A0A077YXX5_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077YXX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 757 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	34.6	Very low	27.9	Very low	246 Å²	246	153.2 Å²	153.2	100%	1.212	85%	0.852	S	S	*	*				0	129.8	0	-86.8	170.8	148.2	0	0	106.9
2	S	27.6	Very low	27.7	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	85%	0.848	S	S	*	*			trans	-53.7	134.8	-178.7	47.3	0	0	0	0	113.1
3	C	29.4	Very low	27.4	Very low	138 Å²	138	153.3 Å²	153.3	93%	0.932	85%	0.847	S	S	*	*			trans	-121.6	90.3	143.4	-74.8	0	0	0	0	106.2
4	S	24	Very low	27.3	Very low	95 Å²	95	149.2 Å²	149.2	66%	0.664	84%	0.835	S	S	*	*			trans	-87.9	159.4	156.3	-60.7	0	0	0	0	107.6
5	D	29.3	Very low	27.1	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	84%	0.837	S	S	*	*			trans	95	91.5	165.9	-48.5	-22.7	0	0	0	115.4
6	D	31.9	Very low	27	Very low	150 Å²	150	150.6 Å²	150.6	80%	0.802	83%	0.83	S	S	*	*				-171.1	80.5	110.1	-91.7	-28.5	0	0	0	110.6	N8	D6-N8 PolarHBondContact O-N 3.23Å
7	L	26.3	Very low	27	Very low	173 Å²	173	148.4 Å²	148.4	91%	0.906	82%	0.824	S	S	*	*			trans	-77	89	156.2	-77.7	166.5	0	0	0	107.5
8	N	24	Very low	26.8	Very low	140 Å²	140	150.9 Å²	150.9	75%	0.749	83%	0.825	S	S	*	*			trans	-153.1	53.4	168.6	-99.8	-32.9	0	0	0	111.2	D6 K10	D6-N8 PolarHBondContact O-N 3.23Å; N8-K10 PolarHBondContact O-N 3.26Å
9	A	30.6	Very low	26.8	Very low	101 Å²	101	149.1 Å²	149.1	84%	0.835	82%	0.819	S	S	*	*			trans	-85.2	97.7	158.7	0	0	0	0	0	107.5	E11	A9-E11 PolarHBondContact O-N 2.87Å; A9-E11 VanDerWaalsContact O-N 3.09Å
10	K	25.9	Very low	26.7	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	80%	0.804	S	S	*	*			trans	-43.7	113.6	173	-74.8	171.2	173.7	173.9	0	110.4	N8 S12	N8-K10 PolarHBondContact O-N 3.26Å; K10-S12 PolarHBondContact O-N 3.33Å
11	E	23.3	Very low	26.7	Very low	191 Å²	191	141.5 Å²	141.5	89%	0.893	80%	0.801	S	S	*	*			trans	-51.6	111.5	162.8	-71.3	176.3	150	0	0	108.5	A9 K13	A9-E11 PolarHBondContact O-N 2.87Å; A9-E11 VanDerWaalsContact O-N 3.09Å; E11-K13 PolarHBondContact O-N 3.08Å
12	S	26.1	Very low	26.2	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	77%	0.77	S	S	*	*			trans	-62.7	105.3	166.4	50	0	0	0	0	107.4	K10 S14	K10-S12 PolarHBondContact O-N 3.33Å; S12-S14 PolarHBondContact O-N 2.93Å
13	K	23.7	Very low	26.1	Very low	194 Å²	194	132.8 Å²	132.8	84%	0.843	77%	0.767	S	S	*	*			trans	-41.9	115.1	165.1	-75.4	-179.3	173.2	-177.1	0	108.6	E11 Q15	E11-K13 PolarHBondContact O-N 3.08Å; K13-Q15 PolarHBondContact O-N 3.28Å
14	S	25.7	Very low	25.9	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	76%	0.757	S	S	*	*			trans	-53.5	102.4	167.9	52	0	0	0	0	108.2	S12 D16	S12-S14 PolarHBondContact O-N 2.93Å; S14-D16 PolarHBondContact O-N 3.46Å
15	Q	24.5	Very low	25.9	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	76%	0.761	S	S	*	*			trans	-71.8	119.9	162.1	-74.5	-175.8	-17.5	0	0	106.3	K13	K13-Q15 PolarHBondContact O-N 3.28Å
16	D	25.1	Very low	25.6	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	75%	0.754	S	S	*	*			trans	-49	132.8	170.5	-77.6	-54.3	0	0	0	109.9	S14 K18	S14-D16 PolarHBondContact O-N 3.46Å; D16-K18 PolarHBondContact O-N 2.94Å
17	P	26.4	Very low	25.2	Very low	113 Å²	113	135.8 Å²	135.8	73%	0.734	76%	0.76	S	S	*	*			trans	-65.3	110.1	179.7	24.9	-30.2	0	0	0	108.4	V19	P17-V19 PolarHBondContact O-N 2.78Å; P17-V19 VanDerWaalsContact O-N 3.1Å
18	K	24.9	Very low	25.2	Very low	194 Å²	194	135.6 Å²	135.6	84%	0.843	75%	0.752	S	S	*	*			trans	-47.1	119.7	169.3	-71.7	179	177.8	177.4	0	108.7	D16 G20	D16-K18 PolarHBondContact O-N 2.94Å; K18-G20 PolarHBondContact O-N 2.92Å
19	V	26.2	Very low	25.1	Very low	116 Å²	116	138.7 Å²	138.7	70%	0.703	76%	0.759	S	S	*	*			trans	-71.9	64.4	174	-173	0	0	0	0	109.6	P17	P17-V19 PolarHBondContact O-N 2.78Å; P17-V19 VanDerWaalsContact O-N 3.1Å
20	G	24.6	Very low	24.9	Very low	50 Å²	50	138.9 Å²	138.9	52%	0.515	75%	0.746	S	S	.	*	S	Bend	trans	-99.2	154.1	152.1	0	0	0	0	0	107.2	K18 G22	K18-G20 PolarHBondContact O-N 2.92Å; G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 3.32Å
21	A	27.6	Very low	24.8	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	73%	0.733	S	S	*	*			trans	-53.5	98.5	172.1	0	0	0	0	0	108.7	V23	A21-V23 PolarHBondContact O-N 3.3Å
22	G	23.3	Very low	24.7	Very low	55 Å²	55	132.6 Å²	132.6	57%	0.567	74%	0.735	S	S	*	*			trans	-72.5	93.6	-175.6	0	0	0	0	0	108.3	G20 Y24	G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 3.32Å; G22-Y24 WeakPolarHBondContact O-CD2 3.49Å; G22-Y24 PolarHBondContact O-N 3.29Å
23	V	26.1	Very low	24.6	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.685	73%	0.734	S	S	*	*			trans	-70.4	102.6	161.6	-179.8	0	0	0	0	106	A21 S25	A21-V23 PolarHBondContact O-N 3.3Å; V23-S25 PolarHBondContact O-N 3.07Å
24	Y	23.6	Very low	24.5	Very low	182 Å²	182	134 Å²	134	71%	0.714	74%	0.736	S	S	*	*			trans	-73.3	112.8	172	-67.1	-86.9	0	0	0	108.2	G22	G22-Y24 WeakPolarHBondContact O-CD2 3.49Å; G22-Y24 PolarHBondContact O-N 3.29Å
25	S	24.1	Very low	24.4	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	74%	0.742	S	S	*	*			trans	-121	88.7	160.3	80.6	0	0	0	0	108.6	V23	V23-S25 PolarHBondContact O-N 3.07Å
26	T	24.8	Very low	24.4	Very low	102 Å²	102	132.8 Å²	132.8	63%	0.626	74%	0.743	S	S	*	*			trans	-88.8	111.6	171.8	36.3	0	0	0	0	109.7	F28	T26-F28 PolarHBondContact O-N 2.82Å
27	Q	21.8	Very low	24.5	Very low	199 Å²	199	131.7 Å²	131.7	93%	0.93	74%	0.744	S	S	*	*			trans	-71.2	104.9	171.3	-73.6	-177.8	-14	0	0	109.8
28	F	26.4	Very low	24.6	Very low	169 Å²	169	134.3 Å²	134.3	74%	0.741	75%	0.752	S	S	*	*			trans	-88.5	137.7	172.4	-116.5	-91.6	0	0	0	111.5	T26	T26-F28 PolarHBondContact O-N 2.82Å
29	K	22	Very low	24.6	Very low	205 Å²	205	133.3 Å²	133.3	89%	0.891	75%	0.75	S	S	*	*			trans	-96.2	109.9	163.4	-87.1	-177.9	175	178.8	0	108.4
30	L	26	Very low	24.5	Very low	106 Å²	106	135.5 Å²	135.5	56%	0.555	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-75.4	129.3	172.5	-152.6	80.9	0	0	0	109.4	P117	L30-P117 HydrophobicContact CB-CB 3.96Å; L30-P117 HydrophobicContact CD2-CB 4.14Å
31	G	23.8	Very low	24.6	Very low	59 Å²	59	136.8 Å²	136.8	61%	0.608	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-65.9	147.5	178.6	0	0	0	0	0	113.3	L33	G31-L33 PolarHBondContact O-N 3.36Å
32	E	21.1	Very low	24.6	Very low	201 Å²	201	136 Å²	136	94%	0.939	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.2	-179.8	-64.7	-179.7	158.9	0	0	111.3
33	L	25.8	Very low	24.8	Very low	148 Å²	148	137 Å²	137	78%	0.775	76%	0.756	S	S	*	*			trans	-124.2	136.6	175.3	-79.4	166.8	0	0	0	111.4	G31	G31-L33 PolarHBondContact O-N 3.36Å
34	Q	21.6	Very low	25.1	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.883	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-76.8	158.4	-171.9	-78.4	-178.5	-47.2	0	0	114.4
35	P	23.4	Very low	25.3	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-91.9	138.5	-168.7	5.1	14.9	0	0	0	113.8
36	C	24.1	Very low	25.9	Very low	131 Å²	131	129.1 Å²	129.1	89%	0.885	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-93.1	140.4	167.6	-79.3	0	0	0	0	111.6
37	P	26.8	Very low	27	Very low	115 Å²	115	126.2 Å²	126.2	75%	0.747	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-100.2	127.5	176.9	35	-25.6	0	0	0	111.1
38	D	29.4	Very low	27.5	Very low	168 Å²	168	126.6 Å²	126.6	90%	0.898	71%	0.706	S	S	*	*			trans	-158	145.9	146.6	-115.1	-25.2	0	0	0	113.3
39	Q	24.9	Very low	28	Very low	172 Å²	172	124.3 Å²	124.3	80%	0.804	70%	0.696	S	S	*	*			trans	-102.3	160.4	-162.9	-63.7	176.4	-14	0	0	112.5
40	N	23.7	Very low	28.3	Very low	163 Å²	163	117.7 Å²	117.7	87%	0.872	68%	0.679	S	S	*	*			trans	81.7	82.9	165	-66.4	-18.6	0	0	0	119.6
41	A	27.1	Very low	28.7	Very low	76 Å²	76	114.4 Å²	114.4	63%	0.628	66%	0.662	S	S	*	*	S	Bend	trans	-171.4	142.3	133.1	0	0	0	0	0	108.3	L43	A41-L43 WeakPolarHBondContact O-CB 3.37Å; A41-L43 PolarHBondContact O-N 3.1Å
42	G	27.8	Very low	28.8	Very low	72 Å²	72	119.9 Å²	119.9	74%	0.742	67%	0.674	S	S	*	*			trans	-47.6	106.5	-172.3	0	0	0	0	0	113.6
43	L	27	Very low	29.2	Very low	76 Å²	76	113.6 Å²	113.6	40%	0.398	65%	0.651	S	S	.	*			trans	-111.2	125.5	-161.3	-169.1	73.6	0	0	0	109.5	A41 V45 A50 L51	A41-L43 WeakPolarHBondContact O-CB 3.37Å; A41-L43 PolarHBondContact O-N 3.1Å; L43-V45 HydrophobicContact CB-CG2 4.33Å; L43-V45 HydrophobicContact CD2-CG2 3.65Å; L43-V45 HydrophobicContact CG-CG2 4.07Å; L43-V45 PolarHBondContact O-N 2.91Å; L43-A50 HydrophobicContact CD1-CB 3.48Å; L43-A50 VanDerWaalsContact CD1-CB 3.48Å; L43-A50 HydrophobicContact CD2-CB 3.17Å; L43-A50 HydrophobicContact CG-CB 3.72Å; L43-L51 VanDerWaalsContact CD1-O 3.28Å; L43-L51 WeakPolarHBondContact CD1-O 3.13Å
44	L	31.6	Very low	29.3	Very low	117 Å²	117	112.2 Å²	112.2	61%	0.613	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.8	101.2	166.4	-149.9	113.3	0	0	0	107	V46 L51	L44-V46 HydrophobicContact CD2-CG2 4.3Å; L44-V46 PolarHBondContact O-N 3.07Å; L44-L51 PolarHBondContact O-N 2.8Å
45	V	29	Very low	29.5	Very low	90 Å²	90	111.2 Å²	111.2	55%	0.545	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	113.4	-179.7	176.6	0	0	0	0	108.4	L43 G47	L43-V45 HydrophobicContact CB-CG2 4.33Å; L43-V45 HydrophobicContact CD2-CG2 3.65Å; L43-V45 HydrophobicContact CG-CG2 4.07Å; L43-V45 PolarHBondContact O-N 2.91Å; V45-G47 WeakPolarHBondContact CG1-O 3.47Å
46	V	35.9	Very low	29.6	Very low	30 Å²	30	115.2 Å²	115.2	18%	0.182	65%	0.646	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.8	99.1	166.2	-175.7	0	0	0	0	107.1	L44 F49 L51 V110	L44-V46 HydrophobicContact CD2-CG2 4.3Å; L44-V46 PolarHBondContact O-N 3.07Å; V46-F49 PolarHBondContact N-O 3.33Å; V46-F49 PolarHBondContact O-N 3.04Å; V46-L51 HydrophobicContact CG2-CD1 4.12Å; V46-V110 HydrophobicContact CG2-CG2 3.95Å
47	G	48.5	Very low	30	Very low	41 Å²	41	115.8 Å²	115.8	42%	0.423	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	66.3	-131.9	-174.7	0	0	0	0	0	112.8	V45 F49	V45-G47 WeakPolarHBondContact CG1-O 3.47Å; G47-F49 VanDerWaalsContact C-N 3.3Å
48	K	32.4	Very low	30.1	Very low	207 Å²	207	113.8 Å²	113.8	90%	0.9	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	6.4	177.5	-72.7	-173.1	179	179.2	0	114.1
49	F	35.6	Very low	30	Very low	122 Å²	122	111.2 Å²	111.2	54%	0.535	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	134.8	-175.1	-64.5	-79.3	0	0	0	112.3	V46 G47	V46-F49 PolarHBondContact N-O 3.33Å; V46-F49 PolarHBondContact O-N 3.04Å; G47-F49 VanDerWaalsContact C-N 3.3Å
50	A	29.9	Very low	30.2	Very low	65 Å²	65	110.7 Å²	110.7	54%	0.537	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.9	110.6	-176.4	0	0	0	0	0	110	L43	L43-A50 HydrophobicContact CD1-CB 3.48Å; L43-A50 VanDerWaalsContact CD1-CB 3.48Å; L43-A50 HydrophobicContact CD2-CB 3.17Å; L43-A50 HydrophobicContact CG-CB 3.72Å
51	L	32.7	Very low	30.5	Very low	37 Å²	37	107.8 Å²	107.8	19%	0.194	64%	0.642	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	123.3	170.9	-73.7	165.5	0	0	0	110.4	L43 L44 V46	L43-L51 VanDerWaalsContact CD1-O 3.28Å; L43-L51 WeakPolarHBondContact CD1-O 3.13Å; L44-L51 PolarHBondContact O-N 2.8Å; V46-L51 HydrophobicContact CG2-CD1 4.12Å
52	M	27.1	Very low	30.7	Very low	174 Å²	174	109.2 Å²	109.2	86%	0.857	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-66.8	138.1	177.1	-74.8	-168.3	158.7	0	0	111.8
53	P	28.3	Very low	30.9	Very low	69 Å²	69	114.5 Å²	114.5	45%	0.448	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-75.1	156	-177	28.1	-33.2	0	0	0	114.5	F55	P53-F55 PolarHBondContact O-N 3.35Å
54	V	28.8	Very low	31.3	Very low	119 Å²	119	119.3 Å²	119.3	72%	0.721	67%	0.673	S	S	*	*			trans	-68.9	111.1	-178.7	-179.5	0	0	0	0	111.3
55	F	26	Very low	31.8	Very low	169 Å²	169	117 Å²	117	74%	0.741	67%	0.671	S	S	*	*			trans	-74.8	124	166.2	-68.3	-81.3	0	0	0	110.3	P53 T57	P53-F55 PolarHBondContact O-N 3.35Å; F55-T57 PolarHBondContact O-N 2.88Å
56	K	24.6	Very low	32.7	Very low	207 Å²	207	120 Å²	120	90%	0.9	68%	0.683	S	S	*	*			trans	-65.9	119.7	165.2	-81	-177.8	175.2	178.6	0	108.5	G58	K56-G58 PolarHBondContact O-N 3.23Å
57	T	32.4	Very low	33.7	Very low	142 Å²	142	119.1 Å²	119.1	87%	0.871	68%	0.68	S	S	*	*			trans	-63.1	112.6	176.5	48	0	0	0	0	110.1	F55	F55-T57 PolarHBondContact O-N 2.88Å
58	G	29	Very low	35.2	Very low	73 Å²	73	119.3 Å²	119.3	75%	0.753	68%	0.682	S	S	*	*			trans	-71.6	126	168.9	0	0	0	0	0	110.1	K56 L60	K56-G58 PolarHBondContact O-N 3.23Å; G58-L60 PolarHBondContact O-N 2.79Å
59	S	27.3	Very low	37.9	Very low	115 Å²	115	114.5 Å²	114.5	80%	0.804	67%	0.665	S	S	*	*			trans	-68.3	115.4	172.8	-179.8	0	0	0	0	110
60	L	30.1	Very low	40.5	Very low	160 Å²	160	108.8 Å²	108.8	84%	0.838	64%	0.641	S	S	*	*			trans	-143.4	82.4	160.7	-106.5	150.4	0	0	0	106.6	G58 S62	G58-L60 PolarHBondContact O-N 2.79Å; L60-S62 PolarHBondContact O-N 3.2Å; L60-S62 VanDerWaalsContact O-N 3.07Å
61	A	29.1	Very low	43.5	Very low	103 Å²	103	108 Å²	108	85%	0.851	62%	0.624	S	S	*	*			trans	-66.6	101.3	169.2	0	0	0	0	0	108.1
62	S	31.7	Very low	46.6	Very low	106 Å²	106	106.3 Å²	106.3	74%	0.741	62%	0.615	S	S	*	*			trans	-109.7	145.4	163.3	52.5	0	0	0	0	108.2	L60	L60-S62 PolarHBondContact O-N 3.2Å; L60-S62 VanDerWaalsContact O-N 3.07Å
63	E	31.4	Very low	49.9	Very low	183 Å²	183	98 Å²	98	86%	0.855	57%	0.574	S	S	*	*	S	Bend	trans	-46.1	137.8	-166.3	-77	162.5	132.9	0	0	115.9
64	E	35.3	Very low	53.1	Low	176 Å²	176	94.8 Å²	94.8	82%	0.822	55%	0.553	S	S	*	*			trans	57.3	56.6	149.5	-60.8	-179.2	162.1	0	0	117.5	L66	E64-L66 PolarHBondContact O-N 3.22Å; E64-L66 VanDerWaalsContact O-N 3.13Å
65	A	42.9	Very low	56.3	Low	69 Å²	69	93.3 Å²	93.3	57%	0.57	54%	0.541	S	S	*	.			trans	-67.6	102.5	146.3	0	0	0	0	0	107.9	G67	A65-G67 PolarHBondContact O-N 3.05Å
66	L	48.2	Very low	59.1	Low	154 Å²	154	88.1 Å²	88.1	81%	0.806	52%	0.521	S	S	*	.	S	Bend	trans	-58	2.2	178.1	-143.4	89.7	0	0	0	114.7	E64	E64-L66 PolarHBondContact O-N 3.22Å; E64-L66 VanDerWaalsContact O-N 3.13Å
67	G	56.6	Low	61.4	Low	10 Å²	10	81.7 Å²	81.7	10%	0.103	51%	0.514	C	S	.	.	S	Bend	trans	-132	118.6	172.8	0	0	0	0	0	109.8	A65	A65-G67 PolarHBondContact O-N 3.05Å
68	G	80.8	Confident	63.2	Low	45 Å²	45	77.8 Å²	77.8	46%	0.464	49%	0.492	S	S	.	.			trans	-72.3	-169.4	175.8	0	0	0	0	0	113.2	G70 Y71	G68-G70 PolarHBondContact O-N 3.01Å; G68-Y71 WeakPolarHBondContact O-CB 3.34Å; G68-Y71 PolarHBondContact O-N 3.09Å
69	L	88.5	Confident	65.4	Low	107 Å²	107	77.8 Å²	77.8	56%	0.56	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	137.7	174.1	-61.9	169.1	0	0	0	111	Y71 W133 R683	L69-Y71 PolarHBondContact O-N 3.02Å; L69-W133 HydrophobicContact CB-CE3 4.06Å; L69-W133 HydrophobicContact CB-CZ3 4.43Å; L69-W133 VanDerWaalsContact CD2-O 3.24Å; L69-W133 WeakPolarHBondContact CD2-O 3.33Å; L69-R683 PolarHBondContact O-NH1 3.33Å
70	G	89.2	Confident	68.3	Low	2 Å²	2	72.7 Å²	72.7	2%	0.021	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.2	-177.9	0	0	0	0	0	115.1	G68 T72 M132 R683	G68-G70 PolarHBondContact O-N 3.01Å; G70-T72 PolarHBondContact O-N 2.7Å; G70-M132 WeakPolarHBondContact CA-O 3.36Å; G70-M132 PolarHBondContact N-O 3.24Å; G70-R683 PolarHBondContact O-NH1 3.09Å; G70-R683 VanDerWaalsContact O-NH1 3.08Å
71	Y	94.4	Very high	71.2	Confident	49 Å²	49	65.3 Å²	65.3	19%	0.192	40%	0.4	C	S	.	.			trans	-88.4	51.5	176	-153.8	-79.8	0	0	0	110.5	G68 L69 V690 D692	G68-Y71 WeakPolarHBondContact O-CB 3.34Å; G68-Y71 PolarHBondContact O-N 3.09Å; L69-Y71 PolarHBondContact O-N 3.02Å; Y71-V690 HydrophobicContact CD1-CB 3.82Å; Y71-V690 HydrophobicContact CD1-CG1 3.92Å; Y71-V690 HydrophobicContact CD2-CG1 3.98Å; Y71-V690 HydrophobicContact CE1-CB 3.62Å; Y71-V690 HydrophobicContact CE1-CG1 3.87Å; Y71-V690 HydrophobicContact CE2-CG1 3.95Å; Y71-V690 HydrophobicContact CG-CB 4.39Å; Y71-V690 HydrophobicContact CG-CG1 3.98Å; Y71-V690 PolarHBondContact OH-O 2.94Å; Y71-D692 WeakPolarHBondContact CE2-OD1 2.91Å
72	T	96.4	Very high	74.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.361	C	S	.	.			trans	-112.5	117	-172.8	-49.8	0	0	0	0	109.8	G70 Q88 M132 R136 T139	G70-T72 PolarHBondContact O-N 2.7Å; T72-Q88 PolarHBondContact O-NE2 3.34Å; T72-M132 HydrophobicContact CG2-SD 3.94Å; T72-M132 WeakPolarHBondContact O-CE 3.5Å; T72-M132 PolarHBondContact OG1-O 3.42Å; T72-R136 HydrophobicContact CG2-CB 4.44Å; T72-R136 PolarHBondContact OG1-O 2.69Å; T72-T139 HydrophobicContact CG2-CG2 3.74Å
73	G	96.5	Very high	77	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	160.8	171.7	0	0	0	0	0	112.8	K137 T138 T139 D687	G73-K137 PolarHBondContact N-O 3.43Å; G73-T138 CarbonylContact O-C 3.44Å; G73-T138 VanDerWaalsContact O-CA 3.26Å; G73-T138 WeakPolarHBondContact O-CA 3.44Å; G73-T139 PolarHBondContact O-N 2.98Å; G73-D687 CarbonylContact C-O 3.6Å; G73-D687 VanDerWaalsContact CA-O 3.23Å; G73-D687 WeakPolarHBondContact CA-O 3.29Å
74	L	96.8	Very high	80.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	-179.5	-61.9	-178.8	0	0	0	112.8	N76 N84 L87 Q88 F128 M132 T139 D687 T688	L74-N76 PolarHBondContact O-N 3.41Å; L74-N84 HydrophobicContact CB-CB 4.12Å; L74-N84 HydrophobicContact CD1-CB 3.88Å; L74-L87 HydrophobicContact CD1-CB 4.37Å; L74-Q88 HydrophobicContact CD1-CG 4.03Å; L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.13Å; L74-F128 HydrophobicContact CD2-CE2 3.62Å; L74-F128 HydrophobicContact CD2-CZ 4.28Å; L74-M132 HydrophobicContact CD2-SD 3.68Å; L74-M132 HydrophobicContact CG-SD 4.45Å; L74-T139 CarbonylContact C-O 3.47Å; L74-T139 VanDerWaalsContact CA-O 3.28Å; L74-T139 WeakPolarHBondContact CA-O 3.32Å; L74-T139 HydrophobicContact CD2-CG2 3.43Å; L74-T139 VanDerWaalsContact CD2-CG2 3.43Å; L74-D687 VanDerWaalsContact N-C 3.34Å; L74-D687 PolarHBondContact N-O 3.45Å; L74-D687 CarbonylContact O-C 3.48Å; L74-D687 VanDerWaalsContact O-CA 3.24Å; L74-D687 WeakPolarHBondContact O-CA 3.35Å; L74-D687 WeakPolarHBondContact O-CB 3.42Å; L74-T688 WeakPolarHBondContact O-CG2 3.17Å; L74-T688 PolarHBondContact O-N 2.96Å
75	L	94.2	Very high	83	Confident	88 Å²	88	38.8 Å²	38.8	46%	0.461	25%	0.247	S	C	.	.			trans	-64.4	129.7	174.5	-66.7	168.9	0	0	0	110.9	G77 T138 T139 D140 T688	L75-G77 PolarHBondContact O-N 3.15Å; L75-T138 HydrophobicContact CD2-CG2 3.92Å; L75-T138 HydrophobicContact CG-CG2 3.82Å; L75-T139 PolarHBondContact N-O 2.82Å; L75-D140 HydrophobicContact CB-CB 4.03Å; L75-D140 HydrophobicContact CD1-CB 4.19Å; L75-T688 HydrophobicContact CD2-CG2 3.64Å; L75-T688 HydrophobicContact CG-CG2 4.31Å
76	N	86.4	Confident	85.6	Confident	61 Å²	61	35.5 Å²	35.5	33%	0.326	22%	0.22	S	C	.	.			trans	-97.6	85.5	174.6	-171.7	-0.3	0	0	0	109.9	L74 N79 N80 D687	L74-N76 PolarHBondContact O-N 3.41Å; N76-N79 PolarHBondContact OD1-N 2.88Å; N76-N80 PolarHBondContact OD1-N 3.37Å; N76-D687 HydrophobicContact CB-CB 4.11Å; N76-D687 VanDerWaalsContact CB-OD2 3.31Å; N76-D687 WeakPolarHBondContact CB-OD2 3.23Å; N76-D687 PolarHBondContact ND2-OD2 3.44Å
77	G	72.2	Confident	87.9	Confident	72 Å²	72	28.2 Å²	28.2	74%	0.742	18%	0.182	S	C	*	.	S	Bend	trans	-85.2	-17.4	-175.7	0	0	0	0	0	115.6	L75	L75-G77 PolarHBondContact O-N 3.15Å
78	S	69.9	Low	89.9	Confident	59 Å²	59	27.9 Å²	27.9	41%	0.413	18%	0.178	S	C	.	.	S	Bend	trans	-162.1	50.7	-169.3	55.3	0	0	0	0	113.3	N80	S78-N80 PolarHBondContact O-N 2.99Å; S78-N80 PolarHBondContact O-OD1 2.85Å; S78-N80 VanDerWaalsContact O-OD1 3.06Å; S78-N80 PolarHBondContact OG-ND2 3.29Å; S78-N80 PolarHBondContact OG-OD1 3.45Å
79	N	76.7	Confident	90.7	Very high	73 Å²	73	25.7 Å²	25.7	39%	0.39	16%	0.156	S	C	.	.	S	Bend	trans	58.9	29.8	-174.8	-65.4	-28.8	0	0	0	113.8	N76 C81 F82 G158	N76-N79 PolarHBondContact OD1-N 2.88Å; N79-C81 PolarHBondContact O-N 3.47Å; N79-F82 VanDerWaalsContact O-CD1 3.23Å; N79-F82 WeakPolarHBondContact O-CD1 3.21Å; N79-F82 VanDerWaalsContact O-CE1 3.3Å; N79-F82 WeakPolarHBondContact O-CE1 3.08Å; N79-G158 PolarHBondContact ND2-O 3.22Å
80	N	87.2	Confident	91.2	Very high	9 Å²	9	20.6 Å²	20.6	5%	0.048	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9.4	-175.5	-62.3	-18.3	0	0	0	113.7	N76 S78 F82 A83 N84	N76-N80 PolarHBondContact OD1-N 3.37Å; S78-N80 PolarHBondContact O-N 2.99Å; S78-N80 PolarHBondContact O-OD1 2.85Å; S78-N80 VanDerWaalsContact O-OD1 3.06Å; S78-N80 PolarHBondContact OG-ND2 3.29Å; S78-N80 PolarHBondContact OG-OD1 3.45Å; N80-F82 PolarHBondContact O-N 3.42Å; N80-F82 VanDerWaalsContact O-N 3.14Å; N80-A83 WeakPolarHBondContact O-CB 3.37Å; N80-A83 PolarHBondContact O-N 2.98Å; N80-N84 PolarHBondContact O-N 2.79Å
81	C	91.1	Very high	91.6	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.034	13%	0.128	C	C	.	.	H	α-helix	trans	-53.8	-36.6	-177.3	61.6	0	0	0	0	112.5	N79 A83 N84 A85 Y664	N79-C81 PolarHBondContact O-N 3.47Å; C81-A83 PolarHBondContact O-N 2.89Å; C81-N84 PolarHBondContact O-N 3.49Å; C81-A85 WeakPolarHBondContact O-CB 3.48Å; C81-A85 PolarHBondContact O-N 3.18Å; C81-Y664 WeakPolarHBondContact O-CB 3.41Å
82	F	90.5	Very high	91.7	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.022	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-45.7	175.4	69.8	-87	0	0	0	111.9	N79 N80 V86 H161 A163 F166 Y664	N79-F82 VanDerWaalsContact O-CD1 3.23Å; N79-F82 WeakPolarHBondContact O-CD1 3.21Å; N79-F82 VanDerWaalsContact O-CE1 3.3Å; N79-F82 WeakPolarHBondContact O-CE1 3.08Å; N80-F82 PolarHBondContact O-N 3.42Å; N80-F82 VanDerWaalsContact O-N 3.14Å; F82-V86 WeakPolarHBondContact O-CG2 3.32Å; F82-V86 PolarHBondContact O-N 3.43Å; F82-H161 HydrophobicContact CD1-CB 4.18Å; F82-H161 HydrophobicContact CD2-CB 4.12Å; F82-H161 HydrophobicContact CE1-CB 3.9Å; F82-H161 AromaticContact CE1-CD2 3.92Å; F82-H161 HydrophobicContact CE2-CB 3.84Å; F82-H161 HydrophobicContact CG-CB 4.31Å; F82-H161 HydrophobicContact CZ-CB 3.73Å; F82-H161 AromaticContact CZ-CD2 3.98Å; F82-A163 HydrophobicContact CB-CB 4.16Å; F82-F166 HydrophobicContact CD2-CB 3.82Å; F82-F166 HydrophobicContact CD2-CD2 4.49Å; F82-F166 HydrophobicContact CD2-CG 4.07Å; F82-F166 HydrophobicContact CE2-CB 3.77Å; F82-F166 AromaticContact CE2-CD2 3.8Å; F82-F166 HydrophobicContact CE2-CD2 3.8Å; F82-F166 AromaticContact CE2-CG 3.83Å; F82-F166 HydrophobicContact CE2-CG 3.83Å; F82-Y664 HydrophobicContact CB-CD2 3.55Å; F82-Y664 HydrophobicContact CB-CE2 3.71Å; F82-Y664 HydrophobicContact CB-CG 4.02Å
83	A	93	Very high	91.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.1	-43.2	178.1	0	0	0	0	0	111.2	N80 C81 A85 V86 L87 V145 F166	N80-A83 WeakPolarHBondContact O-CB 3.37Å; N80-A83 PolarHBondContact O-N 2.98Å; C81-A83 PolarHBondContact O-N 2.89Å; A83-A85 VanDerWaalsContact C-N 3.34Å; A83-A85 PolarHBondContact O-N 3.02Å; A83-V86 PolarHBondContact O-N 3Å; A83-L87 VanDerWaalsContact O-CB 3.32Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.22Å; A83-L87 WeakPolarHBondContact O-CG 3.35Å; A83-L87 PolarHBondContact O-N 3.45Å; A83-V145 HydrophobicContact CB-CG2 3.68Å; A83-F166 HydrophobicContact CB-CD1 3.98Å; A83-F166 HydrophobicContact CB-CD2 4.07Å; A83-F166 HydrophobicContact CB-CE1 3.65Å; A83-F166 HydrophobicContact CB-CE2 3.73Å; A83-F166 HydrophobicContact CB-CG 4.18Å; A83-F166 HydrophobicContact CB-CZ 3.52Å
84	N	95.4	Very high	91.6	Very high	4 Å²	4	19 Å²	19	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-47.7	178.3	-73.9	-11.5	0	0	0	111.1	L74 N80 C81 L87 Q88 D687	L74-N84 HydrophobicContact CB-CB 4.12Å; L74-N84 HydrophobicContact CD1-CB 3.88Å; N80-N84 PolarHBondContact O-N 2.79Å; C81-N84 PolarHBondContact O-N 3.49Å; N84-L87 PolarHBondContact O-N 3.47Å; N84-Q88 WeakPolarHBondContact O-CB 3.44Å; N84-Q88 WeakPolarHBondContact O-CG 3.24Å; N84-Q88 PolarHBondContact O-N 2.88Å; N84-D687 PolarHBondContact ND2-OD1 3.19Å
85	A	96.2	Very high	91.5	Very high	2 Å²	2	19 Å²	19	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-43.9	179.5	0	0	0	0	0	112.3	C81 A83 Q88 A89 V653 A666	C81-A85 WeakPolarHBondContact O-CB 3.48Å; C81-A85 PolarHBondContact O-N 3.18Å; A83-A85 VanDerWaalsContact C-N 3.34Å; A83-A85 PolarHBondContact O-N 3.02Å; A85-Q88 PolarHBondContact O-N 3.24Å; A85-A89 PolarHBondContact O-N 3.4Å; A85-A89 VanDerWaalsContact O-N 3.13Å; A85-V653 HydrophobicContact CB-CG1 3.75Å; A85-V653 HydrophobicContact CB-CG2 4.31Å; A85-A666 HydrophobicContact CB-CB 4.13Å; A85-A666 WeakPolarHBondContact O-CB 3.31Å
86	V	96.5	Very high	91.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175.4	166.6	0	0	0	0	111.6	F82 A83 Q88 A89 L90 A163 F166 L167	F82-V86 WeakPolarHBondContact O-CG2 3.32Å; F82-V86 PolarHBondContact O-N 3.43Å; A83-V86 PolarHBondContact O-N 3Å; V86-Q88 VanDerWaalsContact C-N 3.32Å; V86-Q88 PolarHBondContact O-N 3.49Å; V86-A89 WeakPolarHBondContact O-CB 3.49Å; V86-A89 PolarHBondContact O-N 3.18Å; V86-L90 HydrophobicContact CG1-CD1 4.05Å; V86-L90 HydrophobicContact CG1-CG 4.46Å; V86-L90 WeakPolarHBondContact O-CG 3.45Å; V86-L90 PolarHBondContact O-N 3.2Å; V86-A163 HydrophobicContact CG2-CB 4.02Å; V86-F166 HydrophobicContact CB-CD1 3.99Å; V86-F166 HydrophobicContact CB-CE1 4.17Å; V86-F166 HydrophobicContact CG1-CD1 3.87Å; V86-F166 HydrophobicContact CG1-CE1 3.96Å; V86-F166 HydrophobicContact CG2-CD1 4.35Å; V86-L167 HydrophobicContact CG1-CB 3.84Å; V86-L167 HydrophobicContact CG1-CD1 3.69Å; V86-L167 HydrophobicContact CG1-CG 4.21Å; V86-L167 HydrophobicContact CG2-CB 4.21Å
87	L	97.8	Very high	92	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.4	-36	-179.6	-72.9	171.3	0	0	0	112.1	L74 A83 N84 L90 A91 F125 F128 A141 I144 F166 L170	L74-L87 HydrophobicContact CD1-CB 4.37Å; A83-L87 VanDerWaalsContact O-CB 3.32Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.22Å; A83-L87 WeakPolarHBondContact O-CG 3.35Å; A83-L87 PolarHBondContact O-N 3.45Å; N84-L87 PolarHBondContact O-N 3.47Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-A91 WeakPolarHBondContact O-CB 3.34Å; L87-A91 PolarHBondContact O-N 3.24Å; L87-F125 HydrophobicContact CD2-CD2 4.15Å; L87-F125 HydrophobicContact CD2-CE2 3.86Å; L87-F128 HydrophobicContact CB-CE1 3.95Å; L87-F128 HydrophobicContact CB-CZ 3.67Å; L87-F128 HydrophobicContact CD1-CE2 4.4Å; L87-F128 HydrophobicContact CD1-CZ 4.26Å; L87-F128 HydrophobicContact CD2-CE1 4.12Å; L87-F128 HydrophobicContact CD2-CZ 4.48Å; L87-F128 HydrophobicContact CG-CE1 4.47Å; L87-F128 HydrophobicContact CG-CZ 4.37Å; L87-A141 HydrophobicContact CD1-CB 3.33Å; L87-I144 HydrophobicContact CD1-CD1 4.43Å; L87-I144 HydrophobicContact CD2-CD1 4.24Å; L87-F166 HydrophobicContact CD1-CZ 4.35Å; L87-F166 HydrophobicContact CD2-CE1 4.47Å; L87-F166 HydrophobicContact CG-CE1 4.12Å; L87-F166 HydrophobicContact CG-CZ 4.3Å; L87-L170 HydrophobicContact CD2-CD2 3.66Å
88	Q	97.8	Very high	93.1	Very high	3 Å²	3	10.3 Å²	10.3	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-63.1	-41.6	173	-71.4	-73.6	13.3	0	0	111.7	T72 L74 N84 A85 V86 N92 A666 F685	T72-Q88 PolarHBondContact O-NE2 3.34Å; L74-Q88 HydrophobicContact CD1-CG 4.03Å; N84-Q88 WeakPolarHBondContact O-CB 3.44Å; N84-Q88 WeakPolarHBondContact O-CG 3.24Å; N84-Q88 PolarHBondContact O-N 2.88Å; A85-Q88 PolarHBondContact O-N 3.24Å; V86-Q88 VanDerWaalsContact C-N 3.32Å; V86-Q88 PolarHBondContact O-N 3.49Å; Q88-N92 PolarHBondContact O-N 3.46Å; Q88-N92 PolarHBondContact O-ND2 3.23Å; Q88-A666 HydrophobicContact CB-CB 3.85Å; Q88-F685 HydrophobicContact CB-CB 4.21Å; Q88-F685 HydrophobicContact CB-CD2 4.3Å; Q88-F685 HydrophobicContact CB-CG 4.17Å; Q88-F685 HydrophobicContact CG-CB 3.77Å; Q88-F685 HydrophobicContact CG-CD1 4.17Å; Q88-F685 HydrophobicContact CG-CG 3.93Å; Q88-F685 VanDerWaalsContact NE2-CD1 3.28Å
89	A	98.1	Very high	94.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.1	-48.2	175.1	0	0	0	0	0	111.8	A85 V86 A91 N92 T93 A651 V653 F707	A85-A89 PolarHBondContact O-N 3.4Å; A85-A89 VanDerWaalsContact O-N 3.13Å; V86-A89 WeakPolarHBondContact O-CB 3.49Å; V86-A89 PolarHBondContact O-N 3.18Å; A89-A91 PolarHBondContact O-N 3.2Å; A89-N92 PolarHBondContact O-N 3.03Å; A89-T93 PolarHBondContact O-N 3.44Å; A89-A651 HydrophobicContact CB-CB 3.83Å; A89-V653 HydrophobicContact CB-CG2 4.18Å; A89-F707 HydrophobicContact CB-CD2 3.91Å; A89-F707 HydrophobicContact CB-CE1 4.25Å; A89-F707 HydrophobicContact CB-CE2 3.61Å; A89-F707 HydrophobicContact CB-CG 4.36Å; A89-F707 HydrophobicContact CB-CZ 3.8Å
90	L	98.2	Very high	95.3	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.5	-34.8	178.8	-67.9	177.1	0	0	0	113.3	V86 L87 N92 T93 L96 F125 L167 L170 L171 F222 F707	V86-L90 HydrophobicContact CG1-CD1 4.05Å; V86-L90 HydrophobicContact CG1-CG 4.46Å; V86-L90 WeakPolarHBondContact O-CG 3.45Å; V86-L90 PolarHBondContact O-N 3.2Å; L87-L90 PolarHBondContact O-N 3.36Å; L90-N92 PolarHBondContact O-N 3.05Å; L90-T93 VanDerWaalsContact O-CB 3.29Å; L90-T93 WeakPolarHBondContact O-CB 3.41Å; L90-T93 PolarHBondContact O-N 3.1Å; L90-T93 PolarHBondContact O-OG1 3.19Å; L90-L96 HydrophobicContact CD2-CD1 4.35Å; L90-F125 HydrophobicContact CB-CZ 4.45Å; L90-L167 HydrophobicContact CD1-CD1 3.85Å; L90-L167 HydrophobicContact CD2-CD1 4.1Å; L90-L167 HydrophobicContact CG-CD1 4.21Å; L90-L170 HydrophobicContact CD1-CD2 3.53Å; L90-L170 HydrophobicContact CD1-CG 4.41Å; L90-L171 HydrophobicContact CD2-CD2 4.29Å; L90-F222 HydrophobicContact CD2-CE1 4.33Å; L90-F222 HydrophobicContact CD2-CZ 3.88Å; L90-F707 HydrophobicContact CD2-CE1 4.22Å
91	A	97.5	Very high	95.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.3	-23.2	177.4	0	0	0	0	0	113	L87 A89 F128 L129 M132 W133	L87-A91 WeakPolarHBondContact O-CB 3.34Å; L87-A91 PolarHBondContact O-N 3.24Å; A89-A91 PolarHBondContact O-N 3.2Å; A91-F128 HydrophobicContact CB-CE1 4.31Å; A91-L129 HydrophobicContact CB-CD2 3.68Å; A91-M132 HydrophobicContact CB-CG 4.4Å; A91-W133 PolarHBondContact O-NE1 2.89Å
92	N	96.6	Very high	95.6	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.021	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.2	175.3	-73	-79.8	0	0	0	113.1	Q88 A89 L90 W94 W133 Y650 A668 L670	Q88-N92 PolarHBondContact O-N 3.46Å; Q88-N92 PolarHBondContact O-ND2 3.23Å; A89-N92 PolarHBondContact O-N 3.03Å; L90-N92 PolarHBondContact O-N 3.05Å; N92-W94 PolarHBondContact O-N 3.3Å; N92-W133 WeakPolarHBondContact OD1-CZ2 3.49Å; N92-Y650 HydrophobicContact CB-CD2 4.42Å; N92-Y650 HydrophobicContact CB-CE2 4.46Å; N92-Y650 WeakPolarHBondContact O-CE2 3.48Å; N92-A668 HydrophobicContact CB-CB 3.94Å; N92-L670 WeakPolarHBondContact O-CD1 3.32Å
93	T	96.6	Very high	95.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.			trans	-74.1	106	166.3	-50.5	0	0	0	0	109.4	A89 L90 Q95 L96 K97 T221 F222 V600 Y650	A89-T93 PolarHBondContact O-N 3.44Å; L90-T93 VanDerWaalsContact O-CB 3.29Å; L90-T93 WeakPolarHBondContact O-CB 3.41Å; L90-T93 PolarHBondContact O-N 3.1Å; L90-T93 PolarHBondContact O-OG1 3.19Å; T93-Q95 HydrophobicContact CG2-CB 4.34Å; T93-Q95 VanDerWaalsContact CG2-OE1 3.28Å; T93-Q95 PolarHBondContact O-N 3.01Å; T93-L96 HydrophobicContact CG2-CG 4.13Å; T93-L96 PolarHBondContact O-N 3.14Å; T93-L96 VanDerWaalsContact O-N 3.1Å; T93-K97 PolarHBondContact O-N 3.29Å; T93-T221 HydrophobicContact CG2-CG2 4.08Å; T93-F222 HydrophobicContact CG2-CE1 4.41Å; T93-F222 HydrophobicContact CG2-CZ 4.04Å; T93-V600 HydrophobicContact CG2-CG2 3.87Å; T93-Y650 PolarHBondContact OG1-OH 3.49Å
94	W	94.6	Very high	95.7	Very high	12 Å²	12	16.1 Å²	16.1	5%	0.045	9%	0.09	C	C	.	.	H	α-helix	trans	-58.6	-34.8	-174.1	75.1	-98.8	0	0	0	112.8	N92 L96 K97 S98 L670 E673 F713 A715 F718 F719	N92-W94 PolarHBondContact O-N 3.3Å; W94-L96 VanDerWaalsContact C-N 3.35Å; W94-L96 PolarHBondContact O-N 2.96Å; W94-K97 PolarHBondContact O-N 3.37Å; W94-S98 WeakPolarHBondContact O-CB 3.34Å; W94-S98 PolarHBondContact O-N 2.87Å; W94-S98 PolarHBondContact O-OG 2.96Å; W94-S98 VanDerWaalsContact O-OG 3.06Å; W94-L670 HydrophobicContact CB-CD1 3.92Å; W94-E673 HydrophobicContact CD2-CG 4.45Å; W94-E673 HydrophobicContact CE3-CG 3.85Å; W94-E673 HydrophobicContact CZ3-CG 4.41Å; W94-F713 HydrophobicContact CZ2-CD1 4.11Å; W94-A715 HydrophobicContact CE3-CB 4.3Å; W94-A715 VanDerWaalsContact CH2-CA 3.43Å; W94-A715 HydrophobicContact CH2-CB 3.86Å; W94-A715 HydrophobicContact CZ3-CB 3.49Å; W94-A715 VanDerWaalsContact CZ3-CB 3.49Å; W94-F718 HydrophobicContact CH2-CB 3.8Å; W94-F718 HydrophobicContact CH2-CD1 4.06Å; W94-F718 HydrophobicContact CH2-CG 4.04Å; W94-F718 HydrophobicContact CZ3-CD1 4.22Å; W94-F719 HydrophobicContact CZ3-CE2 4.14Å
95	Q	95.4	Very high	95.6	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-57.5	-48.3	177.5	-64.8	88.3	-23.8	0	0	111.1	T93 Y99 T221 V600 F718	T93-Q95 HydrophobicContact CG2-CB 4.34Å; T93-Q95 VanDerWaalsContact CG2-OE1 3.28Å; T93-Q95 PolarHBondContact O-N 3.01Å; Q95-Y99 WeakPolarHBondContact O-CB 3.07Å; Q95-Y99 PolarHBondContact O-N 2.94Å; Q95-T221 HydrophobicContact CB-CG2 3.84Å; Q95-T221 HydrophobicContact CG-CG2 4.13Å; Q95-V600 VanDerWaalsContact NE2-CG2 3.33Å; Q95-F718 HydrophobicContact CB-CE1 3.83Å; Q95-F718 HydrophobicContact CB-CZ 3.81Å; Q95-F718 HydrophobicContact CG-CD1 4.26Å; Q95-F718 HydrophobicContact CG-CD2 4.42Å; Q95-F718 HydrophobicContact CG-CE1 3.94Å; Q95-F718 HydrophobicContact CG-CE2 4.08Å; Q95-F718 HydrophobicContact CG-CG 4.48Å; Q95-F718 HydrophobicContact CG-CZ 3.82Å
96	L	96.5	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-48.5	177.9	-63.8	-173.8	0	0	0	111.2	L90 T93 W94 S98 Y99 F100 F125 I217 I218 F222	L90-L96 HydrophobicContact CD2-CD1 4.35Å; T93-L96 HydrophobicContact CG2-CG 4.13Å; T93-L96 PolarHBondContact O-N 3.14Å; T93-L96 VanDerWaalsContact O-N 3.1Å; W94-L96 VanDerWaalsContact C-N 3.35Å; W94-L96 PolarHBondContact O-N 2.96Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.3Å; L96-Y99 PolarHBondContact O-N 3.14Å; L96-F100 VanDerWaalsContact O-CD2 3.31Å; L96-F100 WeakPolarHBondContact O-CD2 3.18Å; L96-F100 PolarHBondContact O-N 3.11Å; L96-F125 HydrophobicContact CD1-CZ 4.4Å; L96-I217 HydrophobicContact CD2-CG1 4.5Å; L96-I218 HydrophobicContact CD2-CD1 4.13Å; L96-F222 HydrophobicContact CD1-CE2 3.84Å; L96-F222 HydrophobicContact CD1-CZ 3.82Å; L96-F222 HydrophobicContact CD2-CE2 4.18Å; L96-F222 HydrophobicContact CG-CE2 4.15Å; L96-F222 HydrophobicContact CG-CZ 4.26Å
97	K	95	Very high	94.9	Very high	34 Å²	34	22.4 Å²	22.4	15%	0.148	12%	0.12	C	C	.	.	H	α-helix	trans	-48.5	-53.3	176.4	177.5	-161.1	170.4	-161	0	110.2	T93 W94 A101 W133 L670 E679	T93-K97 PolarHBondContact O-N 3.29Å; W94-K97 PolarHBondContact O-N 3.37Å; K97-A101 WeakPolarHBondContact O-CB 3.47Å; K97-A101 PolarHBondContact O-N 3.15Å; K97-W133 HydrophobicContact CD-CD2 4.23Å; K97-W133 HydrophobicContact CD-CZ2 4.27Å; K97-W133 HydrophobicContact CG-CG 4.46Å; K97-L670 HydrophobicContact CD-CD1 4Å; K97-L670 HydrophobicContact CD-CD2 3.81Å; K97-E679 IonicContact NZ-OE1 3.36Å; K97-E679 PolarHBondContact NZ-OE1 3.46Å
98	S	94.2	Very high	94.4	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-73.6	-35.6	-175.1	-57.4	0	0	0	0	112.5	W94 L96 K102 E673	W94-S98 WeakPolarHBondContact O-CB 3.34Å; W94-S98 PolarHBondContact O-N 2.87Å; W94-S98 PolarHBondContact O-OG 2.96Å; W94-S98 VanDerWaalsContact O-OG 3.06Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.3Å; S98-K102 WeakPolarHBondContact O-CB 3.49Å; S98-K102 VanDerWaalsContact O-CG 3.27Å; S98-K102 WeakPolarHBondContact O-CG 3.32Å; S98-K102 PolarHBondContact O-N 2.78Å; S98-E673 WeakPolarHBondContact CB-OE1 3.48Å; S98-E673 PolarHBondContact OG-OE1 2.99Å
99	Y	95.9	Very high	93.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-48.3	175.1	173.5	-99.4	0	0	0	112.3	Q95 L96 S103 Y104 Y105 D108 L178 I217 F719 Y722	Q95-Y99 WeakPolarHBondContact O-CB 3.07Å; Q95-Y99 PolarHBondContact O-N 2.94Å; L96-Y99 PolarHBondContact O-N 3.14Å; Y99-S103 PolarHBondContact O-N 2.97Å; Y99-Y104 HydrophobicContact CD2-CD2 4.35Å; Y99-Y104 HydrophobicContact CD2-CG 4.26Å; Y99-Y104 VanDerWaalsContact CE2-CB 3.46Å; Y99-Y104 PolarHBondContact O-N 3.37Å; Y99-Y105 VanDerWaalsContact CZ-CA 3.46Å; Y99-Y105 VanDerWaalsContact OH-CA 3.27Å; Y99-Y105 WeakPolarHBondContact OH-CA 3.4Å; Y99-D108 PolarHBondContact OH-OD2 3.06Å; Y99-L178 HydrophobicContact CE1-CD1 4.08Å; Y99-I217 HydrophobicContact CD1-CB 4.38Å; Y99-I217 HydrophobicContact CD1-CG1 3.92Å; Y99-I217 HydrophobicContact CD1-CG2 4.15Å; Y99-I217 HydrophobicContact CD2-CB 4.18Å; Y99-I217 HydrophobicContact CD2-CD1 3.58Å; Y99-I217 HydrophobicContact CD2-CG1 3.65Å; Y99-I217 HydrophobicContact CE1-CB 4.05Å; Y99-I217 HydrophobicContact CE1-CG1 4.12Å; Y99-I217 HydrophobicContact CE1-CG2 3.64Å; Y99-I217 HydrophobicContact CE2-CB 3.86Å; Y99-I217 HydrophobicContact CE2-CD1 4.01Å; Y99-I217 HydrophobicContact CE2-CG1 3.88Å; Y99-I217 HydrophobicContact CE2-CG2 4.34Å; Y99-I217 HydrophobicContact CG-CB 4.42Å; Y99-I217 HydrophobicContact CG-CD1 3.97Å; Y99-I217 HydrophobicContact CG-CG1 3.66Å; Y99-F719 HydrophobicContact CD2-CE1 4.5Å; Y99-Y722 HydrophobicContact CD2-CE2 4.25Å; Y99-Y722 AromaticContact CE2-CE2 3.65Å; Y99-Y722 HydrophobicContact CE2-CE2 3.65Å; Y99-Y722 AromaticContact CE2-CZ 3.81Å
100	F	96.5	Very high	93	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.039	14%	0.143	C	C	.	.	H	α-helix	trans	-73.3	-42.2	178.6	-78.3	-80.3	0	0	0	112.3	L96 K102 S103 Y105 I122 F125 A126 L129 L174 L178	L96-F100 VanDerWaalsContact O-CD2 3.31Å; L96-F100 WeakPolarHBondContact O-CD2 3.18Å; L96-F100 PolarHBondContact O-N 3.11Å; F100-K102 VanDerWaalsContact C-N 3.34Å; F100-K102 PolarHBondContact O-N 3.13Å; F100-S103 PolarHBondContact O-N 2.58Å; F100-Y105 AromaticContact CD1-CD1 3.65Å; F100-Y105 HydrophobicContact CD1-CD1 3.65Å; F100-Y105 HydrophobicContact CD1-CD2 4.43Å; F100-Y105 HydrophobicContact CD1-CE1 4.17Å; F100-Y105 AromaticContact CD1-CG 3.8Å; F100-Y105 HydrophobicContact CD1-CG 3.8Å; F100-Y105 HydrophobicContact CE1-CD1 4.21Å; F100-Y105 HydrophobicContact CE1-CD2 4.25Å; F100-Y105 AromaticContact CE1-CG 3.87Å; F100-Y105 HydrophobicContact CE1-CG 3.87Å; F100-Y105 HydrophobicContact CG-CD1 4.48Å; F100-I122 HydrophobicContact CE1-CG2 4.33Å; F100-F125 HydrophobicContact CD2-CD1 4.25Å; F100-F125 HydrophobicContact CD2-CE1 4.07Å; F100-F125 HydrophobicContact CE1-CD1 4.18Å; F100-F125 AromaticContact CE2-CD1 3.66Å; F100-F125 HydrophobicContact CE2-CD1 3.66Å; F100-F125 AromaticContact CE2-CE1 3.59Å; F100-F125 HydrophobicContact CE2-CE1 3.59Å; F100-F125 AromaticContact CZ-CD1 3.61Å; F100-F125 HydrophobicContact CZ-CD1 3.61Å; F100-F125 HydrophobicContact CZ-CE1 4.04Å; F100-A126 HydrophobicContact CD1-CB 3.55Å; F100-A126 HydrophobicContact CE1-CB 3.91Å; F100-L129 HydrophobicContact CB-CD1 3.82Å; F100-L129 HydrophobicContact CD2-CD1 3.44Å; F100-L129 VanDerWaalsContact CD2-CD1 3.44Å; F100-L129 HydrophobicContact CE2-CD1 4.2Å; F100-L129 HydrophobicContact CG-CD1 3.75Å; F100-L174 HydrophobicContact CZ-CD2 4.42Å; F100-L178 HydrophobicContact CZ-CD1 3.93Å
101	A	93.5	Very high	91.6	Very high	78 Å²	78	30.5 Å²	30.5	65%	0.645	17%	0.166	S	C	*	.	H	α-helix	trans	-62.3	-39.4	178.1	0	0	0	0	0	112.6	K97 S103	K97-A101 WeakPolarHBondContact O-CB 3.47Å; K97-A101 PolarHBondContact O-N 3.15Å; A101-S103 PolarHBondContact O-N 2.9Å
102	K	92.8	Very high	89.9	Confident	96 Å²	96	30.9 Å²	30.9	42%	0.417	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.1	175.6	-63.8	171.4	-174.8	169.2	0	112.9	S98 F100 Y104 E673	S98-K102 WeakPolarHBondContact O-CB 3.49Å; S98-K102 VanDerWaalsContact O-CG 3.27Å; S98-K102 WeakPolarHBondContact O-CG 3.32Å; S98-K102 PolarHBondContact O-N 2.78Å; F100-K102 VanDerWaalsContact C-N 3.34Å; F100-K102 PolarHBondContact O-N 3.13Å; K102-Y104 HydrophobicContact CB-CD2 3.71Å; K102-Y104 HydrophobicContact CB-CE2 3.65Å; K102-Y104 HydrophobicContact CD-CE2 3.77Å; K102-Y104 HydrophobicContact CG-CE2 4.31Å; K102-Y104 PolarHBondContact O-N 2.96Å; K102-E673 IonicContact NZ-OE1 3.25Å; K102-E673 IonicContact NZ-OE2 2.67Å; K102-E673 PolarHBondContact NZ-OE2 3.03Å
103	S	92.7	Very high	87.9	Confident	42 Å²	42	38.3 Å²	38.3	29%	0.294	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	28.6	178.5	-56.7	0	0	0	0	114.6	Y99 F100 A101 Y105 V106	Y99-S103 PolarHBondContact O-N 2.97Å; F100-S103 PolarHBondContact O-N 2.58Å; A101-S103 PolarHBondContact O-N 2.9Å; S103-Y105 PolarHBondContact O-N 3.24Å; S103-V106 PolarHBondContact O-N 3.22Å
104	Y	92.4	Very high	86	Confident	47 Å²	47	42.7 Å²	42.7	18%	0.184	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-34.3	175.9	-76.9	-61.2	0	0	0	111.7	Y99 K102 V106 Q107 D108 F719 Y722	Y99-Y104 HydrophobicContact CD2-CD2 4.35Å; Y99-Y104 HydrophobicContact CD2-CG 4.26Å; Y99-Y104 VanDerWaalsContact CE2-CB 3.46Å; Y99-Y104 PolarHBondContact O-N 3.37Å; K102-Y104 HydrophobicContact CB-CD2 3.71Å; K102-Y104 HydrophobicContact CB-CE2 3.65Å; K102-Y104 HydrophobicContact CD-CE2 3.77Å; K102-Y104 HydrophobicContact CG-CE2 4.31Å; K102-Y104 PolarHBondContact O-N 2.96Å; Y104-V106 VanDerWaalsContact C-N 3.26Å; Y104-V106 PolarHBondContact O-N 2.6Å; Y104-Q107 WeakPolarHBondContact O-CB 3.38Å; Y104-Q107 PolarHBondContact O-N 3Å; Y104-D108 PolarHBondContact O-N 3.13Å; Y104-F719 AromaticContact CD2-CD1 3.97Å; Y104-F719 HydrophobicContact CD2-CD1 3.97Å; Y104-F719 AromaticContact CD2-CE1 3.65Å; Y104-F719 HydrophobicContact CD2-CE1 3.65Å; Y104-F719 HydrophobicContact CD2-CZ 4.39Å; Y104-F719 AromaticContact CE2-CD1 3.59Å; Y104-F719 HydrophobicContact CE2-CD1 3.59Å; Y104-F719 AromaticContact CE2-CE1 3.63Å; Y104-F719 HydrophobicContact CE2-CE1 3.63Å; Y104-F719 HydrophobicContact CE2-CG 4.19Å; Y104-F719 HydrophobicContact CE2-CZ 4.25Å; Y104-Y722 AromaticContact CD1-CE1 3.85Å; Y104-Y722 HydrophobicContact CD1-CE1 3.85Å; Y104-Y722 HydrophobicContact CE1-CE1 4.35Å; Y104-Y722 HydrophobicContact CG-CE1 4.13Å
105	Y	92.9	Very high	84.5	Confident	31 Å²	31	45.2 Å²	45.2	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-36	176.4	82.2	-82.9	0	0	0	114.2	Y99 F100 S103 Q107 D108 L109 I122 A126	Y99-Y105 VanDerWaalsContact CZ-CA 3.46Å; Y99-Y105 VanDerWaalsContact OH-CA 3.27Å; Y99-Y105 WeakPolarHBondContact OH-CA 3.4Å; F100-Y105 AromaticContact CD1-CD1 3.65Å; F100-Y105 HydrophobicContact CD1-CD1 3.65Å; F100-Y105 HydrophobicContact CD1-CD2 4.43Å; F100-Y105 HydrophobicContact CD1-CE1 4.17Å; F100-Y105 AromaticContact CD1-CG 3.8Å; F100-Y105 HydrophobicContact CD1-CG 3.8Å; F100-Y105 HydrophobicContact CE1-CD1 4.21Å; F100-Y105 HydrophobicContact CE1-CD2 4.25Å; F100-Y105 AromaticContact CE1-CG 3.87Å; F100-Y105 HydrophobicContact CE1-CG 3.87Å; F100-Y105 HydrophobicContact CG-CD1 4.48Å; S103-Y105 PolarHBondContact O-N 3.24Å; Y105-Q107 PolarHBondContact O-N 2.64Å; Y105-D108 PolarHBondContact O-N 3.38Å; Y105-L109 HydrophobicContact CD2-CD1 3.69Å; Y105-L109 HydrophobicContact CD2-CG 4.48Å; Y105-L109 HydrophobicContact CE2-CD1 3.99Å; Y105-L109 VanDerWaalsContact O-CG 3.28Å; Y105-L109 WeakPolarHBondContact O-CG 3.15Å; Y105-L109 PolarHBondContact O-N 2.93Å; Y105-I122 HydrophobicContact CD2-CG2 3.86Å; Y105-I122 HydrophobicContact CE2-CG2 4.39Å; Y105-A126 HydrophobicContact CE1-CB 4.1Å; Y105-A126 HydrophobicContact CE2-CB 4.06Å
106	V	90.5	Very high	83.4	Confident	32 Å²	32	46.3 Å²	46.3	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-36.5	177.9	-179.5	0	0	0	0	110.3	S103 Y104 L109 V110	S103-V106 PolarHBondContact O-N 3.22Å; Y104-V106 VanDerWaalsContact C-N 3.26Å; Y104-V106 PolarHBondContact O-N 2.6Å; V106-L109 PolarHBondContact O-N 3.25Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.34Å; V106-V110 PolarHBondContact O-N 2.95Å
107	Q	86.6	Confident	82.5	Confident	75 Å²	75	49.4 Å²	49.4	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-74	-35.2	-177.9	-43.3	-177.7	22.8	0	0	111.9	Y104 Y105 N111 R726	Y104-Q107 WeakPolarHBondContact O-CB 3.38Å; Y104-Q107 PolarHBondContact O-N 3Å; Y105-Q107 PolarHBondContact O-N 2.64Å; Q107-N111 PolarHBondContact O-N 3Å; Q107-R726 VanDerWaalsContact OE1-CZ 3.26Å; Q107-R726 VanDerWaalsContact OE1-NH2 3.12Å
108	D	88.8	Confident	82.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.6	-33.7	173.8	-68.6	-18.5	0	0	0	111.4	Y99 Y104 Y105 Y722 R726	Y99-D108 PolarHBondContact OH-OD2 3.06Å; Y104-D108 PolarHBondContact O-N 3.13Å; Y105-D108 PolarHBondContact O-N 3.38Å; D108-Y722 PolarHBondContact OD1-OH 3.25Å; D108-Y722 PolarHBondContact OD2-OH 3.05Å; D108-R726 WeakPolarHBondContact OD1-CD 3.41Å; D108-R726 IonicContact OD1-NE 2.85Å
109	L	86.3	Confident	81.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-45.3	173.8	-71.7	175.7	0	0	0	112.8	Y105 V106 N111 T112 M119 I122 L178	Y105-L109 HydrophobicContact CD2-CD1 3.69Å; Y105-L109 HydrophobicContact CD2-CG 4.48Å; Y105-L109 HydrophobicContact CE2-CD1 3.99Å; Y105-L109 VanDerWaalsContact O-CG 3.28Å; Y105-L109 WeakPolarHBondContact O-CG 3.15Å; Y105-L109 PolarHBondContact O-N 2.93Å; V106-L109 PolarHBondContact O-N 3.25Å; L109-N111 VanDerWaalsContact C-N 3.27Å; L109-N111 PolarHBondContact O-N 3.38Å; L109-T112 PolarHBondContact O-N 2.84Å; L109-T112 VanDerWaalsContact O-N 3.1Å; L109-T112 PolarHBondContact O-OG1 2.97Å; L109-M119 HydrophobicContact CB-CE 4.25Å; L109-M119 HydrophobicContact CD1-CE 4.12Å; L109-M119 HydrophobicContact CD1-SD 3.61Å; L109-M119 HydrophobicContact CD2-CE 3.65Å; L109-M119 HydrophobicContact CD2-SD 3.83Å; L109-M119 HydrophobicContact CG-CE 4.21Å; L109-M119 HydrophobicContact CG-SD 4.26Å; L109-I122 HydrophobicContact CD1-CG2 4.13Å; L109-I122 HydrophobicContact CD2-CD1 3.99Å; L109-L178 HydrophobicContact CD2-CD2 4.26Å; L109-L178 HydrophobicContact CG-CD2 4.35Å
110	V	79.4	Confident	81.6	Confident	80 Å²	80	55 Å²	55	49%	0.485	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-33.1	-178.1	168.2	0	0	0	0	112.4	V46 V106 T112	V46-V110 HydrophobicContact CG2-CG2 3.95Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.34Å; V106-V110 PolarHBondContact O-N 2.95Å; V110-T112 PolarHBondContact O-N 2.86Å
111	N	67.9	Low	81.4	Confident	88 Å²	88	55 Å²	55	47%	0.471	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.6	178.4	-76.4	-10.2	0	0	0	113.6	Q107 L109	Q107-N111 PolarHBondContact O-N 3Å; L109-N111 VanDerWaalsContact C-N 3.27Å; L109-N111 PolarHBondContact O-N 3.38Å
112	T	63.7	Low	81.5	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.049	29%	0.288	C	S	.	.	S	Bend	trans	-102.3	121.8	-179.3	65.8	0	0	0	0	109.5	L109 V110 S114 K179	L109-T112 PolarHBondContact O-N 2.84Å; L109-T112 VanDerWaalsContact O-N 3.1Å; L109-T112 PolarHBondContact O-OG1 2.97Å; V110-T112 PolarHBondContact O-N 2.86Å; T112-S114 PolarHBondContact O-N 3.18Å; T112-K179 WeakPolarHBondContact CG2-O 3.41Å
113	N	54.7	Low	81.5	Confident	161 Å²	161	48.5 Å²	48.5	86%	0.861	28%	0.28	S	S	*	.			trans	-48.7	121.7	176.5	-81.9	-21.9	0	0	0	109.7	G115	N113-G115 PolarHBondContact O-N 3.38Å
114	S	54.9	Low	81.6	Confident	92 Å²	92	46.8 Å²	46.8	64%	0.643	27%	0.268	S	S	*	.	S	Bend	trans	-38.2	115.9	-171.5	48.8	0	0	0	0	114.2	T112	T112-S114 PolarHBondContact O-N 3.18Å
115	G	64.9	Low	81.9	Confident	64 Å²	64	44.5 Å²	44.5	66%	0.66	26%	0.259	S	S	*	.			trans	140.1	19.6	165.9	0	0	0	0	0	118.6	N113	N113-G115 PolarHBondContact O-N 3.38Å
116	R	70.9	Confident	82	Confident	26 Å²	26	43.5 Å²	43.5	10%	0.098	26%	0.258	C	S	.	.			trans	-61.9	127.5	173.9	-72.3	-158.2	-160.1	-126.8	6.5	110.5	Q118 M119 E176 K179 Q181 Q182	R116-Q118 PolarHBondContact O-N 3.26Å; R116-Q118 VanDerWaalsContact O-N 3.08Å; R116-M119 WeakPolarHBondContact O-CB 3.35Å; R116-M119 PolarHBondContact O-N 3.23Å; R116-E176 WeakPolarHBondContact CD-O 3.41Å; R116-E176 VanDerWaalsContact CZ-O 3.32Å; R116-E176 PolarHBondContact NH1-O 2.69Å; R116-K179 PolarHBondContact NH2-O 3.47Å; R116-K179 VanDerWaalsContact NH2-O 3.13Å; R116-Q181 PolarHBondContact NH2-O 2.9Å; R116-Q182 VanDerWaalsContact NH2-NE2 3.12Å
117	P	77.6	Confident	82.3	Confident	66 Å²	66	45 Å²	45	43%	0.429	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.4	-179.1	22	-31.5	0	0	0	113.5	L30 M119	L30-P117 HydrophobicContact CB-CB 3.96Å; L30-P117 HydrophobicContact CD2-CB 4.14Å; P117-M119 VanDerWaalsContact C-N 3.3Å; P117-M119 PolarHBondContact O-N 3.3Å
118	Q	87.5	Confident	82.8	Confident	41 Å²	41	41.9 Å²	41.9	19%	0.192	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.3	-179.9	-57.7	82	1.3	0	0	114.1	R116 K120 V121 I122 C173 E176	R116-Q118 PolarHBondContact O-N 3.26Å; R116-Q118 VanDerWaalsContact O-N 3.08Å; Q118-K120 VanDerWaalsContact C-N 3.25Å; Q118-K120 PolarHBondContact O-N 2.8Å; Q118-K120 VanDerWaalsContact O-N 3.16Å; Q118-V121 PolarHBondContact O-N 2.8Å; Q118-I122 HydrophobicContact CB-CD1 4.41Å; Q118-I122 PolarHBondContact O-N 3.13Å; Q118-I122 VanDerWaalsContact O-N 3.09Å; Q118-C173 WeakPolarHBondContact CB-O 3.17Å; Q118-C173 HydrophobicContact CG-CB 4.42Å; Q118-C173 WeakPolarHBondContact CG-O 3.43Å; Q118-E176 HydrophobicContact CG-CB 4.33Å
119	M	88.3	Confident	83.1	Confident	32 Å²	32	42.2 Å²	42.2	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-52	-42.5	-174.7	-177.9	65.5	73.1	0	0	112.9	L109 R116 P117 V121 I122 C123	L109-M119 HydrophobicContact CB-CE 4.25Å; L109-M119 HydrophobicContact CD1-CE 4.12Å; L109-M119 HydrophobicContact CD1-SD 3.61Å; L109-M119 HydrophobicContact CD2-CE 3.65Å; L109-M119 HydrophobicContact CD2-SD 3.83Å; L109-M119 HydrophobicContact CG-CE 4.21Å; L109-M119 HydrophobicContact CG-SD 4.26Å; R116-M119 WeakPolarHBondContact O-CB 3.35Å; R116-M119 PolarHBondContact O-N 3.23Å; P117-M119 VanDerWaalsContact C-N 3.3Å; P117-M119 PolarHBondContact O-N 3.3Å; M119-V121 PolarHBondContact O-N 2.8Å; M119-I122 PolarHBondContact O-N 2.74Å; M119-C123 PolarHBondContact O-N 3.12Å; M119-C123 PolarHBondContact O-SG 3.09Å; M119-C123 VanDerWaalsContact O-SG 3.38Å
120	K	91	Very high	83.5	Confident	81 Å²	81	48 Å²	48	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-45.3	179.7	-66.3	-177.3	177.6	-178.7	0	111.8	Q118 I122 C123 A124 L147	Q118-K120 VanDerWaalsContact C-N 3.25Å; Q118-K120 PolarHBondContact O-N 2.8Å; Q118-K120 VanDerWaalsContact O-N 3.16Å; K120-I122 VanDerWaalsContact C-N 3.33Å; K120-I122 PolarHBondContact O-N 3.19Å; K120-C123 PolarHBondContact O-N 3.49Å; K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.74Å; K120-L147 HydrophobicContact CB-CD1 3.69Å; K120-L147 HydrophobicContact CB-CD2 3.89Å; K120-L147 HydrophobicContact CB-CG 4.45Å; K120-L147 HydrophobicContact CD-CD2 3.9Å
121	V	93.2	Very high	84.2	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.8	-179.5	0	0	0	0	110.4	Q118 M119 A124 F125 L147 L148 L170 C173	Q118-V121 PolarHBondContact O-N 2.8Å; M119-V121 PolarHBondContact O-N 2.8Å; V121-A124 PolarHBondContact O-N 3.39Å; V121-F125 VanDerWaalsContact O-CB 3.28Å; V121-F125 WeakPolarHBondContact O-CB 3.32Å; V121-F125 PolarHBondContact O-N 2.72Å; V121-L147 HydrophobicContact CG2-CB 3.76Å; V121-L147 HydrophobicContact CG2-CD1 4.33Å; V121-L148 HydrophobicContact CG1-CD2 4.08Å; V121-L148 HydrophobicContact CG1-CG 4.2Å; V121-L148 HydrophobicContact CG2-CD2 4.19Å; V121-L148 HydrophobicContact CG2-CG 4.42Å; V121-L170 HydrophobicContact CG1-CD1 4.17Å; V121-C173 HydrophobicContact CG1-CB 4.25Å
122	I	94.8	Very high	85.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-46.7	178.3	-69.3	167.7	0	0	0	111.5	F100 Y105 L109 Q118 M119 K120 F125 A126 L174 G177 L178	F100-I122 HydrophobicContact CE1-CG2 4.33Å; Y105-I122 HydrophobicContact CD2-CG2 3.86Å; Y105-I122 HydrophobicContact CE2-CG2 4.39Å; L109-I122 HydrophobicContact CD1-CG2 4.13Å; L109-I122 HydrophobicContact CD2-CD1 3.99Å; Q118-I122 HydrophobicContact CB-CD1 4.41Å; Q118-I122 PolarHBondContact O-N 3.13Å; Q118-I122 VanDerWaalsContact O-N 3.09Å; M119-I122 PolarHBondContact O-N 2.74Å; K120-I122 VanDerWaalsContact C-N 3.33Å; K120-I122 PolarHBondContact O-N 3.19Å; I122-F125 PolarHBondContact O-N 2.91Å; I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.39Å; I122-L174 HydrophobicContact CG1-CD2 3.93Å; I122-G177 VanDerWaalsContact CD1-C 3.44Å; I122-G177 VanDerWaalsContact CD1-CA 3.46Å; I122-L178 HydrophobicContact CD1-CD2 3.79Å; I122-L178 HydrophobicContact CD1-CG 3.74Å; I122-L178 HydrophobicContact CG1-CD2 4.38Å; I122-L178 HydrophobicContact CG1-CG 4.25Å; I122-L178 HydrophobicContact CG2-CD2 3.97Å
123	C	93.3	Very high	87	Confident	39 Å²	39	43.3 Å²	43.3	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-43.9	177.6	-70.4	0	0	0	0	111.6	M119 K120 A126 S127	M119-C123 PolarHBondContact O-N 3.12Å; M119-C123 PolarHBondContact O-SG 3.09Å; M119-C123 VanDerWaalsContact O-SG 3.38Å; K120-C123 PolarHBondContact O-N 3.49Å; C123-A126 PolarHBondContact O-N 2.87Å; C123-S127 WeakPolarHBondContact O-CB 3.34Å; C123-S127 PolarHBondContact O-N 3.11Å
124	A	95	Very high	88.8	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-45.5	175.9	0	0	0	0	0	111.2	K120 V121 S127 F128 E143 I144 L147	K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.74Å; V121-A124 PolarHBondContact O-N 3.39Å; A124-S127 PolarHBondContact O-N 2.66Å; A124-F128 WeakPolarHBondContact O-CB 3.39Å; A124-F128 PolarHBondContact O-N 3.4Å; A124-E143 HydrophobicContact CB-CB 4.26Å; A124-E143 HydrophobicContact CB-CG 3.78Å; A124-I144 HydrophobicContact CB-CG1 3.81Å; A124-L147 HydrophobicContact CB-CD1 4.1Å
125	F	97.3	Very high	90.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-40.7	177.3	-170.2	-102.7	0	0	0	112.9	L87 L90 L96 F100 V121 I122 F128 L129 I144 L170 L174	L87-F125 HydrophobicContact CD2-CD2 4.15Å; L87-F125 HydrophobicContact CD2-CE2 3.86Å; L90-F125 HydrophobicContact CB-CZ 4.45Å; L96-F125 HydrophobicContact CD1-CZ 4.4Å; F100-F125 HydrophobicContact CD2-CD1 4.25Å; F100-F125 HydrophobicContact CD2-CE1 4.07Å; F100-F125 HydrophobicContact CE1-CD1 4.18Å; F100-F125 AromaticContact CE2-CD1 3.66Å; F100-F125 HydrophobicContact CE2-CD1 3.66Å; F100-F125 AromaticContact CE2-CE1 3.59Å; F100-F125 HydrophobicContact CE2-CE1 3.59Å; F100-F125 AromaticContact CZ-CD1 3.61Å; F100-F125 HydrophobicContact CZ-CD1 3.61Å; F100-F125 HydrophobicContact CZ-CE1 4.04Å; V121-F125 VanDerWaalsContact O-CB 3.28Å; V121-F125 WeakPolarHBondContact O-CB 3.32Å; V121-F125 PolarHBondContact O-N 2.72Å; I122-F125 PolarHBondContact O-N 2.91Å; F125-F128 HydrophobicContact CD2-CD1 4.36Å; F125-F128 HydrophobicContact CE2-CD1 4.42Å; F125-F128 WeakPolarHBondContact O-CB 3.48Å; F125-F128 PolarHBondContact O-N 3.05Å; F125-L129 HydrophobicContact CD1-CD1 3.96Å; F125-L129 HydrophobicContact CD1-CG 4.3Å; F125-L129 HydrophobicContact CE1-CD1 3.42Å; F125-L129 VanDerWaalsContact CE1-CD1 3.42Å; F125-L129 HydrophobicContact CE1-CG 3.94Å; F125-L129 HydrophobicContact CZ-CD1 3.94Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 HydrophobicContact CZ-CG 4.1Å; F125-L129 WeakPolarHBondContact O-CG 3.41Å; F125-L129 PolarHBondContact O-N 3.19Å; F125-I144 HydrophobicContact CB-CD1 4.4Å; F125-I144 HydrophobicContact CD2-CD1 4.08Å; F125-L170 HydrophobicContact CD2-CD1 4.2Å; F125-L170 HydrophobicContact CD2-CD2 4.45Å; F125-L170 HydrophobicContact CE2-CD2 4.18Å; F125-L174 HydrophobicContact CB-CD2 4.2Å; F125-L174 HydrophobicContact CD1-CD1 3.97Å; F125-L174 HydrophobicContact CD1-CD2 4.04Å; F125-L174 HydrophobicContact CE1-CD1 3.89Å; F125-L174 HydrophobicContact CG-CD1 4.3Å; F125-L174 HydrophobicContact CG-CD2 4.19Å; F125-L174 HydrophobicContact CZ-CD1 4.19Å
126	A	96.6	Very high	91.6	Very high	10 Å²	10	39.2 Å²	39.2	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-44.1	175.4	0	0	0	0	0	112	F100 Y105 I122 C123 K130	F100-A126 HydrophobicContact CD1-CB 3.55Å; F100-A126 HydrophobicContact CE1-CB 3.91Å; Y105-A126 HydrophobicContact CE1-CB 4.1Å; Y105-A126 HydrophobicContact CE2-CB 4.06Å; I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.39Å; C123-A126 PolarHBondContact O-N 2.87Å; A126-K130 PolarHBondContact O-N 3.12Å; A126-K130 VanDerWaalsContact O-N 3.15Å
127	S	95.5	Very high	92.6	Very high	63 Å²	63	44.7 Å²	44.7	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-47.2	175.1	-172	0	0	0	0	110.9	C123 A124 L129 K130 E131	C123-S127 WeakPolarHBondContact O-CB 3.34Å; C123-S127 PolarHBondContact O-N 3.11Å; A124-S127 PolarHBondContact O-N 2.66Å; S127-L129 PolarHBondContact O-N 2.9Å; S127-K130 WeakPolarHBondContact O-CB 3.28Å; S127-K130 PolarHBondContact O-N 2.9Å; S127-E131 WeakPolarHBondContact O-CG 3.37Å; S127-E131 PolarHBondContact O-N 2.95Å
128	F	96.6	Very high	93.3	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-54.9	-51.9	175.8	167.6	-97.9	0	0	0	112.4	L74 L87 A91 A124 F125 K130 E131 M132 A141 I144	L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.13Å; L74-F128 HydrophobicContact CD2-CE2 3.62Å; L74-F128 HydrophobicContact CD2-CZ 4.28Å; L87-F128 HydrophobicContact CB-CE1 3.95Å; L87-F128 HydrophobicContact CB-CZ 3.67Å; L87-F128 HydrophobicContact CD1-CE2 4.4Å; L87-F128 HydrophobicContact CD1-CZ 4.26Å; L87-F128 HydrophobicContact CD2-CE1 4.12Å; L87-F128 HydrophobicContact CD2-CZ 4.48Å; L87-F128 HydrophobicContact CG-CE1 4.47Å; L87-F128 HydrophobicContact CG-CZ 4.37Å; A91-F128 HydrophobicContact CB-CE1 4.31Å; A124-F128 WeakPolarHBondContact O-CB 3.39Å; A124-F128 PolarHBondContact O-N 3.4Å; F125-F128 HydrophobicContact CD2-CD1 4.36Å; F125-F128 HydrophobicContact CE2-CD1 4.42Å; F125-F128 WeakPolarHBondContact O-CB 3.48Å; F125-F128 PolarHBondContact O-N 3.05Å; F128-K130 VanDerWaalsContact C-N 3.27Å; F128-K130 PolarHBondContact O-N 3.05Å; F128-E131 PolarHBondContact O-N 3.38Å; F128-E131 VanDerWaalsContact O-N 3.13Å; F128-M132 HydrophobicContact CD1-CG 4.22Å; F128-M132 HydrophobicContact CD2-CG 4.2Å; F128-M132 HydrophobicContact CE1-CG 3.76Å; F128-M132 HydrophobicContact CE2-CG 3.75Å; F128-M132 HydrophobicContact CE2-SD 3.86Å; F128-M132 HydrophobicContact CG-CG 4.41Å; F128-M132 HydrophobicContact CZ-CG 3.48Å; F128-M132 VanDerWaalsContact CZ-CG 3.48Å; F128-M132 HydrophobicContact CZ-SD 3.81Å; F128-M132 VanDerWaalsContact O-CG 3.31Å; F128-M132 WeakPolarHBondContact O-CG 3.21Å; F128-M132 PolarHBondContact O-N 3.22Å; F128-A141 HydrophobicContact CD2-CB 4.08Å; F128-A141 HydrophobicContact CE2-CB 3.92Å; F128-I144 HydrophobicContact CB-CD1 3.59Å; F128-I144 HydrophobicContact CD1-CD1 4.05Å; F128-I144 HydrophobicContact CD2-CD1 4.18Å; F128-I144 HydrophobicContact CG-CD1 3.67Å
129	L	96.7	Very high	93.7	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-38	178.7	-75.9	-177.1	0	0	0	112.2	A91 F100 F125 S127 M132 W133	A91-L129 HydrophobicContact CB-CD2 3.68Å; F100-L129 HydrophobicContact CB-CD1 3.82Å; F100-L129 HydrophobicContact CD2-CD1 3.44Å; F100-L129 VanDerWaalsContact CD2-CD1 3.44Å; F100-L129 HydrophobicContact CE2-CD1 4.2Å; F100-L129 HydrophobicContact CG-CD1 3.75Å; F125-L129 HydrophobicContact CD1-CD1 3.96Å; F125-L129 HydrophobicContact CD1-CG 4.3Å; F125-L129 HydrophobicContact CE1-CD1 3.42Å; F125-L129 VanDerWaalsContact CE1-CD1 3.42Å; F125-L129 HydrophobicContact CE1-CG 3.94Å; F125-L129 HydrophobicContact CZ-CD1 3.94Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 HydrophobicContact CZ-CG 4.1Å; F125-L129 WeakPolarHBondContact O-CG 3.41Å; F125-L129 PolarHBondContact O-N 3.19Å; S127-L129 PolarHBondContact O-N 2.9Å; L129-M132 PolarHBondContact O-N 3.18Å; L129-W133 VanDerWaalsContact O-CD1 3.29Å; L129-W133 PolarHBondContact O-N 3.38Å
130	K	94.1	Very high	93.9	Very high	126 Å²	126	45.7 Å²	45.7	55%	0.548	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-43.6	175.7	-176.5	-179.7	171.4	-174.9	0	111.5	A126 S127 F128 W133 S134	A126-K130 PolarHBondContact O-N 3.12Å; A126-K130 VanDerWaalsContact O-N 3.15Å; S127-K130 WeakPolarHBondContact O-CB 3.28Å; S127-K130 PolarHBondContact O-N 2.9Å; F128-K130 VanDerWaalsContact C-N 3.27Å; F128-K130 PolarHBondContact O-N 3.05Å; K130-W133 CarbonylContact O-C 3.44Å; K130-W133 PolarHBondContact O-N 3.09Å; K130-S134 WeakPolarHBondContact O-CB 3.33Å; K130-S134 PolarHBondContact O-N 3.06Å; K130-S134 VanDerWaalsContact O-N 3.08Å
131	E	94.6	Very high	93.9	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-42	177.5	-69.1	-60.4	153	0	0	111.9	S127 F128 W133 S134 R136	S127-E131 WeakPolarHBondContact O-CG 3.37Å; S127-E131 PolarHBondContact O-N 2.95Å; F128-E131 PolarHBondContact O-N 3.38Å; F128-E131 VanDerWaalsContact O-N 3.13Å; E131-W133 PolarHBondContact O-N 3.03Å; E131-S134 WeakPolarHBondContact O-CB 3.37Å; E131-S134 PolarHBondContact O-N 3.3Å; E131-S134 VanDerWaalsContact O-N 3.12Å; E131-S134 PolarHBondContact O-OG 2.92Å; E131-R136 IonicContact OE1-NH2 3.51Å; E131-R136 WeakPolarHBondContact OE2-CD 3.25Å; E131-R136 IonicContact OE2-CZ 3.82Å; E131-R136 IonicContact OE2-NE 3.23Å; E131-R136 PolarHBondContact OE2-NE 3.11Å; E131-R136 IonicContact OE2-NH2 2.88Å; E131-R136 PolarHBondContact OE2-NH2 3.1Å
132	M	95.6	Very high	93.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-54.5	-37.3	174.7	-74.7	-57.1	-63.6	0	0	113.1	G70 T72 L74 A91 F128 L129 T139	G70-M132 WeakPolarHBondContact CA-O 3.36Å; G70-M132 PolarHBondContact N-O 3.24Å; T72-M132 HydrophobicContact CG2-SD 3.94Å; T72-M132 WeakPolarHBondContact O-CE 3.5Å; T72-M132 PolarHBondContact OG1-O 3.42Å; L74-M132 HydrophobicContact CD2-SD 3.68Å; L74-M132 HydrophobicContact CG-SD 4.45Å; A91-M132 HydrophobicContact CB-CG 4.4Å; F128-M132 HydrophobicContact CD1-CG 4.22Å; F128-M132 HydrophobicContact CD2-CG 4.2Å; F128-M132 HydrophobicContact CE1-CG 3.76Å; F128-M132 HydrophobicContact CE2-CG 3.75Å; F128-M132 HydrophobicContact CE2-SD 3.86Å; F128-M132 HydrophobicContact CG-CG 4.41Å; F128-M132 HydrophobicContact CZ-CG 3.48Å; F128-M132 VanDerWaalsContact CZ-CG 3.48Å; F128-M132 HydrophobicContact CZ-SD 3.81Å; F128-M132 VanDerWaalsContact O-CG 3.31Å; F128-M132 WeakPolarHBondContact O-CG 3.21Å; F128-M132 PolarHBondContact O-N 3.22Å; L129-M132 PolarHBondContact O-N 3.18Å; M132-T139 HydrophobicContact SD-CG2 3.86Å
133	W	94.5	Very high	93.5	Very high	33 Å²	33	53.8 Å²	53.8	13%	0.125	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	18.1	-178.2	-66	99.8	0	0	0	113.4	L69 A91 N92 K97 L129 K130 E131 L670 V680	L69-W133 HydrophobicContact CB-CE3 4.06Å; L69-W133 HydrophobicContact CB-CZ3 4.43Å; L69-W133 VanDerWaalsContact CD2-O 3.24Å; L69-W133 WeakPolarHBondContact CD2-O 3.33Å; A91-W133 PolarHBondContact O-NE1 2.89Å; N92-W133 WeakPolarHBondContact OD1-CZ2 3.49Å; K97-W133 HydrophobicContact CD-CD2 4.23Å; K97-W133 HydrophobicContact CD-CZ2 4.27Å; K97-W133 HydrophobicContact CG-CG 4.46Å; L129-W133 VanDerWaalsContact O-CD1 3.29Å; L129-W133 PolarHBondContact O-N 3.38Å; K130-W133 CarbonylContact O-C 3.44Å; K130-W133 PolarHBondContact O-N 3.09Å; E131-W133 PolarHBondContact O-N 3.03Å; W133-L670 HydrophobicContact CH2-CB 3.84Å; W133-L670 HydrophobicContact CH2-CD1 4.4Å; W133-L670 HydrophobicContact CH2-CD2 3.57Å; W133-L670 HydrophobicContact CH2-CG 4.12Å; W133-L670 HydrophobicContact CZ2-CB 4.41Å; W133-L670 HydrophobicContact CZ2-CD1 4.27Å; W133-L670 HydrophobicContact CZ2-CD2 4.12Å; W133-L670 HydrophobicContact CZ2-CG 4.5Å; W133-L670 HydrophobicContact CZ3-CD2 3.92Å; W133-V680 HydrophobicContact CH2-CG2 4.32Å; W133-V680 HydrophobicContact CZ3-CG2 4.08Å
134	S	92.3	Very high	93.5	Very high	59 Å²	59	52.1 Å²	52.1	41%	0.413	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.5	-179.9	68	0	0	0	0	114.6	K130 E131 R136	K130-S134 WeakPolarHBondContact O-CB 3.33Å; K130-S134 PolarHBondContact O-N 3.06Å; K130-S134 VanDerWaalsContact O-N 3.08Å; E131-S134 WeakPolarHBondContact O-CB 3.37Å; E131-S134 PolarHBondContact O-N 3.3Å; E131-S134 VanDerWaalsContact O-N 3.12Å; E131-S134 PolarHBondContact O-OG 2.92Å; S134-R136 WeakPolarHBondContact OG-CG 3.3Å; S134-R136 PolarHBondContact OG-N 3.25Å
135	G	89.5	Confident	93.2	Very high	30 Å²	30	52.4 Å²	52.4	31%	0.309	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	7.7	-170.7	0	0	0	0	0	114.4
136	R	89.8	Confident	92.7	Very high	142 Å²	142	54.1 Å²	54.1	54%	0.536	28%	0.275	S	S	.	.			trans	-65	150.5	167.8	-75.3	-173.3	-162.9	-119.9	14.9	111.2	T72 E131 S134	T72-R136 HydrophobicContact CG2-CB 4.44Å; T72-R136 PolarHBondContact OG1-O 2.69Å; E131-R136 IonicContact OE1-NH2 3.51Å; E131-R136 WeakPolarHBondContact OE2-CD 3.25Å; E131-R136 IonicContact OE2-CZ 3.82Å; E131-R136 IonicContact OE2-NE 3.23Å; E131-R136 PolarHBondContact OE2-NE 3.11Å; E131-R136 IonicContact OE2-NH2 2.88Å; E131-R136 PolarHBondContact OE2-NH2 3.1Å; S134-R136 WeakPolarHBondContact OG-CG 3.3Å; S134-R136 PolarHBondContact OG-N 3.25Å
137	K	90.6	Very high	92.4	Very high	142 Å²	142	56.4 Å²	56.4	62%	0.617	29%	0.286	S	S	*	.	S	Bend	trans	-78	-31.8	173.6	-67.2	-173.7	176.7	-176.7	0	112.9	G73	G73-K137 PolarHBondContact N-O 3.43Å
138	T	93.3	Very high	91.9	Very high	58 Å²	58	54.8 Å²	54.8	36%	0.356	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	144.6	-174.4	-47.9	0	0	0	0	110.6	G73 L75 T688	G73-T138 CarbonylContact O-C 3.44Å; G73-T138 VanDerWaalsContact O-CA 3.26Å; G73-T138 WeakPolarHBondContact O-CA 3.44Å; L75-T138 HydrophobicContact CD2-CG2 3.92Å; L75-T138 HydrophobicContact CG-CG2 3.82Å; T138-T688 HydrophobicContact CG2-CG2 3.88Å
139	T	94.9	Very high	91	Very high	24 Å²	24	54.9 Å²	54.9	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	178.9	168.8	-167.8	0	0	0	0	109.3	T72 G73 L74 L75 M132	T72-T139 HydrophobicContact CG2-CG2 3.74Å; G73-T139 PolarHBondContact O-N 2.98Å; L74-T139 CarbonylContact C-O 3.47Å; L74-T139 VanDerWaalsContact CA-O 3.28Å; L74-T139 WeakPolarHBondContact CA-O 3.32Å; L74-T139 HydrophobicContact CD2-CG2 3.43Å; L74-T139 VanDerWaalsContact CD2-CG2 3.43Å; L75-T139 PolarHBondContact N-O 2.82Å; M132-T139 HydrophobicContact SD-CG2 3.86Å
140	D	91.8	Very high	89.6	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	29%	0.291	S	S	.	.			trans	-116.9	167.1	165.6	68.7	83.8	0	0	0	111.1	L75 Y142	L75-D140 HydrophobicContact CB-CB 4.03Å; L75-D140 HydrophobicContact CD1-CB 4.19Å; D140-Y142 VanDerWaalsContact OD1-CB 3.3Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.07Å; D140-Y142 PolarHBondContact OD1-N 2.9Å
141	A	92.2	Very high	87.5	Confident	6 Å²	6	57.6 Å²	57.6	5%	0.05	30%	0.303	C	S	.	.			trans	-120.1	23.6	172.9	0	0	0	0	0	111.6	L87 F128 E143 I144 V145	L87-A141 HydrophobicContact CD1-CB 3.33Å; F128-A141 HydrophobicContact CD2-CB 4.08Å; F128-A141 HydrophobicContact CE2-CB 3.92Å; A141-E143 VanDerWaalsContact C-N 3.3Å; A141-E143 PolarHBondContact O-N 2.75Å; A141-I144 PolarHBondContact O-N 2.96Å; A141-V145 WeakPolarHBondContact O-CG2 3.31Å; A141-V145 PolarHBondContact O-N 3.46Å
142	Y	89.1	Confident	85.3	Confident	146 Å²	146	59.1 Å²	59.1	57%	0.573	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-42.2	-170.6	174.9	-96.3	0	0	0	111.9	D140 I144 V145 A146	D140-Y142 VanDerWaalsContact OD1-CB 3.3Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.07Å; D140-Y142 PolarHBondContact OD1-N 2.9Å; Y142-I144 PolarHBondContact O-N 2.85Å; Y142-V145 PolarHBondContact O-N 2.84Å; Y142-A146 HydrophobicContact CE1-CB 4.22Å; Y142-A146 VanDerWaalsContact O-CB 3.29Å; Y142-A146 WeakPolarHBondContact O-CB 3.37Å; Y142-A146 PolarHBondContact O-N 2.74Å
143	E	90.7	Very high	82.9	Confident	109 Å²	109	67 Å²	67	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-43.1	-179.1	-171.8	178.1	-174.1	0	0	112.4	A124 A141 L147	A124-E143 HydrophobicContact CB-CB 4.26Å; A124-E143 HydrophobicContact CB-CG 3.78Å; A141-E143 VanDerWaalsContact C-N 3.3Å; A141-E143 PolarHBondContact O-N 2.75Å; E143-L147 HydrophobicContact CG-CD1 3.91Å; E143-L147 HydrophobicContact CG-CG 4.48Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 WeakPolarHBondContact O-CD1 3.21Å; E143-L147 WeakPolarHBondContact O-CG 3.47Å; E143-L147 PolarHBondContact O-N 2.86Å
144	I	92	Very high	80.6	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-47.5	178.3	-62.6	164.3	0	0	0	110	L87 A124 F125 F128 A141 Y142 L147 L148 F166 L170	L87-I144 HydrophobicContact CD1-CD1 4.43Å; L87-I144 HydrophobicContact CD2-CD1 4.24Å; A124-I144 HydrophobicContact CB-CG1 3.81Å; F125-I144 HydrophobicContact CB-CD1 4.4Å; F125-I144 HydrophobicContact CD2-CD1 4.08Å; F128-I144 HydrophobicContact CB-CD1 3.59Å; F128-I144 HydrophobicContact CD1-CD1 4.05Å; F128-I144 HydrophobicContact CD2-CD1 4.18Å; F128-I144 HydrophobicContact CG-CD1 3.67Å; A141-I144 PolarHBondContact O-N 2.96Å; Y142-I144 PolarHBondContact O-N 2.85Å; I144-L147 PolarHBondContact O-N 2.89Å; I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 PolarHBondContact O-N 2.74Å; I144-F166 HydrophobicContact CG2-CZ 4.34Å; I144-L170 HydrophobicContact CG2-CD1 4.21Å
145	V	89.6	Confident	78.4	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.067	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-49.1	-179.4	177.9	0	0	0	0	110.2	A83 A141 Y142 L147 L148 C149 F166	A83-V145 HydrophobicContact CB-CG2 3.68Å; A141-V145 WeakPolarHBondContact O-CG2 3.31Å; A141-V145 PolarHBondContact O-N 3.46Å; Y142-V145 PolarHBondContact O-N 2.84Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.44Å; V145-L148 PolarHBondContact O-N 3.19Å; V145-C149 WeakPolarHBondContact O-CB 3.47Å; V145-C149 PolarHBondContact O-N 2.79Å; V145-C149 PolarHBondContact O-SG 3.31Å; V145-F166 HydrophobicContact CG2-CE2 4.2Å; V145-F166 HydrophobicContact CG2-CZ 4.45Å
146	A	87.6	Confident	76.3	Confident	36 Å²	36	76.7 Å²	76.7	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-37.6	179.3	0	0	0	0	0	112.8	Y142 G150	Y142-A146 HydrophobicContact CE1-CB 4.22Å; Y142-A146 VanDerWaalsContact O-CB 3.29Å; Y142-A146 WeakPolarHBondContact O-CB 3.37Å; Y142-A146 PolarHBondContact O-N 2.74Å; A146-G150 WeakPolarHBondContact O-CA 3.49Å; A146-G150 PolarHBondContact O-N 2.87Å
147	L	89.2	Confident	74.3	Confident	59 Å²	59	74.9 Å²	74.9	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-73.9	-35.8	179.5	-72	169.7	0	0	0	113.6	K120 V121 A124 E143 I144 V145	K120-L147 HydrophobicContact CB-CD1 3.69Å; K120-L147 HydrophobicContact CB-CD2 3.89Å; K120-L147 HydrophobicContact CB-CG 4.45Å; K120-L147 HydrophobicContact CD-CD2 3.9Å; V121-L147 HydrophobicContact CG2-CB 3.76Å; V121-L147 HydrophobicContact CG2-CD1 4.33Å; A124-L147 HydrophobicContact CB-CD1 4.1Å; E143-L147 HydrophobicContact CG-CD1 3.91Å; E143-L147 HydrophobicContact CG-CG 4.48Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 WeakPolarHBondContact O-CD1 3.21Å; E143-L147 WeakPolarHBondContact O-CG 3.47Å; E143-L147 PolarHBondContact O-N 2.86Å; I144-L147 PolarHBondContact O-N 2.89Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.44Å
148	L	86	Confident	72.2	Confident	28 Å²	28	70.2 Å²	70.2	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-80.7	-40.5	179.5	-75.5	174.8	0	0	0	112.6	V121 I144 V145 F166 L170 C173	V121-L148 HydrophobicContact CG1-CD2 4.08Å; V121-L148 HydrophobicContact CG1-CG 4.2Å; V121-L148 HydrophobicContact CG2-CD2 4.19Å; V121-L148 HydrophobicContact CG2-CG 4.42Å; I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 PolarHBondContact O-N 2.74Å; V145-L148 PolarHBondContact O-N 3.19Å; L148-F166 HydrophobicContact CD1-CD2 4.45Å; L148-F166 HydrophobicContact CD1-CE2 3.85Å; L148-F166 HydrophobicContact CD1-CZ 4.21Å; L148-L170 HydrophobicContact CD1-CB 3.67Å; L148-L170 HydrophobicContact CD1-CD1 3.8Å; L148-L170 HydrophobicContact CD1-CG 4.25Å; L148-C173 HydrophobicContact CD2-CB 3.86Å; L148-C173 WeakPolarHBondContact CD2-SG 3.12Å
149	C	77.6	Confident	69.9	Low	12 Å²	12	69.8 Å²	69.8	8%	0.081	38%	0.376	C	S	.	.	H	α-helix	trans	-83.2	-23.6	-178.6	-59.2	0	0	0	0	111.4	V145 N152 F155	V145-C149 WeakPolarHBondContact O-CB 3.47Å; V145-C149 PolarHBondContact O-N 2.79Å; V145-C149 PolarHBondContact O-SG 3.31Å; C149-N152 WeakPolarHBondContact O-CB 3.46Å; C149-F155 HydrophobicContact CB-CB 3.73Å; C149-F155 HydrophobicContact CB-CD1 3.76Å; C149-F155 HydrophobicContact CB-CD2 3.54Å; C149-F155 HydrophobicContact CB-CE1 4.22Å; C149-F155 HydrophobicContact CB-CE2 4.03Å; C149-F155 HydrophobicContact CB-CG 3.41Å; C149-F155 VanDerWaalsContact CB-CG 3.41Å; C149-F155 HydrophobicContact CB-CZ 4.35Å; C149-F155 WeakPolarHBondContact O-CD2 2.91Å; C149-F155 WeakPolarHBondContact O-CE2 3.31Å
150	G	66.4	Low	67.6	Low	38 Å²	38	71.4 Å²	71.4	39%	0.392	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-168	-174.8	0	0	0	0	0	112.8	A146 N152	A146-G150 WeakPolarHBondContact O-CA 3.49Å; A146-G150 PolarHBondContact O-N 2.87Å; G150-N152 PolarHBondContact O-N 2.71Å
151	D	50	Low	66.2	Low	151 Å²	151	69 Å²	69	81%	0.807	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	15.1	166.7	-67.9	-39	0	0	0	112	E153	D151-E153 PolarHBondContact O-N 3.24Å; D151-E153 VanDerWaalsContact O-N 3.1Å
152	N	48.2	Very low	65.4	Low	76 Å²	76	71.4 Å²	71.4	41%	0.406	38%	0.38	S	S	.	.			trans	-59.8	122.2	-175	-150	-13.4	0	0	0	108.2	C149 G150 F154 F155	C149-N152 WeakPolarHBondContact O-CB 3.46Å; G150-N152 PolarHBondContact O-N 2.71Å; N152-F154 PolarHBondContact O-N 3.13Å; N152-F155 HydrophobicContact CB-CD2 3.83Å; N152-F155 HydrophobicContact CB-CE2 4.35Å; N152-F155 PolarHBondContact O-N 2.85Å
153	E	46.4	Very low	65.3	Low	168 Å²	168	64.4 Å²	64.4	79%	0.785	35%	0.353	S	S	*	.	H	α-helix	trans	-55.4	-26	-175.5	-69.6	-179.2	163	0	0	112	D151 F155 N156 D157	D151-E153 PolarHBondContact O-N 3.24Å; D151-E153 VanDerWaalsContact O-N 3.1Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 3.05Å; E153-N156 PolarHBondContact O-N 3.37Å; E153-D157 PolarHBondContact O-N 2.89Å
154	F	45.4	Very low	65.1	Low	154 Å²	154	61.9 Å²	61.9	68%	0.675	34%	0.341	S	S	*	.	H	α-helix	trans	-59.1	-34.2	172	-69.7	-76.7	0	0	0	113.7	N152 H161	N152-F154 PolarHBondContact O-N 3.13Å; F154-H161 PolarHBondContact O-CE1 3.2Å
155	F	47.3	Very low	64.8	Low	46 Å²	46	65.5 Å²	65.5	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-88.4	-20.7	179.7	-66.4	-76.7	0	0	0	114.2	C149 N152 E153 H161	C149-F155 HydrophobicContact CB-CB 3.73Å; C149-F155 HydrophobicContact CB-CD1 3.76Å; C149-F155 HydrophobicContact CB-CD2 3.54Å; C149-F155 HydrophobicContact CB-CE1 4.22Å; C149-F155 HydrophobicContact CB-CE2 4.03Å; C149-F155 HydrophobicContact CB-CG 3.41Å; C149-F155 VanDerWaalsContact CB-CG 3.41Å; C149-F155 HydrophobicContact CB-CZ 4.35Å; C149-F155 WeakPolarHBondContact O-CD2 2.91Å; C149-F155 WeakPolarHBondContact O-CE2 3.31Å; N152-F155 HydrophobicContact CB-CD2 3.83Å; N152-F155 HydrophobicContact CB-CE2 4.35Å; N152-F155 PolarHBondContact O-N 2.85Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 3.05Å; F155-H161 WeakPolarHBondContact CA-NE2 3.26Å; F155-H161 AromaticContact CD1-CD2 3.75Å; F155-H161 AromaticContact CD1-CE1 3.64Å; F155-H161 AromaticContact CD1-CG 3.57Å; F155-H161 AromaticContact CD1-ND1 3.49Å; F155-H161 WeakPolarHBondContact CD1-ND1 3.45Å; F155-H161 AromaticContact CD1-NE2 3.78Å; F155-H161 HydrophobicContact CE1-CB 4.5Å; F155-H161 AromaticContact CE1-CG 3.93Å; F155-H161 AromaticContact CE1-ND1 3.77Å; F155-H161 PolarHBondContact O-NE2 2.87Å
156	N	45.1	Very low	64.9	Low	124 Å²	124	65.4 Å²	65.4	66%	0.663	36%	0.356	S	S	*	.	H	α-helix	trans	-102.8	5.1	-171	-137.1	0.8	0	0	0	113.6	E153 G158	E153-N156 PolarHBondContact O-N 3.37Å; N156-G158 PolarHBondContact O-N 3.27Å
157	D	48.1	Very low	65.2	Low	104 Å²	104	63.7 Å²	63.7	56%	0.556	34%	0.342	S	S	*	.	S	Bend	trans	-80.7	-0.3	178.8	72.9	-12.3	0	0	0	113.6	E153 S159	E153-D157 PolarHBondContact O-N 2.89Å; D157-S159 VanDerWaalsContact C-N 3.25Å; D157-S159 VanDerWaalsContact CG-OG 3.32Å; D157-S159 PolarHBondContact O-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CA 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.39Å; D157-S159 PolarHBondContact OD1-N 2.88Å; D157-S159 PolarHBondContact OD1-OG 3.38Å; D157-S159 PolarHBondContact OD2-OG 3.02Å
158	G	46.4	Very low	65.3	Low	45 Å²	45	61.7 Å²	61.7	46%	0.464	33%	0.333	S	S	.	.	S	Bend	trans	76.7	7.1	-176.1	0	0	0	0	0	114	N79 N156	N79-G158 PolarHBondContact ND2-O 3.22Å; N156-G158 PolarHBondContact O-N 3.27Å
159	S	44.3	Very low	65.6	Low	49 Å²	49	63.5 Å²	63.5	34%	0.343	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-73.3	158	171.7	71	0	0	0	0	111.6	D157 H161	D157-S159 VanDerWaalsContact C-N 3.25Å; D157-S159 VanDerWaalsContact CG-OG 3.32Å; D157-S159 PolarHBondContact O-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CA 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.39Å; D157-S159 PolarHBondContact OD1-N 2.88Å; D157-S159 PolarHBondContact OD1-OG 3.38Å; D157-S159 PolarHBondContact OD2-OG 3.02Å; S159-H161 PolarHBondContact O-CD2 3.08Å; S159-H161 PolarHBondContact O-NE2 3.2Å
160	Q	47.4	Very low	66.4	Low	57 Å²	57	63 Å²	63	27%	0.266	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-86.7	131	177.9	-60.6	-172.9	-13.2	0	0	110.5	Y661 G662	Q160-Y661 VanDerWaalsContact OE1-C 3.22Å; Q160-G662 VanDerWaalsContact CD-N 3.27Å; Q160-G662 VanDerWaalsContact NE2-N 3.14Å; Q160-G662 PolarHBondContact NE2-O 3.2Å; Q160-G662 PolarHBondContact OE1-O 2.66Å
161	H	62.2	Low	67.9	Low	26 Å²	26	61.2 Å²	61.2	12%	0.12	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-95.2	152.9	-177.2	-64.4	-62.5	0	0	0	112.2	F82 F154 F155 S159 A163	F82-H161 HydrophobicContact CD1-CB 4.18Å; F82-H161 HydrophobicContact CD2-CB 4.12Å; F82-H161 HydrophobicContact CE1-CB 3.9Å; F82-H161 AromaticContact CE1-CD2 3.92Å; F82-H161 HydrophobicContact CE2-CB 3.84Å; F82-H161 HydrophobicContact CG-CB 4.31Å; F82-H161 HydrophobicContact CZ-CB 3.73Å; F82-H161 AromaticContact CZ-CD2 3.98Å; F154-H161 PolarHBondContact O-CE1 3.2Å; F155-H161 WeakPolarHBondContact CA-NE2 3.26Å; F155-H161 AromaticContact CD1-CD2 3.75Å; F155-H161 AromaticContact CD1-CE1 3.64Å; F155-H161 AromaticContact CD1-CG 3.57Å; F155-H161 AromaticContact CD1-ND1 3.49Å; F155-H161 WeakPolarHBondContact CD1-ND1 3.45Å; F155-H161 AromaticContact CD1-NE2 3.78Å; F155-H161 HydrophobicContact CE1-CB 4.5Å; F155-H161 AromaticContact CE1-CG 3.93Å; F155-H161 AromaticContact CE1-ND1 3.77Å; F155-H161 PolarHBondContact O-NE2 2.87Å; S159-H161 PolarHBondContact O-CD2 3.08Å; S159-H161 PolarHBondContact O-NE2 3.2Å; H161-A163 PolarHBondContact O-N 2.96Å
162	D	74.4	Confident	69.9	Low	57 Å²	57	56.9 Å²	56.9	31%	0.305	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-71	116.3	178.1	-166.3	-25.6	0	0	0	109.8	Q164 E165 F166 Y704	D162-Q164 PolarHBondContact O-N 3.41Å; D162-Q164 VanDerWaalsContact OD1-CB 3.24Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.31Å; D162-Q164 PolarHBondContact OD1-N 3.2Å; D162-E165 HydrophobicContact CB-CB 4.15Å; D162-E165 PolarHBondContact O-N 3.2Å; D162-F166 PolarHBondContact O-N 3.39Å; D162-F166 VanDerWaalsContact O-N 3.13Å; D162-Y704 PolarHBondContact OD1-OH 3.4Å
163	A	87	Confident	72	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-52.9	-27.9	174.1	0	0	0	0	0	112.8	F82 V86 H161 L167 Y664 F705	F82-A163 HydrophobicContact CB-CB 4.16Å; V86-A163 HydrophobicContact CG2-CB 4.02Å; H161-A163 PolarHBondContact O-N 2.96Å; A163-L167 VanDerWaalsContact O-CB 3.26Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 PolarHBondContact O-N 3.21Å; A163-Y664 HydrophobicContact CB-CD1 3.94Å; A163-Y664 HydrophobicContact CB-CE1 3.47Å; A163-Y664 VanDerWaalsContact CB-CE1 3.47Å; A163-F705 HydrophobicContact CB-CE2 4.2Å
164	Q	85.8	Confident	74.4	Confident	55 Å²	55	46.8 Å²	46.8	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-69.9	-42	175.4	-172.1	-112.8	-48	0	0	113.1	D162 L167 S168 Y704 F705	D162-Q164 PolarHBondContact O-N 3.41Å; D162-Q164 VanDerWaalsContact OD1-CB 3.24Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.31Å; D162-Q164 PolarHBondContact OD1-N 3.2Å; Q164-L167 PolarHBondContact O-N 3.1Å; Q164-S168 PolarHBondContact NE2-OG 2.94Å; Q164-S168 VanDerWaalsContact NE2-OG 3.16Å; Q164-S168 WeakPolarHBondContact O-CB 3.41Å; Q164-S168 PolarHBondContact O-N 3.17Å; Q164-S168 PolarHBondContact O-OG 2.76Å; Q164-Y704 HydrophobicContact CB-CE1 4.27Å; Q164-F705 HydrophobicContact CB-CE2 4.24Å; Q164-F705 HydrophobicContact CB-CZ 3.59Å; Q164-F705 HydrophobicContact CG-CE1 4.42Å; Q164-F705 HydrophobicContact CG-CZ 3.81Å
165	E	86.9	Confident	76.7	Confident	80 Å²	80	39.9 Å²	39.9	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-47.3	177.6	-178.6	172.6	-134.6	0	0	110	D162 L167 S168 F169	D162-E165 HydrophobicContact CB-CB 4.15Å; D162-E165 PolarHBondContact O-N 3.2Å; E165-L167 PolarHBondContact O-N 3.04Å; E165-S168 PolarHBondContact O-N 2.98Å; E165-F169 HydrophobicContact CG-CD2 3.7Å; E165-F169 HydrophobicContact CG-CE1 4.46Å; E165-F169 HydrophobicContact CG-CE2 3.19Å; E165-F169 HydrophobicContact CG-CZ 3.63Å; E165-F169 WeakPolarHBondContact O-CG 3.48Å; E165-F169 PolarHBondContact O-N 3.24Å; E165-F169 WeakPolarHBondContact OE1-CE2 3.5Å; E165-F169 WeakPolarHBondContact OE1-CZ 3.19Å
166	F	91.1	Very high	78.8	Confident	8 Å²	8	41 Å²	41	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-48.1	175.5	177.9	-95.7	0	0	0	112.6	F82 A83 V86 L87 I144 V145 L148 D162 S168 F169 L170	F82-F166 HydrophobicContact CD2-CB 3.82Å; F82-F166 HydrophobicContact CD2-CD2 4.49Å; F82-F166 HydrophobicContact CD2-CG 4.07Å; F82-F166 HydrophobicContact CE2-CB 3.77Å; F82-F166 AromaticContact CE2-CD2 3.8Å; F82-F166 HydrophobicContact CE2-CD2 3.8Å; F82-F166 AromaticContact CE2-CG 3.83Å; F82-F166 HydrophobicContact CE2-CG 3.83Å; A83-F166 HydrophobicContact CB-CD1 3.98Å; A83-F166 HydrophobicContact CB-CD2 4.07Å; A83-F166 HydrophobicContact CB-CE1 3.65Å; A83-F166 HydrophobicContact CB-CE2 3.73Å; A83-F166 HydrophobicContact CB-CG 4.18Å; A83-F166 HydrophobicContact CB-CZ 3.52Å; V86-F166 HydrophobicContact CB-CD1 3.99Å; V86-F166 HydrophobicContact CB-CE1 4.17Å; V86-F166 HydrophobicContact CG1-CD1 3.87Å; V86-F166 HydrophobicContact CG1-CE1 3.96Å; V86-F166 HydrophobicContact CG2-CD1 4.35Å; L87-F166 HydrophobicContact CD1-CZ 4.35Å; L87-F166 HydrophobicContact CD2-CE1 4.47Å; L87-F166 HydrophobicContact CG-CE1 4.12Å; L87-F166 HydrophobicContact CG-CZ 4.3Å; I144-F166 HydrophobicContact CG2-CZ 4.34Å; V145-F166 HydrophobicContact CG2-CE2 4.2Å; V145-F166 HydrophobicContact CG2-CZ 4.45Å; L148-F166 HydrophobicContact CD1-CD2 4.45Å; L148-F166 HydrophobicContact CD1-CE2 3.85Å; L148-F166 HydrophobicContact CD1-CZ 4.21Å; D162-F166 PolarHBondContact O-N 3.39Å; D162-F166 VanDerWaalsContact O-N 3.13Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 3.44Å; F166-F169 PolarHBondContact O-N 2.91Å; F166-L170 HydrophobicContact CE1-CD2 4.14Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 WeakPolarHBondContact O-CB 3.37Å; F166-L170 PolarHBondContact O-N 3.37Å
167	L	94.4	Very high	81	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177.9	175.4	55.1	0	0	0	111.5	V86 L90 A163 Q164 E165 L171 F247 I602 F705 F707	V86-L167 HydrophobicContact CG1-CB 3.84Å; V86-L167 HydrophobicContact CG1-CD1 3.69Å; V86-L167 HydrophobicContact CG1-CG 4.21Å; V86-L167 HydrophobicContact CG2-CB 4.21Å; L90-L167 HydrophobicContact CD1-CD1 3.85Å; L90-L167 HydrophobicContact CD2-CD1 4.1Å; L90-L167 HydrophobicContact CG-CD1 4.21Å; A163-L167 VanDerWaalsContact O-CB 3.26Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 PolarHBondContact O-N 3.21Å; Q164-L167 PolarHBondContact O-N 3.1Å; E165-L167 PolarHBondContact O-N 3.04Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 4.39Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.28Å; L167-L171 PolarHBondContact O-N 3.11Å; L167-F247 HydrophobicContact CD2-CE1 3.57Å; L167-F247 HydrophobicContact CD2-CZ 4.19Å; L167-F247 HydrophobicContact CG-CE1 3.74Å; L167-F247 HydrophobicContact CG-CZ 3.85Å; L167-I602 HydrophobicContact CD2-CG2 4.45Å; L167-F705 HydrophobicContact CD2-CD1 4.44Å; L167-F705 HydrophobicContact CD2-CE1 4.11Å; L167-F705 HydrophobicContact CD2-CE2 4.36Å; L167-F705 HydrophobicContact CD2-CZ 4.09Å; L167-F707 HydrophobicContact CD2-CE1 4.41Å; L167-F707 HydrophobicContact CD2-CZ 3.91Å
168	S	91.8	Very high	83.1	Confident	17 Å²	17	30.2 Å²	30.2	12%	0.119	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-50.5	179	-53.1	0	0	0	0	110.7	Q164 E165 F166 L170 L171 D172 F247	Q164-S168 PolarHBondContact NE2-OG 2.94Å; Q164-S168 VanDerWaalsContact NE2-OG 3.16Å; Q164-S168 WeakPolarHBondContact O-CB 3.41Å; Q164-S168 PolarHBondContact O-N 3.17Å; Q164-S168 PolarHBondContact O-OG 2.76Å; E165-S168 PolarHBondContact O-N 2.98Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 3.44Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.2Å; S168-L171 PolarHBondContact O-N 3.34Å; S168-D172 WeakPolarHBondContact O-CB 3.36Å; S168-D172 VanDerWaalsContact O-CG 3.25Å; S168-D172 PolarHBondContact O-N 3.03Å; S168-F247 WeakPolarHBondContact OG-CE2 3.39Å
169	F	91.1	Very high	85.2	Confident	67 Å²	67	28.8 Å²	28.8	29%	0.294	15%	0.147	S	C	.	.	H	α-helix	trans	-62.7	-38.2	178.5	-68.8	-26.7	0	0	0	113.5	E165 F166 C173	E165-F169 HydrophobicContact CG-CD2 3.7Å; E165-F169 HydrophobicContact CG-CE1 4.46Å; E165-F169 HydrophobicContact CG-CE2 3.19Å; E165-F169 HydrophobicContact CG-CZ 3.63Å; E165-F169 WeakPolarHBondContact O-CG 3.48Å; E165-F169 PolarHBondContact O-N 3.24Å; E165-F169 WeakPolarHBondContact OE1-CE2 3.5Å; E165-F169 WeakPolarHBondContact OE1-CZ 3.19Å; F166-F169 PolarHBondContact O-N 2.91Å; F169-C173 WeakPolarHBondContact O-CB 2.99Å; F169-C173 PolarHBondContact O-N 2.85Å; F169-C173 PolarHBondContact O-SG 3.38Å
170	L	95.2	Very high	87.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-50	175.1	175.4	58.8	0	0	0	110.9	L87 L90 V121 F125 I144 L148 F166 S168 D172 C173 L174	L87-L170 HydrophobicContact CD2-CD2 3.66Å; L90-L170 HydrophobicContact CD1-CD2 3.53Å; L90-L170 HydrophobicContact CD1-CG 4.41Å; V121-L170 HydrophobicContact CG1-CD1 4.17Å; F125-L170 HydrophobicContact CD2-CD1 4.2Å; F125-L170 HydrophobicContact CD2-CD2 4.45Å; F125-L170 HydrophobicContact CE2-CD2 4.18Å; I144-L170 HydrophobicContact CG2-CD1 4.21Å; L148-L170 HydrophobicContact CD1-CB 3.67Å; L148-L170 HydrophobicContact CD1-CD1 3.8Å; L148-L170 HydrophobicContact CD1-CG 4.25Å; F166-L170 HydrophobicContact CE1-CD2 4.14Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 WeakPolarHBondContact O-CB 3.37Å; F166-L170 PolarHBondContact O-N 3.37Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.2Å; L170-D172 VanDerWaalsContact C-N 3.34Å; L170-D172 PolarHBondContact O-N 2.93Å; L170-C173 PolarHBondContact O-N 2.87Å; L170-L174 HydrophobicContact CD1-CD1 3.98Å; L170-L174 HydrophobicContact CD1-CG 4.05Å; L170-L174 HydrophobicContact CG-CD1 4.17Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.27Å
171	L	96.9	Very high	88.4	Confident	2 Å²	2	26 Å²	26	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-39.2	179.1	-69.9	-175.2	0	0	0	111.9	L90 L167 S168 L174 H175 I218 F222 V246 F247 I602	L90-L171 HydrophobicContact CD2-CD2 4.29Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 4.39Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.28Å; L167-L171 PolarHBondContact O-N 3.11Å; S168-L171 PolarHBondContact O-N 3.34Å; L171-L174 PolarHBondContact O-N 3.33Å; L171-H175 WeakPolarHBondContact O-CB 3.15Å; L171-H175 PolarHBondContact O-N 3.43Å; L171-I218 HydrophobicContact CB-CG2 4.41Å; L171-I218 HydrophobicContact CD2-CD1 4.33Å; L171-I218 HydrophobicContact CD2-CG2 4.45Å; L171-F222 HydrophobicContact CD2-CD2 4.21Å; L171-F222 HydrophobicContact CD2-CE2 3.98Å; L171-F222 HydrophobicContact CD2-CZ 4.5Å; L171-V246 HydrophobicContact CD1-CG1 3.82Å; L171-F247 HydrophobicContact CD1-CE1 4.16Å; L171-F247 HydrophobicContact CD1-CZ 3.85Å; L171-I602 HydrophobicContact CD1-CD1 4.15Å
172	D	92.9	Very high	88.4	Confident	59 Å²	59	30.4 Å²	30.4	32%	0.316	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-41.6	175.9	-71.9	-19.6	0	0	0	111.8	S168 L170 H175 E176	S168-D172 WeakPolarHBondContact O-CB 3.36Å; S168-D172 VanDerWaalsContact O-CG 3.25Å; S168-D172 PolarHBondContact O-N 3.03Å; L170-D172 VanDerWaalsContact C-N 3.34Å; L170-D172 PolarHBondContact O-N 2.93Å; D172-H175 PolarHBondContact O-N 3.43Å; D172-E176 WeakPolarHBondContact O-CB 3.03Å; D172-E176 WeakPolarHBondContact O-CG 3.09Å; D172-E176 PolarHBondContact O-N 3.15Å
173	C	92.8	Very high	87.5	Confident	33 Å²	33	30.4 Å²	30.4	22%	0.223	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-43.3	176.3	-74.3	0	0	0	0	112	Q118 V121 L148 F169 L170 H175 G177	Q118-C173 WeakPolarHBondContact CB-O 3.17Å; Q118-C173 HydrophobicContact CG-CB 4.42Å; Q118-C173 WeakPolarHBondContact CG-O 3.43Å; V121-C173 HydrophobicContact CG1-CB 4.25Å; L148-C173 HydrophobicContact CD2-CB 3.86Å; L148-C173 WeakPolarHBondContact CD2-SG 3.12Å; F169-C173 WeakPolarHBondContact O-CB 2.99Å; F169-C173 PolarHBondContact O-N 2.85Å; F169-C173 PolarHBondContact O-SG 3.38Å; L170-C173 PolarHBondContact O-N 2.87Å; C173-H175 VanDerWaalsContact C-N 3.35Å; C173-G177 PolarHBondContact O-N 3.43Å
174	L	95.6	Very high	86	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-41.9	174.8	-67.5	177.5	0	0	0	110.8	F100 I122 F125 L170 L171 G177 L178 I218	F100-L174 HydrophobicContact CZ-CD2 4.42Å; I122-L174 HydrophobicContact CG1-CD2 3.93Å; F125-L174 HydrophobicContact CB-CD2 4.2Å; F125-L174 HydrophobicContact CD1-CD1 3.97Å; F125-L174 HydrophobicContact CD1-CD2 4.04Å; F125-L174 HydrophobicContact CE1-CD1 3.89Å; F125-L174 HydrophobicContact CG-CD1 4.3Å; F125-L174 HydrophobicContact CG-CD2 4.19Å; F125-L174 HydrophobicContact CZ-CD1 4.19Å; L170-L174 HydrophobicContact CD1-CD1 3.98Å; L170-L174 HydrophobicContact CD1-CG 4.05Å; L170-L174 HydrophobicContact CG-CD1 4.17Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.27Å; L171-L174 PolarHBondContact O-N 3.33Å; L174-G177 PolarHBondContact O-N 2.91Å; L174-L178 HydrophobicContact CB-CD1 4.4Å; L174-L178 HydrophobicContact CD2-CD1 4.49Å; L174-L178 WeakPolarHBondContact O-CB 3.2Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.4Å; L174-L178 PolarHBondContact O-N 3.23Å; L174-I218 HydrophobicContact CB-CD1 3.83Å; L174-I218 HydrophobicContact CB-CG1 3.84Å; L174-I218 HydrophobicContact CD1-CD1 4.27Å
175	H	94.6	Very high	84.4	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-58.9	177.8	173.6	61	0	0	0	110.9	L171 D172 C173 G177 L178 K179 N214 S216 I218 V219	L171-H175 WeakPolarHBondContact O-CB 3.15Å; L171-H175 PolarHBondContact O-N 3.43Å; D172-H175 PolarHBondContact O-N 3.43Å; C173-H175 VanDerWaalsContact C-N 3.35Å; H175-G177 VanDerWaalsContact C-N 3.3Å; H175-G177 PolarHBondContact O-N 3.21Å; H175-L178 PolarHBondContact O-N 3.23Å; H175-K179 WeakPolarHBondContact NE2-CE 3.16Å; H175-K179 WeakPolarHBondContact O-CG 3.22Å; H175-K179 PolarHBondContact O-N 3.32Å; H175-K179 VanDerWaalsContact O-N 3.17Å; H175-N214 PolarHBondContact CE1-O 3.47Å; H175-S216 PolarHBondContact CE1-OG 3.07Å; H175-S216 PolarHBondContact ND1-OG 2.78Å; H175-I218 HydrophobicContact CB-CB 4.02Å; H175-I218 HydrophobicContact CB-CG1 4.18Å; H175-I218 HydrophobicContact CB-CG2 4.1Å; H175-V219 VanDerWaalsContact CE1-CG2 3.41Å; H175-V219 WeakPolarHBondContact CE1-CG2 3.46Å
176	E	91	Very high	82.8	Confident	70 Å²	70	45.5 Å²	45.5	33%	0.327	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-35.8	-179.1	-71.9	-56.3	145.5	0	0	112.4	R116 Q118 D172 K179	R116-E176 WeakPolarHBondContact CD-O 3.41Å; R116-E176 VanDerWaalsContact CZ-O 3.32Å; R116-E176 PolarHBondContact NH1-O 2.69Å; Q118-E176 HydrophobicContact CG-CB 4.33Å; D172-E176 WeakPolarHBondContact O-CB 3.03Å; D172-E176 WeakPolarHBondContact O-CG 3.09Å; D172-E176 PolarHBondContact O-N 3.15Å; E176-K179 WeakPolarHBondContact OE1-CE 3.42Å; E176-K179 IonicContact OE1-NZ 3.61Å; E176-K179 PolarHBondContact OE1-NZ 3.19Å; E176-K179 WeakPolarHBondContact OE2-CE 3.46Å; E176-K179 IonicContact OE2-NZ 2.82Å; E176-K179 PolarHBondContact OE2-NZ 3.19Å
177	G	90.3	Very high	80.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-77.9	-24.7	179.8	0	0	0	0	0	114.2	I122 C173 L174 H175	I122-G177 VanDerWaalsContact CD1-C 3.44Å; I122-G177 VanDerWaalsContact CD1-CA 3.46Å; C173-G177 PolarHBondContact O-N 3.43Å; L174-G177 PolarHBondContact O-N 2.91Å; H175-G177 VanDerWaalsContact C-N 3.3Å; H175-G177 PolarHBondContact O-N 3.21Å
178	L	92.6	Very high	78.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	18.7	-177.8	-59.4	169.5	0	0	0	113.6	Y99 F100 L109 I122 L174 H175 R180 S216 I217	Y99-L178 HydrophobicContact CE1-CD1 4.08Å; F100-L178 HydrophobicContact CZ-CD1 3.93Å; L109-L178 HydrophobicContact CD2-CD2 4.26Å; L109-L178 HydrophobicContact CG-CD2 4.35Å; I122-L178 HydrophobicContact CD1-CD2 3.79Å; I122-L178 HydrophobicContact CD1-CG 3.74Å; I122-L178 HydrophobicContact CG1-CD2 4.38Å; I122-L178 HydrophobicContact CG1-CG 4.25Å; I122-L178 HydrophobicContact CG2-CD2 3.97Å; L174-L178 HydrophobicContact CB-CD1 4.4Å; L174-L178 HydrophobicContact CD2-CD1 4.49Å; L174-L178 WeakPolarHBondContact O-CB 3.2Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.4Å; L174-L178 PolarHBondContact O-N 3.23Å; H175-L178 PolarHBondContact O-N 3.23Å; L178-R180 PolarHBondContact O-N 2.73Å; L178-S216 WeakPolarHBondContact O-CB 2.94Å; L178-I217 HydrophobicContact CB-CG2 4.26Å; L178-I217 HydrophobicContact CD1-CG2 3.71Å
179	K	90	Very high	76.8	Confident	15 Å²	15	65 Å²	65	7%	0.065	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-62.8	126.4	167.9	-72.7	-177.7	-177.4	171.2	0	110	T112 R116 H175 E176 Q181 N214 G215	T112-K179 WeakPolarHBondContact CG2-O 3.41Å; R116-K179 PolarHBondContact NH2-O 3.47Å; R116-K179 VanDerWaalsContact NH2-O 3.13Å; H175-K179 WeakPolarHBondContact NE2-CE 3.16Å; H175-K179 WeakPolarHBondContact O-CG 3.22Å; H175-K179 PolarHBondContact O-N 3.32Å; H175-K179 VanDerWaalsContact O-N 3.17Å; E176-K179 WeakPolarHBondContact OE1-CE 3.42Å; E176-K179 IonicContact OE1-NZ 3.61Å; E176-K179 PolarHBondContact OE1-NZ 3.19Å; E176-K179 WeakPolarHBondContact OE2-CE 3.46Å; E176-K179 IonicContact OE2-NZ 2.82Å; E176-K179 PolarHBondContact OE2-NZ 3.19Å; K179-Q181 VanDerWaalsContact C-N 3.27Å; K179-Q181 PolarHBondContact O-N 3.35Å; K179-N214 WeakPolarHBondContact CE-OD1 2.82Å; K179-N214 PolarHBondContact NZ-OD1 2.85Å; K179-G215 WeakPolarHBondContact CA-O 3.17Å
180	R	85.4	Confident	74.9	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.015	33%	0.332	C	S	.	.	S	Bend	trans	-66.7	-27.3	-177.7	-65.2	172.5	-164.3	118.7	14	112.9	L178 G215 S216 D220 E729	L178-R180 PolarHBondContact O-N 2.73Å; R180-G215 PolarHBondContact N-O 2.73Å; R180-S216 PolarHBondContact NH2-O 2.73Å; R180-D220 IonicContact CZ-OD1 2.63Å; R180-D220 IonicContact CZ-OD2 2.62Å; R180-D220 IonicContact NH1-OD1 3.67Å; R180-D220 PolarHBondContact NH1-OD1 3.28Å; R180-D220 IonicContact NH1-OD2 3.88Å; R180-D220 IonicContact NH2-OD1 3.83Å; R180-D220 PolarHBondContact NH2-OD1 2.79Å; R180-D220 IonicContact NH2-OD2 3.56Å; R180-D220 PolarHBondContact NH2-OD2 3.21Å; R180-E729 WeakPolarHBondContact CB-OE2 3.48Å; R180-E729 WeakPolarHBondContact CD-OE2 3.37Å; R180-E729 IonicContact NH1-OE1 3.32Å; R180-E729 PolarHBondContact NH1-OE1 2.89Å
181	Q	73.2	Confident	73	Confident	44 Å²	44	68.5 Å²	68.5	21%	0.206	35%	0.347	C	S	.	.	S	Bend	trans	-135.2	168.2	176.5	-57.8	-152.4	-37.5	0	0	113.1	R116 K179 E729 S732	R116-Q181 PolarHBondContact NH2-O 2.9Å; K179-Q181 VanDerWaalsContact C-N 3.27Å; K179-Q181 PolarHBondContact O-N 3.35Å; Q181-E729 VanDerWaalsContact CD-O 3.28Å; Q181-E729 HydrophobicContact CG-CB 3.92Å; Q181-E729 PolarHBondContact NE2-O 3.17Å; Q181-E729 PolarHBondContact OE1-O 3.45Å; Q181-S732 PolarHBondContact OE1-OG 2.86Å
182	Q	62.5	Low	70.9	Confident	119 Å²	119	75.9 Å²	75.9	56%	0.556	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-96	134.9	164.5	-70.9	-70.2	-20.8	0	0	108.3	R116 K184	R116-Q182 VanDerWaalsContact NH2-NE2 3.12Å; Q182-K184 PolarHBondContact O-N 2.97Å
183	P	55.4	Low	69.1	Low	57 Å²	57	74.9 Å²	74.9	37%	0.37	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.9	131.2	179.2	21.8	-30.3	0	0	0	110.2	M213	P183-M213 HydrophobicContact CB-SD 3.56Å; P183-M213 VanDerWaalsContact CB-SD 3.56Å
184	K	55.4	Low	67.3	Low	119 Å²	119	75.1 Å²	75.1	52%	0.517	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-63.1	140.4	163.6	-67.7	-177.9	-177.8	176.7	0	107.3	Q182 N186 S732	Q182-K184 PolarHBondContact O-N 2.97Å; K184-N186 PolarHBondContact O-N 3.41Å; K184-S732 WeakPolarHBondContact CE-O 3.44Å; K184-S732 PolarHBondContact NZ-O 3.05Å
185	F	53.2	Low	65.3	Low	214 Å²	214	82.1 Å²	82.1	94%	0.939	42%	0.418	S	S	*	.	S	Bend	trans	-66.8	68	171.8	-81.6	-86.3	0	0	0	110.8
186	N	52.3	Low	63.4	Low	119 Å²	119	89.3 Å²	89.3	64%	0.636	46%	0.458	S	S	*	.			trans	-110.7	114.2	163	-78.2	-6.2	0	0	0	106.3	K184 V188	K184-N186 PolarHBondContact O-N 3.41Å; N186-V188 VanDerWaalsContact C-N 3.31Å; N186-V188 PolarHBondContact O-N 2.94Å
187	K	48.2	Very low	62.2	Low	212 Å²	212	89.7 Å²	89.7	92%	0.922	46%	0.462	S	S	*	.			trans	-59.3	99.6	166.3	-79.1	-178.6	175.8	-179.8	0	107.2
188	V	53.4	Low	61.7	Low	67 Å²	67	94.4 Å²	94.4	41%	0.406	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-78.1	120.5	165.6	-178.7	0	0	0	0	106.3	N186 N209	N186-V188 VanDerWaalsContact C-N 3.31Å; N186-V188 PolarHBondContact O-N 2.94Å; V188-N209 HydrophobicContact CG1-CB 4.04Å; V188-N209 VanDerWaalsContact CG1-ND2 3.27Å; V188-N209 WeakPolarHBondContact CG1-ND2 3.35Å
189	M	50.4	Low	61.3	Low	156 Å²	156	96.2 Å²	96.2	77%	0.768	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-68.5	140.7	171.5	-71.2	-169.7	68	0	0	108.9	A191	M189-A191 PolarHBondContact O-N 2.83Å
190	P	51.7	Low	61.2	Low	101 Å²	101	98.2 Å²	98.2	66%	0.656	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-53.7	132.9	166.8	-13.6	24.5	0	0	0	107.9	E192	P190-E192 PolarHBondContact O-N 3.03Å
191	A	54.9	Low	61.3	Low	39 Å²	39	101.8 Å²	101.8	32%	0.322	53%	0.529	S	S	.	.			trans	-76	86.4	174.9	0	0	0	0	0	106.9	M189 L202	M189-A191 PolarHBondContact O-N 2.83Å; A191-L202 HydrophobicContact CB-CD1 3.2Å; A191-L202 HydrophobicContact CB-CG 4.28Å; A191-L202 WeakPolarHBondContact O-CD1 3.44Å
192	E	53.2	Low	62.1	Low	156 Å²	156	100 Å²	100	73%	0.729	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-76.8	134.5	170.9	-68.3	-177	-178.2	0	0	108.7	P190 G194	P190-E192 PolarHBondContact O-N 3.03Å; E192-G194 PolarHBondContact O-N 3.19Å
193	T	54.9	Low	63.5	Low	38 Å²	38	94.3 Å²	94.3	23%	0.233	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-60.9	124.6	174.2	47.9	0	0	0	0	111.2	L202	T193-L202 HydrophobicContact CG2-CD2 3.2Å
194	G	54.5	Low	65.2	Low	38 Å²	38	95.7 Å²	95.7	39%	0.392	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-73.4	153.8	142.1	0	0	0	0	0	110	E192 N196 D197	E192-G194 PolarHBondContact O-N 3.19Å; G194-N196 PolarHBondContact O-N 3.46Å; G194-D197 PolarHBondContact N-OD2 3.42Å; G194-D197 PolarHBondContact O-N 2.87Å
195	E	53.4	Low	66.9	Low	147 Å²	147	96.1 Å²	96.1	69%	0.687	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.1	-178.5	-74.8	179.9	141.3	0	0	114.4	R581	E195-R581 VanDerWaalsContact CD-NH2 3.34Å; E195-R581 IonicContact OE1-CZ 3.76Å; E195-R581 IonicContact OE1-NH1 2.64Å; E195-R581 IonicContact OE1-NH2 2.74Å; E195-R581 PolarHBondContact OE1-NH2 3.36Å; E195-R581 IonicContact OE2-NH2 3.25Å; E195-R581 PolarHBondContact OE2-NH2 2.75Å
196	N	54.4	Low	68.8	Low	161 Å²	161	87 Å²	87	86%	0.861	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	9.9	-176.1	-69.3	-30.7	0	0	0	114.8	G194	G194-N196 PolarHBondContact O-N 3.46Å
197	D	66.5	Low	70.8	Confident	78 Å²	78	82.5 Å²	82.5	42%	0.417	43%	0.432	S	S	.	.			trans	-76	138.2	-178.6	-69.6	-28.9	0	0	0	112	G194 I199	G194-D197 PolarHBondContact N-OD2 3.42Å; G194-D197 PolarHBondContact O-N 2.87Å; D197-I199 PolarHBondContact O-N 3.09Å
198	D	80.3	Confident	72.8	Confident	99 Å²	99	75.6 Å²	75.6	53%	0.529	41%	0.405	S	S	.	.			trans	-63.3	106.9	167.3	-179.8	-4.7	0	0	0	108.7	T200 L201 L202	D198-T200 PolarHBondContact O-N 3.45Å; D198-T200 VanDerWaalsContact O-N 3.11Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 3.05Å; D198-T200 PolarHBondContact OD1-OG1 2.99Å; D198-L201 HydrophobicContact CB-CB 4.03Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 2.76Å; D198-L202 PolarHBondContact O-N 3.47Å
199	I	84.4	Confident	74.5	Confident	37 Å²	37	74.7 Å²	74.7	19%	0.19	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-26.8	-176.6	70.9	159.4	0	0	0	112.5	D197 L202 A203 Y242 W595 K639	D197-I199 PolarHBondContact O-N 3.09Å; I199-L202 PolarHBondContact O-N 3.37Å; I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 3.05Å; I199-Y242 PolarHBondContact O-OH 3.32Å; I199-W595 HydrophobicContact CD1-CH2 4.29Å; I199-W595 HydrophobicContact CD1-CZ3 4.06Å; I199-W595 HydrophobicContact CG1-CH2 4.31Å; I199-K639 HydrophobicContact CD1-CB 3.8Å; I199-K639 HydrophobicContact CD1-CD 3.2Å; I199-K639 HydrophobicContact CD1-CG 4.13Å; I199-K639 HydrophobicContact CG1-CB 4.5Å; I199-K639 HydrophobicContact CG1-CD 3.91Å
200	T	87.5	Confident	76.5	Confident	58 Å²	58	69.2 Å²	69.2	36%	0.356	37%	0.369	S	S	.	.	H	α-helix	trans	-68.5	-44.7	177.7	-53.6	0	0	0	0	110.2	D198 L202 A203 Q204 W595	D198-T200 PolarHBondContact O-N 3.45Å; D198-T200 VanDerWaalsContact O-N 3.11Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 3.05Å; D198-T200 PolarHBondContact OD1-OG1 2.99Å; T200-L202 VanDerWaalsContact C-N 3.28Å; T200-L202 PolarHBondContact O-N 2.9Å; T200-A203 PolarHBondContact O-N 3.05Å; T200-Q204 WeakPolarHBondContact O-CB 3.48Å; T200-Q204 PolarHBondContact O-N 3.3Å; T200-W595 HydrophobicContact CG2-CZ2 4.14Å
201	L	88.1	Confident	78.4	Confident	78 Å²	78	65.4 Å²	65.4	41%	0.408	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-36.8	174.6	-179.6	61.2	0	0	0	111.3	D198 R205	D198-L201 HydrophobicContact CB-CB 4.03Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 2.76Å; L201-R205 HydrophobicContact CD1-CG 4.42Å; L201-R205 WeakPolarHBondContact O-CB 3.03Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.31Å; L201-R205 PolarHBondContact O-N 3.08Å
202	L	88.8	Confident	79.9	Confident	7 Å²	7	70 Å²	70	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-48.8	178	-169.9	65.6	0	0	0	112	A191 T193 D198 I199 T200 Q204 R205 A206 Y242	A191-L202 HydrophobicContact CB-CD1 3.2Å; A191-L202 HydrophobicContact CB-CG 4.28Å; A191-L202 WeakPolarHBondContact O-CD1 3.44Å; T193-L202 HydrophobicContact CG2-CD2 3.2Å; D198-L202 PolarHBondContact O-N 3.47Å; I199-L202 PolarHBondContact O-N 3.37Å; T200-L202 VanDerWaalsContact C-N 3.28Å; T200-L202 PolarHBondContact O-N 2.9Å; L202-Q204 VanDerWaalsContact C-N 3.35Å; L202-Q204 PolarHBondContact O-N 2.89Å; L202-R205 PolarHBondContact O-N 3.18Å; L202-A206 WeakPolarHBondContact O-CB 3.14Å; L202-A206 PolarHBondContact O-N 2.98Å; L202-Y242 HydrophobicContact CB-CE2 4.16Å; L202-Y242 HydrophobicContact CD2-CD2 4.28Å; L202-Y242 HydrophobicContact CD2-CE2 3.92Å; L202-Y242 HydrophobicContact CG-CD2 4.15Å; L202-Y242 HydrophobicContact CG-CE2 4.01Å
203	A	93.2	Very high	81.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.4	0	0	0	0	0	112	I199 T200 A206 W207 L225 Y242 W595	I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 3.05Å; T200-A203 PolarHBondContact O-N 3.05Å; A203-A206 PolarHBondContact O-N 2.93Å; A203-W207 PolarHBondContact O-N 2.98Å; A203-L225 HydrophobicContact CB-CD2 4.41Å; A203-Y242 HydrophobicContact CB-CD1 3.68Å; A203-Y242 HydrophobicContact CB-CD2 4.18Å; A203-Y242 HydrophobicContact CB-CE1 3.42Å; A203-Y242 VanDerWaalsContact CB-CE1 3.42Å; A203-Y242 HydrophobicContact CB-CE2 3.96Å; A203-Y242 HydrophobicContact CB-CG 4.04Å; A203-W595 HydrophobicContact CB-CD2 3.62Å; A203-W595 HydrophobicContact CB-CE3 4.33Å; A203-W595 HydrophobicContact CB-CG 3.95Å; A203-W595 HydrophobicContact CB-CH2 4.25Å; A203-W595 HydrophobicContact CB-CZ2 3.54Å
204	Q	91.4	Very high	83.1	Confident	85 Å²	85	65.9 Å²	65.9	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-47.9	176.5	-176.4	61.9	43.4	0	0	111.1	T200 L202 A206 W207 D208	T200-Q204 WeakPolarHBondContact O-CB 3.48Å; T200-Q204 PolarHBondContact O-N 3.3Å; L202-Q204 VanDerWaalsContact C-N 3.35Å; L202-Q204 PolarHBondContact O-N 2.89Å; Q204-A206 VanDerWaalsContact C-N 3.34Å; Q204-A206 PolarHBondContact O-N 2.85Å; Q204-W207 PolarHBondContact O-N 2.82Å; Q204-D208 PolarHBondContact NE2-OD1 3.22Å; Q204-D208 PolarHBondContact NE2-OD2 3.23Å; Q204-D208 WeakPolarHBondContact O-CB 3.24Å; Q204-D208 VanDerWaalsContact O-CG 3.26Å; Q204-D208 PolarHBondContact O-N 2.92Å
205	R	91	Very high	84.9	Confident	129 Å²	129	64.4 Å²	64.4	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-42.7	175.9	-75.2	174	179.9	169.7	0.8	112.1	L201 L202 W207 D208 N209	L201-R205 HydrophobicContact CD1-CG 4.42Å; L201-R205 WeakPolarHBondContact O-CB 3.03Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.31Å; L201-R205 PolarHBondContact O-N 3.08Å; L202-R205 PolarHBondContact O-N 3.18Å; R205-W207 VanDerWaalsContact C-N 3.33Å; R205-W207 PolarHBondContact O-N 3.4Å; R205-D208 PolarHBondContact O-N 2.69Å; R205-N209 VanDerWaalsContact O-CB 3.22Å; R205-N209 WeakPolarHBondContact O-CB 3.5Å; R205-N209 PolarHBondContact O-N 3.43Å; R205-N209 PolarHBondContact O-ND2 2.99Å
206	A	92	Very high	86.8	Confident	22 Å²	22	57.4 Å²	57.4	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-44.5	177.2	0	0	0	0	0	111.5	L202 A203 Q204 Y210	L202-A206 WeakPolarHBondContact O-CB 3.14Å; L202-A206 PolarHBondContact O-N 2.98Å; A203-A206 PolarHBondContact O-N 2.93Å; Q204-A206 VanDerWaalsContact C-N 3.34Å; Q204-A206 PolarHBondContact O-N 2.85Å; A206-Y210 WeakPolarHBondContact O-CB 3.15Å; A206-Y210 PolarHBondContact O-N 3.1Å
207	W	93.8	Very high	88.8	Confident	25 Å²	25	49.7 Å²	49.7	10%	0.095	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-43.8	178	-172.1	-114	0	0	0	113.3	A203 Q204 R205 Y210 N211 V219 H223 L225 Q596	A203-W207 PolarHBondContact O-N 2.98Å; Q204-W207 PolarHBondContact O-N 2.82Å; R205-W207 VanDerWaalsContact C-N 3.33Å; R205-W207 PolarHBondContact O-N 3.4Å; W207-Y210 HydrophobicContact CE3-CD1 4.28Å; W207-Y210 HydrophobicContact CZ3-CD1 4.03Å; W207-Y210 HydrophobicContact CZ3-CE1 4.45Å; W207-Y210 PolarHBondContact O-N 2.78Å; W207-N211 PolarHBondContact NE1-ND2 2.72Å; W207-N211 PolarHBondContact O-N 2.79Å; W207-N211 PolarHBondContact O-ND2 3.13Å; W207-V219 HydrophobicContact CH2-CG1 4.26Å; W207-H223 HydrophobicContact CH2-CB 4.23Å; W207-L225 HydrophobicContact CB-CD2 4.28Å; W207-L225 HydrophobicContact CE3-CB 4.04Å; W207-L225 HydrophobicContact CE3-CD1 4.04Å; W207-L225 HydrophobicContact CE3-CG 4.47Å; W207-L225 HydrophobicContact CZ3-CB 4.33Å; W207-Q596 VanDerWaalsContact CE2-NE2 3.26Å; W207-Q596 VanDerWaalsContact CZ2-NE2 3.34Å
208	D	90.8	Very high	90.2	Very high	66 Å²	66	46 Å²	46	35%	0.353	23%	0.229	S	C	.	.	H	α-helix	trans	-63	-47.6	178.4	-69.1	-23.5	0	0	0	110.7	Q204 R205 Y210 N211 E212	Q204-D208 PolarHBondContact NE2-OD1 3.22Å; Q204-D208 PolarHBondContact NE2-OD2 3.23Å; Q204-D208 WeakPolarHBondContact O-CB 3.24Å; Q204-D208 VanDerWaalsContact O-CG 3.26Å; Q204-D208 PolarHBondContact O-N 2.92Å; R205-D208 PolarHBondContact O-N 2.69Å; D208-Y210 VanDerWaalsContact C-N 3.28Å; D208-Y210 PolarHBondContact O-N 2.77Å; D208-N211 PolarHBondContact O-N 3.27Å; D208-E212 WeakPolarHBondContact O-CG 3.46Å; D208-E212 PolarHBondContact O-N 3.1Å
209	N	89.7	Confident	91	Very high	49 Å²	49	41.3 Å²	41.3	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-39.9	175	-69.6	-25.3	0	0	0	111.9	V188 R205 M213	V188-N209 HydrophobicContact CG1-CB 4.04Å; V188-N209 VanDerWaalsContact CG1-ND2 3.27Å; V188-N209 WeakPolarHBondContact CG1-ND2 3.35Å; R205-N209 VanDerWaalsContact O-CB 3.22Å; R205-N209 WeakPolarHBondContact O-CB 3.5Å; R205-N209 PolarHBondContact O-N 3.43Å; R205-N209 PolarHBondContact O-ND2 2.99Å; N209-M213 WeakPolarHBondContact O-CG 2.89Å; N209-M213 PolarHBondContact O-N 2.86Å
210	Y	92.5	Very high	91.5	Very high	40 Å²	40	40.5 Å²	40.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-46.7	176.9	-178.1	-106.6	0	0	0	111.6	A206 W207 D208 M213 N214 V219 H223 P244	A206-Y210 WeakPolarHBondContact O-CB 3.15Å; A206-Y210 PolarHBondContact O-N 3.1Å; W207-Y210 HydrophobicContact CE3-CD1 4.28Å; W207-Y210 HydrophobicContact CZ3-CD1 4.03Å; W207-Y210 HydrophobicContact CZ3-CE1 4.45Å; W207-Y210 PolarHBondContact O-N 2.78Å; D208-Y210 VanDerWaalsContact C-N 3.28Å; D208-Y210 PolarHBondContact O-N 2.77Å; Y210-M213 PolarHBondContact O-N 3.15Å; Y210-N214 HydrophobicContact CD2-CB 4.39Å; Y210-N214 VanDerWaalsContact CD2-ND2 3.3Å; Y210-N214 WeakPolarHBondContact CD2-ND2 3.39Å; Y210-N214 HydrophobicContact CE1-CB 4.27Å; Y210-N214 HydrophobicContact CE2-CB 3.97Å; Y210-N214 VanDerWaalsContact CE2-ND2 3.25Å; Y210-N214 WeakPolarHBondContact CE2-ND2 3.09Å; Y210-N214 VanDerWaalsContact O-CB 3.24Å; Y210-N214 WeakPolarHBondContact O-CB 3.08Å; Y210-N214 PolarHBondContact O-N 2.97Å; Y210-N214 PolarHBondContact O-ND2 3.01Å; Y210-N214 VanDerWaalsContact O-ND2 3.11Å; Y210-V219 HydrophobicContact CE1-CG1 4.07Å; Y210-V219 HydrophobicContact CE1-CG2 3.99Å; Y210-H223 AromaticContact CE1-ND1 3.71Å; Y210-H223 AromaticContact CZ-ND1 3.67Å; Y210-H223 PolarHBondContact OH-CE1 3.49Å; Y210-H223 PolarHBondContact OH-ND1 2.89Å; Y210-P244 HydrophobicContact CD1-CB 4.04Å; Y210-P244 HydrophobicContact CD2-CB 4.11Å; Y210-P244 HydrophobicContact CD2-CG 3.73Å; Y210-P244 HydrophobicContact CE1-CB 3.69Å; Y210-P244 HydrophobicContact CE1-CG 4.3Å; Y210-P244 HydrophobicContact CE2-CB 3.8Å; Y210-P244 HydrophobicContact CE2-CG 3.45Å; Y210-P244 VanDerWaalsContact CE2-CG 3.45Å; Y210-P244 HydrophobicContact CG-CB 4.23Å; Y210-P244 HydrophobicContact CG-CG 4.29Å
211	N	90.4	Very high	92	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-38.3	178.4	-75.2	-35	0	0	0	113	W207 D208 M213 N214 G215 V219	W207-N211 PolarHBondContact NE1-ND2 2.72Å; W207-N211 PolarHBondContact O-N 2.79Å; W207-N211 PolarHBondContact O-ND2 3.13Å; D208-N211 PolarHBondContact O-N 3.27Å; N211-M213 PolarHBondContact O-N 2.93Å; N211-N214 PolarHBondContact O-N 3.37Å; N211-G215 VanDerWaalsContact O-CA 3.26Å; N211-G215 WeakPolarHBondContact O-CA 3.07Å; N211-G215 PolarHBondContact O-N 3.49Å; N211-V219 VanDerWaalsContact OD1-CG1 3.32Å; N211-V219 WeakPolarHBondContact OD1-CG1 3.23Å
212	E	86.3	Confident	92.4	Very high	137 Å²	137	34 Å²	34	64%	0.64	16%	0.163	S	C	*	.	H	α-helix	trans	-59.2	-36.2	175.5	-77.1	-175.2	179.2	0	0	111.9	D208	D208-E212 WeakPolarHBondContact O-CG 3.46Å; D208-E212 PolarHBondContact O-N 3.1Å
213	M	86.3	Confident	92.9	Very high	79 Å²	79	34.2 Å²	34.2	39%	0.389	16%	0.164	S	C	.	.	H	α-helix	trans	-87.2	-28.8	-179.3	-68.2	-101.2	-72	0	0	113.3	P183 N209 Y210 N211	P183-M213 HydrophobicContact CB-SD 3.56Å; P183-M213 VanDerWaalsContact CB-SD 3.56Å; N209-M213 WeakPolarHBondContact O-CG 2.89Å; N209-M213 PolarHBondContact O-N 2.86Å; Y210-M213 PolarHBondContact O-N 3.15Å; N211-M213 PolarHBondContact O-N 2.93Å
214	N	90.7	Very high	93.1	Very high	28 Å²	28	34.2 Å²	34.2	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-129.2	8.1	-165.5	-59.5	-70	0	0	0	114.4	H175 K179 Y210 N211 S216 V219	H175-N214 PolarHBondContact CE1-O 3.47Å; K179-N214 WeakPolarHBondContact CE-OD1 2.82Å; K179-N214 PolarHBondContact NZ-OD1 2.85Å; Y210-N214 HydrophobicContact CD2-CB 4.39Å; Y210-N214 VanDerWaalsContact CD2-ND2 3.3Å; Y210-N214 WeakPolarHBondContact CD2-ND2 3.39Å; Y210-N214 HydrophobicContact CE1-CB 4.27Å; Y210-N214 HydrophobicContact CE2-CB 3.97Å; Y210-N214 VanDerWaalsContact CE2-ND2 3.25Å; Y210-N214 WeakPolarHBondContact CE2-ND2 3.09Å; Y210-N214 VanDerWaalsContact O-CB 3.24Å; Y210-N214 WeakPolarHBondContact O-CB 3.08Å; Y210-N214 PolarHBondContact O-N 2.97Å; Y210-N214 PolarHBondContact O-ND2 3.01Å; Y210-N214 VanDerWaalsContact O-ND2 3.11Å; N211-N214 PolarHBondContact O-N 3.37Å; N214-S216 PolarHBondContact O-N 2.91Å; N214-S216 PolarHBondContact O-OG 3.31Å; N214-V219 HydrophobicContact CB-CG2 4.39Å; N214-V219 VanDerWaalsContact O-CG2 3.26Å; N214-V219 WeakPolarHBondContact O-CG2 3.38Å
215	G	91.1	Very high	93.4	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	15%	0.145	C	C	.	.			trans	-50.7	113.1	-178.8	0	0	0	0	0	113	K179 R180 N211	K179-G215 WeakPolarHBondContact CA-O 3.17Å; R180-G215 PolarHBondContact N-O 2.73Å; N211-G215 VanDerWaalsContact O-CA 3.26Å; N211-G215 WeakPolarHBondContact O-CA 3.07Å; N211-G215 PolarHBondContact O-N 3.49Å
216	S	94.3	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-158.4	162.5	-176.7	62.6	0	0	0	0	110.1	H175 L178 R180 N214 I218 V219 D220	H175-S216 PolarHBondContact CE1-OG 3.07Å; H175-S216 PolarHBondContact ND1-OG 2.78Å; L178-S216 WeakPolarHBondContact O-CB 2.94Å; R180-S216 PolarHBondContact NH2-O 2.73Å; N214-S216 PolarHBondContact O-N 2.91Å; N214-S216 PolarHBondContact O-OG 3.31Å; S216-I218 PolarHBondContact O-N 3.09Å; S216-V219 PolarHBondContact O-N 3.36Å; S216-V219 VanDerWaalsContact O-N 3.12Å; S216-V219 WeakPolarHBondContact OG-CG2 3.42Å; S216-V219 PolarHBondContact OG-N 2.82Å; S216-D220 PolarHBondContact O-N 3.4Å
217	I	95.2	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-29.1	175.7	-169.3	63.1	0	0	0	113	L96 Y99 L178 D220 T221 F718 Y722	L96-I217 HydrophobicContact CD2-CG1 4.5Å; Y99-I217 HydrophobicContact CD1-CB 4.38Å; Y99-I217 HydrophobicContact CD1-CG1 3.92Å; Y99-I217 HydrophobicContact CD1-CG2 4.15Å; Y99-I217 HydrophobicContact CD2-CB 4.18Å; Y99-I217 HydrophobicContact CD2-CD1 3.58Å; Y99-I217 HydrophobicContact CD2-CG1 3.65Å; Y99-I217 HydrophobicContact CE1-CB 4.05Å; Y99-I217 HydrophobicContact CE1-CG1 4.12Å; Y99-I217 HydrophobicContact CE1-CG2 3.64Å; Y99-I217 HydrophobicContact CE2-CB 3.86Å; Y99-I217 HydrophobicContact CE2-CD1 4.01Å; Y99-I217 HydrophobicContact CE2-CG1 3.88Å; Y99-I217 HydrophobicContact CE2-CG2 4.34Å; Y99-I217 HydrophobicContact CG-CB 4.42Å; Y99-I217 HydrophobicContact CG-CD1 3.97Å; Y99-I217 HydrophobicContact CG-CG1 3.66Å; L178-I217 HydrophobicContact CB-CG2 4.26Å; L178-I217 HydrophobicContact CD1-CG2 3.71Å; I217-D220 PolarHBondContact O-N 3.02Å; I217-T221 VanDerWaalsContact O-CB 3.3Å; I217-T221 WeakPolarHBondContact O-CB 3.35Å; I217-T221 PolarHBondContact O-N 2.83Å; I217-T221 VanDerWaalsContact O-N 3.07Å; I217-T221 PolarHBondContact O-OG1 3.38Å; I217-F718 HydrophobicContact CD1-CE1 3.79Å; I217-F718 HydrophobicContact CD1-CZ 3.57Å; I217-Y722 HydrophobicContact CD1-CD2 4.16Å
218	I	97.2	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70	-41.3	178.3	-57.1	-54	0	0	0	110.3	L96 L171 L174 H175 S216 T221 F222 H223	L96-I218 HydrophobicContact CD2-CD1 4.13Å; L171-I218 HydrophobicContact CB-CG2 4.41Å; L171-I218 HydrophobicContact CD2-CD1 4.33Å; L171-I218 HydrophobicContact CD2-CG2 4.45Å; L174-I218 HydrophobicContact CB-CD1 3.83Å; L174-I218 HydrophobicContact CB-CG1 3.84Å; L174-I218 HydrophobicContact CD1-CD1 4.27Å; H175-I218 HydrophobicContact CB-CB 4.02Å; H175-I218 HydrophobicContact CB-CG1 4.18Å; H175-I218 HydrophobicContact CB-CG2 4.1Å; S216-I218 PolarHBondContact O-N 3.09Å; I218-T221 PolarHBondContact O-N 3Å; I218-F222 HydrophobicContact CD1-CE2 4.38Å; I218-F222 HydrophobicContact CG2-CD2 4.1Å; I218-F222 PolarHBondContact O-N 3.24Å; I218-H223 PolarHBondContact O-CD2 3.2Å
219	V	95.9	Very high	93.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-48.8	172.9	172.4	0	0	0	0	110.9	H175 W207 Y210 N211 N214 S216 T221 H223	H175-V219 VanDerWaalsContact CE1-CG2 3.41Å; H175-V219 WeakPolarHBondContact CE1-CG2 3.46Å; W207-V219 HydrophobicContact CH2-CG1 4.26Å; Y210-V219 HydrophobicContact CE1-CG1 4.07Å; Y210-V219 HydrophobicContact CE1-CG2 3.99Å; N211-V219 VanDerWaalsContact OD1-CG1 3.32Å; N211-V219 WeakPolarHBondContact OD1-CG1 3.23Å; N214-V219 HydrophobicContact CB-CG2 4.39Å; N214-V219 VanDerWaalsContact O-CG2 3.26Å; N214-V219 WeakPolarHBondContact O-CG2 3.38Å; S216-V219 PolarHBondContact O-N 3.36Å; S216-V219 VanDerWaalsContact O-N 3.12Å; S216-V219 WeakPolarHBondContact OG-CG2 3.42Å; S216-V219 PolarHBondContact OG-N 2.82Å; V219-T221 PolarHBondContact O-N 3.09Å; V219-T221 VanDerWaalsContact O-N 3.14Å; V219-H223 HydrophobicContact CB-CB 4.34Å; V219-H223 HydrophobicContact CG1-CB 4.09Å; V219-H223 HydrophobicContact CG2-CB 4.48Å; V219-H223 WeakPolarHBondContact O-CB 3.35Å; V219-H223 PolarHBondContact O-N 3.31Å
220	D	95.5	Very high	94	Very high	19 Å²	19	23 Å²	23	10%	0.102	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-31.3	179	-65.4	19.9	0	0	0	112.6	R180 S216 I217 P599 F718 Q725	R180-D220 IonicContact CZ-OD1 2.63Å; R180-D220 IonicContact CZ-OD2 2.62Å; R180-D220 IonicContact NH1-OD1 3.67Å; R180-D220 PolarHBondContact NH1-OD1 3.28Å; R180-D220 IonicContact NH1-OD2 3.88Å; R180-D220 IonicContact NH2-OD1 3.83Å; R180-D220 PolarHBondContact NH2-OD1 2.79Å; R180-D220 IonicContact NH2-OD2 3.56Å; R180-D220 PolarHBondContact NH2-OD2 3.21Å; S216-D220 PolarHBondContact O-N 3.4Å; I217-D220 PolarHBondContact O-N 3.02Å; D220-P599 VanDerWaalsContact O-CD 3.26Å; D220-P599 WeakPolarHBondContact O-CD 2.99Å; D220-P599 WeakPolarHBondContact O-CG 3.35Å; D220-F718 HydrophobicContact CB-CE2 3.86Å; D220-F718 HydrophobicContact CB-CZ 4.16Å; D220-Q725 PolarHBondContact OD1-OE1 2.93Å; D220-Q725 PolarHBondContact OD2-OE1 3.32Å
221	T	97	Very high	93.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-94.3	-48.2	-171.8	-54.6	0	0	0	0	112.7	T93 Q95 I217 I218 V219 P599 V600	T93-T221 HydrophobicContact CG2-CG2 4.08Å; Q95-T221 HydrophobicContact CB-CG2 3.84Å; Q95-T221 HydrophobicContact CG-CG2 4.13Å; I217-T221 VanDerWaalsContact O-CB 3.3Å; I217-T221 WeakPolarHBondContact O-CB 3.35Å; I217-T221 PolarHBondContact O-N 2.83Å; I217-T221 VanDerWaalsContact O-N 3.07Å; I217-T221 PolarHBondContact O-OG1 3.38Å; I218-T221 PolarHBondContact O-N 3Å; V219-T221 PolarHBondContact O-N 3.09Å; V219-T221 VanDerWaalsContact O-N 3.14Å; T221-P599 WeakPolarHBondContact O-CD 3.37Å; T221-V600 HydrophobicContact CG2-CB 4.14Å; T221-V600 HydrophobicContact CG2-CG2 3.67Å; T221-V600 WeakPolarHBondContact O-CB 3.39Å; T221-V600 PolarHBondContact O-N 2.79Å
222	F	98.2	Very high	93.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-116	-14	-166.1	-59.7	-77.5	0	0	0	114.4	L90 T93 L96 L171 I218 V246 P598 V600 I602	L90-F222 HydrophobicContact CD2-CE1 4.33Å; L90-F222 HydrophobicContact CD2-CZ 3.88Å; T93-F222 HydrophobicContact CG2-CE1 4.41Å; T93-F222 HydrophobicContact CG2-CZ 4.04Å; L96-F222 HydrophobicContact CD1-CE2 3.84Å; L96-F222 HydrophobicContact CD1-CZ 3.82Å; L96-F222 HydrophobicContact CD2-CE2 4.18Å; L96-F222 HydrophobicContact CG-CE2 4.15Å; L96-F222 HydrophobicContact CG-CZ 4.26Å; L171-F222 HydrophobicContact CD2-CD2 4.21Å; L171-F222 HydrophobicContact CD2-CE2 3.98Å; L171-F222 HydrophobicContact CD2-CZ 4.5Å; I218-F222 HydrophobicContact CD1-CE2 4.38Å; I218-F222 HydrophobicContact CG2-CD2 4.1Å; I218-F222 PolarHBondContact O-N 3.24Å; F222-V246 HydrophobicContact CB-CG1 4.06Å; F222-P598 VanDerWaalsContact C-CB 3.48Å; F222-P598 WeakPolarHBondContact O-CB 3.1Å; F222-V600 HydrophobicContact CD1-CB 3.73Å; F222-V600 HydrophobicContact CD1-CG1 3.69Å; F222-V600 HydrophobicContact CE1-CB 3.83Å; F222-V600 HydrophobicContact CE1-CG1 3.49Å; F222-V600 VanDerWaalsContact CE1-CG1 3.49Å; F222-V600 HydrophobicContact CE1-CG2 4.44Å; F222-I602 HydrophobicContact CD1-CD1 3.6Å; F222-I602 HydrophobicContact CD1-CG1 4Å; F222-I602 HydrophobicContact CE1-CD1 3.87Å; F222-I602 HydrophobicContact CE1-CG1 4.34Å; F222-I602 HydrophobicContact CG-CD1 4.45Å
223	H	98.1	Very high	93	Very high	11 Å²	11	18.6 Å²	18.6	5%	0.051	10%	0.099	C	C	.	.			trans	-90.6	130.8	-174.2	-67	-140.9	0	0	0	111.4	W207 Y210 I218 V219 F245 V246	W207-H223 HydrophobicContact CH2-CB 4.23Å; Y210-H223 AromaticContact CE1-ND1 3.71Å; Y210-H223 AromaticContact CZ-ND1 3.67Å; Y210-H223 PolarHBondContact OH-CE1 3.49Å; Y210-H223 PolarHBondContact OH-ND1 2.89Å; I218-H223 PolarHBondContact O-CD2 3.2Å; V219-H223 HydrophobicContact CB-CB 4.34Å; V219-H223 HydrophobicContact CG1-CB 4.09Å; V219-H223 HydrophobicContact CG2-CB 4.48Å; V219-H223 WeakPolarHBondContact O-CB 3.35Å; V219-H223 PolarHBondContact O-N 3.31Å; H223-F245 VanDerWaalsContact CA-O 3.28Å; H223-F245 WeakPolarHBondContact CA-O 3.39Å; H223-V246 WeakPolarHBondContact NE2-CG2 3.4Å
224	G	97.4	Very high	92.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-175.3	165.6	0	0	0	0	0	111.1	P244 F245 Q596	G224-P244 CarbonylContact O-C 3.53Å; G224-P244 VanDerWaalsContact O-CA 3.28Å; G224-P244 WeakPolarHBondContact O-CA 3.22Å; G224-F245 VanDerWaalsContact CA-CE1 3.44Å; G224-F245 PolarHBondContact N-O 2.83Å; G224-F245 WeakPolarHBondContact O-CD1 3.08Å; G224-F245 PolarHBondContact O-N 3.34Å; G224-Q596 CarbonylContact C-O 3.59Å; G224-Q596 WeakPolarHBondContact CA-O 3.49Å
225	L	97.5	Very high	91.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.9	175.6	-166.8	72.9	0	0	0	109.7	A203 W207 Y242 W595 Q596	A203-L225 HydrophobicContact CB-CD2 4.41Å; W207-L225 HydrophobicContact CB-CD2 4.28Å; W207-L225 HydrophobicContact CE3-CB 4.04Å; W207-L225 HydrophobicContact CE3-CD1 4.04Å; W207-L225 HydrophobicContact CE3-CG 4.47Å; W207-L225 HydrophobicContact CZ3-CB 4.33Å; L225-Y242 HydrophobicContact CD2-CD1 3.99Å; L225-Y242 HydrophobicContact CD2-CG 4.35Å; L225-Y242 HydrophobicContact CG-CD1 4.4Å; L225-W595 HydrophobicContact CB-CB 4.33Å; L225-W595 HydrophobicContact CD2-CB 4.16Å; L225-W595 HydrophobicContact CD2-CG 4.15Å; L225-W595 HydrophobicContact CG-CB 4.39Å; L225-W595 PolarHBondContact O-N 2.94Å; L225-Q596 HydrophobicContact CB-CB 3.92Å; L225-Q596 PolarHBondContact N-O 2.64Å; L225-Q596 PolarHBondContact O-N 2.86Å; L225-Q596 VanDerWaalsContact O-N 3.16Å
226	V	97	Very high	91.2	Very high	17 Å²	17	21.4 Å²	21.4	10%	0.103	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.8	173.2	72.4	0	0	0	0	109.1	Y242 D243 F245 L592 N593	V226-Y242 WeakPolarHBondContact O-CA 3.34Å; V226-D243 HydrophobicContact CG1-CB 4.21Å; V226-D243 WeakPolarHBondContact CG1-O 3.49Å; V226-D243 PolarHBondContact N-O 3.33Å; V226-D243 PolarHBondContact O-N 2.99Å; V226-F245 HydrophobicContact CB-CD1 3.98Å; V226-L592 HydrophobicContact CG2-CB 4.4Å; V226-L592 HydrophobicContact CG2-CD2 4.38Å; V226-N593 VanDerWaalsContact CG2-O 3.24Å; V226-N593 WeakPolarHBondContact CG2-O 3.26Å
227	C	95.2	Very high	90.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.6	172.4	172.8	0	0	0	0	108.4	T240 T241 Y242 L592 N593	C227-T240 WeakPolarHBondContact SG-CG2 3.17Å; C227-T241 WeakPolarHBondContact CA-O 3.45Å; C227-Y242 HydrophobicContact CB-CD1 3.94Å; C227-Y242 HydrophobicContact CB-CE1 3.69Å; C227-L592 WeakPolarHBondContact O-CA 3.39Å; C227-N593 VanDerWaalsContact CB-OD1 3.27Å; C227-N593 WeakPolarHBondContact CB-OD1 3.37Å; C227-N593 PolarHBondContact N-O 2.98Å; C227-N593 PolarHBondContact O-N 2.83Å
228	S	94.4	Very high	90.3	Very high	16 Å²	16	25.4 Å²	25.4	11%	0.112	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.7	171.2	-168.2	0	0	0	0	109.5	T240 T241 T591 L592	S228-T240 CarbonylContact O-C 3.57Å; S228-T240 VanDerWaalsContact O-CA 3.3Å; S228-T240 WeakPolarHBondContact O-CA 3.28Å; S228-T241 PolarHBondContact N-O 3.47Å; S228-T241 PolarHBondContact O-N 2.88Å; S228-T591 WeakPolarHBondContact CA-O 3.37Å; S228-L592 WeakPolarHBondContact OG-CD2 3.22Å
229	Q	92	Very high	89.9	Confident	72 Å²	72	27.1 Å²	27.1	34%	0.336	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125	176.4	-174.4	176.3	58.1	0	0	110.2	V231 S239 K590 T591	Q229-V231 HydrophobicContact CG-CG2 4Å; Q229-S239 CarbonylContact C-O 3.56Å; Q229-S239 WeakPolarHBondContact CA-O 3.46Å; Q229-K590 CarbonylContact O-C 3.56Å; Q229-K590 WeakPolarHBondContact O-CA 3.48Å; Q229-T591 PolarHBondContact N-O 3.1Å; Q229-T591 PolarHBondContact O-N 3.49Å
230	L	92.4	Very high	89.7	Confident	33 Å²	33	27.6 Å²	27.6	17%	0.173	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.7	171.4	-71.9	164.6	0	0	0	109.2	A238 S239 L571 W577 T589 K590	L230-A238 CarbonylContact O-C 3.57Å; L230-A238 WeakPolarHBondContact O-CA 3.5Å; L230-S239 PolarHBondContact N-O 2.79Å; L230-S239 PolarHBondContact O-N 2.73Å; L230-L571 HydrophobicContact CD2-CD1 3.61Å; L230-W577 HydrophobicContact CB-CD2 4.4Å; L230-W577 HydrophobicContact CD1-CD2 4.5Å; L230-W577 HydrophobicContact CD1-CG 4.32Å; L230-T589 CarbonylContact C-O 3.57Å; L230-T589 VanDerWaalsContact CA-O 3.24Å; L230-T589 WeakPolarHBondContact CA-O 3.24Å; L230-K590 HydrophobicContact CD2-CB 3.69Å; L230-K590 HydrophobicContact CD2-CD 4.23Å; L230-K590 HydrophobicContact CD2-CG 3.85Å
231	V	85.6	Confident	89.6	Confident	36 Å²	36	29.3 Å²	29.3	22%	0.218	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.4	175.3	-173.2	0	0	0	0	109.9	Q229 L233 K237 A238 A588 T589	Q229-V231 HydrophobicContact CG-CG2 4Å; V231-L233 PolarHBondContact O-N 2.79Å; V231-K237 WeakPolarHBondContact CA-O 3.44Å; V231-A238 HydrophobicContact CG2-CB 4.12Å; V231-A588 CarbonylContact O-C 3.49Å; V231-A588 WeakPolarHBondContact O-CA 3.46Å; V231-A588 WeakPolarHBondContact O-CB 3.41Å; V231-T589 WeakPolarHBondContact CB-OG1 3.47Å; V231-T589 PolarHBondContact N-O 2.92Å; V231-T589 PolarHBondContact O-N 2.97Å
232	C	83	Confident	89.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121	175	-171.2	0	0	0	0	109.7	F234 C235 G236 K237 W577 C579	C232-F234 PolarHBondContact O-N 3.09Å; C232-F234 PolarHBondContact SG-N 2.86Å; C232-F234 VanDerWaalsContact SG-N 3.39Å; C232-C235 VanDerWaalsContact CB-SG 3.57Å; C232-G236 VanDerWaalsContact O-CA 3.24Å; C232-G236 WeakPolarHBondContact O-CA 3.32Å; C232-G236 PolarHBondContact O-N 2.63Å; C232-K237 HydrophobicContact CB-CB 4.44Å; C232-K237 PolarHBondContact N-O 2.62Å; C232-W577 HydrophobicContact CB-CE3 4.24Å; C232-W577 HydrophobicContact CB-CZ3 3.7Å; C232-C579 HydrophobicContact CB-CB 4.43Å
233	L	78.9	Confident	89.3	Confident	68 Å²	68	33.1 Å²	33.1	36%	0.356	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.7	175.4	-68.1	-179	0	0	0	113.2	V231 I570 M587 T589	V231-L233 PolarHBondContact O-N 2.79Å; L233-I570 HydrophobicContact CD1-CD1 4.14Å; L233-I570 HydrophobicContact CD1-CG1 4.25Å; L233-I570 HydrophobicContact CD1-CG2 4.21Å; L233-M587 HydrophobicContact CB-CB 4.18Å; L233-M587 HydrophobicContact CD1-CB 4.08Å; L233-M587 HydrophobicContact CD1-CE 4.12Å; L233-M587 PolarHBondContact N-O 2.98Å; L233-T589 HydrophobicContact CD1-CG2 4.47Å; L233-T589 HydrophobicContact CD2-CG2 3.93Å; L233-T589 HydrophobicContact CG-CG2 4.43Å
234	F	75.1	Confident	89.2	Confident	106 Å²	106	34.3 Å²	34.3	47%	0.465	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-49.3	176.9	-177.3	-102.6	0	0	0	113.5	C232 C582 Q586	C232-F234 PolarHBondContact O-N 3.09Å; C232-F234 PolarHBondContact SG-N 2.86Å; C232-F234 VanDerWaalsContact SG-N 3.39Å; F234-C582 VanDerWaalsContact CD1-SG 3.58Å; F234-Q586 HydrophobicContact CB-CG 4.43Å
235	C	77.8	Confident	89.2	Confident	17 Å²	17	35.3 Å²	35.3	12%	0.115	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	4.5	-173.8	67.1	0	0	0	0	113.7	C232 K237 R581	C232-C235 VanDerWaalsContact CB-SG 3.57Å; C235-K237 PolarHBondContact O-N 2.86Å; C235-R581 PolarHBondContact O-NH1 2.97Å
236	G	78.1	Confident	89.1	Confident	49 Å²	49	36.5 Å²	36.5	51%	0.505	21%	0.212	S	C	.	.			trans	68.6	-3.9	-178.7	0	0	0	0	0	115.4	C232 A238	C232-G236 VanDerWaalsContact O-CA 3.24Å; C232-G236 WeakPolarHBondContact O-CA 3.32Å; C232-G236 PolarHBondContact O-N 2.63Å; G236-A238 PolarHBondContact O-N 2.9Å; G236-A238 VanDerWaalsContact O-N 3.09Å
237	K	83.2	Confident	89.1	Confident	46 Å²	46	37.7 Å²	37.7	20%	0.2	22%	0.216	C	C	.	.			trans	-55.6	121	179.7	177.9	171	176.2	164.7	0	110.1	V231 C232 C235 W577 D580 R581	V231-K237 WeakPolarHBondContact CA-O 3.44Å; C232-K237 HydrophobicContact CB-CB 4.44Å; C232-K237 PolarHBondContact N-O 2.62Å; C235-K237 PolarHBondContact O-N 2.86Å; K237-W577 HydrophobicContact CG-CH2 4.46Å; K237-D580 WeakPolarHBondContact CD-OD1 3.24Å; K237-D580 WeakPolarHBondContact CE-OD1 3.32Å; K237-D580 IonicContact NZ-OD1 2.73Å; K237-D580 PolarHBondContact NZ-OD1 2.72Å; K237-D580 IonicContact NZ-OD2 3.6Å; K237-D580 PolarHBondContact NZ-OD2 2.85Å; K237-R581 HydrophobicContact CB-CB 4.49Å; K237-R581 HydrophobicContact CD-CB 3.9Å
238	A	87.4	Confident	89.1	Confident	39 Å²	39	37.7 Å²	37.7	32%	0.322	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.9	171.7	0	0	0	0	0	110.7	L230 V231 G236	L230-A238 CarbonylContact O-C 3.57Å; L230-A238 WeakPolarHBondContact O-CA 3.5Å; V231-A238 HydrophobicContact CG2-CB 4.12Å; G236-A238 PolarHBondContact O-N 2.9Å; G236-A238 VanDerWaalsContact O-N 3.09Å
239	S	89.2	Confident	89	Confident	35 Å²	35	38.4 Å²	38.4	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.2	168.3	177.3	0	0	0	0	107.4	Q229 L230	Q229-S239 CarbonylContact C-O 3.56Å; Q229-S239 WeakPolarHBondContact CA-O 3.46Å; L230-S239 PolarHBondContact N-O 2.79Å; L230-S239 PolarHBondContact O-N 2.73Å
240	T	91.5	Very high	88.9	Confident	11 Å²	11	35 Å²	35	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.4	179.4	-55.3	0	0	0	0	109.4	C227 S228 Y242	C227-T240 WeakPolarHBondContact SG-CG2 3.17Å; S228-T240 CarbonylContact O-C 3.57Å; S228-T240 VanDerWaalsContact O-CA 3.3Å; S228-T240 WeakPolarHBondContact O-CA 3.28Å; T240-Y242 HydrophobicContact CG2-CE2 3.93Å
241	T	92	Very high	88.3	Confident	56 Å²	56	35.2 Å²	35.2	34%	0.344	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.6	172.4	65.9	0	0	0	0	110.7	C227 S228 D243	C227-T241 WeakPolarHBondContact CA-O 3.45Å; S228-T241 PolarHBondContact N-O 3.47Å; S228-T241 PolarHBondContact O-N 2.88Å; T241-D243 PolarHBondContact OG1-OD2 3.34Å
242	Y	95.2	Very high	87.8	Confident	20 Å²	20	33.8 Å²	33.8	8%	0.078	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.1	178.1	-68.3	-84.1	0	0	0	108.7	I199 L202 A203 L225 V226 C227 T240 W595	I199-Y242 PolarHBondContact O-OH 3.32Å; L202-Y242 HydrophobicContact CB-CE2 4.16Å; L202-Y242 HydrophobicContact CD2-CD2 4.28Å; L202-Y242 HydrophobicContact CD2-CE2 3.92Å; L202-Y242 HydrophobicContact CG-CD2 4.15Å; L202-Y242 HydrophobicContact CG-CE2 4.01Å; A203-Y242 HydrophobicContact CB-CD1 3.68Å; A203-Y242 HydrophobicContact CB-CD2 4.18Å; A203-Y242 HydrophobicContact CB-CE1 3.42Å; A203-Y242 VanDerWaalsContact CB-CE1 3.42Å; A203-Y242 HydrophobicContact CB-CE2 3.96Å; A203-Y242 HydrophobicContact CB-CG 4.04Å; L225-Y242 HydrophobicContact CD2-CD1 3.99Å; L225-Y242 HydrophobicContact CD2-CG 4.35Å; L225-Y242 HydrophobicContact CG-CD1 4.4Å; V226-Y242 WeakPolarHBondContact O-CA 3.34Å; C227-Y242 HydrophobicContact CB-CD1 3.94Å; C227-Y242 HydrophobicContact CB-CE1 3.69Å; T240-Y242 HydrophobicContact CG2-CE2 3.93Å; Y242-W595 HydrophobicContact CD1-CB 4.28Å; Y242-W595 HydrophobicContact CD1-CD2 4.44Å; Y242-W595 HydrophobicContact CD1-CG 4.29Å; Y242-W595 HydrophobicContact CE1-CB 4.26Å; Y242-W595 AromaticContact CE1-CD2 3.74Å; Y242-W595 HydrophobicContact CE1-CD2 3.74Å; Y242-W595 AromaticContact CE1-CE3 3.59Å; Y242-W595 HydrophobicContact CE1-CE3 3.59Å; Y242-W595 HydrophobicContact CE1-CG 4.03Å; Y242-W595 HydrophobicContact CE1-CZ3 4.21Å
243	D	94.2	Very high	87.1	Confident	60 Å²	60	35.1 Å²	35.1	32%	0.321	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.1	-170.9	-64.7	-71.5	0	0	0	110.3	V226 T241	V226-D243 HydrophobicContact CG1-CB 4.21Å; V226-D243 WeakPolarHBondContact CG1-O 3.49Å; V226-D243 PolarHBondContact N-O 3.33Å; V226-D243 PolarHBondContact O-N 2.99Å; T241-D243 PolarHBondContact OG1-OD2 3.34Å
244	P	96.6	Very high	86.3	Confident	36 Å²	36	37.8 Å²	37.8	23%	0.234	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.5	174.7	30.7	-36.5	0	0	0	110.4	Y210 G224	Y210-P244 HydrophobicContact CD1-CB 4.04Å; Y210-P244 HydrophobicContact CD2-CB 4.11Å; Y210-P244 HydrophobicContact CD2-CG 3.73Å; Y210-P244 HydrophobicContact CE1-CB 3.69Å; Y210-P244 HydrophobicContact CE1-CG 4.3Å; Y210-P244 HydrophobicContact CE2-CB 3.8Å; Y210-P244 HydrophobicContact CE2-CG 3.45Å; Y210-P244 VanDerWaalsContact CE2-CG 3.45Å; Y210-P244 HydrophobicContact CG-CB 4.23Å; Y210-P244 HydrophobicContact CG-CG 4.29Å; G224-P244 CarbonylContact O-C 3.53Å; G224-P244 VanDerWaalsContact O-CA 3.28Å; G224-P244 WeakPolarHBondContact O-CA 3.22Å
245	F	96.5	Very high	85.3	Confident	21 Å²	21	40 Å²	40	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.1	173.3	76.5	-87.9	0	0	0	111.5	H223 G224 V226 V248 F594 P598 L601	H223-F245 VanDerWaalsContact CA-O 3.28Å; H223-F245 WeakPolarHBondContact CA-O 3.39Å; G224-F245 VanDerWaalsContact CA-CE1 3.44Å; G224-F245 PolarHBondContact N-O 2.83Å; G224-F245 WeakPolarHBondContact O-CD1 3.08Å; G224-F245 PolarHBondContact O-N 3.34Å; V226-F245 HydrophobicContact CB-CD1 3.98Å; F245-V248 HydrophobicContact CD2-CG2 3.91Å; F245-V248 HydrophobicContact CE2-CG2 3.61Å; F245-V248 HydrophobicContact CZ-CG2 4.47Å; F245-F594 HydrophobicContact CD1-CD1 4.42Å; F245-F594 AromaticContact CE1-CD1 3.57Å; F245-F594 HydrophobicContact CE1-CD1 3.57Å; F245-F594 AromaticContact CE1-CE1 3.9Å; F245-F594 HydrophobicContact CE1-CE1 3.9Å; F245-F594 HydrophobicContact CE2-CD1 4.38Å; F245-F594 AromaticContact CE2-CE1 3.99Å; F245-F594 HydrophobicContact CE2-CE1 3.99Å; F245-F594 AromaticContact CZ-CD1 3.54Å; F245-F594 HydrophobicContact CZ-CD1 3.54Å; F245-F594 AromaticContact CZ-CE1 3.62Å; F245-F594 HydrophobicContact CZ-CE1 3.62Å; F245-P598 HydrophobicContact CE2-CG 4.31Å; F245-P598 HydrophobicContact CZ-CG 4.32Å; F245-L601 HydrophobicContact CE2-CD1 4.01Å
246	V	96.9	Very high	84.2	Confident	25 Å²	25	41.9 Å²	41.9	15%	0.152	24%	0.236	C	C	.	.	S	Bend	trans	-111.6	-42.5	174.1	-175.9	0	0	0	0	110.8	L171 F222 H223	L171-V246 HydrophobicContact CD1-CG1 3.82Å; F222-V246 HydrophobicContact CB-CG1 4.06Å; H223-V246 WeakPolarHBondContact NE2-CG2 3.4Å
247	F	96	Very high	82.9	Confident	42 Å²	42	47.1 Å²	47.1	18%	0.184	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.3	-178.4	-52	-72.6	0	0	0	110.5	L167 S168 L171 I602	L167-F247 HydrophobicContact CD2-CE1 3.57Å; L167-F247 HydrophobicContact CD2-CZ 4.19Å; L167-F247 HydrophobicContact CG-CE1 3.74Å; L167-F247 HydrophobicContact CG-CZ 3.85Å; S168-F247 WeakPolarHBondContact OG-CE2 3.39Å; L171-F247 HydrophobicContact CD1-CE1 4.16Å; L171-F247 HydrophobicContact CD1-CZ 3.85Å; F247-I602 HydrophobicContact CD1-CB 3.91Å; F247-I602 HydrophobicContact CD1-CD1 4.22Å; F247-I602 HydrophobicContact CD1-CG2 3.71Å; F247-I602 HydrophobicContact CE1-CB 4.37Å; F247-I602 HydrophobicContact CE1-CD1 3.85Å; F247-I602 HydrophobicContact CE1-CG2 4.08Å
248	V	96	Very high	81.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	96.8	164.7	-174.6	0	0	0	0	108.3	F245 V250 M562 F565 F594 L601 I602 I603 Q604	F245-V248 HydrophobicContact CD2-CG2 3.91Å; F245-V248 HydrophobicContact CE2-CG2 3.61Å; F245-V248 HydrophobicContact CZ-CG2 4.47Å; V248-V250 HydrophobicContact CG1-CG1 3.97Å; V248-V250 PolarHBondContact O-N 2.98Å; V248-M562 HydrophobicContact CG1-CE 4.09Å; V248-M562 HydrophobicContact CG1-SD 3.9Å; V248-F565 HydrophobicContact CG1-CD1 4.27Å; V248-F565 HydrophobicContact CG1-CE1 4.08Å; V248-F565 HydrophobicContact CG1-CE2 4.45Å; V248-F565 HydrophobicContact CG1-CZ 4.17Å; V248-F594 HydrophobicContact CG1-CZ 3.91Å; V248-F594 HydrophobicContact CG2-CE1 3.68Å; V248-F594 HydrophobicContact CG2-CZ 3.76Å; V248-L601 HydrophobicContact CG2-CD1 3.71Å; V248-I602 PolarHBondContact N-O 2.8Å; V248-I603 HydrophobicContact CB-CG1 4.39Å; V248-I603 WeakPolarHBondContact O-CA 3.02Å; V248-Q604 PolarHBondContact O-N 2.79Å
249	S	92.4	Very high	80.4	Confident	31 Å²	31	48.7 Å²	48.7	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	92.2	-178.9	-49.4	0	0	0	0	111.1	Q604 K606	S249-Q604 CarbonylContact C-O 3.59Å; S249-Q604 WeakPolarHBondContact CA-O 3.1Å; S249-Q604 PolarHBondContact OG-OE1 3.06Å; S249-K606 WeakPolarHBondContact O-CE 3.49Å
250	V	88.8	Confident	79.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.4	-177.2	-70.2	0	0	0	0	112	V248 L558 M561 M562 F565 I603 Q604 I605 K606	V248-V250 HydrophobicContact CG1-CG1 3.97Å; V248-V250 PolarHBondContact O-N 2.98Å; V250-L558 HydrophobicContact CG2-CD1 4.12Å; V250-M561 HydrophobicContact CB-CB 4.33Å; V250-M561 HydrophobicContact CB-CE 3.94Å; V250-M561 HydrophobicContact CG2-CE 3.46Å; V250-M561 VanDerWaalsContact CG2-CE 3.46Å; V250-M562 HydrophobicContact CG1-CG 4.41Å; V250-M562 HydrophobicContact CG1-SD 3.48Å; V250-M562 WeakPolarHBondContact CG1-SD 3.49Å; V250-F565 HydrophobicContact CG1-CB 4.19Å; V250-F565 HydrophobicContact CG1-CD2 4.46Å; V250-F565 HydrophobicContact CG1-CG 4.38Å; V250-I603 HydrophobicContact CG2-CG2 3.81Å; V250-Q604 WeakPolarHBondContact CG2-O 3.32Å; V250-Q604 PolarHBondContact N-O 3.36Å; V250-I605 HydrophobicContact CG2-CG1 4.42Å; V250-K606 PolarHBondContact O-N 2.78Å
251	P	80.1	Confident	78.9	Confident	38 Å²	38	48.1 Å²	48.1	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.7	172.8	30.5	-32.6	0	0	0	110.6	M561 Y564	P251-M561 VanDerWaalsContact O-CE 3.29Å; P251-M561 WeakPolarHBondContact O-CE 3.33Å; P251-Y564 HydrophobicContact CG-CD1 3.77Å; P251-Y564 HydrophobicContact CG-CE1 3.52Å
252	L	75.9	Confident	78.4	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-66	146.3	161.4	-78.6	115.3	0	0	0	109.4	K254 M561 I605 K606 R607 I619 T621 V623	L252-K254 PolarHBondContact O-N 3.37Å; L252-K254 VanDerWaalsContact O-N 3.09Å; L252-M561 HydrophobicContact CG-CE 4.22Å; L252-I605 HydrophobicContact CD1-CG2 3.65Å; L252-I605 HydrophobicContact CG-CG2 4.06Å; L252-K606 WeakPolarHBondContact CD1-O 3.49Å; L252-R607 HydrophobicContact CD1-CG 4.05Å; L252-I619 HydrophobicContact CB-CD1 4.41Å; L252-I619 HydrophobicContact CD1-CB 4.08Å; L252-I619 HydrophobicContact CD1-CD1 4.11Å; L252-I619 HydrophobicContact CD1-CG2 4.05Å; L252-I619 HydrophobicContact CD2-CG2 3.85Å; L252-I619 HydrophobicContact CG-CG2 4.39Å; L252-T621 HydrophobicContact CD2-CG2 4.49Å; L252-V623 HydrophobicContact CD2-CG2 3.79Å
253	P	66.9	Low	77.8	Confident	28 Å²	28	44.9 Å²	44.9	18%	0.182	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-56	120.1	170.5	-21.5	32.1	0	0	0	109.3	N283 V556	P253-N283 HydrophobicContact CB-CB 4.08Å; P253-V556 HydrophobicContact CG-CG1 3.93Å; P253-V556 HydrophobicContact CG-CG2 4.24Å
254	K	62	Low	77.3	Confident	124 Å²	124	45 Å²	45	54%	0.539	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-76.2	167.5	163	-56	-179.5	178.2	177.5	0	108.1	L252 S282 N283	L252-K254 PolarHBondContact O-N 3.37Å; L252-K254 VanDerWaalsContact O-N 3.09Å; K254-S282 CarbonylContact O-C 3.53Å; K254-N283 WeakPolarHBondContact CA-OD1 3.42Å; K254-N283 WeakPolarHBondContact CB-ND2 3.48Å; K254-N283 WeakPolarHBondContact CB-OD1 3.39Å; K254-N283 PolarHBondContact N-ND2 3.29Å; K254-N283 PolarHBondContact N-OD1 3.25Å; K254-N283 PolarHBondContact O-N 3.37Å; K254-N283 PolarHBondContact O-OD1 2.99Å
255	Q	55.1	Low	76.5	Confident	153 Å²	153	44 Å²	44	72%	0.715	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.7	166.2	-77.2	176.7	-14.9	0	0	107.3	S280 F281	Q255-S280 PolarHBondContact OE1-OG 3.5Å; Q255-F281 CarbonylContact C-O 3.57Å; Q255-F281 WeakPolarHBondContact CA-O 3.3Å
256	H	55.1	Low	75.7	Confident	57 Å²	57	44.3 Å²	44.3	26%	0.264	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133	168.5	-76.3	-65.8	0	0	0	109.3	F281 N283 T327	H256-F281 PolarHBondContact N-O 2.57Å; H256-F281 PolarHBondContact O-N 2.78Å; H256-N283 VanDerWaalsContact CD2-CG 3.5Å; H256-N283 PolarHBondContact CD2-OD1 2.93Å; H256-N283 PolarHBondContact NE2-OD1 3.47Å; H256-N283 VanDerWaalsContact NE2-OD1 3.1Å; H256-T327 HydrophobicContact CB-CG2 3.53Å; H256-T327 PolarHBondContact CD2-OG1 3.19Å; H256-T327 VanDerWaalsContact CD2-OG1 3.23Å; H256-T327 PolarHBondContact NE2-OG1 2.84Å
257	K	51.1	Low	74.6	Confident	159 Å²	159	49 Å²	49	69%	0.691	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-87.1	118.6	162.2	-167.2	174.2	177.2	-179.8	0	106.8	E259	K257-E259 PolarHBondContact O-N 3.32Å
258	I	60.3	Low	73.2	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.077	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.2	121.2	164.5	-50	174.3	0	0	0	106	V261 P277 F281 L290 L325 I334	I258-V261 HydrophobicContact CB-CG2 4.3Å; I258-V261 HydrophobicContact CD1-CG2 4.35Å; I258-V261 HydrophobicContact CG2-CG2 3.51Å; I258-P277 HydrophobicContact CB-CG 4.41Å; I258-P277 HydrophobicContact CD1-CG 4.48Å; I258-F281 HydrophobicContact CD1-CD2 3.48Å; I258-F281 VanDerWaalsContact CD1-CD2 3.48Å; I258-F281 HydrophobicContact CD1-CE2 3.49Å; I258-F281 VanDerWaalsContact CD1-CE2 3.49Å; I258-F281 HydrophobicContact CD1-CG 4.35Å; I258-F281 HydrophobicContact CD1-CZ 4.39Å; I258-F281 HydrophobicContact CG1-CD2 3.78Å; I258-F281 HydrophobicContact CG1-CE2 4.18Å; I258-L290 HydrophobicContact CD1-CD1 4.01Å; I258-L290 HydrophobicContact CD1-CD2 4Å; I258-L290 HydrophobicContact CD1-CG 4.49Å; I258-L325 HydrophobicContact CD1-CD1 3.82Å; I258-L325 HydrophobicContact CD1-CD2 3.49Å; I258-L325 VanDerWaalsContact CD1-CD2 3.49Å; I258-L325 HydrophobicContact CD1-CG 4.05Å; I258-L325 HydrophobicContact CG1-CD2 3.97Å; I258-I334 HydrophobicContact CD1-CD1 4.29Å; I258-I334 HydrophobicContact CG2-CD1 4.05Å
259	E	57.7	Low	71.9	Confident	102 Å²	102	61.9 Å²	61.9	48%	0.477	30%	0.296	S	S	.	.			trans	-82.6	-36.1	-177.8	-70	-170.7	174.5	0	0	112.5	K257	K257-E259 PolarHBondContact O-N 3.32Å
260	K	69.8	Low	70.8	Confident	35 Å²	35	64.2 Å²	64.2	15%	0.152	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	101.3	-170.1	-57.4	-172.9	-178.6	-161.9	0	112.3	Y262 T333 I334 D423	K260-Y262 HydrophobicContact CB-CE2 4.49Å; K260-T333 HydrophobicContact CB-CG2 4.25Å; K260-I334 PolarHBondContact O-N 2.79Å; K260-D423 IonicContact NZ-OD1 2.58Å; K260-D423 PolarHBondContact NZ-OD1 2.58Å; K260-D423 IonicContact NZ-OD2 2.98Å; K260-D423 PolarHBondContact NZ-OD2 2.99Å
261	V	78.2	Confident	69.9	Low	0 Å²	0	66 Å²	66	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128	166.4	-174.7	0	0	0	0	107.8	I258 F275 P277 L290 I334 I336	I258-V261 HydrophobicContact CB-CG2 4.3Å; I258-V261 HydrophobicContact CD1-CG2 4.35Å; I258-V261 HydrophobicContact CG2-CG2 3.51Å; V261-F275 HydrophobicContact CB-CB 4.3Å; V261-F275 HydrophobicContact CB-CD1 4.08Å; V261-F275 WeakPolarHBondContact CB-O 3.36Å; V261-F275 HydrophobicContact CG1-CB 4.45Å; V261-F275 HydrophobicContact CG1-CD1 4.07Å; V261-F275 PolarHBondContact N-O 2.83Å; V261-F275 CarbonylContact O-C 3.55Å; V261-F275 WeakPolarHBondContact O-CA 3.22Å; V261-F275 PolarHBondContact O-N 2.75Å; V261-P277 HydrophobicContact CG2-CG 4.09Å; V261-L290 HydrophobicContact CG2-CD1 4.2Å; V261-L290 HydrophobicContact CG2-CD2 4.33Å; V261-I334 CarbonylContact C-O 3.46Å; V261-I334 VanDerWaalsContact CA-O 3.3Å; V261-I334 WeakPolarHBondContact CA-O 3.43Å; V261-I334 HydrophobicContact CG2-CB 4.41Å; V261-I336 HydrophobicContact CG1-CD1 3.43Å; V261-I336 VanDerWaalsContact CG1-CD1 3.43Å; V261-I336 HydrophobicContact CG1-CG1 3.87Å
262	Y	81.1	Confident	69.5	Low	1 Å²	1	64.6 Å²	64.6	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.6	170.8	-67.2	-93.5	0	0	0	109.3	K260 W264 V273 L274 T333 I334 F335 I336 L422 V535	K260-Y262 HydrophobicContact CB-CE2 4.49Å; Y262-W264 HydrophobicContact CD1-CZ3 4.38Å; Y262-W264 AromaticContact CG-CZ3 3.99Å; Y262-W264 HydrophobicContact CG-CZ3 3.99Å; Y262-V273 CarbonylContact C-O 3.54Å; Y262-V273 WeakPolarHBondContact CA-O 3.41Å; Y262-L274 HydrophobicContact CD1-CB 4.32Å; Y262-L274 HydrophobicContact CD1-CD1 4.18Å; Y262-L274 HydrophobicContact CD2-CD1 4.46Å; Y262-L274 HydrophobicContact CE1-CB 4.19Å; Y262-L274 HydrophobicContact CE1-CD1 3.87Å; Y262-L274 HydrophobicContact CE2-CD1 4.15Å; Y262-L274 HydrophobicContact CG-CD1 4.47Å; Y262-T333 HydrophobicContact CD2-CG2 3.31Å; Y262-T333 HydrophobicContact CE2-CG2 3.32Å; Y262-I334 PolarHBondContact N-O 2.78Å; Y262-F335 HydrophobicContact CD2-CE1 4.49Å; Y262-F335 HydrophobicContact CD2-CZ 4.44Å; Y262-F335 CarbonylContact O-C 3.53Å; Y262-I336 PolarHBondContact O-N 2.94Å; Y262-L422 HydrophobicContact CE1-CB 4.41Å; Y262-L422 HydrophobicContact CE1-CD1 4.15Å; Y262-V535 HydrophobicContact CD1-CG1 4.13Å; Y262-V535 HydrophobicContact CE1-CG1 3.97Å; Y262-V535 HydrophobicContact CE1-CG2 4.36Å
263	Y	82.4	Confident	69.6	Low	7 Å²	7	64.9 Å²	64.9	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.2	173.1	175.5	-103.3	0	0	0	109.5	P265 P272 V273 V294 F298 T300 L305 I336 E338	Y263-P265 HydrophobicContact CD1-CG 4.01Å; Y263-P265 HydrophobicContact CE1-CB 4.01Å; Y263-P265 HydrophobicContact CE1-CG 3.71Å; Y263-P272 CarbonylContact O-C 3.52Å; Y263-P272 WeakPolarHBondContact O-CA 3.3Å; Y263-V273 PolarHBondContact N-O 3.38Å; Y263-V273 PolarHBondContact O-N 2.72Å; Y263-V294 HydrophobicContact CD2-CG1 3.62Å; Y263-V294 HydrophobicContact CE2-CG1 4.06Å; Y263-V294 HydrophobicContact CG-CG1 4.5Å; Y263-F298 AromaticContact CD1-CD1 3.65Å; Y263-F298 HydrophobicContact CD1-CD1 3.65Å; Y263-F298 AromaticContact CD1-CD2 3.99Å; Y263-F298 HydrophobicContact CD1-CD2 3.99Å; Y263-F298 AromaticContact CD1-CE1 3.7Å; Y263-F298 HydrophobicContact CD1-CE1 3.7Å; Y263-F298 HydrophobicContact CD1-CE2 4.05Å; Y263-F298 AromaticContact CD1-CG 3.81Å; Y263-F298 HydrophobicContact CD1-CG 3.81Å; Y263-F298 AromaticContact CD1-CZ 3.9Å; Y263-F298 HydrophobicContact CD1-CZ 3.9Å; Y263-F298 AromaticContact CD2-CD2 3.88Å; Y263-F298 HydrophobicContact CD2-CD2 3.88Å; Y263-F298 HydrophobicContact CD2-CE2 4.16Å; Y263-F298 HydrophobicContact CD2-CG 4.29Å; Y263-F298 HydrophobicContact CE1-CB 3.98Å; Y263-F298 AromaticContact CE1-CD1 3.68Å; Y263-F298 HydrophobicContact CE1-CD1 3.68Å; Y263-F298 HydrophobicContact CE1-CD2 4.24Å; Y263-F298 HydrophobicContact CE1-CE1 4.2Å; Y263-F298 AromaticContact CE1-CG 3.7Å; Y263-F298 HydrophobicContact CE1-CG 3.7Å; Y263-F298 HydrophobicContact CE2-CB 4.19Å; Y263-F298 HydrophobicContact CE2-CD2 4.11Å; Y263-F298 HydrophobicContact CE2-CG 4.17Å; Y263-F298 HydrophobicContact CG-CD1 4.29Å; Y263-F298 AromaticContact CG-CD2 3.79Å; Y263-F298 HydrophobicContact CG-CD2 3.79Å; Y263-F298 HydrophobicContact CG-CE1 4.21Å; Y263-F298 AromaticContact CG-CE2 3.72Å; Y263-F298 HydrophobicContact CG-CE2 3.72Å; Y263-F298 HydrophobicContact CG-CG 4.09Å; Y263-F298 AromaticContact CG-CZ 3.94Å; Y263-F298 HydrophobicContact CG-CZ 3.94Å; Y263-F298 AromaticContact CZ-CG 3.88Å; Y263-T300 PolarHBondContact OH-OG1 2.81Å; Y263-L305 HydrophobicContact CE2-CD2 3.88Å; Y263-I336 CarbonylContact C-O 2.97Å; Y263-I336 WeakPolarHBondContact CA-O 3.23Å; Y263-I336 HydrophobicContact CD2-CG2 4.4Å; Y263-E338 HydrophobicContact CE2-CB 4.16Å; Y263-E338 PolarHBondContact OH-OE2 3.01Å
264	W	85.5	Confident	70.2	Confident	62 Å²	62	63.9 Å²	63.9	24%	0.235	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.8	173	-103.7	-94.5	0	0	0	108.2	Y262 P272 F335 I336 F337 E338	Y262-W264 HydrophobicContact CD1-CZ3 4.38Å; Y262-W264 AromaticContact CG-CZ3 3.99Å; Y262-W264 HydrophobicContact CG-CZ3 3.99Å; W264-P272 HydrophobicContact CD2-CB 3.75Å; W264-P272 HydrophobicContact CD2-CG 3.83Å; W264-P272 HydrophobicContact CE3-CB 3.99Å; W264-P272 HydrophobicContact CE3-CG 4.5Å; W264-P272 HydrophobicContact CG-CB 4.3Å; W264-P272 HydrophobicContact CG-CG 4.21Å; W264-P272 HydrophobicContact CH2-CB 3.92Å; W264-P272 HydrophobicContact CH2-CG 4.09Å; W264-P272 HydrophobicContact CZ2-CB 3.72Å; W264-P272 HydrophobicContact CZ2-CG 3.39Å; W264-P272 HydrophobicContact CZ3-CB 4.06Å; W264-P272 VanDerWaalsContact NE1-CG 3.3Å; W264-F335 AromaticContact CE3-CD1 3.75Å; W264-F335 HydrophobicContact CE3-CD1 3.75Å; W264-F335 HydrophobicContact CE3-CE1 4.43Å; W264-F335 AromaticContact CH2-CD1 3.6Å; W264-F335 HydrophobicContact CH2-CD1 3.6Å; W264-F335 AromaticContact CH2-CE1 3.44Å; W264-F335 HydrophobicContact CH2-CE1 3.44Å; W264-F335 VanDerWaalsContact CH2-CE1 3.44Å; W264-F335 AromaticContact CZ3-CD1 3.07Å; W264-F335 HydrophobicContact CZ3-CD1 3.07Å; W264-F335 AromaticContact CZ3-CE1 3.36Å; W264-F335 HydrophobicContact CZ3-CE1 3.36Å; W264-F335 HydrophobicContact CZ3-CG 4.2Å; W264-I336 PolarHBondContact N-O 2.85Å; W264-F337 HydrophobicContact CB-CD1 3.47Å; W264-F337 VanDerWaalsContact CB-CD1 3.47Å; W264-F337 HydrophobicContact CB-CE1 3.94Å; W264-F337 HydrophobicContact CB-CG 4.22Å; W264-F337 HydrophobicContact CD2-CD1 4.26Å; W264-F337 AromaticContact CD2-CE1 3.77Å; W264-F337 HydrophobicContact CD2-CE1 3.77Å; W264-F337 HydrophobicContact CD2-CZ 4.47Å; W264-F337 HydrophobicContact CE3-CE1 4.19Å; W264-F337 HydrophobicContact CE3-CZ 4.49Å; W264-F337 AromaticContact CG-CD1 3.71Å; W264-F337 HydrophobicContact CG-CD1 3.71Å; W264-F337 AromaticContact CG-CE1 3.66Å; W264-F337 HydrophobicContact CG-CE1 3.66Å; W264-E338 PolarHBondContact O-N 2.99Å
265	P	79.8	Confident	70.9	Confident	16 Å²	16	58.1 Å²	58.1	10%	0.104	28%	0.276	C	S	.	.			trans	-61.1	156.1	174.8	-18.4	29.9	0	0	0	112.3	Y263 K267 E270 E338	Y263-P265 HydrophobicContact CD1-CG 4.01Å; Y263-P265 HydrophobicContact CE1-CB 4.01Å; Y263-P265 HydrophobicContact CE1-CG 3.71Å; P265-K267 PolarHBondContact O-N 2.83Å; P265-E270 HydrophobicContact CB-CB 3.91Å; P265-E270 VanDerWaalsContact CB-OE2 3.28Å; P265-E270 WeakPolarHBondContact CB-OE2 3.46Å; P265-E270 HydrophobicContact CG-CB 3.8Å; P265-E338 WeakPolarHBondContact CA-OE2 3.48Å
266	A	79	Confident	71.8	Confident	27 Å²	27	56.1 Å²	56.1	22%	0.223	26%	0.262	C	S	.	.	S	Bend	trans	-66	-30.2	177.4	0	0	0	0	0	112.3	E338 L340	A266-E338 HydrophobicContact CB-CB 4.15Å; A266-E338 HydrophobicContact CB-CG 3.61Å; A266-E338 PolarHBondContact N-OE2 3.34Å; A266-L340 HydrophobicContact CB-CD2 3.74Å; A266-L340 HydrophobicContact CB-CG 4.3Å
267	K	72.6	Confident	72.5	Confident	122 Å²	122	54.2 Å²	54.2	53%	0.53	25%	0.254	S	S	.	.	S	Bend	trans	-76.6	126.6	179.8	-61.7	-163.7	-152.2	133.9	0	110.7	P265 D269 E270	P265-K267 PolarHBondContact O-N 2.83Å; K267-D269 WeakPolarHBondContact CB-OD1 3.01Å; K267-D269 PolarHBondContact O-N 3.37Å; K267-E270 HydrophobicContact CB-CB 4.45Å; K267-E270 HydrophobicContact CB-CG 4.01Å; K267-E270 WeakPolarHBondContact CD-OE1 3.31Å; K267-E270 IonicContact NZ-OE1 3.5Å; K267-E270 PolarHBondContact NZ-OE1 3.18Å; K267-E270 PolarHBondContact O-N 2.98Å
268	F	66.8	Low	73.1	Confident	201 Å²	201	50.7 Å²	50.7	88%	0.882	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.1	-174.8	70.6	-90.8	0	0	0	114.5
269	D	68.5	Low	73	Confident	114 Å²	114	53 Å²	53	61%	0.61	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.6	-179.2	62.4	-30.9	0	0	0	113.3	K267	K267-D269 WeakPolarHBondContact CB-OD1 3.01Å; K267-D269 PolarHBondContact O-N 3.37Å
270	E	71.1	Confident	73.4	Confident	80 Å²	80	50.6 Å²	50.6	37%	0.374	26%	0.259	S	S	.	.	S	Bend	trans	-88	131.2	176.1	-66.7	-178.9	-171.7	0	0	110.7	P265 K267	P265-E270 HydrophobicContact CB-CB 3.91Å; P265-E270 VanDerWaalsContact CB-OE2 3.28Å; P265-E270 WeakPolarHBondContact CB-OE2 3.46Å; P265-E270 HydrophobicContact CG-CB 3.8Å; K267-E270 HydrophobicContact CB-CB 4.45Å; K267-E270 HydrophobicContact CB-CG 4.01Å; K267-E270 WeakPolarHBondContact CD-OE1 3.31Å; K267-E270 IonicContact NZ-OE1 3.5Å; K267-E270 PolarHBondContact NZ-OE1 3.18Å; K267-E270 PolarHBondContact O-N 2.98Å
271	P	68.1	Low	73.1	Confident	37 Å²	37	49.5 Å²	49.5	24%	0.24	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.4	150.3	179.4	27.4	-33	0	0	0	111.6	W534 E536	P271-W534 WeakPolarHBondContact CB-O 3.48Å; P271-E536 HydrophobicContact CB-CG 4.29Å; P271-E536 HydrophobicContact CG-CG 3.66Å
272	P	72.8	Confident	72.3	Confident	9 Å²	9	52 Å²	52	6%	0.058	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-59.7	145.5	170.1	-22.1	34.8	0	0	0	111.4	Y263 W264 W534 V535 E536	Y263-P272 CarbonylContact O-C 3.52Å; Y263-P272 WeakPolarHBondContact O-CA 3.3Å; W264-P272 HydrophobicContact CD2-CB 3.75Å; W264-P272 HydrophobicContact CD2-CG 3.83Å; W264-P272 HydrophobicContact CE3-CB 3.99Å; W264-P272 HydrophobicContact CE3-CG 4.5Å; W264-P272 HydrophobicContact CG-CB 4.3Å; W264-P272 HydrophobicContact CG-CG 4.21Å; W264-P272 HydrophobicContact CH2-CB 3.92Å; W264-P272 HydrophobicContact CH2-CG 4.09Å; W264-P272 HydrophobicContact CZ2-CB 3.72Å; W264-P272 HydrophobicContact CZ2-CG 3.39Å; W264-P272 HydrophobicContact CZ3-CB 4.06Å; W264-P272 VanDerWaalsContact NE1-CG 3.3Å; P272-W534 WeakPolarHBondContact CD-O 3.45Å; P272-V535 CarbonylContact O-C 3.6Å; P272-V535 VanDerWaalsContact O-CA 3.32Å; P272-V535 WeakPolarHBondContact O-CA 3.29Å; P272-V535 WeakPolarHBondContact O-CG1 3.47Å; P272-E536 PolarHBondContact O-N 3.08Å
273	V	77.5	Confident	71.3	Confident	13 Å²	13	52.2 Å²	52.2	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	-178.3	-177.9	0	0	0	0	110	Y262 Y263 F275 F298 E536 K538	Y262-V273 CarbonylContact C-O 3.54Å; Y262-V273 WeakPolarHBondContact CA-O 3.41Å; Y263-V273 PolarHBondContact N-O 3.38Å; Y263-V273 PolarHBondContact O-N 2.72Å; V273-F275 PolarHBondContact O-N 3.26Å; V273-F275 VanDerWaalsContact O-N 3.13Å; V273-F298 HydrophobicContact CB-CE1 4.2Å; V273-F298 HydrophobicContact CB-CZ 4.2Å; V273-F298 HydrophobicContact CG1-CE1 4.06Å; V273-F298 HydrophobicContact CG1-CZ 3.95Å; V273-F298 HydrophobicContact CG2-CE1 4.27Å; V273-E536 WeakPolarHBondContact CA-O 3.5Å; V273-K538 HydrophobicContact CG1-CB 3.94Å
274	L	79.5	Confident	70.2	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	104.2	166.5	178.3	64	0	0	0	108.8	Y262 V535 E536	Y262-L274 HydrophobicContact CD1-CB 4.32Å; Y262-L274 HydrophobicContact CD1-CD1 4.18Å; Y262-L274 HydrophobicContact CD2-CD1 4.46Å; Y262-L274 HydrophobicContact CE1-CB 4.19Å; Y262-L274 HydrophobicContact CE1-CD1 3.87Å; Y262-L274 HydrophobicContact CE2-CD1 4.15Å; Y262-L274 HydrophobicContact CG-CD1 4.47Å; L274-V535 HydrophobicContact CB-CG1 4.03Å; L274-E536 PolarHBondContact N-O 3.3Å
275	F	76.4	Confident	69.5	Low	4 Å²	4	51 Å²	51	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.1	177.5	178.3	-117.3	0	0	0	110.6	V261 V273 P277 L290 T293 V294 T297 F298 I541	V261-F275 HydrophobicContact CB-CB 4.3Å; V261-F275 HydrophobicContact CB-CD1 4.08Å; V261-F275 WeakPolarHBondContact CB-O 3.36Å; V261-F275 HydrophobicContact CG1-CB 4.45Å; V261-F275 HydrophobicContact CG1-CD1 4.07Å; V261-F275 PolarHBondContact N-O 2.83Å; V261-F275 CarbonylContact O-C 3.55Å; V261-F275 WeakPolarHBondContact O-CA 3.22Å; V261-F275 PolarHBondContact O-N 2.75Å; V273-F275 PolarHBondContact O-N 3.26Å; V273-F275 VanDerWaalsContact O-N 3.13Å; F275-P277 HydrophobicContact CD1-CG 4.11Å; F275-P277 HydrophobicContact CE1-CB 4.05Å; F275-P277 HydrophobicContact CE1-CG 3.78Å; F275-P277 HydrophobicContact CZ-CB 4.36Å; F275-P277 WeakPolarHBondContact O-CD 3.26Å; F275-L290 HydrophobicContact CE1-CD1 4.45Å; F275-T293 HydrophobicContact CE1-CG2 4.4Å; F275-T293 HydrophobicContact CZ-CG2 4.03Å; F275-V294 HydrophobicContact CD1-CG2 3.65Å; F275-V294 HydrophobicContact CE1-CG2 3.48Å; F275-V294 VanDerWaalsContact CE1-CG2 3.48Å; F275-V294 HydrophobicContact CZ-CG2 4.36Å; F275-T297 HydrophobicContact CD2-CG2 4.18Å; F275-T297 HydrophobicContact CE2-CG2 3.69Å; F275-T297 HydrophobicContact CZ-CG2 4.48Å; F275-F298 HydrophobicContact CB-CE2 4.18Å; F275-F298 HydrophobicContact CB-CZ 4.26Å; F275-F298 AromaticContact CD2-CE2 3.85Å; F275-F298 HydrophobicContact CD2-CE2 3.85Å; F275-F298 HydrophobicContact CD2-CZ 4.12Å; F275-F298 HydrophobicContact CE2-CE2 4.46Å; F275-F298 HydrophobicContact CG-CE2 4.01Å; F275-F298 HydrophobicContact CG-CZ 4.41Å; F275-I541 HydrophobicContact CE2-CD1 4.35Å
276	R	73.6	Confident	69.4	Low	111 Å²	111	53.1 Å²	53.1	42%	0.419	28%	0.278	S	S	.	.			trans	-99	112.5	166.6	-62.9	-164.4	-170	91.4	-0.4	108.5	D539	R276-D539 IonicContact CZ-OD1 2.9Å; R276-D539 IonicContact NH1-OD1 2.64Å; R276-D539 PolarHBondContact NH1-OD1 2.87Å; R276-D539 IonicContact NH2-OD1 3.65Å
277	P	70.1	Confident	69.3	Low	16 Å²	16	52 Å²	52	10%	0.104	27%	0.268	C	S	.	.			trans	-56	135.9	179.1	-25.4	33.7	0	0	0	111.5	I258 V261 F275 C279 F281 L290	I258-P277 HydrophobicContact CB-CG 4.41Å; I258-P277 HydrophobicContact CD1-CG 4.48Å; V261-P277 HydrophobicContact CG2-CG 4.09Å; F275-P277 HydrophobicContact CD1-CG 4.11Å; F275-P277 HydrophobicContact CE1-CB 4.05Å; F275-P277 HydrophobicContact CE1-CG 3.78Å; F275-P277 HydrophobicContact CZ-CB 4.36Å; F275-P277 WeakPolarHBondContact O-CD 3.26Å; P277-C279 PolarHBondContact O-N 3.4Å; P277-F281 HydrophobicContact CB-CE2 3.54Å; P277-F281 HydrophobicContact CB-CZ 4.16Å; P277-F281 HydrophobicContact CG-CE2 3.76Å; P277-F281 HydrophobicContact CG-CZ 4.5Å; P277-L290 HydrophobicContact CG-CD1 4.27Å
278	P	64.2	Low	69.8	Low	86 Å²	86	50.5 Å²	50.5	56%	0.558	26%	0.263	S	S	*	.	S	Bend	trans	-71.3	-18.3	-177.1	28.8	-35.3	0	0	0	112.7	T293	P278-T293 HydrophobicContact CG-CG2 4.42Å
279	C	59.2	Low	70.5	Confident	64 Å²	64	44.6 Å²	44.6	43%	0.432	24%	0.241	S	C	.	.	S	Bend	trans	-119.1	155.1	-180	58.1	0	0	0	0	111.5	P277	P277-C279 PolarHBondContact O-N 3.4Å
280	S	64.6	Low	71.1	Confident	51 Å²	51	39.2 Å²	39.2	36%	0.357	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-75.9	137.2	162.9	58.3	0	0	0	0	109.5	Q255	Q255-S280 PolarHBondContact OE1-OG 3.5Å
281	F	65.1	Low	71.9	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.6	171.5	-66.9	-87.8	0	0	0	109.7	Q255 H256 I258 P277 A285 D289 L290 T293 L325	Q255-F281 CarbonylContact C-O 3.57Å; Q255-F281 WeakPolarHBondContact CA-O 3.3Å; H256-F281 PolarHBondContact N-O 2.57Å; H256-F281 PolarHBondContact O-N 2.78Å; I258-F281 HydrophobicContact CD1-CD2 3.48Å; I258-F281 VanDerWaalsContact CD1-CD2 3.48Å; I258-F281 HydrophobicContact CD1-CE2 3.49Å; I258-F281 VanDerWaalsContact CD1-CE2 3.49Å; I258-F281 HydrophobicContact CD1-CG 4.35Å; I258-F281 HydrophobicContact CD1-CZ 4.39Å; I258-F281 HydrophobicContact CG1-CD2 3.78Å; I258-F281 HydrophobicContact CG1-CE2 4.18Å; P277-F281 HydrophobicContact CB-CE2 3.54Å; P277-F281 HydrophobicContact CB-CZ 4.16Å; P277-F281 HydrophobicContact CG-CE2 3.76Å; P277-F281 HydrophobicContact CG-CZ 4.5Å; F281-A285 HydrophobicContact CB-CB 3.78Å; F281-A285 HydrophobicContact CD1-CB 4.01Å; F281-A285 HydrophobicContact CG-CB 4.34Å; F281-D289 HydrophobicContact CD1-CB 4.34Å; F281-D289 HydrophobicContact CE1-CB 4.24Å; F281-L290 HydrophobicContact CE1-CB 4.24Å; F281-L290 HydrophobicContact CE2-CD1 3.98Å; F281-L290 HydrophobicContact CZ-CB 4.12Å; F281-L290 HydrophobicContact CZ-CD1 3.68Å; F281-T293 HydrophobicContact CZ-CG2 4.48Å; F281-L325 HydrophobicContact CB-CD2 3.6Å; F281-L325 HydrophobicContact CD1-CD2 4.03Å; F281-L325 HydrophobicContact CD2-CD2 3.95Å; F281-L325 HydrophobicContact CG-CD2 3.58Å
282	S	60.2	Low	72.7	Confident	52 Å²	52	36.5 Å²	36.5	36%	0.364	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	157.5	167.9	61	0	0	0	0	109.9	K254 D284 A285	K254-S282 CarbonylContact O-C 3.53Å; S282-D284 WeakPolarHBondContact CB-OD1 3.4Å; S282-D284 PolarHBondContact O-N 3.4Å; S282-D284 PolarHBondContact OG-OD1 2.8Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.1Å
283	N	60.6	Low	73.2	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.037	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.2	-179.6	-83.2	19.1	0	0	0	114	P253 K254 H256 A285 R324 Y564	P253-N283 HydrophobicContact CB-CB 4.08Å; K254-N283 WeakPolarHBondContact CA-OD1 3.42Å; K254-N283 WeakPolarHBondContact CB-ND2 3.48Å; K254-N283 WeakPolarHBondContact CB-OD1 3.39Å; K254-N283 PolarHBondContact N-ND2 3.29Å; K254-N283 PolarHBondContact N-OD1 3.25Å; K254-N283 PolarHBondContact O-N 3.37Å; K254-N283 PolarHBondContact O-OD1 2.99Å; H256-N283 VanDerWaalsContact CD2-CG 3.5Å; H256-N283 PolarHBondContact CD2-OD1 2.93Å; H256-N283 PolarHBondContact NE2-OD1 3.47Å; H256-N283 VanDerWaalsContact NE2-OD1 3.1Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-R324 PolarHBondContact O-NE 3.35Å; N283-Y564 HydrophobicContact CB-CD2 4.25Å; N283-Y564 HydrophobicContact CB-CE2 3.53Å; N283-Y564 PolarHBondContact ND2-OH 3.3Å; N283-Y564 WeakPolarHBondContact O-CD2 3.4Å; N283-Y564 WeakPolarHBondContact O-CE2 3.46Å
284	D	59.9	Low	73.6	Confident	39 Å²	39	36.1 Å²	36.1	21%	0.209	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.6	175.9	61.4	-33.9	0	0	0	113.4	S282 Y564	S282-D284 WeakPolarHBondContact CB-OD1 3.4Å; S282-D284 PolarHBondContact O-N 3.4Å; S282-D284 PolarHBondContact OG-OD1 2.8Å; D284-Y564 HydrophobicContact CB-CD2 4.39Å
285	A	70.6	Confident	74	Confident	3 Å²	3	36 Å²	36	3%	0.025	20%	0.2	C	C	.	.			trans	-57.7	141.6	175.3	0	0	0	0	0	110.9	F281 S282 N283 D289 L325	F281-A285 HydrophobicContact CB-CB 3.78Å; F281-A285 HydrophobicContact CD1-CB 4.01Å; F281-A285 HydrophobicContact CG-CB 4.34Å; S282-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 PolarHBondContact O-N 3.1Å; N283-A285 VanDerWaalsContact C-N 3.32Å; A285-D289 WeakPolarHBondContact CA-OD2 3.42Å; A285-L325 HydrophobicContact CB-CB 4.46Å; A285-L325 HydrophobicContact CB-CD2 4.2Å; A285-L325 WeakPolarHBondContact O-CB 3.36Å; A285-L325 PolarHBondContact O-N 2.72Å
286	R	76.9	Confident	74.4	Confident	62 Å²	62	40.1 Å²	40.1	23%	0.234	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-101	163.8	178.1	-59.1	-165.5	-176.3	-74.6	-14.8	110.1	E288 D289 G322 D323 D567	R286-E288 PolarHBondContact O-N 3.18Å; R286-D289 PolarHBondContact N-OD2 2.89Å; R286-D289 WeakPolarHBondContact O-CB 3.22Å; R286-D289 PolarHBondContact O-N 2.82Å; R286-G322 PolarHBondContact NH1-O 2.7Å; R286-D323 WeakPolarHBondContact CA-O 3.44Å; R286-D323 WeakPolarHBondContact CB-O 3.14Å; R286-D567 IonicContact NH1-OD2 3.57Å
287	F	77.4	Confident	75	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-33.3	174	-85.2	-76	0	0	0	113	D289 L290 L291 A307 H319 D323 R324 L325 F326 I334	F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.92Å; F287-L290 HydrophobicContact CD1-CD2 4.48Å; F287-L290 CarbonylContact O-C 3.49Å; F287-L290 WeakPolarHBondContact O-CB 3.13Å; F287-L290 PolarHBondContact O-N 2.88Å; F287-L290 VanDerWaalsContact O-N 3.09Å; F287-L291 WeakPolarHBondContact O-CG 3.5Å; F287-L291 PolarHBondContact O-N 3.36Å; F287-A307 HydrophobicContact CD1-CB 3.96Å; F287-A307 HydrophobicContact CE1-CB 4.4Å; F287-H319 HydrophobicContact CB-CB 4.13Å; F287-H319 HydrophobicContact CD1-CB 3.74Å; F287-H319 AromaticContact CD1-CD2 3.67Å; F287-H319 AromaticContact CD1-CG 3.57Å; F287-H319 HydrophobicContact CD2-CB 3.64Å; F287-H319 AromaticContact CD2-CG 3.47Å; F287-H319 VanDerWaalsContact CD2-CG 3.47Å; F287-H319 AromaticContact CD2-ND1 3.39Å; F287-H319 WeakPolarHBondContact CD2-ND1 3.41Å; F287-H319 HydrophobicContact CE1-CB 4.08Å; F287-H319 AromaticContact CE1-CD2 3.12Å; F287-H319 WeakPolarHBondContact CE1-CD2 3.49Å; F287-H319 AromaticContact CE1-CE1 3.71Å; F287-H319 AromaticContact CE1-CG 3.37Å; F287-H319 AromaticContact CE1-ND1 3.76Å; F287-H319 AromaticContact CE1-NE2 3.36Å; F287-H319 WeakPolarHBondContact CE1-NE2 3.21Å; F287-H319 HydrophobicContact CE2-CB 3.98Å; F287-H319 AromaticContact CE2-CD2 3.76Å; F287-H319 AromaticContact CE2-CE1 3.08Å; F287-H319 WeakPolarHBondContact CE2-CE1 3.41Å; F287-H319 AromaticContact CE2-CG 3.26Å; F287-H319 AromaticContact CE2-ND1 2.82Å; F287-H319 WeakPolarHBondContact CE2-ND1 3.27Å; F287-H319 AromaticContact CE2-NE2 3.67Å; F287-H319 HydrophobicContact CG-CB 3.52Å; F287-H319 AromaticContact CG-CG 3.63Å; F287-H319 HydrophobicContact CZ-CB 4.22Å; F287-H319 AromaticContact CZ-CD2 3.2Å; F287-H319 WeakPolarHBondContact CZ-CD2 3.37Å; F287-H319 AromaticContact CZ-CE1 2.89Å; F287-H319 WeakPolarHBondContact CZ-CE1 3.24Å; F287-H319 AromaticContact CZ-CG 3.24Å; F287-H319 AromaticContact CZ-ND1 3.09Å; F287-H319 WeakPolarHBondContact CZ-ND1 3.44Å; F287-H319 AromaticContact CZ-NE2 2.99Å; F287-H319 WeakPolarHBondContact CZ-NE2 3.4Å; F287-D323 HydrophobicContact CD2-CB 3.63Å; F287-D323 WeakPolarHBondContact CD2-O 3.49Å; F287-D323 HydrophobicContact CE2-CB 4.26Å; F287-D323 PolarHBondContact N-O 3.37Å; F287-R324 WeakPolarHBondContact CD2-O 3.44Å; F287-R324 WeakPolarHBondContact CE2-O 3.49Å; F287-L325 HydrophobicContact CD1-CD1 3.83Å; F287-L325 HydrophobicContact CE1-CD1 3.57Å; F287-L325 VanDerWaalsContact CE2-CA 3.48Å; F287-L325 HydrophobicContact CG-CD1 4.44Å; F287-L325 HydrophobicContact CZ-CD1 3.95Å; F287-F326 HydrophobicContact CE2-CB 4.32Å; F287-F326 HydrophobicContact CZ-CB 3.72Å; F287-I334 HydrophobicContact CE1-CD1 4.03Å; F287-I334 HydrophobicContact CE1-CG2 4.49Å
288	E	82.1	Confident	75.8	Confident	91 Å²	91	37.7 Å²	37.7	43%	0.425	21%	0.214	S	C	.	.	H	α-helix	trans	-57.8	-35.8	174.7	-68.1	165.8	-160.5	0	0	112.9	R286 L290 L291 A292 P321 G322	R286-E288 PolarHBondContact O-N 3.18Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L291 PolarHBondContact O-N 3.16Å; E288-A292 VanDerWaalsContact O-CB 3.26Å; E288-A292 WeakPolarHBondContact O-CB 3.3Å; E288-A292 PolarHBondContact O-N 2.87Å; E288-P321 VanDerWaalsContact OE1-C 3.27Å; E288-P321 WeakPolarHBondContact OE1-CA 3.2Å; E288-P321 VanDerWaalsContact OE1-CB 3.22Å; E288-P321 WeakPolarHBondContact OE1-CB 3.45Å; E288-G322 PolarHBondContact OE1-N 2.82Å
289	D	82.2	Confident	76.9	Confident	77 Å²	77	41 Å²	41	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-66.8	-39.5	176.8	-57.9	-46.4	0	0	0	110.9	F281 A285 R286 F287 T293	F281-D289 HydrophobicContact CD1-CB 4.34Å; F281-D289 HydrophobicContact CE1-CB 4.24Å; A285-D289 WeakPolarHBondContact CA-OD2 3.42Å; R286-D289 PolarHBondContact N-OD2 2.89Å; R286-D289 WeakPolarHBondContact O-CB 3.22Å; R286-D289 PolarHBondContact O-N 2.82Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.92Å; D289-T293 WeakPolarHBondContact O-CB 3.4Å; D289-T293 PolarHBondContact O-N 3.1Å; D289-T293 PolarHBondContact O-OG1 3.28Å
290	L	81.1	Confident	78.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-46.2	173.5	175	62.3	0	0	0	111	I258 V261 F275 P277 F281 F287 E288 A292 T293 V294 L325 I334 I336	I258-L290 HydrophobicContact CD1-CD1 4.01Å; I258-L290 HydrophobicContact CD1-CD2 4Å; I258-L290 HydrophobicContact CD1-CG 4.49Å; V261-L290 HydrophobicContact CG2-CD1 4.2Å; V261-L290 HydrophobicContact CG2-CD2 4.33Å; F275-L290 HydrophobicContact CE1-CD1 4.45Å; P277-L290 HydrophobicContact CG-CD1 4.27Å; F281-L290 HydrophobicContact CE1-CB 4.24Å; F281-L290 HydrophobicContact CE2-CD1 3.98Å; F281-L290 HydrophobicContact CZ-CB 4.12Å; F281-L290 HydrophobicContact CZ-CD1 3.68Å; F287-L290 HydrophobicContact CD1-CD2 4.48Å; F287-L290 CarbonylContact O-C 3.49Å; F287-L290 WeakPolarHBondContact O-CB 3.13Å; F287-L290 PolarHBondContact O-N 2.88Å; F287-L290 VanDerWaalsContact O-N 3.09Å; E288-L290 VanDerWaalsContact C-N 3.34Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.33Å; L290-T293 WeakPolarHBondContact O-CB 3.39Å; L290-T293 PolarHBondContact O-N 3.19Å; L290-V294 HydrophobicContact CD1-CG2 3.87Å; L290-V294 HydrophobicContact CG-CG2 4.25Å; L290-V294 WeakPolarHBondContact O-CB 3.44Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.94Å; L290-L325 HydrophobicContact CB-CD1 4.03Å; L290-L325 HydrophobicContact CD2-CD1 3.74Å; L290-I334 HydrophobicContact CD2-CD1 3.92Å; L290-I334 HydrophobicContact CD2-CG2 4.06Å; L290-I336 HydrophobicContact CD1-CD1 4.46Å; L290-I336 HydrophobicContact CD2-CD1 3.96Å; L290-I336 HydrophobicContact CG-CD1 3.95Å
291	L	87	Confident	79.2	Confident	23 Å²	23	38.5 Å²	38.5	12%	0.12	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-37.4	177.8	-64.7	-171.4	0	0	0	111.7	F287 E288 V294 G295 P302 L305 A307 I336	F287-L291 WeakPolarHBondContact O-CG 3.5Å; F287-L291 PolarHBondContact O-N 3.36Å; E288-L291 PolarHBondContact O-N 3.16Å; L291-V294 PolarHBondContact O-N 2.94Å; L291-G295 WeakPolarHBondContact O-CA 3Å; L291-G295 PolarHBondContact O-N 2.82Å; L291-P302 HydrophobicContact CB-CB 4.24Å; L291-L305 HydrophobicContact CB-CD1 4.33Å; L291-L305 HydrophobicContact CD1-CB 4.25Å; L291-L305 HydrophobicContact CD2-CB 3.68Å; L291-L305 HydrophobicContact CD2-CD1 4.25Å; L291-L305 HydrophobicContact CG-CB 4.35Å; L291-L305 WeakPolarHBondContact O-CD1 3.29Å; L291-A307 HydrophobicContact CD2-CB 4.05Å; L291-I336 HydrophobicContact CD2-CD1 4.17Å; L291-I336 HydrophobicContact CD2-CG1 4.48Å; L291-I336 HydrophobicContact CD2-CG2 3.97Å
292	A	86.3	Confident	80.3	Confident	37 Å²	37	40.7 Å²	40.7	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-64.2	-43.6	173.8	0	0	0	0	0	111.7	E288 L290 Q296 P302	E288-A292 VanDerWaalsContact O-CB 3.26Å; E288-A292 WeakPolarHBondContact O-CB 3.3Å; E288-A292 PolarHBondContact O-N 2.87Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.33Å; A292-Q296 VanDerWaalsContact O-CB 3.31Å; A292-Q296 WeakPolarHBondContact O-CB 3.34Å; A292-Q296 PolarHBondContact O-N 3.16Å; A292-P302 HydrophobicContact CB-CG 4.49Å
293	T	83.4	Confident	81.4	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-43.2	177	-55.1	0	0	0	0	111.3	F275 P278 F281 D289 L290 T297	F275-T293 HydrophobicContact CE1-CG2 4.4Å; F275-T293 HydrophobicContact CZ-CG2 4.03Å; P278-T293 HydrophobicContact CG-CG2 4.42Å; F281-T293 HydrophobicContact CZ-CG2 4.48Å; D289-T293 WeakPolarHBondContact O-CB 3.4Å; D289-T293 PolarHBondContact O-N 3.1Å; D289-T293 PolarHBondContact O-OG1 3.28Å; L290-T293 WeakPolarHBondContact O-CB 3.39Å; L290-T293 PolarHBondContact O-N 3.19Å; T293-T297 WeakPolarHBondContact O-CB 3.41Å; T293-T297 PolarHBondContact O-N 2.9Å; T293-T297 VanDerWaalsContact O-N 3.08Å; T293-T297 PolarHBondContact O-OG1 3.25Å
294	V	85.8	Confident	82.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.7	-47.9	179	173	0	0	0	0	110.2	Y263 F275 L290 L291 Q296 T297 F298 L305 I336	Y263-V294 HydrophobicContact CD2-CG1 3.62Å; Y263-V294 HydrophobicContact CE2-CG1 4.06Å; Y263-V294 HydrophobicContact CG-CG1 4.5Å; F275-V294 HydrophobicContact CD1-CG2 3.65Å; F275-V294 HydrophobicContact CE1-CG2 3.48Å; F275-V294 VanDerWaalsContact CE1-CG2 3.48Å; F275-V294 HydrophobicContact CZ-CG2 4.36Å; L290-V294 HydrophobicContact CD1-CG2 3.87Å; L290-V294 HydrophobicContact CG-CG2 4.25Å; L290-V294 WeakPolarHBondContact O-CB 3.44Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.94Å; L291-V294 PolarHBondContact O-N 2.94Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 2.67Å; V294-T297 WeakPolarHBondContact O-CA 3.33Å; V294-T297 WeakPolarHBondContact O-CB 3.49Å; V294-T297 PolarHBondContact O-N 2.93Å; V294-F298 HydrophobicContact CG1-CD2 3.72Å; V294-F298 HydrophobicContact CG1-CE2 4.1Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.24Å; V294-F298 PolarHBondContact O-N 2.86Å; V294-L305 HydrophobicContact CB-CD1 4.1Å; V294-L305 HydrophobicContact CG1-CD1 3.84Å; V294-I336 HydrophobicContact CB-CD1 4.18Å; V294-I336 HydrophobicContact CG1-CD1 4.14Å; V294-I336 HydrophobicContact CG1-CG2 4.21Å; V294-I336 HydrophobicContact CG2-CD1 3.48Å; V294-I336 VanDerWaalsContact CG2-CD1 3.48Å
295	G	87.3	Confident	83.9	Confident	3 Å²	3	42 Å²	42	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-41.8	177	0	0	0	0	0	112.5	L291 T297 N299 T300	L291-G295 WeakPolarHBondContact O-CA 3Å; L291-G295 PolarHBondContact O-N 2.82Å; G295-T297 VanDerWaalsContact C-N 3.33Å; G295-T297 PolarHBondContact O-N 3.3Å; G295-N299 CarbonylContact O-C 3.54Å; G295-N299 WeakPolarHBondContact O-CA 3.25Å; G295-N299 PolarHBondContact O-N 2.93Å; G295-T300 CarbonylContact C-O 3.48Å; G295-T300 WeakPolarHBondContact CA-O 3.41Å; G295-T300 PolarHBondContact O-N 3.37Å
296	Q	85.8	Confident	84.6	Confident	92 Å²	92	44.3 Å²	44.3	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-40.9	172.5	-171.9	-173.6	15	0	0	112.1	A292 V294 G545 L547	A292-Q296 VanDerWaalsContact O-CB 3.31Å; A292-Q296 WeakPolarHBondContact O-CB 3.34Å; A292-Q296 PolarHBondContact O-N 3.16Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 2.67Å; Q296-G545 PolarHBondContact NE2-O 3.31Å; Q296-L547 VanDerWaalsContact OE1-CD1 3.25Å; Q296-L547 VanDerWaalsContact OE1-CG 3.24Å
297	T	84.2	Confident	84.9	Confident	37 Å²	37	41.4 Å²	41.4	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-42.2	-177.2	-63.4	0	0	0	0	112.7	F275 T293 V294 G295 I541	F275-T297 HydrophobicContact CD2-CG2 4.18Å; F275-T297 HydrophobicContact CE2-CG2 3.69Å; F275-T297 HydrophobicContact CZ-CG2 4.48Å; T293-T297 WeakPolarHBondContact O-CB 3.41Å; T293-T297 PolarHBondContact O-N 2.9Å; T293-T297 VanDerWaalsContact O-N 3.08Å; T293-T297 PolarHBondContact O-OG1 3.25Å; V294-T297 WeakPolarHBondContact O-CA 3.33Å; V294-T297 WeakPolarHBondContact O-CB 3.49Å; V294-T297 PolarHBondContact O-N 2.93Å; G295-T297 VanDerWaalsContact C-N 3.33Å; G295-T297 PolarHBondContact O-N 3.3Å; T297-I541 HydrophobicContact CG2-CD1 3.09Å
298	F	87.1	Confident	85.1	Confident	39 Å²	39	41.8 Å²	41.8	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-100.6	3	-176.1	-64.1	-79.2	0	0	0	113.2	Y263 V273 F275 V294	Y263-F298 AromaticContact CD1-CD1 3.65Å; Y263-F298 HydrophobicContact CD1-CD1 3.65Å; Y263-F298 AromaticContact CD1-CD2 3.99Å; Y263-F298 HydrophobicContact CD1-CD2 3.99Å; Y263-F298 AromaticContact CD1-CE1 3.7Å; Y263-F298 HydrophobicContact CD1-CE1 3.7Å; Y263-F298 HydrophobicContact CD1-CE2 4.05Å; Y263-F298 AromaticContact CD1-CG 3.81Å; Y263-F298 HydrophobicContact CD1-CG 3.81Å; Y263-F298 AromaticContact CD1-CZ 3.9Å; Y263-F298 HydrophobicContact CD1-CZ 3.9Å; Y263-F298 AromaticContact CD2-CD2 3.88Å; Y263-F298 HydrophobicContact CD2-CD2 3.88Å; Y263-F298 HydrophobicContact CD2-CE2 4.16Å; Y263-F298 HydrophobicContact CD2-CG 4.29Å; Y263-F298 HydrophobicContact CE1-CB 3.98Å; Y263-F298 AromaticContact CE1-CD1 3.68Å; Y263-F298 HydrophobicContact CE1-CD1 3.68Å; Y263-F298 HydrophobicContact CE1-CD2 4.24Å; Y263-F298 HydrophobicContact CE1-CE1 4.2Å; Y263-F298 AromaticContact CE1-CG 3.7Å; Y263-F298 HydrophobicContact CE1-CG 3.7Å; Y263-F298 HydrophobicContact CE2-CB 4.19Å; Y263-F298 HydrophobicContact CE2-CD2 4.11Å; Y263-F298 HydrophobicContact CE2-CG 4.17Å; Y263-F298 HydrophobicContact CG-CD1 4.29Å; Y263-F298 AromaticContact CG-CD2 3.79Å; Y263-F298 HydrophobicContact CG-CD2 3.79Å; Y263-F298 HydrophobicContact CG-CE1 4.21Å; Y263-F298 AromaticContact CG-CE2 3.72Å; Y263-F298 HydrophobicContact CG-CE2 3.72Å; Y263-F298 HydrophobicContact CG-CG 4.09Å; Y263-F298 AromaticContact CG-CZ 3.94Å; Y263-F298 HydrophobicContact CG-CZ 3.94Å; Y263-F298 AromaticContact CZ-CG 3.88Å; V273-F298 HydrophobicContact CB-CE1 4.2Å; V273-F298 HydrophobicContact CB-CZ 4.2Å; V273-F298 HydrophobicContact CG1-CE1 4.06Å; V273-F298 HydrophobicContact CG1-CZ 3.95Å; V273-F298 HydrophobicContact CG2-CE1 4.27Å; F275-F298 HydrophobicContact CB-CE2 4.18Å; F275-F298 HydrophobicContact CB-CZ 4.26Å; F275-F298 AromaticContact CD2-CE2 3.85Å; F275-F298 HydrophobicContact CD2-CE2 3.85Å; F275-F298 HydrophobicContact CD2-CZ 4.12Å; F275-F298 HydrophobicContact CE2-CE2 4.46Å; F275-F298 HydrophobicContact CG-CE2 4.01Å; F275-F298 HydrophobicContact CG-CZ 4.41Å; V294-F298 HydrophobicContact CG1-CD2 3.72Å; V294-F298 HydrophobicContact CG1-CE2 4.1Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.24Å; V294-F298 PolarHBondContact O-N 2.86Å
299	N	87.1	Confident	84.8	Confident	155 Å²	155	37.5 Å²	37.5	83%	0.829	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	46	-178.4	-169.9	65.2	0	0	0	112.9	G295	G295-N299 CarbonylContact O-C 3.54Å; G295-N299 WeakPolarHBondContact O-CA 3.25Å; G295-N299 PolarHBondContact O-N 2.93Å
300	T	86.7	Confident	84.3	Confident	17 Å²	17	34.7 Å²	34.7	10%	0.104	21%	0.205	C	C	.	.			trans	-122	146	-179.2	-59.4	0	0	0	0	109.7	Y263 G295 A304 L305 E338	Y263-T300 PolarHBondContact OH-OG1 2.81Å; G295-T300 CarbonylContact C-O 3.48Å; G295-T300 WeakPolarHBondContact CA-O 3.41Å; G295-T300 PolarHBondContact O-N 3.37Å; T300-A304 HydrophobicContact CG2-CB 4.05Å; T300-L305 HydrophobicContact CG2-CD2 3.62Å; T300-L305 HydrophobicContact CG2-CG 4.17Å; T300-E338 HydrophobicContact CG2-CG 3.72Å; T300-E338 WeakPolarHBondContact CG2-OE1 3.15Å; T300-E338 PolarHBondContact OG1-OE1 3.44Å
301	S	87.4	Confident	83.5	Confident	45 Å²	45	34.9 Å²	34.9	32%	0.315	21%	0.207	S	C	.	.			trans	-63.5	132	174.2	-177.4	0	0	0	0	110.8	S303 A304 E341	S301-S303 PolarHBondContact O-N 3.2Å; S301-S303 VanDerWaalsContact O-N 3.09Å; S301-S303 PolarHBondContact OG-N 3.01Å; S301-S303 PolarHBondContact OG-OG 3.44Å; S301-A304 WeakPolarHBondContact O-CB 3.16Å; S301-A304 PolarHBondContact O-N 2.85Å; S301-E341 WeakPolarHBondContact CB-OE1 3.26Å
302	P	86.7	Confident	82.3	Confident	57 Å²	57	40.5 Å²	40.5	37%	0.37	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.6	-26.9	173.8	-26.3	36.1	0	0	0	113.5	L291 A292 A304 L305	L291-P302 HydrophobicContact CB-CB 4.24Å; A292-P302 HydrophobicContact CB-CG 4.49Å; P302-A304 VanDerWaalsContact C-N 3.28Å; P302-A304 PolarHBondContact O-N 3.45Å; P302-L305 PolarHBondContact O-N 2.79Å
303	S	84.8	Confident	81.1	Confident	109 Å²	109	41.5 Å²	41.5	76%	0.762	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-72.4	-19	175.9	62.8	0	0	0	0	113.9	S301 L305	S301-S303 PolarHBondContact O-N 3.2Å; S301-S303 VanDerWaalsContact O-N 3.09Å; S301-S303 PolarHBondContact OG-N 3.01Å; S301-S303 PolarHBondContact OG-OG 3.44Å; S303-L305 VanDerWaalsContact C-N 3.3Å
304	A	85.2	Confident	80	Confident	6 Å²	6	47.8 Å²	47.8	5%	0.05	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-85.7	-4.4	174.6	0	0	0	0	0	111.9	T300 S301 P302 R339 E341	T300-A304 HydrophobicContact CG2-CB 4.05Å; S301-A304 WeakPolarHBondContact O-CB 3.16Å; S301-A304 PolarHBondContact O-N 2.85Å; P302-A304 VanDerWaalsContact C-N 3.28Å; P302-A304 PolarHBondContact O-N 3.45Å; A304-R339 WeakPolarHBondContact O-CB 3.45Å; A304-R339 PolarHBondContact O-N 3.12Å; A304-E341 HydrophobicContact CB-CG 4.06Å
305	L	86.8	Confident	79.1	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137	-175.5	-57.8	179.9	0	0	0	112	Y263 L291 V294 T300 P302 S303 I336 F337 E338	Y263-L305 HydrophobicContact CE2-CD2 3.88Å; L291-L305 HydrophobicContact CB-CD1 4.33Å; L291-L305 HydrophobicContact CD1-CB 4.25Å; L291-L305 HydrophobicContact CD2-CB 3.68Å; L291-L305 HydrophobicContact CD2-CD1 4.25Å; L291-L305 HydrophobicContact CG-CB 4.35Å; L291-L305 WeakPolarHBondContact O-CD1 3.29Å; V294-L305 HydrophobicContact CB-CD1 4.1Å; V294-L305 HydrophobicContact CG1-CD1 3.84Å; T300-L305 HydrophobicContact CG2-CD2 3.62Å; T300-L305 HydrophobicContact CG2-CG 4.17Å; P302-L305 PolarHBondContact O-N 2.79Å; S303-L305 VanDerWaalsContact C-N 3.3Å; L305-I336 HydrophobicContact CB-CG2 3.93Å; L305-I336 HydrophobicContact CD1-CG2 4.29Å; L305-I336 HydrophobicContact CD2-CG2 4.16Å; L305-I336 HydrophobicContact CG-CG2 4.36Å; L305-F337 WeakPolarHBondContact CA-O 3.23Å; L305-E338 HydrophobicContact CD2-CB 3.92Å; L305-E338 HydrophobicContact CD2-CG 4.36Å
306	I	84.3	Confident	78	Confident	53 Å²	53	52.8 Å²	52.8	27%	0.272	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.2	174.5	-59.5	173.7	0	0	0	108.8	V308 I336 F337	I306-V308 HydrophobicContact CG2-CG2 4.48Å; I306-I336 CarbonylContact O-C 3.6Å; I306-I336 VanDerWaalsContact O-CA 3.32Å; I306-I336 WeakPolarHBondContact O-CA 3.3Å; I306-F337 PolarHBondContact N-O 2.74Å; I306-F337 PolarHBondContact O-N 2.75Å
307	A	84.1	Confident	77.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.3	177.1	0	0	0	0	0	112.2	F287 L291 H319 I334 F335 I336	F287-A307 HydrophobicContact CD1-CB 3.96Å; F287-A307 HydrophobicContact CE1-CB 4.4Å; L291-A307 HydrophobicContact CD2-CB 4.05Å; A307-H319 HydrophobicContact CB-CB 3.98Å; A307-H319 WeakPolarHBondContact O-CB 3.41Å; A307-H319 PolarHBondContact O-CD2 2.87Å; A307-H319 PolarHBondContact O-N 2.96Å; A307-I334 HydrophobicContact CB-CG2 4.28Å; A307-F335 CarbonylContact C-O 3.54Å; A307-F335 WeakPolarHBondContact CA-O 3.33Å; A307-I336 HydrophobicContact CB-CG1 4.18Å
308	V	81.1	Confident	76.9	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122	179.1	-175	0	0	0	0	109.1	I306 V310 I315 A317 Y318 I334 F335 F337	I306-V308 HydrophobicContact CG2-CG2 4.48Å; V308-V310 HydrophobicContact CG1-CG2 4.31Å; V308-I315 HydrophobicContact CG1-CB 4.28Å; V308-I315 HydrophobicContact CG1-CD1 4.2Å; V308-I315 HydrophobicContact CG1-CG1 3.92Å; V308-I315 HydrophobicContact CG1-CG2 3.52Å; V308-A317 WeakPolarHBondContact CA-O 3.36Å; V308-Y318 HydrophobicContact CG1-CD1 4.33Å; V308-Y318 HydrophobicContact CG1-CE1 4.32Å; V308-Y318 HydrophobicContact CG2-CD1 3.99Å; V308-Y318 HydrophobicContact CG2-CE1 4.29Å; V308-I334 WeakPolarHBondContact O-CA 3.28Å; V308-F335 HydrophobicContact CB-CB 4.38Å; V308-F335 PolarHBondContact N-O 2.86Å; V308-F335 PolarHBondContact O-N 3.19Å; V308-F337 HydrophobicContact CB-CE2 4.31Å; V308-F337 HydrophobicContact CG2-CD2 4.13Å; V308-F337 HydrophobicContact CG2-CE2 3.92Å
309	G	76.6	Confident	76.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.3	175.2	0	0	0	0	0	110.5	V316 A317 H319	G309-V316 WeakPolarHBondContact O-CG2 3.43Å; G309-V316 PolarHBondContact O-N 3.29Å; G309-A317 PolarHBondContact N-O 3.43Å; G309-A317 PolarHBondContact O-N 3.21Å; G309-H319 WeakPolarHBondContact CA-NE2 3.42Å; G309-H319 PolarHBondContact N-NE2 3.25Å; G309-H319 VanDerWaalsContact N-NE2 3.19Å
310	V	71.7	Confident	75.7	Confident	18 Å²	18	49.9 Å²	49.9	11%	0.109	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	177.5	179	0	0	0	0	109.9	V308 R314 I315 T333 F335	V308-V310 HydrophobicContact CG1-CG2 4.31Å; V310-R314 CarbonylContact C-O 3.48Å; V310-R314 VanDerWaalsContact CA-O 3.25Å; V310-R314 WeakPolarHBondContact CA-O 2.87Å; V310-I315 HydrophobicContact CG2-CG1 4.25Å; V310-T333 PolarHBondContact N-O 2.98Å; V310-T333 PolarHBondContact O-N 2.9Å; V310-F335 HydrophobicContact CB-CD2 3.89Å; V310-F335 HydrophobicContact CB-CE2 3.63Å; V310-F335 HydrophobicContact CG1-CE2 4.14Å; V310-F335 HydrophobicContact CG2-CD2 3.43Å; V310-F335 VanDerWaalsContact CG2-CD2 3.43Å; V310-F335 HydrophobicContact CG2-CE2 3.54Å; V310-F335 HydrophobicContact CG2-CG 4.44Å
311	L	64.2	Low	74.9	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.6	173.8	-168.4	72	0	0	0	109.6	S313 R314 V316 F326 T331 A572 M587	L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 3.07Å; L311-R314 PolarHBondContact N-O 3.4Å; L311-R314 PolarHBondContact O-N 2.88Å; L311-V316 HydrophobicContact CB-CG1 4.06Å; L311-V316 HydrophobicContact CB-CG2 4.22Å; L311-F326 HydrophobicContact CD2-CZ 4.48Å; L311-T331 WeakPolarHBondContact CD1-OG1 3.39Å; L311-A572 HydrophobicContact CD2-CB 4.04Å; L311-M587 HydrophobicContact CB-CE 4.37Å; L311-M587 HydrophobicContact CD2-CE 3.34Å; L311-M587 HydrophobicContact CD2-SD 3.64Å; L311-M587 HydrophobicContact CG-CE 4.43Å
312	K	61.1	Low	74.1	Confident	140 Å²	140	54 Å²	54	61%	0.609	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	51.2	-179.7	-62.7	-179.7	177.9	-173.5	0	112	R314	K312-R314 PolarHBondContact O-N 3.35Å
313	S	61.9	Low	73.4	Confident	59 Å²	59	54 Å²	54	41%	0.413	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	22.6	179.9	-18.9	0	0	0	0	115.9	L311 D417 P418	L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 3.07Å; S313-D417 PolarHBondContact OG-OD1 2.96Å; S313-D417 VanDerWaalsContact OG-OD1 3.13Å; S313-P418 WeakPolarHBondContact OG-CD 3.44Å
314	R	59.3	Low	72.7	Confident	147 Å²	147	50.9 Å²	50.9	56%	0.555	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.1	174.6	-67.8	-174.9	177.7	-175.1	-2.3	111.3	V310 L311 K312 V316	V310-R314 CarbonylContact C-O 3.48Å; V310-R314 VanDerWaalsContact CA-O 3.25Å; V310-R314 WeakPolarHBondContact CA-O 2.87Å; L311-R314 PolarHBondContact N-O 3.4Å; L311-R314 PolarHBondContact O-N 2.88Å; K312-R314 PolarHBondContact O-N 3.35Å; R314-V316 PolarHBondContact O-N 2.72Å
315	I	67.5	Low	71.8	Confident	76 Å²	76	50.8 Å²	50.8	39%	0.39	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.5	166.6	-60.2	172.5	0	0	0	107.4	V308 V310 Y318	V308-I315 HydrophobicContact CG1-CB 4.28Å; V308-I315 HydrophobicContact CG1-CD1 4.2Å; V308-I315 HydrophobicContact CG1-CG1 3.92Å; V308-I315 HydrophobicContact CG1-CG2 3.52Å; V310-I315 HydrophobicContact CG2-CG1 4.25Å; I315-Y318 HydrophobicContact CD1-CE1 4.29Å; I315-Y318 WeakPolarHBondContact CD1-OH 3.49Å; I315-Y318 HydrophobicContact CG2-CD2 4.17Å; I315-Y318 HydrophobicContact CG2-CE1 4.12Å; I315-Y318 HydrophobicContact CG2-CE2 3.76Å
316	V	64.6	Low	70.5	Confident	31 Å²	31	51.2 Å²	51.2	19%	0.188	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-17.1	179.2	-65.1	0	0	0	0	112.2	G309 L311 R314 F326 M587	G309-V316 WeakPolarHBondContact O-CG2 3.43Å; G309-V316 PolarHBondContact O-N 3.29Å; L311-V316 HydrophobicContact CB-CG1 4.06Å; L311-V316 HydrophobicContact CB-CG2 4.22Å; R314-V316 PolarHBondContact O-N 2.72Å; V316-F326 HydrophobicContact CG2-CZ 4.28Å; V316-M587 HydrophobicContact CB-CE 4.31Å; V316-M587 HydrophobicContact CG1-CE 3.73Å; V316-M587 HydrophobicContact CG1-SD 4.22Å
317	A	71.1	Confident	69	Low	22 Å²	22	50.4 Å²	50.4	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	139.3	177.3	0	0	0	0	0	111.7	V308 G309 H319	V308-A317 WeakPolarHBondContact CA-O 3.36Å; G309-A317 PolarHBondContact N-O 3.43Å; G309-A317 PolarHBondContact O-N 3.21Å; A317-H319 WeakPolarHBondContact CB-CE1 3.49Å
318	Y	74.7	Confident	67.2	Low	73 Å²	73	51.8 Å²	51.8	29%	0.286	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.3	159.1	-65.3	-83	0	0	0	106.6	V308 I315 F352	V308-Y318 HydrophobicContact CG1-CD1 4.33Å; V308-Y318 HydrophobicContact CG1-CE1 4.32Å; V308-Y318 HydrophobicContact CG2-CD1 3.99Å; V308-Y318 HydrophobicContact CG2-CE1 4.29Å; I315-Y318 HydrophobicContact CD1-CE1 4.29Å; I315-Y318 WeakPolarHBondContact CD1-OH 3.49Å; I315-Y318 HydrophobicContact CG2-CD2 4.17Å; I315-Y318 HydrophobicContact CG2-CE1 4.12Å; I315-Y318 HydrophobicContact CG2-CE2 3.76Å; Y318-F352 AromaticContact CD1-CD1 3.45Å; Y318-F352 HydrophobicContact CD1-CD1 3.45Å; Y318-F352 VanDerWaalsContact CD1-CD1 3.45Å; Y318-F352 AromaticContact CD1-CE1 3.62Å; Y318-F352 HydrophobicContact CD1-CE1 3.62Å; Y318-F352 AromaticContact CE1-CD1 3.45Å; Y318-F352 HydrophobicContact CE1-CD1 3.45Å; Y318-F352 VanDerWaalsContact CE1-CD1 3.45Å; Y318-F352 HydrophobicContact CE1-CE1 4.11Å; Y318-F352 HydrophobicContact CE1-CG 4.4Å; Y318-F352 HydrophobicContact CG-CD1 4.13Å; Y318-F352 HydrophobicContact CG-CE1 4.18Å
319	H	75.5	Confident	65.6	Low	25 Å²	25	53.1 Å²	53.1	12%	0.116	28%	0.283	C	S	.	.			trans	-80.4	128.2	-169.2	-62.5	-55	0	0	0	111.4	F287 A307 G309 A317 D323	F287-H319 HydrophobicContact CB-CB 4.13Å; F287-H319 HydrophobicContact CD1-CB 3.74Å; F287-H319 AromaticContact CD1-CD2 3.67Å; F287-H319 AromaticContact CD1-CG 3.57Å; F287-H319 HydrophobicContact CD2-CB 3.64Å; F287-H319 AromaticContact CD2-CG 3.47Å; F287-H319 VanDerWaalsContact CD2-CG 3.47Å; F287-H319 AromaticContact CD2-ND1 3.39Å; F287-H319 WeakPolarHBondContact CD2-ND1 3.41Å; F287-H319 HydrophobicContact CE1-CB 4.08Å; F287-H319 AromaticContact CE1-CD2 3.12Å; F287-H319 WeakPolarHBondContact CE1-CD2 3.49Å; F287-H319 AromaticContact CE1-CE1 3.71Å; F287-H319 AromaticContact CE1-CG 3.37Å; F287-H319 AromaticContact CE1-ND1 3.76Å; F287-H319 AromaticContact CE1-NE2 3.36Å; F287-H319 WeakPolarHBondContact CE1-NE2 3.21Å; F287-H319 HydrophobicContact CE2-CB 3.98Å; F287-H319 AromaticContact CE2-CD2 3.76Å; F287-H319 AromaticContact CE2-CE1 3.08Å; F287-H319 WeakPolarHBondContact CE2-CE1 3.41Å; F287-H319 AromaticContact CE2-CG 3.26Å; F287-H319 AromaticContact CE2-ND1 2.82Å; F287-H319 WeakPolarHBondContact CE2-ND1 3.27Å; F287-H319 AromaticContact CE2-NE2 3.67Å; F287-H319 HydrophobicContact CG-CB 3.52Å; F287-H319 AromaticContact CG-CG 3.63Å; F287-H319 HydrophobicContact CZ-CB 4.22Å; F287-H319 AromaticContact CZ-CD2 3.2Å; F287-H319 WeakPolarHBondContact CZ-CD2 3.37Å; F287-H319 AromaticContact CZ-CE1 2.89Å; F287-H319 WeakPolarHBondContact CZ-CE1 3.24Å; F287-H319 AromaticContact CZ-CG 3.24Å; F287-H319 AromaticContact CZ-ND1 3.09Å; F287-H319 WeakPolarHBondContact CZ-ND1 3.44Å; F287-H319 AromaticContact CZ-NE2 2.99Å; F287-H319 WeakPolarHBondContact CZ-NE2 3.4Å; A307-H319 HydrophobicContact CB-CB 3.98Å; A307-H319 WeakPolarHBondContact O-CB 3.41Å; A307-H319 PolarHBondContact O-CD2 2.87Å; A307-H319 PolarHBondContact O-N 2.96Å; G309-H319 WeakPolarHBondContact CA-NE2 3.42Å; G309-H319 PolarHBondContact N-NE2 3.25Å; G309-H319 VanDerWaalsContact N-NE2 3.19Å; A317-H319 WeakPolarHBondContact CB-CE1 3.49Å; H319-D323 WeakPolarHBondContact CA-OD2 3.37Å
320	K	74.5	Confident	64.2	Low	143 Å²	143	61.4 Å²	61.4	62%	0.622	32%	0.319	S	S	*	.			trans	-105.8	159.4	178.9	-61.4	-178.8	-175.8	179	0	110.5	G322 D323	K320-G322 PolarHBondContact O-N 2.7Å; K320-D323 PolarHBondContact N-OD2 2.79Å; K320-D323 VanDerWaalsContact O-CB 3.28Å; K320-D323 WeakPolarHBondContact O-CB 3.36Å; K320-D323 PolarHBondContact O-N 3.35Å
321	P	70.4	Confident	63.2	Low	114 Å²	114	64 Å²	64	74%	0.74	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	132.3	166.5	-27.9	36.3	0	0	0	111.1	E288	E288-P321 VanDerWaalsContact OE1-C 3.27Å; E288-P321 WeakPolarHBondContact OE1-CA 3.2Å; E288-P321 VanDerWaalsContact OE1-CB 3.22Å; E288-P321 WeakPolarHBondContact OE1-CB 3.45Å
322	G	69.4	Low	63.2	Low	33 Å²	33	64.3 Å²	64.3	34%	0.34	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-16.9	-174.6	0	0	0	0	0	116.4	R286 E288 K320	R286-G322 PolarHBondContact NH1-O 2.7Å; E288-G322 PolarHBondContact OE1-N 2.82Å; K320-G322 PolarHBondContact O-N 2.7Å
323	D	72.3	Confident	63.7	Low	57 Å²	57	57.7 Å²	57.7	31%	0.305	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.1	-180	-76.5	-7.1	0	0	0	111.2	R286 F287 H319 K320	R286-D323 WeakPolarHBondContact CA-O 3.44Å; R286-D323 WeakPolarHBondContact CB-O 3.14Å; F287-D323 HydrophobicContact CD2-CB 3.63Å; F287-D323 WeakPolarHBondContact CD2-O 3.49Å; F287-D323 HydrophobicContact CE2-CB 4.26Å; F287-D323 PolarHBondContact N-O 3.37Å; H319-D323 WeakPolarHBondContact CA-OD2 3.37Å; K320-D323 PolarHBondContact N-OD2 2.79Å; K320-D323 VanDerWaalsContact O-CB 3.28Å; K320-D323 WeakPolarHBondContact O-CB 3.36Å; K320-D323 PolarHBondContact O-N 3.35Å
324	R	69.8	Low	64.6	Low	45 Å²	45	55 Å²	55	17%	0.17	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-67.3	133.2	173.9	177.8	175.1	168.5	-157.6	-15.2	110.3	N283 F287 F326 Y564	N283-R324 PolarHBondContact O-NE 3.35Å; F287-R324 WeakPolarHBondContact CD2-O 3.44Å; F287-R324 WeakPolarHBondContact CE2-O 3.49Å; R324-F326 PolarHBondContact O-N 3.27Å; R324-F326 VanDerWaalsContact O-N 3.15Å; R324-Y564 VanDerWaalsContact CZ-CZ 3.47Å; R324-Y564 VanDerWaalsContact NE-CE2 3.31Å; R324-Y564 PolarHBondContact NH2-OH 2.92Å
325	L	67.6	Low	65.7	Low	4 Å²	4	49.4 Å²	49.4	2%	0.021	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.1	118.9	177.6	-177.7	65.6	0	0	0	111.2	I258 F281 A285 F287 L290 T327 I334	I258-L325 HydrophobicContact CD1-CD1 3.82Å; I258-L325 HydrophobicContact CD1-CD2 3.49Å; I258-L325 VanDerWaalsContact CD1-CD2 3.49Å; I258-L325 HydrophobicContact CD1-CG 4.05Å; I258-L325 HydrophobicContact CG1-CD2 3.97Å; F281-L325 HydrophobicContact CB-CD2 3.6Å; F281-L325 HydrophobicContact CD1-CD2 4.03Å; F281-L325 HydrophobicContact CD2-CD2 3.95Å; F281-L325 HydrophobicContact CG-CD2 3.58Å; A285-L325 HydrophobicContact CB-CB 4.46Å; A285-L325 HydrophobicContact CB-CD2 4.2Å; A285-L325 WeakPolarHBondContact O-CB 3.36Å; A285-L325 PolarHBondContact O-N 2.72Å; F287-L325 HydrophobicContact CD1-CD1 3.83Å; F287-L325 HydrophobicContact CE1-CD1 3.57Å; F287-L325 VanDerWaalsContact CE2-CA 3.48Å; F287-L325 HydrophobicContact CG-CD1 4.44Å; F287-L325 HydrophobicContact CZ-CD1 3.95Å; L290-L325 HydrophobicContact CB-CD1 4.03Å; L290-L325 HydrophobicContact CD2-CD1 3.74Å; L325-T327 PolarHBondContact O-N 3.36Å; L325-I334 HydrophobicContact CD1-CD1 3.97Å
326	F	58.4	Low	66.6	Low	19 Å²	19	45.8 Å²	45.8	8%	0.083	25%	0.253	C	S	.	.			trans	-66.5	113.2	-179.9	177.4	-107.5	0	0	0	110.8	F287 L311 V316 R324 I570	F287-F326 HydrophobicContact CE2-CB 4.32Å; F287-F326 HydrophobicContact CZ-CB 3.72Å; L311-F326 HydrophobicContact CD2-CZ 4.48Å; V316-F326 HydrophobicContact CG2-CZ 4.28Å; R324-F326 PolarHBondContact O-N 3.27Å; R324-F326 VanDerWaalsContact O-N 3.15Å; F326-I570 HydrophobicContact CD2-CB 4.48Å; F326-I570 HydrophobicContact CD2-CD1 3.6Å; F326-I570 HydrophobicContact CD2-CG1 4.45Å; F326-I570 HydrophobicContact CE2-CB 3.91Å; F326-I570 HydrophobicContact CE2-CD1 3.43Å; F326-I570 VanDerWaalsContact CE2-CD1 3.43Å; F326-I570 HydrophobicContact CE2-CG1 4.19Å; F326-I570 HydrophobicContact CE2-CG2 4Å
327	T	52.9	Low	67.6	Low	36 Å²	36	48 Å²	48	22%	0.221	26%	0.26	C	S	.	.			trans	-118.7	12.5	170.4	62.8	0	0	0	0	112.1	H256 L325 S329	H256-T327 HydrophobicContact CB-CG2 3.53Å; H256-T327 PolarHBondContact CD2-OG1 3.19Å; H256-T327 VanDerWaalsContact CD2-OG1 3.23Å; H256-T327 PolarHBondContact NE2-OG1 2.84Å; L325-T327 PolarHBondContact O-N 3.36Å; T327-S329 PolarHBondContact O-N 2.71Å
328	G	45.5	Very low	68.3	Low	29 Å²	29	49.3 Å²	49.3	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	-61.5	0.7	-164.9	0	0	0	0	0	116.4
329	S	47.5	Very low	68.5	Low	39 Å²	39	49.9 Å²	49.9	27%	0.273	26%	0.264	S	S	.	.			trans	-159.8	149	161	-173.1	0	0	0	0	109.6	T327 T331 G332	T327-S329 PolarHBondContact O-N 2.71Å; S329-T331 WeakPolarHBondContact CB-OG1 3.13Å; S329-T331 PolarHBondContact O-N 3.01Å; S329-T331 PolarHBondContact OG-N 3.28Å; S329-T331 VanDerWaalsContact OG-N 3.11Å; S329-T331 PolarHBondContact OG-OG1 2.9Å; S329-G332 PolarHBondContact O-N 3.29Å; S329-G332 VanDerWaalsContact O-N 3.1Å
330	K	47.5	Very low	68.3	Low	174 Å²	174	54 Å²	54	76%	0.757	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-17	160.6	-69.8	-178.1	176	-178.2	0	112.7
331	T	51.4	Low	67.8	Low	74 Å²	74	52.8 Å²	52.8	45%	0.454	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.3	-177.6	64.6	0	0	0	0	114.6	L311 S329	L311-T331 WeakPolarHBondContact CD1-OG1 3.39Å; S329-T331 WeakPolarHBondContact CB-OG1 3.13Å; S329-T331 PolarHBondContact O-N 3.01Å; S329-T331 PolarHBondContact OG-N 3.28Å; S329-T331 VanDerWaalsContact OG-N 3.11Å; S329-T331 PolarHBondContact OG-OG1 2.9Å
332	G	63.5	Low	67.2	Low	10 Å²	10	52 Å²	52	10%	0.103	27%	0.273	C	S	.	.			trans	-71.2	136.8	177.7	0	0	0	0	0	112	S329	S329-G332 PolarHBondContact O-N 3.29Å; S329-G332 VanDerWaalsContact O-N 3.1Å
333	T	72.2	Confident	66.5	Low	2 Å²	2	58.1 Å²	58.1	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.8	173.6	-60.1	0	0	0	0	109.4	K260 Y262 V310 F335	K260-T333 HydrophobicContact CB-CG2 4.25Å; Y262-T333 HydrophobicContact CD2-CG2 3.31Å; Y262-T333 HydrophobicContact CE2-CG2 3.32Å; V310-T333 PolarHBondContact N-O 2.98Å; V310-T333 PolarHBondContact O-N 2.9Å; T333-F335 HydrophobicContact CG2-CD2 3.87Å; T333-F335 HydrophobicContact CG2-CE2 3.33Å; T333-F335 HydrophobicContact CG2-CZ 3.87Å
334	I	80.1	Confident	65.3	Low	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.9	173.7	-61.4	169.5	0	0	0	108.4	I258 K260 V261 Y262 F287 L290 A307 V308 L325 I336	I258-I334 HydrophobicContact CD1-CD1 4.29Å; I258-I334 HydrophobicContact CG2-CD1 4.05Å; K260-I334 PolarHBondContact O-N 2.79Å; V261-I334 CarbonylContact C-O 3.46Å; V261-I334 VanDerWaalsContact CA-O 3.3Å; V261-I334 WeakPolarHBondContact CA-O 3.43Å; V261-I334 HydrophobicContact CG2-CB 4.41Å; Y262-I334 PolarHBondContact N-O 2.78Å; F287-I334 HydrophobicContact CE1-CD1 4.03Å; F287-I334 HydrophobicContact CE1-CG2 4.49Å; L290-I334 HydrophobicContact CD2-CD1 3.92Å; L290-I334 HydrophobicContact CD2-CG2 4.06Å; A307-I334 HydrophobicContact CB-CG2 4.28Å; V308-I334 WeakPolarHBondContact O-CA 3.28Å; L325-I334 HydrophobicContact CD1-CD1 3.97Å; I334-I336 HydrophobicContact CG2-CG1 4.01Å
335	F	82.9	Confident	64.3	Low	30 Å²	30	66.5 Å²	66.5	13%	0.132	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.8	172.8	-67.2	-108.2	0	0	0	108	Y262 W264 A307 V308 V310 T333 F337	Y262-F335 HydrophobicContact CD2-CE1 4.49Å; Y262-F335 HydrophobicContact CD2-CZ 4.44Å; Y262-F335 CarbonylContact O-C 3.53Å; W264-F335 AromaticContact CE3-CD1 3.75Å; W264-F335 HydrophobicContact CE3-CD1 3.75Å; W264-F335 HydrophobicContact CE3-CE1 4.43Å; W264-F335 AromaticContact CH2-CD1 3.6Å; W264-F335 HydrophobicContact CH2-CD1 3.6Å; W264-F335 AromaticContact CH2-CE1 3.44Å; W264-F335 HydrophobicContact CH2-CE1 3.44Å; W264-F335 VanDerWaalsContact CH2-CE1 3.44Å; W264-F335 AromaticContact CZ3-CD1 3.07Å; W264-F335 HydrophobicContact CZ3-CD1 3.07Å; W264-F335 AromaticContact CZ3-CE1 3.36Å; W264-F335 HydrophobicContact CZ3-CE1 3.36Å; W264-F335 HydrophobicContact CZ3-CG 4.2Å; A307-F335 CarbonylContact C-O 3.54Å; A307-F335 WeakPolarHBondContact CA-O 3.33Å; V308-F335 HydrophobicContact CB-CB 4.38Å; V308-F335 PolarHBondContact N-O 2.86Å; V308-F335 PolarHBondContact O-N 3.19Å; V310-F335 HydrophobicContact CB-CD2 3.89Å; V310-F335 HydrophobicContact CB-CE2 3.63Å; V310-F335 HydrophobicContact CG1-CE2 4.14Å; V310-F335 HydrophobicContact CG2-CD2 3.43Å; V310-F335 VanDerWaalsContact CG2-CD2 3.43Å; V310-F335 HydrophobicContact CG2-CE2 3.54Å; V310-F335 HydrophobicContact CG2-CG 4.44Å; T333-F335 HydrophobicContact CG2-CD2 3.87Å; T333-F335 HydrophobicContact CG2-CE2 3.33Å; T333-F335 HydrophobicContact CG2-CZ 3.87Å; F335-F337 HydrophobicContact CB-CD2 4.41Å; F335-F337 HydrophobicContact CB-CE2 3.56Å; F335-F337 HydrophobicContact CB-CZ 3.88Å; F335-F337 HydrophobicContact CD1-CZ 4.27Å; F335-F337 HydrophobicContact CG-CZ 4.47Å
336	I	86.6	Confident	63.4	Low	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.8	177.5	-58.3	179.5	0	0	0	107.6	V261 Y262 Y263 W264 L290 L291 V294 L305 I306 A307 I334	V261-I336 HydrophobicContact CG1-CD1 3.43Å; V261-I336 VanDerWaalsContact CG1-CD1 3.43Å; V261-I336 HydrophobicContact CG1-CG1 3.87Å; Y262-I336 PolarHBondContact O-N 2.94Å; Y263-I336 CarbonylContact C-O 2.97Å; Y263-I336 WeakPolarHBondContact CA-O 3.23Å; Y263-I336 HydrophobicContact CD2-CG2 4.4Å; W264-I336 PolarHBondContact N-O 2.85Å; L290-I336 HydrophobicContact CD1-CD1 4.46Å; L290-I336 HydrophobicContact CD2-CD1 3.96Å; L290-I336 HydrophobicContact CG-CD1 3.95Å; L291-I336 HydrophobicContact CD2-CD1 4.17Å; L291-I336 HydrophobicContact CD2-CG1 4.48Å; L291-I336 HydrophobicContact CD2-CG2 3.97Å; V294-I336 HydrophobicContact CB-CD1 4.18Å; V294-I336 HydrophobicContact CG1-CD1 4.14Å; V294-I336 HydrophobicContact CG1-CG2 4.21Å; V294-I336 HydrophobicContact CG2-CD1 3.48Å; V294-I336 VanDerWaalsContact CG2-CD1 3.48Å; L305-I336 HydrophobicContact CB-CG2 3.93Å; L305-I336 HydrophobicContact CD1-CG2 4.29Å; L305-I336 HydrophobicContact CD2-CG2 4.16Å; L305-I336 HydrophobicContact CG-CG2 4.36Å; I306-I336 CarbonylContact O-C 3.6Å; I306-I336 VanDerWaalsContact O-CA 3.32Å; I306-I336 WeakPolarHBondContact O-CA 3.3Å; A307-I336 HydrophobicContact CB-CG1 4.18Å; I334-I336 HydrophobicContact CG2-CG1 4.01Å
337	F	85.7	Confident	63.1	Low	77 Å²	77	71.2 Å²	71.2	34%	0.338	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	178.3	-58.6	-88.8	0	0	0	109	W264 L305 I306 V308 F335	W264-F337 HydrophobicContact CB-CD1 3.47Å; W264-F337 VanDerWaalsContact CB-CD1 3.47Å; W264-F337 HydrophobicContact CB-CE1 3.94Å; W264-F337 HydrophobicContact CB-CG 4.22Å; W264-F337 HydrophobicContact CD2-CD1 4.26Å; W264-F337 AromaticContact CD2-CE1 3.77Å; W264-F337 HydrophobicContact CD2-CE1 3.77Å; W264-F337 HydrophobicContact CD2-CZ 4.47Å; W264-F337 HydrophobicContact CE3-CE1 4.19Å; W264-F337 HydrophobicContact CE3-CZ 4.49Å; W264-F337 AromaticContact CG-CD1 3.71Å; W264-F337 HydrophobicContact CG-CD1 3.71Å; W264-F337 AromaticContact CG-CE1 3.66Å; W264-F337 HydrophobicContact CG-CE1 3.66Å; L305-F337 WeakPolarHBondContact CA-O 3.23Å; I306-F337 PolarHBondContact N-O 2.74Å; I306-F337 PolarHBondContact O-N 2.75Å; V308-F337 HydrophobicContact CB-CE2 4.31Å; V308-F337 HydrophobicContact CG2-CD2 4.13Å; V308-F337 HydrophobicContact CG2-CE2 3.92Å; F335-F337 HydrophobicContact CB-CD2 4.41Å; F335-F337 HydrophobicContact CB-CE2 3.56Å; F335-F337 HydrophobicContact CB-CZ 3.88Å; F335-F337 HydrophobicContact CD1-CZ 4.27Å; F335-F337 HydrophobicContact CG-CZ 4.47Å
338	E	86	Confident	63.1	Low	50 Å²	50	72.3 Å²	72.3	23%	0.234	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.4	165.8	177.6	179.5	-146	0	0	109.3	Y263 W264 P265 A266 T300 L305	Y263-E338 HydrophobicContact CE2-CB 4.16Å; Y263-E338 PolarHBondContact OH-OE2 3.01Å; W264-E338 PolarHBondContact O-N 2.99Å; P265-E338 WeakPolarHBondContact CA-OE2 3.48Å; A266-E338 HydrophobicContact CB-CB 4.15Å; A266-E338 HydrophobicContact CB-CG 3.61Å; A266-E338 PolarHBondContact N-OE2 3.34Å; T300-E338 HydrophobicContact CG2-CG 3.72Å; T300-E338 WeakPolarHBondContact CG2-OE1 3.15Å; T300-E338 PolarHBondContact OG1-OE1 3.44Å; L305-E338 HydrophobicContact CD2-CB 3.92Å; L305-E338 HydrophobicContact CD2-CG 4.36Å
339	R	78.8	Confident	63.3	Low	85 Å²	85	74.1 Å²	74.1	32%	0.321	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-84.8	141.9	174	-172.1	-171.1	156	164.4	-6.4	108.5	A304 E341 S350	A304-R339 WeakPolarHBondContact O-CB 3.45Å; A304-R339 PolarHBondContact O-N 3.12Å; R339-E341 PolarHBondContact O-N 2.91Å; R339-S350 PolarHBondContact NH1-OG 3.42Å
340	L	70.3	Confident	63.5	Low	113 Å²	113	74.8 Å²	74.8	59%	0.592	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-59.1	127.9	165.4	-63.8	168.1	0	0	0	109.1	A266 I348	A266-L340 HydrophobicContact CB-CD2 3.74Å; A266-L340 HydrophobicContact CB-CG 4.3Å; L340-I348 HydrophobicContact CB-CD1 4.15Å; L340-I348 WeakPolarHBondContact O-CD1 3.26Å
341	E	65.1	Low	63.5	Low	116 Å²	116	69.2 Å²	69.2	54%	0.542	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-74	145.5	171.6	-65.2	-172.8	162.2	0	0	109.4	S301 A304 R339 D343	S301-E341 WeakPolarHBondContact CB-OE1 3.26Å; A304-E341 HydrophobicContact CB-CG 4.06Å; R339-E341 PolarHBondContact O-N 2.91Å; E341-D343 PolarHBondContact O-N 2.88Å
342	D	56.7	Low	63.4	Low	99 Å²	99	71.6 Å²	71.6	53%	0.529	40%	0.404	S	S	.	.			trans	-66.3	90.9	179.5	-73.6	-43.5	0	0	0	109.9	S344 I348	D342-S344 VanDerWaalsContact C-N 3.31Å; D342-I348 WeakPolarHBondContact OD1-CB 3.32Å; D342-I348 WeakPolarHBondContact OD1-CD1 3.17Å; D342-I348 WeakPolarHBondContact OD1-CG1 3.47Å; D342-I348 PolarHBondContact OD1-N 2.93Å
343	D	55.3	Low	62.5	Low	161 Å²	161	72.9 Å²	72.9	86%	0.861	41%	0.41	S	S	*	.			trans	-84.2	-2.5	173.8	-90.9	-18.4	0	0	0	113.4	E341	E341-D343 PolarHBondContact O-N 2.88Å
344	S	47.2	Very low	61.1	Low	92 Å²	92	77 Å²	77	64%	0.643	44%	0.435	S	S	*	.	S	Bend	trans	-162.2	153	-176.7	49.3	0	0	0	0	112.6	D342 G346	D342-S344 VanDerWaalsContact C-N 3.31Å; S344-G346 PolarHBondContact O-N 2.89Å
345	D	49.8	Very low	59.3	Low	185 Å²	185	82.6 Å²	82.6	99%	0.989	46%	0.461	S	S	*	.	S	Bend	trans	-51.1	5.5	-175.2	-80.9	-36.2	0	0	0	117.7	G347	D345-G347 PolarHBondContact O-N 3.21Å
346	G	47.7	Very low	57.1	Low	55 Å²	55	85.8 Å²	85.8	57%	0.567	48%	0.483	S	S	*	.	S	Bend	trans	-87.5	100.5	169.2	0	0	0	0	0	110.2	S344 I348	S344-G346 PolarHBondContact O-N 2.89Å; G346-I348 PolarHBondContact O-N 3.46Å
347	G	53.2	Low	54.6	Low	67 Å²	67	96.5 Å²	96.5	69%	0.691	52%	0.523	S	S	*	.			trans	-55	122.5	-176.8	0	0	0	0	0	112.9	D345 V349	D345-G347 PolarHBondContact O-N 3.21Å; G347-V349 PolarHBondContact O-N 3.46Å
348	I	51.5	Low	52	Low	60 Å²	60	98.1 Å²	98.1	31%	0.308	54%	0.539	S	S	.	.			trans	-68.5	121.1	174.1	-68.1	169.4	0	0	0	110.2	L340 D342 G346	L340-I348 HydrophobicContact CB-CD1 4.15Å; L340-I348 WeakPolarHBondContact O-CD1 3.26Å; D342-I348 WeakPolarHBondContact OD1-CB 3.32Å; D342-I348 WeakPolarHBondContact OD1-CD1 3.17Å; D342-I348 WeakPolarHBondContact OD1-CG1 3.47Å; D342-I348 PolarHBondContact OD1-N 2.93Å; G346-I348 PolarHBondContact O-N 3.46Å
349	V	51.2	Low	49.4	Very low	67 Å²	67	100.5 Å²	100.5	41%	0.406	56%	0.559	S	S	.	*			trans	-91.2	112.9	170.5	-175.9	0	0	0	0	109.2	G347 L351 V513	G347-V349 PolarHBondContact O-N 3.46Å; V349-L351 HydrophobicContact CG1-CD2 3.71Å; V349-L351 HydrophobicContact CG1-CG 4.27Å; V349-L351 PolarHBondContact O-N 3.48Å; V349-V513 HydrophobicContact CG1-CG1 4.45Å
350	S	50.4	Low	47	Very low	52 Å²	52	101.7 Å²	101.7	36%	0.364	57%	0.571	S	S	.	*			trans	-81.3	111.9	173.6	-63	0	0	0	0	110.4	R339	R339-S350 PolarHBondContact NH1-OG 3.42Å
351	L	47.6	Very low	45.2	Very low	57 Å²	57	100.3 Å²	100.3	30%	0.298	57%	0.569	S	S	.	*			trans	-98.9	120.6	178.8	-60.9	177.4	0	0	0	111	V349 V353 I488 V519	V349-L351 HydrophobicContact CG1-CD2 3.71Å; V349-L351 HydrophobicContact CG1-CG 4.27Å; V349-L351 PolarHBondContact O-N 3.48Å; L351-V353 PolarHBondContact O-N 3.01Å; L351-I488 HydrophobicContact CD1-CD1 4.46Å; L351-I488 HydrophobicContact CD1-CG2 4.43Å; L351-V519 HydrophobicContact CD1-CB 4Å; L351-V519 HydrophobicContact CD1-CG1 3.68Å; L351-V519 HydrophobicContact CD1-CG2 4.29Å; L351-V519 HydrophobicContact CD2-CB 3.71Å; L351-V519 HydrophobicContact CD2-CG1 4.3Å; L351-V519 HydrophobicContact CD2-CG2 3.4Å; L351-V519 VanDerWaalsContact CD2-CG2 3.4Å; L351-V519 HydrophobicContact CG-CB 4.34Å; L351-V519 HydrophobicContact CG-CG2 4.44Å
352	F	49.8	Very low	43.7	Very low	125 Å²	125	103.8 Å²	103.8	55%	0.548	58%	0.577	S	S	.	*			trans	-84.3	92.5	170.4	-68.2	-78.8	0	0	0	109.7	Y318 T354	Y318-F352 AromaticContact CD1-CD1 3.45Å; Y318-F352 HydrophobicContact CD1-CD1 3.45Å; Y318-F352 VanDerWaalsContact CD1-CD1 3.45Å; Y318-F352 AromaticContact CD1-CE1 3.62Å; Y318-F352 HydrophobicContact CD1-CE1 3.62Å; Y318-F352 AromaticContact CE1-CD1 3.45Å; Y318-F352 HydrophobicContact CE1-CD1 3.45Å; Y318-F352 VanDerWaalsContact CE1-CD1 3.45Å; Y318-F352 HydrophobicContact CE1-CE1 4.11Å; Y318-F352 HydrophobicContact CE1-CG 4.4Å; Y318-F352 HydrophobicContact CG-CD1 4.13Å; Y318-F352 HydrophobicContact CG-CE1 4.18Å; F352-T354 PolarHBondContact O-N 3.13Å
353	V	45.2	Very low	42.8	Very low	37 Å²	37	104.5 Å²	104.5	22%	0.224	59%	0.59	C	S	.	*			trans	-74	120.2	175.9	177.6	0	0	0	0	109.5	L351 M521 W523	L351-V353 PolarHBondContact O-N 3.01Å; V353-M521 HydrophobicContact CB-CB 4.21Å; V353-M521 HydrophobicContact CG1-CB 3.61Å; V353-M521 HydrophobicContact CG1-CE 4.35Å; V353-M521 HydrophobicContact CG2-CB 3.51Å; V353-M521 HydrophobicContact CG2-CG 4.41Å; V353-M521 HydrophobicContact CG2-SD 4.09Å; V353-W523 HydrophobicContact CG1-CZ3 4.21Å
354	T	42.9	Very low	42	Very low	87 Å²	87	103.1 Å²	103.1	53%	0.534	58%	0.578	S	S	.	*			trans	-93	127	165.4	30.4	0	0	0	0	109.3	F352 V356	F352-T354 PolarHBondContact O-N 3.13Å; T354-V356 PolarHBondContact O-N 2.99Å
355	Q	41.1	Very low	41.7	Very low	120 Å²	120	102.1 Å²	102.1	56%	0.561	57%	0.568	S	S	*	*			trans	-66.9	103.9	172.1	-174.1	175.5	13.6	0	0	109.4	W523	Q355-W523 HydrophobicContact CB-CH2 3.65Å; Q355-W523 HydrophobicContact CB-CZ2 4.31Å; Q355-W523 VanDerWaalsContact CD-CZ2 3.47Å; Q355-W523 HydrophobicContact CG-CH2 3.42Å; Q355-W523 VanDerWaalsContact CG-CH2 3.42Å; Q355-W523 HydrophobicContact CG-CZ2 3.6Å; Q355-W523 HydrophobicContact CG-CZ3 4.42Å
356	V	36.2	Very low	41.4	Very low	97 Å²	97	96.5 Å²	96.5	59%	0.588	54%	0.543	S	S	*	.			trans	-92.6	115.5	167	-175	0	0	0	0	107.4	T354 V358	T354-V356 PolarHBondContact O-N 2.99Å; V356-V358 PolarHBondContact O-N 2.68Å
357	R	35.7	Very low	41.3	Very low	225 Å²	225	97.3 Å²	97.3	85%	0.849	54%	0.54	S	S	*	.			trans	-63.2	104.7	164.4	-81	-172.9	179.6	-179.3	0.3	107.3	P359	R357-P359 WeakPolarHBondContact O-CD 3.3Å
358	V	31.2	Very low	40.8	Very low	110 Å²	110	97 Å²	97	67%	0.667	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.1	123.1	170.5	-176.7	0	0	0	0	107.3	V356 L360	V356-V358 PolarHBondContact O-N 2.68Å; V358-L360 PolarHBondContact O-N 2.92Å; V358-L360 VanDerWaalsContact O-N 3.14Å
359	P	30.6	Very low	40.3	Very low	101 Å²	101	95.5 Å²	95.5	66%	0.656	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-58.1	121.7	175.5	-19.1	29.7	0	0	0	109.2	R357	R357-P359 WeakPolarHBondContact O-CD 3.3Å
360	L	28.3	Very low	39.9	Very low	109 Å²	109	96.9 Å²	96.9	57%	0.571	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-55.9	137.2	176	-77.1	165.3	0	0	0	109.8	V358 R362 V365	V358-L360 PolarHBondContact O-N 2.92Å; V358-L360 VanDerWaalsContact O-N 3.14Å; L360-R362 PolarHBondContact O-N 2.94Å; L360-V365 HydrophobicContact CB-CG2 3.82Å; L360-V365 VanDerWaalsContact O-CG2 3.31Å; L360-V365 WeakPolarHBondContact O-CG2 3.35Å
361	P	32.4	Very low	39.1	Very low	84 Å²	84	97.7 Å²	97.7	55%	0.545	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-54.8	138.4	171.9	-22.8	31.5	0	0	0	110.7	S363 Q364	P361-S363 PolarHBondContact O-N 3.43Å; P361-Q364 PolarHBondContact O-N 3.17Å
362	R	34.9	Very low	39	Very low	190 Å²	190	96.4 Å²	96.4	72%	0.717	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	-31	-175.7	-83.1	-178	168	171.5	-5.3	115.2	L360 Q364 F380	L360-R362 PolarHBondContact O-N 2.94Å; R362-Q364 VanDerWaalsContact C-N 3.25Å; R362-Q364 PolarHBondContact O-N 2.87Å; R362-F380 PolarHBondContact NH2-O 3.22Å; R362-F380 VanDerWaalsContact NH2-O 3.1Å
363	S	37.6	Very low	38.7	Very low	114 Å²	114	96.4 Å²	96.4	80%	0.797	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.1	179.8	53.5	0	0	0	0	114.7	P361	P361-S363 PolarHBondContact O-N 3.43Å
364	Q	36.6	Very low	38.7	Very low	132 Å²	132	96.8 Å²	96.8	62%	0.617	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-2.3	179.7	-64.9	-171.1	1.5	0	0	113.5	P361 R362 S366	P361-Q364 PolarHBondContact O-N 3.17Å; R362-Q364 VanDerWaalsContact C-N 3.25Å; R362-Q364 PolarHBondContact O-N 2.87Å; Q364-S366 PolarHBondContact O-N 3.25Å
365	V	40.9	Very low	38.9	Very low	70 Å²	70	99.2 Å²	99.2	42%	0.424	54%	0.538	S	S	.	.	S	Bend	trans	-79.9	115.8	179.5	-173.1	0	0	0	0	108.5	L360 S367	L360-V365 HydrophobicContact CB-CG2 3.82Å; L360-V365 VanDerWaalsContact O-CG2 3.31Å; L360-V365 WeakPolarHBondContact O-CG2 3.35Å; V365-S367 PolarHBondContact O-N 3.26Å
366	S	44.6	Very low	39.1	Very low	68 Å²	68	96.4 Å²	96.4	48%	0.476	53%	0.527	S	S	.	.			trans	-49	131	166.7	166.1	0	0	0	0	109.8	Q364 L368	Q364-S366 PolarHBondContact O-N 3.25Å; S366-L368 WeakPolarHBondContact CB-O 3.45Å; S366-L368 PolarHBondContact O-N 2.89Å; S366-L368 WeakPolarHBondContact OG-CB 3.27Å; S366-L368 PolarHBondContact OG-N 2.88Å; S366-L368 PolarHBondContact OG-O 3.05Å
367	S	46.4	Very low	39.3	Very low	72 Å²	72	97.3 Å²	97.3	50%	0.503	53%	0.533	S	S	.	.	S	Bend	trans	-64.5	-8.1	171.7	58.3	0	0	0	0	112.7	V365 Q375 L376	V365-S367 PolarHBondContact O-N 3.26Å; S367-Q375 CarbonylContact O-C 3.54Å; S367-Q375 WeakPolarHBondContact O-CA 3.5Å; S367-L376 PolarHBondContact O-N 2.93Å
368	L	41.9	Very low	39.3	Very low	59 Å²	59	94 Å²	94	31%	0.309	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-105.5	130.8	175.9	-55.3	162.5	0	0	0	108	S366 A370 M373 C374 Q375	S366-L368 WeakPolarHBondContact CB-O 3.45Å; S366-L368 PolarHBondContact O-N 2.89Å; S366-L368 WeakPolarHBondContact OG-CB 3.27Å; S366-L368 PolarHBondContact OG-N 2.88Å; S366-L368 PolarHBondContact OG-O 3.05Å; L368-A370 PolarHBondContact O-N 3.17Å; L368-M373 HydrophobicContact CD1-CE 4.31Å; L368-M373 WeakPolarHBondContact CD2-O 3.29Å; L368-C374 WeakPolarHBondContact CA-O 3.21Å; L368-Q375 HydrophobicContact CD2-CB 4.03Å; L368-Q375 HydrophobicContact CD2-CG 4.34Å
369	C	41.8	Very low	39.4	Very low	30 Å²	30	92.4 Å²	92.4	20%	0.203	53%	0.533	C	S	.	.			trans	-55	122.4	167.2	-179.3	0	0	0	0	108.8	Y371 C372 M373 C374 F406	C369-Y371 PolarHBondContact O-N 3.25Å; C369-C372 WeakPolarHBondContact CB-SG 3.22Å; C369-C372 PolarHBondContact O-N 2.82Å; C369-M373 WeakPolarHBondContact O-CA 3.32Å; C369-M373 PolarHBondContact O-N 3.06Å; C369-C374 PolarHBondContact N-O 3.27Å; C369-F406 HydrophobicContact CB-CZ 4.35Å
370	A	41.2	Very low	39.4	Very low	96 Å²	96	92.6 Å²	92.6	79%	0.793	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.7	179.3	0	0	0	0	0	113.3	L368	L368-A370 PolarHBondContact O-N 3.17Å
371	Y	34.9	Very low	39.3	Very low	69 Å²	69	90.6 Å²	90.6	27%	0.271	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-51.8	-179	-178.2	-112.9	0	0	0	113.1	C369 M412 S414 I415	C369-Y371 PolarHBondContact O-N 3.25Å; Y371-M412 HydrophobicContact CE1-CE 4.02Å; Y371-M412 HydrophobicContact CE1-CG 4.2Å; Y371-M412 VanDerWaalsContact OH-CA 3.24Å; Y371-M412 WeakPolarHBondContact OH-CA 3.35Å; Y371-M412 WeakPolarHBondContact OH-CG 3.5Å; Y371-M412 PolarHBondContact OH-O 3.3Å; Y371-S414 WeakPolarHBondContact CE2-O 3.45Å; Y371-I415 HydrophobicContact CD2-CG1 4.42Å; Y371-I415 HydrophobicContact CE2-CB 4.47Å; Y371-I415 HydrophobicContact CE2-CD1 4.17Å; Y371-I415 HydrophobicContact CE2-CG1 3.32Å; Y371-I415 WeakPolarHBondContact OH-CD1 3.3Å; Y371-I415 WeakPolarHBondContact OH-CG1 3.4Å
372	C	44.7	Very low	39	Very low	29 Å²	29	92.7 Å²	92.7	20%	0.196	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	0.5	-177.1	65	0	0	0	0	114.5	C369 C374 C410	C369-C372 WeakPolarHBondContact CB-SG 3.22Å; C369-C372 PolarHBondContact O-N 2.82Å; C372-C374 PolarHBondContact O-N 2.9Å; C372-C374 VanDerWaalsContact SG-CB 3.6Å; C372-C410 WeakPolarHBondContact CB-SG 3.37Å; C372-C410 VanDerWaalsContact SG-SG 3.63Å
373	M	44	Very low	38.4	Very low	125 Å²	125	89.1 Å²	89.1	62%	0.616	52%	0.521	S	S	*	.			trans	55.4	9.6	-175.3	-59.2	-65.6	-76.8	0	0	114.7	L368 C369	L368-M373 HydrophobicContact CD1-CE 4.31Å; L368-M373 WeakPolarHBondContact CD2-O 3.29Å; C369-M373 WeakPolarHBondContact O-CA 3.32Å; C369-M373 PolarHBondContact O-N 3.06Å
374	C	44	Very low	37.8	Very low	45 Å²	45	88.2 Å²	88.2	30%	0.304	52%	0.52	S	S	.	.			trans	-71.7	139.4	176.2	-71.1	0	0	0	0	110.7	L368 C369 C372 L376	L368-C374 WeakPolarHBondContact CA-O 3.21Å; C369-C374 PolarHBondContact N-O 3.27Å; C372-C374 PolarHBondContact O-N 2.9Å; C372-C374 VanDerWaalsContact SG-CB 3.6Å; C374-L376 PolarHBondContact O-N 3.19Å
375	Q	47.6	Very low	37.2	Very low	138 Å²	138	91.1 Å²	91.1	65%	0.645	53%	0.527	S	S	*	.	B	Isolated β-bridge	trans	-69	123.8	176.4	-157.2	167.2	1.8	0	0	109	S367 L368 T377	S367-Q375 CarbonylContact O-C 3.54Å; S367-Q375 WeakPolarHBondContact O-CA 3.5Å; L368-Q375 HydrophobicContact CD2-CB 4.03Å; L368-Q375 HydrophobicContact CD2-CG 4.34Å; Q375-T377 WeakPolarHBondContact O-CG2 3.47Å; Q375-T377 PolarHBondContact O-N 2.94Å
376	L	44.7	Very low	36.3	Very low	62 Å²	62	96.5 Å²	96.5	33%	0.325	54%	0.544	S	S	.	.			trans	-62.5	95.2	175.2	-70.4	161.4	0	0	0	108.3	S367 C374 H378 F380 F406	S367-L376 PolarHBondContact O-N 2.93Å; C374-L376 PolarHBondContact O-N 3.19Å; L376-H378 PolarHBondContact O-N 3.14Å; L376-F380 HydrophobicContact CD2-CD2 3.88Å; L376-F380 HydrophobicContact CD2-CE2 3.67Å; L376-F406 HydrophobicContact CD2-CE2 4.25Å
377	T	40.8	Very low	35.4	Very low	115 Å²	115	96.6 Å²	96.6	71%	0.706	55%	0.545	S	S	*	.			trans	-78.6	-15.5	-169.5	47.4	0	0	0	0	114.6	Q375	Q375-T377 WeakPolarHBondContact O-CG2 3.47Å; Q375-T377 PolarHBondContact O-N 2.94Å
378	H	35.8	Very low	34.7	Very low	155 Å²	155	97.1 Å²	97.1	72%	0.718	55%	0.554	S	S	*	*	S	Bend	trans	-138	124.8	175.5	-69.5	78	0	0	0	109.5	L376 F380	L376-H378 PolarHBondContact O-N 3.14Å; H378-F380 PolarHBondContact O-N 3.2Å
379	G	32.7	Very low	33.9	Very low	77 Å²	77	101 Å²	101	79%	0.794	58%	0.575	S	S	*	*			trans	-53.9	110.4	-171.7	0	0	0	0	0	112.1	S381	G379-S381 PolarHBondContact O-N 2.83Å
380	F	30.8	Very low	33.3	Very low	106 Å²	106	103.5 Å²	103.5	47%	0.465	61%	0.605	S	S	.	*			trans	-61.8	112.5	163	-71.9	-88.1	0	0	0	107.8	R362 L376 H378	R362-F380 PolarHBondContact NH2-O 3.22Å; R362-F380 VanDerWaalsContact NH2-O 3.1Å; L376-F380 HydrophobicContact CD2-CD2 3.88Å; L376-F380 HydrophobicContact CD2-CE2 3.67Å; H378-F380 PolarHBondContact O-N 3.2Å
381	S	27.2	Very low	32.5	Very low	67 Å²	67	102.6 Å²	102.6	47%	0.469	60%	0.598	S	S	.	*			trans	-89.3	106.5	149.7	61.3	0	0	0	0	106.5	G379 Q383	G379-S381 PolarHBondContact O-N 2.83Å; S381-Q383 PolarHBondContact O-N 3.32Å
382	V	26.1	Very low	32.1	Very low	127 Å²	127	106.3 Å²	106.3	77%	0.77	62%	0.623	S	S	*	*			trans	-69.2	88.8	152.1	-177.6	0	0	0	0	104.7	A384	V382-A384 PolarHBondContact O-N 2.86Å
383	Q	22.3	Very low	31.2	Very low	116 Å²	116	114.8 Å²	114.8	54%	0.542	66%	0.657	S	S	.	*			trans	-75.5	101.2	163	-78.5	-175.2	-14.1	0	0	105.4	S381 Y385	S381-Q383 PolarHBondContact O-N 3.32Å; Q383-Y385 HydrophobicContact CB-CD2 4.37Å; Q383-Y385 HydrophobicContact CB-CE2 3.96Å; Q383-Y385 WeakPolarHBondContact O-CD2 3.32Å; Q383-Y385 PolarHBondContact O-N 2.75Å; Q383-Y385 PolarHBondContact OE1-OH 3.31Å; Q383-Y385 VanDerWaalsContact OE1-OH 3.11Å
384	A	25.1	Very low	30.2	Very low	94 Å²	94	116.6 Å²	116.6	78%	0.777	67%	0.665	S	S	*	*			trans	-63.7	105	162.7	0	0	0	0	0	106.7	V382 K386	V382-A384 PolarHBondContact O-N 2.86Å; A384-K386 PolarHBondContact O-N 2.81Å
385	Y	22.8	Very low	29.4	Very low	193 Å²	193	119.6 Å²	119.6	76%	0.757	68%	0.679	S	S	*	*			trans	-74.8	118.9	176.2	-71.3	-86.8	0	0	0	108.6	Q383 S387	Q383-Y385 HydrophobicContact CB-CD2 4.37Å; Q383-Y385 HydrophobicContact CB-CE2 3.96Å; Q383-Y385 WeakPolarHBondContact O-CD2 3.32Å; Q383-Y385 PolarHBondContact O-N 2.75Å; Q383-Y385 PolarHBondContact OE1-OH 3.31Å; Q383-Y385 VanDerWaalsContact OE1-OH 3.11Å; Y385-S387 PolarHBondContact O-N 2.86Å; Y385-S387 VanDerWaalsContact O-N 3.13Å
386	K	22.6	Very low	28.5	Very low	183 Å²	183	118.5 Å²	118.5	80%	0.796	68%	0.683	S	S	*	*			trans	-61	109.9	163.4	-99.6	179.9	171.1	179.1	0	107.6	A384 A388	A384-K386 PolarHBondContact O-N 2.81Å; K386-A388 PolarHBondContact O-N 3.25Å
387	S	25.4	Very low	27.5	Very low	71 Å²	71	122.6 Å²	122.6	50%	0.497	70%	0.704	S	S	.	*			trans	-63.3	107.8	166.8	166.3	0	0	0	0	108.4	Y385 Q495	Y385-S387 PolarHBondContact O-N 2.86Å; Y385-S387 VanDerWaalsContact O-N 3.13Å; S387-Q495 PolarHBondContact O-NE2 2.98Å
388	A	33	Very low	26.9	Very low	82 Å²	82	121.5 Å²	121.5	68%	0.678	70%	0.697	S	S	*	*	S	Bend	trans	-83	114.6	164.7	0	0	0	0	0	106.8	K386	K386-A388 PolarHBondContact O-N 3.25Å
389	N	24.5	Very low	26.4	Very low	142 Å²	142	118 Å²	118	76%	0.759	69%	0.689	S	S	*	*	S	Bend	trans	94.5	109.1	175.4	-44.4	-26.2	0	0	0	113.2	A391	N389-A391 PolarHBondContact O-N 2.9Å; N389-A391 VanDerWaalsContact O-N 3.1Å
390	G	29.4	Very low	26.2	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	69%	0.689	S	S	*	*			trans	-57.8	112.8	175.2	0	0	0	0	0	111.6
391	A	24.5	Very low	26.2	Very low	78 Å²	78	125.9 Å²	125.9	65%	0.645	71%	0.706	S	S	*	*			trans	-172.6	120.8	152	0	0	0	0	0	107.3	N389	N389-A391 PolarHBondContact O-N 2.9Å; N389-A391 VanDerWaalsContact O-N 3.1Å
392	D	25.4	Very low	26.4	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	71%	0.705	S	S	*	*	S	Bend	trans	63.2	132.3	159	-53.3	-33.1	0	0	0	121.2	M394	D392-M394 PolarHBondContact O-N 3.19Å
393	F	26.4	Very low	26.6	Very low	207 Å²	207	123.8 Å²	123.8	91%	0.908	69%	0.689	S	S	*	*			trans	-31.8	113.5	172.8	-67.6	-99.8	0	0	0	113.9
394	M	23.9	Very low	27	Very low	162 Å²	162	127.9 Å²	127.9	80%	0.798	70%	0.7	S	S	*	*			trans	-116.4	105.1	162.8	-83.9	-74.5	176.7	0	0	108.9	D392 I397	D392-M394 PolarHBondContact O-N 3.19Å; M394-I397 HydrophobicContact SD-CD1 4.3Å
395	D	25.8	Very low	27.2	Very low	109 Å²	109	126.6 Å²	126.6	58%	0.583	70%	0.696	S	S	*	*			trans	-54.2	147.2	162.3	-85.9	-34.2	0	0	0	109.9	I397	D395-I397 PolarHBondContact O-N 2.84Å
396	P	29.1	Very low	27.5	Very low	114 Å²	114	120.6 Å²	120.6	74%	0.74	67%	0.674	S	S	*	*			trans	-62.1	104.5	-178.2	23.1	-31	0	0	0	110.5	V398	P396-V398 VanDerWaalsContact C-N 3.34Å; P396-V398 PolarHBondContact O-N 3.11Å
397	I	23.5	Very low	28.1	Very low	149 Å²	149	118 Å²	118	76%	0.764	66%	0.664	S	S	*	*			trans	-66.6	95	170.3	-59.4	173.4	0	0	0	107.4	M394 D395	M394-I397 HydrophobicContact SD-CD1 4.3Å; D395-I397 PolarHBondContact O-N 2.84Å
398	V	28.8	Very low	28.5	Very low	91 Å²	91	123.5 Å²	123.5	55%	0.552	68%	0.682	S	S	*	*			trans	-73.4	121.4	166.1	-178.4	0	0	0	0	107.1	P396 E400 M403	P396-V398 VanDerWaalsContact C-N 3.34Å; P396-V398 PolarHBondContact O-N 3.11Å; V398-E400 PolarHBondContact O-N 3.06Å; V398-M403 HydrophobicContact CG1-CG 4.28Å
399	C	25.7	Very low	28.5	Very low	83 Å²	83	122.2 Å²	122.2	56%	0.561	67%	0.668	S	S	*	*			trans	-60.9	127	-174.6	-157.7	0	0	0	0	111.7	E401 S402	C399-E401 PolarHBondContact O-N 3.32Å; C399-E401 VanDerWaalsContact O-N 3.09Å; C399-S402 PolarHBondContact O-N 3.23Å
400	E	28.5	Very low	28.7	Very low	170 Å²	170	117.2 Å²	117.2	79%	0.794	64%	0.644	S	S	*	*	H	α-helix	trans	-50.2	-34	-174	-87.6	-173.5	138.7	0	0	114.7	V398 S402	V398-E400 PolarHBondContact O-N 3.06Å; E400-S402 VanDerWaalsContact C-N 3.29Å; E400-S402 PolarHBondContact O-N 2.74Å
401	E	30.6	Very low	28.8	Very low	177 Å²	177	120 Å²	120	83%	0.827	64%	0.639	S	S	*	*	H	α-helix	trans	-71.3	-23.4	-176.9	-69.3	-175.6	160.6	0	0	113.2	C399	C399-E401 PolarHBondContact O-N 3.32Å; C399-E401 VanDerWaalsContact O-N 3.09Å
402	S	32.1	Very low	29.2	Very low	64 Å²	64	122.4 Å²	122.4	45%	0.448	64%	0.639	S	S	.	*	H	α-helix	trans	-80.3	-22.5	-177.9	-56.3	0	0	0	0	113.3	C399 E400	C399-S402 PolarHBondContact O-N 3.23Å; E400-S402 VanDerWaalsContact C-N 3.29Å; E400-S402 PolarHBondContact O-N 2.74Å
403	M	28.3	Very low	29.3	Very low	87 Å²	87	124.3 Å²	124.3	43%	0.429	64%	0.643	S	S	.	*	H	α-helix	trans	-83.1	-36.4	-175.7	-79.4	-82.4	-67.9	0	0	113.2	V398 G405 F406 E407	V398-M403 HydrophobicContact CG1-CG 4.28Å; M403-G405 PolarHBondContact O-N 3.04Å; M403-G405 VanDerWaalsContact O-N 3.13Å; M403-F406 PolarHBondContact O-N 2.89Å; M403-E407 PolarHBondContact O-N 2.87Å
404	R	31	Very low	29.5	Very low	202 Å²	202	118.6 Å²	118.6	76%	0.762	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-29.9	-178.7	-79.2	-171.2	-174.4	174.3	5.2	113.5	F406	R404-F406 VanDerWaalsContact C-N 3.33Å
405	G	29.5	Very low	29.8	Very low	67 Å²	67	116 Å²	116	69%	0.691	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-17.7	177.3	0	0	0	0	0	114.6	M403	M403-G405 PolarHBondContact O-N 3.04Å; M403-G405 VanDerWaalsContact O-N 3.13Å
406	F	30	Very low	29.9	Very low	67 Å²	67	116.6 Å²	116.6	29%	0.294	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-31.2	-176.7	-136	-91.1	0	0	0	112.3	C369 L376 M403 R404 E408 S409	C369-F406 HydrophobicContact CB-CZ 4.35Å; L376-F406 HydrophobicContact CD2-CE2 4.25Å; M403-F406 PolarHBondContact O-N 2.89Å; R404-F406 VanDerWaalsContact C-N 3.33Å; F406-E408 VanDerWaalsContact C-N 3.31Å; F406-E408 PolarHBondContact O-N 3.04Å; F406-S409 PolarHBondContact O-N 2.7Å; F406-S409 PolarHBondContact O-OG 3.47Å
407	E	35.2	Very low	30.3	Very low	127 Å²	127	112.4 Å²	112.4	59%	0.593	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-24.5	-171.1	-72.5	176	170.8	0	0	114.5	M403	M403-E407 PolarHBondContact O-N 2.87Å
408	E	33.1	Very low	30.9	Very low	188 Å²	188	109 Å²	109	88%	0.879	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-8.4	179.9	-67.4	-174.4	166.9	0	0	114.4	F406	F406-E408 VanDerWaalsContact C-N 3.31Å; F406-E408 PolarHBondContact O-N 3.04Å
409	S	33.5	Very low	31.5	Very low	54 Å²	54	105.1 Å²	105.1	38%	0.378	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.6	-9.5	-167.1	68	0	0	0	0	116.9	F406	F406-S409 PolarHBondContact O-N 2.7Å; F406-S409 PolarHBondContact O-OG 3.47Å
410	C	29.4	Very low	32.2	Very low	38 Å²	38	104.4 Å²	104.4	26%	0.257	55%	0.545	S	S	.	.			trans	-96.7	98.7	-178.9	-90.8	0	0	0	0	111.6	C372 M412	C372-C410 WeakPolarHBondContact CB-SG 3.37Å; C372-C410 VanDerWaalsContact SG-SG 3.63Å; C410-M412 PolarHBondContact O-N 3Å
411	D	29.9	Very low	32.6	Very low	138 Å²	138	102 Å²	102	74%	0.738	53%	0.532	S	S	*	.			trans	-76.1	105.5	165.2	-160.3	-0.7	0	0	0	109.2	Q413	D411-Q413 VanDerWaalsContact C-N 3.32Å; D411-Q413 PolarHBondContact O-N 3.36Å
412	M	33.1	Very low	33.1	Very low	129 Å²	129	95 Å²	95	64%	0.635	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	8.6	-161	-90.1	-151.6	132.9	0	0	116.2	Y371 C410 S414	Y371-M412 HydrophobicContact CE1-CE 4.02Å; Y371-M412 HydrophobicContact CE1-CG 4.2Å; Y371-M412 VanDerWaalsContact OH-CA 3.24Å; Y371-M412 WeakPolarHBondContact OH-CA 3.35Å; Y371-M412 WeakPolarHBondContact OH-CG 3.5Å; Y371-M412 PolarHBondContact OH-O 3.3Å; C410-M412 PolarHBondContact O-N 3Å; M412-S414 PolarHBondContact O-N 2.97Å
413	Q	28.9	Very low	33.5	Very low	188 Å²	188	94.4 Å²	94.4	88%	0.879	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.5	-171.2	-73.1	-171.2	-3.6	0	0	116.2	D411	D411-Q413 VanDerWaalsContact C-N 3.32Å; D411-Q413 PolarHBondContact O-N 3.36Å
414	S	28.7	Very low	33.9	Very low	86 Å²	86	96.2 Å²	96.2	60%	0.601	50%	0.5	S	S	*	.			trans	-115.2	73.2	178.6	64.1	0	0	0	0	112.7	Y371 M412	Y371-S414 WeakPolarHBondContact CE2-O 3.45Å; M412-S414 PolarHBondContact O-N 2.97Å
415	I	30.5	Very low	34.3	Very low	108 Å²	108	89.2 Å²	89.2	55%	0.554	48%	0.479	S	S	*	.			trans	-109.2	122.3	164.8	-62.4	166	0	0	0	106.5	Y371	Y371-I415 HydrophobicContact CD2-CG1 4.42Å; Y371-I415 HydrophobicContact CE2-CB 4.47Å; Y371-I415 HydrophobicContact CE2-CD1 4.17Å; Y371-I415 HydrophobicContact CE2-CG1 3.32Å; Y371-I415 WeakPolarHBondContact OH-CD1 3.3Å; Y371-I415 WeakPolarHBondContact OH-CG1 3.4Å
416	I	29.3	Very low	34.5	Very low	121 Å²	121	87.4 Å²	87.4	62%	0.621	46%	0.457	S	S	*	.			trans	-88.8	116	165.1	-57	173	0	0	0	105.9	D420 F421	I416-D420 HydrophobicContact CG2-CB 4.33Å; I416-F421 HydrophobicContact CB-CE2 4.45Å; I416-F421 HydrophobicContact CG2-CD2 3.95Å; I416-F421 HydrophobicContact CG2-CE2 3.54Å; I416-F421 HydrophobicContact CG2-CZ 4.27Å
417	D	37.5	Very low	34.7	Very low	26 Å²	26	88.3 Å²	88.3	14%	0.139	47%	0.472	C	S	.	.			trans	-68.6	133	175.3	-157.2	-26.7	0	0	0	107.9	S313 T419 D420	S313-D417 PolarHBondContact OG-OD1 2.96Å; S313-D417 VanDerWaalsContact OG-OD1 3.13Å; D417-T419 WeakPolarHBondContact CB-OG1 3.25Å; D417-T419 PolarHBondContact O-N 3Å; D417-T419 VanDerWaalsContact O-N 3.11Å; D417-T419 PolarHBondContact OD1-N 3.34Å; D417-T419 PolarHBondContact OD1-OG1 3.11Å; D417-T419 PolarHBondContact OD2-OG1 3.05Å; D417-D420 HydrophobicContact CB-CB 4.39Å; D417-D420 WeakPolarHBondContact CB-OD2 3.42Å; D417-D420 PolarHBondContact N-OD2 3.24Å; D417-D420 WeakPolarHBondContact O-CA 3.3Å; D417-D420 WeakPolarHBondContact O-CB 3.3Å; D417-D420 PolarHBondContact O-N 3.4Å
418	P	35.8	Very low	34.3	Very low	77 Å²	77	87.5 Å²	87.5	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-54.3	-24.8	169.2	-26.3	36.1	0	0	0	113.2	S313 D420 F421	S313-P418 WeakPolarHBondContact OG-CD 3.44Å; P418-D420 VanDerWaalsContact C-N 3.29Å; P418-F421 PolarHBondContact O-N 3.27Å
419	T	41.4	Very low	34.1	Very low	11 Å²	11	85.5 Å²	85.5	7%	0.067	47%	0.467	C	S	.	.	H	α-helix	trans	-68.4	-27.2	169.7	56.4	0	0	0	0	112.9	D417 F421 L422 D423	D417-T419 WeakPolarHBondContact CB-OG1 3.25Å; D417-T419 PolarHBondContact O-N 3Å; D417-T419 VanDerWaalsContact O-N 3.11Å; D417-T419 PolarHBondContact OD1-N 3.34Å; D417-T419 PolarHBondContact OD1-OG1 3.11Å; D417-T419 PolarHBondContact OD2-OG1 3.05Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 PolarHBondContact O-N 2.94Å; T419-L422 PolarHBondContact O-N 2.95Å; T419-D423 PolarHBondContact O-N 3.25Å
420	D	39.3	Very low	33.7	Very low	68 Å²	68	89.7 Å²	89.7	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-32.3	174.7	-59.1	-25.1	0	0	0	110.9	I416 D417 P418 L422 D423 E424	I416-D420 HydrophobicContact CG2-CB 4.33Å; D417-D420 HydrophobicContact CB-CB 4.39Å; D417-D420 WeakPolarHBondContact CB-OD2 3.42Å; D417-D420 PolarHBondContact N-OD2 3.24Å; D417-D420 WeakPolarHBondContact O-CA 3.3Å; D417-D420 WeakPolarHBondContact O-CB 3.3Å; D417-D420 PolarHBondContact O-N 3.4Å; P418-D420 VanDerWaalsContact C-N 3.29Å; D420-L422 VanDerWaalsContact C-N 3.32Å; D420-L422 PolarHBondContact O-N 3.35Å; D420-D423 WeakPolarHBondContact O-CB 3.41Å; D420-D423 PolarHBondContact O-N 3.48Å; D420-E424 PolarHBondContact O-N 2.96Å
421	F	38.6	Very low	33.5	Very low	118 Å²	118	91.5 Å²	91.5	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-36.1	172.2	-80.4	-84	0	0	0	112	I416 P418 T419 E424 V425	I416-F421 HydrophobicContact CB-CE2 4.45Å; I416-F421 HydrophobicContact CG2-CD2 3.95Å; I416-F421 HydrophobicContact CG2-CE2 3.54Å; I416-F421 HydrophobicContact CG2-CZ 4.27Å; P418-F421 PolarHBondContact O-N 3.27Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 PolarHBondContact O-N 2.94Å; F421-E424 PolarHBondContact O-N 3.43Å; F421-V425 WeakPolarHBondContact O-CG2 3.36Å; F421-V425 PolarHBondContact O-N 3.48Å
422	L	39.4	Very low	33.1	Very low	31 Å²	31	90.4 Å²	90.4	16%	0.162	51%	0.508	C	S	.	.	H	α-helix	trans	-69.9	-34.9	174.2	-60.3	177.9	0	0	0	111.4	Y262 T419 D420 A426 V535	Y262-L422 HydrophobicContact CE1-CB 4.41Å; Y262-L422 HydrophobicContact CE1-CD1 4.15Å; T419-L422 PolarHBondContact O-N 2.95Å; D420-L422 VanDerWaalsContact C-N 3.32Å; D420-L422 PolarHBondContact O-N 3.35Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.11Å; L422-V535 HydrophobicContact CD2-CG2 3.84Å
423	D	40.8	Very low	32.5	Very low	52 Å²	52	91.5 Å²	91.5	28%	0.278	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-42.8	172.4	-72.1	-9.8	0	0	0	111.5	K260 T419 D420 V425 A426 S427	K260-D423 IonicContact NZ-OD1 2.58Å; K260-D423 PolarHBondContact NZ-OD1 2.58Å; K260-D423 IonicContact NZ-OD2 2.98Å; K260-D423 PolarHBondContact NZ-OD2 2.99Å; T419-D423 PolarHBondContact O-N 3.25Å; D420-D423 WeakPolarHBondContact O-CB 3.41Å; D420-D423 PolarHBondContact O-N 3.48Å; D423-V425 VanDerWaalsContact C-N 3.32Å; D423-V425 PolarHBondContact O-N 2.67Å; D423-A426 PolarHBondContact O-N 2.86Å; D423-S427 WeakPolarHBondContact O-CB 3.16Å; D423-S427 PolarHBondContact O-N 3.5Å; D423-S427 PolarHBondContact O-OG 3.02Å
424	E	36.8	Very low	32.2	Very low	125 Å²	125	90.1 Å²	90.1	58%	0.584	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-42	-178.8	-150.9	173.8	-153	0	0	110.5	D420 F421 S427 L428	D420-E424 PolarHBondContact O-N 2.96Å; F421-E424 PolarHBondContact O-N 3.43Å; E424-S427 PolarHBondContact O-N 2.99Å; E424-S427 PolarHBondContact O-OG 3.47Å; E424-L428 WeakPolarHBondContact O-CG 3.5Å; E424-L428 PolarHBondContact O-N 2.85Å
425	V	39.1	Very low	31.8	Very low	54 Å²	54	96.5 Å²	96.5	33%	0.327	52%	0.524	S	S	.	.	H	α-helix	trans	-67.4	-39.5	174.4	-179.9	0	0	0	0	112	F421 D423 S427	F421-V425 WeakPolarHBondContact O-CG2 3.36Å; F421-V425 PolarHBondContact O-N 3.48Å; D423-V425 VanDerWaalsContact C-N 3.32Å; D423-V425 PolarHBondContact O-N 2.67Å; V425-S427 VanDerWaalsContact C-N 3.31Å; V425-S427 PolarHBondContact O-N 3.03Å
426	A	34.3	Very low	31.5	Very low	29 Å²	29	99.3 Å²	99.3	24%	0.24	54%	0.535	C	S	.	.	H	α-helix	trans	-72.5	-20.8	178.2	0	0	0	0	0	113.8	L422 D423	L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.11Å; D423-A426 PolarHBondContact O-N 2.86Å
427	S	33.3	Very low	31.1	Very low	87 Å²	87	101.9 Å²	101.9	61%	0.608	55%	0.546	S	S	*	.	H	α-helix	trans	-89.7	-11.3	179.7	74	0	0	0	0	114.5	D423 E424 V425 D429	D423-S427 WeakPolarHBondContact O-CB 3.16Å; D423-S427 PolarHBondContact O-N 3.5Å; D423-S427 PolarHBondContact O-OG 3.02Å; E424-S427 PolarHBondContact O-N 2.99Å; E424-S427 PolarHBondContact O-OG 3.47Å; V425-S427 VanDerWaalsContact C-N 3.31Å; V425-S427 PolarHBondContact O-N 3.03Å; S427-D429 VanDerWaalsContact C-N 3.28Å; S427-D429 PolarHBondContact O-N 3.48Å
428	L	28.2	Very low	30.4	Very low	110 Å²	110	107.1 Å²	107.1	58%	0.576	57%	0.572	S	S	*	*			trans	-80.6	78.1	177.5	-74.2	163	0	0	0	109.7	E424 D430	E424-L428 WeakPolarHBondContact O-CG 3.5Å; E424-L428 PolarHBondContact O-N 2.85Å; L428-D430 PolarHBondContact O-N 2.85Å; L428-D430 VanDerWaalsContact O-N 3.15Å
429	D	28	Very low	30	Very low	146 Å²	146	108.4 Å²	108.4	78%	0.781	58%	0.583	S	S	*	*			trans	-71.3	2.4	175.7	-126.8	-3.3	0	0	0	113.4	S427	S427-D429 VanDerWaalsContact C-N 3.28Å; S427-D429 PolarHBondContact O-N 3.48Å
430	D	25.4	Very low	29.2	Very low	141 Å²	141	116.2 Å²	116.2	75%	0.754	62%	0.619	S	S	*	*	S	Bend	trans	-125.2	111	174.2	-81.8	-43.4	0	0	0	109.6	L428 V432	L428-D430 PolarHBondContact O-N 2.85Å; L428-D430 VanDerWaalsContact O-N 3.15Å; D430-V432 PolarHBondContact O-N 3.36Å
431	G	24.3	Very low	28.6	Very low	76 Å²	76	121.4 Å²	121.4	78%	0.784	64%	0.641	S	S	*	*			trans	-51.7	105.1	177	0	0	0	0	0	111.9	L433	G431-L433 PolarHBondContact O-N 3.09Å
432	V	21.8	Very low	28	Very low	115 Å²	115	124 Å²	124	70%	0.697	66%	0.655	S	S	*	*			trans	-71.5	91.5	161.5	179.5	0	0	0	0	106.6	D430 I434	D430-V432 PolarHBondContact O-N 3.36Å; V432-I434 VanDerWaalsContact C-N 3.35Å; V432-I434 PolarHBondContact O-N 2.82Å
433	L	21.1	Very low	27.3	Very low	153 Å²	153	129 Å²	129	80%	0.801	68%	0.682	S	S	*	*			trans	-54.7	102.1	158.6	-78.5	161.2	0	0	0	107.2	G431 R435	G431-L433 PolarHBondContact O-N 3.09Å; L433-R435 PolarHBondContact O-N 2.94Å
434	I	22.8	Very low	26.4	Very low	159 Å²	159	134.1 Å²	134.1	82%	0.815	70%	0.704	S	S	*	*			trans	-64	88.1	160.2	-58	178	0	0	0	105.2	V432 E436	V432-I434 VanDerWaalsContact C-N 3.35Å; V432-I434 PolarHBondContact O-N 2.82Å; I434-E436 PolarHBondContact O-N 2.93Å; I434-E436 VanDerWaalsContact O-N 3.08Å
435	R	21.1	Very low	25.8	Very low	220 Å²	220	134.3 Å²	134.3	83%	0.83	71%	0.709	S	S	*	*			trans	-59.6	111.5	168.6	-94	-179.8	172	165.8	-1.2	106.6	L433 M437	L433-R435 PolarHBondContact O-N 2.94Å; R435-M437 PolarHBondContact O-N 2.85Å
436	E	22.8	Very low	25.1	Very low	167 Å²	167	138.4 Å²	138.4	78%	0.78	73%	0.729	S	S	*	*			trans	-48.7	106.5	158.7	-71.3	179.8	146.2	0	0	107.6	I434 I438	I434-E436 PolarHBondContact O-N 2.93Å; I434-E436 VanDerWaalsContact O-N 3.08Å; E436-I438 HydrophobicContact CB-CG1 4.19Å; E436-I438 PolarHBondContact O-N 3.16Å
437	M	21.8	Very low	24.5	Very low	174 Å²	174	142.4 Å²	142.4	86%	0.857	76%	0.755	S	S	*	*			trans	-73.1	80.4	166.7	-72.8	-156.4	-48.8	0	0	107.6	R435 S439	R435-M437 PolarHBondContact O-N 2.85Å; M437-S439 VanDerWaalsContact C-N 3.35Å; M437-S439 PolarHBondContact O-N 2.82Å
438	I	22.5	Very low	24.9	Very low	136 Å²	136	143.3 Å²	143.3	70%	0.697	76%	0.758	S	S	*	*			trans	-75	96.8	156.4	-51.8	172.4	0	0	0	104.8	E436	E436-I438 HydrophobicContact CB-CG1 4.19Å; E436-I438 PolarHBondContact O-N 3.16Å
439	S	26.9	Very low	24.5	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	77%	0.771	S	S	*	*			trans	-123.1	106.7	162.1	65.8	0	0	0	0	108.6	M437	M437-S439 VanDerWaalsContact C-N 3.35Å; M437-S439 PolarHBondContact O-N 2.82Å
440	E	25.3	Very low	24.2	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	77%	0.769	S	S	*	*			trans	-47.6	143.7	172.4	-64.9	170.4	148.6	0	0	112.3
441	E	26.7	Very low	24	Very low	176 Å²	176	146 Å²	146	82%	0.822	76%	0.761	S	S	*	*			trans	10.1	121.4	143.2	-57.7	-178.1	158.9	0	0	117.1
442	Q	25.5	Very low	24	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	76%	0.761	S	S	*	*				174.4	122.8	108.8	-92.2	-177.1	16	0	0	112
443	N	24.3	Very low	24	Very low	138 Å²	138	150.9 Å²	150.9	74%	0.738	77%	0.765	S	S	*	*			trans	42.2	126.3	131.2	-77.3	-15.5	0	0	0	121.7
444	E	22.9	Very low	24.2	Very low	158 Å²	158	149.7 Å²	149.7	74%	0.738	77%	0.769	S	S	*	*			trans	92.3	114.4	132.8	-74.9	-173.6	-175.1	0	0	121.2
445	L	23.8	Very low	24.1	Very low	130 Å²	130	153.1 Å²	153.1	68%	0.681	77%	0.772	S	S	*	*			trans	73.9	120.9	130.5	-78.6	146.4	0	0	0	121.3
446	N	23.9	Very low	24.1	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	77%	0.769	S	S	*	*			trans	86	92.2	140.5	-66.8	-27.7	0	0	0	122.1
447	S	23	Very low	24.1	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	76%	0.762	S	S	*	*				69.1	165.3	123.4	-146.4	0	0	0	0	120.1
448	P	41.2	Very low	24.1	Very low	106 Å²	106	144.3 Å²	144.3	69%	0.688	76%	0.762	S	S	*	*				-124.7	167.1	-82.3	38.6	-22.7	0	0	0	112.5
449	R	20.5	Very low	24.2	Very low	224 Å²	224	147 Å²	147	85%	0.845	77%	0.768	S	S	*	*			trans	173.3	122.5	137.7	-98.4	169.1	179.6	176.1	1.7	113.9
450	I	22	Very low	23.9	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	77%	0.773	S	S	*	*			trans	71.2	126.8	135	-57.6	167.1	0	0	0	115.2
451	S	21	Very low	23.7	Very low	84 Å²	84	150.3 Å²	150.3	59%	0.587	77%	0.774	S	S	*	*			cis	-176.6	161.7	10.5	41.9	0	0	0	0	109.8
452	H	24.3	Very low	23.8	Very low	166 Å²	166	146.7 Å²	146.7	77%	0.769	77%	0.766	S	S	*	*			trans	79.5	83.7	167	-55.6	-68.1	0	0	0	117
453	T	21.7	Very low	23.7	Very low	128 Å²	128	149.4 Å²	149.4	79%	0.785	77%	0.771	S	S	*	*				64.8	91.9	92	60.8	0	0	0	0	116.4
454	S	23.9	Very low	23.5	Very low	128 Å²	128	149.6 Å²	149.6	90%	0.895	78%	0.777	S	S	*	*				-158.2	120	119.3	-101.8	0	0	0	0	109.5
455	R	22	Very low	23.5	Very low	232 Å²	232	147.8 Å²	147.8	88%	0.875	78%	0.776	S	S	*	*			trans	-71.4	132.5	-164.1	-81.4	172.3	169.8	164.2	-4	112.3	V457	R455-V457 PolarHBondContact O-N 2.79Å
456	S	20.5	Very low	23.4	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	78%	0.776	S	S	*	*			trans	-52.4	119.8	144.7	49	0	0	0	0	109.6
457	V	23.6	Very low	23.4	Very low	103 Å²	103	144.1 Å²	144.1	62%	0.624	78%	0.783	S	S	*	*			trans	-107	100.5	160.5	-175.9	0	0	0	0	106.4	R455 F459	R455-V457 PolarHBondContact O-N 2.79Å; V457-F459 HydrophobicContact CG1-CD2 3.56Å; V457-F459 HydrophobicContact CG1-CE2 3.42Å; V457-F459 VanDerWaalsContact CG1-CE2 3.42Å; V457-F459 HydrophobicContact CG1-CZ 4.35Å; V457-F459 PolarHBondContact O-N 3.2Å
458	L	20.7	Very low	23.4	Very low	164 Å²	164	143 Å²	143	86%	0.859	78%	0.781	S	S	*	*			trans	-57.9	111.7	162.6	-72.8	153.5	0	0	0	108.3
459	F	24.6	Very low	22.6	Very low	191 Å²	191	141.5 Å²	141.5	84%	0.838	78%	0.784	S	S	*	*			trans	-108.9	121.6	160.5	-91.5	-75.1	0	0	0	110	V457	V457-F459 HydrophobicContact CG1-CD2 3.56Å; V457-F459 HydrophobicContact CG1-CE2 3.42Å; V457-F459 VanDerWaalsContact CG1-CE2 3.42Å; V457-F459 HydrophobicContact CG1-CZ 4.35Å; V457-F459 PolarHBondContact O-N 3.2Å
460	N	21.7	Very low	22.7	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	79%	0.785	S	S	*	*			trans	-59.2	152.3	173.2	-78.7	-45	0	0	0	112.8
461	K	20	Very low	22.8	Very low	196 Å²	196	140.8 Å²	140.8	85%	0.852	79%	0.791	S	S	*	*			trans	-17.9	162.4	151.8	-69.6	178.5	174.5	-179.3	0	116.9
462	P	29.4	Very low	23.1	Very low	100 Å²	100	141.5 Å²	141.5	65%	0.649	79%	0.788	S	S	*	*			cis	-134.8	153.6	-19.8	34.4	-16.7	0	0	0	113.3
463	Y	23	Very low	23.2	Very low	230 Å²	230	138.2 Å²	138.2	90%	0.902	78%	0.776	S	S	*	*			trans	-116.3	111.2	155	-81.3	-83.1	0	0	0	109.2	T465	Y463-T465 PolarHBondContact O-N 2.93Å
464	V	20	Very low	23.6	Very low	142 Å²	142	138.4 Å²	138.4	86%	0.861	77%	0.766	S	S	*	*			trans	-68.2	109.4	168.2	174.9	0	0	0	0	106.9
465	T	23.1	Very low	23.7	Very low	119 Å²	119	142.8 Å²	142.8	73%	0.73	76%	0.763	S	S	*	*			trans	-103.6	110.9	173	48	0	0	0	0	109.2	Y463	Y463-T465 PolarHBondContact O-N 2.93Å
466	G	21.5	Very low	24	Very low	65 Å²	65	138.5 Å²	138.5	67%	0.67	76%	0.757	S	S	*	*			trans	-67.6	127.5	162	0	0	0	0	0	109.6	A468	G466-A468 PolarHBondContact O-N 3.31Å
467	S	23.4	Very low	24.5	Very low	129 Å²	129	135.4 Å²	135.4	90%	0.902	74%	0.736	S	S	*	*	S	Bend	trans	31.5	75.3	156.6	60.2	0	0	0	0	117
468	A	23.9	Very low	24.9	Very low	89 Å²	89	139.8 Å²	139.8	74%	0.736	75%	0.75	S	S	*	*	S	Bend	trans	-152.3	109.9	145.1	0	0	0	0	0	105.8	G466	G466-A468 PolarHBondContact O-N 3.31Å
469	G	24.3	Very low	25.4	Very low	73 Å²	73	138.7 Å²	138.7	75%	0.753	74%	0.74	S	S	*	*			trans	29.1	119.7	172.6	0	0	0	0	0	119.3	L471	G469-L471 PolarHBondContact O-N 3.47Å
470	E	22.1	Very low	25.7	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	74%	0.739	S	S	*	*			trans	-44.9	125	166.9	-77.9	-178.3	139.9	0	0	112	I472	E470-I472 PolarHBondContact O-N 2.86Å
471	L	23.9	Very low	26.3	Very low	166 Å²	166	139 Å²	139	87%	0.869	75%	0.745	S	S	*	*			trans	-74.1	103.3	163.5	-87.9	158	0	0	0	107.6	G469 D473	G469-L471 PolarHBondContact O-N 3.47Å; L471-D473 PolarHBondContact O-N 3.27Å
472	I	26.6	Very low	26.9	Very low	100 Å²	100	138.2 Å²	138.2	51%	0.513	74%	0.742	S	S	.	*			trans	-67.4	118.2	173.4	-60.4	170.6	0	0	0	108.6	E470 F474	E470-I472 PolarHBondContact O-N 2.86Å; I472-F474 HydrophobicContact CB-CD2 4.29Å; I472-F474 HydrophobicContact CB-CE1 4.34Å; I472-F474 HydrophobicContact CB-CE2 3.73Å; I472-F474 HydrophobicContact CB-CZ 3.76Å; I472-F474 HydrophobicContact CD1-CZ 4.2Å; I472-F474 HydrophobicContact CG2-CD1 3.91Å; I472-F474 HydrophobicContact CG2-CD2 4.09Å; I472-F474 HydrophobicContact CG2-CE1 3.63Å; I472-F474 HydrophobicContact CG2-CE2 3.82Å; I472-F474 HydrophobicContact CG2-CG 4.13Å; I472-F474 HydrophobicContact CG2-CZ 3.58Å; I472-F474 WeakPolarHBondContact O-CD2 3.39Å; I472-F474 PolarHBondContact O-N 3.42Å
473	D	27.2	Very low	27	Very low	97 Å²	97	138 Å²	138	52%	0.519	74%	0.742	S	S	.	*			trans	-80.7	88.8	173.4	-174.7	2.4	0	0	0	109.8	L471 R475 N476	L471-D473 PolarHBondContact O-N 3.27Å; D473-R475 PolarHBondContact O-N 2.94Å; D473-R475 VanDerWaalsContact O-N 3.07Å; D473-R475 WeakPolarHBondContact OD1-CB 3.26Å; D473-R475 PolarHBondContact OD1-N 3Å; D473-N476 PolarHBondContact O-N 3.39Å
474	F	29.8	Very low	27.7	Very low	132 Å²	132	132.5 Å²	132.5	58%	0.579	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	2.6	-178.6	-66.2	-80	0	0	0	114.7	I472 N476	I472-F474 HydrophobicContact CB-CD2 4.29Å; I472-F474 HydrophobicContact CB-CE1 4.34Å; I472-F474 HydrophobicContact CB-CE2 3.73Å; I472-F474 HydrophobicContact CB-CZ 3.76Å; I472-F474 HydrophobicContact CD1-CZ 4.2Å; I472-F474 HydrophobicContact CG2-CD1 3.91Å; I472-F474 HydrophobicContact CG2-CD2 4.09Å; I472-F474 HydrophobicContact CG2-CE1 3.63Å; I472-F474 HydrophobicContact CG2-CE2 3.82Å; I472-F474 HydrophobicContact CG2-CG 4.13Å; I472-F474 HydrophobicContact CG2-CZ 3.58Å; I472-F474 WeakPolarHBondContact O-CD2 3.39Å; I472-F474 PolarHBondContact O-N 3.42Å; F474-N476 VanDerWaalsContact C-N 3.31Å
475	R	26.9	Very low	28.6	Very low	220 Å²	220	130.2 Å²	130.2	83%	0.83	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-23.6	174.8	-61.2	-177.2	-159.4	167.5	7.6	112.8	D473	D473-R475 PolarHBondContact O-N 2.94Å; D473-R475 VanDerWaalsContact O-N 3.07Å; D473-R475 WeakPolarHBondContact OD1-CB 3.26Å; D473-R475 PolarHBondContact OD1-N 3Å
476	N	28.5	Very low	29.6	Very low	141 Å²	141	130 Å²	130	75%	0.754	71%	0.713	S	S	*	*	S	Bend	trans	-124.2	8.6	-171.7	-77.8	-18.7	0	0	0	114.2	D473 F474 E478	D473-N476 PolarHBondContact O-N 3.39Å; F474-N476 VanDerWaalsContact C-N 3.31Å; N476-E478 PolarHBondContact O-N 3.25Å
477	S	29.9	Very low	30.7	Very low	45 Å²	45	128.8 Å²	128.8	32%	0.315	69%	0.689	S	S	.	*			trans	-86	100	174.1	61.5	0	0	0	0	109.6	Q479	S477-Q479 PolarHBondContact O-N 3.46Å
478	E	32.5	Very low	31.7	Very low	195 Å²	195	124.5 Å²	124.5	91%	0.911	66%	0.655	S	S	*	*			trans	-60.6	27.8	155.3	-66	-178.8	153.4	0	0	112.2	N476 E480	N476-E478 PolarHBondContact O-N 3.25Å; E478-E480 PolarHBondContact O-N 3.16Å; E478-E480 VanDerWaalsContact O-N 3.1Å
479	Q	30.5	Very low	32.8	Very low	141 Å²	141	121 Å²	121	66%	0.659	62%	0.624	S	S	*	*			trans	-83.1	92.7	176.5	-83.3	-177.9	-30.5	0	0	108.9	S477 N481	S477-Q479 PolarHBondContact O-N 3.46Å; Q479-N481 PolarHBondContact O-N 3.02Å
480	E	31.8	Very low	34	Very low	174 Å²	174	119.3 Å²	119.3	81%	0.813	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	8.7	105.4	140	-67.2	-180	154.5	0	0	114.2	E478 K482	E478-E480 PolarHBondContact O-N 3.16Å; E478-E480 VanDerWaalsContact O-N 3.1Å; E480-K482 PolarHBondContact O-N 3.35Å
481	N	33.1	Very low	35.2	Very low	177 Å²	177	112.9 Å²	112.9	95%	0.947	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	29	47.4	140.2	-90.7	-3.6	0	0	0	117.5	Q479 S483	Q479-N481 PolarHBondContact O-N 3.02Å; N481-S483 PolarHBondContact O-N 3.06Å
482	K	32.9	Very low	36.1	Very low	180 Å²	180	112.7 Å²	112.7	78%	0.783	56%	0.562	S	S	*	*			trans	-82.9	118.2	166.2	-74.4	-169.1	177.9	-174.1	0	107.6	E480	E480-K482 PolarHBondContact O-N 3.35Å
483	S	33	Very low	36.7	Very low	95 Å²	95	110.3 Å²	110.3	66%	0.664	56%	0.555	S	S	*	*			trans	-33	151.7	178.5	20.2	0	0	0	0	114.7	N481 C485	N481-S483 PolarHBondContact O-N 3.06Å; S483-C485 PolarHBondContact O-N 3.36Å
484	P	35.8	Very low	37.3	Very low	114 Å²	114	111.3 Å²	111.3	74%	0.74	58%	0.576	S	S	*	*			trans	-54.1	114.3	-178.1	20.4	-31	0	0	0	110.9	F486	P484-F486 PolarHBondContact O-N 3.01Å
485	C	41	Very low	37.7	Very low	94 Å²	94	110.7 Å²	110.7	64%	0.635	58%	0.575	S	S	*	*			trans	-72.1	90.6	177.2	-67.4	0	0	0	0	110.1	S483 R524	S483-C485 PolarHBondContact O-N 3.36Å; C485-R524 PolarHBondContact O-N 3.29Å
486	F	43.5	Very low	37.7	Very low	114 Å²	114	103.1 Å²	103.1	50%	0.5	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.1	152.1	150.7	68.4	-88	0	0	0	109.4	P484 I488 M521 C522 W523	P484-F486 PolarHBondContact O-N 3.01Å; F486-I488 HydrophobicContact CD2-CG1 4.36Å; F486-I488 HydrophobicContact CE2-CD1 4.39Å; F486-I488 HydrophobicContact CE2-CG1 4.38Å; F486-M521 HydrophobicContact CB-CG 4.14Å; F486-M521 HydrophobicContact CD2-CG 3.85Å; F486-M521 HydrophobicContact CD2-SD 3.89Å; F486-M521 HydrophobicContact CE2-SD 4.39Å; F486-M521 HydrophobicContact CG-CG 4.32Å; F486-M521 HydrophobicContact CG-SD 4.3Å; F486-C522 CarbonylContact C-O 3.53Å; F486-C522 WeakPolarHBondContact CA-O 3.26Å; F486-W523 HydrophobicContact CB-CB 4.03Å
487	Y	44.4	Very low	37.7	Very low	41 Å²	41	103 Å²	103	16%	0.161	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	148.3	170.2	59	-79.1	0	0	0	110.3	M489 E499 Q501 M521 C522	Y487-M489 HydrophobicContact CD2-CG 3.68Å; Y487-M489 HydrophobicContact CD2-SD 4.12Å; Y487-M489 HydrophobicContact CE2-CE 4.31Å; Y487-M489 HydrophobicContact CE2-CG 3.81Å; Y487-M489 HydrophobicContact CE2-SD 3.59Å; Y487-M489 VanDerWaalsContact CE2-SD 3.59Å; Y487-E499 PolarHBondContact OH-OE1 3.36Å; Y487-Q501 HydrophobicContact CD2-CG 4.49Å; Y487-Q501 HydrophobicContact CG-CG 4.32Å; Y487-M521 WeakPolarHBondContact O-CA 3.19Å; Y487-C522 HydrophobicContact CD1-CB 3.88Å; Y487-C522 WeakPolarHBondContact CD1-O 3.36Å; Y487-C522 HydrophobicContact CD2-CB 4.15Å; Y487-C522 HydrophobicContact CE1-CB 3.44Å; Y487-C522 VanDerWaalsContact CE1-CB 3.44Å; Y487-C522 HydrophobicContact CE2-CB 3.77Å; Y487-C522 HydrophobicContact CG-CB 4.22Å; Y487-C522 VanDerWaalsContact CZ-CB 3.41Å; Y487-C522 PolarHBondContact N-O 3.46Å; Y487-C522 PolarHBondContact O-N 3.32Å
488	I	43.2	Very low	37.5	Very low	38 Å²	38	110.2 Å²	110.2	20%	0.195	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	131.1	-178.4	-62	-176.5	0	0	0	107.8	L351 F486 I502 V519 M521	L351-I488 HydrophobicContact CD1-CD1 4.46Å; L351-I488 HydrophobicContact CD1-CG2 4.43Å; F486-I488 HydrophobicContact CD2-CG1 4.36Å; F486-I488 HydrophobicContact CE2-CD1 4.39Å; F486-I488 HydrophobicContact CE2-CG1 4.38Å; I488-I502 HydrophobicContact CB-CD1 4Å; I488-I502 HydrophobicContact CG2-CD1 3.8Å; I488-V519 HydrophobicContact CB-CG1 4.49Å; I488-V519 HydrophobicContact CG2-CG1 3.11Å; I488-M521 HydrophobicContact CG1-CG 4.49Å
489	M	48.4	Very low	37.5	Very low	17 Å²	17	106.7 Å²	106.7	8%	0.084	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	143.4	177.4	-61	-171.5	-57.7	0	0	112.3	Y487 I497 E499 V520	Y487-M489 HydrophobicContact CD2-CG 3.68Å; Y487-M489 HydrophobicContact CD2-SD 4.12Å; Y487-M489 HydrophobicContact CE2-CE 4.31Å; Y487-M489 HydrophobicContact CE2-CG 3.81Å; Y487-M489 HydrophobicContact CE2-SD 3.59Å; Y487-M489 VanDerWaalsContact CE2-SD 3.59Å; M489-I497 HydrophobicContact CE-CG2 3.98Å; M489-I497 HydrophobicContact SD-CG2 4.04Å; M489-E499 HydrophobicContact SD-CB 4.12Å; M489-E499 HydrophobicContact SD-CG 3.74Å; M489-V520 HydrophobicContact CE-CB 4.34Å; M489-V520 HydrophobicContact CE-CG1 4.33Å; M489-V520 PolarHBondContact N-O 2.82Å; M489-V520 PolarHBondContact O-N 3.29Å
490	F	50.1	Low	37.7	Very low	36 Å²	36	105.5 Å²	105.5	16%	0.158	55%	0.553	C	S	.	*			trans	-98.5	115	165.7	-59.3	-76.8	0	0	0	110.2	K492 I502 L510 V513 V519	F490-K492 PolarHBondContact O-N 2.93Å; F490-I502 HydrophobicContact CD2-CD1 4.35Å; F490-I502 HydrophobicContact CE2-CD1 3.45Å; F490-I502 VanDerWaalsContact CE2-CD1 3.45Å; F490-I502 HydrophobicContact CE2-CG1 4.27Å; F490-I502 HydrophobicContact CZ-CD1 3.97Å; F490-L510 HydrophobicContact CZ-CD2 4.24Å; F490-V513 HydrophobicContact CD1-CG2 4.22Å; F490-V513 HydrophobicContact CE1-CB 4.14Å; F490-V513 HydrophobicContact CE1-CG1 3.82Å; F490-V513 HydrophobicContact CE1-CG2 3.18Å; F490-V513 HydrophobicContact CE2-CG2 4.13Å; F490-V513 HydrophobicContact CZ-CB 4.46Å; F490-V513 HydrophobicContact CZ-CG2 3.14Å; F490-V519 HydrophobicContact CD1-CG2 3.74Å; F490-V519 HydrophobicContact CE1-CB 4.46Å; F490-V519 HydrophobicContact CE1-CG1 4.3Å; F490-V519 HydrophobicContact CE1-CG2 3.38Å; F490-V519 HydrophobicContact CZ-CG2 4.38Å
491	P	47.2	Very low	38	Very low	53 Å²	53	101.9 Å²	101.9	34%	0.344	54%	0.536	S	S	.	.			trans	-71.3	96.7	171	27.9	-22.6	0	0	0	108.8	S493 Q518	P491-S493 PolarHBondContact O-N 2.88Å; P491-Q518 WeakPolarHBondContact CD-O 3.33Å; P491-Q518 HydrophobicContact CG-CB 4.15Å
492	K	42.8	Very low	38.5	Very low	163 Å²	163	95.8 Å²	95.8	71%	0.709	50%	0.503	S	S	*	.	S	Bend	trans	-61.9	-11.1	176.3	-69	-176.2	-176.9	170	0	113.6	F490 E500	F490-K492 PolarHBondContact O-N 2.93Å; K492-E500 WeakPolarHBondContact CE-OE2 3.41Å; K492-E500 IonicContact NZ-OE1 3.04Å; K492-E500 IonicContact NZ-OE2 3.7Å; K492-E500 PolarHBondContact NZ-OE2 2.79Å
493	S	38.8	Very low	38.9	Very low	50 Å²	50	92.9 Å²	92.9	35%	0.35	49%	0.492	S	S	.	.	S	Bend	trans	-161.8	154.4	166.1	65.7	0	0	0	0	110	P491 Q495 C496	P491-S493 PolarHBondContact O-N 2.88Å; S493-Q495 PolarHBondContact O-N 2.86Å; S493-Q495 PolarHBondContact OG-N 2.93Å; S493-C496 PolarHBondContact O-N 2.87Å; S493-C496 PolarHBondContact OG-N 2.84Å
494	A	40	Very low	39.4	Very low	117 Å²	117	96.5 Å²	96.5	97%	0.967	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-6.2	169	0	0	0	0	0	113.9
495	Q	37.4	Very low	39.5	Very low	120 Å²	120	98.4 Å²	98.4	56%	0.561	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-11.7	-171.3	-63.3	-174.8	-6.3	0	0	115	S387 S493	S387-Q495 PolarHBondContact O-NE2 2.98Å; S493-Q495 PolarHBondContact O-N 2.86Å; S493-Q495 PolarHBondContact OG-N 2.93Å
496	C	27.6	Very low	39.6	Very low	61 Å²	61	97.8 Å²	97.8	41%	0.412	50%	0.5	S	S	.	.			trans	-144.7	108	-173.7	-99.4	0	0	0	0	111.3	S493 Y498	S493-C496 PolarHBondContact O-N 2.87Å; S493-C496 PolarHBondContact OG-N 2.84Å; C496-Y498 VanDerWaalsContact C-N 3.32Å; C496-Y498 HydrophobicContact CB-CD2 4.31Å; C496-Y498 PolarHBondContact O-N 3.29Å
497	I	28.1	Very low	39.8	Very low	138 Å²	138	99.3 Å²	99.3	71%	0.708	51%	0.513	S	S	*	.			trans	-80.5	86.7	159.9	-48.6	171.1	0	0	0	105.9	M489 E499	M489-I497 HydrophobicContact CE-CG2 3.98Å; M489-I497 HydrophobicContact SD-CG2 4.04Å; I497-E499 HydrophobicContact CG2-CG 4.4Å
498	Y	26.1	Very low	40	Very low	196 Å²	196	103.6 Å²	103.6	77%	0.769	54%	0.539	S	S	*	.			trans	-84.4	121.7	151.7	-90.9	-85.8	0	0	0	105.7	C496 E500	C496-Y498 VanDerWaalsContact C-N 3.32Å; C496-Y498 HydrophobicContact CB-CD2 4.31Å; C496-Y498 PolarHBondContact O-N 3.29Å; Y498-E500 PolarHBondContact O-N 3.2Å; Y498-E500 VanDerWaalsContact O-N 3.12Å
499	E	31.9	Very low	40.3	Very low	122 Å²	122	103.6 Å²	103.6	57%	0.57	54%	0.544	S	S	*	.			trans	-70.9	100	172.7	-61	-174.1	141.4	0	0	107.5	Y487 M489 I497	Y487-E499 PolarHBondContact OH-OE1 3.36Å; M489-E499 HydrophobicContact SD-CB 4.12Å; M489-E499 HydrophobicContact SD-CG 3.74Å; I497-E499 HydrophobicContact CG2-CG 4.4Å
500	E	34.7	Very low	40.4	Very low	115 Å²	115	106 Å²	106	54%	0.537	56%	0.557	S	S	.	*			trans	-94.8	95.1	156.5	-155.5	163.5	-144	0	0	104.9	K492 Y498 I502	K492-E500 WeakPolarHBondContact CE-OE2 3.41Å; K492-E500 IonicContact NZ-OE1 3.04Å; K492-E500 IonicContact NZ-OE2 3.7Å; K492-E500 PolarHBondContact NZ-OE2 2.79Å; Y498-E500 PolarHBondContact O-N 3.2Å; Y498-E500 VanDerWaalsContact O-N 3.12Å; E500-I502 PolarHBondContact O-N 3.41Å
501	Q	39	Very low	40.4	Very low	98 Å²	98	108.3 Å²	108.3	46%	0.458	58%	0.583	S	S	.	*			trans	-71.1	118.4	177.3	-171	-179.7	-28	0	0	107.3	Y487 E503	Y487-Q501 HydrophobicContact CD2-CG 4.49Å; Y487-Q501 HydrophobicContact CG-CG 4.32Å; Q501-E503 VanDerWaalsContact C-N 3.27Å; Q501-E503 HydrophobicContact CB-CG 4.25Å; Q501-E503 VanDerWaalsContact CD-OE1 3.28Å; Q501-E503 HydrophobicContact CG-CG 3.68Å; Q501-E503 VanDerWaalsContact NE2-CG 3.25Å; Q501-E503 PolarHBondContact NE2-OE1 2.85Å; Q501-E503 PolarHBondContact O-N 3.45Å; Q501-E503 PolarHBondContact OE1-OE1 3.35Å
502	I	42.1	Very low	40.7	Very low	49 Å²	49	109.9 Å²	109.9	25%	0.251	60%	0.595	S	S	.	*			trans	-73.8	90.4	167.1	-50.9	175	0	0	0	106.6	I488 F490 E500 D504	I488-I502 HydrophobicContact CB-CD1 4Å; I488-I502 HydrophobicContact CG2-CD1 3.8Å; F490-I502 HydrophobicContact CD2-CD1 4.35Å; F490-I502 HydrophobicContact CE2-CD1 3.45Å; F490-I502 VanDerWaalsContact CE2-CD1 3.45Å; F490-I502 HydrophobicContact CE2-CG1 4.27Å; F490-I502 HydrophobicContact CZ-CD1 3.97Å; E500-I502 PolarHBondContact O-N 3.41Å; I502-D504 PolarHBondContact O-N 2.97Å
503	E	42.8	Very low	41.2	Very low	119 Å²	119	103.3 Å²	103.3	56%	0.556	57%	0.569	S	S	*	*			trans	-85.8	82.8	170.4	-68.1	-168	158	0	0	108.7	Q501 E505	Q501-E503 VanDerWaalsContact C-N 3.27Å; Q501-E503 HydrophobicContact CB-CG 4.25Å; Q501-E503 VanDerWaalsContact CD-OE1 3.28Å; Q501-E503 HydrophobicContact CG-CG 3.68Å; Q501-E503 VanDerWaalsContact NE2-CG 3.25Å; Q501-E503 PolarHBondContact NE2-OE1 2.85Å; Q501-E503 PolarHBondContact O-N 3.45Å; Q501-E503 PolarHBondContact OE1-OE1 3.35Å; E503-E505 WeakPolarHBondContact O-CB 3.5Å; E503-E505 WeakPolarHBondContact O-CG 3.3Å; E503-E505 PolarHBondContact O-N 3.32Å
504	D	42.1	Very low	41.7	Very low	172 Å²	172	107.4 Å²	107.4	92%	0.92	58%	0.582	S	S	*	*	S	Bend	trans	43.4	25.1	168.2	-87.1	-16.2	0	0	0	117.3	I502 S506	I502-D504 PolarHBondContact O-N 2.97Å; D504-S506 PolarHBondContact O-N 3.27Å
505	E	38.4	Very low	42	Very low	153 Å²	153	108.1 Å²	108.1	72%	0.715	58%	0.58	S	S	*	*			trans	-104.5	90.6	-171.8	-86.5	-173.9	-171.7	0	0	110.2	E503	E503-E505 WeakPolarHBondContact O-CB 3.5Å; E503-E505 WeakPolarHBondContact O-CG 3.3Å; E503-E505 PolarHBondContact O-N 3.32Å
506	S	43.5	Very low	42.3	Very low	81 Å²	81	107.7 Å²	107.7	57%	0.566	59%	0.586	S	S	*	*			trans	61.9	138.9	165.1	64.9	0	0	0	0	117.9	D504 D508 A509	D504-S506 PolarHBondContact O-N 3.27Å; S506-D508 PolarHBondContact O-N 3.39Å; S506-A509 PolarHBondContact O-N 3.13Å
507	D	47.3	Very low	43.3	Very low	147 Å²	147	108.3 Å²	108.3	79%	0.786	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-49.2	-22.7	174.3	-63.1	-33.1	0	0	0	114.3	A509 L510 A511	D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 PolarHBondContact O-N 3.4Å; D507-L510 PolarHBondContact O-N 2.94Å; D507-A511 PolarHBondContact O-N 2.92Å
508	D	48.9	Very low	44.1	Very low	131 Å²	131	108.9 Å²	108.9	70%	0.701	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-61.9	-29.3	179.7	-70	-29.7	0	0	0	114.2	S506 A511	S506-D508 PolarHBondContact O-N 3.39Å; D508-A511 WeakPolarHBondContact O-CB 3.38Å; D508-A511 PolarHBondContact O-N 2.67Å
509	A	49.5	Very low	45.1	Very low	37 Å²	37	100.3 Å²	100.3	31%	0.306	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-68.3	-37.2	179.7	0	0	0	0	0	112.1	S506 D507 S512	S506-A509 PolarHBondContact O-N 3.13Å; D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 PolarHBondContact O-N 3.4Å; A509-S512 PolarHBondContact O-OG 3.36Å; A509-S512 VanDerWaalsContact O-OG 3.1Å
510	L	50.9	Low	45.7	Very low	68 Å²	68	96.7 Å²	96.7	36%	0.356	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-79.5	-20.9	176.5	-78.1	160.8	0	0	0	112.8	F490 D507 S512 V513	F490-L510 HydrophobicContact CZ-CD2 4.24Å; D507-L510 PolarHBondContact O-N 2.94Å; L510-S512 PolarHBondContact O-N 2.99Å; L510-S512 VanDerWaalsContact O-N 3.11Å; L510-V513 HydrophobicContact CD2-CG2 4.21Å; L510-V513 WeakPolarHBondContact O-CB 3.36Å; L510-V513 VanDerWaalsContact O-CG2 3.28Å; L510-V513 WeakPolarHBondContact O-CG2 3.34Å; L510-V513 PolarHBondContact O-N 3.48Å; L510-V513 VanDerWaalsContact O-N 3.13Å
511	A	49.8	Very low	46.2	Very low	84 Å²	84	94 Å²	94	69%	0.694	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17.2	178.5	0	0	0	0	0	113.8	D507 D508	D507-A511 PolarHBondContact O-N 2.92Å; D508-A511 WeakPolarHBondContact O-CB 3.38Å; D508-A511 PolarHBondContact O-N 2.67Å
512	S	53.5	Low	46.3	Very low	87 Å²	87	90.4 Å²	90.4	61%	0.608	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-88.6	-5.2	178.1	69.2	0	0	0	0	114.8	A509 L510 E514	A509-S512 PolarHBondContact O-OG 3.36Å; A509-S512 VanDerWaalsContact O-OG 3.1Å; L510-S512 PolarHBondContact O-N 2.99Å; L510-S512 VanDerWaalsContact O-N 3.11Å; S512-E514 PolarHBondContact O-N 3.44Å
513	V	52.5	Low	46.5	Very low	25 Å²	25	92.7 Å²	92.7	15%	0.152	52%	0.518	C	S	.	.			trans	-80.8	113.7	-173.4	-174.8	0	0	0	0	110.3	V349 F490 L510 D517	V349-V513 HydrophobicContact CG1-CG1 4.45Å; F490-V513 HydrophobicContact CD1-CG2 4.22Å; F490-V513 HydrophobicContact CE1-CB 4.14Å; F490-V513 HydrophobicContact CE1-CG1 3.82Å; F490-V513 HydrophobicContact CE1-CG2 3.18Å; F490-V513 HydrophobicContact CE2-CG2 4.13Å; F490-V513 HydrophobicContact CZ-CB 4.46Å; F490-V513 HydrophobicContact CZ-CG2 3.14Å; L510-V513 HydrophobicContact CD2-CG2 4.21Å; L510-V513 WeakPolarHBondContact O-CB 3.36Å; L510-V513 VanDerWaalsContact O-CG2 3.28Å; L510-V513 WeakPolarHBondContact O-CG2 3.34Å; L510-V513 PolarHBondContact O-N 3.48Å; L510-V513 VanDerWaalsContact O-N 3.13Å; V513-D517 HydrophobicContact CG1-CB 3.99Å
514	E	50.2	Low	46.2	Very low	135 Å²	135	96.1 Å²	96.1	63%	0.631	53%	0.526	S	S	*	.			trans	-80.7	155.7	173.2	-64	-171.3	175.6	0	0	110.2	S512 T516 D517	S512-E514 PolarHBondContact O-N 3.44Å; E514-T516 PolarHBondContact O-N 3.36Å; E514-D517 PolarHBondContact N-OD2 3.03Å; E514-D517 WeakPolarHBondContact O-CB 3.38Å; E514-D517 PolarHBondContact O-N 2.87Å
515	S	46.5	Very low	46	Very low	132 Å²	132	92.9 Å²	92.9	92%	0.923	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-6.9	179.5	58.6	0	0	0	0	114.8
516	T	42.7	Very low	45.9	Very low	111 Å²	111	88.8 Å²	88.8	68%	0.681	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.1	178.1	67.2	0	0	0	0	114	E514	E514-T516 PolarHBondContact O-N 3.36Å
517	D	48.3	Very low	45.5	Very low	74 Å²	74	89.9 Å²	89.9	40%	0.396	51%	0.51	S	S	.	.			trans	-71.9	132.5	-178.5	-72	-35.4	0	0	0	111.1	V513 E514	V513-D517 HydrophobicContact CG1-CB 3.99Å; E514-D517 PolarHBondContact N-OD2 3.03Å; E514-D517 WeakPolarHBondContact O-CB 3.38Å; E514-D517 PolarHBondContact O-N 2.87Å
518	Q	45.8	Very low	45.1	Very low	151 Å²	151	87.6 Å²	87.6	71%	0.706	51%	0.505	S	S	*	.			trans	-81.2	136.8	169.7	-69.1	-172.3	-5.9	0	0	109	P491	P491-Q518 WeakPolarHBondContact CD-O 3.33Å; P491-Q518 HydrophobicContact CG-CB 4.15Å
519	V	47.1	Very low	44.5	Very low	15 Å²	15	83.8 Å²	83.8	9%	0.091	50%	0.497	C	S	.	.			trans	-123.9	127	176.9	-173	0	0	0	0	109	L351 I488 F490	L351-V519 HydrophobicContact CD1-CB 4Å; L351-V519 HydrophobicContact CD1-CG1 3.68Å; L351-V519 HydrophobicContact CD1-CG2 4.29Å; L351-V519 HydrophobicContact CD2-CB 3.71Å; L351-V519 HydrophobicContact CD2-CG1 4.3Å; L351-V519 HydrophobicContact CD2-CG2 3.4Å; L351-V519 VanDerWaalsContact CD2-CG2 3.4Å; L351-V519 HydrophobicContact CG-CB 4.34Å; L351-V519 HydrophobicContact CG-CG2 4.44Å; I488-V519 HydrophobicContact CB-CG1 4.49Å; I488-V519 HydrophobicContact CG2-CG1 3.11Å; F490-V519 HydrophobicContact CD1-CG2 3.74Å; F490-V519 HydrophobicContact CE1-CB 4.46Å; F490-V519 HydrophobicContact CE1-CG1 4.3Å; F490-V519 HydrophobicContact CE1-CG2 3.38Å; F490-V519 HydrophobicContact CZ-CG2 4.38Å
520	V	44.4	Very low	43.7	Very low	47 Å²	47	86 Å²	86	29%	0.285	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.1	-178.8	-175.3	0	0	0	0	108.2	M489	M489-V520 HydrophobicContact CE-CB 4.34Å; M489-V520 HydrophobicContact CE-CG1 4.33Å; M489-V520 PolarHBondContact N-O 2.82Å; M489-V520 PolarHBondContact O-N 3.29Å
521	M	44.4	Very low	43	Very low	57 Å²	57	87.7 Å²	87.7	28%	0.281	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.4	170.4	-171.4	-178	92	0	0	109	V353 F486 Y487 I488 W523	V353-M521 HydrophobicContact CB-CB 4.21Å; V353-M521 HydrophobicContact CG1-CB 3.61Å; V353-M521 HydrophobicContact CG1-CE 4.35Å; V353-M521 HydrophobicContact CG2-CB 3.51Å; V353-M521 HydrophobicContact CG2-CG 4.41Å; V353-M521 HydrophobicContact CG2-SD 4.09Å; F486-M521 HydrophobicContact CB-CG 4.14Å; F486-M521 HydrophobicContact CD2-CG 3.85Å; F486-M521 HydrophobicContact CD2-SD 3.89Å; F486-M521 HydrophobicContact CE2-SD 4.39Å; F486-M521 HydrophobicContact CG-CG 4.32Å; F486-M521 HydrophobicContact CG-SD 4.3Å; Y487-M521 WeakPolarHBondContact O-CA 3.19Å; I488-M521 HydrophobicContact CG1-CG 4.49Å; M521-W523 HydrophobicContact CE-CE3 3.8Å; M521-W523 HydrophobicContact CE-CZ3 4.06Å
522	C	41.2	Very low	42.3	Very low	23 Å²	23	87.3 Å²	87.3	16%	0.155	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.5	177.8	-69.8	0	0	0	0	109.3	F486 Y487	F486-C522 CarbonylContact C-O 3.53Å; F486-C522 WeakPolarHBondContact CA-O 3.26Å; Y487-C522 HydrophobicContact CD1-CB 3.88Å; Y487-C522 WeakPolarHBondContact CD1-O 3.36Å; Y487-C522 HydrophobicContact CD2-CB 4.15Å; Y487-C522 HydrophobicContact CE1-CB 3.44Å; Y487-C522 VanDerWaalsContact CE1-CB 3.44Å; Y487-C522 HydrophobicContact CE2-CB 3.77Å; Y487-C522 HydrophobicContact CG-CB 4.22Å; Y487-C522 VanDerWaalsContact CZ-CB 3.41Å; Y487-C522 PolarHBondContact N-O 3.46Å; Y487-C522 PolarHBondContact O-N 3.32Å
523	W	46.6	Very low	41.9	Very low	98 Å²	98	86.4 Å²	86.4	37%	0.371	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.8	173.1	67.5	89.4	0	0	0	111	V353 Q355 F486 M521	V353-W523 HydrophobicContact CG1-CZ3 4.21Å; Q355-W523 HydrophobicContact CB-CH2 3.65Å; Q355-W523 HydrophobicContact CB-CZ2 4.31Å; Q355-W523 VanDerWaalsContact CD-CZ2 3.47Å; Q355-W523 HydrophobicContact CG-CH2 3.42Å; Q355-W523 VanDerWaalsContact CG-CH2 3.42Å; Q355-W523 HydrophobicContact CG-CZ2 3.6Å; Q355-W523 HydrophobicContact CG-CZ3 4.42Å; F486-W523 HydrophobicContact CB-CB 4.03Å; M521-W523 HydrophobicContact CE-CE3 3.8Å; M521-W523 HydrophobicContact CE-CZ3 4.06Å
524	R	37.7	Very low	41.5	Very low	190 Å²	190	94.8 Å²	94.8	72%	0.717	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-96	118.3	171.5	-71.1	-176.8	-178.4	163.4	4.3	109.4	C485 S526	C485-R524 PolarHBondContact O-N 3.29Å; R524-S526 PolarHBondContact O-N 3.33Å
525	I	36.9	Very low	41.2	Very low	104 Å²	104	89.1 Å²	89.1	53%	0.533	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-69.6	126.1	169.1	-56.9	174.1	0	0	0	106.8
526	S	36	Very low	41.7	Very low	67 Å²	67	88.7 Å²	88.7	47%	0.469	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-56.4	151.6	179.5	67.9	0	0	0	0	111.4	R524 S528 G529	R524-S526 PolarHBondContact O-N 3.33Å; S526-S528 PolarHBondContact O-N 3.3Å; S526-S528 VanDerWaalsContact O-N 3.09Å; S526-S528 PolarHBondContact OG-OG 2.77Å; S526-S528 VanDerWaalsContact OG-OG 3.09Å; S526-G529 PolarHBondContact O-N 3.36Å
527	A	35	Very low	42.1	Very low	104 Å²	104	85.5 Å²	85.5	86%	0.86	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.9	178.3	0	0	0	0	0	113.8	G529	A527-G529 VanDerWaalsContact C-N 3.29Å
528	S	39.6	Very low	42.4	Very low	99 Å²	99	87 Å²	87	69%	0.692	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.4	174.5	56.2	0	0	0	0	114	S526 S530	S526-S528 PolarHBondContact O-N 3.3Å; S526-S528 VanDerWaalsContact O-N 3.09Å; S526-S528 PolarHBondContact OG-OG 2.77Å; S526-S528 VanDerWaalsContact OG-OG 3.09Å; S528-S530 PolarHBondContact O-N 2.87Å
529	G	36.9	Very low	42.5	Very low	51 Å²	51	84.3 Å²	84.3	53%	0.526	47%	0.473	S	S	.	.			trans	67.8	6.4	161.4	0	0	0	0	0	117.2	S526 A527 P531	S526-G529 PolarHBondContact O-N 3.36Å; A527-G529 VanDerWaalsContact C-N 3.29Å; G529-P531 WeakPolarHBondContact O-CD 3.35Å
530	S	32.5	Very low	42.1	Very low	84 Å²	84	88.3 Å²	88.3	59%	0.587	50%	0.502	S	S	*	.			trans	-105.5	89.5	173.8	-75.5	0	0	0	0	110.9	S528 C532	S528-S530 PolarHBondContact O-N 2.87Å; S530-C532 PolarHBondContact O-N 3.21Å
531	P	35.5	Very low	41.9	Very low	104 Å²	104	89.1 Å²	89.1	68%	0.675	50%	0.504	S	S	*	.			trans	-79.1	62.5	165.2	35.5	-33.3	0	0	0	108.7	G529	G529-P531 WeakPolarHBondContact O-CD 3.35Å
532	C	36	Very low	41.3	Very low	76 Å²	76	94.9 Å²	94.9	51%	0.514	53%	0.53	S	S	.	.			trans	-95.6	101	173.6	51.5	0	0	0	0	108.6	S530	S530-C532 PolarHBondContact O-N 3.21Å
533	S	43.5	Very low	41	Very low	67 Å²	67	98.4 Å²	98.4	47%	0.469	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-69.3	127.1	154.3	-66.4	0	0	0	0	106.9	V535	S533-V535 PolarHBondContact O-N 2.9Å
534	W	44.6	Very low	40.1	Very low	201 Å²	201	100.1 Å²	100.1	76%	0.761	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-60.4	121.9	171.3	-68.5	95.9	0	0	0	108.2	P271 P272	P271-W534 WeakPolarHBondContact CB-O 3.48Å; P272-W534 WeakPolarHBondContact CD-O 3.45Å
535	V	44.5	Very low	39.7	Very low	17 Å²	17	93.6 Å²	93.6	10%	0.103	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-101.9	124.7	174.7	179.4	0	0	0	0	107.9	Y262 P272 L274 L422 S533	Y262-V535 HydrophobicContact CD1-CG1 4.13Å; Y262-V535 HydrophobicContact CE1-CG1 3.97Å; Y262-V535 HydrophobicContact CE1-CG2 4.36Å; P272-V535 CarbonylContact O-C 3.6Å; P272-V535 VanDerWaalsContact O-CA 3.32Å; P272-V535 WeakPolarHBondContact O-CA 3.29Å; P272-V535 WeakPolarHBondContact O-CG1 3.47Å; L274-V535 HydrophobicContact CB-CG1 4.03Å; L422-V535 HydrophobicContact CD2-CG2 3.84Å; S533-V535 PolarHBondContact O-N 2.9Å
536	E	57.1	Low	39.3	Very low	122 Å²	122	95 Å²	95	57%	0.57	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	169.7	-72.5	-173.4	175.2	0	0	109.5	P271 P272 V273 L274	P271-E536 HydrophobicContact CB-CG 4.29Å; P271-E536 HydrophobicContact CG-CG 3.66Å; P272-E536 PolarHBondContact O-N 3.08Å; V273-E536 WeakPolarHBondContact CA-O 3.5Å; L274-E536 PolarHBondContact N-O 3.3Å
537	S	50.5	Low	39.1	Very low	44 Å²	44	97.3 Å²	97.3	31%	0.308	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	123.8	170.3	-160.5	0	0	0	0	109.6	D539	S537-D539 PolarHBondContact OG-OD1 2.94Å
538	K	55.9	Low	38.8	Very low	105 Å²	105	95.8 Å²	95.8	46%	0.457	56%	0.557	S	S	.	*			trans	-106.6	77.2	173.8	-154	167.7	-174.7	177.3	0	108.2	V273 S540 I541	V273-K538 HydrophobicContact CG1-CB 3.94Å; K538-S540 PolarHBondContact O-N 2.89Å; K538-I541 HydrophobicContact CD-CD1 3.95Å; K538-I541 HydrophobicContact CD-CG1 3.99Å; K538-I541 HydrophobicContact CG-CD1 4.38Å; K538-I541 HydrophobicContact CG-CG1 3.98Å
539	D	46.7	Very low	38.6	Very low	96 Å²	96	94 Å²	94	51%	0.513	54%	0.543	S	S	.	.			trans	-65.7	-20	-170.6	-72.4	-16.1	0	0	0	114.2	R276 S537	R276-D539 IonicContact CZ-OD1 2.9Å; R276-D539 IonicContact NH1-OD1 2.64Å; R276-D539 PolarHBondContact NH1-OD1 2.87Å; R276-D539 IonicContact NH2-OD1 3.65Å; S537-D539 PolarHBondContact OG-OD1 2.94Å
540	S	39.9	Very low	38.4	Very low	99 Å²	99	97.7 Å²	97.7	69%	0.692	55%	0.546	S	S	*	.			trans	-149.9	97.1	-175.5	58	0	0	0	0	111.2	K538 E542	K538-S540 PolarHBondContact O-N 2.89Å; S540-E542 PolarHBondContact O-N 3.13Å
541	I	38.7	Very low	38.5	Very low	64 Å²	64	98.9 Å²	98.9	33%	0.328	55%	0.554	S	S	.	*			trans	-85.9	106.5	158.9	-56.8	-178.4	0	0	0	105.7	F275 T297 K538 C543	F275-I541 HydrophobicContact CE2-CD1 4.35Å; T297-I541 HydrophobicContact CG2-CD1 3.09Å; K538-I541 HydrophobicContact CD-CD1 3.95Å; K538-I541 HydrophobicContact CD-CG1 3.99Å; K538-I541 HydrophobicContact CG-CD1 4.38Å; K538-I541 HydrophobicContact CG-CG1 3.98Å; I541-C543 PolarHBondContact O-N 2.65Å; I541-C543 VanDerWaalsContact O-N 3.12Å
542	E	33.2	Very low	38.7	Very low	178 Å²	178	97.3 Å²	97.3	83%	0.832	55%	0.55	S	S	*	*			trans	-59.6	113.9	166.1	-71.2	-173.4	163.4	0	0	107.4	S540 V544	S540-E542 PolarHBondContact O-N 3.13Å; E542-V544 PolarHBondContact O-N 3.05Å
543	C	33.4	Very low	39.1	Very low	97 Å²	97	99.3 Å²	99.3	66%	0.655	56%	0.556	S	S	*	*			trans	-53	100.5	-169.5	-60.4	0	0	0	0	112.5	I541 G545	I541-C543 PolarHBondContact O-N 2.65Å; I541-C543 VanDerWaalsContact O-N 3.12Å; C543-G545 PolarHBondContact O-N 3.27Å
544	V	28.3	Very low	39.4	Very low	133 Å²	133	99.2 Å²	99.2	81%	0.806	57%	0.565	S	S	*	*	S	Bend	trans	-78.8	103.8	167	-178	0	0	0	0	107.3	E542	E542-V544 PolarHBondContact O-N 3.05Å
545	G	29.3	Very low	40.3	Very low	53 Å²	53	96.9 Å²	96.9	55%	0.546	56%	0.556	S	S	.	*	S	Bend	trans	61.6	87.2	167.1	0	0	0	0	0	112.8	Q296 C543 L547	Q296-G545 PolarHBondContact NE2-O 3.31Å; C543-G545 PolarHBondContact O-N 3.27Å; G545-L547 PolarHBondContact O-N 3.15Å
546	M	28.4	Very low	41.9	Very low	134 Å²	134	97.2 Å²	97.2	66%	0.66	56%	0.558	S	S	*	*			trans	-38.2	122.5	164.3	-63.9	172.5	91.7	0	0	108.6	N548 P549	M546-N548 PolarHBondContact O-N 2.87Å; M546-P549 HydrophobicContact CE-CB 3.64Å; M546-P549 VanDerWaalsContact CE-CD 3.48Å; M546-P549 HydrophobicContact CE-CG 3.3Å; M546-P549 HydrophobicContact SD-CG 3.94Å
547	L	32	Very low	43.3	Very low	115 Å²	115	93.2 Å²	93.2	60%	0.602	54%	0.541	S	S	*	.	S	Bend	trans	-47.3	112	143.5	-80.4	168	0	0	0	103.8	Q296 G545	Q296-L547 VanDerWaalsContact OE1-CD1 3.25Å; Q296-L547 VanDerWaalsContact OE1-CG 3.24Å; G545-L547 PolarHBondContact O-N 3.15Å
548	N	29.4	Very low	45.3	Very low	73 Å²	73	91.1 Å²	91.1	39%	0.39	53%	0.526	S	S	.	.			trans	-42.4	120	-164.1	-159.8	1.2	0	0	0	108.1	M546 E550 S551 A552	M546-N548 PolarHBondContact O-N 2.87Å; N548-E550 HydrophobicContact CB-CB 4.48Å; N548-E550 PolarHBondContact ND2-OE2 3.08Å; N548-E550 PolarHBondContact O-N 2.88Å; N548-E550 WeakPolarHBondContact OD1-CG 3.36Å; N548-E550 PolarHBondContact OD1-OE2 3.17Å; N548-S551 PolarHBondContact O-N 3.42Å; N548-A552 PolarHBondContact O-N 2.91Å
549	P	35.4	Very low	46.9	Very low	62 Å²	62	89 Å²	89	40%	0.403	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.8	174	28.3	-36.8	0	0	0	110.1	M546 A552 N553	M546-P549 HydrophobicContact CE-CB 3.64Å; M546-P549 VanDerWaalsContact CE-CD 3.48Å; M546-P549 HydrophobicContact CE-CG 3.3Å; M546-P549 HydrophobicContact SD-CG 3.94Å; P549-A552 CarbonylContact O-C 3.51Å; P549-A552 WeakPolarHBondContact O-CA 3.44Å; P549-A552 PolarHBondContact O-N 2.96Å; P549-N553 PolarHBondContact O-N 3.36Å
550	E	31.3	Very low	48.6	Very low	127 Å²	127	86.5 Å²	86.5	59%	0.593	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.4	172.4	-53.2	-179.3	150.4	0	0	114.4	N548 A552 N553	N548-E550 HydrophobicContact CB-CB 4.48Å; N548-E550 PolarHBondContact ND2-OE2 3.08Å; N548-E550 PolarHBondContact O-N 2.88Å; N548-E550 WeakPolarHBondContact OD1-CG 3.36Å; N548-E550 PolarHBondContact OD1-OE2 3.17Å; E550-A552 VanDerWaalsContact C-N 3.3Å; E550-N553 VanDerWaalsContact O-CB 3.26Å; E550-N553 WeakPolarHBondContact O-CB 3.39Å; E550-N553 PolarHBondContact O-N 3.49Å; E550-N553 PolarHBondContact O-ND2 2.83Å; E550-N553 VanDerWaalsContact O-ND2 3.1Å
551	S	36.1	Very low	50.8	Low	109 Å²	109	81.8 Å²	81.8	76%	0.762	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.4	167.2	-65.4	0	0	0	0	110.9	N548 N553	N548-S551 PolarHBondContact O-N 3.42Å; S551-N553 PolarHBondContact O-N 3.28Å
552	A	39.4	Very low	53.2	Low	72 Å²	72	78.8 Å²	78.8	60%	0.595	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	34.9	164.1	0	0	0	0	0	112.6	N548 P549 E550 G554	N548-A552 PolarHBondContact O-N 2.91Å; P549-A552 CarbonylContact O-C 3.51Å; P549-A552 WeakPolarHBondContact O-CA 3.44Å; P549-A552 PolarHBondContact O-N 2.96Å; E550-A552 VanDerWaalsContact C-N 3.3Å; A552-G554 VanDerWaalsContact O-CA 3.22Å; A552-G554 WeakPolarHBondContact O-CA 3.42Å; A552-G554 PolarHBondContact O-N 3.17Å
553	N	43.4	Very low	55.6	Low	118 Å²	118	75.3 Å²	75.3	63%	0.631	44%	0.437	S	S	*	.			trans	-63.9	31.3	160.6	-95.1	-32.7	0	0	0	112.2	P549 E550 S551 R555	P549-N553 PolarHBondContact O-N 3.36Å; E550-N553 VanDerWaalsContact O-CB 3.26Å; E550-N553 WeakPolarHBondContact O-CB 3.39Å; E550-N553 PolarHBondContact O-N 3.49Å; E550-N553 PolarHBondContact O-ND2 2.83Å; E550-N553 VanDerWaalsContact O-ND2 3.1Å; S551-N553 PolarHBondContact O-N 3.28Å; N553-R555 WeakPolarHBondContact O-CG 3.46Å; N553-R555 PolarHBondContact O-N 3.33Å
554	G	49.3	Very low	57.7	Low	64 Å²	64	72.1 Å²	72.1	66%	0.66	41%	0.411	S	S	*	.				57.2	17.5	117.3	0	0	0	0	0	117.6	A552 V556	A552-G554 VanDerWaalsContact O-CA 3.22Å; A552-G554 WeakPolarHBondContact O-CA 3.42Å; A552-G554 PolarHBondContact O-N 3.17Å; G554-V556 PolarHBondContact O-N 2.76Å; G554-V556 VanDerWaalsContact O-N 3.08Å
555	R	64.6	Low	60.5	Low	152 Å²	152	67.8 Å²	67.8	57%	0.574	38%	0.382	S	S	*	.			trans	-81.3	93.7	178	-74.4	177.3	-166.7	-161.5	1.7	107.4	N553 N557	N553-R555 WeakPolarHBondContact O-CG 3.46Å; N553-R555 PolarHBondContact O-N 3.33Å; R555-N557 PolarHBondContact O-N 3.12Å
556	V	78.1	Confident	63.3	Low	24 Å²	24	66.1 Å²	66.1	15%	0.145	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	132.9	164.3	-179.5	0	0	0	0	107.6	P253 G554 M561 T621 V623 R624	P253-V556 HydrophobicContact CG-CG1 3.93Å; P253-V556 HydrophobicContact CG-CG2 4.24Å; G554-V556 PolarHBondContact O-N 2.76Å; G554-V556 VanDerWaalsContact O-N 3.08Å; V556-M561 HydrophobicContact CG1-CG 3.82Å; V556-M561 HydrophobicContact CG1-SD 3.74Å; V556-T621 HydrophobicContact CB-CG2 4.39Å; V556-T621 HydrophobicContact CG2-CG2 3.79Å; V556-V623 HydrophobicContact CB-CG2 4.38Å; V556-V623 HydrophobicContact CG1-CG2 4.03Å; V556-V623 CarbonylContact O-C 3.46Å; V556-V623 VanDerWaalsContact O-CA 3.28Å; V556-V623 WeakPolarHBondContact O-CA 3.19Å; V556-R624 PolarHBondContact O-N 3.27Å
557	N	86.7	Confident	65.8	Low	38 Å²	38	61.5 Å²	61.5	20%	0.203	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155	175.1	66.8	68.8	0	0	0	110	R555 I559 D560 M561 R624	R555-N557 PolarHBondContact O-N 3.12Å; N557-I559 PolarHBondContact O-N 3.41Å; N557-I559 WeakPolarHBondContact OD1-CB 3.37Å; N557-I559 PolarHBondContact OD1-N 3.14Å; N557-D560 PolarHBondContact ND2-OD2 3.34Å; N557-D560 PolarHBondContact O-N 3.18Å; N557-D560 PolarHBondContact OD1-N 2.93Å; N557-D560 PolarHBondContact OD1-OD2 3.09Å; N557-M561 WeakPolarHBondContact O-CG 3.16Å; N557-M561 PolarHBondContact O-N 3.3Å; N557-M561 VanDerWaalsContact O-N 3.07Å; N557-R624 CarbonylContact C-O 3.52Å; N557-R624 VanDerWaalsContact CA-O 3.26Å; N557-R624 WeakPolarHBondContact CA-O 3.3Å; N557-R624 HydrophobicContact CB-CB 3.76Å
558	L	91.2	Very high	68.1	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-32	-176.6	177	61.3	0	0	0	111.7	V250 M561 M562 I603 V623 R624 F630 L706 Y708	V250-L558 HydrophobicContact CG2-CD1 4.12Å; L558-M561 PolarHBondContact O-N 3.47Å; L558-M562 HydrophobicContact CD1-CG 3.95Å; L558-M562 HydrophobicContact CD1-SD 4.45Å; L558-M562 HydrophobicContact CG-CG 4.18Å; L558-M562 WeakPolarHBondContact O-CB 3.31Å; L558-M562 WeakPolarHBondContact O-CG 3.35Å; L558-M562 PolarHBondContact O-N 3.04Å; L558-I603 HydrophobicContact CD1-CD1 4.3Å; L558-I603 HydrophobicContact CD1-CG2 3.82Å; L558-I603 HydrophobicContact CD2-CD1 3.9Å; L558-V623 HydrophobicContact CB-CG1 4.47Å; L558-R624 PolarHBondContact N-O 3.45Å; L558-F630 HydrophobicContact CD2-CE2 4.39Å; L558-F630 HydrophobicContact CD2-CZ 4.26Å; L558-F630 HydrophobicContact CG-CE2 4.5Å; L558-F630 HydrophobicContact CG-CZ 4.45Å; L558-L706 HydrophobicContact CD2-CD1 3.83Å; L558-Y708 HydrophobicContact CD2-CE2 4.03Å
559	I	89.4	Confident	70.3	Confident	62 Å²	62	59.4 Å²	59.4	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-48.9	178.1	-67.5	167.3	0	0	0	109.5	N557 M562 R563 P626 F630 Y635	N557-I559 PolarHBondContact O-N 3.41Å; N557-I559 WeakPolarHBondContact OD1-CB 3.37Å; N557-I559 PolarHBondContact OD1-N 3.14Å; I559-M562 PolarHBondContact O-N 3.48Å; I559-R563 WeakPolarHBondContact O-CG 3.37Å; I559-R563 PolarHBondContact O-N 3.27Å; I559-P626 HydrophobicContact CD1-CG 4.11Å; I559-P626 HydrophobicContact CG1-CG 4.25Å; I559-F630 HydrophobicContact CG1-CE2 4.41Å; I559-Y635 WeakPolarHBondContact CA-OH 3.28Å; I559-Y635 WeakPolarHBondContact CG2-OH 3.23Å; I559-Y635 PolarHBondContact O-OH 2.84Å
560	D	82.7	Confident	72.2	Confident	42 Å²	42	58 Å²	58	23%	0.225	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-35	178.6	-65.3	-33.3	0	0	0	112.1	N557 M562 R563 Y564	N557-D560 PolarHBondContact ND2-OD2 3.34Å; N557-D560 PolarHBondContact O-N 3.18Å; N557-D560 PolarHBondContact OD1-N 2.93Å; N557-D560 PolarHBondContact OD1-OD2 3.09Å; D560-M562 VanDerWaalsContact C-N 3.32Å; D560-M562 PolarHBondContact O-N 3.16Å; D560-R563 PolarHBondContact O-N 2.86Å; D560-R563 IonicContact OD1-CZ 3.98Å; D560-R563 IonicContact OD1-NH1 3.38Å; D560-R563 PolarHBondContact OD1-NH1 3.25Å; D560-Y564 WeakPolarHBondContact O-CB 3.26Å; D560-Y564 PolarHBondContact O-N 2.86Å
561	M	86.8	Confident	74.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-36.6	171.6	-68.6	173.9	69.9	0	0	113.1	V250 P251 L252 V556 N557 L558 F565 I605 V623	V250-M561 HydrophobicContact CB-CB 4.33Å; V250-M561 HydrophobicContact CB-CE 3.94Å; V250-M561 HydrophobicContact CG2-CE 3.46Å; V250-M561 VanDerWaalsContact CG2-CE 3.46Å; P251-M561 VanDerWaalsContact O-CE 3.29Å; P251-M561 WeakPolarHBondContact O-CE 3.33Å; L252-M561 HydrophobicContact CG-CE 4.22Å; V556-M561 HydrophobicContact CG1-CG 3.82Å; V556-M561 HydrophobicContact CG1-SD 3.74Å; N557-M561 WeakPolarHBondContact O-CG 3.16Å; N557-M561 PolarHBondContact O-N 3.3Å; N557-M561 VanDerWaalsContact O-N 3.07Å; L558-M561 PolarHBondContact O-N 3.47Å; M561-F565 WeakPolarHBondContact O-CB 3.36Å; M561-F565 PolarHBondContact O-N 2.58Å; M561-I605 HydrophobicContact CE-CG2 4.01Å; M561-V623 HydrophobicContact SD-CB 4.43Å; M561-V623 HydrophobicContact SD-CG1 3.52Å; M561-V623 VanDerWaalsContact SD-CG1 3.52Å; M561-V623 HydrophobicContact SD-CG2 3.97Å
562	M	88.6	Confident	76.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-74	-37.7	177.1	-72.4	-67.5	-53.2	0	0	112.1	V248 V250 L558 I559 D560 F565 T566 F594 I603 F630 M632 Y635	V248-M562 HydrophobicContact CG1-CE 4.09Å; V248-M562 HydrophobicContact CG1-SD 3.9Å; V250-M562 HydrophobicContact CG1-CG 4.41Å; V250-M562 HydrophobicContact CG1-SD 3.48Å; V250-M562 WeakPolarHBondContact CG1-SD 3.49Å; L558-M562 HydrophobicContact CD1-CG 3.95Å; L558-M562 HydrophobicContact CD1-SD 4.45Å; L558-M562 HydrophobicContact CG-CG 4.18Å; L558-M562 WeakPolarHBondContact O-CB 3.31Å; L558-M562 WeakPolarHBondContact O-CG 3.35Å; L558-M562 PolarHBondContact O-N 3.04Å; I559-M562 PolarHBondContact O-N 3.48Å; D560-M562 VanDerWaalsContact C-N 3.32Å; D560-M562 PolarHBondContact O-N 3.16Å; M562-F565 PolarHBondContact O-N 2.84Å; M562-T566 PolarHBondContact O-N 2.85Å; M562-T566 VanDerWaalsContact O-N 3.16Å; M562-T566 PolarHBondContact O-OG1 2.81Å; M562-F594 HydrophobicContact CE-CE2 3.6Å; M562-F594 HydrophobicContact CE-CZ 3.86Å; M562-I603 HydrophobicContact SD-CD1 4.33Å; M562-F630 HydrophobicContact CG-CZ 4.07Å; M562-M632 HydrophobicContact CE-CE 3.61Å; M562-M632 HydrophobicContact CE-SD 3.82Å; M562-Y635 HydrophobicContact CB-CD1 4.11Å; M562-Y635 HydrophobicContact CB-CD2 4.18Å; M562-Y635 HydrophobicContact CB-CE1 3.61Å; M562-Y635 HydrophobicContact CB-CE2 3.71Å; M562-Y635 HydrophobicContact CB-CG 4.38Å; M562-Y635 VanDerWaalsContact CB-CZ 3.4Å; M562-Y635 HydrophobicContact CE-CD2 4.03Å; M562-Y635 HydrophobicContact CE-CE2 4.44Å; M562-Y635 HydrophobicContact CE-CG 4.35Å; M562-Y635 HydrophobicContact CG-CE2 4.35Å
563	R	83.3	Confident	78	Confident	106 Å²	106	47.1 Å²	47.1	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-52.4	168.6	-69.8	174.1	177.5	165.7	-9.7	109.8	I559 D560 F565 T566 D567 Y635	I559-R563 WeakPolarHBondContact O-CG 3.37Å; I559-R563 PolarHBondContact O-N 3.27Å; D560-R563 PolarHBondContact O-N 2.86Å; D560-R563 IonicContact OD1-CZ 3.98Å; D560-R563 IonicContact OD1-NH1 3.38Å; D560-R563 PolarHBondContact OD1-NH1 3.25Å; R563-F565 VanDerWaalsContact C-N 3.27Å; R563-F565 PolarHBondContact O-N 2.66Å; R563-T566 CarbonylContact O-C 3.59Å; R563-T566 PolarHBondContact O-N 3.43Å; R563-T566 PolarHBondContact O-OG1 2.84Å; R563-T566 VanDerWaalsContact O-OG1 3.12Å; R563-D567 PolarHBondContact O-N 3.23Å; R563-Y635 HydrophobicContact CB-CE1 4.41Å; R563-Y635 HydrophobicContact CG-CE1 3.71Å
564	Y	78.8	Confident	79.4	Confident	30 Å²	30	50.4 Å²	50.4	12%	0.118	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-39.9	176.7	178.4	-87.3	0	0	0	113.1	P251 N283 D284 R324 D560 T566	P251-Y564 HydrophobicContact CG-CD1 3.77Å; P251-Y564 HydrophobicContact CG-CE1 3.52Å; N283-Y564 HydrophobicContact CB-CD2 4.25Å; N283-Y564 HydrophobicContact CB-CE2 3.53Å; N283-Y564 PolarHBondContact ND2-OH 3.3Å; N283-Y564 WeakPolarHBondContact O-CD2 3.4Å; N283-Y564 WeakPolarHBondContact O-CE2 3.46Å; D284-Y564 HydrophobicContact CB-CD2 4.39Å; R324-Y564 VanDerWaalsContact CZ-CZ 3.47Å; R324-Y564 VanDerWaalsContact NE-CE2 3.31Å; R324-Y564 PolarHBondContact NH2-OH 2.92Å; D560-Y564 WeakPolarHBondContact O-CB 3.26Å; D560-Y564 PolarHBondContact O-N 2.86Å; Y564-T566 PolarHBondContact O-N 2.93Å
565	F	85.7	Confident	80.9	Confident	42 Å²	42	53.2 Å²	53.2	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-27.9	176.6	177.4	-94.2	0	0	0	113.1	V248 V250 M561 M562 R563 L592 F594	V248-F565 HydrophobicContact CG1-CD1 4.27Å; V248-F565 HydrophobicContact CG1-CE1 4.08Å; V248-F565 HydrophobicContact CG1-CE2 4.45Å; V248-F565 HydrophobicContact CG1-CZ 4.17Å; V250-F565 HydrophobicContact CG1-CB 4.19Å; V250-F565 HydrophobicContact CG1-CD2 4.46Å; V250-F565 HydrophobicContact CG1-CG 4.38Å; M561-F565 WeakPolarHBondContact O-CB 3.36Å; M561-F565 PolarHBondContact O-N 2.58Å; M562-F565 PolarHBondContact O-N 2.84Å; R563-F565 VanDerWaalsContact C-N 3.27Å; R563-F565 PolarHBondContact O-N 2.66Å; F565-L592 HydrophobicContact CE1-CB 4.43Å; F565-L592 HydrophobicContact CE2-CD1 4.33Å; F565-L592 HydrophobicContact CZ-CD1 4.07Å; F565-F594 HydrophobicContact CD1-CE2 4.27Å; F565-F594 HydrophobicContact CD1-CZ 4.13Å; F565-F594 HydrophobicContact CE1-CE1 4.46Å; F565-F594 HydrophobicContact CE1-CE2 4.2Å; F565-F594 AromaticContact CE1-CZ 3.7Å; F565-F594 HydrophobicContact CE1-CZ 3.7Å
566	T	89.4	Confident	81.7	Confident	18 Å²	18	46.6 Å²	46.6	11%	0.11	24%	0.243	C	C	.	.	H	α-helix	trans	-103.8	-14	-177.7	53.5	0	0	0	0	114.9	M562 R563 Y564 T591 L592 F594 Y635	M562-T566 PolarHBondContact O-N 2.85Å; M562-T566 VanDerWaalsContact O-N 3.16Å; M562-T566 PolarHBondContact O-OG1 2.81Å; R563-T566 CarbonylContact O-C 3.59Å; R563-T566 PolarHBondContact O-N 3.43Å; R563-T566 PolarHBondContact O-OG1 2.84Å; R563-T566 VanDerWaalsContact O-OG1 3.12Å; Y564-T566 PolarHBondContact O-N 2.93Å; T566-T591 WeakPolarHBondContact O-CG2 3.32Å; T566-L592 WeakPolarHBondContact CA-O 3.18Å; T566-L592 WeakPolarHBondContact CB-O 3.26Å; T566-L592 VanDerWaalsContact CG2-O 3.3Å; T566-L592 WeakPolarHBondContact CG2-O 3.16Å; T566-F594 HydrophobicContact CG2-CD2 4.34Å; T566-F594 HydrophobicContact CG2-CE2 4.02Å; T566-Y635 HydrophobicContact CG2-CD1 4.44Å
567	D	80.1	Confident	82	Confident	36 Å²	36	47.6 Å²	47.6	19%	0.193	24%	0.244	C	C	.	.	S	Bend	trans	-62	141.9	173.7	-79.9	-8.9	0	0	0	110.8	R286 R563 E569	R286-D567 IonicContact NH1-OD2 3.57Å; R563-D567 PolarHBondContact O-N 3.23Å; D567-E569 PolarHBondContact O-N 3.29Å
568	P	80.3	Confident	82.2	Confident	73 Å²	73	52 Å²	52	47%	0.474	26%	0.258	S	S	.	.			trans	-57.6	128.9	173.3	-23	32.7	0	0	0	111.9	T591	P568-T591 WeakPolarHBondContact CB-OG1 3.4Å; P568-T591 HydrophobicContact CG-CG2 4.11Å
569	E	76.3	Confident	81.9	Confident	71 Å²	71	52 Å²	52	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.3	169	68.6	-178	170.3	0	0	110.8	D567 L571 T589 K590	D567-E569 PolarHBondContact O-N 3.29Å; E569-L571 HydrophobicContact CG-CD2 4.49Å; E569-T589 CarbonylContact O-C 3.49Å; E569-T589 VanDerWaalsContact O-CA 3.23Å; E569-T589 WeakPolarHBondContact O-CA 3.28Å; E569-K590 HydrophobicContact CG-CB 3.94Å; E569-K590 WeakPolarHBondContact CG-O 3.4Å; E569-K590 PolarHBondContact N-O 3.11Å; E569-K590 PolarHBondContact O-N 2.82Å; E569-K590 IonicContact OE1-NZ 2.66Å
570	I	74.5	Confident	81.7	Confident	33 Å²	33	53 Å²	53	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.7	176.2	-70.9	174.8	0	0	0	109.7	L233 F326 A572 M587 A588 T589	L233-I570 HydrophobicContact CD1-CD1 4.14Å; L233-I570 HydrophobicContact CD1-CG1 4.25Å; L233-I570 HydrophobicContact CD1-CG2 4.21Å; F326-I570 HydrophobicContact CD2-CB 4.48Å; F326-I570 HydrophobicContact CD2-CD1 3.6Å; F326-I570 HydrophobicContact CD2-CG1 4.45Å; F326-I570 HydrophobicContact CE2-CB 3.91Å; F326-I570 HydrophobicContact CE2-CD1 3.43Å; F326-I570 VanDerWaalsContact CE2-CD1 3.43Å; F326-I570 HydrophobicContact CE2-CG1 4.19Å; F326-I570 HydrophobicContact CE2-CG2 4Å; I570-A572 HydrophobicContact CG2-CB 4.25Å; I570-M587 HydrophobicContact CG2-CE 3.85Å; I570-A588 CarbonylContact C-O 3.48Å; I570-A588 WeakPolarHBondContact CA-O 3.45Å; I570-T589 HydrophobicContact CG1-CG2 3.96Å
571	L	81.6	Confident	81.7	Confident	22 Å²	22	56.7 Å²	56.7	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.1	170.7	-59	-174.5	0	0	0	109.6	L230 E569 E575 W577 M587 A588 K590	L230-L571 HydrophobicContact CD2-CD1 3.61Å; E569-L571 HydrophobicContact CG-CD2 4.49Å; L571-E575 WeakPolarHBondContact CB-O 3.35Å; L571-W577 HydrophobicContact CD1-CB 4.42Å; L571-M587 VanDerWaalsContact O-CA 3.31Å; L571-M587 WeakPolarHBondContact O-CA 3.25Å; L571-A588 PolarHBondContact N-O 3.44Å; L571-A588 PolarHBondContact O-N 2.77Å; L571-K590 HydrophobicContact CD1-CB 3.96Å; L571-K590 HydrophobicContact CD1-CD 4.1Å; L571-K590 HydrophobicContact CD2-CB 4.34Å; L571-K590 HydrophobicContact CD2-CD 4.33Å; L571-K590 HydrophobicContact CG-CB 3.96Å
572	A	73.4	Confident	81.4	Confident	11 Å²	11	57.8 Å²	57.8	9%	0.091	28%	0.283	C	S	.	.			trans	-133.4	166.8	-179.2	0	0	0	0	0	111.9	L311 I570 E574 E575 S576 M587	L311-A572 HydrophobicContact CD2-CB 4.04Å; I570-A572 HydrophobicContact CG2-CB 4.25Å; A572-E574 PolarHBondContact O-N 3.45Å; A572-E575 PolarHBondContact O-N 3.2Å; A572-E575 VanDerWaalsContact O-N 3.15Å; A572-S576 WeakPolarHBondContact CA-OG 3.38Å; A572-M587 HydrophobicContact CB-CE 4.34Å; A572-M587 HydrophobicContact CB-CG 4.32Å
573	G	73.6	Confident	81.2	Confident	46 Å²	46	61.7 Å²	61.7	47%	0.474	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	61.2	-125.3	178	0	0	0	0	0	112.4	E575 S576	G573-E575 VanDerWaalsContact C-N 3.25Å; G573-E575 PolarHBondContact O-N 3.36Å; G573-S576 PolarHBondContact N-OG 2.99Å; G573-S576 VanDerWaalsContact O-CB 3.26Å; G573-S576 WeakPolarHBondContact O-CB 3.2Å; G573-S576 PolarHBondContact O-N 2.83Å; G573-S576 PolarHBondContact O-OG 3.45Å
574	E	73.4	Confident	81.3	Confident	188 Å²	188	61.5 Å²	61.5	88%	0.879	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68	-26.4	180	-63.2	-179.5	173.6	0	0	112.8	A572 S576 R585	A572-E574 PolarHBondContact O-N 3.45Å; E574-S576 VanDerWaalsContact C-N 3.31Å; E574-R585 PolarHBondContact O-NH1 2.94Å; E574-R585 VanDerWaalsContact O-NH1 3.17Å
575	E	80.1	Confident	81.6	Confident	123 Å²	123	67.4 Å²	67.4	58%	0.575	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-85.1	-3.3	177.8	-60.2	-172.6	149.6	0	0	112.7	L571 A572 G573 W577	L571-E575 WeakPolarHBondContact CB-O 3.35Å; A572-E575 PolarHBondContact O-N 3.2Å; A572-E575 VanDerWaalsContact O-N 3.15Å; G573-E575 VanDerWaalsContact C-N 3.25Å; G573-E575 PolarHBondContact O-N 3.36Å; E575-W577 PolarHBondContact O-N 3.24Å
576	S	81.5	Confident	81.4	Confident	12 Å²	12	66.5 Å²	66.5	8%	0.084	33%	0.33	C	S	.	.			trans	-53.1	135.9	179.5	-79	0	0	0	0	113.1	A572 G573 E574 R585 Q586	A572-S576 WeakPolarHBondContact CA-OG 3.38Å; G573-S576 PolarHBondContact N-OG 2.99Å; G573-S576 VanDerWaalsContact O-CB 3.26Å; G573-S576 WeakPolarHBondContact O-CB 3.2Å; G573-S576 PolarHBondContact O-N 2.83Å; G573-S576 PolarHBondContact O-OG 3.45Å; E574-S576 VanDerWaalsContact C-N 3.31Å; S576-R585 PolarHBondContact O-NH1 2.87Å; S576-Q586 CarbonylContact C-O 3.3Å; S576-Q586 VanDerWaalsContact CB-O 3.31Å; S576-Q586 WeakPolarHBondContact CB-O 3.15Å
577	W	85.4	Confident	81	Confident	45 Å²	45	67.4 Å²	67.4	17%	0.17	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.8	-177.7	171.9	56	0	0	0	111.8	L230 C232 K237 L571 E575 C579 R585 Q586 A588	L230-W577 HydrophobicContact CB-CD2 4.4Å; L230-W577 HydrophobicContact CD1-CD2 4.5Å; L230-W577 HydrophobicContact CD1-CG 4.32Å; C232-W577 HydrophobicContact CB-CE3 4.24Å; C232-W577 HydrophobicContact CB-CZ3 3.7Å; K237-W577 HydrophobicContact CG-CH2 4.46Å; L571-W577 HydrophobicContact CD1-CB 4.42Å; E575-W577 PolarHBondContact O-N 3.24Å; W577-C579 HydrophobicContact CE3-CB 4.03Å; W577-C579 HydrophobicContact CH2-CB 4.32Å; W577-C579 HydrophobicContact CZ3-CB 3.95Å; W577-C579 PolarHBondContact O-N 3.48Å; W577-R585 CarbonylContact O-C 3.54Å; W577-R585 VanDerWaalsContact O-CA 3.31Å; W577-R585 WeakPolarHBondContact O-CA 3.1Å; W577-Q586 PolarHBondContact N-O 3Å; W577-Q586 PolarHBondContact O-N 2.77Å; W577-A588 HydrophobicContact CB-CB 3.79Å; W577-A588 HydrophobicContact CD2-CB 4.33Å; W577-A588 HydrophobicContact CE3-CB 3.77Å; W577-A588 HydrophobicContact CG-CB 4.38Å
578	Y	89.7	Confident	81.1	Confident	130 Å²	130	65.7 Å²	65.7	51%	0.51	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	106.6	171.3	-174.7	-91.3	0	0	0	110.1	C583 R585	Y578-C583 WeakPolarHBondContact CE2-O 3.41Å; Y578-C583 WeakPolarHBondContact OH-CA 3.26Å; Y578-C583 PolarHBondContact OH-O 2.93Å; Y578-R585 HydrophobicContact CD2-CG 4.41Å
579	C	84.9	Confident	81.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.7	174.1	176.1	0	0	0	0	108.9	C232 W577 C582 C583 K584 Q586	C232-C579 HydrophobicContact CB-CB 4.43Å; W577-C579 HydrophobicContact CE3-CB 4.03Å; W577-C579 HydrophobicContact CH2-CB 4.32Å; W577-C579 HydrophobicContact CZ3-CB 3.95Å; W577-C579 PolarHBondContact O-N 3.48Å; C579-C582 HydrophobicContact CB-CB 3.94Å; C579-C582 CarbonylContact O-C 3.52Å; C579-C582 PolarHBondContact O-N 2.83Å; C579-C583 WeakPolarHBondContact O-CA 3.47Å; C579-C583 PolarHBondContact O-N 3.11Å; C579-K584 PolarHBondContact N-O 2.81Å; C579-K584 PolarHBondContact O-N 2.92Å; C579-Q586 HydrophobicContact CB-CB 4.2Å; C579-Q586 HydrophobicContact CB-CG 4.03Å
580	D	86.6	Confident	82	Confident	84 Å²	84	61.7 Å²	61.7	45%	0.449	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.2	179	62.6	-16.5	0	0	0	113.3	K237 C582 C583	K237-D580 WeakPolarHBondContact CD-OD1 3.24Å; K237-D580 WeakPolarHBondContact CE-OD1 3.32Å; K237-D580 IonicContact NZ-OD1 2.73Å; K237-D580 PolarHBondContact NZ-OD1 2.72Å; K237-D580 IonicContact NZ-OD2 3.6Å; K237-D580 PolarHBondContact NZ-OD2 2.85Å; D580-C582 PolarHBondContact O-N 3.13Å; D580-C583 PolarHBondContact O-N 3.25Å; D580-C583 PolarHBondContact O-SG 3Å
581	R	81.9	Confident	82.8	Confident	119 Å²	119	61 Å²	61	45%	0.449	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.6	170.2	-179.6	-178	-71.6	178.6	-1.5	111.4	E195 C235 K237	E195-R581 VanDerWaalsContact CD-NH2 3.34Å; E195-R581 IonicContact OE1-CZ 3.76Å; E195-R581 IonicContact OE1-NH1 2.64Å; E195-R581 IonicContact OE1-NH2 2.74Å; E195-R581 PolarHBondContact OE1-NH2 3.36Å; E195-R581 IonicContact OE2-NH2 3.25Å; E195-R581 PolarHBondContact OE2-NH2 2.75Å; C235-R581 PolarHBondContact O-NH1 2.97Å; K237-R581 HydrophobicContact CB-CB 4.49Å; K237-R581 HydrophobicContact CD-CB 3.9Å
582	C	80	Confident	83.4	Confident	24 Å²	24	61.7 Å²	61.7	16%	0.162	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9	177.4	-63.1	0	0	0	0	113.4	F234 C579 D580 K584 Q586	F234-C582 VanDerWaalsContact CD1-SG 3.58Å; C579-C582 HydrophobicContact CB-CB 3.94Å; C579-C582 CarbonylContact O-C 3.52Å; C579-C582 PolarHBondContact O-N 2.83Å; D580-C582 PolarHBondContact O-N 3.13Å; C582-K584 HydrophobicContact CB-CG 4.03Å; C582-K584 WeakPolarHBondContact O-CG 3.48Å; C582-K584 PolarHBondContact O-N 2.81Å; C582-K584 VanDerWaalsContact O-N 3.08Å; C582-Q586 HydrophobicContact CB-CG 3.81Å
583	C	85.6	Confident	84.4	Confident	83 Å²	83	62.1 Å²	62.1	56%	0.561	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	25.7	-169.4	-62.6	0	0	0	0	115	Y578 C579 D580	Y578-C583 WeakPolarHBondContact CE2-O 3.41Å; Y578-C583 WeakPolarHBondContact OH-CA 3.26Å; Y578-C583 PolarHBondContact OH-O 2.93Å; C579-C583 WeakPolarHBondContact O-CA 3.47Å; C579-C583 PolarHBondContact O-N 3.11Å; D580-C583 PolarHBondContact O-N 3.25Å; D580-C583 PolarHBondContact O-SG 3Å
584	K	84	Confident	85.6	Confident	101 Å²	101	60 Å²	60	44%	0.439	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.7	-175.9	71.8	-166.8	179.6	-176.8	0	113	C579 C582 Q586	C579-K584 PolarHBondContact N-O 2.81Å; C579-K584 PolarHBondContact O-N 2.92Å; C582-K584 HydrophobicContact CB-CG 4.03Å; C582-K584 WeakPolarHBondContact O-CG 3.48Å; C582-K584 PolarHBondContact O-N 2.81Å; C582-K584 VanDerWaalsContact O-N 3.08Å; K584-Q586 HydrophobicContact CG-CG 4.15Å; K584-Q586 PolarHBondContact O-N 3.33Å
585	R	85.2	Confident	86.7	Confident	155 Å²	155	51.4 Å²	51.4	59%	0.585	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.6	171.9	-72.2	-172.4	177.7	-128.2	15.8	110.6	E574 S576 W577 Y578	E574-R585 PolarHBondContact O-NH1 2.94Å; E574-R585 VanDerWaalsContact O-NH1 3.17Å; S576-R585 PolarHBondContact O-NH1 2.87Å; W577-R585 CarbonylContact O-C 3.54Å; W577-R585 VanDerWaalsContact O-CA 3.31Å; W577-R585 WeakPolarHBondContact O-CA 3.1Å; Y578-R585 HydrophobicContact CD2-CG 4.41Å
586	Q	83.2	Confident	87.5	Confident	23 Å²	23	48.4 Å²	48.4	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.4	-178	-68.6	-73.5	17.6	0	0	109.7	F234 S576 W577 C579 C582 K584	F234-Q586 HydrophobicContact CB-CG 4.43Å; S576-Q586 CarbonylContact C-O 3.3Å; S576-Q586 VanDerWaalsContact CB-O 3.31Å; S576-Q586 WeakPolarHBondContact CB-O 3.15Å; W577-Q586 PolarHBondContact N-O 3Å; W577-Q586 PolarHBondContact O-N 2.77Å; C579-Q586 HydrophobicContact CB-CB 4.2Å; C579-Q586 HydrophobicContact CB-CG 4.03Å; C582-Q586 HydrophobicContact CB-CG 3.81Å; K584-Q586 HydrophobicContact CG-CG 4.15Å; K584-Q586 PolarHBondContact O-N 3.33Å
587	M	80	Confident	88.3	Confident	36 Å²	36	48 Å²	48	18%	0.177	22%	0.222	C	C	.	.			trans	-65.5	142.9	165.1	-62.6	174.5	62.8	0	0	110	L233 L311 V316 I570 L571 A572	L233-M587 HydrophobicContact CB-CB 4.18Å; L233-M587 HydrophobicContact CD1-CB 4.08Å; L233-M587 HydrophobicContact CD1-CE 4.12Å; L233-M587 PolarHBondContact N-O 2.98Å; L311-M587 HydrophobicContact CB-CE 4.37Å; L311-M587 HydrophobicContact CD2-CE 3.34Å; L311-M587 HydrophobicContact CD2-SD 3.64Å; L311-M587 HydrophobicContact CG-CE 4.43Å; V316-M587 HydrophobicContact CB-CE 4.31Å; V316-M587 HydrophobicContact CG1-CE 3.73Å; V316-M587 HydrophobicContact CG1-SD 4.22Å; I570-M587 HydrophobicContact CG2-CE 3.85Å; L571-M587 VanDerWaalsContact O-CA 3.31Å; L571-M587 WeakPolarHBondContact O-CA 3.25Å; A572-M587 HydrophobicContact CB-CE 4.34Å; A572-M587 HydrophobicContact CB-CG 4.32Å
588	A	82.7	Confident	88.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150	177	0	0	0	0	0	110.8	V231 I570 L571 W577	V231-A588 CarbonylContact O-C 3.49Å; V231-A588 WeakPolarHBondContact O-CA 3.46Å; V231-A588 WeakPolarHBondContact O-CB 3.41Å; I570-A588 CarbonylContact C-O 3.48Å; I570-A588 WeakPolarHBondContact CA-O 3.45Å; L571-A588 PolarHBondContact N-O 3.44Å; L571-A588 PolarHBondContact O-N 2.77Å; W577-A588 HydrophobicContact CB-CB 3.79Å; W577-A588 HydrophobicContact CD2-CB 4.33Å; W577-A588 HydrophobicContact CE3-CB 3.77Å; W577-A588 HydrophobicContact CG-CB 4.38Å
589	T	84.7	Confident	89.1	Confident	29 Å²	29	40.1 Å²	40.1	18%	0.178	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	140.4	159.8	52.3	0	0	0	0	108.9	L230 V231 L233 E569 I570	L230-T589 CarbonylContact C-O 3.57Å; L230-T589 VanDerWaalsContact CA-O 3.24Å; L230-T589 WeakPolarHBondContact CA-O 3.24Å; V231-T589 WeakPolarHBondContact CB-OG1 3.47Å; V231-T589 PolarHBondContact N-O 2.92Å; V231-T589 PolarHBondContact O-N 2.97Å; L233-T589 HydrophobicContact CD1-CG2 4.47Å; L233-T589 HydrophobicContact CD2-CG2 3.93Å; L233-T589 HydrophobicContact CG-CG2 4.43Å; E569-T589 CarbonylContact O-C 3.49Å; E569-T589 VanDerWaalsContact O-CA 3.23Å; E569-T589 WeakPolarHBondContact O-CA 3.28Å; I570-T589 HydrophobicContact CG1-CG2 3.96Å
590	K	90.2	Very high	89.7	Confident	31 Å²	31	40.1 Å²	40.1	14%	0.135	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	169.9	-177.7	178.6	168.5	-162.9	0	107.9	Q229 L230 E569 L571	Q229-K590 CarbonylContact O-C 3.56Å; Q229-K590 WeakPolarHBondContact O-CA 3.48Å; L230-K590 HydrophobicContact CD2-CB 3.69Å; L230-K590 HydrophobicContact CD2-CD 4.23Å; L230-K590 HydrophobicContact CD2-CG 3.85Å; E569-K590 HydrophobicContact CG-CB 3.94Å; E569-K590 WeakPolarHBondContact CG-O 3.4Å; E569-K590 PolarHBondContact N-O 3.11Å; E569-K590 PolarHBondContact O-N 2.82Å; E569-K590 IonicContact OE1-NZ 2.66Å; L571-K590 HydrophobicContact CD1-CB 3.96Å; L571-K590 HydrophobicContact CD1-CD 4.1Å; L571-K590 HydrophobicContact CD2-CB 4.34Å; L571-K590 HydrophobicContact CD2-CD 4.33Å; L571-K590 HydrophobicContact CG-CB 3.96Å
591	T	90.4	Very high	90.2	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.8	179.5	-49.7	0	0	0	0	108.6	S228 Q229 T566 P568	S228-T591 WeakPolarHBondContact CA-O 3.37Å; Q229-T591 PolarHBondContact N-O 3.1Å; Q229-T591 PolarHBondContact O-N 3.49Å; T566-T591 WeakPolarHBondContact O-CG2 3.32Å; P568-T591 WeakPolarHBondContact CB-OG1 3.4Å; P568-T591 HydrophobicContact CG-CG2 4.11Å
592	L	94.1	Very high	91	Very high	37 Å²	37	30.5 Å²	30.5	19%	0.194	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.3	172.3	-66.1	174	0	0	0	108.8	V226 C227 S228 F565 T566	V226-L592 HydrophobicContact CG2-CB 4.4Å; V226-L592 HydrophobicContact CG2-CD2 4.38Å; C227-L592 WeakPolarHBondContact O-CA 3.39Å; S228-L592 WeakPolarHBondContact OG-CD2 3.22Å; F565-L592 HydrophobicContact CE1-CB 4.43Å; F565-L592 HydrophobicContact CE2-CD1 4.33Å; F565-L592 HydrophobicContact CZ-CD1 4.07Å; T566-L592 WeakPolarHBondContact CA-O 3.18Å; T566-L592 WeakPolarHBondContact CB-O 3.26Å; T566-L592 VanDerWaalsContact CG2-O 3.3Å; T566-L592 WeakPolarHBondContact CG2-O 3.16Å
593	N	95.5	Very high	91.9	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.102	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.9	173.1	47.2	78.4	0	0	0	109.9	V226 C227 N637	V226-N593 VanDerWaalsContact CG2-O 3.24Å; V226-N593 WeakPolarHBondContact CG2-O 3.26Å; C227-N593 VanDerWaalsContact CB-OD1 3.27Å; C227-N593 WeakPolarHBondContact CB-OD1 3.37Å; C227-N593 PolarHBondContact N-O 2.98Å; C227-N593 PolarHBondContact O-N 2.83Å; N593-N637 WeakPolarHBondContact OD1-CB 3.17Å; N593-N637 PolarHBondContact OD1-ND2 3.46Å
594	F	98	Very high	92.3	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.8	-174.2	-62.7	-80.6	0	0	0	111	F245 V248 M562 F565 T566 L597 M632 Y635 L636 N637	F245-F594 HydrophobicContact CD1-CD1 4.42Å; F245-F594 AromaticContact CE1-CD1 3.57Å; F245-F594 HydrophobicContact CE1-CD1 3.57Å; F245-F594 AromaticContact CE1-CE1 3.9Å; F245-F594 HydrophobicContact CE1-CE1 3.9Å; F245-F594 HydrophobicContact CE2-CD1 4.38Å; F245-F594 AromaticContact CE2-CE1 3.99Å; F245-F594 HydrophobicContact CE2-CE1 3.99Å; F245-F594 AromaticContact CZ-CD1 3.54Å; F245-F594 HydrophobicContact CZ-CD1 3.54Å; F245-F594 AromaticContact CZ-CE1 3.62Å; F245-F594 HydrophobicContact CZ-CE1 3.62Å; V248-F594 HydrophobicContact CG1-CZ 3.91Å; V248-F594 HydrophobicContact CG2-CE1 3.68Å; V248-F594 HydrophobicContact CG2-CZ 3.76Å; M562-F594 HydrophobicContact CE-CE2 3.6Å; M562-F594 HydrophobicContact CE-CZ 3.86Å; F565-F594 HydrophobicContact CD1-CE2 4.27Å; F565-F594 HydrophobicContact CD1-CZ 4.13Å; F565-F594 HydrophobicContact CE1-CE1 4.46Å; F565-F594 HydrophobicContact CE1-CE2 4.2Å; F565-F594 AromaticContact CE1-CZ 3.7Å; F565-F594 HydrophobicContact CE1-CZ 3.7Å; T566-F594 HydrophobicContact CG2-CD2 4.34Å; T566-F594 HydrophobicContact CG2-CE2 4.02Å; F594-L597 HydrophobicContact CB-CD2 3.71Å; F594-L597 HydrophobicContact CD1-CD2 4.21Å; F594-L597 HydrophobicContact CG-CD2 3.95Å; F594-M632 HydrophobicContact CD2-CE 3.74Å; F594-M632 HydrophobicContact CE1-CE 4.38Å; F594-M632 HydrophobicContact CE2-CE 3.61Å; F594-M632 HydrophobicContact CG-CE 4.2Å; F594-M632 HydrophobicContact CZ-CE 3.95Å; F594-Y635 WeakPolarHBondContact CD2-O 3.28Å; F594-Y635 PolarHBondContact N-O 2.79Å; F594-L636 HydrophobicContact CB-CD2 3.85Å; F594-L636 CarbonylContact O-C 3.55Å; F594-L636 VanDerWaalsContact O-CA 3.26Å; F594-L636 WeakPolarHBondContact O-CA 3.44Å; F594-L636 WeakPolarHBondContact O-CD2 3.32Å; F594-N637 PolarHBondContact O-N 2.98Å
595	W	97.2	Very high	92.6	Very high	8 Å²	8	21 Å²	21	3%	0.03	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-46.9	173.9	-171.9	-89	0	0	0	111.5	I199 T200 A203 L225 Y242 N637 K639 A640 Q643	I199-W595 HydrophobicContact CD1-CH2 4.29Å; I199-W595 HydrophobicContact CD1-CZ3 4.06Å; I199-W595 HydrophobicContact CG1-CH2 4.31Å; T200-W595 HydrophobicContact CG2-CZ2 4.14Å; A203-W595 HydrophobicContact CB-CD2 3.62Å; A203-W595 HydrophobicContact CB-CE3 4.33Å; A203-W595 HydrophobicContact CB-CG 3.95Å; A203-W595 HydrophobicContact CB-CH2 4.25Å; A203-W595 HydrophobicContact CB-CZ2 3.54Å; L225-W595 HydrophobicContact CB-CB 4.33Å; L225-W595 HydrophobicContact CD2-CB 4.16Å; L225-W595 HydrophobicContact CD2-CG 4.15Å; L225-W595 HydrophobicContact CG-CB 4.39Å; L225-W595 PolarHBondContact O-N 2.94Å; Y242-W595 HydrophobicContact CD1-CB 4.28Å; Y242-W595 HydrophobicContact CD1-CD2 4.44Å; Y242-W595 HydrophobicContact CD1-CG 4.29Å; Y242-W595 HydrophobicContact CE1-CB 4.26Å; Y242-W595 AromaticContact CE1-CD2 3.74Å; Y242-W595 HydrophobicContact CE1-CD2 3.74Å; Y242-W595 AromaticContact CE1-CE3 3.59Å; Y242-W595 HydrophobicContact CE1-CE3 3.59Å; Y242-W595 HydrophobicContact CE1-CG 4.03Å; Y242-W595 HydrophobicContact CE1-CZ3 4.21Å; W595-N637 HydrophobicContact CE3-CB 3.78Å; W595-N637 HydrophobicContact CZ3-CB 4.12Å; W595-K639 HydrophobicContact CH2-CB 4.37Å; W595-K639 VanDerWaalsContact CH2-O 3.3Å; W595-K639 WeakPolarHBondContact CH2-O 3.49Å; W595-K639 HydrophobicContact CZ3-CB 4.3Å; W595-A640 HydrophobicContact CD2-CB 4.23Å; W595-A640 HydrophobicContact CE3-CB 4.17Å; W595-Q643 PolarHBondContact O-NE2 3.25Å
596	Q	96.7	Very high	92.7	Very high	60 Å²	60	18.5 Å²	18.5	28%	0.28	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.6	177.9	-178.5	169.7	-20.7	0	0	109.9	W207 G224 L225	W207-Q596 VanDerWaalsContact CE2-NE2 3.26Å; W207-Q596 VanDerWaalsContact CZ2-NE2 3.34Å; G224-Q596 CarbonylContact C-O 3.59Å; G224-Q596 WeakPolarHBondContact CA-O 3.49Å; L225-Q596 HydrophobicContact CB-CB 3.92Å; L225-Q596 PolarHBondContact N-O 2.64Å; L225-Q596 PolarHBondContact O-N 2.86Å; L225-Q596 VanDerWaalsContact O-N 3.16Å
597	L	97.8	Very high	92.5	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.086	C	C	.	.			trans	-93.8	140.8	-178.8	-56.8	169.7	0	0	0	111.4	F594 M632 L636 T645 Y647 R710	F594-L597 HydrophobicContact CB-CD2 3.71Å; F594-L597 HydrophobicContact CD1-CD2 4.21Å; F594-L597 HydrophobicContact CG-CD2 3.95Å; L597-M632 HydrophobicContact CD1-CB 3.62Å; L597-M632 HydrophobicContact CD1-CG 4.42Å; L597-M632 HydrophobicContact CD2-CB 4.18Å; L597-M632 HydrophobicContact CD2-CE 3.86Å; L597-L636 HydrophobicContact CD1-CD2 3.87Å; L597-L636 HydrophobicContact CD1-CG 4.41Å; L597-L636 HydrophobicContact CD2-CD2 4.04Å; L597-L636 HydrophobicContact CG-CD2 3.77Å; L597-T645 HydrophobicContact CD1-CG2 4.11Å; L597-Y647 WeakPolarHBondContact CB-OH 3.4Å; L597-Y647 HydrophobicContact CD1-CE2 4.2Å; L597-R710 PolarHBondContact O-NH1 2.73Å
598	P	96.7	Very high	92.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.			trans	-74.7	153.9	177.8	30.4	-35.1	0	0	0	111.7	F222 F245 V600 L601 Y647	F222-P598 VanDerWaalsContact C-CB 3.48Å; F222-P598 WeakPolarHBondContact O-CB 3.1Å; F245-P598 HydrophobicContact CE2-CG 4.31Å; F245-P598 HydrophobicContact CZ-CG 4.32Å; P598-V600 WeakPolarHBondContact CB-O 3.31Å; P598-V600 WeakPolarHBondContact CG-O 3.41Å; P598-V600 PolarHBondContact O-N 2.68Å; P598-L601 HydrophobicContact CG-CB 4.28Å; P598-L601 HydrophobicContact CG-CD1 4.13Å; P598-Y647 WeakPolarHBondContact O-CE1 3.3Å; P598-Y647 PolarHBondContact O-OH 2.92Å
599	P	95.6	Very high	91.3	Very high	11 Å²	11	20 Å²	20	7%	0.071	10%	0.1	C	C	.	.	S	Bend	trans	-56.4	-34	168.5	-29.9	39.4	0	0	0	114	D220 T221 R710 F713	D220-P599 VanDerWaalsContact O-CD 3.26Å; D220-P599 WeakPolarHBondContact O-CD 2.99Å; D220-P599 WeakPolarHBondContact O-CG 3.35Å; T221-P599 WeakPolarHBondContact O-CD 3.37Å; P599-R710 WeakPolarHBondContact O-CB 3.43Å; P599-R710 PolarHBondContact O-N 2.87Å; P599-F713 HydrophobicContact CB-CD1 3.87Å; P599-F713 HydrophobicContact CB-CE1 3.57Å; P599-F713 HydrophobicContact CB-CZ 4.03Å; P599-F713 HydrophobicContact CG-CD1 4.33Å; P599-F713 HydrophobicContact CG-CE1 3.63Å; P599-F713 HydrophobicContact CG-CE2 4.22Å; P599-F713 HydrophobicContact CG-CZ 3.57Å
600	V	97.4	Very high	89.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.7	174.1	-177.9	0	0	0	0	109.3	T93 Q95 T221 F222 P598 Y650 Y708	T93-V600 HydrophobicContact CG2-CG2 3.87Å; Q95-V600 VanDerWaalsContact NE2-CG2 3.33Å; T221-V600 HydrophobicContact CG2-CB 4.14Å; T221-V600 HydrophobicContact CG2-CG2 3.67Å; T221-V600 WeakPolarHBondContact O-CB 3.39Å; T221-V600 PolarHBondContact O-N 2.79Å; F222-V600 HydrophobicContact CD1-CB 3.73Å; F222-V600 HydrophobicContact CD1-CG1 3.69Å; F222-V600 HydrophobicContact CE1-CB 3.83Å; F222-V600 HydrophobicContact CE1-CG1 3.49Å; F222-V600 VanDerWaalsContact CE1-CG1 3.49Å; F222-V600 HydrophobicContact CE1-CG2 4.44Å; P598-V600 WeakPolarHBondContact CB-O 3.31Å; P598-V600 WeakPolarHBondContact CG-O 3.41Å; P598-V600 PolarHBondContact O-N 2.68Å; V600-Y650 HydrophobicContact CG1-CE1 3.99Å; V600-Y650 WeakPolarHBondContact CG1-OH 3.17Å; V600-Y708 CarbonylContact C-O 3.57Å; V600-Y708 VanDerWaalsContact CA-O 3.31Å; V600-Y708 WeakPolarHBondContact CA-O 3.22Å
601	L	98.1	Very high	87.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.4	178	179	68.7	0	0	0	109.3	F245 V248 P598 I603 F630 M632 Y647 Y708	F245-L601 HydrophobicContact CE2-CD1 4.01Å; V248-L601 HydrophobicContact CG2-CD1 3.71Å; P598-L601 HydrophobicContact CG-CB 4.28Å; P598-L601 HydrophobicContact CG-CD1 4.13Å; L601-I603 HydrophobicContact CD2-CD1 3.91Å; L601-I603 HydrophobicContact CD2-CG1 4.09Å; L601-I603 HydrophobicContact CG-CD1 4.35Å; L601-I603 HydrophobicContact CG-CG1 3.98Å; L601-F630 HydrophobicContact CD2-CE1 4.02Å; L601-M632 HydrophobicContact CD2-CE 3.94Å; L601-M632 HydrophobicContact CD2-CG 4.01Å; L601-M632 HydrophobicContact CD2-SD 3.73Å; L601-Y647 HydrophobicContact CB-CD1 4.03Å; L601-Y647 HydrophobicContact CB-CE1 3.76Å; L601-Y708 PolarHBondContact N-O 2.96Å; L601-Y708 PolarHBondContact O-N 3.17Å
602	I	98.4	Very high	86	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.6	174	-51.7	176.3	0	0	0	108.5	L167 L171 F222 F247 V248 F705 F707	L167-I602 HydrophobicContact CD2-CG2 4.45Å; L171-I602 HydrophobicContact CD1-CD1 4.15Å; F222-I602 HydrophobicContact CD1-CD1 3.6Å; F222-I602 HydrophobicContact CD1-CG1 4Å; F222-I602 HydrophobicContact CE1-CD1 3.87Å; F222-I602 HydrophobicContact CE1-CG1 4.34Å; F222-I602 HydrophobicContact CG-CD1 4.45Å; F247-I602 HydrophobicContact CD1-CB 3.91Å; F247-I602 HydrophobicContact CD1-CD1 4.22Å; F247-I602 HydrophobicContact CD1-CG2 3.71Å; F247-I602 HydrophobicContact CE1-CB 4.37Å; F247-I602 HydrophobicContact CE1-CD1 3.85Å; F247-I602 HydrophobicContact CE1-CG2 4.08Å; V248-I602 PolarHBondContact N-O 2.8Å; I602-F705 HydrophobicContact CG2-CD1 3.96Å; I602-F705 HydrophobicContact CG2-CE1 4.44Å; I602-F707 HydrophobicContact CD1-CD1 4.08Å; I602-F707 HydrophobicContact CD1-CE1 3.69Å; I602-F707 HydrophobicContact CG1-CD1 3.78Å; I602-F707 HydrophobicContact CG1-CE1 3.87Å; I602-F707 HydrophobicContact CG2-CD1 4.37Å; I602-F707 HydrophobicContact CG2-CE1 4.1Å; I602-F707 HydrophobicContact CG2-CZ 4.23Å
603	I	97.6	Very high	84.1	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.2	176	-59	179.3	0	0	0	108.6	V248 V250 L558 M562 L601 F630 F705 L706 Y708	V248-I603 HydrophobicContact CB-CG1 4.39Å; V248-I603 WeakPolarHBondContact O-CA 3.02Å; V250-I603 HydrophobicContact CG2-CG2 3.81Å; L558-I603 HydrophobicContact CD1-CD1 4.3Å; L558-I603 HydrophobicContact CD1-CG2 3.82Å; L558-I603 HydrophobicContact CD2-CD1 3.9Å; M562-I603 HydrophobicContact SD-CD1 4.33Å; L601-I603 HydrophobicContact CD2-CD1 3.91Å; L601-I603 HydrophobicContact CD2-CG1 4.09Å; L601-I603 HydrophobicContact CG-CD1 4.35Å; L601-I603 HydrophobicContact CG-CG1 3.98Å; I603-F630 HydrophobicContact CD1-CE1 3.7Å; I603-F630 HydrophobicContact CD1-CZ 4.15Å; I603-F705 WeakPolarHBondContact O-CA 3.44Å; I603-L706 HydrophobicContact CB-CB 4.32Å; I603-L706 PolarHBondContact N-O 3.35Å; I603-L706 PolarHBondContact O-N 3.27Å; I603-Y708 HydrophobicContact CD1-CD2 3.97Å; I603-Y708 HydrophobicContact CD1-CE2 3.99Å; I603-Y708 HydrophobicContact CG1-CD2 4.39Å
604	Q	94.1	Very high	82.1	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.3	174.3	-178.6	-164	7.9	0	0	109.1	V248 S249 V250 Y704 F705	V248-Q604 PolarHBondContact O-N 2.79Å; S249-Q604 CarbonylContact C-O 3.59Å; S249-Q604 WeakPolarHBondContact CA-O 3.1Å; S249-Q604 PolarHBondContact OG-OE1 3.06Å; V250-Q604 WeakPolarHBondContact CG2-O 3.32Å; V250-Q604 PolarHBondContact N-O 3.36Å; Q604-Y704 HydrophobicContact CG-CE1 4.33Å; Q604-Y704 HydrophobicContact CG-CE2 4.13Å; Q604-Y704 PolarHBondContact NE2-OH 2.96Å; Q604-F705 HydrophobicContact CB-CD1 3.9Å; Q604-F705 HydrophobicContact CB-CE1 3.61Å; Q604-F705 HydrophobicContact CG-CD1 4.18Å; Q604-F705 HydrophobicContact CG-CE1 3.65Å; Q604-F705 HydrophobicContact CG-CZ 4.16Å
605	I	91.4	Very high	80	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.7	170	-60.1	175.8	0	0	0	107.5	V250 L252 M561 R607 V623 Y704 L706	V250-I605 HydrophobicContact CG2-CG1 4.42Å; L252-I605 HydrophobicContact CD1-CG2 3.65Å; L252-I605 HydrophobicContact CG-CG2 4.06Å; M561-I605 HydrophobicContact CE-CG2 4.01Å; I605-R607 HydrophobicContact CB-CG 4.3Å; I605-R607 HydrophobicContact CG2-CG 3.68Å; I605-R607 PolarHBondContact O-N 3.1Å; I605-V623 HydrophobicContact CD1-CB 4.07Å; I605-V623 HydrophobicContact CD1-CG1 4.05Å; I605-V623 HydrophobicContact CD1-CG2 4.4Å; I605-V623 HydrophobicContact CG2-CG2 4.44Å; I605-Y704 PolarHBondContact N-O 3.35Å; I605-Y704 WeakPolarHBondContact O-CD2 3.48Å; I605-Y704 VanDerWaalsContact O-CE2 3.25Å; I605-Y704 WeakPolarHBondContact O-CE2 3.27Å; I605-L706 HydrophobicContact CD1-CD1 4.33Å
606	K	86	Confident	78.5	Confident	102 Å²	102	56.6 Å²	56.6	44%	0.443	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	71.8	-179.8	-67.3	-173.8	174.9	179.3	0	112.4	S249 V250 L252 F608	S249-K606 WeakPolarHBondContact O-CE 3.49Å; V250-K606 PolarHBondContact O-N 2.78Å; L252-K606 WeakPolarHBondContact CD1-O 3.49Å; K606-F608 VanDerWaalsContact C-N 3.34Å; K606-F608 PolarHBondContact O-N 3.23Å
607	R	80.5	Confident	77.3	Confident	2 Å²	2	60 Å²	60	1%	0.008	29%	0.286	C	S	.	.			trans	-75.1	-17.6	-178.4	-67.7	-167.4	178.2	-81.6	2.4	114.4	L252 I605 K618 I619 T621 P701 V703 Y704	L252-R607 HydrophobicContact CD1-CG 4.05Å; I605-R607 HydrophobicContact CB-CG 4.3Å; I605-R607 HydrophobicContact CG2-CG 3.68Å; I605-R607 PolarHBondContact O-N 3.1Å; R607-K618 CarbonylContact O-C 3.49Å; R607-K618 WeakPolarHBondContact O-CA 3.39Å; R607-I619 PolarHBondContact NH1-O 2.71Å; R607-I619 PolarHBondContact O-N 3.39Å; R607-T621 PolarHBondContact NH1-O 3.07Å; R607-P701 PolarHBondContact NE-O 2.94Å; R607-P701 PolarHBondContact NH1-O 3.15Å; R607-P701 PolarHBondContact NH2-O 3.25Å; R607-V703 PolarHBondContact NE-O 3.35Å; R607-V703 PolarHBondContact NH2-O 3.38Å; R607-Y704 HydrophobicContact CB-CD2 4.26Å; R607-Y704 HydrophobicContact CG-CD2 4.39Å
608	F	73	Confident	76.4	Confident	57 Å²	57	60.6 Å²	60.6	25%	0.25	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.9	179.8	-59.8	-74.4	0	0	0	109.7	K606 K618 H655 Y704	K606-F608 VanDerWaalsContact C-N 3.34Å; K606-F608 PolarHBondContact O-N 3.23Å; F608-K618 HydrophobicContact CD1-CB 4.3Å; F608-K618 HydrophobicContact CD1-CG 4.42Å; F608-K618 HydrophobicContact CE1-CB 4.15Å; F608-K618 HydrophobicContact CE1-CD 4.37Å; F608-K618 HydrophobicContact CE1-CG 4.02Å; F608-H655 AromaticContact CZ-ND1 3.76Å; F608-Y704 HydrophobicContact CD2-CD2 4.41Å; F608-Y704 AromaticContact CD2-CE2 3.77Å; F608-Y704 HydrophobicContact CD2-CE2 3.77Å; F608-Y704 HydrophobicContact CE2-CD2 4.11Å; F608-Y704 AromaticContact CE2-CE2 3.82Å; F608-Y704 HydrophobicContact CE2-CE2 3.82Å
609	S	64.4	Low	75.5	Confident	31 Å²	31	62.6 Å²	62.6	22%	0.217	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.9	179.4	-169.4	0	0	0	0	110.9	T611 K617	S609-T611 PolarHBondContact O-N 2.61Å; S609-K617 PolarHBondContact N-O 3.35Å; S609-K617 PolarHBondContact O-N 3.5Å
610	Y	54.6	Low	74.6	Confident	153 Å²	153	68.1 Å²	68.1	60%	0.6	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.4	168.1	-65.6	-89.5	0	0	0	108.4	K616	Y610-K616 HydrophobicContact CD1-CG 3.75Å; Y610-K616 HydrophobicContact CE1-CD 3.99Å; Y610-K616 HydrophobicContact CE1-CG 3.57Å; Y610-K616 WeakPolarHBondContact OH-CE 3.48Å; Y610-K616 PolarHBondContact OH-NZ 2.94Å
611	T	49.3	Very low	73.9	Confident	89 Å²	89	70.9 Å²	70.9	55%	0.546	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-27.9	174.1	-51.5	0	0	0	0	110.7	S609 L615	S609-T611 PolarHBondContact O-N 2.61Å; T611-L615 PolarHBondContact N-O 2.82Å
612	S	48.8	Very low	73.3	Confident	76 Å²	76	73.8 Å²	73.8	53%	0.531	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	168.7	173.7	-63.4	0	0	0	0	108.8	F614 L615	S612-F614 PolarHBondContact O-N 3.28Å; S612-L615 PolarHBondContact O-N 3.18Å
613	F	56	Low	72.9	Confident	175 Å²	175	73.8 Å²	73.8	77%	0.768	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-31.8	-176.7	-130.2	-88.4	0	0	0	114
614	F	51.5	Low	72.6	Confident	202 Å²	202	78 Å²	78	89%	0.886	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-10.2	-178.9	-60.9	-73.7	0	0	0	115.3	S612	S612-F614 PolarHBondContact O-N 3.28Å
615	L	54.1	Low	72.7	Confident	112 Å²	112	77.7 Å²	77.7	59%	0.586	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	105.4	-171	-153	85	0	0	0	111.9	T611 S612	T611-L615 PolarHBondContact N-O 2.82Å; S612-L615 PolarHBondContact O-N 3.18Å
616	K	65.9	Low	73	Confident	106 Å²	106	79.3 Å²	79.3	46%	0.461	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.4	165	-68	178.4	175.9	-177.4	0	109.2	Y610 C659	Y610-K616 HydrophobicContact CD1-CG 3.75Å; Y610-K616 HydrophobicContact CE1-CD 3.99Å; Y610-K616 HydrophobicContact CE1-CG 3.57Å; Y610-K616 WeakPolarHBondContact OH-CE 3.48Å; Y610-K616 PolarHBondContact OH-NZ 2.94Å; K616-C659 VanDerWaalsContact C-SG 3.54Å; K616-C659 HydrophobicContact CB-CB 3.68Å; K616-C659 HydrophobicContact CD-CB 4.49Å; K616-C659 PolarHBondContact O-SG 3.05Å
617	K	72.4	Confident	73.4	Confident	132 Å²	132	76.8 Å²	76.8	57%	0.574	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.3	172.1	-176.5	179.2	177.9	-176.2	0	109.6	S609	S609-K617 PolarHBondContact N-O 3.35Å; S609-K617 PolarHBondContact O-N 3.5Å
618	K	79.6	Confident	74.1	Confident	15 Å²	15	80.9 Å²	80.9	7%	0.065	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.2	167.8	-174	-172.7	176.4	-163.9	0	108.4	R607 F608 H655 G657 C659 N702	R607-K618 CarbonylContact O-C 3.49Å; R607-K618 WeakPolarHBondContact O-CA 3.39Å; F608-K618 HydrophobicContact CD1-CB 4.3Å; F608-K618 HydrophobicContact CD1-CG 4.42Å; F608-K618 HydrophobicContact CE1-CB 4.15Å; F608-K618 HydrophobicContact CE1-CD 4.37Å; F608-K618 HydrophobicContact CE1-CG 4.02Å; K618-H655 WeakPolarHBondContact CE-O 3.4Å; K618-H655 PolarHBondContact NZ-O 2.99Å; K618-G657 WeakPolarHBondContact CD-O 3.5Å; K618-G657 PolarHBondContact NZ-O 2.9Å; K618-C659 PolarHBondContact N-SG 3.38Å; K618-N702 PolarHBondContact NZ-OD1 2.95Å
619	I	75.9	Confident	75.1	Confident	41 Å²	41	82.7 Å²	82.7	21%	0.21	41%	0.405	C	S	.	.			trans	-89.9	112.2	176.3	-56.8	169.5	0	0	0	107.9	L252 R607	L252-I619 HydrophobicContact CB-CD1 4.41Å; L252-I619 HydrophobicContact CD1-CB 4.08Å; L252-I619 HydrophobicContact CD1-CD1 4.11Å; L252-I619 HydrophobicContact CD1-CG2 4.05Å; L252-I619 HydrophobicContact CD2-CG2 3.85Å; L252-I619 HydrophobicContact CG-CG2 4.39Å; R607-I619 PolarHBondContact NH1-O 2.71Å; R607-I619 PolarHBondContact O-N 3.39Å
620	E	78.7	Confident	76.7	Confident	127 Å²	127	81.4 Å²	81.4	59%	0.593	40%	0.395	S	S	*	.			trans	-94.3	7.6	-177.4	-61	-175.5	162.6	0	0	113.1	P622 P701	E620-P622 VanDerWaalsContact O-CD 3.3Å; E620-P622 WeakPolarHBondContact O-CD 3.48Å; E620-P701 VanDerWaalsContact O-CB 3.31Å; E620-P701 WeakPolarHBondContact O-CB 3.15Å
621	T	81.5	Confident	78.7	Confident	58 Å²	58	76.7 Å²	76.7	36%	0.356	38%	0.381	S	S	.	.			trans	-55.7	121.1	175.5	-53.7	0	0	0	0	109.6	L252 V556 R607	L252-T621 HydrophobicContact CD2-CG2 4.49Å; V556-T621 HydrophobicContact CB-CG2 4.39Å; V556-T621 HydrophobicContact CG2-CG2 3.79Å; R607-T621 PolarHBondContact NH1-O 3.07Å
622	P	85.7	Confident	81	Confident	61 Å²	61	72.5 Å²	72.5	40%	0.396	36%	0.355	S	S	.	.			trans	-58.7	137.9	174.2	-23.3	33.8	0	0	0	110.5	E620 P701	E620-P622 VanDerWaalsContact O-CD 3.3Å; E620-P622 WeakPolarHBondContact O-CD 3.48Å; P622-P701 HydrophobicContact CG-CB 4.27Å
623	V	89.3	Confident	83.3	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.8	176.9	176	0	0	0	0	107.7	L252 V556 L558 M561 I605 Y625	L252-V623 HydrophobicContact CD2-CG2 3.79Å; V556-V623 HydrophobicContact CB-CG2 4.38Å; V556-V623 HydrophobicContact CG1-CG2 4.03Å; V556-V623 CarbonylContact O-C 3.46Å; V556-V623 VanDerWaalsContact O-CA 3.28Å; V556-V623 WeakPolarHBondContact O-CA 3.19Å; L558-V623 HydrophobicContact CB-CG1 4.47Å; M561-V623 HydrophobicContact SD-CB 4.43Å; M561-V623 HydrophobicContact SD-CG1 3.52Å; M561-V623 VanDerWaalsContact SD-CG1 3.52Å; M561-V623 HydrophobicContact SD-CG2 3.97Å; I605-V623 HydrophobicContact CD1-CB 4.07Å; I605-V623 HydrophobicContact CD1-CG1 4.05Å; I605-V623 HydrophobicContact CD1-CG2 4.4Å; I605-V623 HydrophobicContact CG2-CG2 4.44Å; V623-Y625 WeakPolarHBondContact O-CD1 3.18Å; V623-Y625 WeakPolarHBondContact O-CE1 3.47Å
624	R	93	Very high	85.1	Confident	90 Å²	90	71.6 Å²	71.6	34%	0.34	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.8	173.2	-87.5	179	173.8	-124.5	-21.2	111.7	V556 N557 L558 D698 D699	V556-R624 PolarHBondContact O-N 3.27Å; N557-R624 CarbonylContact C-O 3.52Å; N557-R624 VanDerWaalsContact CA-O 3.26Å; N557-R624 WeakPolarHBondContact CA-O 3.3Å; N557-R624 HydrophobicContact CB-CB 3.76Å; L558-R624 PolarHBondContact N-O 3.45Å; R624-D698 CarbonylContact C-O 3.45Å; R624-D698 WeakPolarHBondContact CA-O 3.28Å; R624-D699 HydrophobicContact CG-CB 3.66Å; R624-D699 IonicContact CZ-OD2 3.86Å; R624-D699 IonicContact NE-OD2 2.69Å; R624-D699 PolarHBondContact NE-OD2 3.37Å; R624-D699 IonicContact NH2-OD2 2.61Å; R624-D699 PolarHBondContact NH2-OD2 3.31Å
625	Y	95.6	Very high	87.2	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.012	31%	0.309	C	S	.	.			trans	-128.1	133.6	178.8	45.5	-95.3	0	0	0	111.4	V623 L627 L649 M652 E697 D698 D700 V703 L706	V623-Y625 WeakPolarHBondContact O-CD1 3.18Å; V623-Y625 WeakPolarHBondContact O-CE1 3.47Å; Y625-L627 HydrophobicContact CD2-CD2 4.04Å; Y625-L627 HydrophobicContact CE2-CD2 3.89Å; Y625-L627 PolarHBondContact O-N 3.38Å; Y625-L649 HydrophobicContact CD2-CD2 3.98Å; Y625-L649 HydrophobicContact CE2-CD2 4.07Å; Y625-M652 HydrophobicContact CE2-CE 4.37Å; Y625-M652 HydrophobicContact CE2-SD 4.18Å; Y625-E697 WeakPolarHBondContact CE2-O 3.45Å; Y625-E697 PolarHBondContact OH-O 2.96Å; Y625-D698 PolarHBondContact N-O 2.93Å; Y625-D700 PolarHBondContact OH-N 3.22Å; Y625-V703 HydrophobicContact CE1-CB 4.05Å; Y625-V703 HydrophobicContact CE1-CG1 4.12Å; Y625-V703 HydrophobicContact CE1-CG2 4.18Å; Y625-L706 HydrophobicContact CD1-CD1 4.2Å; Y625-L706 HydrophobicContact CD1-CD2 4.14Å; Y625-L706 HydrophobicContact CD2-CD2 3.65Å; Y625-L706 HydrophobicContact CE1-CD2 4.47Å; Y625-L706 HydrophobicContact CE2-CD2 4.02Å; Y625-L706 HydrophobicContact CG-CD1 3.88Å; Y625-L706 HydrophobicContact CG-CD2 3.74Å; Y625-L706 HydrophobicContact CG-CG 4.49Å
626	P	96.5	Very high	89.2	Confident	33 Å²	33	58.1 Å²	58.1	21%	0.214	29%	0.288	C	S	.	.			trans	-67.4	129.5	-178.5	-21.9	35.1	0	0	0	111.6	I559 F630 Y708	I559-P626 HydrophobicContact CD1-CG 4.11Å; I559-P626 HydrophobicContact CG1-CG 4.25Å; P626-F630 HydrophobicContact CB-CB 4.12Å; P626-F630 HydrophobicContact CB-CD2 4.44Å; P626-F630 HydrophobicContact CG-CB 4.47Å; P626-F630 HydrophobicContact CG-CD2 3.88Å; P626-Y708 WeakPolarHBondContact O-CE1 3.45Å; P626-Y708 PolarHBondContact O-OH 3.23Å
627	L	95.8	Very high	90.6	Very high	49 Å²	49	54 Å²	54	26%	0.257	27%	0.271	S	S	.	.	S	Bend	trans	-77.4	-30.3	177.6	-54.8	179.4	0	0	0	112.4	Y625 L649 I696 D698	Y625-L627 HydrophobicContact CD2-CD2 4.04Å; Y625-L627 HydrophobicContact CE2-CD2 3.89Å; Y625-L627 PolarHBondContact O-N 3.38Å; L627-L649 HydrophobicContact CD2-CD2 3.83Å; L627-L649 WeakPolarHBondContact O-CB 3.28Å; L627-L649 PolarHBondContact O-N 2.81Å; L627-I696 HydrophobicContact CB-CD1 4.34Å; L627-I696 HydrophobicContact CD1-CD1 3.93Å; L627-I696 HydrophobicContact CD1-CG1 3.49Å; L627-I696 VanDerWaalsContact CD1-CG1 3.49Å; L627-I696 HydrophobicContact CD2-CD1 3.64Å; L627-I696 HydrophobicContact CD2-CG1 3.76Å; L627-I696 HydrophobicContact CG-CD1 4.16Å; L627-I696 HydrophobicContact CG-CG1 4.17Å; L627-D698 HydrophobicContact CD1-CB 4.25Å; L627-D698 HydrophobicContact CD2-CB 4.08Å; L627-D698 HydrophobicContact CG-CB 4.02Å
628	K	94.2	Very high	91.5	Very high	88 Å²	88	54 Å²	54	38%	0.383	28%	0.284	S	S	.	.	S	Bend	trans	-140.6	153.5	-176.6	-70.8	-64.6	-166.2	175.7	0	110.1	F630 D648 S676	K628-F630 PolarHBondContact O-N 3.4Å; K628-D648 WeakPolarHBondContact CA-OD1 3.36Å; K628-D648 HydrophobicContact CD-CB 3.72Å; K628-D648 VanDerWaalsContact CD-OD1 3.26Å; K628-D648 WeakPolarHBondContact CD-OD1 2.95Å; K628-D648 WeakPolarHBondContact CD-OD2 2.96Å; K628-D648 IonicContact NZ-OD2 3.31Å; K628-D648 PolarHBondContact NZ-OD2 2.86Å; K628-S676 PolarHBondContact NZ-O 2.85Å
629	N	94.9	Very high	92.1	Very high	96 Å²	96	59.9 Å²	59.9	51%	0.513	31%	0.31	S	S	.	.			trans	54.8	34.9	175.8	-59.1	-62.4	0	0	0	114.3	D631 Y647 D648 Q711	N629-D631 PolarHBondContact O-N 3.1Å; N629-D631 VanDerWaalsContact O-N 3.11Å; N629-Y647 CarbonylContact C-O 3.33Å; N629-Y647 PolarHBondContact N-O 2.91Å; N629-Y647 VanDerWaalsContact N-O 3.13Å; N629-D648 PolarHBondContact N-OD1 2.91Å; N629-Q711 PolarHBondContact OD1-NE2 3.06Å
630	F	97.3	Very high	93	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	110	171.4	177.2	-127.4	0	0	0	109.1	L558 I559 M562 L601 I603 P626 K628 M632 Y635 K646 Y647 Y708	L558-F630 HydrophobicContact CD2-CE2 4.39Å; L558-F630 HydrophobicContact CD2-CZ 4.26Å; L558-F630 HydrophobicContact CG-CE2 4.5Å; L558-F630 HydrophobicContact CG-CZ 4.45Å; I559-F630 HydrophobicContact CG1-CE2 4.41Å; M562-F630 HydrophobicContact CG-CZ 4.07Å; L601-F630 HydrophobicContact CD2-CE1 4.02Å; I603-F630 HydrophobicContact CD1-CE1 3.7Å; I603-F630 HydrophobicContact CD1-CZ 4.15Å; P626-F630 HydrophobicContact CB-CB 4.12Å; P626-F630 HydrophobicContact CB-CD2 4.44Å; P626-F630 HydrophobicContact CG-CB 4.47Å; P626-F630 HydrophobicContact CG-CD2 3.88Å; K628-F630 PolarHBondContact O-N 3.4Å; F630-M632 HydrophobicContact CD1-CG 4.4Å; F630-M632 HydrophobicContact CD1-SD 4.32Å; F630-M632 HydrophobicContact CE1-CG 3.96Å; F630-M632 HydrophobicContact CE1-SD 3.35Å; F630-M632 WeakPolarHBondContact CE1-SD 3.21Å; F630-M632 HydrophobicContact CZ-CG 4.49Å; F630-M632 HydrophobicContact CZ-SD 3.55Å; F630-M632 VanDerWaalsContact CZ-SD 3.55Å; F630-Y635 HydrophobicContact CE2-CE2 4.34Å; F630-Y635 HydrophobicContact CZ-CE2 4.26Å; F630-K646 CarbonylContact O-C 3.49Å; F630-K646 WeakPolarHBondContact O-CA 3.45Å; F630-Y647 PolarHBondContact N-O 2.75Å; F630-Y647 PolarHBondContact O-N 2.92Å; F630-Y708 HydrophobicContact CB-CD1 4.16Å; F630-Y708 HydrophobicContact CB-CE1 3.78Å; F630-Y708 HydrophobicContact CD1-CD1 4.1Å; F630-Y708 HydrophobicContact CD1-CD2 4.35Å; F630-Y708 HydrophobicContact CD1-CE1 4.06Å; F630-Y708 HydrophobicContact CD1-CE2 4.29Å; F630-Y708 HydrophobicContact CD1-CG 4.26Å; F630-Y708 HydrophobicContact CG-CE1 4.15Å
631	D	97.3	Very high	93.7	Very high	55 Å²	55	55.9 Å²	55.9	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.5	-174.5	-166	-3.4	0	0	0	111.2	N629 K633 P634 T645 K646	N629-D631 PolarHBondContact O-N 3.1Å; N629-D631 VanDerWaalsContact O-N 3.11Å; D631-K633 VanDerWaalsContact C-N 3.34Å; D631-K633 WeakPolarHBondContact OD1-CB 3.26Å; D631-K633 PolarHBondContact OD1-N 2.96Å; D631-P634 WeakPolarHBondContact O-CD 3.43Å; D631-T645 VanDerWaalsContact OD1-CB 3.26Å; D631-T645 WeakPolarHBondContact OD1-CB 3.34Å; D631-T645 PolarHBondContact OD1-OG1 3.4Å; D631-K646 HydrophobicContact CB-CG 4.4Å
632	M	97.4	Very high	94.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.			trans	-84.6	-5.9	176.9	-71.5	-69.8	-69.4	0	0	113.5	M562 F594 L597 L601 F630 P634 Y635 L636 T645 Y647	M562-M632 HydrophobicContact CE-CE 3.61Å; M562-M632 HydrophobicContact CE-SD 3.82Å; F594-M632 HydrophobicContact CD2-CE 3.74Å; F594-M632 HydrophobicContact CE1-CE 4.38Å; F594-M632 HydrophobicContact CE2-CE 3.61Å; F594-M632 HydrophobicContact CG-CE 4.2Å; F594-M632 HydrophobicContact CZ-CE 3.95Å; L597-M632 HydrophobicContact CD1-CB 3.62Å; L597-M632 HydrophobicContact CD1-CG 4.42Å; L597-M632 HydrophobicContact CD2-CB 4.18Å; L597-M632 HydrophobicContact CD2-CE 3.86Å; L601-M632 HydrophobicContact CD2-CE 3.94Å; L601-M632 HydrophobicContact CD2-CG 4.01Å; L601-M632 HydrophobicContact CD2-SD 3.73Å; F630-M632 HydrophobicContact CD1-CG 4.4Å; F630-M632 HydrophobicContact CD1-SD 4.32Å; F630-M632 HydrophobicContact CE1-CG 3.96Å; F630-M632 HydrophobicContact CE1-SD 3.35Å; F630-M632 WeakPolarHBondContact CE1-SD 3.21Å; F630-M632 HydrophobicContact CZ-CG 4.49Å; F630-M632 HydrophobicContact CZ-SD 3.55Å; F630-M632 VanDerWaalsContact CZ-SD 3.55Å; M632-P634 VanDerWaalsContact C-CD 3.41Å; M632-Y635 HydrophobicContact CB-CD2 4.45Å; M632-Y635 HydrophobicContact CE-CD2 4.17Å; M632-Y635 PolarHBondContact O-N 3.18Å; M632-Y635 HydrophobicContact SD-CD2 3.68Å; M632-Y635 HydrophobicContact SD-CE2 4.11Å; M632-L636 PolarHBondContact O-N 3.48Å; M632-T645 WeakPolarHBondContact CB-O 3.2Å; M632-T645 PolarHBondContact N-O 3.42Å; M632-Y647 HydrophobicContact CB-CE2 4.36Å; M632-Y647 HydrophobicContact CG-CD2 3.9Å; M632-Y647 HydrophobicContact CG-CE2 3.9Å
633	K	96.7	Very high	94.8	Very high	142 Å²	142	62.5 Å²	62.5	62%	0.617	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-52.8	-42	-177.3	-174.3	169.9	-175.6	167.7	0	114.1	D631 Y635 L636 T645	D631-K633 VanDerWaalsContact C-N 3.34Å; D631-K633 WeakPolarHBondContact OD1-CB 3.26Å; D631-K633 PolarHBondContact OD1-N 2.96Å; K633-Y635 PolarHBondContact O-N 2.86Å; K633-Y635 VanDerWaalsContact O-N 3.16Å; K633-L636 PolarHBondContact O-N 2.85Å; K633-T645 HydrophobicContact CB-CG2 3.97Å
634	P	94.4	Very high	95.1	Very high	90 Å²	90	65.6 Å²	65.6	58%	0.584	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.4	-19.1	179.2	-23.1	35.7	0	0	0	114.5	D631 M632	D631-P634 WeakPolarHBondContact O-CD 3.43Å; M632-P634 VanDerWaalsContact C-CD 3.41Å
635	Y	95.2	Very high	95.2	Very high	7 Å²	7	62 Å²	62	3%	0.027	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-100.7	-4.5	-176.5	-43	-56.9	0	0	0	112.8	I559 M562 R563 T566 F594 F630 M632 K633	I559-Y635 WeakPolarHBondContact CA-OH 3.28Å; I559-Y635 WeakPolarHBondContact CG2-OH 3.23Å; I559-Y635 PolarHBondContact O-OH 2.84Å; M562-Y635 HydrophobicContact CB-CD1 4.11Å; M562-Y635 HydrophobicContact CB-CD2 4.18Å; M562-Y635 HydrophobicContact CB-CE1 3.61Å; M562-Y635 HydrophobicContact CB-CE2 3.71Å; M562-Y635 HydrophobicContact CB-CG 4.38Å; M562-Y635 VanDerWaalsContact CB-CZ 3.4Å; M562-Y635 HydrophobicContact CE-CD2 4.03Å; M562-Y635 HydrophobicContact CE-CE2 4.44Å; M562-Y635 HydrophobicContact CE-CG 4.35Å; M562-Y635 HydrophobicContact CG-CE2 4.35Å; R563-Y635 HydrophobicContact CB-CE1 4.41Å; R563-Y635 HydrophobicContact CG-CE1 3.71Å; T566-Y635 HydrophobicContact CG2-CD1 4.44Å; F594-Y635 WeakPolarHBondContact CD2-O 3.28Å; F594-Y635 PolarHBondContact N-O 2.79Å; F630-Y635 HydrophobicContact CE2-CE2 4.34Å; F630-Y635 HydrophobicContact CZ-CE2 4.26Å; M632-Y635 HydrophobicContact CB-CD2 4.45Å; M632-Y635 HydrophobicContact CE-CD2 4.17Å; M632-Y635 PolarHBondContact O-N 3.18Å; M632-Y635 HydrophobicContact SD-CD2 3.68Å; M632-Y635 HydrophobicContact SD-CE2 4.11Å; K633-Y635 PolarHBondContact O-N 2.86Å; K633-Y635 VanDerWaalsContact O-N 3.16Å
636	L	96.5	Very high	95.3	Very high	25 Å²	25	66.2 Å²	66.2	13%	0.131	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-70.5	149.1	174.2	-73.1	-178.4	0	0	0	110.6	F594 L597 M632 K633 Q643 T645	F594-L636 HydrophobicContact CB-CD2 3.85Å; F594-L636 CarbonylContact O-C 3.55Å; F594-L636 VanDerWaalsContact O-CA 3.26Å; F594-L636 WeakPolarHBondContact O-CA 3.44Å; F594-L636 WeakPolarHBondContact O-CD2 3.32Å; L597-L636 HydrophobicContact CD1-CD2 3.87Å; L597-L636 HydrophobicContact CD1-CG 4.41Å; L597-L636 HydrophobicContact CD2-CD2 4.04Å; L597-L636 HydrophobicContact CG-CD2 3.77Å; M632-L636 PolarHBondContact O-N 3.48Å; K633-L636 PolarHBondContact O-N 2.85Å; L636-Q643 HydrophobicContact CD1-CG 4.09Å; L636-T645 HydrophobicContact CD1-CG2 3.54Å; L636-T645 HydrophobicContact CG-CG2 4.44Å
637	N	94.4	Very high	95.3	Very high	20 Å²	20	64.6 Å²	64.6	11%	0.107	33%	0.333	C	S	.	.			trans	-56.5	132.1	163.8	-166.1	-71.8	0	0	0	108.8	N593 F594 W595 K639 A640	N593-N637 WeakPolarHBondContact OD1-CB 3.17Å; N593-N637 PolarHBondContact OD1-ND2 3.46Å; F594-N637 PolarHBondContact O-N 2.98Å; W595-N637 HydrophobicContact CE3-CB 3.78Å; W595-N637 HydrophobicContact CZ3-CB 4.12Å; N637-K639 PolarHBondContact O-N 3.31Å; N637-K639 WeakPolarHBondContact OD1-CB 3.24Å; N637-K639 PolarHBondContact OD1-N 3.13Å; N637-A640 HydrophobicContact CB-CB 4.1Å; N637-A640 WeakPolarHBondContact O-CB 3.24Å; N637-A640 PolarHBondContact O-N 2.86Å
638	P	91.3	Very high	95.3	Very high	132 Å²	132	62.7 Å²	62.7	86%	0.857	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	179.6	-27.2	35.2	0	0	0	114.6
639	K	92.5	Very high	95.5	Very high	138 Å²	138	58.6 Å²	58.6	60%	0.6	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	1.7	177.2	-65.4	174.1	172.8	-176.5	0	113.1	I199 W595 N637	I199-K639 HydrophobicContact CD1-CB 3.8Å; I199-K639 HydrophobicContact CD1-CD 3.2Å; I199-K639 HydrophobicContact CD1-CG 4.13Å; I199-K639 HydrophobicContact CG1-CB 4.5Å; I199-K639 HydrophobicContact CG1-CD 3.91Å; W595-K639 HydrophobicContact CH2-CB 4.37Å; W595-K639 VanDerWaalsContact CH2-O 3.3Å; W595-K639 WeakPolarHBondContact CH2-O 3.49Å; W595-K639 HydrophobicContact CZ3-CB 4.3Å; N637-K639 PolarHBondContact O-N 3.31Å; N637-K639 WeakPolarHBondContact OD1-CB 3.24Å; N637-K639 PolarHBondContact OD1-N 3.13Å
640	A	94.9	Very high	95.5	Very high	20 Å²	20	54.1 Å²	54.1	17%	0.165	28%	0.281	C	S	.	.	S	Bend	trans	-63.9	147.6	174.4	0	0	0	0	0	110.5	W595 N637	W595-A640 HydrophobicContact CD2-CB 4.23Å; W595-A640 HydrophobicContact CE3-CB 4.17Å; N637-A640 HydrophobicContact CB-CB 4.1Å; N637-A640 WeakPolarHBondContact O-CB 3.24Å; N637-A640 PolarHBondContact O-N 2.86Å
641	P	94	Very high	95.6	Very high	64 Å²	64	54 Å²	54	42%	0.416	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.6	151.1	175	-23.7	33.6	0	0	0	112.9	Q643	P641-Q643 PolarHBondContact O-N 3.26Å; P641-Q643 PolarHBondContact O-NE2 3.06Å
642	E	94.8	Very high	95.6	Very high	203 Å²	203	51.4 Å²	51.4	95%	0.949	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-58.4	130.5	170.5	-69.5	-167	164.1	0	0	110.5
643	Q	95	Very high	95.6	Very high	54 Å²	54	51.4 Å²	51.4	25%	0.252	27%	0.266	S	S	.	.			trans	-152.4	166	-178.2	65.5	-165.9	-81.7	0	0	109.8	W595 L636 P641 T645	W595-Q643 PolarHBondContact O-NE2 3.25Å; L636-Q643 HydrophobicContact CD1-CG 4.09Å; P641-Q643 PolarHBondContact O-N 3.26Å; P641-Q643 PolarHBondContact O-NE2 3.06Å; Q643-T645 HydrophobicContact CG-CG2 4.18Å; Q643-T645 PolarHBondContact O-N 3.27Å
644	I	94.8	Very high	95.5	Very high	65 Å²	65	44.8 Å²	44.8	33%	0.333	24%	0.238	S	C	.	.			trans	-72.8	127.4	171.9	-58.3	160.4	0	0	0	108.6	R710 Q711 N712	I644-R710 HydrophobicContact CB-CG 4.17Å; I644-R710 HydrophobicContact CG2-CG 3.82Å; I644-R710 VanDerWaalsContact O-CD 3.26Å; I644-R710 WeakPolarHBondContact O-CD 3.19Å; I644-Q711 WeakPolarHBondContact CG2-O 3.43Å; I644-N712 HydrophobicContact CD1-CB 4Å; I644-N712 WeakPolarHBondContact CD1-O 3.39Å
645	T	96.8	Very high	95.4	Very high	15 Å²	15	40.8 Å²	40.8	9%	0.092	21%	0.212	C	C	.	.			trans	-116.4	-6.3	-173.8	58.7	0	0	0	0	114.2	L597 D631 M632 K633 L636 Q643 Y647	L597-T645 HydrophobicContact CD1-CG2 4.11Å; D631-T645 VanDerWaalsContact OD1-CB 3.26Å; D631-T645 WeakPolarHBondContact OD1-CB 3.34Å; D631-T645 PolarHBondContact OD1-OG1 3.4Å; M632-T645 WeakPolarHBondContact CB-O 3.2Å; M632-T645 PolarHBondContact N-O 3.42Å; K633-T645 HydrophobicContact CB-CG2 3.97Å; L636-T645 HydrophobicContact CD1-CG2 3.54Å; L636-T645 HydrophobicContact CG-CG2 4.44Å; Q643-T645 HydrophobicContact CG-CG2 4.18Å; Q643-T645 PolarHBondContact O-N 3.27Å; T645-Y647 VanDerWaalsContact O-CD2 3.3Å; T645-Y647 WeakPolarHBondContact O-CD2 3.1Å
646	K	96.9	Very high	95.2	Very high	91 Å²	91	43.3 Å²	43.3	40%	0.396	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.9	-177.3	-67.8	-174.3	177.8	-177.3	0	111.7	F630 D631 Q711	F630-K646 CarbonylContact O-C 3.49Å; F630-K646 WeakPolarHBondContact O-CA 3.45Å; D631-K646 HydrophobicContact CB-CG 4.4Å; K646-Q711 HydrophobicContact CB-CB 4.34Å; K646-Q711 HydrophobicContact CB-CG 4.18Å; K646-Q711 PolarHBondContact O-N 3.38Å
647	Y	96.8	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.6	-178.9	-70.5	-102.1	0	0	0	112.1	L597 P598 L601 N629 F630 M632 T645 A709 R710	L597-Y647 WeakPolarHBondContact CB-OH 3.4Å; L597-Y647 HydrophobicContact CD1-CE2 4.2Å; P598-Y647 WeakPolarHBondContact O-CE1 3.3Å; P598-Y647 PolarHBondContact O-OH 2.92Å; L601-Y647 HydrophobicContact CB-CD1 4.03Å; L601-Y647 HydrophobicContact CB-CE1 3.76Å; N629-Y647 CarbonylContact C-O 3.33Å; N629-Y647 PolarHBondContact N-O 2.91Å; N629-Y647 VanDerWaalsContact N-O 3.13Å; F630-Y647 PolarHBondContact N-O 2.75Å; F630-Y647 PolarHBondContact O-N 2.92Å; M632-Y647 HydrophobicContact CB-CE2 4.36Å; M632-Y647 HydrophobicContact CG-CD2 3.9Å; M632-Y647 HydrophobicContact CG-CE2 3.9Å; T645-Y647 VanDerWaalsContact O-CD2 3.3Å; T645-Y647 WeakPolarHBondContact O-CD2 3.1Å; Y647-A709 CarbonylContact C-O 3.56Å; Y647-A709 VanDerWaalsContact CA-O 3.28Å; Y647-A709 WeakPolarHBondContact CA-O 3.33Å; Y647-R710 VanDerWaalsContact CD1-CA 3.5Å; Y647-R710 HydrophobicContact CD1-CB 3.99Å; Y647-R710 VanDerWaalsContact CD1-N 3.26Å; Y647-R710 HydrophobicContact CE1-CB 3.52Å; Y647-R710 HydrophobicContact CE1-CG 4.2Å; Y647-R710 HydrophobicContact CE2-CB 4.49Å; Y647-R710 HydrophobicContact CE2-CG 4.31Å
648	D	95.5	Very high	93.9	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.9	170.4	-72.7	-13.3	0	0	0	109.9	K628 N629 Y708 A709 Q711	K628-D648 WeakPolarHBondContact CA-OD1 3.36Å; K628-D648 HydrophobicContact CD-CB 3.72Å; K628-D648 VanDerWaalsContact CD-OD1 3.26Å; K628-D648 WeakPolarHBondContact CD-OD1 2.95Å; K628-D648 WeakPolarHBondContact CD-OD2 2.96Å; K628-D648 IonicContact NZ-OD2 3.31Å; K628-D648 PolarHBondContact NZ-OD2 2.86Å; N629-D648 PolarHBondContact N-OD1 2.91Å; D648-Y708 CarbonylContact O-C 3.5Å; D648-Y708 WeakPolarHBondContact O-CA 3.32Å; D648-A709 PolarHBondContact N-O 2.96Å; D648-A709 PolarHBondContact O-N 3.28Å; D648-Q711 PolarHBondContact OD1-NE2 2.76Å
649	L	97.4	Very high	92.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.4	173.9	-168.3	69.8	0	0	0	108.4	Y625 L627 M652 W682 L706 F707 Y708	Y625-L649 HydrophobicContact CD2-CD2 3.98Å; Y625-L649 HydrophobicContact CE2-CD2 4.07Å; L627-L649 HydrophobicContact CD2-CD2 3.83Å; L627-L649 WeakPolarHBondContact O-CB 3.28Å; L627-L649 PolarHBondContact O-N 2.81Å; L649-M652 HydrophobicContact CD2-CE 3.45Å; L649-M652 VanDerWaalsContact CD2-CE 3.45Å; L649-M652 HydrophobicContact CD2-SD 4.49Å; L649-M652 HydrophobicContact CG-CE 4.44Å; L649-W682 HydrophobicContact CD2-CH2 4.35Å; L649-W682 HydrophobicContact CG-CH2 4.11Å; L649-W682 VanDerWaalsContact O-CZ2 3.26Å; L649-W682 WeakPolarHBondContact O-CZ2 3.32Å; L649-L706 HydrophobicContact CD1-CB 3.8Å; L649-L706 HydrophobicContact CD1-CD2 3.67Å; L649-L706 HydrophobicContact CD1-CG 4.36Å; L649-L706 HydrophobicContact CD2-CD2 4Å; L649-F707 WeakPolarHBondContact CD1-O 3.49Å; L649-Y708 HydrophobicContact CB-CD1 4.08Å; L649-Y708 HydrophobicContact CB-CE1 3.69Å; L649-Y708 HydrophobicContact CD1-CD1 4.23Å; L649-Y708 HydrophobicContact CD1-CD2 4.05Å; L649-Y708 HydrophobicContact CD1-CE1 3.94Å; L649-Y708 HydrophobicContact CD1-CE2 3.77Å; L649-Y708 HydrophobicContact CD1-CG 4.27Å; L649-Y708 HydrophobicContact CG-CE1 4.4Å
650	Y	96.7	Very high	91.8	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	-18.9	174	77.7	-87.1	0	0	0	113.4	N92 T93 V600 A668 C669 W682 F707 A709	N92-Y650 HydrophobicContact CB-CD2 4.42Å; N92-Y650 HydrophobicContact CB-CE2 4.46Å; N92-Y650 WeakPolarHBondContact O-CE2 3.48Å; T93-Y650 PolarHBondContact OG1-OH 3.49Å; V600-Y650 HydrophobicContact CG1-CE1 3.99Å; V600-Y650 WeakPolarHBondContact CG1-OH 3.17Å; Y650-A668 CarbonylContact O-C 3.54Å; Y650-A668 WeakPolarHBondContact O-CA 3.22Å; Y650-C669 PolarHBondContact O-N 3.2Å; Y650-W682 VanDerWaalsContact C-CH2 3.43Å; Y650-W682 WeakPolarHBondContact O-CZ3 3.3Å; Y650-F707 HydrophobicContact CD1-CB 4.24Å; Y650-F707 WeakPolarHBondContact CD1-O 3.1Å; Y650-F707 HydrophobicContact CE1-CB 3.61Å; Y650-F707 WeakPolarHBondContact CE1-O 3.26Å; Y650-F707 HydrophobicContact CE2-CB 4.32Å; Y650-F707 PolarHBondContact N-O 3.41Å; Y650-A709 HydrophobicContact CD1-CB 3.77Å; Y650-A709 HydrophobicContact CE1-CB 4.15Å
651	A	98.2	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.7	171.1	0	0	0	0	0	111.8	A89 Q667 A668 F707	A89-A651 HydrophobicContact CB-CB 3.83Å; A651-Q667 CarbonylContact C-O 3.53Å; A651-Q667 WeakPolarHBondContact CA-O 3.45Å; A651-A668 HydrophobicContact CB-CB 3.6Å; A651-F707 HydrophobicContact CB-CB 3.96Å; A651-F707 HydrophobicContact CB-CD2 4.19Å; A651-F707 HydrophobicContact CB-CG 4.25Å; A651-F707 PolarHBondContact N-O 2.89Å; A651-F707 WeakPolarHBondContact O-CB 3.13Å; A651-F707 PolarHBondContact O-N 3.15Å
652	M	97.9	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.7	170.5	64.4	-169.1	95	0	0	110.2	Y625 L649 A666 Q667 W682 I696 V703 F705 L706	Y625-M652 HydrophobicContact CE2-CE 4.37Å; Y625-M652 HydrophobicContact CE2-SD 4.18Å; L649-M652 HydrophobicContact CD2-CE 3.45Å; L649-M652 VanDerWaalsContact CD2-CE 3.45Å; L649-M652 HydrophobicContact CD2-SD 4.49Å; L649-M652 HydrophobicContact CG-CE 4.44Å; M652-A666 WeakPolarHBondContact O-CA 3.18Å; M652-Q667 HydrophobicContact CG-CB 3.88Å; M652-Q667 PolarHBondContact N-O 3.24Å; M652-Q667 PolarHBondContact O-N 2.92Å; M652-Q667 PolarHBondContact SD-OE1 2.92Å; M652-W682 HydrophobicContact CE-CH2 4.07Å; M652-W682 HydrophobicContact CE-CZ3 3.87Å; M652-I696 HydrophobicContact CE-CB 4.2Å; M652-I696 HydrophobicContact CE-CD1 4.08Å; M652-I696 HydrophobicContact CE-CG2 4.46Å; M652-V703 HydrophobicContact CB-CG1 4.16Å; M652-V703 HydrophobicContact CB-CG2 4.45Å; M652-V703 HydrophobicContact CG-CG2 4.24Å; M652-V703 HydrophobicContact SD-CG2 3.7Å; M652-F705 CarbonylContact C-O 3.6Å; M652-F705 WeakPolarHBondContact CA-O 3.47Å; M652-F705 WeakPolarHBondContact CB-O 3.47Å; M652-L706 HydrophobicContact CB-CD2 4.1Å
653	V	97.1	Very high	90.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	175.1	174.5	0	0	0	0	108.1	A85 A89 Y664 V665 A666 Y704 F705 F707	A85-V653 HydrophobicContact CB-CG1 3.75Å; A85-V653 HydrophobicContact CB-CG2 4.31Å; A89-V653 HydrophobicContact CB-CG2 4.18Å; V653-Y664 HydrophobicContact CG1-CD1 4.01Å; V653-V665 WeakPolarHBondContact CA-O 3.26Å; V653-A666 HydrophobicContact CG2-CB 4.46Å; V653-Y704 PolarHBondContact O-N 3.37Å; V653-F705 HydrophobicContact CB-CB 4.1Å; V653-F705 HydrophobicContact CB-CD2 4.27Å; V653-F705 HydrophobicContact CG2-CB 4.48Å; V653-F705 PolarHBondContact N-O 3.4Å; V653-F705 PolarHBondContact O-N 3.38Å; V653-F707 HydrophobicContact CG2-CE2 4.11Å
654	S	95.1	Very high	90.2	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145	178.1	-63.2	0	0	0	0	110.5	Y664 V665 D700 N702 V703	S654-Y664 WeakPolarHBondContact O-CA 3.31Å; S654-V665 PolarHBondContact N-O 2.9Å; S654-V665 PolarHBondContact O-N 3.19Å; S654-D700 PolarHBondContact OG-OD2 3.02Å; S654-D700 VanDerWaalsContact OG-OD2 3.06Å; S654-N702 CarbonylContact C-O 2.97Å; S654-N702 VanDerWaalsContact CA-O 3.26Å; S654-N702 WeakPolarHBondContact CA-O 3.35Å; S654-V703 WeakPolarHBondContact OG-CG2 3.37Å
655	H	91.7	Very high	90.2	Very high	5 Å²	5	34 Å²	34	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.8	174.4	176.1	-102	0	0	0	109.9	F608 K618 N658 G662 H663 Y664 N702	F608-H655 AromaticContact CZ-ND1 3.76Å; K618-H655 WeakPolarHBondContact CE-O 3.4Å; K618-H655 PolarHBondContact NZ-O 2.99Å; H655-N658 PolarHBondContact CE1-O 2.84Å; H655-G662 WeakPolarHBondContact NE2-CA 3.29Å; H655-H663 WeakPolarHBondContact CA-O 3.22Å; H655-Y664 HydrophobicContact CB-CD1 3.83Å; H655-Y664 HydrophobicContact CB-CE1 3.64Å; H655-Y664 HydrophobicContact CB-CG 4.48Å; H655-Y664 AromaticContact CD2-CD1 3.92Å; H655-Y664 AromaticContact CD2-CD2 3.53Å; H655-Y664 AromaticContact CD2-CE1 3.66Å; H655-Y664 AromaticContact CD2-CE2 3.23Å; H655-Y664 WeakPolarHBondContact CD2-CE2 3.41Å; H655-Y664 AromaticContact CD2-CG 3.86Å; H655-Y664 AromaticContact CD2-CZ 3.3Å; H655-Y664 AromaticContact CG-CE1 3.85Å; H655-Y664 AromaticContact CG-CZ 3.82Å; H655-Y664 AromaticContact NE2-CE2 3.78Å; H655-N702 PolarHBondContact N-O 2.86Å; H655-N702 WeakPolarHBondContact O-CB 3.48Å; H655-N702 PolarHBondContact O-OD1 2.83Å
656	T	90.1	Very high	90.3	Very high	60 Å²	60	33.3 Å²	33.3	37%	0.368	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148	172.4	57.4	0	0	0	0	109.7	G662 H663 N702	T656-G662 CarbonylContact O-C 3.46Å; T656-G662 VanDerWaalsContact O-C 3.3Å; T656-G662 WeakPolarHBondContact O-CA 3.44Å; T656-H663 PolarHBondContact N-O 2.96Å; T656-H663 PolarHBondContact O-N 3.43Å; T656-H663 PolarHBondContact OG1-O 3.14Å; T656-N702 HydrophobicContact CG2-CB 4.24Å
657	G	85.5	Confident	90.4	Very high	38 Å²	38	30.4 Å²	30.4	39%	0.392	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	102.9	-170.1	-175.9	0	0	0	0	0	114.5	K618 Y661	K618-G657 WeakPolarHBondContact CD-O 3.5Å; K618-G657 PolarHBondContact NZ-O 2.9Å; G657-Y661 CarbonylContact C-O 3.55Å; G657-Y661 WeakPolarHBondContact CA-O 3.31Å
658	N	78.4	Confident	90.4	Very high	81 Å²	81	30.4 Å²	30.4	43%	0.433	17%	0.166	S	C	.	.			trans	-101.8	-172.8	-173.5	68.2	53.9	0	0	0	112.9	H655 N660 Y661	H655-N658 PolarHBondContact CE1-O 2.84Å; N658-N660 VanDerWaalsContact C-N 3.26Å; N658-N660 PolarHBondContact O-N 3.2Å; N658-N660 WeakPolarHBondContact OD1-CA 3.32Å; N658-N660 PolarHBondContact OD1-N 3.23Å; N658-Y661 PolarHBondContact N-O 3.42Å; N658-Y661 PolarHBondContact OD1-N 3.2Å; N658-Y661 PolarHBondContact OD1-O 3.18Å
659	C	69.8	Low	90.4	Very high	34 Å²	34	30 Å²	30	23%	0.23	16%	0.164	C	C	.	.	S	Bend	trans	-70.8	-15.8	-176.8	-59.6	0	0	0	0	115.5	K616 K618	K616-C659 VanDerWaalsContact C-SG 3.54Å; K616-C659 HydrophobicContact CB-CB 3.68Å; K616-C659 HydrophobicContact CD-CB 4.49Å; K616-C659 PolarHBondContact O-SG 3.05Å; K618-C659 PolarHBondContact N-SG 3.38Å
660	N	69.5	Low	90.3	Very high	111 Å²	111	30 Å²	30	59%	0.594	16%	0.164	S	C	*	.	S	Bend	trans	-110.2	-26.9	-176.6	-58.8	-22.2	0	0	0	111.8	N658	N658-N660 VanDerWaalsContact C-N 3.26Å; N658-N660 PolarHBondContact O-N 3.2Å; N658-N660 WeakPolarHBondContact OD1-CA 3.32Å; N658-N660 PolarHBondContact OD1-N 3.23Å
661	Y	75.1	Confident	90.1	Very high	164 Å²	164	30.5 Å²	30.5	64%	0.643	17%	0.167	S	C	*	.	S	Bend	trans	-146.6	137.2	-178.1	-58	-82.3	0	0	0	111.4	Q160 G657 N658	Q160-Y661 VanDerWaalsContact OE1-C 3.22Å; G657-Y661 CarbonylContact C-O 3.55Å; G657-Y661 WeakPolarHBondContact CA-O 3.31Å; N658-Y661 PolarHBondContact N-O 3.42Å; N658-Y661 PolarHBondContact OD1-N 3.2Å; N658-Y661 PolarHBondContact OD1-O 3.18Å
662	G	84	Confident	89.7	Confident	18 Å²	18	31.9 Å²	31.9	19%	0.186	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-171.6	-179.6	0	0	0	0	0	113.5	Q160 H655 T656	Q160-G662 VanDerWaalsContact CD-N 3.27Å; Q160-G662 VanDerWaalsContact NE2-N 3.14Å; Q160-G662 PolarHBondContact NE2-O 3.2Å; Q160-G662 PolarHBondContact OE1-O 2.66Å; H655-G662 WeakPolarHBondContact NE2-CA 3.29Å; T656-G662 CarbonylContact O-C 3.46Å; T656-G662 VanDerWaalsContact O-C 3.3Å; T656-G662 WeakPolarHBondContact O-CA 3.44Å
663	H	92	Very high	89.1	Confident	51 Å²	51	34.1 Å²	34.1	24%	0.236	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.2	-174.7	-174.5	57.6	0	0	0	109.9	H655 T656 N686 D687	H655-H663 WeakPolarHBondContact CA-O 3.22Å; T656-H663 PolarHBondContact N-O 2.96Å; T656-H663 PolarHBondContact O-N 3.43Å; T656-H663 PolarHBondContact OG1-O 3.14Å; H663-N686 PolarHBondContact NE2-OD1 3.18Å; H663-D687 IonicContact CE1-OD2 2.75Å; H663-D687 PolarHBondContact CE1-OD2 3.4Å
664	Y	94	Very high	88.2	Confident	12 Å²	12	39.9 Å²	39.9	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.2	-179.4	-70.7	-93.4	0	0	0	110.6	C81 F82 A163 V653 S654 H655	C81-Y664 WeakPolarHBondContact O-CB 3.41Å; F82-Y664 HydrophobicContact CB-CD2 3.55Å; F82-Y664 HydrophobicContact CB-CE2 3.71Å; F82-Y664 HydrophobicContact CB-CG 4.02Å; A163-Y664 HydrophobicContact CB-CD1 3.94Å; A163-Y664 HydrophobicContact CB-CE1 3.47Å; A163-Y664 VanDerWaalsContact CB-CE1 3.47Å; V653-Y664 HydrophobicContact CG1-CD1 4.01Å; S654-Y664 WeakPolarHBondContact O-CA 3.31Å; H655-Y664 HydrophobicContact CB-CD1 3.83Å; H655-Y664 HydrophobicContact CB-CE1 3.64Å; H655-Y664 HydrophobicContact CB-CG 4.48Å; H655-Y664 AromaticContact CD2-CD1 3.92Å; H655-Y664 AromaticContact CD2-CD2 3.53Å; H655-Y664 AromaticContact CD2-CE1 3.66Å; H655-Y664 AromaticContact CD2-CE2 3.23Å; H655-Y664 WeakPolarHBondContact CD2-CE2 3.41Å; H655-Y664 AromaticContact CD2-CG 3.86Å; H655-Y664 AromaticContact CD2-CZ 3.3Å; H655-Y664 AromaticContact CG-CE1 3.85Å; H655-Y664 AromaticContact CG-CZ 3.82Å; H655-Y664 AromaticContact NE2-CE2 3.78Å
665	V	96.5	Very high	86.6	Confident	17 Å²	17	40.1 Å²	40.1	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.4	174.1	-61.2	0	0	0	0	109.4	V653 S654 N686	V653-V665 WeakPolarHBondContact CA-O 3.26Å; S654-V665 PolarHBondContact N-O 2.9Å; S654-V665 PolarHBondContact O-N 3.19Å; V665-N686 HydrophobicContact CG1-CB 4.08Å
666	A	98.1	Very high	85.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.3	174.8	0	0	0	0	0	111.1	A85 Q88 M652 V653 F685	A85-A666 HydrophobicContact CB-CB 4.13Å; A85-A666 WeakPolarHBondContact O-CB 3.31Å; Q88-A666 HydrophobicContact CB-CB 3.85Å; M652-A666 WeakPolarHBondContact O-CA 3.18Å; V653-A666 HydrophobicContact CG2-CB 4.46Å; A666-F685 HydrophobicContact CB-CB 4.4Å; A666-F685 PolarHBondContact N-O 2.65Å; A666-F685 PolarHBondContact O-N 3.47Å
667	Q	98.3	Very high	85	Confident	31 Å²	31	47.2 Å²	47.2	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.9	162.6	-64.8	173.7	-39.8	0	0	107.4	A651 M652 W682 R683 L693	A651-Q667 CarbonylContact C-O 3.53Å; A651-Q667 WeakPolarHBondContact CA-O 3.45Å; M652-Q667 HydrophobicContact CG-CB 3.88Å; M652-Q667 PolarHBondContact N-O 3.24Å; M652-Q667 PolarHBondContact O-N 2.92Å; M652-Q667 PolarHBondContact SD-OE1 2.92Å; Q667-W682 HydrophobicContact CB-CE3 4.43Å; Q667-W682 HydrophobicContact CB-CZ3 4.47Å; Q667-R683 CarbonylContact C-O 3.46Å; Q667-R683 VanDerWaalsContact CA-O 3.24Å; Q667-R683 WeakPolarHBondContact CA-O 3.26Å; Q667-L693 HydrophobicContact CB-CD1 4.28Å; Q667-L693 HydrophobicContact CG-CD1 3.88Å
668	A	97.9	Very high	85	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.2	180	0	0	0	0	0	112.5	N92 Y650 A651 R683 F685	N92-A668 HydrophobicContact CB-CB 3.94Å; Y650-A668 CarbonylContact O-C 3.54Å; Y650-A668 WeakPolarHBondContact O-CA 3.22Å; A651-A668 HydrophobicContact CB-CB 3.6Å; A668-R683 PolarHBondContact N-O 3.24Å; A668-R683 PolarHBondContact O-N 2.89Å; A668-F685 HydrophobicContact CB-CD2 4.47Å; A668-F685 HydrophobicContact CB-CE2 3.97Å
669	C	95.9	Very high	85.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.1	166.3	72.2	0	0	0	0	108.9	Y650 C678 V680 W682	Y650-C669 PolarHBondContact O-N 3.2Å; C669-C678 VanDerWaalsContact SG-SG 3.61Å; C669-V680 VanDerWaalsContact CB-O 3.32Å; C669-V680 WeakPolarHBondContact CB-O 3.26Å; C669-W682 HydrophobicContact CB-CB 4.49Å; C669-W682 HydrophobicContact CB-CD2 3.77Å; C669-W682 HydrophobicContact CB-CE3 4.27Å; C669-W682 HydrophobicContact CB-CG 3.89Å; C669-W682 VanDerWaalsContact SG-CE2 3.59Å
670	L	94.8	Very high	86.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.3	169.8	-179.1	72.2	0	0	0	108.6	N92 W94 K97 W133 C678 E679 V680	N92-L670 WeakPolarHBondContact O-CD1 3.32Å; W94-L670 HydrophobicContact CB-CD1 3.92Å; K97-L670 HydrophobicContact CD-CD1 4Å; K97-L670 HydrophobicContact CD-CD2 3.81Å; W133-L670 HydrophobicContact CH2-CB 3.84Å; W133-L670 HydrophobicContact CH2-CD1 4.4Å; W133-L670 HydrophobicContact CH2-CD2 3.57Å; W133-L670 HydrophobicContact CH2-CG 4.12Å; W133-L670 HydrophobicContact CZ2-CB 4.41Å; W133-L670 HydrophobicContact CZ2-CD1 4.27Å; W133-L670 HydrophobicContact CZ2-CD2 4.12Å; W133-L670 HydrophobicContact CZ2-CG 4.5Å; W133-L670 HydrophobicContact CZ3-CD2 3.92Å; L670-C678 CarbonylContact O-C 3.56Å; L670-C678 WeakPolarHBondContact O-CA 3.34Å; L670-E679 HydrophobicContact CD2-CB 4.37Å; L670-E679 HydrophobicContact CD2-CG 4.39Å; L670-E679 PolarHBondContact O-N 3.25Å; L670-V680 HydrophobicContact CB-CB 3.87Å; L670-V680 HydrophobicContact CB-CG2 4.16Å; L670-V680 HydrophobicContact CD2-CG2 4.28Å; L670-V680 PolarHBondContact N-O 3Å; L670-V680 PolarHBondContact O-N 3.29Å; L670-V680 VanDerWaalsContact O-N 3.12Å
671	L	92.8	Very high	87.6	Confident	13 Å²	13	44.5 Å²	44.5	7%	0.068	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	144.8	170	-59.4	179.6	0	0	0	110.5	A709	L671-A709 HydrophobicContact CD1-CB 3.54Å
672	S	88.6	Confident	88.7	Confident	30 Å²	30	38.4 Å²	38.4	21%	0.21	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-61.3	144.4	173.3	179.7	0	0	0	0	111	N674 G675 E677	S672-N674 PolarHBondContact O-N 3.02Å; S672-N674 PolarHBondContact OG-N 2.87Å; S672-G675 PolarHBondContact O-N 3.26Å; S672-E677 WeakPolarHBondContact CB-O 3.38Å; S672-E677 PolarHBondContact N-O 3.32Å
673	E	85.4	Confident	89.3	Confident	47 Å²	47	38.6 Å²	38.6	22%	0.22	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-16.9	168	-74.7	-168.8	-163	0	0	113.2	W94 S98 K102 A715	W94-E673 HydrophobicContact CD2-CG 4.45Å; W94-E673 HydrophobicContact CE3-CG 3.85Å; W94-E673 HydrophobicContact CZ3-CG 4.41Å; S98-E673 WeakPolarHBondContact CB-OE1 3.48Å; S98-E673 PolarHBondContact OG-OE1 2.99Å; K102-E673 IonicContact NZ-OE1 3.25Å; K102-E673 IonicContact NZ-OE2 2.67Å; K102-E673 PolarHBondContact NZ-OE2 3.03Å; E673-A715 HydrophobicContact CB-CB 3.65Å; E673-A715 HydrophobicContact CG-CB 3.92Å; E673-A715 PolarHBondContact O-N 3.17Å; E673-A715 WeakPolarHBondContact OE2-CB 3.41Å
674	N	78.6	Confident	89.6	Confident	120 Å²	120	37.9 Å²	37.9	64%	0.642	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	13.2	176.8	-64.3	-12.9	0	0	0	114.2	S672 Y714	S672-N674 PolarHBondContact O-N 3.02Å; S672-N674 PolarHBondContact OG-N 2.87Å; N674-Y714 WeakPolarHBondContact O-CE1 3.38Å
675	G	62	Low	89.8	Confident	9 Å²	9	37.5 Å²	37.5	9%	0.093	21%	0.207	C	C	.	.	S	Bend	trans	82.9	22.8	151.7	0	0	0	0	0	119.6	S672	S672-G675 PolarHBondContact O-N 3.26Å
676	S	66.3	Low	89.8	Confident	59 Å²	59	38.7 Å²	38.7	41%	0.413	21%	0.213	S	C	.	.	S	Bend	trans	-155.7	-35.3	170.9	-62.6	0	0	0	0	115.7	K628	K628-S676 PolarHBondContact NZ-O 2.85Å
677	E	82.2	Confident	89.7	Confident	155 Å²	155	39.8 Å²	39.8	72%	0.724	22%	0.219	S	C	*	.	S	Bend	trans	-98.9	148.8	-173.8	-63.8	-175.9	177	0	0	112	S672 E679	S672-E677 WeakPolarHBondContact CB-O 3.38Å; S672-E677 PolarHBondContact N-O 3.32Å; E677-E679 PolarHBondContact O-N 2.83Å
678	C	85.3	Confident	89.5	Confident	49 Å²	49	41.7 Å²	41.7	33%	0.331	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	111.8	170	-60.9	0	0	0	0	109	C669 L670	C669-C678 VanDerWaalsContact SG-SG 3.61Å; L670-C678 CarbonylContact O-C 3.56Å; L670-C678 WeakPolarHBondContact O-CA 3.34Å
679	E	87.6	Confident	89.4	Confident	101 Å²	101	45 Å²	45	47%	0.472	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-38.3	166.6	-180	-174.2	143.3	0	0	109.9	K97 L670 E677	K97-E679 IonicContact NZ-OE1 3.36Å; K97-E679 PolarHBondContact NZ-OE1 3.46Å; L670-E679 HydrophobicContact CD2-CB 4.37Å; L670-E679 HydrophobicContact CD2-CG 4.39Å; L670-E679 PolarHBondContact O-N 3.25Å; E677-E679 PolarHBondContact O-N 2.83Å
680	V	91.9	Very high	89.5	Confident	17 Å²	17	45.6 Å²	45.6	10%	0.103	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125	173.1	-179.1	0	0	0	0	108.3	W133 C669 L670 R683	W133-V680 HydrophobicContact CH2-CG2 4.32Å; W133-V680 HydrophobicContact CZ3-CG2 4.08Å; C669-V680 VanDerWaalsContact CB-O 3.32Å; C669-V680 WeakPolarHBondContact CB-O 3.26Å; L670-V680 HydrophobicContact CB-CB 3.87Å; L670-V680 HydrophobicContact CB-CG2 4.16Å; L670-V680 HydrophobicContact CD2-CG2 4.28Å; L670-V680 PolarHBondContact N-O 3Å; L670-V680 PolarHBondContact O-N 3.29Å; L670-V680 VanDerWaalsContact O-N 3.12Å; V680-R683 VanDerWaalsContact CG1-NH1 3.33Å; V680-R683 VanDerWaalsContact CG1-NH2 3.28Å
681	G	93	Very high	89.5	Confident	41 Å²	41	51.8 Å²	51.8	42%	0.423	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	171.5	-179.9	0	0	0	0	0	113.8
682	W	97	Very high	89.7	Confident	36 Å²	36	55.9 Å²	55.9	14%	0.136	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.9	-180	-74.4	93.2	0	0	0	111.9	L649 Y650 M652 Q667 C669 L693 I696	L649-W682 HydrophobicContact CD2-CH2 4.35Å; L649-W682 HydrophobicContact CG-CH2 4.11Å; L649-W682 VanDerWaalsContact O-CZ2 3.26Å; L649-W682 WeakPolarHBondContact O-CZ2 3.32Å; Y650-W682 VanDerWaalsContact C-CH2 3.43Å; Y650-W682 WeakPolarHBondContact O-CZ3 3.3Å; M652-W682 HydrophobicContact CE-CH2 4.07Å; M652-W682 HydrophobicContact CE-CZ3 3.87Å; Q667-W682 HydrophobicContact CB-CE3 4.43Å; Q667-W682 HydrophobicContact CB-CZ3 4.47Å; C669-W682 HydrophobicContact CB-CB 4.49Å; C669-W682 HydrophobicContact CB-CD2 3.77Å; C669-W682 HydrophobicContact CB-CE3 4.27Å; C669-W682 HydrophobicContact CB-CG 3.89Å; C669-W682 VanDerWaalsContact SG-CE2 3.59Å; W682-L693 HydrophobicContact CB-CB 4.02Å; W682-L693 PolarHBondContact O-N 3.26Å; W682-I696 HydrophobicContact CB-CG2 4.09Å; W682-I696 HydrophobicContact CD2-CD1 3.9Å; W682-I696 HydrophobicContact CD2-CG2 3.59Å; W682-I696 VanDerWaalsContact CE2-CD1 3.41Å; W682-I696 HydrophobicContact CE3-CD1 4.21Å; W682-I696 HydrophobicContact CE3-CG2 3.63Å; W682-I696 HydrophobicContact CG-CG2 3.8Å; W682-I696 HydrophobicContact CH2-CD1 3.63Å; W682-I696 HydrophobicContact CZ2-CD1 3.27Å; W682-I696 HydrophobicContact CZ3-CD1 4.09Å; W682-I696 HydrophobicContact CZ3-CG2 4.23Å
683	R	97.4	Very high	90	Very high	22 Å²	22	56.8 Å²	56.8	8%	0.083	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.5	177.4	-70.1	171.9	-179.5	162.1	2.4	110.2	L69 G70 Q667 A668 V680 F685 V690 R691 D692	L69-R683 PolarHBondContact O-NH1 3.33Å; G70-R683 PolarHBondContact O-NH1 3.09Å; G70-R683 VanDerWaalsContact O-NH1 3.08Å; Q667-R683 CarbonylContact C-O 3.46Å; Q667-R683 VanDerWaalsContact CA-O 3.24Å; Q667-R683 WeakPolarHBondContact CA-O 3.26Å; A668-R683 PolarHBondContact N-O 3.24Å; A668-R683 PolarHBondContact O-N 2.89Å; V680-R683 VanDerWaalsContact CG1-NH1 3.33Å; V680-R683 VanDerWaalsContact CG1-NH2 3.28Å; R683-F685 HydrophobicContact CB-CD2 4.32Å; R683-F685 HydrophobicContact CB-CE1 4.33Å; R683-F685 HydrophobicContact CB-CE2 3.6Å; R683-F685 HydrophobicContact CB-CZ 3.63Å; R683-F685 HydrophobicContact CG-CZ 4.44Å; R683-V690 HydrophobicContact CB-CG1 4.2Å; R683-V690 HydrophobicContact CG-CG1 4.39Å; R683-R691 CarbonylContact C-O 3.55Å; R683-R691 VanDerWaalsContact CA-O 3.25Å; R683-R691 WeakPolarHBondContact CA-O 3.49Å; R683-D692 WeakPolarHBondContact CG-OD1 3.4Å; R683-D692 IonicContact NE-OD1 2.89Å; R683-D692 PolarHBondContact NE-OD1 3.05Å
684	H	97.9	Very high	90.3	Very high	36 Å²	36	61.9 Å²	61.9	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	168.5	-178.4	-110.2	0	0	0	109.1	V690 R691 L693	H684-V690 WeakPolarHBondContact O-CA 3.25Å; H684-R691 PolarHBondContact N-O 3.47Å; H684-R691 PolarHBondContact O-N 2.97Å; H684-L693 HydrophobicContact CB-CD1 3.97Å; H684-L693 HydrophobicContact CB-CD2 4.01Å; H684-L693 HydrophobicContact CB-CG 4Å
685	F	97.9	Very high	91	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.013	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109	178.5	-57.7	-87.3	0	0	0	109	Q88 A666 A668 R683 V690	Q88-F685 HydrophobicContact CB-CB 4.21Å; Q88-F685 HydrophobicContact CB-CD2 4.3Å; Q88-F685 HydrophobicContact CB-CG 4.17Å; Q88-F685 HydrophobicContact CG-CB 3.77Å; Q88-F685 HydrophobicContact CG-CD1 4.17Å; Q88-F685 HydrophobicContact CG-CG 3.93Å; Q88-F685 VanDerWaalsContact NE2-CD1 3.28Å; A666-F685 HydrophobicContact CB-CB 4.4Å; A666-F685 PolarHBondContact N-O 2.65Å; A666-F685 PolarHBondContact O-N 3.47Å; A668-F685 HydrophobicContact CB-CD2 4.47Å; A668-F685 HydrophobicContact CB-CE2 3.97Å; R683-F685 HydrophobicContact CB-CD2 4.32Å; R683-F685 HydrophobicContact CB-CE1 4.33Å; R683-F685 HydrophobicContact CB-CE2 3.6Å; R683-F685 HydrophobicContact CB-CZ 3.63Å; R683-F685 HydrophobicContact CG-CZ 4.44Å; F685-V690 HydrophobicContact CD1-CB 4.4Å; F685-V690 HydrophobicContact CD1-CG1 3.91Å; F685-V690 HydrophobicContact CD1-CG2 3.74Å; F685-V690 HydrophobicContact CE1-CG1 3.74Å; F685-V690 HydrophobicContact CE1-CG2 4.11Å; F685-V690 HydrophobicContact CZ-CG1 4.47Å
686	N	96.6	Very high	92.5	Very high	43 Å²	43	61 Å²	61	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	83.6	176.2	179.8	17.5	0	0	0	108.4	H663 V665 T688 E689	H663-N686 PolarHBondContact NE2-OD1 3.18Å; V665-N686 HydrophobicContact CG1-CB 4.08Å; N686-T688 PolarHBondContact O-N 3.36Å; N686-T688 VanDerWaalsContact O-N 3.11Å; N686-E689 HydrophobicContact CB-CB 4.37Å; N686-E689 PolarHBondContact N-O 3.46Å; N686-E689 WeakPolarHBondContact O-CB 3.35Å; N686-E689 PolarHBondContact O-N 3.2Å
687	D	95.6	Very high	93.8	Very high	22 Å²	22	64.3 Å²	64.3	12%	0.118	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-117.2	-171.3	-66.5	-35.2	0	0	0	110.8	G73 L74 N76 N84 H663 E689	G73-D687 CarbonylContact C-O 3.6Å; G73-D687 VanDerWaalsContact CA-O 3.23Å; G73-D687 WeakPolarHBondContact CA-O 3.29Å; L74-D687 VanDerWaalsContact N-C 3.34Å; L74-D687 PolarHBondContact N-O 3.45Å; L74-D687 CarbonylContact O-C 3.48Å; L74-D687 VanDerWaalsContact O-CA 3.24Å; L74-D687 WeakPolarHBondContact O-CA 3.35Å; L74-D687 WeakPolarHBondContact O-CB 3.42Å; N76-D687 HydrophobicContact CB-CB 4.11Å; N76-D687 VanDerWaalsContact CB-OD2 3.31Å; N76-D687 WeakPolarHBondContact CB-OD2 3.23Å; N76-D687 PolarHBondContact ND2-OD2 3.44Å; N84-D687 PolarHBondContact ND2-OD1 3.19Å; H663-D687 IonicContact CE1-OD2 2.75Å; H663-D687 PolarHBondContact CE1-OD2 3.4Å; D687-E689 PolarHBondContact O-N 2.89Å
688	T	95.7	Very high	94.3	Very high	71 Å²	71	59.7 Å²	59.7	44%	0.436	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.8	-178.3	53.9	0	0	0	0	113.5	L74 L75 T138 N686	L74-T688 WeakPolarHBondContact O-CG2 3.17Å; L74-T688 PolarHBondContact O-N 2.96Å; L75-T688 HydrophobicContact CD2-CG2 3.64Å; L75-T688 HydrophobicContact CG-CG2 4.31Å; T138-T688 HydrophobicContact CG2-CG2 3.88Å; N686-T688 PolarHBondContact O-N 3.36Å; N686-T688 VanDerWaalsContact O-N 3.11Å
689	E	95.2	Very high	94.6	Very high	70 Å²	70	59.4 Å²	59.4	33%	0.327	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.3	-177.8	179.7	170.7	-139.6	0	0	110.8	N686 D687 R691	N686-E689 HydrophobicContact CB-CB 4.37Å; N686-E689 PolarHBondContact N-O 3.46Å; N686-E689 WeakPolarHBondContact O-CB 3.35Å; N686-E689 PolarHBondContact O-N 3.2Å; D687-E689 PolarHBondContact O-N 2.89Å; E689-R691 VanDerWaalsContact CD-CZ 3.47Å; E689-R691 VanDerWaalsContact CD-NE 3.25Å; E689-R691 HydrophobicContact CG-CG 4.13Å; E689-R691 IonicContact OE1-CZ 3.69Å; E689-R691 IonicContact OE1-NE 2.62Å; E689-R691 PolarHBondContact OE1-NE 3.43Å; E689-R691 IonicContact OE1-NH2 3.49Å; E689-R691 PolarHBondContact OE1-NH2 3.22Å; E689-R691 IonicContact OE2-CZ 3.35Å; E689-R691 IonicContact OE2-NE 3.38Å; E689-R691 IonicContact OE2-NH2 3.79Å; E689-R691 PolarHBondContact OE2-NH2 3.37Å
690	V	97.3	Very high	94.8	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.7	171.9	-173.3	0	0	0	0	107.7	Y71 R683 H684 F685	Y71-V690 HydrophobicContact CD1-CB 3.82Å; Y71-V690 HydrophobicContact CD1-CG1 3.92Å; Y71-V690 HydrophobicContact CD2-CG1 3.98Å; Y71-V690 HydrophobicContact CE1-CB 3.62Å; Y71-V690 HydrophobicContact CE1-CG1 3.87Å; Y71-V690 HydrophobicContact CE2-CG1 3.95Å; Y71-V690 HydrophobicContact CG-CB 4.39Å; Y71-V690 HydrophobicContact CG-CG1 3.98Å; Y71-V690 PolarHBondContact OH-O 2.94Å; R683-V690 HydrophobicContact CB-CG1 4.2Å; R683-V690 HydrophobicContact CG-CG1 4.39Å; H684-V690 WeakPolarHBondContact O-CA 3.25Å; F685-V690 HydrophobicContact CD1-CB 4.4Å; F685-V690 HydrophobicContact CD1-CG1 3.91Å; F685-V690 HydrophobicContact CD1-CG2 3.74Å; F685-V690 HydrophobicContact CE1-CG1 3.74Å; F685-V690 HydrophobicContact CE1-CG2 4.11Å; F685-V690 HydrophobicContact CZ-CG1 4.47Å
691	R	95.8	Very high	94.7	Very high	131 Å²	131	57 Å²	57	49%	0.494	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.3	174.7	-60.5	-176.3	-169.3	153.3	2	109.7	R683 H684 E689	R683-R691 CarbonylContact C-O 3.55Å; R683-R691 VanDerWaalsContact CA-O 3.25Å; R683-R691 WeakPolarHBondContact CA-O 3.49Å; H684-R691 PolarHBondContact N-O 3.47Å; H684-R691 PolarHBondContact O-N 2.97Å; E689-R691 VanDerWaalsContact CD-CZ 3.47Å; E689-R691 VanDerWaalsContact CD-NE 3.25Å; E689-R691 HydrophobicContact CG-CG 4.13Å; E689-R691 IonicContact OE1-CZ 3.69Å; E689-R691 IonicContact OE1-NE 2.62Å; E689-R691 PolarHBondContact OE1-NE 3.43Å; E689-R691 IonicContact OE1-NH2 3.49Å; E689-R691 PolarHBondContact OE1-NH2 3.22Å; E689-R691 IonicContact OE2-CZ 3.35Å; E689-R691 IonicContact OE2-NE 3.38Å; E689-R691 IonicContact OE2-NH2 3.79Å; E689-R691 PolarHBondContact OE2-NH2 3.37Å
692	D	95.9	Very high	94.6	Very high	99 Å²	99	57 Å²	57	53%	0.529	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.2	170.3	-62.7	-54.1	0	0	0	110.2	Y71 R683	Y71-D692 WeakPolarHBondContact CE2-OD1 2.91Å; R683-D692 WeakPolarHBondContact CG-OD1 3.4Å; R683-D692 IonicContact NE-OD1 2.89Å; R683-D692 PolarHBondContact NE-OD1 3.05Å
693	L	95.8	Very high	94.5	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.257	29%	0.294	S	S	.	.			trans	-111.7	130.9	177.5	-66	175.9	0	0	0	110	Q667 W682 H684 I696	Q667-L693 HydrophobicContact CB-CD1 4.28Å; Q667-L693 HydrophobicContact CG-CD1 3.88Å; W682-L693 HydrophobicContact CB-CB 4.02Å; W682-L693 PolarHBondContact O-N 3.26Å; H684-L693 HydrophobicContact CB-CD1 3.97Å; H684-L693 HydrophobicContact CB-CD2 4.01Å; H684-L693 HydrophobicContact CB-CG 4Å; L693-I696 HydrophobicContact CD1-CG2 4.23Å
694	T	92.1	Very high	94	Very high	153 Å²	153	54.5 Å²	54.5	94%	0.939	29%	0.291	S	S	*	.	S	Bend	trans	-76.2	-29.4	173.9	49.8	0	0	0	0	112.4
695	S	92	Very high	93.9	Very high	89 Å²	89	52.8 Å²	52.8	62%	0.622	28%	0.283	S	S	*	.			trans	-154	159.7	179.4	54.5	0	0	0	0	109.9
696	I	93.7	Very high	93.9	Very high	23 Å²	23	52.6 Å²	52.6	12%	0.118	28%	0.283	C	S	.	.			trans	-116.9	145.9	173.7	62.3	-168.6	0	0	0	109.2	L627 M652 W682 L693	L627-I696 HydrophobicContact CB-CD1 4.34Å; L627-I696 HydrophobicContact CD1-CD1 3.93Å; L627-I696 HydrophobicContact CD1-CG1 3.49Å; L627-I696 VanDerWaalsContact CD1-CG1 3.49Å; L627-I696 HydrophobicContact CD2-CD1 3.64Å; L627-I696 HydrophobicContact CD2-CG1 3.76Å; L627-I696 HydrophobicContact CG-CD1 4.16Å; L627-I696 HydrophobicContact CG-CG1 4.17Å; M652-I696 HydrophobicContact CE-CB 4.2Å; M652-I696 HydrophobicContact CE-CD1 4.08Å; M652-I696 HydrophobicContact CE-CG2 4.46Å; W682-I696 HydrophobicContact CB-CG2 4.09Å; W682-I696 HydrophobicContact CD2-CD1 3.9Å; W682-I696 HydrophobicContact CD2-CG2 3.59Å; W682-I696 VanDerWaalsContact CE2-CD1 3.41Å; W682-I696 HydrophobicContact CE3-CD1 4.21Å; W682-I696 HydrophobicContact CE3-CG2 3.63Å; W682-I696 HydrophobicContact CG-CG2 3.8Å; W682-I696 HydrophobicContact CH2-CD1 3.63Å; W682-I696 HydrophobicContact CZ2-CD1 3.27Å; W682-I696 HydrophobicContact CZ3-CD1 4.09Å; W682-I696 HydrophobicContact CZ3-CG2 4.23Å; L693-I696 HydrophobicContact CD1-CG2 4.23Å
697	E	93.6	Very high	94	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	27%	0.272	S	S	*	.			trans	-79.8	144.8	175.1	-63.6	178.7	179	0	0	109.7	Y625	Y625-E697 WeakPolarHBondContact CE2-O 3.45Å; Y625-E697 PolarHBondContact OH-O 2.96Å
698	D	93.7	Very high	94.1	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	27%	0.266	S	S	.	.	S	Bend	trans	-100.7	3.9	-180	70.5	-30.3	0	0	0	113	R624 Y625 L627	R624-D698 CarbonylContact C-O 3.45Å; R624-D698 WeakPolarHBondContact CA-O 3.28Å; Y625-D698 PolarHBondContact N-O 2.93Å; L627-D698 HydrophobicContact CD1-CB 4.25Å; L627-D698 HydrophobicContact CD2-CB 4.08Å; L627-D698 HydrophobicContact CG-CB 4.02Å
699	D	91.6	Very high	94.1	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	25%	0.247	C	C	.	.			trans	-142.2	26.2	-177.4	54.8	15.7	0	0	0	115.9	R624 P701	R624-D699 HydrophobicContact CG-CB 3.66Å; R624-D699 IonicContact CZ-OD2 3.86Å; R624-D699 IonicContact NE-OD2 2.69Å; R624-D699 PolarHBondContact NE-OD2 3.37Å; R624-D699 IonicContact NH2-OD2 2.61Å; R624-D699 PolarHBondContact NH2-OD2 3.31Å; D699-P701 WeakPolarHBondContact O-CD 3.29Å
700	D	91.2	Very high	94.1	Very high	24 Å²	24	44.9 Å²	44.9	13%	0.128	24%	0.238	C	C	.	.			trans	-60.4	117.7	177.7	173.6	11.5	0	0	0	111	Y625 S654 N702 V703	Y625-D700 PolarHBondContact OH-N 3.22Å; S654-D700 PolarHBondContact OG-OD2 3.02Å; S654-D700 VanDerWaalsContact OG-OD2 3.06Å; D700-N702 PolarHBondContact O-N 2.59Å; D700-N702 VanDerWaalsContact O-N 3.11Å; D700-N702 VanDerWaalsContact OD1-CB 3.3Å; D700-N702 WeakPolarHBondContact OD1-CB 3.39Å; D700-N702 PolarHBondContact OD1-N 2.88Å; D700-N702 PolarHBondContact OD1-ND2 3.22Å; D700-V703 HydrophobicContact CB-CG2 3.79Å; D700-V703 PolarHBondContact O-N 3.44Å
701	P	88.9	Confident	93.8	Very high	44 Å²	44	45.3 Å²	45.3	29%	0.286	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.1	-179.5	28	-35.9	0	0	0	113.8	R607 E620 P622 D699	R607-P701 PolarHBondContact NE-O 2.94Å; R607-P701 PolarHBondContact NH1-O 3.15Å; R607-P701 PolarHBondContact NH2-O 3.25Å; E620-P701 VanDerWaalsContact O-CB 3.31Å; E620-P701 WeakPolarHBondContact O-CB 3.15Å; P622-P701 HydrophobicContact CG-CB 4.27Å; D699-P701 WeakPolarHBondContact O-CD 3.29Å
702	N	92	Very high	93.3	Very high	40 Å²	40	42.5 Å²	42.5	21%	0.214	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.9	178.6	-59.1	-68.9	0	0	0	113.2	K618 S654 H655 T656 D700 Y704	K618-N702 PolarHBondContact NZ-OD1 2.95Å; S654-N702 CarbonylContact C-O 2.97Å; S654-N702 VanDerWaalsContact CA-O 3.26Å; S654-N702 WeakPolarHBondContact CA-O 3.35Å; H655-N702 PolarHBondContact N-O 2.86Å; H655-N702 WeakPolarHBondContact O-CB 3.48Å; H655-N702 PolarHBondContact O-OD1 2.83Å; T656-N702 HydrophobicContact CG2-CB 4.24Å; D700-N702 PolarHBondContact O-N 2.59Å; D700-N702 VanDerWaalsContact O-N 3.11Å; D700-N702 VanDerWaalsContact OD1-CB 3.3Å; D700-N702 WeakPolarHBondContact OD1-CB 3.39Å; D700-N702 PolarHBondContact OD1-N 2.88Å; D700-N702 PolarHBondContact OD1-ND2 3.22Å; N702-Y704 PolarHBondContact O-N 3.07Å
703	V	93.9	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.5	179.7	169.4	0	0	0	0	110.8	R607 Y625 M652 S654 D700 L706	R607-V703 PolarHBondContact NE-O 3.35Å; R607-V703 PolarHBondContact NH2-O 3.38Å; Y625-V703 HydrophobicContact CE1-CB 4.05Å; Y625-V703 HydrophobicContact CE1-CG1 4.12Å; Y625-V703 HydrophobicContact CE1-CG2 4.18Å; M652-V703 HydrophobicContact CB-CG1 4.16Å; M652-V703 HydrophobicContact CB-CG2 4.45Å; M652-V703 HydrophobicContact CG-CG2 4.24Å; M652-V703 HydrophobicContact SD-CG2 3.7Å; S654-V703 WeakPolarHBondContact OG-CG2 3.37Å; D700-V703 HydrophobicContact CB-CG2 3.79Å; D700-V703 PolarHBondContact O-N 3.44Å; V703-L706 HydrophobicContact CG1-CD2 3.58Å; V703-L706 HydrophobicContact CG1-CG 3.94Å
704	Y	87.1	Confident	92.3	Very high	6 Å²	6	41.1 Å²	41.1	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-38.9	-175.8	175.4	-110.4	0	0	0	112.8	D162 Q164 Q604 I605 R607 F608 V653 N702	D162-Y704 PolarHBondContact OD1-OH 3.4Å; Q164-Y704 HydrophobicContact CB-CE1 4.27Å; Q604-Y704 HydrophobicContact CG-CE1 4.33Å; Q604-Y704 HydrophobicContact CG-CE2 4.13Å; Q604-Y704 PolarHBondContact NE2-OH 2.96Å; I605-Y704 PolarHBondContact N-O 3.35Å; I605-Y704 WeakPolarHBondContact O-CD2 3.48Å; I605-Y704 VanDerWaalsContact O-CE2 3.25Å; I605-Y704 WeakPolarHBondContact O-CE2 3.27Å; R607-Y704 HydrophobicContact CB-CD2 4.26Å; R607-Y704 HydrophobicContact CG-CD2 4.39Å; F608-Y704 HydrophobicContact CD2-CD2 4.41Å; F608-Y704 AromaticContact CD2-CE2 3.77Å; F608-Y704 HydrophobicContact CD2-CE2 3.77Å; F608-Y704 HydrophobicContact CE2-CD2 4.11Å; F608-Y704 AromaticContact CE2-CE2 3.82Å; F608-Y704 HydrophobicContact CE2-CE2 3.82Å; V653-Y704 PolarHBondContact O-N 3.37Å; N702-Y704 PolarHBondContact O-N 3.07Å
705	F	95.9	Very high	92.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.3	170.8	-72.8	-71.3	0	0	0	111.6	A163 Q164 L167 I602 I603 Q604 M652 V653 F707	A163-F705 HydrophobicContact CB-CE2 4.2Å; Q164-F705 HydrophobicContact CB-CE2 4.24Å; Q164-F705 HydrophobicContact CB-CZ 3.59Å; Q164-F705 HydrophobicContact CG-CE1 4.42Å; Q164-F705 HydrophobicContact CG-CZ 3.81Å; L167-F705 HydrophobicContact CD2-CD1 4.44Å; L167-F705 HydrophobicContact CD2-CE1 4.11Å; L167-F705 HydrophobicContact CD2-CE2 4.36Å; L167-F705 HydrophobicContact CD2-CZ 4.09Å; I602-F705 HydrophobicContact CG2-CD1 3.96Å; I602-F705 HydrophobicContact CG2-CE1 4.44Å; I603-F705 WeakPolarHBondContact O-CA 3.44Å; Q604-F705 HydrophobicContact CB-CD1 3.9Å; Q604-F705 HydrophobicContact CB-CE1 3.61Å; Q604-F705 HydrophobicContact CG-CD1 4.18Å; Q604-F705 HydrophobicContact CG-CE1 3.65Å; Q604-F705 HydrophobicContact CG-CZ 4.16Å; M652-F705 CarbonylContact C-O 3.6Å; M652-F705 WeakPolarHBondContact CA-O 3.47Å; M652-F705 WeakPolarHBondContact CB-O 3.47Å; V653-F705 HydrophobicContact CB-CB 4.1Å; V653-F705 HydrophobicContact CB-CD2 4.27Å; V653-F705 HydrophobicContact CG2-CB 4.48Å; V653-F705 PolarHBondContact N-O 3.4Å; V653-F705 PolarHBondContact O-N 3.38Å; F705-F707 HydrophobicContact CB-CD2 4.28Å; F705-F707 HydrophobicContact CB-CE2 3.67Å; F705-F707 HydrophobicContact CB-CZ 4.46Å; F705-F707 HydrophobicContact CG-CE2 4.38Å
706	L	98.2	Very high	91.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.6	171.8	-64.3	164.1	0	0	0	108.6	L558 I603 I605 Y625 L649 M652 V703 Y708	L558-L706 HydrophobicContact CD2-CD1 3.83Å; I603-L706 HydrophobicContact CB-CB 4.32Å; I603-L706 PolarHBondContact N-O 3.35Å; I603-L706 PolarHBondContact O-N 3.27Å; I605-L706 HydrophobicContact CD1-CD1 4.33Å; Y625-L706 HydrophobicContact CD1-CD1 4.2Å; Y625-L706 HydrophobicContact CD1-CD2 4.14Å; Y625-L706 HydrophobicContact CD2-CD2 3.65Å; Y625-L706 HydrophobicContact CE1-CD2 4.47Å; Y625-L706 HydrophobicContact CE2-CD2 4.02Å; Y625-L706 HydrophobicContact CG-CD1 3.88Å; Y625-L706 HydrophobicContact CG-CD2 3.74Å; Y625-L706 HydrophobicContact CG-CG 4.49Å; L649-L706 HydrophobicContact CD1-CB 3.8Å; L649-L706 HydrophobicContact CD1-CD2 3.67Å; L649-L706 HydrophobicContact CD1-CG 4.36Å; L649-L706 HydrophobicContact CD2-CD2 4Å; M652-L706 HydrophobicContact CB-CD2 4.1Å; V703-L706 HydrophobicContact CG1-CD2 3.58Å; V703-L706 HydrophobicContact CG1-CG 3.94Å; L706-Y708 HydrophobicContact CB-CD2 4.07Å; L706-Y708 HydrophobicContact CB-CE2 3.64Å; L706-Y708 HydrophobicContact CD1-CE2 4.15Å; L706-Y708 HydrophobicContact CG-CE2 4.41Å
707	F	98.4	Very high	91.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.8	178	-65.2	-106.6	0	0	0	109.1	A89 L90 L167 I602 L649 Y650 A651 V653 F705	A89-F707 HydrophobicContact CB-CD2 3.91Å; A89-F707 HydrophobicContact CB-CE1 4.25Å; A89-F707 HydrophobicContact CB-CE2 3.61Å; A89-F707 HydrophobicContact CB-CG 4.36Å; A89-F707 HydrophobicContact CB-CZ 3.8Å; L90-F707 HydrophobicContact CD2-CE1 4.22Å; L167-F707 HydrophobicContact CD2-CE1 4.41Å; L167-F707 HydrophobicContact CD2-CZ 3.91Å; I602-F707 HydrophobicContact CD1-CD1 4.08Å; I602-F707 HydrophobicContact CD1-CE1 3.69Å; I602-F707 HydrophobicContact CG1-CD1 3.78Å; I602-F707 HydrophobicContact CG1-CE1 3.87Å; I602-F707 HydrophobicContact CG2-CD1 4.37Å; I602-F707 HydrophobicContact CG2-CE1 4.1Å; I602-F707 HydrophobicContact CG2-CZ 4.23Å; L649-F707 WeakPolarHBondContact CD1-O 3.49Å; Y650-F707 HydrophobicContact CD1-CB 4.24Å; Y650-F707 WeakPolarHBondContact CD1-O 3.1Å; Y650-F707 HydrophobicContact CE1-CB 3.61Å; Y650-F707 WeakPolarHBondContact CE1-O 3.26Å; Y650-F707 HydrophobicContact CE2-CB 4.32Å; Y650-F707 PolarHBondContact N-O 3.41Å; A651-F707 HydrophobicContact CB-CB 3.96Å; A651-F707 HydrophobicContact CB-CD2 4.19Å; A651-F707 HydrophobicContact CB-CG 4.25Å; A651-F707 PolarHBondContact N-O 2.89Å; A651-F707 WeakPolarHBondContact O-CB 3.13Å; A651-F707 PolarHBondContact O-N 3.15Å; V653-F707 HydrophobicContact CG2-CE2 4.11Å; F705-F707 HydrophobicContact CB-CD2 4.28Å; F705-F707 HydrophobicContact CB-CE2 3.67Å; F705-F707 HydrophobicContact CB-CZ 4.46Å; F705-F707 HydrophobicContact CG-CE2 4.38Å
708	Y	97.7	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.8	-176.6	-81.9	-77.9	0	0	0	110	L558 V600 L601 I603 P626 F630 D648 L649 L706	L558-Y708 HydrophobicContact CD2-CE2 4.03Å; V600-Y708 CarbonylContact C-O 3.57Å; V600-Y708 VanDerWaalsContact CA-O 3.31Å; V600-Y708 WeakPolarHBondContact CA-O 3.22Å; L601-Y708 PolarHBondContact N-O 2.96Å; L601-Y708 PolarHBondContact O-N 3.17Å; I603-Y708 HydrophobicContact CD1-CD2 3.97Å; I603-Y708 HydrophobicContact CD1-CE2 3.99Å; I603-Y708 HydrophobicContact CG1-CD2 4.39Å; P626-Y708 WeakPolarHBondContact O-CE1 3.45Å; P626-Y708 PolarHBondContact O-OH 3.23Å; F630-Y708 HydrophobicContact CB-CD1 4.16Å; F630-Y708 HydrophobicContact CB-CE1 3.78Å; F630-Y708 HydrophobicContact CD1-CD1 4.1Å; F630-Y708 HydrophobicContact CD1-CD2 4.35Å; F630-Y708 HydrophobicContact CD1-CE1 4.06Å; F630-Y708 HydrophobicContact CD1-CE2 4.29Å; F630-Y708 HydrophobicContact CD1-CG 4.26Å; F630-Y708 HydrophobicContact CG-CE1 4.15Å; D648-Y708 CarbonylContact O-C 3.5Å; D648-Y708 WeakPolarHBondContact O-CA 3.32Å; L649-Y708 HydrophobicContact CB-CD1 4.08Å; L649-Y708 HydrophobicContact CB-CE1 3.69Å; L649-Y708 HydrophobicContact CD1-CD1 4.23Å; L649-Y708 HydrophobicContact CD1-CD2 4.05Å; L649-Y708 HydrophobicContact CD1-CE1 3.94Å; L649-Y708 HydrophobicContact CD1-CE2 3.77Å; L649-Y708 HydrophobicContact CD1-CG 4.27Å; L649-Y708 HydrophobicContact CG-CE1 4.4Å; L706-Y708 HydrophobicContact CB-CD2 4.07Å; L706-Y708 HydrophobicContact CB-CE2 3.64Å; L706-Y708 HydrophobicContact CD1-CE2 4.15Å; L706-Y708 HydrophobicContact CG-CE2 4.41Å
709	A	95.7	Very high	91.4	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.3	173.1	0	0	0	0	0	110	Y647 D648 Y650 L671 Q711	Y647-A709 CarbonylContact C-O 3.56Å; Y647-A709 VanDerWaalsContact CA-O 3.28Å; Y647-A709 WeakPolarHBondContact CA-O 3.33Å; D648-A709 PolarHBondContact N-O 2.96Å; D648-A709 PolarHBondContact O-N 3.28Å; Y650-A709 HydrophobicContact CD1-CB 3.77Å; Y650-A709 HydrophobicContact CE1-CB 4.15Å; L671-A709 HydrophobicContact CD1-CB 3.54Å; A709-Q711 PolarHBondContact O-N 3.06Å
710	R	94.6	Very high	91.4	Very high	39 Å²	39	36.8 Å²	36.8	15%	0.147	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.1	179.1	-169.7	163.6	60.9	-166.4	-1.7	110.2	L597 P599 I644 Y647 F713	L597-R710 PolarHBondContact O-NH1 2.73Å; P599-R710 WeakPolarHBondContact O-CB 3.43Å; P599-R710 PolarHBondContact O-N 2.87Å; I644-R710 HydrophobicContact CB-CG 4.17Å; I644-R710 HydrophobicContact CG2-CG 3.82Å; I644-R710 VanDerWaalsContact O-CD 3.26Å; I644-R710 WeakPolarHBondContact O-CD 3.19Å; Y647-R710 VanDerWaalsContact CD1-CA 3.5Å; Y647-R710 HydrophobicContact CD1-CB 3.99Å; Y647-R710 VanDerWaalsContact CD1-N 3.26Å; Y647-R710 HydrophobicContact CE1-CB 3.52Å; Y647-R710 HydrophobicContact CE1-CG 4.2Å; Y647-R710 HydrophobicContact CE2-CB 4.49Å; Y647-R710 HydrophobicContact CE2-CG 4.31Å; R710-F713 HydrophobicContact CB-CB 4.41Å; R710-F713 VanDerWaalsContact NH2-CD2 3.35Å
711	Q	92.5	Very high	91.3	Very high	23 Å²	23	38.1 Å²	38.1	11%	0.107	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	159.5	175.3	-67.8	-177.1	-4	0	0	111.2	N629 I644 K646 D648 A709 F713	N629-Q711 PolarHBondContact OD1-NE2 3.06Å; I644-Q711 WeakPolarHBondContact CG2-O 3.43Å; K646-Q711 HydrophobicContact CB-CB 4.34Å; K646-Q711 HydrophobicContact CB-CG 4.18Å; K646-Q711 PolarHBondContact O-N 3.38Å; D648-Q711 PolarHBondContact OD1-NE2 2.76Å; A709-Q711 PolarHBondContact O-N 3.06Å; Q711-F713 PolarHBondContact O-N 2.95Å
712	N	85.8	Confident	91.3	Very high	71 Å²	71	36 Å²	36	38%	0.38	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	31.2	175.6	-55.4	-38	0	0	0	113.9	I644	I644-N712 HydrophobicContact CD1-CB 4Å; I644-N712 WeakPolarHBondContact CD1-O 3.39Å
713	F	83.1	Confident	91.2	Very high	28 Å²	28	37.4 Å²	37.4	12%	0.123	18%	0.183	C	C	.	.			trans	-113.8	98.7	179.1	-167.1	-100.1	0	0	0	109	W94 P599 R710 Q711 F718	W94-F713 HydrophobicContact CZ2-CD1 4.11Å; P599-F713 HydrophobicContact CB-CD1 3.87Å; P599-F713 HydrophobicContact CB-CE1 3.57Å; P599-F713 HydrophobicContact CB-CZ 4.03Å; P599-F713 HydrophobicContact CG-CD1 4.33Å; P599-F713 HydrophobicContact CG-CE1 3.63Å; P599-F713 HydrophobicContact CG-CE2 4.22Å; P599-F713 HydrophobicContact CG-CZ 3.57Å; R710-F713 HydrophobicContact CB-CB 4.41Å; R710-F713 VanDerWaalsContact NH2-CD2 3.35Å; Q711-F713 PolarHBondContact O-N 2.95Å; F713-F718 HydrophobicContact CE1-CB 3.7Å; F713-F718 AromaticContact CE1-CD2 3.4Å; F713-F718 HydrophobicContact CE1-CD2 3.4Å; F713-F718 VanDerWaalsContact CE1-CD2 3.4Å; F713-F718 HydrophobicContact CE1-CE2 4.32Å; F713-F718 AromaticContact CE1-CG 3.9Å; F713-F718 HydrophobicContact CE1-CG 3.9Å; F713-F718 HydrophobicContact CZ-CB 4.09Å; F713-F718 AromaticContact CZ-CD2 3.69Å; F713-F718 HydrophobicContact CZ-CD2 3.69Å; F713-F718 HydrophobicContact CZ-CG 4.37Å
714	Y	87	Confident	90.8	Very high	91 Å²	91	42.1 Å²	42.1	36%	0.357	21%	0.208	S	C	.	.			trans	-90.6	149	-167.6	-54.2	-69.3	0	0	0	112.8	N674 D716 E717 F718	N674-Y714 WeakPolarHBondContact O-CE1 3.38Å; Y714-D716 VanDerWaalsContact C-N 3.29Å; Y714-D716 PolarHBondContact O-N 3.24Å; Y714-E717 PolarHBondContact O-N 2.78Å; Y714-E717 VanDerWaalsContact O-N 3.13Å; Y714-F718 PolarHBondContact O-N 2.94Å
715	A	87.5	Confident	90.6	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-39.4	178.1	0	0	0	0	0	114	W94 E673 E717 F718 F719	W94-A715 HydrophobicContact CE3-CB 4.3Å; W94-A715 VanDerWaalsContact CH2-CA 3.43Å; W94-A715 HydrophobicContact CH2-CB 3.86Å; W94-A715 HydrophobicContact CZ3-CB 3.49Å; W94-A715 VanDerWaalsContact CZ3-CB 3.49Å; E673-A715 HydrophobicContact CB-CB 3.65Å; E673-A715 HydrophobicContact CG-CB 3.92Å; E673-A715 PolarHBondContact O-N 3.17Å; E673-A715 WeakPolarHBondContact OE2-CB 3.41Å; A715-E717 VanDerWaalsContact C-N 3.34Å; A715-E717 PolarHBondContact O-N 3.49Å; A715-F718 PolarHBondContact O-N 2.98Å; A715-F719 HydrophobicContact CB-CD2 4.33Å; A715-F719 HydrophobicContact CB-CE2 4.49Å; A715-F719 WeakPolarHBondContact O-CB 3.32Å; A715-F719 VanDerWaalsContact O-CD2 3.26Å; A715-F719 WeakPolarHBondContact O-CD2 3.37Å; A715-F719 PolarHBondContact O-N 2.66Å
716	D	87.5	Confident	89.9	Confident	142 Å²	142	46.6 Å²	46.6	76%	0.759	23%	0.227	S	C	*	.	H	α-helix	trans	-63.2	-40.6	178.3	-73.8	-13.3	0	0	0	111.8	Y714 K720	Y714-D716 VanDerWaalsContact C-N 3.29Å; Y714-D716 PolarHBondContact O-N 3.24Å; D716-K720 WeakPolarHBondContact O-CB 3.17Å; D716-K720 PolarHBondContact O-N 3.32Å
717	E	87.5	Confident	88.8	Confident	106 Å²	106	48.2 Å²	48.2	50%	0.495	24%	0.244	S	C	.	.	H	α-helix	trans	-69.9	-43.1	177	-65.3	-172.6	156.8	0	0	111.6	Y714 A715 K720 S721	Y714-E717 PolarHBondContact O-N 2.78Å; Y714-E717 VanDerWaalsContact O-N 3.13Å; A715-E717 VanDerWaalsContact C-N 3.34Å; A715-E717 PolarHBondContact O-N 3.49Å; E717-K720 PolarHBondContact O-N 3.12Å; E717-S721 WeakPolarHBondContact O-CB 3.5Å; E717-S721 PolarHBondContact O-N 3.08Å
718	F	91.8	Very high	87.4	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-53.3	176.8	179.5	-108.6	0	0	0	111.7	W94 Q95 I217 D220 F713 Y714 A715 K720 S721 Y722	W94-F718 HydrophobicContact CH2-CB 3.8Å; W94-F718 HydrophobicContact CH2-CD1 4.06Å; W94-F718 HydrophobicContact CH2-CG 4.04Å; W94-F718 HydrophobicContact CZ3-CD1 4.22Å; Q95-F718 HydrophobicContact CB-CE1 3.83Å; Q95-F718 HydrophobicContact CB-CZ 3.81Å; Q95-F718 HydrophobicContact CG-CD1 4.26Å; Q95-F718 HydrophobicContact CG-CD2 4.42Å; Q95-F718 HydrophobicContact CG-CE1 3.94Å; Q95-F718 HydrophobicContact CG-CE2 4.08Å; Q95-F718 HydrophobicContact CG-CG 4.48Å; Q95-F718 HydrophobicContact CG-CZ 3.82Å; I217-F718 HydrophobicContact CD1-CE1 3.79Å; I217-F718 HydrophobicContact CD1-CZ 3.57Å; D220-F718 HydrophobicContact CB-CE2 3.86Å; D220-F718 HydrophobicContact CB-CZ 4.16Å; F713-F718 HydrophobicContact CE1-CB 3.7Å; F713-F718 AromaticContact CE1-CD2 3.4Å; F713-F718 HydrophobicContact CE1-CD2 3.4Å; F713-F718 VanDerWaalsContact CE1-CD2 3.4Å; F713-F718 HydrophobicContact CE1-CE2 4.32Å; F713-F718 AromaticContact CE1-CG 3.9Å; F713-F718 HydrophobicContact CE1-CG 3.9Å; F713-F718 HydrophobicContact CZ-CB 4.09Å; F713-F718 AromaticContact CZ-CD2 3.69Å; F713-F718 HydrophobicContact CZ-CD2 3.69Å; F713-F718 HydrophobicContact CZ-CG 4.37Å; Y714-F718 PolarHBondContact O-N 2.94Å; A715-F718 PolarHBondContact O-N 2.98Å; F718-K720 VanDerWaalsContact C-N 3.32Å; F718-K720 PolarHBondContact O-N 3.38Å; F718-S721 WeakPolarHBondContact O-CB 3.42Å; F718-S721 PolarHBondContact O-N 2.62Å; F718-Y722 WeakPolarHBondContact O-CB 3.29Å; F718-Y722 PolarHBondContact O-N 2.74Å
719	F	92.2	Very high	86	Confident	10 Å²	10	52.4 Å²	52.4	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-72.3	-25.7	-179.1	-73.2	-64.4	0	0	0	112.6	W94 Y99 Y104 A715 Y722 N723	W94-F719 HydrophobicContact CZ3-CE2 4.14Å; Y99-F719 HydrophobicContact CD2-CE1 4.5Å; Y104-F719 AromaticContact CD2-CD1 3.97Å; Y104-F719 HydrophobicContact CD2-CD1 3.97Å; Y104-F719 AromaticContact CD2-CE1 3.65Å; Y104-F719 HydrophobicContact CD2-CE1 3.65Å; Y104-F719 HydrophobicContact CD2-CZ 4.39Å; Y104-F719 AromaticContact CE2-CD1 3.59Å; Y104-F719 HydrophobicContact CE2-CD1 3.59Å; Y104-F719 AromaticContact CE2-CE1 3.63Å; Y104-F719 HydrophobicContact CE2-CE1 3.63Å; Y104-F719 HydrophobicContact CE2-CG 4.19Å; Y104-F719 HydrophobicContact CE2-CZ 4.25Å; A715-F719 HydrophobicContact CB-CD2 4.33Å; A715-F719 HydrophobicContact CB-CE2 4.49Å; A715-F719 WeakPolarHBondContact O-CB 3.32Å; A715-F719 VanDerWaalsContact O-CD2 3.26Å; A715-F719 WeakPolarHBondContact O-CD2 3.37Å; A715-F719 PolarHBondContact O-N 2.66Å; F719-Y722 HydrophobicContact CD1-CD1 4.29Å; F719-N723 WeakPolarHBondContact O-CB 3.33Å; F719-N723 VanDerWaalsContact O-CG 3.26Å; F719-N723 PolarHBondContact O-N 2.91Å; F719-N723 PolarHBondContact O-ND2 3.07Å
720	K	90.5	Very high	84.3	Confident	139 Å²	139	54.3 Å²	54.3	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-65.4	-45.9	168.3	-178.2	-178.9	180	-175	0	111.2	D716 E717 F718 N723 N724	D716-K720 WeakPolarHBondContact O-CB 3.17Å; D716-K720 PolarHBondContact O-N 3.32Å; E717-K720 PolarHBondContact O-N 3.12Å; F718-K720 VanDerWaalsContact C-N 3.32Å; F718-K720 PolarHBondContact O-N 3.38Å; K720-N723 PolarHBondContact O-N 3.21Å; K720-N724 WeakPolarHBondContact O-CB 3.4Å; K720-N724 PolarHBondContact O-N 3.34Å; K720-N724 PolarHBondContact O-ND2 3.08Å
721	S	88.6	Confident	82.5	Confident	52 Å²	52	57.4 Å²	57.4	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-49	174.7	-175	0	0	0	0	111.2	E717 F718 N723 N724 Q725	E717-S721 WeakPolarHBondContact O-CB 3.5Å; E717-S721 PolarHBondContact O-N 3.08Å; F718-S721 WeakPolarHBondContact O-CB 3.42Å; F718-S721 PolarHBondContact O-N 2.62Å; S721-N723 PolarHBondContact O-N 3.38Å; S721-N724 PolarHBondContact O-N 3.49Å; S721-Q725 PolarHBondContact O-N 3.43Å; S721-Q725 WeakPolarHBondContact O-CG 3.03Å
722	Y	90.5	Very high	80.8	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-53.7	-49.7	175.3	164.7	-93.5	0	0	0	112.2	Y99 Y104 D108 I217 F718 F719 N724 Q725 R726	Y99-Y722 HydrophobicContact CD2-CE2 4.25Å; Y99-Y722 AromaticContact CE2-CE2 3.65Å; Y99-Y722 HydrophobicContact CE2-CE2 3.65Å; Y99-Y722 AromaticContact CE2-CZ 3.81Å; Y104-Y722 AromaticContact CD1-CE1 3.85Å; Y104-Y722 HydrophobicContact CD1-CE1 3.85Å; Y104-Y722 HydrophobicContact CE1-CE1 4.35Å; Y104-Y722 HydrophobicContact CG-CE1 4.13Å; D108-Y722 PolarHBondContact OD1-OH 3.25Å; D108-Y722 PolarHBondContact OD2-OH 3.05Å; I217-Y722 HydrophobicContact CD1-CD2 4.16Å; F718-Y722 WeakPolarHBondContact O-CB 3.29Å; F718-Y722 PolarHBondContact O-N 2.74Å; F719-Y722 HydrophobicContact CD1-CD1 4.29Å; Y722-N724 PolarHBondContact O-N 3.12Å; Y722-Q725 PolarHBondContact O-N 2.8Å; Y722-R726 VanDerWaalsContact O-CB 3.29Å; Y722-R726 WeakPolarHBondContact O-CB 3.28Å; Y722-R726 PolarHBondContact O-N 2.88Å
723	N	89	Confident	79.2	Confident	68 Å²	68	59 Å²	59	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-36.7	179.9	-76.5	-45.8	0	0	0	112.3	F719 K720 S721 G727	F719-N723 WeakPolarHBondContact O-CB 3.33Å; F719-N723 VanDerWaalsContact O-CG 3.26Å; F719-N723 PolarHBondContact O-N 2.91Å; F719-N723 PolarHBondContact O-ND2 3.07Å; K720-N723 PolarHBondContact O-N 3.21Å; S721-N723 PolarHBondContact O-N 3.38Å; N723-G727 PolarHBondContact O-N 2.74Å
724	N	86.3	Confident	77.5	Confident	100 Å²	100	67.3 Å²	67.3	54%	0.535	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-47.2	176.3	-74.6	-14.4	0	0	0	111.8	K720 S721 Y722 G727 A728	K720-N724 WeakPolarHBondContact O-CB 3.4Å; K720-N724 PolarHBondContact O-N 3.34Å; K720-N724 PolarHBondContact O-ND2 3.08Å; S721-N724 PolarHBondContact O-N 3.49Å; Y722-N724 PolarHBondContact O-N 3.12Å; N724-G727 PolarHBondContact O-N 2.81Å; N724-A728 WeakPolarHBondContact O-CB 3.22Å; N724-A728 PolarHBondContact O-N 3.44Å
725	Q	82.1	Confident	75.4	Confident	51 Å²	51	67.3 Å²	67.3	24%	0.238	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-49.2	176.7	-72.5	177.3	-3.8	0	0	110.2	D220 S721 Y722 G727 A728 E729	D220-Q725 PolarHBondContact OD1-OE1 2.93Å; D220-Q725 PolarHBondContact OD2-OE1 3.32Å; S721-Q725 PolarHBondContact O-N 3.43Å; S721-Q725 WeakPolarHBondContact O-CG 3.03Å; Y722-Q725 PolarHBondContact O-N 2.8Å; Q725-G727 VanDerWaalsContact C-N 3.29Å; Q725-G727 PolarHBondContact O-N 2.86Å; Q725-A728 PolarHBondContact O-N 2.94Å; Q725-E729 PolarHBondContact O-N 3.4Å; Q725-E729 WeakPolarHBondContact O-CB 3.26Å; Q725-E729 WeakPolarHBondContact O-CG 3.27Å; Q725-E729 VanDerWaalsContact O-CD 3.27Å; Q725-E729 VanDerWaalsContact O-CB 3.23Å
726	R	80.4	Confident	73.2	Confident	48 Å²	48	73 Å²	73	18%	0.181	41%	0.406	C	S	.	.	H	α-helix	trans	-58.6	-39.3	176.3	-174.1	171.5	164.5	-127.5	-6.3	113.2	Q107 D108 Y722 A730	Q107-R726 VanDerWaalsContact OE1-CZ 3.26Å; Q107-R726 VanDerWaalsContact OE1-NH2 3.12Å; D108-R726 WeakPolarHBondContact OD1-CD 3.41Å; D108-R726 IonicContact OD1-NE 2.85Å; Y722-R726 VanDerWaalsContact O-CB 3.29Å; Y722-R726 WeakPolarHBondContact O-CB 3.28Å; Y722-R726 PolarHBondContact O-N 2.88Å; R726-A730 VanDerWaalsContact O-CB 3.29Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.93Å
727	G	76.4	Confident	70.9	Confident	34 Å²	34	73.1 Å²	73.1	35%	0.351	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-46.3	176.1	0	0	0	0	0	113.2	N723 N724 Q725 A730 V731	N723-G727 PolarHBondContact O-N 2.74Å; N724-G727 PolarHBondContact O-N 2.81Å; Q725-G727 VanDerWaalsContact C-N 3.29Å; Q725-G727 PolarHBondContact O-N 2.86Å; G727-A730 PolarHBondContact O-N 3.41Å; G727-V731 WeakPolarHBondContact O-CG2 3.17Å; G727-V731 PolarHBondContact O-N 3.24Å
728	A	69.4	Low	68.5	Low	65 Å²	65	70.7 Å²	70.7	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-44.4	178.4	0	0	0	0	0	111.4	N724 Q725 V731 S732	N724-A728 WeakPolarHBondContact O-CB 3.22Å; N724-A728 PolarHBondContact O-N 3.44Å; Q725-A728 PolarHBondContact O-N 2.94Å; A728-V731 PolarHBondContact O-N 3.35Å; A728-S732 PolarHBondContact O-N 3.01Å
729	E	66.6	Low	65.5	Low	24 Å²	24	77.7 Å²	77.7	11%	0.112	44%	0.439	C	S	.	.	H	α-helix	trans	-58.4	-51.9	172.4	-71.3	163.7	-164	0	0	109.9	R180 Q181 Q725 V731 S732 S733	R180-E729 WeakPolarHBondContact CB-OE2 3.48Å; R180-E729 WeakPolarHBondContact CD-OE2 3.37Å; R180-E729 IonicContact NH1-OE1 3.32Å; R180-E729 PolarHBondContact NH1-OE1 2.89Å; Q181-E729 VanDerWaalsContact CD-O 3.28Å; Q181-E729 HydrophobicContact CG-CB 3.92Å; Q181-E729 PolarHBondContact NE2-O 3.17Å; Q181-E729 PolarHBondContact OE1-O 3.45Å; Q725-E729 PolarHBondContact O-N 3.4Å; Q725-E729 WeakPolarHBondContact O-CB 3.26Å; Q725-E729 WeakPolarHBondContact O-CG 3.27Å; Q725-E729 VanDerWaalsContact O-CD 3.27Å; Q725-E729 VanDerWaalsContact O-CB 3.23Å; E729-V731 VanDerWaalsContact C-N 3.26Å; E729-V731 PolarHBondContact O-N 2.88Å; E729-S732 PolarHBondContact O-OG 3.29Å; E729-S732 PolarHBondContact O-N 2.94Å; E729-S732 WeakPolarHBondContact O-CA 3.48Å; E729-S732 WeakPolarHBondContact O-CB 3.41Å; E729-S733 PolarHBondContact O-N 3.46Å; E729-S733 VanDerWaalsContact O-N 3.14Å
730	A	61.8	Low	62.8	Low	43 Å²	43	83.6 Å²	83.6	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-55.4	-37.8	178.9	0	0	0	0	0	113.1	R726 G727 S733	R726-A730 VanDerWaalsContact O-CB 3.29Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.93Å; G727-A730 PolarHBondContact O-N 3.41Å; A730-S733 PolarHBondContact O-N 3.13Å; A730-S733 PolarHBondContact O-OG 2.52Å
731	V	56.7	Low	59.9	Low	104 Å²	104	85.4 Å²	85.4	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-66.9	-42	173.2	175	0	0	0	0	111.5	G727 A728 E729 S733 R734	G727-V731 WeakPolarHBondContact O-CG2 3.17Å; G727-V731 PolarHBondContact O-N 3.24Å; A728-V731 PolarHBondContact O-N 3.35Å; E729-V731 VanDerWaalsContact C-N 3.26Å; E729-V731 PolarHBondContact O-N 2.88Å; V731-S733 PolarHBondContact O-N 2.96Å; V731-R734 PolarHBondContact O-N 3.31Å
732	S	55.7	Low	57.2	Low	58 Å²	58	91.2 Å²	91.2	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-58.7	-28.7	177.5	98.5	0	0	0	0	112.8	Q181 K184 A728 E729 R734	Q181-S732 PolarHBondContact OE1-OG 2.86Å; K184-S732 WeakPolarHBondContact CE-O 3.44Å; K184-S732 PolarHBondContact NZ-O 3.05Å; A728-S732 PolarHBondContact O-N 3.01Å; E729-S732 PolarHBondContact O-OG 3.29Å; E729-S732 PolarHBondContact O-N 2.94Å; E729-S732 WeakPolarHBondContact O-CA 3.48Å; E729-S732 WeakPolarHBondContact O-CB 3.41Å; S732-R734 VanDerWaalsContact C-N 3.32Å; S732-R734 PolarHBondContact O-N 3.02Å
733	S	53.1	Low	54.2	Low	69 Å²	69	93.9 Å²	93.9	48%	0.483	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.4	-178.9	74.3	0	0	0	0	114.5	E729 A730 V731 N735	E729-S733 PolarHBondContact O-N 3.46Å; E729-S733 VanDerWaalsContact O-N 3.14Å; A730-S733 PolarHBondContact O-N 3.13Å; A730-S733 PolarHBondContact O-OG 2.52Å; V731-S733 PolarHBondContact O-N 2.96Å; S733-N735 PolarHBondContact O-N 3.25Å
734	R	47.8	Very low	51.3	Low	204 Å²	204	97 Å²	97	77%	0.77	55%	0.554	S	S	*	*	S	Bend	trans	-74.3	109.3	176	-68.9	-176.8	179.8	179	0.1	109.2	V731 S732 P736	V731-R734 PolarHBondContact O-N 3.31Å; S732-R734 VanDerWaalsContact C-N 3.32Å; S732-R734 PolarHBondContact O-N 3.02Å; R734-P736 WeakPolarHBondContact O-CD 3.24Å
735	N	41.8	Very low	48.4	Very low	91 Å²	91	103.2 Å²	103.2	49%	0.487	57%	0.57	S	S	.	*			trans	-72.9	119.7	173.3	-163.2	8.1	0	0	0	109.1	S733 D737 S738	S733-N735 PolarHBondContact O-N 3.25Å; N735-D737 PolarHBondContact O-N 3.19Å; N735-S738 PolarHBondContact O-N 2.81Å; N735-S738 PolarHBondContact O-OG 2.89Å
736	P	41.5	Very low	45.9	Very low	121 Å²	121	106.3 Å²	106.3	79%	0.786	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-20.5	178	22.6	-30.4	0	0	0	113.2	R734	R734-P736 WeakPolarHBondContact O-CD 3.24Å
737	D	39	Very low	43.4	Very low	145 Å²	145	107 Å²	107	78%	0.775	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-2.1	177.1	-73.3	-29.9	0	0	0	114.3	N735 N739	N735-D737 PolarHBondContact O-N 3.19Å; D737-N739 PolarHBondContact O-N 3.2Å
738	S	36.6	Very low	41.2	Very low	55 Å²	55	113 Å²	113	39%	0.385	64%	0.64	S	S	.	*			trans	-79	84.8	165.8	61.5	0	0	0	0	108.3	N735 D740	N735-S738 PolarHBondContact O-N 2.81Å; N735-S738 PolarHBondContact O-OG 2.89Å; S738-D740 PolarHBondContact O-N 3.13Å
739	N	30.6	Very low	39.3	Very low	151 Å²	151	117.3 Å²	117.3	81%	0.807	65%	0.654	S	S	*	*			trans	-69	52.7	156.1	-137.9	7.5	0	0	0	108.3	D737 Q741	D737-N739 PolarHBondContact O-N 3.2Å; N739-Q741 PolarHBondContact O-N 3.28Å
740	D	35	Very low	37.7	Very low	134 Å²	134	123.5 Å²	123.5	72%	0.717	69%	0.687	S	S	*	*			trans	-75.6	84.3	172	-82.1	-23.2	0	0	0	105.7	S738 M742	S738-D740 PolarHBondContact O-N 3.13Å; D740-M742 PolarHBondContact O-N 2.97Å
741	Q	29.8	Very low	36.2	Very low	176 Å²	176	127 Å²	127	82%	0.822	71%	0.705	S	S	*	*			trans	-45.5	97.8	142.3	-70.7	-177.9	-5.8	0	0	105.8	N739 G743	N739-Q741 PolarHBondContact O-N 3.28Å; Q741-G743 PolarHBondContact O-N 3.35Å
742	M	30.4	Very low	34.8	Very low	175 Å²	175	125.5 Å²	125.5	86%	0.862	71%	0.711	S	S	*	*			trans	-52.7	100.3	161.8	-85.7	-173.8	175.4	0	0	105	D740 V744	D740-M742 PolarHBondContact O-N 2.97Å; M742-V744 VanDerWaalsContact C-N 3.34Å; M742-V744 PolarHBondContact O-N 2.9Å
743	G	28.2	Very low	33.7	Very low	55 Å²	55	128.5 Å²	128.5	57%	0.567	73%	0.732	S	S	*	*			trans	-52.8	109.1	166.8	0	0	0	0	0	105.1	Q741 W745	Q741-G743 PolarHBondContact O-N 3.35Å; G743-W745 PolarHBondContact O-N 3.34Å
744	V	27.3	Very low	32.6	Very low	135 Å²	135	130 Å²	130	82%	0.818	74%	0.743	S	S	*	*			trans	-58.4	99.7	162.7	176.4	0	0	0	0	103.9	M742	M742-V744 VanDerWaalsContact C-N 3.34Å; M742-V744 PolarHBondContact O-N 2.9Å
745	W	25.8	Very low	31.6	Very low	230 Å²	230	125.9 Å²	125.9	87%	0.871	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-57.3	125.4	168.2	-83.4	45.2	0	0	0	105.9	G743 G747	G743-W745 PolarHBondContact O-N 3.34Å; W745-G747 PolarHBondContact O-N 2.86Å
746	P	29.7	Very low	30.9	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-55.6	132.5	-178.2	-19	29.5	0	0	0	108.5	D748	P746-D748 PolarHBondContact O-N 3.18Å
747	G	28.5	Very low	30.5	Very low	63 Å²	63	131.2 Å²	131.2	65%	0.649	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-50.4	126.2	177.2	0	0	0	0	0	110.1	W745 D749	W745-G747 PolarHBondContact O-N 2.86Å; G747-D749 PolarHBondContact O-N 3.36Å
748	D	31.2	Very low	30.1	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	78%	0.784	S	S	*	*			trans	-63.9	94.8	156.5	-78.5	-42	0	0	0	106.4	P746 I750	P746-D748 PolarHBondContact O-N 3.18Å; D748-I750 VanDerWaalsContact C-N 3.26Å; D748-I750 PolarHBondContact O-N 3.07Å
749	D	29.3	Very low	29.7	Very low	156 Å²	156	134.5 Å²	134.5	83%	0.834	81%	0.805	S	S	*	*			trans	-53.6	93.3	162.1	-79.8	-40.8	0	0	0	107.9	G747 P751	G747-D749 PolarHBondContact O-N 3.36Å; D749-P751 WeakPolarHBondContact O-CD 3.2Å
750	I	31.6	Very low	29.7	Very low	155 Å²	155	133.6 Å²	133.6	80%	0.795	81%	0.805	S	S	*	*			trans	-68.5	112.6	162.4	-61.4	176.4	0	0	0	105.7	D748 G752	D748-I750 VanDerWaalsContact C-N 3.26Å; D748-I750 PolarHBondContact O-N 3.07Å; I750-G752 PolarHBondContact O-N 3.25Å
751	P	30.4	Very low	29.4	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	81%	0.81	S	S	*	*			trans	-65.6	126.8	-175.4	-15.9	30	0	0	0	109.5	D749 S753	D749-P751 WeakPolarHBondContact O-CD 3.2Å; P751-S753 PolarHBondContact O-N 3.2Å
752	G	28.2	Very low	29.3	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	81%	0.809	S	S	*	*			trans	-53.1	121.8	174.1	0	0	0	0	0	111.5	I750 S754	I750-G752 PolarHBondContact O-N 3.25Å; G752-S754 VanDerWaalsContact C-N 3.3Å; G752-S754 PolarHBondContact O-N 3.08Å; G752-S754 VanDerWaalsContact O-N 3.08Å
753	S	32.4	Very low	29.3	Very low	121 Å²	121	128 Å²	128	85%	0.846	81%	0.806	S	S	*	*			trans	-71.7	95.1	155	58	0	0	0	0	107.4	P751	P751-S753 PolarHBondContact O-N 3.2Å
754	S	30.6	Very low	29.3	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	82%	0.823	S	S	*	*			trans	-55.3	137.7	170.3	50.3	0	0	0	0	112.1	G752	G752-S754 VanDerWaalsContact C-N 3.3Å; G752-S754 PolarHBondContact O-N 3.08Å; G752-S754 VanDerWaalsContact O-N 3.08Å
755	S	25.1	Very low	29.5	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	82%	0.823	S	S	*	*			trans	-46.1	129.5	154.8	52.8	0	0	0	0	113.1
756	S	27.1	Very low	29.8	Very low	104 Å²	104	125 Å²	125	73%	0.727	82%	0.819	S	S	*	*			trans	-173.5	87.7	144.5	59.7	0	0	0	0	111.6
757	T	33.5	Very low	29.8	Very low	221 Å²	221	125.8 Å²	125.8	100%	1.356	83%	0.825	S	S	*	*				163.5	0	121.9	24.7	0	0	0	0	109.9

Retrieved 757 of 757 residues in 706.2 ms (Link to these results)

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