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 2.79Å; Y548-H552 AromaticContact CD2-CE1 3.38Å; Y548-H552 WeakPolarHBondContact CD2-CE1 3.45Å; Y548-H552 AromaticContact CD2-ND1 3.4Å; Y548-H552 WeakPolarHBondContact CD2-ND1 3.36Å; Y548-H552 AromaticContact CE2-CD2 3.77Å; Y548-H552 AromaticContact CE2-CE1 3.36Å; Y548-H552 WeakPolarHBondContact CE2-CE1 3.35Å; Y548-H552 AromaticContact CE2-CG 3.78Å; Y548-H552 AromaticContact CE2-ND1 3.5Å; Y548-H552 WeakPolarHBondContact CE2-ND1 3.31Å; Y548-H552 AromaticContact CE2-NE2 3.5Å; Y548-H552 WeakPolarHBondContact CE2-NE2 3.38Å; Y548-H552 WeakPolarHBondContact O-CB 3.42Å; Y548-H552 PolarHBondContact O-N 2.79Å; Y548-H552 PolarHBondContact O-ND1 2.74Å
549	L	67.5	Low	64.1	Low	34 Å²	34	86.4 Å²	86.4	18%	0.178	41%	0.414	C	S	.	.	H	α-helix	trans	-70	-24.8	179.4	-72.9	171.5	0	0	0	113.6	L535 K538 V540 D545 C546 I547 S553	L535-L549 HydrophobicContact CB-CB 4.21Å; L535-L549 HydrophobicContact CB-CD1 4.13Å; L535-L549 HydrophobicContact CD1-CB 3.78Å; L535-L549 HydrophobicContact CD1-CD1 4.38Å; K538-L549 HydrophobicContact CB-CD1 4.4Å; K538-L549 HydrophobicContact CD-CD2 3.92Å; V540-L549 HydrophobicContact CG2-CD1 4.45Å; D545-L549 VanDerWaalsContact O-CB 3.26Å; D545-L549 WeakPolarHBondContact O-CB 3.09Å; D545-L549 WeakPolarHBondContact O-CG 3.42Å; D545-L549 PolarHBondContact O-N 3.39Å; C546-L549 PolarHBondContact O-N 2.95Å; I547-L549 PolarHBondContact O-N 3.28Å; L549-S553 WeakPolarHBondContact O-CB 3.36Å
550	L	63	Low	63.1	Low	75 Å²	75	83.1 Å²	83.1	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-77.5	-52.9	171.5	-67.7	169	0	0	0	110.6	L535 C546 I547 Y548 H552 S553 I557	L535-L550 HydrophobicContact CD1-CD2 4.32Å; L535-L550 HydrophobicContact CD1-CG 4.11Å; L535-L550 HydrophobicContact CD2-CD2 4.09Å; C546-L550 VanDerWaalsContact O-CG 3.28Å; C546-L550 WeakPolarHBondContact O-CG 3.43Å; C546-L550 PolarHBondContact O-N 2.97Å; C546-L550 VanDerWaalsContact O-N 3.16Å; I547-L550 PolarHBondContact O-N 3.07Å; I547-L550 VanDerWaalsContact O-N 3.12Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 2.79Å; L550-H552 VanDerWaalsContact C-N 3.25Å; L550-H552 PolarHBondContact O-N 2.93Å; L550-S553 PolarHBondContact O-N 2.63Å; L550-I557 HydrophobicContact CD2-CD1 3.87Å; L550-I557 HydrophobicContact CD2-CG2 4.33Å
551	E	64.5	Low	62.2	Low	136 Å²	136	81.8 Å²	81.8	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-57	-34.4	-179.1	-72.5	172.6	163.8	0	0	113.5	I547	I547-E551 VanDerWaalsContact CG2-CD 3.4Å; I547-E551 HydrophobicContact CG2-CG 4.09Å; I547-E551 WeakPolarHBondContact CG2-OE1 3.18Å; I547-E551 WeakPolarHBondContact O-CB 3.33Å; I547-E551 WeakPolarHBondContact O-CG 3.48Å; I547-E551 PolarHBondContact O-N 3.11Å
552	H	66.1	Low	61.1	Low	110 Å²	110	74.9 Å²	74.9	51%	0.509	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	10.2	-175	-62.4	69.6	0	0	0	113.3	Y548 L550 Q554	Y548-H552 AromaticContact CD2-CE1 3.38Å; Y548-H552 WeakPolarHBondContact CD2-CE1 3.45Å; Y548-H552 AromaticContact CD2-ND1 3.4Å; Y548-H552 WeakPolarHBondContact CD2-ND1 3.36Å; Y548-H552 AromaticContact CE2-CD2 3.77Å; Y548-H552 AromaticContact CE2-CE1 3.36Å; Y548-H552 WeakPolarHBondContact CE2-CE1 3.35Å; Y548-H552 AromaticContact CE2-CG 3.78Å; Y548-H552 AromaticContact CE2-ND1 3.5Å; Y548-H552 WeakPolarHBondContact CE2-ND1 3.31Å; Y548-H552 AromaticContact CE2-NE2 3.5Å; Y548-H552 WeakPolarHBondContact CE2-NE2 3.38Å; Y548-H552 WeakPolarHBondContact O-CB 3.42Å; Y548-H552 PolarHBondContact O-N 2.79Å; Y548-H552 PolarHBondContact O-ND1 2.74Å; L550-H552 VanDerWaalsContact C-N 3.25Å; L550-H552 PolarHBondContact O-N 2.93Å; H552-Q554 PolarHBondContact O-N 3.11Å
553	S	59.4	Low	59.8	Low	20 Å²	20	74.4 Å²	74.4	14%	0.14	35%	0.346	C	S	.	.			trans	-86.9	97.7	178.4	-150	0	0	0	0	112.6	N536 L549 L550 K555	N536-S553 PolarHBondContact ND2-OG 2.96Å; L549-S553 WeakPolarHBondContact O-CB 3.36Å; L550-S553 PolarHBondContact O-N 2.63Å; S553-K555 PolarHBondContact O-N 3.37Å; S553-K555 PolarHBondContact OG-O 2.86Å
554	Q	52	Low	58.7	Low	179 Å²	179	72.7 Å²	72.7	84%	0.836	34%	0.339	S	S	*	.			trans	-75.2	10.2	172	-64.7	-177.7	-28.9	0	0	113.9	H552	H552-Q554 PolarHBondContact O-N 3.11Å
555	K	52.2	Low	57.3	Low	161 Å²	161	66.8 Å²	66.8	70%	0.7	32%	0.323	S	S	*	.	S	Bend	trans	-145.9	171.2	-174.8	-64.2	-167.8	177.6	-171	0	110	S553 I676	S553-K555 PolarHBondContact O-N 3.37Å; S553-K555 PolarHBondContact OG-O 2.86Å; K555-I676 WeakPolarHBondContact O-CD1 3.47Å
556	A	50.9	Low	55.5	Low	37 Å²	37	73.5 Å²	73.5	31%	0.306	35%	0.352	S	S	.	.			trans	-44	143.5	169.9	0	0	0	0	0	112.8	N536 L674 R675	N536-A556 PolarHBondContact ND2-O 3.36Å; N536-A556 VanDerWaalsContact ND2-O 3.16Å; N536-A556 PolarHBondContact OD1-O 3.16Å; A556-L674 CarbonylContact C-O 3.53Å; A556-L674 WeakPolarHBondContact CA-O 3.4Å; A556-L674 WeakPolarHBondContact CB-O 3.43Å; A556-R675 HydrophobicContact CB-CG 4.36Å
557	I	54	Low	54.3	Low	10 Å²	10	76.4 Å²	76.4	5%	0.051	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	105	-173.3	-45.2	-176	0	0	0	110.3	L535 N536 L550 V559 L674	L535-I557 HydrophobicContact CD2-CG2 3.87Å; N536-I557 WeakPolarHBondContact OD1-CA 3.49Å; L550-I557 HydrophobicContact CD2-CD1 3.87Å; L550-I557 HydrophobicContact CD2-CG2 4.33Å; I557-V559 HydrophobicContact CG2-CG2 3.96Å; I557-V559 PolarHBondContact O-N 2.69Å; I557-L674 HydrophobicContact CB-CB 4.08Å; I557-L674 PolarHBondContact N-O 2.81Å; I557-L674 WeakPolarHBondContact O-CB 3.29Å; I557-L674 PolarHBondContact O-N 3.41Å
558	D	55.5	Low	52.8	Low	38 Å²	38	80.4 Å²	80.4	20%	0.203	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	105.3	168.2	-77.6	-11.4	0	0	0	109.1	L535 N536 K537 F672 L673	L535-D558 CarbonylContact C-O 3.59Å; L535-D558 WeakPolarHBondContact CA-O 3.3Å; N536-D558 PolarHBondContact N-O 2.82Å; N536-D558 PolarHBondContact OD1-N 2.96Å; K537-D558 WeakPolarHBondContact CE-OD2 3.26Å; K537-D558 IonicContact NZ-OD2 3.78Å; D558-F672 CarbonylContact C-O 3.47Å; D558-F672 WeakPolarHBondContact CA-O 3.23Å; D558-L673 VanDerWaalsContact OD1-CD1 3.29Å; D558-L673 WeakPolarHBondContact OD1-CD1 3.39Å; D558-L673 VanDerWaalsContact OD1-CG 3.31Å; D558-L673 WeakPolarHBondContact OD1-CG 3.2Å
559	V	57.4	Low	50.8	Low	4 Å²	4	80.5 Å²	80.5	2%	0.024	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.2	176	-168.5	0	0	0	0	109	F526 I532 L534 L535 I557 V561 F672 L674	F526-V559 HydrophobicContact CE1-CB 4.47Å; F526-V559 HydrophobicContact CE1-CG1 3.8Å; F526-V559 HydrophobicContact CZ-CB 4.29Å; F526-V559 HydrophobicContact CZ-CG1 3.93Å; F526-V559 HydrophobicContact CZ-CG2 4.38Å; I532-V559 HydrophobicContact CG1-CG1 4.41Å; I532-V559 HydrophobicContact CG2-CG1 4.03Å; L534-V559 WeakPolarHBondContact O-CA 3.37Å; L535-V559 HydrophobicContact CD2-CB 4.18Å; L535-V559 HydrophobicContact CD2-CG1 3.9Å; L535-V559 HydrophobicContact CD2-CG2 3.71Å; I557-V559 HydrophobicContact CG2-CG2 3.96Å; I557-V559 PolarHBondContact O-N 2.69Å; V559-V561 HydrophobicContact CG1-CG1 4.39Å; V559-F672 HydrophobicContact CB-CB 4.43Å; V559-F672 PolarHBondContact N-O 3.3Å; V559-F672 PolarHBondContact O-N 2.58Å; V559-F672 VanDerWaalsContact O-O 3.09Å; V559-L674 HydrophobicContact CG2-CD1 3.77Å
560	T	55.8	Low	49.2	Very low	10 Å²	10	80.9 Å²	80.9	6%	0.061	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.9	171.5	-49.2	0	0	0	0	109.8	I533 L534 E669 V670 R671	I533-T560 PolarHBondContact N-O 3.07Å; L534-T560 HydrophobicContact CD1-CG2 4.41Å; L534-T560 PolarHBondContact N-O 2.81Å; L534-T560 PolarHBondContact O-N 3.27Å; T560-E669 HydrophobicContact CG2-CG 3.82Å; T560-V670 WeakPolarHBondContact CA-O 3.27Å; T560-R671 HydrophobicContact CG2-CG 3.92Å
561	V	55.7	Low	47.7	Very low	0 Å²	0	82.3 Å²	82.3	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145	179.6	-68.9	0	0	0	0	112.4	F526 D530 R531 I532 V559 V670 F672	F526-V561 HydrophobicContact CD1-CG1 4.01Å; F526-V561 HydrophobicContact CE1-CG1 3.93Å; D530-V561 HydrophobicContact CB-CB 4.12Å; D530-V561 HydrophobicContact CB-CG1 4.12Å; D530-V561 HydrophobicContact CB-CG2 4.44Å; R531-V561 CarbonylContact O-C 3.53Å; R531-V561 VanDerWaalsContact O-CA 3.28Å; R531-V561 WeakPolarHBondContact O-CA 3.29Å; I532-V561 HydrophobicContact CB-CG1 4.4Å; I532-V561 HydrophobicContact CG1-CG1 3.85Å; V559-V561 HydrophobicContact CG1-CG1 4.39Å; V561-V670 HydrophobicContact CG2-CB 4.02Å; V561-V670 PolarHBondContact N-O 3.15Å; V561-V670 PolarHBondContact O-N 2.86Å; V561-F672 HydrophobicContact CG2-CD2 4.23Å; V561-F672 HydrophobicContact CG2-CE2 3.6Å; V561-F672 HydrophobicContact CG2-CZ 4.5Å
562	E	51	Low	46.4	Very low	35 Å²	35	81.3 Å²	81.3	16%	0.164	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.3	159.6	-138.9	176.5	174.2	0	0	106.8	D530 R531 I533 Y667	D530-E562 WeakPolarHBondContact CA-O 3.33Å; R531-E562 HydrophobicContact CB-CB 3.98Å; R531-E562 WeakPolarHBondContact CD-OE2 3.5Å; R531-E562 IonicContact CZ-OE2 2.69Å; R531-E562 PolarHBondContact N-O 2.72Å; R531-E562 IonicContact NE-OE2 2.64Å; R531-E562 IonicContact NH1-OE1 3.26Å; R531-E562 IonicContact NH1-OE2 3.63Å; R531-E562 PolarHBondContact NH1-OE2 3.26Å; R531-E562 PolarHBondContact O-N 3.46Å; I533-E562 HydrophobicContact CD1-CB 3.79Å; I533-E562 HydrophobicContact CD1-CG 4.07Å; I533-E562 HydrophobicContact CG1-CB 3.98Å; E562-Y667 HydrophobicContact CG-CD1 4.5Å
563	R	47.3	Very low	45.2	Very low	40 Å²	40	82.6 Å²	82.6	15%	0.151	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.1	171.1	-178.6	166.9	-67.1	177.1	5.7	110.2	Y525 D530 L565 G668	Y525-R563 PolarHBondContact O-NH2 2.85Å; D530-R563 VanDerWaalsContact OD1-CB 3.28Å; D530-R563 WeakPolarHBondContact OD1-CB 3.25Å; D530-R563 VanDerWaalsContact OD1-CG 3.24Å; D530-R563 WeakPolarHBondContact OD1-CG 3.43Å; D530-R563 IonicContact OD1-CZ 3.6Å; D530-R563 IonicContact OD1-NE 2.68Å; D530-R563 PolarHBondContact OD1-NE 3.17Å; D530-R563 IonicContact OD1-NH2 3.47Å; D530-R563 IonicContact OD2-CZ 2.7Å; D530-R563 IonicContact OD2-NE 3.41Å; D530-R563 PolarHBondContact OD2-NE 2.91Å; D530-R563 IonicContact OD2-NH2 3.45Å; D530-R563 PolarHBondContact OD2-NH2 2.91Å; R563-L565 HydrophobicContact CG-CD2 3.98Å; R563-L565 HydrophobicContact CG-CG 4.21Å; R563-G668 PolarHBondContact N-O 3.44Å
564	F	41.9	Very low	44.6	Very low	134 Å²	134	87.3 Å²	87.3	59%	0.588	48%	0.478	S	S	*	.			trans	-74.9	127.8	164	-68.9	-84.8	0	0	0	109.2
565	L	40.6	Very low	44.6	Very low	93 Å²	93	84.6 Å²	84.6	49%	0.487	46%	0.463	S	S	.	.			trans	-115.1	99.6	174.8	-68	172.4	0	0	0	108	R563 V567 I662	R563-L565 HydrophobicContact CG-CD2 3.98Å; R563-L565 HydrophobicContact CG-CG 4.21Å; L565-V567 HydrophobicContact CB-CG2 4.13Å; L565-V567 PolarHBondContact O-N 2.81Å; L565-I662 HydrophobicContact CD1-CD1 4.26Å
566	E	34.6	Very low	44.8	Very low	205 Å²	205	82.8 Å²	82.8	96%	0.958	45%	0.452	S	S	*	.			trans	-68	114.5	160.7	-74.6	-170.7	136.6	0	0	107.7
567	V	35.3	Very low	45.5	Very low	79 Å²	79	86.1 Å²	86.1	48%	0.479	46%	0.459	S	S	.	.			trans	-113.3	110.3	177.1	178.1	0	0	0	0	107.7	L565 S569 I662	L565-V567 HydrophobicContact CB-CG2 4.13Å; L565-V567 PolarHBondContact O-N 2.81Å; V567-S569 PolarHBondContact O-N 2.7Å; V567-I662 HydrophobicContact CG2-CD1 4.19Å; V567-I662 HydrophobicContact CG2-CG2 4.2Å
568	D	33.6	Very low	46.2	Very low	156 Å²	156	87.3 Å²	87.3	83%	0.834	47%	0.467	S	S	*	.			trans	-49.6	138.4	167.6	-91.6	-43.1	0	0	0	109.8	G570	D568-G570 PolarHBondContact O-N 2.83Å
569	S	29.4	Very low	46.9	Very low	134 Å²	134	91 Å²	91	94%	0.937	49%	0.486	S	S	*	.	S	Bend	trans	-76.7	55	-164.2	48.5	0	0	0	0	115	V567	V567-S569 PolarHBondContact O-N 2.7Å
570	G	32.4	Very low	47.6	Very low	43 Å²	43	93 Å²	93	44%	0.443	50%	0.497	S	S	.	.	S	Bend	trans	-118.3	136.4	167.5	0	0	0	0	0	111.3	D568 T572	D568-G570 PolarHBondContact O-N 2.83Å; G570-T572 PolarHBondContact O-N 3.21Å; G570-T572 PolarHBondContact O-OG1 2.78Å
571	A	31.5	Very low	48.6	Very low	105 Å²	105	96 Å²	96	87%	0.868	51%	0.512	S	S	*	.			trans	-78	66.5	-178.3	0	0	0	0	0	112.7
572	T	38	Very low	49.7	Very low	114 Å²	114	98 Å²	98	70%	0.699	52%	0.521	S	S	*	.			trans	-101.9	111.1	179	34.2	0	0	0	0	112.1	G570 N574	G570-T572 PolarHBondContact O-N 3.21Å; G570-T572 PolarHBondContact O-OG1 2.78Å; T572-N574 PolarHBondContact O-N 3.01Å
573	F	41.5	Very low	51	Low	137 Å²	137	101.9 Å²	101.9	60%	0.601	54%	0.537	S	S	*	.			trans	-66.9	102.2	173.1	-63.8	-94.6	0	0	0	110.9	K575 R661	F573-K575 PolarHBondContact O-N 3.38Å; F573-R661 HydrophobicContact CE1-CG 4.17Å
574	N	46.9	Very low	52.7	Low	120 Å²	120	100 Å²	100	64%	0.642	53%	0.53	S	S	*	.			trans	-76.3	111.9	170.5	-93.6	-30.2	0	0	0	110.4	T572 R576	T572-N574 PolarHBondContact O-N 3.01Å; N574-R576 PolarHBondContact O-N 3.11Å
575	K	51.7	Low	54.5	Low	121 Å²	121	101 Å²	101	53%	0.526	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	107	170.6	-74.5	174.3	168.2	-73.7	0	109.5	F573 E657 E659	F573-K575 PolarHBondContact O-N 3.38Å; K575-E657 IonicContact NZ-OE2 2.59Å; K575-E659 WeakPolarHBondContact CE-OE1 3.5Å; K575-E659 HydrophobicContact CG-CG 4.16Å; K575-E659 IonicContact NZ-OE1 3.79Å; K575-E659 PolarHBondContact NZ-OE1 3.08Å
576	R	55.9	Low	56.1	Low	123 Å²	123	98.6 Å²	98.6	46%	0.464	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.1	176.8	-171.4	176.7	-177.3	-176	1	110.4	N574 V578 E657 E658	N574-R576 PolarHBondContact O-N 3.11Å; R576-V578 HydrophobicContact CG-CG2 4.23Å; R576-E657 WeakPolarHBondContact O-CA 3.39Å; R576-E658 PolarHBondContact N-O 3.47Å; R576-E658 VanDerWaalsContact N-O 3.09Å; R576-E658 PolarHBondContact O-N 3.47Å
577	K	64.7	Low	57.9	Low	107 Å²	107	94.9 Å²	94.9	47%	0.465	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130	168	-73.7	170.6	171.4	-64.8	0	109.7	E655 R656 E657	K577-E655 WeakPolarHBondContact CD-OE1 3.22Å; K577-E655 WeakPolarHBondContact CE-OE1 3.47Å; K577-E655 IonicContact NZ-OE1 2.72Å; K577-E655 PolarHBondContact NZ-OE1 3.48Å; K577-R656 CarbonylContact C-O 3.59Å; K577-R656 WeakPolarHBondContact CA-O 3.3Å; K577-E657 VanDerWaalsContact CE-OE1 3.25Å; K577-E657 WeakPolarHBondContact CE-OE1 3.47Å; K577-E657 HydrophobicContact CG-CG 3.8Å; K577-E657 IonicContact NZ-OE1 3.95Å; K577-E657 PolarHBondContact NZ-OE1 3.27Å
578	V	68.7	Low	59.5	Low	35 Å²	35	98.5 Å²	98.5	21%	0.212	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128	-179.8	-173.9	0	0	0	0	108.5	R576 L580 R656	R576-V578 HydrophobicContact CG-CG2 4.23Å; V578-L580 HydrophobicContact CG1-CD2 3.82Å; V578-L580 HydrophobicContact CG1-CG 4.12Å; V578-R656 PolarHBondContact N-O 2.93Å; V578-R656 PolarHBondContact O-N 2.83Å
579	L	70.8	Confident	61.3	Low	116 Å²	116	93.9 Å²	93.9	61%	0.607	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.2	170.1	-71.1	171.1	0	0	0	109.3	M626 V653 I654 E655	L579-M626 HydrophobicContact CD2-CG 4.35Å; L579-V653 HydrophobicContact CD2-CG1 4.32Å; L579-I654 CarbonylContact C-O 3.53Å; L579-I654 VanDerWaalsContact CA-O 3.28Å; L579-I654 WeakPolarHBondContact CA-O 3.35Å; L579-E655 HydrophobicContact CD2-CB 3.95Å
580	L	71.7	Confident	63.6	Low	46 Å²	46	94.2 Å²	94.2	24%	0.241	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.5	-179.8	-59.9	169.5	0	0	0	109.2	V578 F582 V653 I654 R656	V578-L580 HydrophobicContact CG1-CD2 3.82Å; V578-L580 HydrophobicContact CG1-CG 4.12Å; L580-F582 HydrophobicContact CB-CE2 4.03Å; L580-F582 HydrophobicContact CB-CZ 3.92Å; L580-F582 HydrophobicContact CD1-CZ 4.09Å; L580-V653 WeakPolarHBondContact O-CA 3.49Å; L580-I654 HydrophobicContact CB-CD1 4.33Å; L580-I654 HydrophobicContact CB-CG1 3.81Å; L580-I654 HydrophobicContact CD1-CD1 4.2Å; L580-I654 HydrophobicContact CD1-CG1 4.5Å; L580-I654 PolarHBondContact N-O 2.86Å; L580-I654 PolarHBondContact O-N 3.2Å; L580-R656 HydrophobicContact CD1-CB 4.19Å
581	N	77.6	Confident	66.1	Low	72 Å²	72	96 Å²	96	39%	0.385	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.2	175.2	177.5	-88.3	0	0	0	109.4	D651 I652	N581-D651 PolarHBondContact ND2-OD1 3.23Å; N581-I652 CarbonylContact C-O 3.56Å; N581-I652 WeakPolarHBondContact CA-O 3.39Å
582	F	79.2	Confident	68.5	Low	43 Å²	43	94.2 Å²	94.2	19%	0.189	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.2	178.6	-60.4	-56.8	0	0	0	111.1	L580 I584 Y618 D651 I652 I654	L580-F582 HydrophobicContact CB-CE2 4.03Å; L580-F582 HydrophobicContact CB-CZ 3.92Å; L580-F582 HydrophobicContact CD1-CZ 4.09Å; F582-I584 HydrophobicContact CB-CG1 4.32Å; F582-Y618 HydrophobicContact CB-CD1 4.08Å; F582-Y618 AromaticContact CD1-CD1 3.86Å; F582-Y618 HydrophobicContact CD1-CD1 3.86Å; F582-Y618 HydrophobicContact CD2-CD1 4.44Å; F582-Y618 HydrophobicContact CE1-CD1 4.37Å; F582-Y618 VanDerWaalsContact CE2-O 3.24Å; F582-Y618 WeakPolarHBondContact CE2-O 3.19Å; F582-Y618 AromaticContact CG-CD1 3.89Å; F582-Y618 HydrophobicContact CG-CD1 3.89Å; F582-Y618 WeakPolarHBondContact CZ-O 3.27Å; F582-D651 CarbonylContact O-C 3.58Å; F582-D651 WeakPolarHBondContact O-CA 3.39Å; F582-I652 PolarHBondContact N-O 3.2Å; F582-I652 PolarHBondContact O-N 3.18Å; F582-I654 HydrophobicContact CE2-CD1 3.74Å; F582-I654 HydrophobicContact CE2-CG1 4.05Å
583	K	78.6	Confident	70.7	Confident	116 Å²	116	90.8 Å²	90.8	50%	0.504	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	95.6	168.1	-76.2	-169.2	170.5	-172.1	0	109.8	I649 I650 D651	K583-I649 HydrophobicContact CB-CG2 3.79Å; K583-I649 HydrophobicContact CD-CG2 4.3Å; K583-I649 HydrophobicContact CG-CG2 4.16Å; K583-I650 CarbonylContact C-O 3.53Å; K583-I650 WeakPolarHBondContact CA-O 3.47Å; K583-D651 WeakPolarHBondContact CE-OD2 2.94Å; K583-D651 HydrophobicContact CG-CB 4.21Å; K583-D651 IonicContact NZ-OD2 3.2Å
584	I	81.5	Confident	72.9	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.01	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.7	179.9	-52.7	-179	0	0	0	108.6	F582 F593 V614 Y618 F619 I649 I650 I652	F582-I584 HydrophobicContact CB-CG1 4.32Å; I584-F593 HydrophobicContact CD1-CE2 4.13Å; I584-F593 HydrophobicContact CD1-CZ 4.16Å; I584-F593 HydrophobicContact CG2-CE2 4.47Å; I584-V614 HydrophobicContact CG2-CG1 3.8Å; I584-Y618 HydrophobicContact CB-CE2 4.4Å; I584-Y618 HydrophobicContact CD1-CD1 4.48Å; I584-Y618 HydrophobicContact CD1-CD2 3.59Å; I584-Y618 HydrophobicContact CD1-CE2 4.01Å; I584-Y618 HydrophobicContact CD1-CG 3.86Å; I584-Y618 HydrophobicContact CG1-CD1 4.24Å; I584-Y618 HydrophobicContact CG1-CD2 3.86Å; I584-Y618 HydrophobicContact CG1-CE1 4.19Å; I584-Y618 HydrophobicContact CG1-CE2 3.82Å; I584-Y618 HydrophobicContact CG1-CG 4.08Å; I584-Y618 HydrophobicContact CG2-CD2 4.49Å; I584-Y618 HydrophobicContact CG2-CE2 3.92Å; I584-F619 HydrophobicContact CD1-CE2 4.16Å; I584-I649 WeakPolarHBondContact O-CA 3.42Å; I584-I650 PolarHBondContact N-O 3.24Å; I584-I650 PolarHBondContact O-N 3.29Å; I584-I652 HydrophobicContact CD1-CD1 3.91Å
585	R	79.5	Confident	75	Confident	154 Å²	154	81.4 Å²	81.4	58%	0.581	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.1	175	-62.2	-170.4	174.6	-172.3	-3.5	109.7	F588 I649	R585-F588 HydrophobicContact CB-CD2 4.34Å; R585-I649 HydrophobicContact CG-CD1 4.39Å; R585-I649 HydrophobicContact CG-CG1 4.19Å
586	T	74.4	Confident	76.8	Confident	42 Å²	42	76.6 Å²	76.6	26%	0.258	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-80	-16.7	-177.6	58.3	0	0	0	0	113.7	F588 E589 G648 I650	T586-F588 VanDerWaalsContact C-N 3.32Å; T586-F588 PolarHBondContact O-N 3.44Å; T586-E589 PolarHBondContact O-N 3.23Å; T586-G648 PolarHBondContact N-O 3.46Å; T586-G648 PolarHBondContact OG1-N 2.99Å; T586-G648 PolarHBondContact OG1-O 3.49Å; T586-G648 VanDerWaalsContact OG1-O 3.1Å; T586-I650 HydrophobicContact CG2-CD1 3.67Å; T586-I650 HydrophobicContact CG2-CG1 4.01Å
587	E	72.6	Confident	78.5	Confident	127 Å²	127	72.3 Å²	72.3	59%	0.593	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.8	-30.9	-176.3	-63.6	167.5	157	0	0	114.6	G648	E587-G648 WeakPolarHBondContact OE1-CA 3.26Å
588	F	69.5	Low	79.8	Confident	155 Å²	155	73.5 Å²	73.5	68%	0.68	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-104.4	1.6	-172.7	-59.8	-81.7	0	0	0	113.2	R585 T586	R585-F588 HydrophobicContact CB-CD2 4.34Å; T586-F588 VanDerWaalsContact C-N 3.32Å; T586-F588 PolarHBondContact O-N 3.44Å
589	E	72.2	Confident	80.8	Confident	59 Å²	59	74.7 Å²	74.7	28%	0.276	38%	0.376	S	S	.	.			trans	-110.1	111.6	-161.8	-176.8	54.7	-102	0	0	111.2	T586 R591 V614	T586-E589 PolarHBondContact O-N 3.23Å; E589-R591 VanDerWaalsContact OE1-CB 3.29Å; E589-R591 WeakPolarHBondContact OE1-CB 3.29Å; E589-R591 WeakPolarHBondContact OE1-CG 3.22Å; E589-R591 IonicContact OE1-CZ 3.54Å; E589-R591 PolarHBondContact OE1-N 2.94Å; E589-R591 VanDerWaalsContact OE1-N 3.11Å; E589-R591 IonicContact OE1-NE 3.5Å; E589-R591 PolarHBondContact OE1-NE 3.16Å; E589-R591 IonicContact OE1-NH2 2.69Å; E589-R591 IonicContact OE2-CZ 2.8Å; E589-R591 IonicContact OE2-NE 3.5Å; E589-R591 PolarHBondContact OE2-NE 3.22Å; E589-R591 IonicContact OE2-NH2 2.88Å; E589-R591 PolarHBondContact OE2-NH2 2.97Å; E589-V614 HydrophobicContact CG-CB 4.28Å; E589-V614 HydrophobicContact CG-CG1 4.05Å; E589-V614 HydrophobicContact CG-CG2 3.28Å
590	T	77	Confident	81.5	Confident	141 Å²	141	75 Å²	75	87%	0.865	37%	0.373	S	S	*	.			trans	-87.9	-12.7	-175.8	57.3	0	0	0	0	113.1
591	R	84.5	Confident	82	Confident	80 Å²	80	83.1 Å²	83.1	30%	0.302	41%	0.406	S	S	.	.	S	Bend	trans	-74.8	145.7	176.1	-64.7	175.5	-68.4	162.5	-0.9	111.1	E589 V614 D617	E589-R591 VanDerWaalsContact OE1-CB 3.29Å; E589-R591 WeakPolarHBondContact OE1-CB 3.29Å; E589-R591 WeakPolarHBondContact OE1-CG 3.22Å; E589-R591 IonicContact OE1-CZ 3.54Å; E589-R591 PolarHBondContact OE1-N 2.94Å; E589-R591 VanDerWaalsContact OE1-N 3.11Å; E589-R591 IonicContact OE1-NE 3.5Å; E589-R591 PolarHBondContact OE1-NE 3.16Å; E589-R591 IonicContact OE1-NH2 2.69Å; E589-R591 IonicContact OE2-CZ 2.8Å; E589-R591 IonicContact OE2-NE 3.5Å; E589-R591 PolarHBondContact OE2-NE 3.22Å; E589-R591 IonicContact OE2-NH2 2.88Å; E589-R591 PolarHBondContact OE2-NH2 2.97Å; R591-V614 HydrophobicContact CB-CG2 4.12Å; R591-V614 WeakPolarHBondContact O-CG2 3.32Å; R591-D617 IonicContact CZ-OD2 2.77Å; R591-D617 VanDerWaalsContact NH1-CG 3.31Å; R591-D617 IonicContact NH1-OD1 2.62Å; R591-D617 PolarHBondContact NH1-OD1 3.21Å; R591-D617 VanDerWaalsContact NH1-OD1 3.11Å; R591-D617 IonicContact NH1-OD2 3.83Å; R591-D617 PolarHBondContact NH1-OD2 3.21Å; R591-D617 IonicContact NH2-OD2 2.69Å; R591-D617 PolarHBondContact NH2-OD2 3.34Å
592	P	82.6	Confident	82.1	Confident	68 Å²	68	82.1 Å²	82.1	44%	0.442	41%	0.413	S	S	.	.			trans	-63.2	146.1	172.5	28.8	-35	0	0	0	110	G594 S613 V614	P592-G594 PolarHBondContact O-N 3.25Å; P592-S613 VanDerWaalsContact O-CA 3.26Å; P592-S613 WeakPolarHBondContact O-CA 3.33Å; P592-S613 WeakPolarHBondContact O-CB 3.43Å; P592-V614 PolarHBondContact O-N 3.01Å; P592-V614 VanDerWaalsContact O-N 3.11Å
593	F	84.6	Confident	82.4	Confident	42 Å²	42	85.7 Å²	85.7	18%	0.184	43%	0.426	C	S	.	.			trans	-60	-42.6	-177.5	-164.3	-95.6	0	0	0	112.9	I584 L595 V614 S615 F619 I643 I652	I584-F593 HydrophobicContact CD1-CE2 4.13Å; I584-F593 HydrophobicContact CD1-CZ 4.16Å; I584-F593 HydrophobicContact CG2-CE2 4.47Å; F593-L595 HydrophobicContact CD1-CB 3.89Å; F593-L595 HydrophobicContact CE1-CB 3.88Å; F593-L595 HydrophobicContact CE1-CD2 4.13Å; F593-L595 PolarHBondContact O-N 2.91Å; F593-V614 HydrophobicContact CD2-CB 4.16Å; F593-V614 HydrophobicContact CD2-CG1 4.42Å; F593-V614 HydrophobicContact CD2-CG2 4.49Å; F593-S615 WeakPolarHBondContact CE1-OG 3.25Å; F593-S615 WeakPolarHBondContact O-CB 3.47Å; F593-S615 PolarHBondContact O-N 3.05Å; F593-S615 PolarHBondContact O-OG 3.18Å; F593-F619 HydrophobicContact CE1-CE2 4.36Å; F593-F619 HydrophobicContact CZ-CE2 4.12Å; F593-I643 HydrophobicContact CD1-CG2 3.78Å; F593-I643 HydrophobicContact CD2-CG2 4.4Å; F593-I643 HydrophobicContact CE1-CD1 3.98Å; F593-I643 HydrophobicContact CE1-CG2 3.83Å; F593-I643 HydrophobicContact CE2-CG2 4.43Å; F593-I643 HydrophobicContact CG-CG2 4.08Å; F593-I643 HydrophobicContact CZ-CD1 4.45Å; F593-I643 HydrophobicContact CZ-CG2 4.16Å; F593-I652 HydrophobicContact CZ-CD1 4.31Å
594	G	86.7	Confident	83	Confident	25 Å²	25	80.2 Å²	80.2	26%	0.258	40%	0.402	S	S	.	.			trans	72.5	14.5	162.2	0	0	0	0	0	118.5	P592 R610	P592-G594 PolarHBondContact O-N 3.25Å; G594-R610 PolarHBondContact O-N 3.44Å
595	L	90.3	Very high	83.5	Confident	36 Å²	36	80.4 Å²	80.4	19%	0.188	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135	176.6	-156.2	67.3	0	0	0	112.5	F593 V597 V606 I609 S615 F619 I625 I643	F593-L595 HydrophobicContact CD1-CB 3.89Å; F593-L595 HydrophobicContact CE1-CB 3.88Å; F593-L595 HydrophobicContact CE1-CD2 4.13Å; F593-L595 PolarHBondContact O-N 2.91Å; L595-V597 HydrophobicContact CD2-CG1 3.72Å; L595-V597 HydrophobicContact CG-CG1 3.91Å; L595-V606 HydrophobicContact CD1-CB 4.48Å; L595-V606 HydrophobicContact CD1-CG1 3.71Å; L595-V606 HydrophobicContact CD1-CG2 3.92Å; L595-V606 HydrophobicContact CD2-CG2 4.39Å; L595-V606 HydrophobicContact CG-CG2 4.42Å; L595-I609 HydrophobicContact CD1-CG1 4.36Å; L595-S615 WeakPolarHBondContact CB-OG 3.46Å; L595-S615 PolarHBondContact N-OG 3.23Å; L595-F619 HydrophobicContact CD1-CB 3.96Å; L595-F619 HydrophobicContact CD1-CD1 4.16Å; L595-F619 HydrophobicContact CD1-CD2 3.72Å; L595-F619 HydrophobicContact CD1-CE2 4.18Å; L595-F619 HydrophobicContact CD1-CG 3.69Å; L595-F619 HydrophobicContact CD2-CE1 4.19Å; L595-F619 HydrophobicContact CD2-CE2 4.22Å; L595-F619 HydrophobicContact CD2-CZ 4.02Å; L595-I625 HydrophobicContact CD2-CD1 3.83Å; L595-I643 HydrophobicContact CD2-CD1 4.43Å
596	G	90.1	Very high	84.1	Confident	20 Å²	20	73 Å²	73	21%	0.206	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.6	171.1	0	0	0	0	0	112.3	T607 S608	G596-T607 WeakPolarHBondContact O-CA 3.29Å; G596-T607 PolarHBondContact O-N 2.98Å; G596-T607 PolarHBondContact O-OG1 3.08Å; G596-S608 WeakPolarHBondContact CA-O 3.46Å; G596-S608 PolarHBondContact N-O 3.41Å; G596-S608 PolarHBondContact O-N 2.89Å
597	V	92.5	Very high	84.9	Confident	32 Å²	32	73.4 Å²	73.4	19%	0.194	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	154.4	-173.4	-65.5	0	0	0	0	114	L595 V604 V605 V606 I625 K636	L595-V597 HydrophobicContact CD2-CG1 3.72Å; L595-V597 HydrophobicContact CG-CG1 3.91Å; V597-V604 HydrophobicContact CB-CG1 3.67Å; V597-V604 HydrophobicContact CG1-CG1 4.04Å; V597-V604 HydrophobicContact CG2-CG1 3.98Å; V597-V605 CarbonylContact C-O 3.6Å; V597-V605 VanDerWaalsContact CA-O 3.29Å; V597-V605 WeakPolarHBondContact CA-O 3.46Å; V597-V606 HydrophobicContact CG1-CG2 4.32Å; V597-I625 HydrophobicContact CG1-CD1 3.8Å; V597-K636 HydrophobicContact CG2-CB 4.08Å
598	K	91	Very high	85.8	Confident	132 Å²	132	70.4 Å²	70.4	57%	0.574	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	144.8	169.2	-61.7	-179	-166.3	171.5	0	110.9	V605 T607	K598-V605 PolarHBondContact N-O 3.41Å; K598-V605 PolarHBondContact O-N 3.47Å; K598-T607 HydrophobicContact CB-CG2 3.85Å; K598-T607 HydrophobicContact CD-CG2 3.97Å; K598-T607 HydrophobicContact CG-CG2 3.85Å
599	T	91	Very high	86.9	Confident	60 Å²	60	65.1 Å²	65.1	37%	0.368	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.5	170.9	-54.2	0	0	0	0	110.5	R603 K636	T599-R603 CarbonylContact C-O 3.57Å; T599-R603 VanDerWaalsContact CA-O 3.32Å; T599-R603 WeakPolarHBondContact CA-O 3.43Å; T599-K636 PolarHBondContact OG1-N 3.41Å; T599-K636 VanDerWaalsContact OG1-N 3.11Å
600	K	84.5	Confident	87.7	Confident	123 Å²	123	70.1 Å²	70.1	54%	0.535	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.8	-178.1	-174.2	-179.4	179.2	-174.6	0	107.3	G602 R603 V605 D622	K600-G602 VanDerWaalsContact C-N 3.27Å; K600-G602 PolarHBondContact O-N 2.94Å; K600-R603 PolarHBondContact N-O 3.06Å; K600-R603 PolarHBondContact O-N 3.46Å; K600-R603 VanDerWaalsContact O-N 3.11Å; K600-V605 HydrophobicContact CB-CG2 3.97Å; K600-V605 HydrophobicContact CD-CG2 4.26Å; K600-D622 IonicContact NZ-OD1 2.76Å; K600-D622 PolarHBondContact NZ-OD1 3.03Å; K600-D622 VanDerWaalsContact NZ-OD1 3.11Å
601	K	81.8	Confident	88.1	Confident	216 Å²	216	71.5 Å²	71.5	94%	0.939	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39	-175	-59	-177	176.3	-178.3	0	114.5	R603	K601-R603 VanDerWaalsContact C-N 3.27Å; K601-R603 PolarHBondContact O-N 3.22Å
602	G	81.1	Confident	88.1	Confident	52 Å²	52	74.3 Å²	74.3	54%	0.536	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	6.9	179.6	0	0	0	0	0	115.7	K600	K600-G602 VanDerWaalsContact C-N 3.27Å; K600-G602 PolarHBondContact O-N 2.94Å
603	R	85	Confident	88.4	Confident	118 Å²	118	71.1 Å²	71.1	45%	0.445	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.5	168	-53.9	-169.4	-177.1	-177.1	-2.7	109.9	T599 K600 K601 T624 E655	T599-R603 CarbonylContact C-O 3.57Å; T599-R603 VanDerWaalsContact CA-O 3.32Å; T599-R603 WeakPolarHBondContact CA-O 3.43Å; K600-R603 PolarHBondContact N-O 3.06Å; K600-R603 PolarHBondContact O-N 3.46Å; K600-R603 VanDerWaalsContact O-N 3.11Å; K601-R603 VanDerWaalsContact C-N 3.27Å; K601-R603 PolarHBondContact O-N 3.22Å; R603-T624 HydrophobicContact CB-CG2 3.65Å; R603-T624 HydrophobicContact CG-CG2 4.27Å; R603-E655 IonicContact CZ-OE2 3.69Å; R603-E655 IonicContact NH1-OE1 3.61Å; R603-E655 PolarHBondContact NH1-OE1 3.48Å; R603-E655 IonicContact NH1-OE2 3.71Å; R603-E655 PolarHBondContact NH1-OE2 3.24Å
604	V	90.3	Very high	88.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122	176.4	175.8	0	0	0	0	109.6	V597 T624 I625 I633 C639	V597-V604 HydrophobicContact CB-CG1 3.67Å; V597-V604 HydrophobicContact CG1-CG1 4.04Å; V597-V604 HydrophobicContact CG2-CG1 3.98Å; V604-T624 CarbonylContact O-C 3.51Å; V604-T624 WeakPolarHBondContact O-CA 3.45Å; V604-I625 HydrophobicContact CG1-CD1 4.32Å; V604-I625 PolarHBondContact O-N 2.95Å; V604-I633 HydrophobicContact CB-CG2 3.76Å; V604-I633 HydrophobicContact CG1-CG2 4.38Å; V604-I633 HydrophobicContact CG2-CG2 3.53Å; V604-C639 HydrophobicContact CG1-CB 4.16Å
605	V	91.9	Very high	88.5	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139	-172.8	-174.7	0	0	0	0	110.2	V597 K598 K600 T607 D622 D623	V597-V605 CarbonylContact C-O 3.6Å; V597-V605 VanDerWaalsContact CA-O 3.29Å; V597-V605 WeakPolarHBondContact CA-O 3.46Å; K598-V605 PolarHBondContact N-O 3.41Å; K598-V605 PolarHBondContact O-N 3.47Å; K600-V605 HydrophobicContact CB-CG2 3.97Å; K600-V605 HydrophobicContact CD-CG2 4.26Å; V605-T607 PolarHBondContact O-N 3.43Å; V605-D622 HydrophobicContact CG1-CB 4.42Å; V605-D623 CarbonylContact C-O 3.56Å; V605-D623 WeakPolarHBondContact CA-O 3.43Å
606	V	91.9	Very high	88.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.5	174.6	-179	0	0	0	0	109.4	L595 V597 I609 F619 R620 D622 D623 I625	L595-V606 HydrophobicContact CD1-CB 4.48Å; L595-V606 HydrophobicContact CD1-CG1 3.71Å; L595-V606 HydrophobicContact CD1-CG2 3.92Å; L595-V606 HydrophobicContact CD2-CG2 4.39Å; L595-V606 HydrophobicContact CG-CG2 4.42Å; V597-V606 HydrophobicContact CG1-CG2 4.32Å; V606-I609 HydrophobicContact CG1-CD1 3.98Å; V606-I609 HydrophobicContact CG1-CG1 3.67Å; V606-F619 HydrophobicContact CG2-CB 4.46Å; V606-F619 HydrophobicContact CG2-CD1 3.9Å; V606-F619 HydrophobicContact CG2-CG 4.45Å; V606-R620 WeakPolarHBondContact CB-O 3.38Å; V606-R620 WeakPolarHBondContact CG1-O 3.4Å; V606-D622 PolarHBondContact O-N 3.32Å; V606-D623 HydrophobicContact CB-CB 4.21Å; V606-D623 HydrophobicContact CG2-CB 3.95Å; V606-D623 PolarHBondContact N-O 3.3Å; V606-I625 HydrophobicContact CG2-CD1 4.25Å; V606-I625 HydrophobicContact CG2-CG1 4.29Å
607	T	92.8	Very high	88.1	Confident	50 Å²	50	72.3 Å²	72.3	31%	0.307	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-13.8	-174.2	61.5	0	0	0	0	114.3	G596 K598 V605	G596-T607 WeakPolarHBondContact O-CA 3.29Å; G596-T607 PolarHBondContact O-N 2.98Å; G596-T607 PolarHBondContact O-OG1 3.08Å; K598-T607 HydrophobicContact CB-CG2 3.85Å; K598-T607 HydrophobicContact CD-CG2 3.97Å; K598-T607 HydrophobicContact CG-CG2 3.85Å; V605-T607 PolarHBondContact O-N 3.43Å
608	S	91.4	Very high	87.7	Confident	63 Å²	63	74.1 Å²	74.1	44%	0.441	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	149.5	169.9	51.8	0	0	0	0	109.1	G596	G596-S608 WeakPolarHBondContact CA-O 3.46Å; G596-S608 PolarHBondContact N-O 3.41Å; G596-S608 PolarHBondContact O-N 2.89Å
609	I	90.8	Very high	87.6	Confident	44 Å²	44	68.2 Å²	68.2	23%	0.226	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.3	174.9	-58	175.5	0	0	0	106	L595 V606 A616 F619	L595-I609 HydrophobicContact CD1-CG1 4.36Å; V606-I609 HydrophobicContact CG1-CD1 3.98Å; V606-I609 HydrophobicContact CG1-CG1 3.67Å; I609-A616 HydrophobicContact CG2-CB 4.15Å; I609-F619 VanDerWaalsContact CD1-C 3.43Å; I609-F619 HydrophobicContact CD1-CB 3.75Å; I609-F619 VanDerWaalsContact CD1-O 3.26Å; I609-F619 WeakPolarHBondContact CD1-O 3.38Å
610	R	89	Confident	87.5	Confident	164 Å²	164	71.3 Å²	71.3	62%	0.619	35%	0.35	S	S	*	.			trans	-79.6	133.8	177.1	-170.6	-179.9	179.2	171.2	0.3	109.9	G594 S613	G594-R610 PolarHBondContact O-N 3.44Å; R610-S613 WeakPolarHBondContact O-CB 3.46Å; R610-S613 PolarHBondContact O-N 3.37Å; R610-S613 PolarHBondContact O-OG 3.02Å
611	E	85.3	Confident	87.7	Confident	171 Å²	171	70.8 Å²	70.8	80%	0.799	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	147.2	170.2	-65.6	174.8	-179.7	0	0	110.8	S613	E611-S613 PolarHBondContact O-N 3.2Å
612	N	85.8	Confident	87.9	Confident	139 Å²	139	64.9 Å²	64.9	74%	0.743	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.7	-174.3	-58.2	-27.8	0	0	0	114.3
613	S	89.1	Confident	88.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-108.7	161	172.3	74.5	0	0	0	0	112.2	P592 R610 E611 S615 A616	P592-S613 VanDerWaalsContact O-CA 3.26Å; P592-S613 WeakPolarHBondContact O-CA 3.33Å; P592-S613 WeakPolarHBondContact O-CB 3.43Å; R610-S613 WeakPolarHBondContact O-CB 3.46Å; R610-S613 PolarHBondContact O-N 3.37Å; R610-S613 PolarHBondContact O-OG 3.02Å; E611-S613 PolarHBondContact O-N 3.2Å; S613-S615 PolarHBondContact O-N 3.46Å; S613-S615 PolarHBondContact OG-N 2.77Å; S613-A616 WeakPolarHBondContact O-CB 3.33Å; S613-A616 PolarHBondContact O-N 3.27Å; S613-A616 VanDerWaalsContact O-N 3.12Å
614	V	85.7	Confident	88.5	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.5	174.3	-165.6	0	0	0	0	111.2	I584 E589 R591 P592 F593 A616 D617 Y618	I584-V614 HydrophobicContact CG2-CG1 3.8Å; E589-V614 HydrophobicContact CG-CB 4.28Å; E589-V614 HydrophobicContact CG-CG1 4.05Å; E589-V614 HydrophobicContact CG-CG2 3.28Å; R591-V614 HydrophobicContact CB-CG2 4.12Å; R591-V614 WeakPolarHBondContact O-CG2 3.32Å; P592-V614 PolarHBondContact O-N 3.01Å; P592-V614 VanDerWaalsContact O-N 3.11Å; F593-V614 HydrophobicContact CD2-CB 4.16Å; F593-V614 HydrophobicContact CD2-CG1 4.42Å; F593-V614 HydrophobicContact CD2-CG2 4.49Å; V614-A616 PolarHBondContact O-N 3.39Å; V614-D617 PolarHBondContact O-N 3.42Å; V614-Y618 HydrophobicContact CG1-CD2 4.28Å; V614-Y618 HydrophobicContact CG1-CE2 3.96Å; V614-Y618 VanDerWaalsContact O-CD2 3.31Å; V614-Y618 WeakPolarHBondContact O-CD2 3.34Å
615	S	87.7	Confident	88.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-19.6	-177.7	-65.6	0	0	0	0	114.5	F593 L595 S613 D617 Y618 F619	F593-S615 WeakPolarHBondContact CE1-OG 3.25Å; F593-S615 WeakPolarHBondContact O-CB 3.47Å; F593-S615 PolarHBondContact O-N 3.05Å; F593-S615 PolarHBondContact O-OG 3.18Å; L595-S615 WeakPolarHBondContact CB-OG 3.46Å; L595-S615 PolarHBondContact N-OG 3.23Å; S613-S615 PolarHBondContact O-N 3.46Å; S613-S615 PolarHBondContact OG-N 2.77Å; S615-D617 PolarHBondContact O-N 2.91Å; S615-Y618 PolarHBondContact O-N 3.03Å; S615-F619 PolarHBondContact O-N 3.05Å
616	A	86.3	Confident	88.1	Confident	48 Å²	48	61 Å²	61	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-23.4	176.5	0	0	0	0	0	112.8	I609 S613 V614	I609-A616 HydrophobicContact CG2-CB 4.15Å; S613-A616 WeakPolarHBondContact O-CB 3.33Å; S613-A616 PolarHBondContact O-N 3.27Å; S613-A616 VanDerWaalsContact O-N 3.12Å; V614-A616 PolarHBondContact O-N 3.39Å
617	D	85	Confident	87.8	Confident	94 Å²	94	63.9 Å²	63.9	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-87.5	-22.1	-177.3	-56.3	-6.3	0	0	0	112.6	R591 V614 S615	R591-D617 IonicContact CZ-OD2 2.77Å; R591-D617 VanDerWaalsContact NH1-CG 3.31Å; R591-D617 IonicContact NH1-OD1 2.62Å; R591-D617 PolarHBondContact NH1-OD1 3.21Å; R591-D617 VanDerWaalsContact NH1-OD1 3.11Å; R591-D617 IonicContact NH1-OD2 3.83Å; R591-D617 PolarHBondContact NH1-OD2 3.21Å; R591-D617 IonicContact NH2-OD2 2.69Å; R591-D617 PolarHBondContact NH2-OD2 3.34Å; V614-D617 PolarHBondContact O-N 3.42Å; S615-D617 PolarHBondContact O-N 2.91Å
618	Y	85.2	Confident	87.4	Confident	70 Å²	70	61.5 Å²	61.5	28%	0.275	31%	0.305	S	S	.	.	H	α-helix	trans	-115.2	-40.1	-171.8	-61	-75.1	0	0	0	113.8	F582 I584 V614 S615 R656	F582-Y618 HydrophobicContact CB-CD1 4.08Å; F582-Y618 AromaticContact CD1-CD1 3.86Å; F582-Y618 HydrophobicContact CD1-CD1 3.86Å; F582-Y618 HydrophobicContact CD2-CD1 4.44Å; F582-Y618 HydrophobicContact CE1-CD1 4.37Å; F582-Y618 VanDerWaalsContact CE2-O 3.24Å; F582-Y618 WeakPolarHBondContact CE2-O 3.19Å; F582-Y618 AromaticContact CG-CD1 3.89Å; F582-Y618 HydrophobicContact CG-CD1 3.89Å; F582-Y618 WeakPolarHBondContact CZ-O 3.27Å; I584-Y618 HydrophobicContact CB-CE2 4.4Å; I584-Y618 HydrophobicContact CD1-CD1 4.48Å; I584-Y618 HydrophobicContact CD1-CD2 3.59Å; I584-Y618 HydrophobicContact CD1-CE2 4.01Å; I584-Y618 HydrophobicContact CD1-CG 3.86Å; I584-Y618 HydrophobicContact CG1-CD1 4.24Å; I584-Y618 HydrophobicContact CG1-CD2 3.86Å; I584-Y618 HydrophobicContact CG1-CE1 4.19Å; I584-Y618 HydrophobicContact CG1-CE2 3.82Å; I584-Y618 HydrophobicContact CG1-CG 4.08Å; I584-Y618 HydrophobicContact CG2-CD2 4.49Å; I584-Y618 HydrophobicContact CG2-CE2 3.92Å; V614-Y618 HydrophobicContact CG1-CD2 4.28Å; V614-Y618 HydrophobicContact CG1-CE2 3.96Å; V614-Y618 VanDerWaalsContact O-CD2 3.31Å; V614-Y618 WeakPolarHBondContact O-CD2 3.34Å; S615-Y618 PolarHBondContact O-N 3.03Å; Y618-R656 PolarHBondContact O-NH2 2.87Å
619	F	88.8	Confident	87	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.035	30%	0.295	C	S	.	.			trans	-103.8	160.4	-171.1	-59.3	-91.3	0	0	0	112.9	I584 F593 L595 V606 I609 S615 D623 I625 I652 I654	I584-F619 HydrophobicContact CD1-CE2 4.16Å; F593-F619 HydrophobicContact CE1-CE2 4.36Å; F593-F619 HydrophobicContact CZ-CE2 4.12Å; L595-F619 HydrophobicContact CD1-CB 3.96Å; L595-F619 HydrophobicContact CD1-CD1 4.16Å; L595-F619 HydrophobicContact CD1-CD2 3.72Å; L595-F619 HydrophobicContact CD1-CE2 4.18Å; L595-F619 HydrophobicContact CD1-CG 3.69Å; L595-F619 HydrophobicContact CD2-CE1 4.19Å; L595-F619 HydrophobicContact CD2-CE2 4.22Å; L595-F619 HydrophobicContact CD2-CZ 4.02Å; V606-F619 HydrophobicContact CG2-CB 4.46Å; V606-F619 HydrophobicContact CG2-CD1 3.9Å; V606-F619 HydrophobicContact CG2-CG 4.45Å; I609-F619 VanDerWaalsContact CD1-C 3.43Å; I609-F619 HydrophobicContact CD1-CB 3.75Å; I609-F619 VanDerWaalsContact CD1-O 3.26Å; I609-F619 WeakPolarHBondContact CD1-O 3.38Å; S615-F619 PolarHBondContact O-N 3.05Å; F619-D623 WeakPolarHBondContact CA-OD2 3.39Å; F619-I625 HydrophobicContact CE1-CD1 4.28Å; F619-I625 HydrophobicContact CE1-CG1 4.3Å; F619-I652 HydrophobicContact CE1-CG2 4.27Å; F619-I652 HydrophobicContact CZ-CD1 3.85Å; F619-I652 HydrophobicContact CZ-CG2 4.21Å; F619-I654 HydrophobicContact CD1-CG2 4.12Å; F619-I654 HydrophobicContact CE1-CG2 3.74Å
620	R	87.9	Confident	86.4	Confident	126 Å²	126	64.9 Å²	64.9	48%	0.475	32%	0.318	S	S	.	.			trans	-126.2	164.3	166.4	-64.6	-176.4	-171.2	153	7.9	109.3	V606 D623 E658	V606-R620 WeakPolarHBondContact CB-O 3.38Å; V606-R620 WeakPolarHBondContact CG1-O 3.4Å; R620-D623 PolarHBondContact N-OD2 3.13Å; R620-D623 WeakPolarHBondContact O-CB 3.42Å; R620-D623 PolarHBondContact O-N 3.42Å; R620-E658 IonicContact CZ-OE1 3.66Å; R620-E658 IonicContact NH1-OE1 2.73Å; R620-E658 PolarHBondContact NH1-OE1 3Å; R620-E658 IonicContact NH2-OE1 2.84Å; R620-E658 PolarHBondContact NH2-OE1 2.99Å
621	I	88.4	Confident	86.2	Confident	111 Å²	111	59.9 Å²	59.9	57%	0.569	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	144.9	172.3	-59.3	176.6	0	0	0	109.1	D623	I621-D623 PolarHBondContact O-N 3.11Å
622	D	86.9	Confident	86.3	Confident	93 Å²	93	58.2 Å²	58.2	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	6.3	-171	-76.8	-69.2	0	0	0	116.2	K600 V605 V606 T624	K600-D622 IonicContact NZ-OD1 2.76Å; K600-D622 PolarHBondContact NZ-OD1 3.03Å; K600-D622 VanDerWaalsContact NZ-OD1 3.11Å; V605-D622 HydrophobicContact CG1-CB 4.42Å; V606-D622 PolarHBondContact O-N 3.32Å; D622-T624 PolarHBondContact O-N 3.42Å
623	D	89.1	Confident	86.3	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	27%	0.265	C	S	.	.			trans	-57	136.7	162.8	-80.2	-10.8	0	0	0	110.9	V605 V606 F619 R620 I621 I654 R656	V605-D623 CarbonylContact C-O 3.56Å; V605-D623 WeakPolarHBondContact CA-O 3.43Å; V606-D623 HydrophobicContact CB-CB 4.21Å; V606-D623 HydrophobicContact CG2-CB 3.95Å; V606-D623 PolarHBondContact N-O 3.3Å; F619-D623 WeakPolarHBondContact CA-OD2 3.39Å; R620-D623 PolarHBondContact N-OD2 3.13Å; R620-D623 WeakPolarHBondContact O-CB 3.42Å; R620-D623 PolarHBondContact O-N 3.42Å; I621-D623 PolarHBondContact O-N 3.11Å; D623-I654 HydrophobicContact CB-CD1 4.11Å; D623-I654 WeakPolarHBondContact OD2-CD1 3.13Å; D623-R656 WeakPolarHBondContact OD1-CB 3.35Å; D623-R656 VanDerWaalsContact OD1-CG 3.28Å; D623-R656 WeakPolarHBondContact OD1-CG 3.43Å; D623-R656 IonicContact OD1-CZ 2.7Å; D623-R656 IonicContact OD1-NE 2.72Å; D623-R656 PolarHBondContact OD1-NE 3.04Å; D623-R656 IonicContact OD1-NH2 3.67Å; D623-R656 IonicContact OD2-CZ 3.49Å; D623-R656 IonicContact OD2-NE 3.49Å; D623-R656 PolarHBondContact OD2-NE 3.42Å; D623-R656 IonicContact OD2-NH2 3.45Å; D623-R656 PolarHBondContact OD2-NH2 3.14Å
624	T	89.1	Confident	86.1	Confident	17 Å²	17	55.9 Å²	55.9	10%	0.104	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.4	-179.5	-65.1	0	0	0	0	111	R603 V604 D622 I654 E655	R603-T624 HydrophobicContact CB-CG2 3.65Å; R603-T624 HydrophobicContact CG-CG2 4.27Å; V604-T624 CarbonylContact O-C 3.51Å; V604-T624 WeakPolarHBondContact O-CA 3.45Å; D622-T624 PolarHBondContact O-N 3.42Å; T624-I654 CarbonylContact O-C 3.58Å; T624-I654 VanDerWaalsContact O-CA 3.24Å; T624-I654 WeakPolarHBondContact O-CA 3.49Å; T624-E655 PolarHBondContact N-O 3.49Å; T624-E655 PolarHBondContact O-N 3.49Å
625	I	89.1	Confident	86.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.5	-178.9	-51.7	175.2	0	0	0	109.2	L595 V597 V604 V606 F619 I628 I633 I652 I654	L595-I625 HydrophobicContact CD2-CD1 3.83Å; V597-I625 HydrophobicContact CG1-CD1 3.8Å; V604-I625 HydrophobicContact CG1-CD1 4.32Å; V604-I625 PolarHBondContact O-N 2.95Å; V606-I625 HydrophobicContact CG2-CD1 4.25Å; V606-I625 HydrophobicContact CG2-CG1 4.29Å; F619-I625 HydrophobicContact CE1-CD1 4.28Å; F619-I625 HydrophobicContact CE1-CG1 4.3Å; I625-I628 HydrophobicContact CG2-CD1 4.2Å; I625-I628 HydrophobicContact CG2-CG1 4.07Å; I625-I633 HydrophobicContact CG2-CB 4.43Å; I625-I633 HydrophobicContact CG2-CG1 4.18Å; I625-I633 HydrophobicContact CG2-CG2 4.49Å; I625-I652 HydrophobicContact CG2-CG2 4.13Å; I625-I654 HydrophobicContact CG1-CG2 4.21Å
626	M	84.6	Confident	86.4	Confident	71 Å²	71	61.7 Å²	61.7	35%	0.35	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-46	-175.4	-66.5	-76.9	-75.3	0	0	111.8	L579 I633 V653 E655	L579-M626 HydrophobicContact CD2-CG 4.35Å; M626-I633 PolarHBondContact O-N 3.2Å; M626-V653 HydrophobicContact CB-CG1 4.34Å; M626-V653 PolarHBondContact N-O 3.04Å; M626-E655 HydrophobicContact CG-CB 4.08Å; M626-E655 HydrophobicContact SD-CB 4.45Å
627	M	85.4	Confident	86.6	Confident	62 Å²	62	64 Å²	64	31%	0.305	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150	-177.8	-71.3	172.5	146	0	0	111.7	V631 Q632 V653	M627-V631 CarbonylContact C-O 3.54Å; M627-V631 VanDerWaalsContact CA-O 3.25Å; M627-V631 WeakPolarHBondContact CA-O 3.45Å; M627-Q632 HydrophobicContact CE-CG 3.62Å; M627-Q632 HydrophobicContact CG-CG 3.96Å; M627-V653 HydrophobicContact CB-CB 4.17Å; M627-V653 HydrophobicContact CB-CG2 4.33Å; M627-V653 PolarHBondContact N-O 2.7Å; M627-V653 PolarHBondContact O-N 2.91Å
628	I	84.9	Confident	86.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	166.8	-61.8	172.7	0	0	0	108	I625 N630 V631 I633 L642 I643 I650 D651 I652	I625-I628 HydrophobicContact CG2-CD1 4.2Å; I625-I628 HydrophobicContact CG2-CG1 4.07Å; I628-N630 VanDerWaalsContact C-N 3.28Å; I628-N630 PolarHBondContact O-N 2.68Å; I628-V631 PolarHBondContact N-O 3.4Å; I628-V631 WeakPolarHBondContact O-CA 3.45Å; I628-V631 WeakPolarHBondContact O-CB 3.47Å; I628-V631 PolarHBondContact O-N 3.06Å; I628-I633 HydrophobicContact CB-CD1 4.11Å; I628-I633 HydrophobicContact CB-CG1 4.32Å; I628-I633 HydrophobicContact CD1-CD1 4.01Å; I628-I633 HydrophobicContact CD1-CG1 4.09Å; I628-I633 HydrophobicContact CG1-CD1 4.07Å; I628-I633 HydrophobicContact CG1-CG1 3.91Å; I628-L642 HydrophobicContact CB-CB 4.45Å; I628-L642 HydrophobicContact CB-CD1 4.44Å; I628-L642 HydrophobicContact CG2-CB 4.07Å; I628-I643 HydrophobicContact CD1-CD1 3.95Å; I628-I643 HydrophobicContact CD1-CG1 3.86Å; I628-I650 HydrophobicContact CG2-CG2 3.59Å; I628-D651 CarbonylContact C-O 3.56Å; I628-D651 VanDerWaalsContact CA-O 3.31Å; I628-D651 WeakPolarHBondContact CA-O 3.27Å; I628-I652 HydrophobicContact CG1-CG1 4.28Å; I628-I652 HydrophobicContact CG1-CG2 4.2Å
629	N	83.9	Confident	86.9	Confident	44 Å²	44	59.1 Å²	59.1	24%	0.235	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	49.2	-176.8	-67.9	4.1	0	0	0	112.5	V631 Q646 I650 D651	N629-V631 PolarHBondContact O-N 2.98Å; N629-V631 VanDerWaalsContact O-N 3.07Å; N629-Q646 PolarHBondContact ND2-OE1 2.97Å; N629-I650 WeakPolarHBondContact OD1-CA 3.34Å; N629-D651 PolarHBondContact N-O 3.24Å; N629-D651 PolarHBondContact OD1-N 3.09Å
630	N	77.9	Confident	86.9	Confident	134 Å²	134	66.2 Å²	66.2	72%	0.717	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-0.2	-173.8	-60.8	-24.1	0	0	0	116.6	I628	I628-N630 VanDerWaalsContact C-N 3.28Å; I628-N630 PolarHBondContact O-N 2.68Å
631	V	85	Confident	86.9	Confident	58 Å²	58	65.1 Å²	65.1	35%	0.352	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.8	174.2	-174.3	0	0	0	0	109.9	M627 I628 N629 L642	M627-V631 CarbonylContact C-O 3.54Å; M627-V631 VanDerWaalsContact CA-O 3.25Å; M627-V631 WeakPolarHBondContact CA-O 3.45Å; I628-V631 PolarHBondContact N-O 3.4Å; I628-V631 WeakPolarHBondContact O-CA 3.45Å; I628-V631 WeakPolarHBondContact O-CB 3.47Å; I628-V631 PolarHBondContact O-N 3.06Å; N629-V631 PolarHBondContact O-N 2.98Å; N629-V631 VanDerWaalsContact O-N 3.07Å; V631-L642 HydrophobicContact CB-CD1 3.97Å; V631-L642 HydrophobicContact CG1-CD1 4Å
632	Q	86.1	Confident	86.8	Confident	136 Å²	136	61 Å²	61	64%	0.636	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.1	175.1	-77.3	-172.3	-22.7	0	0	112.6	M627 K638	M627-Q632 HydrophobicContact CE-CG 3.62Å; M627-Q632 HydrophobicContact CG-CG 3.96Å; Q632-K638 WeakPolarHBondContact O-CE 3.35Å; Q632-K638 PolarHBondContact O-NZ 3.38Å
633	I	85.4	Confident	86.7	Confident	12 Å²	12	58 Å²	58	6%	0.062	28%	0.282	C	S	.	.			trans	-106.1	110.8	-175.9	-58.3	-56.3	0	0	0	110.8	V604 I625 M626 I628 C639 L642	V604-I633 HydrophobicContact CB-CG2 3.76Å; V604-I633 HydrophobicContact CG1-CG2 4.38Å; V604-I633 HydrophobicContact CG2-CG2 3.53Å; I625-I633 HydrophobicContact CG2-CB 4.43Å; I625-I633 HydrophobicContact CG2-CG1 4.18Å; I625-I633 HydrophobicContact CG2-CG2 4.49Å; M626-I633 PolarHBondContact O-N 3.2Å; I628-I633 HydrophobicContact CB-CD1 4.11Å; I628-I633 HydrophobicContact CB-CG1 4.32Å; I628-I633 HydrophobicContact CD1-CD1 4.01Å; I628-I633 HydrophobicContact CD1-CG1 4.09Å; I628-I633 HydrophobicContact CG1-CD1 4.07Å; I628-I633 HydrophobicContact CG1-CG1 3.91Å; I633-C639 HydrophobicContact CG2-CB 3.69Å; I633-L642 HydrophobicContact CD1-CD1 3.61Å
634	D	86.6	Confident	86.4	Confident	78 Å²	78	63.7 Å²	63.7	42%	0.417	31%	0.308	S	S	.	.			trans	-104.7	-31.2	-179.2	42.2	41.8	0	0	0	112.4	K638	D634-K638 WeakPolarHBondContact OD1-CD 3.09Å; D634-K638 IonicContact OD1-NZ 2.7Å; D634-K638 IonicContact OD2-NZ 3.11Å; D634-K638 PolarHBondContact OD2-NZ 2.59Å
635	S	89.2	Confident	85.8	Confident	32 Å²	32	69.1 Å²	69.1	22%	0.224	33%	0.333	C	S	.	.			trans	-134.2	143.8	-167.7	53.1	0	0	0	0	111.3	E637 K638 C639	S635-E637 PolarHBondContact O-N 3.38Å; S635-K638 PolarHBondContact O-N 2.96Å; S635-K638 WeakPolarHBondContact OG-CB 3.35Å; S635-C639 WeakPolarHBondContact O-CB 3.46Å; S635-C639 PolarHBondContact O-N 2.94Å
636	K	90.8	Very high	85	Confident	96 Å²	96	72.6 Å²	72.6	42%	0.417	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-27.7	178.8	63.1	173.7	-170.6	-178.6	0	111.3	V597 T599 R640	V597-K636 HydrophobicContact CG2-CB 4.08Å; T599-K636 PolarHBondContact OG1-N 3.41Å; T599-K636 VanDerWaalsContact OG1-N 3.11Å; K636-R640 WeakPolarHBondContact O-CB 3.1Å; K636-R640 PolarHBondContact O-N 3.12Å
637	E	89.2	Confident	84.3	Confident	97 Å²	97	78.8 Å²	78.8	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-61.1	174.9	-70.8	69.8	-159.2	0	0	110.4	S635 C639 R640 E641	S635-E637 PolarHBondContact O-N 3.38Å; E637-C639 VanDerWaalsContact C-N 3.28Å; E637-C639 PolarHBondContact O-N 3.12Å; E637-R640 CarbonylContact O-C 3.59Å; E637-R640 WeakPolarHBondContact O-CA 3.41Å; E637-R640 WeakPolarHBondContact O-CB 3.47Å; E637-R640 PolarHBondContact O-N 3.2Å; E637-E641 WeakPolarHBondContact O-CG 3.46Å; E637-E641 PolarHBondContact O-N 3.35Å
638	K	88.3	Confident	84	Confident	60 Å²	60	76.1 Å²	76.1	26%	0.261	36%	0.363	S	S	.	.	H	α-helix	trans	-57.5	-38.2	176.9	-170.3	-173.8	-168	-169.7	0	112.6	Q632 D634 S635 E641 L642	Q632-K638 WeakPolarHBondContact O-CE 3.35Å; Q632-K638 PolarHBondContact O-NZ 3.38Å; D634-K638 WeakPolarHBondContact OD1-CD 3.09Å; D634-K638 IonicContact OD1-NZ 2.7Å; D634-K638 IonicContact OD2-NZ 3.11Å; D634-K638 PolarHBondContact OD2-NZ 2.59Å; S635-K638 PolarHBondContact O-N 2.96Å; S635-K638 WeakPolarHBondContact OG-CB 3.35Å; K638-E641 PolarHBondContact O-N 2.79Å; K638-L642 HydrophobicContact CG-CD1 4.24Å; K638-L642 WeakPolarHBondContact O-CB 3.28Å; K638-L642 WeakPolarHBondContact O-CG 3.07Å; K638-L642 PolarHBondContact O-N 3.44Å
639	C	89	Confident	83.7	Confident	1 Å²	1	80 Å²	80	1%	0.007	38%	0.382	C	S	.	.	H	α-helix	trans	-59.8	-45.7	171.7	-173.5	0	0	0	0	112	V604 I633 S635 E637 I643	V604-C639 HydrophobicContact CG1-CB 4.16Å; I633-C639 HydrophobicContact CG2-CB 3.69Å; S635-C639 WeakPolarHBondContact O-CB 3.46Å; S635-C639 PolarHBondContact O-N 2.94Å; E637-C639 VanDerWaalsContact C-N 3.28Å; E637-C639 PolarHBondContact O-N 3.12Å; C639-I643 WeakPolarHBondContact O-CD1 3.43Å; C639-I643 VanDerWaalsContact O-CG1 3.29Å; C639-I643 WeakPolarHBondContact O-CG1 3.38Å; C639-I643 PolarHBondContact O-N 2.92Å
640	R	88.4	Confident	83.6	Confident	158 Å²	158	77.9 Å²	77.9	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-69.6	-39.7	179.5	-151.7	-168.6	86.2	171	6	111.8	K636 E637 I643 Q644	K636-R640 WeakPolarHBondContact O-CB 3.1Å; K636-R640 PolarHBondContact O-N 3.12Å; E637-R640 CarbonylContact O-C 3.59Å; E637-R640 WeakPolarHBondContact O-CA 3.41Å; E637-R640 WeakPolarHBondContact O-CB 3.47Å; E637-R640 PolarHBondContact O-N 3.2Å; R640-I643 PolarHBondContact O-N 3.41Å; R640-Q644 HydrophobicContact CG-CG 4.4Å; R640-Q644 VanDerWaalsContact CZ-OE1 3.3Å; R640-Q644 VanDerWaalsContact O-CB 3.25Å; R640-Q644 WeakPolarHBondContact O-CB 3.42Å; R640-Q644 WeakPolarHBondContact O-CG 3.42Å; R640-Q644 PolarHBondContact O-N 3.16Å
641	E	87.5	Confident	83.8	Confident	102 Å²	102	72.9 Å²	72.9	48%	0.477	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-49.7	176.9	-74.1	168.9	-175.3	0	0	111.5	E637 K638 I643 Q644 Q645	E637-E641 WeakPolarHBondContact O-CG 3.46Å; E637-E641 PolarHBondContact O-N 3.35Å; K638-E641 PolarHBondContact O-N 2.79Å; E641-I643 VanDerWaalsContact C-N 3.28Å; E641-I643 PolarHBondContact O-N 3.27Å; E641-Q644 PolarHBondContact O-N 3.13Å; E641-Q644 VanDerWaalsContact O-N 3.1Å; E641-Q645 WeakPolarHBondContact O-CB 3.29Å; E641-Q645 VanDerWaalsContact O-CG 3.28Å; E641-Q645 WeakPolarHBondContact O-CG 3.49Å; E641-Q645 PolarHBondContact O-N 3.08Å
642	L	86.5	Confident	83.7	Confident	25 Å²	25	70.1 Å²	70.1	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-28.8	178.5	-71.3	168.1	0	0	0	113.2	I628 V631 I633 K638 Q646	I628-L642 HydrophobicContact CB-CB 4.45Å; I628-L642 HydrophobicContact CB-CD1 4.44Å; I628-L642 HydrophobicContact CG2-CB 4.07Å; V631-L642 HydrophobicContact CB-CD1 3.97Å; V631-L642 HydrophobicContact CG1-CD1 4Å; I633-L642 HydrophobicContact CD1-CD1 3.61Å; K638-L642 HydrophobicContact CG-CD1 4.24Å; K638-L642 WeakPolarHBondContact O-CB 3.28Å; K638-L642 WeakPolarHBondContact O-CG 3.07Å; K638-L642 PolarHBondContact O-N 3.44Å; L642-Q646 WeakPolarHBondContact O-CB 3.48Å; L642-Q646 WeakPolarHBondContact O-CG 3.48Å
643	I	85.1	Confident	83.4	Confident	29 Å²	29	65 Å²	65	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-78.9	-30.4	172.8	-65.8	168	0	0	0	111.8	F593 L595 I628 C639 R640 E641	F593-I643 HydrophobicContact CD1-CG2 3.78Å; F593-I643 HydrophobicContact CD2-CG2 4.4Å; F593-I643 HydrophobicContact CE1-CD1 3.98Å; F593-I643 HydrophobicContact CE1-CG2 3.83Å; F593-I643 HydrophobicContact CE2-CG2 4.43Å; F593-I643 HydrophobicContact CG-CG2 4.08Å; F593-I643 HydrophobicContact CZ-CD1 4.45Å; F593-I643 HydrophobicContact CZ-CG2 4.16Å; L595-I643 HydrophobicContact CD2-CD1 4.43Å; I628-I643 HydrophobicContact CD1-CD1 3.95Å; I628-I643 HydrophobicContact CD1-CG1 3.86Å; C639-I643 WeakPolarHBondContact O-CD1 3.43Å; C639-I643 VanDerWaalsContact O-CG1 3.29Å; C639-I643 WeakPolarHBondContact O-CG1 3.38Å; C639-I643 PolarHBondContact O-N 2.92Å; R640-I643 PolarHBondContact O-N 3.41Å; E641-I643 VanDerWaalsContact C-N 3.28Å; E641-I643 PolarHBondContact O-N 3.27Å
644	Q	82.4	Confident	83.4	Confident	123 Å²	123	64.5 Å²	64.5	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-87	-28.1	-177.4	-74.6	-177.4	-35.1	0	0	114.3	R640 E641	R640-Q644 HydrophobicContact CG-CG 4.4Å; R640-Q644 VanDerWaalsContact CZ-OE1 3.3Å; R640-Q644 VanDerWaalsContact O-CB 3.25Å; R640-Q644 WeakPolarHBondContact O-CB 3.42Å; R640-Q644 WeakPolarHBondContact O-CG 3.42Å; R640-Q644 PolarHBondContact O-N 3.16Å; E641-Q644 PolarHBondContact O-N 3.13Å; E641-Q644 VanDerWaalsContact O-N 3.1Å
645	Q	77.5	Confident	83.3	Confident	132 Å²	132	61.7 Å²	61.7	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-83.3	-26.2	-179.8	-69.6	172	4.1	0	0	113.1	E641	E641-Q645 WeakPolarHBondContact O-CB 3.29Å; E641-Q645 VanDerWaalsContact O-CG 3.28Å; E641-Q645 WeakPolarHBondContact O-CG 3.49Å; E641-Q645 PolarHBondContact O-N 3.08Å
646	Q	70.7	Confident	83	Confident	75 Å²	75	61 Å²	61	35%	0.35	28%	0.28	S	S	.	.			trans	-90.3	112.6	-168.9	-64.3	-67.2	-41	0	0	112.5	N629 L642 I650	N629-Q646 PolarHBondContact ND2-OE1 2.97Å; L642-Q646 WeakPolarHBondContact O-CB 3.48Å; L642-Q646 WeakPolarHBondContact O-CG 3.48Å; Q646-I650 HydrophobicContact CB-CD1 4.26Å; Q646-I650 HydrophobicContact CB-CG1 4.14Å
647	K	69.9	Low	82.3	Confident	200 Å²	200	60.9 Å²	60.9	87%	0.87	28%	0.281	S	S	*	.			trans	-93.3	137	160.2	-65.3	-179.9	179	179.9	0	108.4
648	G	79.2	Confident	81.3	Confident	7 Å²	7	59.2 Å²	59.2	7%	0.072	27%	0.273	C	S	.	.	S	Bend	trans	122.7	-130.2	177.5	0	0	0	0	0	113	T586 E587	T586-G648 PolarHBondContact N-O 3.46Å; T586-G648 PolarHBondContact OG1-N 2.99Å; T586-G648 PolarHBondContact OG1-O 3.49Å; T586-G648 VanDerWaalsContact OG1-O 3.1Å; E587-G648 WeakPolarHBondContact OE1-CA 3.26Å
649	I	80	Confident	79.7	Confident	80 Å²	80	62.1 Å²	62.1	41%	0.41	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.6	177.2	-47.4	-170.7	0	0	0	108.9	K583 I584 R585	K583-I649 HydrophobicContact CB-CG2 3.79Å; K583-I649 HydrophobicContact CD-CG2 4.3Å; K583-I649 HydrophobicContact CG-CG2 4.16Å; I584-I649 WeakPolarHBondContact O-CA 3.42Å; R585-I649 HydrophobicContact CG-CD1 4.39Å; R585-I649 HydrophobicContact CG-CG1 4.19Å
650	I	81.4	Confident	77.7	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.7	171.7	-48.5	-177.6	0	0	0	108.1	K583 I584 T586 I628 N629 Q646 I652	K583-I650 CarbonylContact C-O 3.53Å; K583-I650 WeakPolarHBondContact CA-O 3.47Å; I584-I650 PolarHBondContact N-O 3.24Å; I584-I650 PolarHBondContact O-N 3.29Å; T586-I650 HydrophobicContact CG2-CD1 3.67Å; T586-I650 HydrophobicContact CG2-CG1 4.01Å; I628-I650 HydrophobicContact CG2-CG2 3.59Å; N629-I650 WeakPolarHBondContact OD1-CA 3.34Å; Q646-I650 HydrophobicContact CB-CD1 4.26Å; Q646-I650 HydrophobicContact CB-CG1 4.14Å; I650-I652 HydrophobicContact CB-CG1 4.47Å; I650-I652 HydrophobicContact CG2-CD1 3.85Å; I650-I652 HydrophobicContact CG2-CG1 3.64Å
651	D	81.9	Confident	75.3	Confident	28 Å²	28	67.5 Å²	67.5	15%	0.15	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117	174.4	-167.4	-34.4	0	0	0	108.7	N581 F582 K583 I628 N629	N581-D651 PolarHBondContact ND2-OD1 3.23Å; F582-D651 CarbonylContact O-C 3.58Å; F582-D651 WeakPolarHBondContact O-CA 3.39Å; K583-D651 WeakPolarHBondContact CE-OD2 2.94Å; K583-D651 HydrophobicContact CG-CB 4.21Å; K583-D651 IonicContact NZ-OD2 3.2Å; I628-D651 CarbonylContact C-O 3.56Å; I628-D651 VanDerWaalsContact CA-O 3.31Å; I628-D651 WeakPolarHBondContact CA-O 3.27Å; N629-D651 PolarHBondContact N-O 3.24Å; N629-D651 PolarHBondContact OD1-N 3.09Å
652	I	82.5	Confident	72.9	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.6	-173.3	-51.4	-176.1	0	0	0	109.7	N581 F582 I584 F593 F619 I625 I628 I650 I654	N581-I652 CarbonylContact C-O 3.56Å; N581-I652 WeakPolarHBondContact CA-O 3.39Å; F582-I652 PolarHBondContact N-O 3.2Å; F582-I652 PolarHBondContact O-N 3.18Å; I584-I652 HydrophobicContact CD1-CD1 3.91Å; F593-I652 HydrophobicContact CZ-CD1 4.31Å; F619-I652 HydrophobicContact CE1-CG2 4.27Å; F619-I652 HydrophobicContact CZ-CD1 3.85Å; F619-I652 HydrophobicContact CZ-CG2 4.21Å; I625-I652 HydrophobicContact CG2-CG2 4.13Å; I628-I652 HydrophobicContact CG1-CG1 4.28Å; I628-I652 HydrophobicContact CG1-CG2 4.2Å; I650-I652 HydrophobicContact CB-CG1 4.47Å; I650-I652 HydrophobicContact CG2-CD1 3.85Å; I650-I652 HydrophobicContact CG2-CG1 3.64Å; I652-I654 HydrophobicContact CG2-CG2 4.01Å
653	V	80.5	Confident	70.5	Confident	30 Å²	30	71.2 Å²	71.2	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124	171.2	-176.5	0	0	0	0	109.4	L579 L580 M626 M627	L579-V653 HydrophobicContact CD2-CG1 4.32Å; L580-V653 WeakPolarHBondContact O-CA 3.49Å; M626-V653 HydrophobicContact CB-CG1 4.34Å; M626-V653 PolarHBondContact N-O 3.04Å; M627-V653 HydrophobicContact CB-CB 4.17Å; M627-V653 HydrophobicContact CB-CG2 4.33Å; M627-V653 PolarHBondContact N-O 2.7Å; M627-V653 PolarHBondContact O-N 2.91Å
654	I	85.9	Confident	68	Low	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.5	173.9	66.7	162.4	0	0	0	111.9	L579 L580 F582 F619 D623 T624 I625 I652	L579-I654 CarbonylContact C-O 3.53Å; L579-I654 VanDerWaalsContact CA-O 3.28Å; L579-I654 WeakPolarHBondContact CA-O 3.35Å; L580-I654 HydrophobicContact CB-CD1 4.33Å; L580-I654 HydrophobicContact CB-CG1 3.81Å; L580-I654 HydrophobicContact CD1-CD1 4.2Å; L580-I654 HydrophobicContact CD1-CG1 4.5Å; L580-I654 PolarHBondContact N-O 2.86Å; L580-I654 PolarHBondContact O-N 3.2Å; F582-I654 HydrophobicContact CE2-CD1 3.74Å; F582-I654 HydrophobicContact CE2-CG1 4.05Å; F619-I654 HydrophobicContact CD1-CG2 4.12Å; F619-I654 HydrophobicContact CE1-CG2 3.74Å; D623-I654 HydrophobicContact CB-CD1 4.11Å; D623-I654 WeakPolarHBondContact OD2-CD1 3.13Å; T624-I654 CarbonylContact O-C 3.58Å; T624-I654 VanDerWaalsContact O-CA 3.24Å; T624-I654 WeakPolarHBondContact O-CA 3.49Å; I625-I654 HydrophobicContact CG1-CG2 4.21Å; I652-I654 HydrophobicContact CG2-CG2 4.01Å
655	E	83.9	Confident	65.6	Low	19 Å²	19	77 Å²	77	9%	0.089	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.9	164.8	173.8	-164	-161.4	0	0	107.9	K577 L579 R603 T624 M626	K577-E655 WeakPolarHBondContact CD-OE1 3.22Å; K577-E655 WeakPolarHBondContact CE-OE1 3.47Å; K577-E655 IonicContact NZ-OE1 2.72Å; K577-E655 PolarHBondContact NZ-OE1 3.48Å; L579-E655 HydrophobicContact CD2-CB 3.95Å; R603-E655 IonicContact CZ-OE2 3.69Å; R603-E655 IonicContact NH1-OE1 3.61Å; R603-E655 PolarHBondContact NH1-OE1 3.48Å; R603-E655 IonicContact NH1-OE2 3.71Å; R603-E655 PolarHBondContact NH1-OE2 3.24Å; T624-E655 PolarHBondContact N-O 3.49Å; T624-E655 PolarHBondContact O-N 3.49Å; M626-E655 HydrophobicContact CG-CB 4.08Å; M626-E655 HydrophobicContact SD-CB 4.45Å
656	R	82.6	Confident	63.4	Low	18 Å²	18	73.3 Å²	73.3	7%	0.068	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.9	177.2	177.6	172.4	-69.9	161.8	5.3	109.9	K577 V578 L580 Y618 D623 E658	K577-R656 CarbonylContact C-O 3.59Å; K577-R656 WeakPolarHBondContact CA-O 3.3Å; V578-R656 PolarHBondContact N-O 2.93Å; V578-R656 PolarHBondContact O-N 2.83Å; L580-R656 HydrophobicContact CD1-CB 4.19Å; Y618-R656 PolarHBondContact O-NH2 2.87Å; D623-R656 WeakPolarHBondContact OD1-CB 3.35Å; D623-R656 VanDerWaalsContact OD1-CG 3.28Å; D623-R656 WeakPolarHBondContact OD1-CG 3.43Å; D623-R656 IonicContact OD1-CZ 2.7Å; D623-R656 IonicContact OD1-NE 2.72Å; D623-R656 PolarHBondContact OD1-NE 3.04Å; D623-R656 IonicContact OD1-NH2 3.67Å; D623-R656 IonicContact OD2-CZ 3.49Å; D623-R656 IonicContact OD2-NE 3.49Å; D623-R656 PolarHBondContact OD2-NE 3.42Å; D623-R656 IonicContact OD2-NH2 3.45Å; D623-R656 PolarHBondContact OD2-NH2 3.14Å; R656-E658 HydrophobicContact CG-CG 3.91Å
657	E	76.1	Confident	61.6	Low	93 Å²	93	78.2 Å²	78.2	44%	0.435	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.1	165.1	-75.2	-178.9	-158.6	0	0	109	K575 R576 K577	K575-E657 IonicContact NZ-OE2 2.59Å; R576-E657 WeakPolarHBondContact O-CA 3.39Å; K577-E657 VanDerWaalsContact CE-OE1 3.25Å; K577-E657 WeakPolarHBondContact CE-OE1 3.47Å; K577-E657 HydrophobicContact CG-CG 3.8Å; K577-E657 IonicContact NZ-OE1 3.95Å; K577-E657 PolarHBondContact NZ-OE1 3.27Å
658	E	67.9	Low	59.9	Low	62 Å²	62	69.9 Å²	69.9	29%	0.29	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.1	172.8	-63.3	-156.6	125.6	0	0	110.5	R576 R620 R656	R576-E658 PolarHBondContact N-O 3.47Å; R576-E658 VanDerWaalsContact N-O 3.09Å; R576-E658 PolarHBondContact O-N 3.47Å; R620-E658 IonicContact CZ-OE1 3.66Å; R620-E658 IonicContact NH1-OE1 2.73Å; R620-E658 PolarHBondContact NH1-OE1 3Å; R620-E658 IonicContact NH2-OE1 2.84Å; R620-E658 PolarHBondContact NH2-OE1 2.99Å; R656-E658 HydrophobicContact CG-CG 3.91Å
659	E	54.6	Low	57.7	Low	121 Å²	121	74.9 Å²	74.9	57%	0.565	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	89.5	172.9	-68.8	-173.2	173.6	0	0	109.3	K575 R661	K575-E659 WeakPolarHBondContact CE-OE1 3.5Å; K575-E659 HydrophobicContact CG-CG 4.16Å; K575-E659 IonicContact NZ-OE1 3.79Å; K575-E659 PolarHBondContact NZ-OE1 3.08Å; E659-R661 PolarHBondContact O-N 3.21Å
660	T	47.2	Very low	55.7	Low	72 Å²	72	72.5 Å²	72.5	44%	0.442	36%	0.363	S	S	.	.			trans	-73.6	110.3	172.7	49.6	0	0	0	0	109.8	I662	T660-I662 PolarHBondContact O-N 3.1Å
661	R	37.8	Very low	53.3	Low	201 Å²	201	81 Å²	81	76%	0.758	40%	0.395	S	S	*	.			trans	-65.3	110.1	155.2	-88	-172.7	173.1	-168.6	-1	107.6	F573 E659	F573-R661 HydrophobicContact CE1-CG 4.17Å; E659-R661 PolarHBondContact O-N 3.21Å
662	I	37.8	Very low	51.2	Low	70 Å²	70	80.6 Å²	80.6	36%	0.359	39%	0.392	S	S	.	.			trans	-89.5	109	169.2	-56.1	172.3	0	0	0	106.2	L565 V567 T660 S666	L565-I662 HydrophobicContact CD1-CD1 4.26Å; V567-I662 HydrophobicContact CG2-CD1 4.19Å; V567-I662 HydrophobicContact CG2-CG2 4.2Å; T660-I662 PolarHBondContact O-N 3.1Å; I662-S666 WeakPolarHBondContact CG2-OG 3.33Å
663	E	34.7	Very low	48.8	Very low	134 Å²	134	84.8 Å²	84.8	63%	0.626	41%	0.414	S	S	*	.			trans	-75.8	147.5	162	-67	-171.3	167.3	0	0	108.1	D665 S666	E663-D665 PolarHBondContact O-N 3.42Å; E663-S666 PolarHBondContact N-OG 3.11Å; E663-S666 VanDerWaalsContact N-OG 3.09Å; E663-S666 VanDerWaalsContact O-CB 3.31Å; E663-S666 WeakPolarHBondContact O-CB 3.33Å; E663-S666 PolarHBondContact O-N 2.9Å; E663-S666 PolarHBondContact O-OG 3.25Å
664	P	34.3	Very low	46.6	Very low	128 Å²	128	84.2 Å²	84.2	83%	0.831	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.3	-163.8	22.2	-33.6	0	0	0	116
665	D	31.9	Very low	44.1	Very low	147 Å²	147	90.9 Å²	90.9	79%	0.786	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	21.9	174.2	-62.8	-73.1	0	0	0	112.7	E663	E663-D665 PolarHBondContact O-N 3.42Å
666	S	29.8	Very low	41.6	Very low	53 Å²	53	90.7 Å²	90.7	37%	0.371	43%	0.434	S	S	.	.			trans	-83.5	120.4	-171.3	57.9	0	0	0	0	114.8	I662 E663	I662-S666 WeakPolarHBondContact CG2-OG 3.33Å; E663-S666 PolarHBondContact N-OG 3.11Å; E663-S666 VanDerWaalsContact N-OG 3.09Å; E663-S666 VanDerWaalsContact O-CB 3.31Å; E663-S666 WeakPolarHBondContact O-CB 3.33Å; E663-S666 PolarHBondContact O-N 2.9Å; E663-S666 PolarHBondContact O-OG 3.25Å
667	Y	33.1	Very low	39	Very low	178 Å²	178	96.4 Å²	96.4	70%	0.698	47%	0.465	S	S	*	.			trans	-73.8	122.9	177.6	-64.6	-97.3	0	0	0	112.1	E562	E562-Y667 HydrophobicContact CG-CD1 4.5Å
668	G	35.1	Very low	36.9	Very low	26 Å²	26	101.3 Å²	101.3	27%	0.268	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	102.7	171.2	0	0	0	0	0	112.5	R563 V670	R563-G668 PolarHBondContact N-O 3.44Å; G668-V670 PolarHBondContact O-N 2.66Å
669	E	32.4	Very low	35.3	Very low	112 Å²	112	103.3 Å²	103.3	52%	0.523	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.3	163.5	-173.7	-172.9	-174.3	0	0	109.1	T560 R671	T560-E669 HydrophobicContact CG2-CG 3.82Å; E669-R671 VanDerWaalsContact CD-NH2 3.26Å; E669-R671 HydrophobicContact CG-CG 4.48Å; E669-R671 IonicContact OE1-CZ 2.69Å; E669-R671 IonicContact OE1-NE 3.11Å; E669-R671 PolarHBondContact OE1-NE 3.12Å; E669-R671 IonicContact OE1-NH2 2.8Å; E669-R671 PolarHBondContact OE1-NH2 3.44Å; E669-R671 IonicContact OE2-CZ 3.52Å; E669-R671 IonicContact OE2-NE 2.62Å; E669-R671 IonicContact OE2-NH2 2.86Å; E669-R671 PolarHBondContact OE2-NH2 3.28Å
670	V	37.6	Very low	34.3	Very low	29 Å²	29	102.3 Å²	102.3	18%	0.176	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.6	173.4	-163.1	0	0	0	0	110	T560 V561 G668 F672	T560-V670 WeakPolarHBondContact CA-O 3.27Å; V561-V670 HydrophobicContact CG2-CB 4.02Å; V561-V670 PolarHBondContact N-O 3.15Å; V561-V670 PolarHBondContact O-N 2.86Å; G668-V670 PolarHBondContact O-N 2.66Å; V670-F672 HydrophobicContact CB-CE2 4.34Å; V670-F672 HydrophobicContact CB-CZ 4.1Å; V670-F672 HydrophobicContact CG1-CD1 4.21Å; V670-F672 HydrophobicContact CG1-CE1 3.46Å; V670-F672 VanDerWaalsContact CG1-CE1 3.46Å; V670-F672 HydrophobicContact CG1-CE2 3.96Å; V670-F672 HydrophobicContact CG1-CZ 3.31Å
671	R	31.6	Very low	33.6	Very low	179 Å²	179	104 Å²	104	68%	0.675	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.3	175.6	-64.8	-178.3	-174.1	159.7	12	110	T560 E669	T560-R671 HydrophobicContact CG2-CG 3.92Å; E669-R671 VanDerWaalsContact CD-NH2 3.26Å; E669-R671 HydrophobicContact CG-CG 4.48Å; E669-R671 IonicContact OE1-CZ 2.69Å; E669-R671 IonicContact OE1-NE 3.11Å; E669-R671 PolarHBondContact OE1-NE 3.12Å; E669-R671 IonicContact OE1-NH2 2.8Å; E669-R671 PolarHBondContact OE1-NH2 3.44Å; E669-R671 IonicContact OE2-CZ 3.52Å; E669-R671 IonicContact OE2-NE 2.62Å; E669-R671 IonicContact OE2-NH2 2.86Å; E669-R671 PolarHBondContact OE2-NH2 3.28Å
672	F	38	Very low	33.3	Very low	21 Å²	21	98.3 Å²	98.3	9%	0.092	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.4	172.8	-55.9	-59.8	0	0	0	110	Y525 F526 D558 V559 V561 V670	Y525-F672 AromaticContact CD1-CD1 3.87Å; Y525-F672 HydrophobicContact CD1-CD1 3.87Å; Y525-F672 AromaticContact CD1-CE1 3.41Å; Y525-F672 HydrophobicContact CD1-CE1 3.41Å; Y525-F672 VanDerWaalsContact CD1-CE1 3.41Å; Y525-F672 HydrophobicContact CD1-CZ 4.1Å; Y525-F672 HydrophobicContact CD2-CD1 4.22Å; Y525-F672 HydrophobicContact CE1-CE1 4.34Å; Y525-F672 AromaticContact CG-CD1 3.68Å; Y525-F672 HydrophobicContact CG-CD1 3.68Å; Y525-F672 AromaticContact CG-CE1 3.58Å; Y525-F672 HydrophobicContact CG-CE1 3.58Å; Y525-F672 HydrophobicContact CG-CG 4.31Å; Y525-F672 HydrophobicContact CG-CZ 4.12Å; Y525-F672 WeakPolarHBondContact O-CE2 3.34Å; Y525-F672 WeakPolarHBondContact O-CZ 3.26Å; F526-F672 HydrophobicContact CD1-CD2 4.46Å; F526-F672 HydrophobicContact CD1-CE2 4.25Å; F526-F672 AromaticContact CE1-CD2 3.76Å; F526-F672 HydrophobicContact CE1-CD2 3.76Å; F526-F672 AromaticContact CE1-CE2 3.99Å; F526-F672 HydrophobicContact CE1-CE2 3.99Å; F526-F672 HydrophobicContact CZ-CD2 4.23Å; D558-F672 CarbonylContact C-O 3.47Å; D558-F672 WeakPolarHBondContact CA-O 3.23Å; V559-F672 HydrophobicContact CB-CB 4.43Å; V559-F672 PolarHBondContact N-O 3.3Å; V559-F672 PolarHBondContact O-N 2.58Å; V559-F672 VanDerWaalsContact O-O 3.09Å; V561-F672 HydrophobicContact CG2-CD2 4.23Å; V561-F672 HydrophobicContact CG2-CE2 3.6Å; V561-F672 HydrophobicContact CG2-CZ 4.5Å; V670-F672 HydrophobicContact CB-CE2 4.34Å; V670-F672 HydrophobicContact CB-CZ 4.1Å; V670-F672 HydrophobicContact CG1-CD1 4.21Å; V670-F672 HydrophobicContact CG1-CE1 3.46Å; V670-F672 VanDerWaalsContact CG1-CE1 3.46Å; V670-F672 HydrophobicContact CG1-CE2 3.96Å; V670-F672 HydrophobicContact CG1-CZ 3.31Å
673	L	31.2	Very low	33.1	Very low	87 Å²	87	100.1 Å²	100.1	46%	0.455	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	93.7	-179.1	-174	147.9	0	0	0	107.1	M523 D558 R675	M523-L673 WeakPolarHBondContact CE-O 3.5Å; D558-L673 VanDerWaalsContact OD1-CD1 3.29Å; D558-L673 WeakPolarHBondContact OD1-CD1 3.39Å; D558-L673 VanDerWaalsContact OD1-CG 3.31Å; D558-L673 WeakPolarHBondContact OD1-CG 3.2Å; L673-R675 HydrophobicContact CD2-CG 3.73Å; L673-R675 PolarHBondContact O-N 3.02Å; L673-R675 VanDerWaalsContact O-N 3.09Å
674	L	35.8	Very low	32.9	Very low	18 Å²	18	97.8 Å²	97.8	9%	0.094	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	101.6	171.5	-90.7	74.3	0	0	0	107.6	I492 M523 A556 I557 V559 I676	I492-L674 HydrophobicContact CD1-CD2 4.15Å; M523-L674 HydrophobicContact CE-CD1 4Å; M523-L674 HydrophobicContact CE-CG 4.11Å; M523-L674 HydrophobicContact SD-CB 4.48Å; M523-L674 HydrophobicContact SD-CD1 3.38Å; M523-L674 WeakPolarHBondContact SD-CD1 3.17Å; M523-L674 HydrophobicContact SD-CG 3.51Å; M523-L674 VanDerWaalsContact SD-CG 3.51Å; A556-L674 CarbonylContact C-O 3.53Å; A556-L674 WeakPolarHBondContact CA-O 3.4Å; A556-L674 WeakPolarHBondContact CB-O 3.43Å; I557-L674 HydrophobicContact CB-CB 4.08Å; I557-L674 PolarHBondContact N-O 2.81Å; I557-L674 WeakPolarHBondContact O-CB 3.29Å; I557-L674 PolarHBondContact O-N 3.41Å; V559-L674 HydrophobicContact CG2-CD1 3.77Å; L674-I676 PolarHBondContact O-N 3.23Å
675	R	32.6	Very low	32.8	Very low	141 Å²	141	95.6 Å²	95.6	53%	0.532	47%	0.465	S	S	.	.			trans	-74.6	108	154.8	-78.7	179.6	-168.8	149.6	9.1	107.9	A556 L673	A556-R675 HydrophobicContact CB-CG 4.36Å; L673-R675 HydrophobicContact CD2-CG 3.73Å; L673-R675 PolarHBondContact O-N 3.02Å; L673-R675 VanDerWaalsContact O-N 3.09Å
676	I	32.1	Very low	32.9	Very low	14 Å²	14	91.7 Å²	91.7	7%	0.072	44%	0.441	C	S	.	.			trans	-59.2	132.6	145.5	-51	178.6	0	0	0	105.2	K555 L674	K555-I676 WeakPolarHBondContact O-CD1 3.47Å; L674-I676 PolarHBondContact O-N 3.23Å
677	L	28.5	Very low	33.2	Very low	138 Å²	138	94.9 Å²	94.9	72%	0.723	45%	0.446	S	S	*	.			trans	-83.7	130	170.9	-66.5	171	0	0	0	107.2
678	D	30.2	Very low	33.2	Very low	196 Å²	196	87.4 Å²	87.4	100%	1.048	42%	0.424	S	S	*	.			trans	-73	0	167.7	-55.9	-55.5	0	0	0	110

Retrieved 678 of 678 residues in 171.2 ms (Link to these results)

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