A0A087XEK5_POEFO Loading...

Short chain dehydrogenase/reductase family 42E, member 2

AlphaFold DB , UniProt , Accession A0A087XEK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 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	37.8	Very low	28.7	Very low	243 Å²	243	153.3 Å²	153.3	100%	1.197	85%	0.852	S	S	*	*				0	109.3	0	-88.3	166.6	78	0	0	108.3
2	Q	33.8	Very low	28.3	Very low	197 Å²	197	154.6 Å²	154.6	92%	0.921	86%	0.855	S	S	*	*			trans	30.7	104.3	161.1	-74.2	168	-20.6	0	0	120.3
3	Q	27.2	Very low	28	Very low	185 Å²	185	159.2 Å²	159.2	86%	0.864	85%	0.851	S	S	*	*			trans	-89.4	157.2	144.5	-80.3	180	-24.4	0	0	110.2
4	L	28.4	Very low	27.7	Very low	161 Å²	161	160.6 Å²	160.6	84%	0.843	86%	0.858	S	S	*	*			trans	130.2	154	152.4	-71.7	165.5	0	0	0	112.4
5	P	34.4	Very low	27.4	Very low	89 Å²	89	161.3 Å²	161.3	58%	0.578	85%	0.854	S	S	*	*			cis	-142.3	167.6	-43.5	36.3	-18.8	0	0	0	115
6	C	26.3	Very low	27.2	Very low	123 Å²	123	157.1 Å²	157.1	83%	0.831	85%	0.849	S	S	*	*			trans	-56.2	134.7	158.4	-64.9	0	0	0	0	111.9
7	H	25.6	Very low	26.9	Very low	180 Å²	180	155.8 Å²	155.8	83%	0.833	85%	0.853	S	S	*	*			trans	-111.1	99.9	162.6	-86.8	-67.1	0	0	0	110.4
8	S	25.1	Very low	26.7	Very low	112 Å²	112	150.8 Å²	150.8	78%	0.783	84%	0.844	S	S	*	*			trans	-82.6	125.2	155	38.6	0	0	0	0	108.8
9	A	25.8	Very low	26.5	Very low	100 Å²	100	151.8 Å²	151.8	83%	0.826	84%	0.84	S	S	*	*			trans	-105	140.1	171.4	0	0	0	0	0	110.3
10	P	27.3	Very low	26.4	Very low	119 Å²	119	153.9 Å²	153.9	77%	0.773	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-96.1	149.7	-167	25.6	-11.8	0	0	0	114.3	L12	P10-L12 PolarHBondContact O-N 2.69Å
11	L	24	Very low	26.2	Very low	177 Å²	177	151.7 Å²	151.7	93%	0.927	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-55.5	122.7	164.2	-81.4	147.4	0	0	0	111.3
12	L	24.2	Very low	25.6	Very low	169 Å²	169	149 Å²	149	89%	0.885	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-89	117.1	166.5	-114.7	118.3	0	0	0	110.2	P10	P10-L12 PolarHBondContact O-N 2.69Å
13	R	23.7	Very low	25.1	Very low	214 Å²	214	143.7 Å²	143.7	81%	0.808	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-62.1	135.8	164.1	-76.7	172.7	167.9	174.6	-3.5	110
14	L	24.4	Very low	25	Very low	179 Å²	179	142.9 Å²	142.9	94%	0.937	81%	0.805	S	S	*	*			trans	-114.5	107.9	152.7	-88.7	160.2	0	0	0	107.8
15	Q	23.7	Very low	24.8	Very low	171 Å²	171	139.7 Å²	139.7	80%	0.799	80%	0.796	S	S	*	*			trans	-83	145.3	173.6	-108.7	173.5	-47.9	0	0	110.2
16	A	23.5	Very low	24.4	Very low	94 Å²	94	142 Å²	142	78%	0.777	80%	0.803	S	S	*	*			trans	-69.8	142.4	168.4	0	0	0	0	0	112.5
17	C	22.7	Very low	24.4	Very low	135 Å²	135	143 Å²	143	91%	0.912	80%	0.799	S	S	*	*			trans	-143.9	133.5	148.1	-85.8	0	0	0	0	104.2
18	G	21.8	Very low	24.8	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	79%	0.789	S	S	*	*			cis	114.7	95.3	31.2	0	0	0	0	0	108.4
19	H	23.2	Very low	24.8	Very low	169 Å²	169	144.5 Å²	144.5	78%	0.782	79%	0.793	S	S	*	*			trans	37.9	128.1	156.5	-69.4	-66.8	0	0	0	122.2
20	H	24.8	Very low	24.9	Very low	193 Å²	193	149.1 Å²	149.1	89%	0.894	79%	0.794	S	S	*	*				-145.9	119.9	122.7	-101.2	-70.4	0	0	0	111.6
21	T	22.9	Very low	25	Very low	109 Å²	109	148.7 Å²	148.7	67%	0.669	79%	0.792	S	S	*	*			trans	-73.5	144.3	168.2	42	0	0	0	0	111.6
22	L	24.9	Very low	25	Very low	185 Å²	185	146.8 Å²	146.8	97%	0.969	79%	0.792	S	S	*	*			trans	-141	129.2	141.4	-95.4	169.3	0	0	0	109.7
23	S	22.4	Very low	25	Very low	86 Å²	86	146.6 Å²	146.6	60%	0.601	79%	0.791	S	S	*	*			trans	-103.4	163.2	-173.4	153.4	0	0	0	0	110.4
24	H	26.1	Very low	25.1	Very low	169 Å²	169	142.3 Å²	142.3	78%	0.782	79%	0.793	S	S	*	*			trans	121.1	130.5	155	-70.5	-67	0	0	0	112.5
25	S	24.3	Very low	25.2	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	79%	0.788	S	S	*	*			cis	-173.1	145.7	12.3	29.6	0	0	0	0	111
26	N	24.9	Very low	25.7	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	79%	0.787	S	S	*	*			trans	44.7	140.1	133.5	-64.8	-21.9	0	0	0	120.3
27	L	27.6	Very low	25.7	Very low	142 Å²	142	139.2 Å²	139.2	74%	0.743	79%	0.785	S	S	*	*			cis	176.6	-173.6	13.3	-100.1	161.2	0	0	0	104
28	P	33.3	Very low	25.9	Very low	95 Å²	95	139.4 Å²	139.4	62%	0.617	78%	0.782	S	S	*	*			cis	-135.3	164.3	-41.3	34.7	-16.4	0	0	0	115.7
29	R	25.8	Very low	26.1	Very low	230 Å²	230	142.4 Å²	142.4	87%	0.868	79%	0.786	S	S	*	*			trans	50.4	136.1	133.9	-65.1	177.1	179.4	-174.4	-1.1	120.5
30	K	27	Very low	26.1	Very low	197 Å²	197	138.4 Å²	138.4	86%	0.857	78%	0.783	S	S	*	*				-173.3	167.5	57.7	-120.1	-178.5	-170.3	-178.2	0	110.9
31	P	29.3	Very low	26	Very low	110 Å²	110	134.5 Å²	134.5	71%	0.714	78%	0.777	S	S	*	*			trans	-104.4	171.4	-168.3	40.3	-31.3	0	0	0	114.2
32	C	23.6	Very low	26.1	Very low	137 Å²	137	135 Å²	135	93%	0.926	79%	0.785	S	S	*	*			trans	-134.4	119.8	163.1	-81.4	0	0	0	0	111.9
33	L	25.4	Very low	26	Very low	165 Å²	165	129.9 Å²	129.9	86%	0.864	78%	0.776	S	S	*	*			trans	-87.6	146.5	160.7	-86.7	146	0	0	0	108.7
34	S	26.2	Very low	26.1	Very low	123 Å²	123	130.5 Å²	130.5	86%	0.86	79%	0.787	S	S	*	*				-179.7	117.7	129	28.7	0	0	0	0	111.5
35	D	25.4	Very low	26.2	Very low	155 Å²	155	128.9 Å²	128.9	83%	0.829	79%	0.788	S	S	*	*			trans	-78.1	158.3	147.5	-117.5	-24.4	0	0	0	108.2
36	P	33.5	Very low	26.4	Very low	121 Å²	121	130.3 Å²	130.3	79%	0.786	80%	0.795	S	S	*	*				-145.9	152.1	97.2	34.3	-16.1	0	0	0	116.4
37	S	23.6	Very low	26.5	Very low	104 Å²	104	127.8 Å²	127.8	73%	0.727	79%	0.794	S	S	*	*			trans	-63.8	145.5	168.2	50.8	0	0	0	0	115.9
38	V	26.8	Very low	26.4	Very low	139 Å²	139	129.5 Å²	129.5	84%	0.842	80%	0.803	S	S	*	*			trans	-150.5	113.7	144.3	-179.3	0	0	0	0	112.4
39	V	26	Very low	26	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	81%	0.813	S	S	*	*			trans	33.6	120.7	132.2	-168.6	0	0	0	0	123
40	A	24.2	Very low	26	Very low	86 Å²	86	132.3 Å²	132.3	71%	0.711	81%	0.808	S	S	*	*			trans	21.7	136.7	137.3	0	0	0	0	0	123
41	S	23.2	Very low	25.9	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	81%	0.807	S	S	*	*				170.6	133.4	105.6	50.5	0	0	0	0	114.2
42	S	23.6	Very low	26	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	81%	0.811	S	S	*	*			trans	22	137.9	140.8	64	0	0	0	0	122.1
43	G	23.7	Very low	26.1	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	81%	0.806	S	S	*	*			trans	150	100	141.7	0	0	0	0	0	117.7
44	A	25.4	Very low	26.2	Very low	99 Å²	99	129.6 Å²	129.6	82%	0.818	81%	0.805	S	S	*	*			trans	40.1	122.7	140.3	0	0	0	0	0	121.9
45	V	27.2	Very low	26.3	Very low	135 Å²	135	127.9 Å²	127.9	82%	0.818	80%	0.798	S	S	*	*			trans	-62.4	147.8	156.7	179.3	0	0	0	0	110.9
46	P	28.2	Very low	26.6	Very low	123 Å²	123	126.8 Å²	126.8	80%	0.799	80%	0.797	S	S	*	*				-130.4	142.7	127.9	20.1	-1.5	0	0	0	113.1
47	A	27.3	Very low	26.7	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	80%	0.802	S	S	*	*			trans	-78.3	141.4	172.2	0	0	0	0	0	111.2
48	L	24.8	Very low	27	Very low	178 Å²	178	124.5 Å²	124.5	93%	0.932	80%	0.801	S	S	*	*			trans	-152.9	135.1	153	-122.1	120.8	0	0	0	111.8
49	R	26.4	Very low	27.6	Very low	219 Å²	219	123.1 Å²	123.1	83%	0.826	79%	0.793	S	S	*	*			trans	-81.1	140.7	178.4	-68.5	172.8	169.7	177.3	-3.3	110.7
50	H	25.5	Very low	27.9	Very low	166 Å²	166	120 Å²	120	77%	0.769	78%	0.777	S	S	*	*				170.7	129.6	115.5	-100.8	-78	0	0	0	114.1
51	R	24.6	Very low	28.7	Very low	220 Å²	220	123.4 Å²	123.4	83%	0.83	78%	0.783	S	S	*	*			trans	48.9	111.3	137.1	-121.3	177	-166.1	173.5	2.7	122.3
52	V	30.6	Very low	29.4	Very low	131 Å²	131	120.8 Å²	120.8	79%	0.794	77%	0.765	S	S	*	*			trans	36.3	113.1	132.5	-169.3	0	0	0	0	119.4
53	S	26.2	Very low	30.2	Very low	120 Å²	120	120.4 Å²	120.4	84%	0.839	76%	0.759	S	S	*	*				-167.4	143.7	123.7	-81	0	0	0	0	110.4
54	G	28.8	Very low	30.6	Very low	81 Å²	81	121.7 Å²	121.7	84%	0.835	76%	0.755	S	S	*	*			trans	-74.4	151.8	-166.8	0	0	0	0	0	115.3
55	A	27.3	Very low	30.8	Very low	86 Å²	86	119.1 Å²	119.1	71%	0.711	73%	0.731	S	S	*	*			trans	-166.7	130.6	150.3	0	0	0	0	0	110.1
56	T	31.1	Very low	31.2	Very low	133 Å²	133	115.3 Å²	115.3	82%	0.816	71%	0.713	S	S	*	*			trans	53.4	119	146	54.6	0	0	0	0	119.6	G58	T56-G58 PolarHBondContact O-N 3.24Å
57	A	35.9	Very low	31.5	Very low	106 Å²	106	112.6 Å²	112.6	88%	0.876	70%	0.701	S	S	*	*			trans	-51.4	101.5	171.5	0	0	0	0	0	112.3
58	G	30.3	Very low	31.7	Very low	70 Å²	70	111.7 Å²	111.7	72%	0.722	69%	0.69	S	S	*	*			trans	-75	118.9	164.6	0	0	0	0	0	109.7	T56 C60	T56-G58 PolarHBondContact O-N 3.24Å; G58-C60 PolarHBondContact O-N 3.11Å; G58-C60 VanDerWaalsContact O-N 3.08Å
59	T	39.1	Very low	31.9	Very low	110 Å²	110	110.5 Å²	110.5	68%	0.675	67%	0.673	S	S	*	*			trans	-63.8	105.5	171.5	36.3	0	0	0	0	110.4	N61	T59-N61 PolarHBondContact O-N 3.35Å
60	C	32.9	Very low	32.2	Very low	64 Å²	64	105.8 Å²	105.8	43%	0.432	66%	0.664	S	S	.	*			trans	-73.2	117	166.8	-178.7	0	0	0	0	109.7	G58 S62 C65	G58-C60 PolarHBondContact O-N 3.11Å; G58-C60 VanDerWaalsContact O-N 3.08Å; C60-S62 VanDerWaalsContact C-N 3.29Å; C60-S62 PolarHBondContact O-N 3.44Å; C60-S62 VanDerWaalsContact SG-CB 3.56Å; C60-C65 HydrophobicContact CB-CB 4.27Å; C60-C65 VanDerWaalsContact SG-SG 3.6Å
61	N	40.1	Very low	32.4	Very low	158 Å²	158	100.5 Å²	100.5	85%	0.845	65%	0.654	S	S	*	*			trans	-91.5	28.6	175.3	-81.5	-4.6	0	0	0	113	T59	T59-N61 PolarHBondContact O-N 3.35Å
62	S	38.7	Very low	32.6	Very low	54 Å²	54	98.2 Å²	98.2	38%	0.378	65%	0.652	S	S	.	*			trans	-82.7	137.1	173.3	-178.8	0	0	0	0	110.8	C60 C64 C65	C60-S62 VanDerWaalsContact C-N 3.29Å; C60-S62 PolarHBondContact O-N 3.44Å; C60-S62 VanDerWaalsContact SG-CB 3.56Å; S62-C64 PolarHBondContact O-N 3.25Å; S62-C65 PolarHBondContact O-N 2.8Å
63	P	39.1	Very low	32.5	Very low	114 Å²	114	100.1 Å²	100.1	74%	0.74	65%	0.653	S	S	*	*	H	α-helix	trans	-56.2	-26.1	179.4	-8.5	10.1	0	0	0	113.7
64	C	33.1	Very low	33.1	Very low	102 Å²	102	98.4 Å²	98.4	69%	0.689	64%	0.637	S	S	*	*	H	α-helix	trans	-71.5	-27	176.8	-78.4	0	0	0	0	113.9	S62	S62-C64 PolarHBondContact O-N 3.25Å
65	C	30.3	Very low	33.3	Very low	45 Å²	45	97.1 Å²	97.1	30%	0.304	62%	0.624	S	S	.	*	H	α-helix	trans	-83.6	-19.4	178.9	-77.2	0	0	0	0	113.4	C60 S62 S68	C60-C65 HydrophobicContact CB-CB 4.27Å; C60-C65 VanDerWaalsContact SG-SG 3.6Å; S62-C65 PolarHBondContact O-N 2.8Å; C65-S68 WeakPolarHBondContact CA-OG 3.36Å; C65-S68 PolarHBondContact O-OG 2.78Å
66	A	34.6	Very low	33.7	Very low	55 Å²	55	99.5 Å²	99.5	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-73.5	-38.3	171.5	0	0	0	0	0	111	S68 R69 L70	A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.89Å; A66-R69 PolarHBondContact O-N 2.73Å; A66-L70 PolarHBondContact O-N 3.06Å; A66-L70 VanDerWaalsContact O-N 3.13Å
67	A	34.6	Very low	34	Very low	66 Å²	66	97.7 Å²	97.7	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-64	-35.4	175.6	0	0	0	0	0	112.9	G71	A67-G71 PolarHBondContact O-N 3.31Å
68	S	32.4	Very low	34.1	Very low	68 Å²	68	96.8 Å²	96.8	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-74	-27.7	178.2	53.9	0	0	0	0	114	C65 A66	C65-S68 WeakPolarHBondContact CA-OG 3.36Å; C65-S68 PolarHBondContact O-OG 2.78Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.89Å
69	R	28.3	Very low	34.7	Very low	152 Å²	152	95.2 Å²	95.2	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-78.1	-36.8	173.4	-74.1	-171	-125.8	-158.8	1.7	112.2	A66 G71 Q72	A66-R69 PolarHBondContact O-N 2.73Å; R69-G71 VanDerWaalsContact C-N 3.26Å; R69-G71 PolarHBondContact O-N 2.97Å; R69-Q72 PolarHBondContact O-N 3.35Å
70	L	33	Very low	35	Very low	121 Å²	121	95.1 Å²	95.1	63%	0.634	59%	0.588	S	S	*	*	H	α-helix	trans	-68.7	-24	171.4	-79	159	0	0	0	112.8	A66 V74	A66-L70 PolarHBondContact O-N 3.06Å; A66-L70 VanDerWaalsContact O-N 3.13Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å
71	G	29.6	Very low	35.6	Very low	54 Å²	54	95 Å²	95	56%	0.557	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-17.2	177	0	0	0	0	0	115.4	A67 R69	A67-G71 PolarHBondContact O-N 3.31Å; R69-G71 VanDerWaalsContact C-N 3.26Å; R69-G71 PolarHBondContact O-N 2.97Å
72	Q	28.6	Very low	36	Very low	172 Å²	172	92.2 Å²	92.2	80%	0.804	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-15.4	-178.8	-96.7	-179.8	-22.9	0	0	114.3	R69	R69-Q72 PolarHBondContact O-N 3.35Å
73	E	29.6	Very low	37.4	Very low	172 Å²	172	98.7 Å²	98.7	80%	0.804	60%	0.601	S	S	*	*	S	Bend	trans	-98.8	-0.5	175.6	-71.6	-175.3	164.3	0	0	113.7
74	V	37.9	Very low	39.7	Very low	84 Å²	84	93.7 Å²	93.7	51%	0.509	57%	0.57	S	S	.	*			trans	-100.5	6.4	179.1	-175.8	0	0	0	0	112.4	L70	L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å
75	G	33.3	Very low	42.7	Very low	54 Å²	54	92 Å²	92	56%	0.557	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	115.9	163.6	0	0	0	0	0	109.4
76	T	36.5	Very low	46	Very low	136 Å²	136	90 Å²	90	83%	0.834	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	61.8	-176.3	76.2	0	0	0	0	115.3	A78	T76-A78 PolarHBondContact O-N 3.02Å
77	A	35.4	Very low	49	Very low	95 Å²	95	87.4 Å²	87.4	79%	0.785	52%	0.516	S	S	*	.			trans	-62.9	93.5	147.7	0	0	0	0	0	106.7	W79	A77-W79 PolarHBondContact O-N 3.13Å; A77-W79 VanDerWaalsContact O-N 3.1Å
78	A	38.5	Very low	52.1	Low	86 Å²	86	84.3 Å²	84.3	71%	0.711	49%	0.49	S	S	*	.			trans	-55.9	117.9	177.7	0	0	0	0	0	108.1	T76 D80	T76-A78 PolarHBondContact O-N 3.02Å; A78-D80 PolarHBondContact O-N 3.28Å
79	W	42.9	Very low	55.3	Low	38 Å²	38	81 Å²	81	14%	0.144	47%	0.468	C	S	.	.			trans	-50.6	116	163.6	178.1	-105.1	0	0	0	107.1	A77 S81 E106 M108 K306 A309 E310	A77-W79 PolarHBondContact O-N 3.13Å; A77-W79 VanDerWaalsContact O-N 3.1Å; W79-S81 PolarHBondContact O-N 3.3Å; W79-E106 WeakPolarHBondContact CB-OE1 3.26Å; W79-M108 HydrophobicContact CZ2-CE 4.12Å; W79-M108 HydrophobicContact CZ2-SD 4.32Å; W79-M108 VanDerWaalsContact NE1-CE 3.33Å; W79-K306 HydrophobicContact CE3-CB 4.36Å; W79-K306 WeakPolarHBondContact CH2-O 3.41Å; W79-K306 HydrophobicContact CZ3-CB 3.98Å; W79-K306 WeakPolarHBondContact CZ3-O 3.35Å; W79-A309 HydrophobicContact CH2-CB 4.29Å; W79-E310 HydrophobicContact CE3-CB 4.47Å; W79-E310 HydrophobicContact CH2-CB 3.86Å; W79-E310 HydrophobicContact CH2-CG 4.46Å; W79-E310 HydrophobicContact CZ3-CB 3.57Å; W79-E310 HydrophobicContact CZ3-CG 4.12Å
80	D	46.2	Very low	58.6	Low	108 Å²	108	74.3 Å²	74.3	58%	0.578	45%	0.445	S	S	*	.			trans	-69.5	90.5	176.8	-133.1	3.1	0	0	0	106.2	A78 C82 K315	A78-D80 PolarHBondContact O-N 3.28Å; D80-C82 VanDerWaalsContact C-N 3.33Å; D80-C82 PolarHBondContact O-N 3.38Å; D80-K315 IonicContact OD2-NZ 2.95Å; D80-K315 PolarHBondContact OD2-NZ 3.33Å
81	S	44.2	Very low	61.6	Low	61 Å²	61	68.5 Å²	68.5	43%	0.427	42%	0.415	S	S	.	.			trans	-57.9	89.7	-172.1	144.3	0	0	0	0	109.9	W79 K83	W79-S81 PolarHBondContact O-N 3.3Å; S81-K83 PolarHBondContact O-N 3.05Å
82	C	48.7	Very low	64.8	Low	100 Å²	100	66.5 Å²	66.5	68%	0.676	39%	0.394	S	S	*	.			trans	-69.4	117.2	147.8	-73.9	0	0	0	0	106	D80 G84	D80-C82 VanDerWaalsContact C-N 3.33Å; D80-C82 PolarHBondContact O-N 3.38Å; C82-G84 PolarHBondContact O-N 3.09Å
83	K	69.4	Low	67.9	Low	189 Å²	189	59.7 Å²	59.7	82%	0.822	37%	0.37	S	S	*	.			trans	-61.4	56.1	170.5	-63.5	178.3	176.8	-179.8	0	111.3	S81	S81-K83 PolarHBondContact O-N 3.05Å
84	G	86.7	Confident	71	Confident	9 Å²	9	53.5 Å²	53.5	9%	0.093	34%	0.34	C	S	.	.			trans	-86.8	156.9	-174.9	0	0	0	0	0	111.3	C82 T109 D147	C82-G84 PolarHBondContact O-N 3.09Å; G84-T109 PolarHBondContact O-N 3.35Å; G84-T109 VanDerWaalsContact O-N 3.07Å; G84-D147 WeakPolarHBondContact CA-OD2 3.42Å
85	K	96.9	Very high	73.8	Confident	67 Å²	67	50.4 Å²	50.4	29%	0.291	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.8	172.9	-174.4	178.5	178	-170.2	0	108.9	T109 E144 G145 V146 D147	K85-T109 CarbonylContact C-O 3.52Å; K85-T109 VanDerWaalsContact CA-O 3.32Å; K85-T109 WeakPolarHBondContact CA-O 3.5Å; K85-T109 HydrophobicContact CG-CG2 4.18Å; K85-E144 PolarHBondContact NZ-O 3.47Å; K85-G145 WeakPolarHBondContact CB-O 3.24Å; K85-V146 HydrophobicContact CG-CG2 4.39Å; K85-D147 PolarHBondContact N-OD2 3.33Å; K85-D147 PolarHBondContact O-N 3.1Å
86	V	98.4	Very high	76.9	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.8	-175.7	-59.4	0	0	0	0	111.2	L103 M108 T109 V110 I111 C148 F150	V86-L103 HydrophobicContact CG2-CD1 4.12Å; V86-M108 HydrophobicContact CG1-SD 4.12Å; V86-M108 HydrophobicContact CG2-CB 4.42Å; V86-T109 PolarHBondContact N-O 3.22Å; V86-V110 HydrophobicContact CG2-CB 4.29Å; V86-V110 HydrophobicContact CG2-CG1 4.33Å; V86-V110 HydrophobicContact CG2-CG2 3.78Å; V86-I111 PolarHBondContact O-N 3.42Å; V86-C148 WeakPolarHBondContact CA-O 3.24Å; V86-C148 HydrophobicContact CG1-CB 4.17Å; V86-F150 HydrophobicContact CB-CD2 4.41Å; V86-F150 HydrophobicContact CB-CE2 4.15Å; V86-F150 HydrophobicContact CG1-CE2 4.23Å
87	L	98.8	Very high	79.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.2	175.2	175.3	68.7	0	0	0	109.5	T89 I111 L113 L139 V142 C143 V146 C148 I149 F150	L87-T89 HydrophobicContact CD2-CG2 4.29Å; L87-T89 HydrophobicContact CG-CG2 4.38Å; L87-I111 HydrophobicContact CD1-CB 3.67Å; L87-I111 HydrophobicContact CD1-CG2 3.49Å; L87-I111 VanDerWaalsContact CD1-CG2 3.49Å; L87-L113 HydrophobicContact CD1-CB 3.68Å; L87-L113 HydrophobicContact CD1-CD2 4.36Å; L87-L139 HydrophobicContact CD2-CD1 4.29Å; L87-V142 HydrophobicContact CD1-CG1 3.86Å; L87-C143 WeakPolarHBondContact CD2-SG 3.49Å; L87-V146 HydrophobicContact CB-CG1 3.94Å; L87-V146 HydrophobicContact CB-CG2 4.21Å; L87-C148 PolarHBondContact N-O 2.97Å; L87-I149 HydrophobicContact CB-CG1 4.2Å; L87-I149 HydrophobicContact CD2-CD1 4Å; L87-I149 HydrophobicContact CD2-CG1 4.18Å; L87-I149 HydrophobicContact CD2-CG2 4.48Å; L87-I149 CarbonylContact O-C 3.24Å; L87-I149 WeakPolarHBondContact O-CA 3.47Å; L87-F150 PolarHBondContact O-N 3.38Å
88	V	98.8	Very high	82.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	103.6	170.9	-172	0	0	0	0	108.3	G91 L99 L103 V110 I111 L112 L113 F150 T152	V88-G91 PolarHBondContact O-N 3.08Å; V88-L99 HydrophobicContact CG1-CD2 4.4Å; V88-L103 HydrophobicContact CG2-CD1 4.08Å; V88-V110 HydrophobicContact CG2-CG1 4.19Å; V88-I111 PolarHBondContact N-O 2.88Å; V88-L112 HydrophobicContact CB-CD2 4.29Å; V88-L113 PolarHBondContact O-N 2.81Å; V88-F150 WeakPolarHBondContact CA-O 3.39Å; V88-F150 HydrophobicContact CG1-CB 4.39Å; V88-F150 HydrophobicContact CG2-CB 4.24Å; V88-F150 HydrophobicContact CG2-CD2 4.28Å; V88-T152 HydrophobicContact CG1-CG2 4.13Å
89	T	98.8	Very high	85.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.6	170.8	71.8	0	0	0	0	108.9	L87 L113 I133 I149 F150 H151 T152 A153 V179	L87-T89 HydrophobicContact CD2-CG2 4.29Å; L87-T89 HydrophobicContact CG-CG2 4.38Å; T89-L113 CarbonylContact C-O 3.15Å; T89-L113 WeakPolarHBondContact CA-O 3.47Å; T89-L113 HydrophobicContact CG2-CD2 4.36Å; T89-I133 HydrophobicContact CG2-CG2 4.11Å; T89-I149 HydrophobicContact CG2-CG2 4.2Å; T89-F150 PolarHBondContact N-O 3.29Å; T89-H151 VanDerWaalsContact OG1-CA 3.32Å; T89-H151 WeakPolarHBondContact OG1-CA 3.3Å; T89-H151 PolarHBondContact OG1-ND1 3.28Å; T89-T152 CarbonylContact O-C 3.56Å; T89-T152 WeakPolarHBondContact O-CA 3.46Å; T89-T152 PolarHBondContact O-N 2.82Å; T89-T152 PolarHBondContact O-OG1 3.38Å; T89-T152 PolarHBondContact OG1-N 3.23Å; T89-A153 PolarHBondContact O-N 2.85Å; T89-A153 WeakPolarHBondContact OG1-CB 3.39Å; T89-A153 PolarHBondContact OG1-N 3.25Å; T89-V179 HydrophobicContact CG2-CG2 4.35Å
90	G	97.7	Very high	88.3	Confident	10 Å²	10	35.4 Å²	35.4	10%	0.103	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	20	-169.8	0	0	0	0	0	111.6	G92 G93 L113 D114	G90-G92 PolarHBondContact O-N 2.85Å; G90-G93 PolarHBondContact O-N 2.81Å; G90-L113 PolarHBondContact N-O 3.45Å; G90-D114 WeakPolarHBondContact CA-OD2 3.32Å
91	G	97.5	Very high	90.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.7	-175.6	0	0	0	0	0	114.3	V88 F97 L113	V88-G91 PolarHBondContact O-N 3.08Å; G91-F97 VanDerWaalsContact O-CA 3.3Å; G91-F97 WeakPolarHBondContact O-CA 3.27Å; G91-F97 WeakPolarHBondContact O-CB 2.96Å; G91-F97 PolarHBondContact O-N 3.26Å; G91-L113 PolarHBondContact N-O 2.57Å
92	G	96.2	Very high	93.3	Very high	11 Å²	11	35 Å²	35	11%	0.113	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.3	171.1	0	0	0	0	0	112.9	G90 D114	G90-G92 PolarHBondContact O-N 2.85Å; G92-D114 WeakPolarHBondContact CA-OD2 3.47Å; G92-D114 PolarHBondContact N-OD2 3.37Å
93	G	94.7	Very high	95.6	Very high	29 Å²	29	30.2 Å²	30.2	30%	0.299	15%	0.147	S	C	.	.	S	Bend	trans	-78.7	167.7	178.3	0	0	0	0	0	114.1	G90 F95 F97 D114	G90-G93 PolarHBondContact O-N 2.81Å; G93-F95 PolarHBondContact O-N 2.86Å; G93-F97 WeakPolarHBondContact O-CB 3.35Å; G93-F97 PolarHBondContact O-N 2.9Å; G93-D114 PolarHBondContact N-OD2 3.11Å
94	Y	94.4	Very high	96.9	Very high	42 Å²	42	21.6 Å²	21.6	17%	0.165	11%	0.11	C	C	.	.	H	α-helix	trans	-51.3	-56.8	-177	172.4	-127.4	0	0	0	113.6	R98 W120 I261 G263 P264 G265 E266 I298	Y94-R98 PolarHBondContact O-N 3.34Å; Y94-W120 HydrophobicContact CD2-CH2 4.32Å; Y94-I261 HydrophobicContact CE1-CG2 4.14Å; Y94-G263 WeakPolarHBondContact OH-CA 3.37Å; Y94-G263 PolarHBondContact OH-O 3.48Å; Y94-G263 VanDerWaalsContact OH-O 3.04Å; Y94-P264 WeakPolarHBondContact CE2-O 3.26Å; Y94-G265 VanDerWaalsContact CD2-O 3.29Å; Y94-G265 WeakPolarHBondContact CD2-O 3.25Å; Y94-G265 WeakPolarHBondContact CE2-O 3.44Å; Y94-E266 HydrophobicContact CD1-CB 4.25Å; Y94-E266 HydrophobicContact CD1-CG 4.02Å; Y94-E266 HydrophobicContact CE1-CB 3.62Å; Y94-E266 HydrophobicContact CE1-CG 3.61Å; Y94-E266 HydrophobicContact CE2-CB 4.36Å; Y94-E266 VanDerWaalsContact CE2-N 3.26Å; Y94-I298 HydrophobicContact CD1-CD1 4.03Å; Y94-I298 HydrophobicContact CD2-CD1 3.89Å; Y94-I298 HydrophobicContact CE1-CB 4.42Å; Y94-I298 HydrophobicContact CE1-CD1 3.6Å; Y94-I298 HydrophobicContact CE1-CG1 4.41Å; Y94-I298 HydrophobicContact CE2-CD1 3.42Å; Y94-I298 VanDerWaalsContact CE2-CD1 3.42Å; Y94-I298 HydrophobicContact CG-CD1 4.17Å; Y94-I298 WeakPolarHBondContact OH-CG2 3.42Å
95	F	96.8	Very high	97.3	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.083	14%	0.135	C	C	.	.	H	α-helix	trans	-72.1	-50.1	-178.9	171.6	-116.4	0	0	0	112.5	G93 F97 R98 L99 T152 T194 I298 L301 V302 H305	G93-F95 PolarHBondContact O-N 2.86Å; F95-F97 VanDerWaalsContact C-N 3.3Å; F95-F97 PolarHBondContact O-N 2.99Å; F95-R98 PolarHBondContact O-N 3.37Å; F95-R98 VanDerWaalsContact O-N 3.14Å; F95-L99 HydrophobicContact CE1-CD2 4.3Å; F95-L99 HydrophobicContact CE2-CB 4.33Å; F95-L99 HydrophobicContact CZ-CB 4.28Å; F95-L99 HydrophobicContact CZ-CD2 4.01Å; F95-L99 PolarHBondContact O-N 2.84Å; F95-T152 HydrophobicContact CD1-CG2 3.93Å; F95-T152 HydrophobicContact CE1-CG2 3.58Å; F95-T194 HydrophobicContact CD1-CG2 4.43Å; F95-T194 HydrophobicContact CE1-CG2 4.16Å; F95-I298 HydrophobicContact CD2-CG1 4.21Å; F95-L301 HydrophobicContact CD1-CD2 4.41Å; F95-L301 HydrophobicContact CD2-CB 4.48Å; F95-L301 HydrophobicContact CD2-CD2 3.69Å; F95-L301 HydrophobicContact CD2-CG 4.05Å; F95-L301 HydrophobicContact CE1-CD2 4.37Å; F95-L301 HydrophobicContact CE2-CB 4.02Å; F95-L301 HydrophobicContact CE2-CD2 3.66Å; F95-L301 HydrophobicContact CE2-CG 3.5Å; F95-L301 HydrophobicContact CG-CD2 4.11Å; F95-L301 HydrophobicContact CZ-CD2 4.03Å; F95-L301 HydrophobicContact CZ-CG 3.82Å; F95-V302 HydrophobicContact CD2-CG2 4.41Å; F95-V302 HydrophobicContact CE2-CG2 3.88Å; F95-H305 AromaticContact CE1-CE1 3.64Å; F95-H305 AromaticContact CE1-NE2 3.58Å; F95-H305 HydrophobicContact CZ-CB 4.5Å; F95-H305 AromaticContact CZ-CD2 3.82Å; F95-H305 AromaticContact CZ-CE1 3.35Å; F95-H305 WeakPolarHBondContact CZ-CE1 3.35Å; F95-H305 AromaticContact CZ-CG 3.67Å; F95-H305 AromaticContact CZ-ND1 3.37Å; F95-H305 WeakPolarHBondContact CZ-ND1 3.16Å; F95-H305 AromaticContact CZ-NE2 3.64Å
96	G	97.6	Very high	97.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-39.3	-176.8	0	0	0	0	0	112.8	L99 G100	G96-L99 PolarHBondContact O-N 3.34Å; G96-G100 PolarHBondContact O-N 2.67Å
97	F	97.8	Very high	97	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-45.6	175.2	-176.1	-93.5	0	0	0	112.1	G91 G93 F95 L99 G100 K101 L112 P118 W120 D121	G91-F97 VanDerWaalsContact O-CA 3.3Å; G91-F97 WeakPolarHBondContact O-CA 3.27Å; G91-F97 WeakPolarHBondContact O-CB 2.96Å; G91-F97 PolarHBondContact O-N 3.26Å; G93-F97 WeakPolarHBondContact O-CB 3.35Å; G93-F97 PolarHBondContact O-N 2.9Å; F95-F97 VanDerWaalsContact C-N 3.3Å; F95-F97 PolarHBondContact O-N 2.99Å; F97-L99 VanDerWaalsContact C-N 3.35Å; F97-L99 PolarHBondContact O-N 3.34Å; F97-G100 PolarHBondContact O-N 2.95Å; F97-K101 HydrophobicContact CE1-CD 4.45Å; F97-K101 WeakPolarHBondContact O-CB 3.32Å; F97-K101 PolarHBondContact O-N 2.86Å; F97-L112 HydrophobicContact CD2-CD1 3.89Å; F97-L112 HydrophobicContact CE2-CD1 4Å; F97-P118 HydrophobicContact CD2-CB 3.44Å; F97-P118 VanDerWaalsContact CD2-CB 3.44Å; F97-P118 HydrophobicContact CD2-CG 4.03Å; F97-P118 HydrophobicContact CE2-CB 3.74Å; F97-P118 HydrophobicContact CE2-CG 4.06Å; F97-P118 HydrophobicContact CG-CB 4.28Å; F97-W120 HydrophobicContact CB-CE3 4.13Å; F97-W120 HydrophobicContact CB-CZ3 4.15Å; F97-W120 HydrophobicContact CD1-CB 4.11Å; F97-W120 AromaticContact CD1-CD2 3.91Å; F97-W120 HydrophobicContact CD1-CD2 3.91Å; F97-W120 AromaticContact CD1-CE3 3.56Å; F97-W120 HydrophobicContact CD1-CE3 3.56Å; F97-W120 HydrophobicContact CD1-CG 4.17Å; F97-W120 HydrophobicContact CD1-CZ3 4.27Å; F97-W120 HydrophobicContact CD2-CE3 4.34Å; F97-W120 HydrophobicContact CE1-CB 3.39Å; F97-W120 HydrophobicContact CE1-CD2 4.08Å; F97-W120 HydrophobicContact CE1-CE3 4.09Å; F97-W120 AromaticContact CE1-CG 3.83Å; F97-W120 HydrophobicContact CE1-CG 3.83Å; F97-W120 HydrophobicContact CE2-CB 4.2Å; F97-W120 HydrophobicContact CG-CD2 4.5Å; F97-W120 AromaticContact CG-CE3 3.72Å; F97-W120 HydrophobicContact CG-CE3 3.72Å; F97-W120 HydrophobicContact CG-CZ3 4.25Å; F97-W120 HydrophobicContact CZ-CB 3.45Å; F97-W120 VanDerWaalsContact CZ-CB 3.45Å; F97-W120 HydrophobicContact CZ-CG 4.36Å; F97-D121 WeakPolarHBondContact CZ-O 3.42Å
98	R	97.8	Very high	96.8	Very high	82 Å²	82	26.5 Å²	26.5	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-61.8	-43.2	178.4	-174.1	69.6	170.9	162.8	-4.3	111.5	Y94 F95 K101 E102 I298 D299 V302	Y94-R98 PolarHBondContact O-N 3.34Å; F95-R98 PolarHBondContact O-N 3.37Å; F95-R98 VanDerWaalsContact O-N 3.14Å; R98-K101 PolarHBondContact O-N 3.25Å; R98-E102 PolarHBondContact O-N 2.94Å; R98-I298 HydrophobicContact CB-CD1 3.54Å; R98-I298 HydrophobicContact CB-CG1 4.14Å; R98-I298 HydrophobicContact CG-CD1 3.74Å; R98-I298 HydrophobicContact CG-CG1 3.93Å; R98-D299 IonicContact CZ-OD1 2.67Å; R98-D299 IonicContact NE-OD1 3.22Å; R98-D299 PolarHBondContact NE-OD1 2.87Å; R98-D299 IonicContact NH2-OD1 3.49Å; R98-D299 PolarHBondContact NH2-OD1 2.95Å; R98-D299 IonicContact NH2-OD2 3.42Å; R98-D299 PolarHBondContact NH2-OD2 3.27Å; R98-V302 HydrophobicContact CB-CG2 4.35Å; R98-V302 HydrophobicContact CG-CG2 3.88Å
99	L	98.5	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-51.2	174.8	175.5	60.2	0	0	0	111.1	V88 F95 G96 F97 K101 E102 L103 F150 T152 V302 H305	V88-L99 HydrophobicContact CG1-CD2 4.4Å; F95-L99 HydrophobicContact CE1-CD2 4.3Å; F95-L99 HydrophobicContact CE2-CB 4.33Å; F95-L99 HydrophobicContact CZ-CB 4.28Å; F95-L99 HydrophobicContact CZ-CD2 4.01Å; F95-L99 PolarHBondContact O-N 2.84Å; G96-L99 PolarHBondContact O-N 3.34Å; F97-L99 VanDerWaalsContact C-N 3.35Å; F97-L99 PolarHBondContact O-N 3.34Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3Å; L99-E102 PolarHBondContact O-N 2.87Å; L99-L103 HydrophobicContact CD1-CD1 3.89Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4.03Å; L99-L103 HydrophobicContact CG-CD1 3.81Å; L99-L103 HydrophobicContact CG-CG 4.39Å; L99-L103 VanDerWaalsContact O-CG 3.24Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 3.4Å; L99-F150 HydrophobicContact CD2-CB 3.82Å; L99-F150 HydrophobicContact CD2-CD1 3.79Å; L99-F150 HydrophobicContact CD2-CG 3.85Å; L99-T152 HydrophobicContact CD2-CG2 4.17Å; L99-V302 HydrophobicContact CB-CG2 4.25Å; L99-V302 HydrophobicContact CD1-CG1 4.02Å; L99-H305 HydrophobicContact CD1-CB 3.96Å; L99-H305 HydrophobicContact CD2-CB 4.14Å
100	G	98.1	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-34.9	179.7	0	0	0	0	0	113.5	G96 F97 L103 A104	G96-G100 PolarHBondContact O-N 2.67Å; F97-G100 PolarHBondContact O-N 2.95Å; G100-L103 PolarHBondContact O-N 3.32Å; G100-A104 WeakPolarHBondContact O-CB 3.44Å; G100-A104 PolarHBondContact O-N 3.07Å
101	K	97.6	Very high	96.8	Very high	99 Å²	99	29.9 Å²	29.9	43%	0.43	17%	0.173	S	C	.	.	H	α-helix	trans	-62.3	-46.2	173	179	179.1	178.5	175.3	0	112.3	F97 R98 L99 A104 S105 P123	F97-K101 HydrophobicContact CE1-CD 4.45Å; F97-K101 WeakPolarHBondContact O-CB 3.32Å; F97-K101 PolarHBondContact O-N 2.86Å; R98-K101 PolarHBondContact O-N 3.25Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3Å; K101-A104 PolarHBondContact O-N 3.12Å; K101-S105 PolarHBondContact O-N 3.42Å; K101-P123 HydrophobicContact CB-CG 4.12Å; K101-P123 HydrophobicContact CG-CB 4.3Å; K101-P123 HydrophobicContact CG-CG 4.15Å
102	E	97.4	Very high	96.8	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	17%	0.173	S	C	.	.	H	α-helix	trans	-62.4	-47.9	177.4	-176.6	67.9	-172.5	0	0	110.8	R98 L99 A104 S105 E106 V302 K306	R98-E102 PolarHBondContact O-N 2.94Å; L99-E102 PolarHBondContact O-N 2.87Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.45Å; E102-S105 PolarHBondContact O-N 3.27Å; E102-S105 VanDerWaalsContact O-N 3.13Å; E102-S105 PolarHBondContact O-OG 3.26Å; E102-E106 PolarHBondContact O-N 3.3Å; E102-V302 HydrophobicContact CB-CG1 3.64Å; E102-V302 HydrophobicContact CG-CG1 3.62Å; E102-K306 HydrophobicContact CG-CD 3.75Å; E102-K306 IonicContact OE1-NZ 3.74Å; E102-K306 PolarHBondContact OE1-NZ 3.1Å
103	L	97.4	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-40.3	179	-65.5	168	0	0	0	112.1	V86 V88 L99 G100 E106 M108 V110 F150 K306	V86-L103 HydrophobicContact CG2-CD1 4.12Å; V88-L103 HydrophobicContact CG2-CD1 4.08Å; L99-L103 HydrophobicContact CD1-CD1 3.89Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4.03Å; L99-L103 HydrophobicContact CG-CD1 3.81Å; L99-L103 HydrophobicContact CG-CG 4.39Å; L99-L103 VanDerWaalsContact O-CG 3.24Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 3.4Å; G100-L103 PolarHBondContact O-N 3.32Å; L103-E106 PolarHBondContact O-N 2.94Å; L103-M108 HydrophobicContact CB-CE 3.86Å; L103-M108 HydrophobicContact CB-SD 4.48Å; L103-M108 HydrophobicContact CD2-CE 3.27Å; L103-M108 HydrophobicContact CD2-SD 4.03Å; L103-M108 HydrophobicContact CG-CE 4.16Å; L103-M108 WeakPolarHBondContact O-CB 3.49Å; L103-M108 PolarHBondContact O-N 2.9Å; L103-V110 HydrophobicContact CB-CG2 3.8Å; L103-F150 HydrophobicContact CD1-CD2 3.83Å; L103-F150 HydrophobicContact CD1-CE2 3.54Å; L103-F150 HydrophobicContact CD1-CZ 4.04Å; L103-F150 HydrophobicContact CD2-CE2 4.25Å; L103-F150 HydrophobicContact CD2-CZ 4.11Å; L103-K306 HydrophobicContact CD2-CG 3.98Å
104	A	97	Very high	97.1	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-38.3	177.6	0	0	0	0	0	112.1	G100 K101 E102 E106 G107 V110 P123 D124 A126	G100-A104 WeakPolarHBondContact O-CB 3.44Å; G100-A104 PolarHBondContact O-N 3.07Å; K101-A104 PolarHBondContact O-N 3.12Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.45Å; A104-E106 PolarHBondContact O-N 3.19Å; A104-G107 PolarHBondContact O-N 3.01Å; A104-V110 HydrophobicContact CB-CB 4.42Å; A104-V110 HydrophobicContact CB-CG2 3.84Å; A104-P123 HydrophobicContact CB-CG 4.3Å; A104-D124 WeakPolarHBondContact CB-O 3.28Å; A104-A126 HydrophobicContact CB-CB 4.22Å
105	S	95.9	Very high	97.3	Very high	88 Å²	88	30.5 Å²	30.5	62%	0.615	17%	0.172	S	C	*	.	H	α-helix	trans	-64.1	-21.4	176.3	76.1	0	0	0	0	113.6	K101 E102 G107	K101-S105 PolarHBondContact O-N 3.42Å; E102-S105 PolarHBondContact O-N 3.27Å; E102-S105 VanDerWaalsContact O-N 3.13Å; E102-S105 PolarHBondContact O-OG 3.26Å; S105-G107 VanDerWaalsContact C-N 3.29Å
106	E	93.8	Very high	97.1	Very high	41 Å²	41	33 Å²	33	19%	0.192	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	7.3	173.2	-63.5	-175.6	145.3	0	0	113.4	W79 E102 L103 A104 M108 K306	W79-E106 WeakPolarHBondContact CB-OE1 3.26Å; E102-E106 PolarHBondContact O-N 3.3Å; L103-E106 PolarHBondContact O-N 2.94Å; A104-E106 PolarHBondContact O-N 3.19Å; E106-M108 HydrophobicContact CB-CE 4.11Å; E106-M108 WeakPolarHBondContact OE2-CE 3.42Å; E106-K306 VanDerWaalsContact CD-CE 3.4Å; E106-K306 VanDerWaalsContact CD-NZ 3.29Å; E106-K306 WeakPolarHBondContact OE1-CE 3.47Å; E106-K306 IonicContact OE1-NZ 3.12Å; E106-K306 PolarHBondContact OE1-NZ 3.34Å; E106-K306 WeakPolarHBondContact OE2-CE 3.38Å; E106-K306 IonicContact OE2-NZ 2.95Å
107	G	94.1	Very high	97	Very high	48 Å²	48	39.9 Å²	39.9	50%	0.495	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	11.2	175.3	0	0	0	0	0	115.2	A104 S105	A104-G107 PolarHBondContact O-N 3.01Å; S105-G107 VanDerWaalsContact C-N 3.29Å
108	M	95.6	Very high	96.8	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.03	22%	0.222	C	C	.	.			trans	-76.2	149.5	172	-69.5	178.6	-96.5	0	0	111.5	W79 V86 L103 E106 V110	W79-M108 HydrophobicContact CZ2-CE 4.12Å; W79-M108 HydrophobicContact CZ2-SD 4.32Å; W79-M108 VanDerWaalsContact NE1-CE 3.33Å; V86-M108 HydrophobicContact CG1-SD 4.12Å; V86-M108 HydrophobicContact CG2-CB 4.42Å; L103-M108 HydrophobicContact CB-CE 3.86Å; L103-M108 HydrophobicContact CB-SD 4.48Å; L103-M108 HydrophobicContact CD2-CE 3.27Å; L103-M108 HydrophobicContact CD2-SD 4.03Å; L103-M108 HydrophobicContact CG-CE 4.16Å; L103-M108 WeakPolarHBondContact O-CB 3.49Å; L103-M108 PolarHBondContact O-N 2.9Å; E106-M108 HydrophobicContact CB-CE 4.11Å; E106-M108 WeakPolarHBondContact OE2-CE 3.42Å; M108-V110 HydrophobicContact CB-CG2 4.28Å; M108-V110 PolarHBondContact O-N 3.35Å
109	T	97.3	Very high	96.4	Very high	78 Å²	78	41.7 Å²	41.7	48%	0.479	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.9	168.8	-59.3	0	0	0	0	108.6	G84 K85 V86	G84-T109 PolarHBondContact O-N 3.35Å; G84-T109 VanDerWaalsContact O-N 3.07Å; K85-T109 CarbonylContact C-O 3.52Å; K85-T109 VanDerWaalsContact CA-O 3.32Å; K85-T109 WeakPolarHBondContact CA-O 3.5Å; K85-T109 HydrophobicContact CG-CG2 4.18Å; V86-T109 PolarHBondContact N-O 3.22Å
110	V	98.4	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.3	-172.3	-177.3	0	0	0	0	111	V86 V88 L103 A104 M108 L112 G125 A126 I127	V86-V110 HydrophobicContact CG2-CB 4.29Å; V86-V110 HydrophobicContact CG2-CG1 4.33Å; V86-V110 HydrophobicContact CG2-CG2 3.78Å; V88-V110 HydrophobicContact CG2-CG1 4.19Å; L103-V110 HydrophobicContact CB-CG2 3.8Å; A104-V110 HydrophobicContact CB-CB 4.42Å; A104-V110 HydrophobicContact CB-CG2 3.84Å; M108-V110 HydrophobicContact CB-CG2 4.28Å; M108-V110 PolarHBondContact O-N 3.35Å; V110-L112 HydrophobicContact CG1-CD2 4.05Å; V110-L112 HydrophobicContact CG1-CG 4.37Å; V110-G125 PolarHBondContact N-O 3.45Å; V110-A126 HydrophobicContact CB-CB 3.97Å; V110-A126 HydrophobicContact CG1-CB 4.41Å; V110-A126 CarbonylContact O-C 3.58Å; V110-A126 VanDerWaalsContact O-CA 3.26Å; V110-A126 WeakPolarHBondContact O-CA 3.26Å; V110-I127 PolarHBondContact O-N 3.49Å
111	I	98.6	Very high	96	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.9	165.5	-58.2	168.9	0	0	0	108.4	V86 L87 V88 I127 L129 V142 V146	V86-I111 PolarHBondContact O-N 3.42Å; L87-I111 HydrophobicContact CD1-CB 3.67Å; L87-I111 HydrophobicContact CD1-CG2 3.49Å; L87-I111 VanDerWaalsContact CD1-CG2 3.49Å; V88-I111 PolarHBondContact N-O 2.88Å; I111-I127 HydrophobicContact CB-CG1 4.48Å; I111-I127 HydrophobicContact CG1-CD1 4.15Å; I111-I127 HydrophobicContact CG1-CG1 4.01Å; I111-I127 HydrophobicContact CG2-CG1 4.5Å; I111-L129 HydrophobicContact CG2-CD1 3.79Å; I111-L129 HydrophobicContact CG2-CG 4.18Å; I111-V142 HydrophobicContact CD1-CG1 4.12Å; I111-V142 HydrophobicContact CG2-CG1 3.74Å; I111-V146 HydrophobicContact CD1-CG2 4.25Å
112	L	98.8	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.6	168.2	-59.6	174.8	0	0	0	108.3	V88 F97 V110 A126 I127 F128 L129	V88-L112 HydrophobicContact CB-CD2 4.29Å; F97-L112 HydrophobicContact CD2-CD1 3.89Å; F97-L112 HydrophobicContact CE2-CD1 4Å; V110-L112 HydrophobicContact CG1-CD2 4.05Å; V110-L112 HydrophobicContact CG1-CG 4.37Å; L112-A126 HydrophobicContact CD1-CB 4.4Å; L112-I127 PolarHBondContact N-O 2.94Å; L112-F128 HydrophobicContact CB-CD2 4.09Å; L112-F128 WeakPolarHBondContact O-CA 3.33Å; L112-F128 WeakPolarHBondContact O-CD2 3Å; L112-L129 PolarHBondContact O-N 3.22Å
113	L	98.6	Very high	95.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.5	179.8	-171.3	78.4	0	0	0	110.2	L87 V88 T89 G90 G91 L129 I133 L139 V142	L87-L113 HydrophobicContact CD1-CB 3.68Å; L87-L113 HydrophobicContact CD1-CD2 4.36Å; V88-L113 PolarHBondContact O-N 2.81Å; T89-L113 CarbonylContact C-O 3.15Å; T89-L113 WeakPolarHBondContact CA-O 3.47Å; T89-L113 HydrophobicContact CG2-CD2 4.36Å; G90-L113 PolarHBondContact N-O 3.45Å; G91-L113 PolarHBondContact N-O 2.57Å; L113-L129 WeakPolarHBondContact CA-O 3.08Å; L113-L129 HydrophobicContact CD1-CB 4Å; L113-I133 HydrophobicContact CD2-CG2 4.32Å; L113-L139 HydrophobicContact CD2-CD1 3.69Å; L113-V142 HydrophobicContact CD1-CG1 4.15Å; L113-V142 HydrophobicContact CD1-CG2 4.17Å
114	D	98.4	Very high	95.7	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.139	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	159.5	178	-153.3	-58.4	0	0	0	111	G90 G92 G93 S116 F128 L129 Q130 S131	G90-D114 WeakPolarHBondContact CA-OD2 3.32Å; G92-D114 WeakPolarHBondContact CA-OD2 3.47Å; G92-D114 PolarHBondContact N-OD2 3.37Å; G93-D114 PolarHBondContact N-OD2 3.11Å; D114-S116 VanDerWaalsContact C-N 3.27Å; D114-S116 WeakPolarHBondContact CB-O 3.25Å; D114-S116 PolarHBondContact OD1-N 3.09Å; D114-F128 HydrophobicContact CB-CE2 3.91Å; D114-F128 HydrophobicContact CB-CZ 4.49Å; D114-L129 PolarHBondContact N-O 3.44Å; D114-Q130 CarbonylContact O-C 3.55Å; D114-Q130 VanDerWaalsContact O-CA 3.24Å; D114-Q130 WeakPolarHBondContact O-CA 3.1Å; D114-S131 CarbonylContact C-O 3.54Å; D114-S131 PolarHBondContact O-N 3.12Å
115	V	97.1	Very high	95.6	Very high	69 Å²	69	58.7 Å²	58.7	42%	0.418	34%	0.341	S	S	.	.	S	Bend	trans	-74.7	-23.3	170.9	-63.9	0	0	0	0	111.7	Q130 S131 D132	V115-Q130 WeakPolarHBondContact O-CG 3.4Å; V115-Q130 PolarHBondContact O-NE2 3.32Å; V115-S131 PolarHBondContact N-O 3.35Å; V115-D132 HydrophobicContact CG1-CB 3.67Å
116	S	94.3	Very high	95.7	Very high	71 Å²	71	55.1 Å²	55.1	50%	0.497	32%	0.317	S	S	.	.	S	Bend	trans	-115	132.6	-179.4	-59.2	0	0	0	0	111.4	D114	D114-S116 VanDerWaalsContact C-N 3.27Å; D114-S116 WeakPolarHBondContact CB-O 3.25Å; D114-S116 PolarHBondContact OD1-N 3.09Å
117	K	94.6	Very high	95.9	Very high	145 Å²	145	57.5 Å²	57.5	63%	0.63	33%	0.33	S	S	*	.			trans	-61.5	136.4	174.6	-169.2	179.4	178	180	0	110.5	F128	K117-F128 VanDerWaalsContact CA-CZ 3.47Å; K117-F128 HydrophobicContact CB-CE1 3.92Å; K117-F128 HydrophobicContact CB-CZ 4.21Å; K117-F128 HydrophobicContact CG-CD1 4.11Å; K117-F128 HydrophobicContact CG-CE1 3.95Å
118	P	93.8	Very high	96.1	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.058	31%	0.314	C	S	.	.			trans	-58.7	149.3	173.5	22.7	-32.8	0	0	0	111.2	F97 W120 I122 F128	F97-P118 HydrophobicContact CD2-CB 3.44Å; F97-P118 VanDerWaalsContact CD2-CB 3.44Å; F97-P118 HydrophobicContact CD2-CG 4.03Å; F97-P118 HydrophobicContact CE2-CB 3.74Å; F97-P118 HydrophobicContact CE2-CG 4.06Å; F97-P118 HydrophobicContact CG-CB 4.28Å; P118-W120 VanDerWaalsContact C-N 3.26Å; P118-W120 HydrophobicContact CB-CE3 4.46Å; P118-I122 HydrophobicContact CG-CG1 4.32Å; P118-F128 VanDerWaalsContact CD-CD2 3.43Å; P118-F128 HydrophobicContact CG-CD2 4.17Å; P118-F128 HydrophobicContact CG-CG 4.43Å
119	L	89.7	Confident	96.2	Very high	122 Å²	122	59.6 Å²	59.6	64%	0.639	33%	0.328	S	S	*	.	S	Bend	trans	-83	-7.1	179.7	-63.5	166.2	0	0	0	112.9
120	W	92.6	Very high	96.2	Very high	71 Å²	71	62.5 Å²	62.5	27%	0.269	34%	0.336	S	S	.	.	S	Bend	trans	-112.1	156.4	-178.5	-55.8	-88.3	0	0	0	109.4	Y94 F97 P118 I122	Y94-W120 HydrophobicContact CD2-CH2 4.32Å; F97-W120 HydrophobicContact CB-CE3 4.13Å; F97-W120 HydrophobicContact CB-CZ3 4.15Å; F97-W120 HydrophobicContact CD1-CB 4.11Å; F97-W120 AromaticContact CD1-CD2 3.91Å; F97-W120 HydrophobicContact CD1-CD2 3.91Å; F97-W120 AromaticContact CD1-CE3 3.56Å; F97-W120 HydrophobicContact CD1-CE3 3.56Å; F97-W120 HydrophobicContact CD1-CG 4.17Å; F97-W120 HydrophobicContact CD1-CZ3 4.27Å; F97-W120 HydrophobicContact CD2-CE3 4.34Å; F97-W120 HydrophobicContact CE1-CB 3.39Å; F97-W120 HydrophobicContact CE1-CD2 4.08Å; F97-W120 HydrophobicContact CE1-CE3 4.09Å; F97-W120 AromaticContact CE1-CG 3.83Å; F97-W120 HydrophobicContact CE1-CG 3.83Å; F97-W120 HydrophobicContact CE2-CB 4.2Å; F97-W120 HydrophobicContact CG-CD2 4.5Å; F97-W120 AromaticContact CG-CE3 3.72Å; F97-W120 HydrophobicContact CG-CE3 3.72Å; F97-W120 HydrophobicContact CG-CZ3 4.25Å; F97-W120 HydrophobicContact CZ-CB 3.45Å; F97-W120 VanDerWaalsContact CZ-CB 3.45Å; F97-W120 HydrophobicContact CZ-CG 4.36Å; P118-W120 VanDerWaalsContact C-N 3.26Å; P118-W120 HydrophobicContact CB-CE3 4.46Å; W120-I122 PolarHBondContact O-N 3.49Å
121	D	94.9	Very high	96.1	Very high	156 Å²	156	63.1 Å²	63.1	83%	0.834	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-64.1	132.9	177.2	-60.7	-43.7	0	0	0	110.9	F97	F97-D121 WeakPolarHBondContact CZ-O 3.42Å
122	I	96.7	Very high	96.1	Very high	67 Å²	67	64.8 Å²	64.8	34%	0.344	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66	123.9	179.8	-58.4	163	0	0	0	107.5	P118 W120 A126 F128	P118-I122 HydrophobicContact CG-CG1 4.32Å; W120-I122 PolarHBondContact O-N 3.49Å; I122-A126 HydrophobicContact CG2-CB 3.94Å; I122-A126 VanDerWaalsContact CG2-O 3.32Å; I122-A126 WeakPolarHBondContact CG2-O 3.46Å; I122-F128 HydrophobicContact CD1-CB 3.37Å; I122-F128 HydrophobicContact CD1-CG 4.41Å; I122-F128 HydrophobicContact CG1-CB 4.08Å
123	P	94.2	Very high	96.1	Very high	27 Å²	27	65.2 Å²	65.2	18%	0.175	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-71.7	155.7	-177.8	28.6	-32.7	0	0	0	111.4	K101 A104 G125 A126	K101-P123 HydrophobicContact CB-CG 4.12Å; K101-P123 HydrophobicContact CG-CB 4.3Å; K101-P123 HydrophobicContact CG-CG 4.15Å; A104-P123 HydrophobicContact CB-CG 4.3Å; P123-G125 PolarHBondContact O-N 3.29Å; P123-A126 HydrophobicContact CG-CB 3.86Å; P123-A126 WeakPolarHBondContact O-CB 3.27Å; P123-A126 PolarHBondContact O-N 3.47Å
124	D	94.9	Very high	96.1	Very high	158 Å²	158	69.6 Å²	69.6	85%	0.845	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	140	169.3	-64.7	-36	0	0	0	110.4	A104 A126	A104-D124 WeakPolarHBondContact CB-O 3.28Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 3.04Å
125	G	94.9	Very high	96.1	Very high	47 Å²	47	71.8 Å²	71.8	49%	0.485	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-7.5	-173.9	0	0	0	0	0	114.7	V110 P123	V110-G125 PolarHBondContact N-O 3.45Å; P123-G125 PolarHBondContact O-N 3.29Å
126	A	97.8	Very high	96.1	Very high	12 Å²	12	71.5 Å²	71.5	10%	0.099	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.2	172.5	0	0	0	0	0	112.7	A104 V110 L112 I122 P123 D124	A104-A126 HydrophobicContact CB-CB 4.22Å; V110-A126 HydrophobicContact CB-CB 3.97Å; V110-A126 HydrophobicContact CG1-CB 4.41Å; V110-A126 CarbonylContact O-C 3.58Å; V110-A126 VanDerWaalsContact O-CA 3.26Å; V110-A126 WeakPolarHBondContact O-CA 3.26Å; L112-A126 HydrophobicContact CD1-CB 4.4Å; I122-A126 HydrophobicContact CG2-CB 3.94Å; I122-A126 VanDerWaalsContact CG2-O 3.32Å; I122-A126 WeakPolarHBondContact CG2-O 3.46Å; P123-A126 HydrophobicContact CG-CB 3.86Å; P123-A126 WeakPolarHBondContact O-CB 3.27Å; P123-A126 PolarHBondContact O-N 3.47Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 3.04Å
127	I	97.9	Very high	96.3	Very high	91 Å²	91	71.5 Å²	71.5	47%	0.467	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.9	165.7	62.6	168.6	0	0	0	109.9	V110 I111 L112 L129	V110-I127 PolarHBondContact O-N 3.49Å; I111-I127 HydrophobicContact CB-CG1 4.48Å; I111-I127 HydrophobicContact CG1-CD1 4.15Å; I111-I127 HydrophobicContact CG1-CG1 4.01Å; I111-I127 HydrophobicContact CG2-CG1 4.5Å; L112-I127 PolarHBondContact N-O 2.94Å; I127-L129 HydrophobicContact CD1-CD1 4.29Å; I127-L129 HydrophobicContact CD1-CG 4.34Å
128	F	98.4	Very high	96.4	Very high	36 Å²	36	66 Å²	66	16%	0.158	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	172.2	175.5	-105.9	0	0	0	110.5	L112 D114 K117 P118 I122 Q130	L112-F128 HydrophobicContact CB-CD2 4.09Å; L112-F128 WeakPolarHBondContact O-CA 3.33Å; L112-F128 WeakPolarHBondContact O-CD2 3Å; D114-F128 HydrophobicContact CB-CE2 3.91Å; D114-F128 HydrophobicContact CB-CZ 4.49Å; K117-F128 VanDerWaalsContact CA-CZ 3.47Å; K117-F128 HydrophobicContact CB-CE1 3.92Å; K117-F128 HydrophobicContact CB-CZ 4.21Å; K117-F128 HydrophobicContact CG-CD1 4.11Å; K117-F128 HydrophobicContact CG-CE1 3.95Å; P118-F128 VanDerWaalsContact CD-CD2 3.43Å; P118-F128 HydrophobicContact CG-CD2 4.17Å; P118-F128 HydrophobicContact CG-CG 4.43Å; I122-F128 HydrophobicContact CD1-CB 3.37Å; I122-F128 HydrophobicContact CD1-CG 4.41Å; I122-F128 HydrophobicContact CG1-CB 4.08Å; F128-Q130 HydrophobicContact CE1-CB 3.8Å; F128-Q130 HydrophobicContact CE1-CG 4.41Å; F128-Q130 HydrophobicContact CZ-CB 4.01Å; F128-Q130 HydrophobicContact CZ-CG 4.33Å
129	L	97.8	Very high	96.6	Very high	62 Å²	62	65.6 Å²	65.6	33%	0.325	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.2	173.2	-62.6	179.2	0	0	0	109.1	I111 L112 L113 D114 I127 S131 V142	I111-L129 HydrophobicContact CG2-CD1 3.79Å; I111-L129 HydrophobicContact CG2-CG 4.18Å; L112-L129 PolarHBondContact O-N 3.22Å; L113-L129 WeakPolarHBondContact CA-O 3.08Å; L113-L129 HydrophobicContact CD1-CB 4Å; D114-L129 PolarHBondContact N-O 3.44Å; I127-L129 HydrophobicContact CD1-CD1 4.29Å; I127-L129 HydrophobicContact CD1-CG 4.34Å; L129-S131 PolarHBondContact O-N 3.07Å; L129-V142 HydrophobicContact CD1-CB 4.34Å; L129-V142 HydrophobicContact CD1-CG1 3.8Å; L129-V142 HydrophobicContact CD1-CG2 3.69Å
130	Q	97.9	Very high	97	Very high	140 Å²	140	62.2 Å²	62.2	65%	0.654	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	111	178.1	-166.2	173.6	-0.7	0	0	109.9	D114 V115 F128	D114-Q130 CarbonylContact O-C 3.55Å; D114-Q130 VanDerWaalsContact O-CA 3.24Å; D114-Q130 WeakPolarHBondContact O-CA 3.1Å; V115-Q130 WeakPolarHBondContact O-CG 3.4Å; V115-Q130 PolarHBondContact O-NE2 3.32Å; F128-Q130 HydrophobicContact CE1-CB 3.8Å; F128-Q130 HydrophobicContact CE1-CG 4.41Å; F128-Q130 HydrophobicContact CZ-CB 4.01Å; F128-Q130 HydrophobicContact CZ-CG 4.33Å
131	S	97.1	Very high	97.2	Very high	13 Å²	13	65.8 Å²	65.8	9%	0.091	35%	0.347	C	S	.	.			trans	-160.2	153.4	178.4	-168.8	0	0	0	0	111.2	D114 V115 L129 S138	D114-S131 CarbonylContact C-O 3.54Å; D114-S131 PolarHBondContact O-N 3.12Å; V115-S131 PolarHBondContact N-O 3.35Å; L129-S131 PolarHBondContact O-N 3.07Å; S131-S138 WeakPolarHBondContact CB-OG 3.49Å; S131-S138 VanDerWaalsContact OG-CB 3.24Å; S131-S138 WeakPolarHBondContact OG-CB 3.42Å; S131-S138 PolarHBondContact OG-OG 2.67Å
132	D	98	Very high	97.3	Very high	37 Å²	37	59.3 Å²	59.3	20%	0.198	31%	0.313	C	S	.	.			trans	-88.9	139.1	168.8	-161.2	-44.2	0	0	0	110.1	V115 R134 D135	V115-D132 HydrophobicContact CG1-CB 3.67Å; D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 VanDerWaalsContact OD1-CB 3.28Å; D132-R134 WeakPolarHBondContact OD1-CB 3.46Å; D132-R134 VanDerWaalsContact OD1-CG 3.27Å; D132-R134 WeakPolarHBondContact OD1-CG 3.47Å; D132-R134 PolarHBondContact OD1-N 3.18Å; D132-R134 IonicContact OD1-NE 3.54Å; D132-R134 PolarHBondContact OD1-NE 2.98Å; D132-R134 VanDerWaalsContact OD1-NE 3.12Å; D132-R134 IonicContact OD2-CZ 3.14Å; D132-R134 VanDerWaalsContact OD2-CZ 3.22Å; D132-R134 IonicContact OD2-NE 3.8Å; D132-R134 PolarHBondContact OD2-NE 3.31Å; D132-R134 IonicContact OD2-NH2 3.96Å; D132-R134 PolarHBondContact OD2-NH2 2.87Å; D132-D135 PolarHBondContact O-N 2.78Å; D132-D135 VanDerWaalsContact O-N 3.1Å
133	I	98.3	Very high	97.3	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.046	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.3	173.8	60.8	173	0	0	0	112.5	T89 L113 A153 V171 N178	T89-I133 HydrophobicContact CG2-CG2 4.11Å; L113-I133 HydrophobicContact CD2-CG2 4.32Å; I133-A153 HydrophobicContact CD1-CB 3.88Å; I133-A153 HydrophobicContact CG2-CB 4.26Å; I133-V171 HydrophobicContact CD1-CG1 4.05Å; I133-N178 WeakPolarHBondContact O-CB 3.33Å; I133-N178 PolarHBondContact O-ND2 3.25Å
134	R	98.3	Very high	97.4	Very high	94 Å²	94	60.4 Å²	60.4	36%	0.355	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.2	173.3	-61	177.2	-66.7	164.5	5.2	112.5	D132 Y136 S170 N178	D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 VanDerWaalsContact OD1-CB 3.28Å; D132-R134 WeakPolarHBondContact OD1-CB 3.46Å; D132-R134 VanDerWaalsContact OD1-CG 3.27Å; D132-R134 WeakPolarHBondContact OD1-CG 3.47Å; D132-R134 PolarHBondContact OD1-N 3.18Å; D132-R134 IonicContact OD1-NE 3.54Å; D132-R134 PolarHBondContact OD1-NE 2.98Å; D132-R134 VanDerWaalsContact OD1-NE 3.12Å; D132-R134 IonicContact OD2-CZ 3.14Å; D132-R134 VanDerWaalsContact OD2-CZ 3.22Å; D132-R134 IonicContact OD2-NE 3.8Å; D132-R134 PolarHBondContact OD2-NE 3.31Å; D132-R134 IonicContact OD2-NH2 3.96Å; D132-R134 PolarHBondContact OD2-NH2 2.87Å; R134-Y136 PolarHBondContact O-N 3.38Å; R134-Y136 VanDerWaalsContact O-N 3.08Å; R134-S170 WeakPolarHBondContact CD-OG 3.12Å; R134-S170 PolarHBondContact NH1-OG 2.94Å; R134-N178 WeakPolarHBondContact CA-ND2 3.35Å; R134-N178 PolarHBondContact O-ND2 2.82Å
135	D	98.3	Very high	97.4	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	30%	0.301	S	S	.	.			trans	-78.8	90.7	169.7	-179	-7.2	0	0	0	109.4	D132 S137 S138 L139	D132-D135 PolarHBondContact O-N 2.78Å; D132-D135 VanDerWaalsContact O-N 3.1Å; D135-S137 PolarHBondContact O-N 2.81Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.81Å; D135-S138 VanDerWaalsContact CG-CB 3.49Å; D135-S138 PolarHBondContact O-N 3.18Å; D135-S138 PolarHBondContact OD1-N 3.33Å; D135-S138 VanDerWaalsContact OD1-N 3.09Å; D135-S138 VanDerWaalsContact OD2-CB 3.3Å; D135-S138 WeakPolarHBondContact OD2-CB 3.49Å; D135-L139 WeakPolarHBondContact O-CB 3.33Å; D135-L139 PolarHBondContact O-N 3.05Å
136	Y	98.4	Very high	97.5	Very high	64 Å²	64	53.6 Å²	53.6	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-35.9	-179.2	-170.8	-106.2	0	0	0	112.7	R134 L139 H140 N178 N181 V182 E185	R134-Y136 PolarHBondContact O-N 3.38Å; R134-Y136 VanDerWaalsContact O-N 3.08Å; Y136-L139 PolarHBondContact O-N 3.02Å; Y136-H140 HydrophobicContact CE1-CB 4.4Å; Y136-H140 WeakPolarHBondContact O-CB 3.47Å; Y136-H140 PolarHBondContact O-N 2.78Å; Y136-N178 HydrophobicContact CD2-CB 3.89Å; Y136-N178 HydrophobicContact CE2-CB 4.49Å; Y136-N181 HydrophobicContact CE2-CB 4.09Å; Y136-V182 HydrophobicContact CE2-CB 4.22Å; Y136-E185 PolarHBondContact OH-OE1 3.28Å; Y136-E185 PolarHBondContact OH-OE2 3.08Å
137	S	97.9	Very high	97.4	Very high	70 Å²	70	56.1 Å²	56.1	49%	0.49	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-41.7	-176.1	76.5	0	0	0	0	111.8	D135 K141	D135-S137 PolarHBondContact O-N 2.81Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.81Å; S137-K141 WeakPolarHBondContact O-CG 3.2Å; S137-K141 PolarHBondContact O-N 3.28Å
138	S	97.1	Very high	97.4	Very high	30 Å²	30	51.8 Å²	51.8	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-48.4	174.7	-179	0	0	0	0	110.8	S131 D135 H140 K141 V142	S131-S138 WeakPolarHBondContact CB-OG 3.49Å; S131-S138 VanDerWaalsContact OG-CB 3.24Å; S131-S138 WeakPolarHBondContact OG-CB 3.42Å; S131-S138 PolarHBondContact OG-OG 2.67Å; D135-S138 VanDerWaalsContact CG-CB 3.49Å; D135-S138 PolarHBondContact O-N 3.18Å; D135-S138 PolarHBondContact OD1-N 3.33Å; D135-S138 VanDerWaalsContact OD1-N 3.09Å; D135-S138 VanDerWaalsContact OD2-CB 3.3Å; D135-S138 WeakPolarHBondContact OD2-CB 3.49Å; S138-H140 VanDerWaalsContact C-N 3.3Å; S138-H140 PolarHBondContact O-N 3.06Å; S138-K141 WeakPolarHBondContact O-CB 3.45Å; S138-K141 PolarHBondContact O-N 3.06Å; S138-V142 WeakPolarHBondContact O-CG2 3.38Å; S138-V142 PolarHBondContact O-N 2.81Å
139	L	97.9	Very high	97.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-46.3	176.7	-178.7	65.3	0	0	0	111.5	L87 L113 D135 Y136 K141 V142 C143 N178 V179 V182	L87-L139 HydrophobicContact CD2-CD1 4.29Å; L113-L139 HydrophobicContact CD2-CD1 3.69Å; D135-L139 WeakPolarHBondContact O-CB 3.33Å; D135-L139 PolarHBondContact O-N 3.05Å; Y136-L139 PolarHBondContact O-N 3.02Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.46Å; L139-V142 PolarHBondContact O-N 3.27Å; L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 2.98Å; L139-C143 PolarHBondContact O-SG 3.46Å; L139-N178 HydrophobicContact CD2-CB 3.9Å; L139-V179 HydrophobicContact CD2-CG2 4.11Å; L139-V182 HydrophobicContact CD2-CB 4.4Å; L139-V182 HydrophobicContact CD2-CG1 3.94Å; L139-V182 HydrophobicContact CG-CB 4.43Å; L139-V182 HydrophobicContact CG-CG1 4.03Å
140	H	98.1	Very high	97.5	Very high	52 Å²	52	47.2 Å²	47.2	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-37.3	178.1	-177.3	-88.4	0	0	0	112.8	Y136 S138 V182 E185 R186	Y136-H140 HydrophobicContact CE1-CB 4.4Å; Y136-H140 WeakPolarHBondContact O-CB 3.47Å; Y136-H140 PolarHBondContact O-N 2.78Å; S138-H140 VanDerWaalsContact C-N 3.3Å; S138-H140 PolarHBondContact O-N 3.06Å; H140-V182 HydrophobicContact CB-CG2 4.27Å; H140-E185 IonicContact CD2-OE2 2.57Å; H140-R186 PolarHBondContact CE1-NE 2.89Å; H140-R186 PolarHBondContact CE1-NH2 2.74Å; H140-R186 PolarHBondContact ND1-NE 2.95Å; H140-R186 PolarHBondContact ND1-NH2 3.1Å; H140-R186 PolarHBondContact NE2-NE 2.98Å; H140-R186 VanDerWaalsContact O-CZ 3.22Å; H140-R186 PolarHBondContact O-NE 2.86Å; H140-R186 PolarHBondContact O-NH2 2.94Å
141	K	97.2	Very high	97.6	Very high	146 Å²	146	40.6 Å²	40.6	64%	0.635	22%	0.216	S	C	*	.	H	α-helix	trans	-68.2	-46.7	174.9	-72.3	170	-177	174.2	0	111.6	S137 S138 L139 C143 E144	S137-K141 WeakPolarHBondContact O-CG 3.2Å; S137-K141 PolarHBondContact O-N 3.28Å; S138-K141 WeakPolarHBondContact O-CB 3.45Å; S138-K141 PolarHBondContact O-N 3.06Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.46Å; K141-C143 VanDerWaalsContact C-N 3.28Å; K141-C143 PolarHBondContact O-N 3.21Å; K141-E144 WeakPolarHBondContact O-CB 3.37Å; K141-E144 PolarHBondContact O-N 2.76Å
142	V	96.5	Very high	97.6	Very high	20 Å²	20	40.7 Å²	40.7	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-34.9	-177.6	172.7	0	0	0	0	112.5	L87 I111 L113 L129 S138 L139 E144	L87-V142 HydrophobicContact CD1-CG1 3.86Å; I111-V142 HydrophobicContact CD1-CG1 4.12Å; I111-V142 HydrophobicContact CG2-CG1 3.74Å; L113-V142 HydrophobicContact CD1-CG1 4.15Å; L113-V142 HydrophobicContact CD1-CG2 4.17Å; L129-V142 HydrophobicContact CD1-CB 4.34Å; L129-V142 HydrophobicContact CD1-CG1 3.8Å; L129-V142 HydrophobicContact CD1-CG2 3.69Å; S138-V142 WeakPolarHBondContact O-CG2 3.38Å; S138-V142 PolarHBondContact O-N 2.81Å; L139-V142 PolarHBondContact O-N 3.27Å; V142-E144 PolarHBondContact O-N 2.81Å; V142-E144 VanDerWaalsContact O-N 3.13Å
143	C	97.3	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	2.5	-178.9	-78.2	0	0	0	0	115.2	L87 L139 K141 G145 V146 V182 R186 I188	L87-C143 WeakPolarHBondContact CD2-SG 3.49Å; L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 2.98Å; L139-C143 PolarHBondContact O-SG 3.46Å; K141-C143 VanDerWaalsContact C-N 3.28Å; K141-C143 PolarHBondContact O-N 3.21Å; C143-G145 PolarHBondContact O-N 3.4Å; C143-V146 PolarHBondContact O-N 3.21Å; C143-V182 HydrophobicContact CB-CG2 3.5Å; C143-V182 VanDerWaalsContact CB-CG2 3.5Å; C143-R186 HydrophobicContact CB-CG 4.1Å; C143-I188 HydrophobicContact CB-CD1 3.9Å
144	E	95.1	Very high	97.4	Very high	117 Å²	117	40.9 Å²	40.9	55%	0.547	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	123.6	179.1	-177.4	158	-152.1	0	0	112.5	K85 K141 V142 V146 R186	K85-E144 PolarHBondContact NZ-O 3.47Å; K141-E144 WeakPolarHBondContact O-CB 3.37Å; K141-E144 PolarHBondContact O-N 2.76Å; V142-E144 PolarHBondContact O-N 2.81Å; V142-E144 VanDerWaalsContact O-N 3.13Å; E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 2.98Å; E144-R186 IonicContact OE1-NH1 2.6Å
145	G	94.3	Very high	97.2	Very high	55 Å²	55	38.1 Å²	38.1	57%	0.567	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	17	179.8	0	0	0	0	0	114.6	K85 C143	K85-G145 WeakPolarHBondContact CB-O 3.24Å; C143-G145 PolarHBondContact O-N 3.4Å
146	V	97.6	Very high	96.6	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.042	19%	0.194	C	C	.	.			trans	-79.8	133.4	176.8	170.9	0	0	0	0	110.5	K85 L87 I111 C143 E144 C148 I149 I188	K85-V146 HydrophobicContact CG-CG2 4.39Å; L87-V146 HydrophobicContact CB-CG1 3.94Å; L87-V146 HydrophobicContact CB-CG2 4.21Å; I111-V146 HydrophobicContact CD1-CG2 4.25Å; C143-V146 PolarHBondContact O-N 3.21Å; E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 2.98Å; V146-C148 VanDerWaalsContact CG1-O 3.25Å; V146-C148 WeakPolarHBondContact CG1-O 3.47Å; V146-I149 HydrophobicContact CG1-CG1 4.03Å; V146-I188 HydrophobicContact CB-CD1 3.96Å; V146-I188 HydrophobicContact CB-CG1 4.48Å; V146-I188 HydrophobicContact CG1-CD1 4.1Å; V146-I188 HydrophobicContact CG1-CG2 4.33Å; V146-I188 WeakPolarHBondContact O-CG1 3.19Å
147	D	96.4	Very high	95.9	Very high	65 Å²	65	34.6 Å²	34.6	35%	0.348	20%	0.196	S	C	.	.	S	Bend	trans	-95.2	-22	-178.9	-59.3	-57.9	0	0	0	113.4	G84 K85 P189 R190	G84-D147 WeakPolarHBondContact CA-OD2 3.42Å; K85-D147 PolarHBondContact N-OD2 3.33Å; K85-D147 PolarHBondContact O-N 3.1Å; D147-P189 WeakPolarHBondContact O-CD 3.32Å; D147-R190 PolarHBondContact O-NE 3Å
148	C	98.3	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	136.4	179.9	-173	0	0	0	0	111.1	V86 L87 V146 R190	V86-C148 WeakPolarHBondContact CA-O 3.24Å; V86-C148 HydrophobicContact CG1-CB 4.17Å; L87-C148 PolarHBondContact N-O 2.97Å; V146-C148 VanDerWaalsContact CG1-O 3.25Å; V146-C148 WeakPolarHBondContact CG1-O 3.47Å; C148-R190 WeakPolarHBondContact CA-O 3.47Å; C148-R190 HydrophobicContact CB-CB 4.09Å
149	I	98.9	Very high	93.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.7	170.1	-59.4	-174.2	0	0	0	109.7	L87 T89 V146 H151 V179 V182 I188 R190 L191 V192	L87-I149 HydrophobicContact CB-CG1 4.2Å; L87-I149 HydrophobicContact CD2-CD1 4Å; L87-I149 HydrophobicContact CD2-CG1 4.18Å; L87-I149 HydrophobicContact CD2-CG2 4.48Å; L87-I149 CarbonylContact O-C 3.24Å; L87-I149 WeakPolarHBondContact O-CA 3.47Å; T89-I149 HydrophobicContact CG2-CG2 4.2Å; V146-I149 HydrophobicContact CG1-CG1 4.03Å; I149-H151 HydrophobicContact CG2-CB 4.34Å; I149-V179 HydrophobicContact CD1-CG1 4.23Å; I149-V179 HydrophobicContact CG2-CG1 4.02Å; I149-V182 HydrophobicContact CD1-CG1 4.17Å; I149-I188 HydrophobicContact CD1-CD1 3.72Å; I149-I188 HydrophobicContact CG1-CD1 4.05Å; I149-I188 HydrophobicContact CG1-CG2 4.27Å; I149-R190 PolarHBondContact N-O 3.09Å; I149-L191 HydrophobicContact CB-CD1 3.95Å; I149-L191 HydrophobicContact CG2-CD1 3.99Å; I149-V192 PolarHBondContact O-N 3.03Å
150	F	98.9	Very high	92.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	102.5	162.6	-62.5	-89.2	0	0	0	108.5	V86 L87 V88 T89 L99 L103 T152 V192 H305 A309	V86-F150 HydrophobicContact CB-CD2 4.41Å; V86-F150 HydrophobicContact CB-CE2 4.15Å; V86-F150 HydrophobicContact CG1-CE2 4.23Å; L87-F150 PolarHBondContact O-N 3.38Å; V88-F150 WeakPolarHBondContact CA-O 3.39Å; V88-F150 HydrophobicContact CG1-CB 4.39Å; V88-F150 HydrophobicContact CG2-CB 4.24Å; V88-F150 HydrophobicContact CG2-CD2 4.28Å; T89-F150 PolarHBondContact N-O 3.29Å; L99-F150 HydrophobicContact CD2-CB 3.82Å; L99-F150 HydrophobicContact CD2-CD1 3.79Å; L99-F150 HydrophobicContact CD2-CG 3.85Å; L103-F150 HydrophobicContact CD1-CD2 3.83Å; L103-F150 HydrophobicContact CD1-CE2 3.54Å; L103-F150 HydrophobicContact CD1-CZ 4.04Å; L103-F150 HydrophobicContact CD2-CE2 4.25Å; L103-F150 HydrophobicContact CD2-CZ 4.11Å; F150-T152 HydrophobicContact CB-CG2 4.38Å; F150-T152 PolarHBondContact O-N 2.93Å; F150-V192 CarbonylContact C-O 3.56Å; F150-V192 HydrophobicContact CD1-CB 3.88Å; F150-V192 HydrophobicContact CD1-CG1 4.22Å; F150-V192 HydrophobicContact CD1-CG2 4.27Å; F150-V192 HydrophobicContact CE1-CB 4.27Å; F150-V192 HydrophobicContact CE1-CG2 4.16Å; F150-H305 HydrophobicContact CD1-CB 4.23Å; F150-H305 HydrophobicContact CE1-CB 4.19Å; F150-H305 WeakPolarHBondContact CE1-O 3.41Å; F150-A309 HydrophobicContact CE1-CB 3.65Å; F150-A309 HydrophobicContact CZ-CB 3.46Å; F150-A309 VanDerWaalsContact CZ-CB 3.46Å
151	H	98.9	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	87.4	-177.5	-173.7	35.2	0	0	0	110.9	T89 I149 T176 V179 L191 V192 Y193 T194	T89-H151 VanDerWaalsContact OG1-CA 3.32Å; T89-H151 WeakPolarHBondContact OG1-CA 3.3Å; T89-H151 PolarHBondContact OG1-ND1 3.28Å; I149-H151 HydrophobicContact CG2-CB 4.34Å; H151-T176 PolarHBondContact CD2-OG1 3.29Å; H151-T176 PolarHBondContact NE2-OG1 2.93Å; H151-V179 HydrophobicContact CB-CG1 4.28Å; H151-L191 HydrophobicContact CB-CD1 3.89Å; H151-V192 PolarHBondContact N-O 2.84Å; H151-Y193 HydrophobicContact CB-CD2 4.12Å; H151-Y193 AromaticContact CD2-CD2 3.37Å; H151-Y193 WeakPolarHBondContact CD2-CD2 3.31Å; H151-Y193 AromaticContact CD2-CE2 3.53Å; H151-Y193 AromaticContact CG-CD2 3.99Å; H151-T194 PolarHBondContact O-N 2.89Å; H151-T194 VanDerWaalsContact O-N 3.09Å
152	T	98.4	Very high	90.2	Very high	16 Å²	16	28.1 Å²	28.1	10%	0.098	17%	0.167	C	C	.	.			trans	-105.1	-3.1	179.1	88.9	0	0	0	0	113.3	V88 T89 F95 L99 F150 S154 T194	V88-T152 HydrophobicContact CG1-CG2 4.13Å; T89-T152 CarbonylContact O-C 3.56Å; T89-T152 WeakPolarHBondContact O-CA 3.46Å; T89-T152 PolarHBondContact O-N 2.82Å; T89-T152 PolarHBondContact O-OG1 3.38Å; T89-T152 PolarHBondContact OG1-N 3.23Å; F95-T152 HydrophobicContact CD1-CG2 3.93Å; F95-T152 HydrophobicContact CE1-CG2 3.58Å; L99-T152 HydrophobicContact CD2-CG2 4.17Å; F150-T152 HydrophobicContact CB-CG2 4.38Å; F150-T152 PolarHBondContact O-N 2.93Å; T152-S154 PolarHBondContact O-N 3.36Å; T152-T194 WeakPolarHBondContact CG2-OG1 3.37Å
153	A	97.4	Very high	89.3	Confident	13 Å²	13	31 Å²	31	11%	0.107	18%	0.18	C	C	.	.			trans	-67.7	130.1	179.4	0	0	0	0	0	110.4	T89 I133	T89-A153 PolarHBondContact O-N 2.85Å; T89-A153 WeakPolarHBondContact OG1-CB 3.39Å; T89-A153 PolarHBondContact OG1-N 3.25Å; I133-A153 HydrophobicContact CD1-CB 3.88Å; I133-A153 HydrophobicContact CG2-CB 4.26Å
154	S	95.1	Very high	88.8	Confident	37 Å²	37	36.4 Å²	36.4	26%	0.259	20%	0.201	S	C	.	.			trans	-159.5	161.4	174.6	62.6	0	0	0	0	111	T152 N172	T152-S154 PolarHBondContact O-N 3.36Å; S154-N172 VanDerWaalsContact CA-OD1 3.32Å; S154-N172 WeakPolarHBondContact CA-OD1 3.48Å
155	Y	93.9	Very high	88.4	Confident	36 Å²	36	36.7 Å²	36.7	14%	0.141	20%	0.201	C	C	.	.			trans	-136.6	147.7	-177.4	-169.9	-100.9	0	0	0	112	E161 R164 Q167 V168 N172 Y226	Y155-E161 HydrophobicContact CE1-CB 4.17Å; Y155-E161 HydrophobicContact CE1-CG 4.46Å; Y155-E161 HydrophobicContact CE2-CB 4.31Å; Y155-E161 HydrophobicContact CE2-CG 3.8Å; Y155-R164 HydrophobicContact CE1-CB 4.18Å; Y155-R164 PolarHBondContact OH-NE 3.26Å; Y155-R164 PolarHBondContact OH-NH1 3.41Å; Y155-R164 VanDerWaalsContact OH-NH1 3.1Å; Y155-R164 PolarHBondContact OH-NH2 2.87Å; Y155-Q167 HydrophobicContact CD1-CB 4.16Å; Y155-Q167 HydrophobicContact CD1-CG 3.85Å; Y155-Q167 HydrophobicContact CE1-CB 3.77Å; Y155-Q167 HydrophobicContact CE1-CG 3.53Å; Y155-Q167 VanDerWaalsContact CZ-CD 3.42Å; Y155-Q167 PolarHBondContact OH-NE2 3.47Å; Y155-Q167 PolarHBondContact OH-OE1 2.94Å; Y155-V168 HydrophobicContact CD1-CG2 3.87Å; Y155-V168 HydrophobicContact CE1-CG2 4.35Å; Y155-N172 PolarHBondContact N-OD1 2.81Å; Y155-N172 PolarHBondContact O-ND2 3.46Å; Y155-Y226 WeakPolarHBondContact O-CD2 3.45Å
156	G	85.9	Confident	88.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.212	C	C	.	.			trans	82.3	19.3	177	0	0	0	0	0	115.8	S158 Q162 Y226	G156-S158 PolarHBondContact O-N 2.94Å; G156-Q162 WeakPolarHBondContact O-CG 3.42Å; G156-Y226 WeakPolarHBondContact O-CB 3.46Å
157	M	82.1	Confident	88.2	Confident	59 Å²	59	44.8 Å²	44.8	29%	0.291	22%	0.223	S	C	.	.	S	Bend	trans	-65.1	-36.1	-178.8	-174.3	172.8	74.8	0	0	113.4	Q162 Y226	M157-Q162 PolarHBondContact O-NE2 2.68Å; M157-Y226 HydrophobicContact CB-CD2 4.18Å; M157-Y226 HydrophobicContact CB-CE1 4.29Å; M157-Y226 HydrophobicContact CB-CE2 3.9Å; M157-Y226 HydrophobicContact CB-CG 4.48Å; M157-Y226 HydrophobicContact CG-CD1 4.48Å; M157-Y226 HydrophobicContact CG-CE1 3.94Å; M157-Y226 HydrophobicContact CG-CE2 4.32Å
158	S	74.3	Confident	88.1	Confident	7 Å²	7	41.7 Å²	41.7	5%	0.049	21%	0.206	C	C	.	.	S	Bend	trans	-158.3	168.9	-178.9	54.5	0	0	0	0	111.6	G156 H269	G156-S158 PolarHBondContact O-N 2.94Å; S158-H269 WeakPolarHBondContact CB-CE1 3.28Å; S158-H269 WeakPolarHBondContact CB-NE2 3.4Å; S158-H269 PolarHBondContact OG-CE1 2.86Å; S158-H269 PolarHBondContact OG-NE2 3.26Å; S158-H269 VanDerWaalsContact OG-NE2 3.12Å
159	G	69.7	Low	88	Confident	14 Å²	14	44.6 Å²	44.6	14%	0.144	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	71.8	-162.7	176.9	0	0	0	0	0	114.2	E161 Q162	G159-E161 PolarHBondContact O-N 2.77Å; G159-E161 VanDerWaalsContact O-N 3.16Å; G159-Q162 WeakPolarHBondContact O-CB 3.5Å; G159-Q162 PolarHBondContact O-N 3.12Å; G159-Q162 VanDerWaalsContact O-N 3.1Å
160	P	69.1	Low	88	Confident	55 Å²	55	47 Å²	47	36%	0.357	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.2	-179.3	-20.4	31.7	0	0	0	113.3	Q162 L163 H371	P160-Q162 PolarHBondContact O-N 3.5Å; P160-L163 WeakPolarHBondContact O-CB 3.44Å; P160-L163 PolarHBondContact O-N 3.38Å; P160-L163 VanDerWaalsContact O-N 3.12Å; P160-H371 WeakPolarHBondContact CG-NE2 3.46Å
161	E	79.9	Confident	87.9	Confident	64 Å²	64	47.6 Å²	47.6	30%	0.299	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-56.3	-33.4	174.8	-67.7	63.4	-143.3	0	0	112.9	Y155 G159 L163 R164	Y155-E161 HydrophobicContact CE1-CB 4.17Å; Y155-E161 HydrophobicContact CE1-CG 4.46Å; Y155-E161 HydrophobicContact CE2-CB 4.31Å; Y155-E161 HydrophobicContact CE2-CG 3.8Å; G159-E161 PolarHBondContact O-N 2.77Å; G159-E161 VanDerWaalsContact O-N 3.16Å; E161-L163 PolarHBondContact O-N 3.05Å; E161-L163 VanDerWaalsContact O-N 3.11Å; E161-R164 PolarHBondContact O-N 3.44Å; E161-R164 VanDerWaalsContact O-N 3.11Å; E161-R164 IonicContact OE1-NH2 2.65Å; E161-R164 PolarHBondContact OE1-NH2 3.26Å
162	Q	76.1	Confident	87.9	Confident	23 Å²	23	47.6 Å²	47.6	11%	0.107	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.6	-26.4	178.4	-82.6	-178.2	-10.4	0	0	112.8	G156 M157 G159 P160	G156-Q162 WeakPolarHBondContact O-CG 3.42Å; M157-Q162 PolarHBondContact O-NE2 2.68Å; G159-Q162 WeakPolarHBondContact O-CB 3.5Å; G159-Q162 PolarHBondContact O-N 3.12Å; G159-Q162 VanDerWaalsContact O-N 3.1Å; P160-Q162 PolarHBondContact O-N 3.5Å
163	L	77.8	Confident	87.9	Confident	79 Å²	79	48 Å²	48	41%	0.414	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-84.6	-14	-175.1	-54.5	177	0	0	0	112.4	P160 E161 K165 V372	P160-L163 WeakPolarHBondContact O-CB 3.44Å; P160-L163 PolarHBondContact O-N 3.38Å; P160-L163 VanDerWaalsContact O-N 3.12Å; E161-L163 PolarHBondContact O-N 3.05Å; E161-L163 VanDerWaalsContact O-N 3.11Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.13Å; L163-K165 VanDerWaalsContact O-N 3.08Å; L163-V372 HydrophobicContact CD1-CG2 3.54Å
164	R	85.9	Confident	87.9	Confident	114 Å²	114	48.8 Å²	48.8	43%	0.43	25%	0.252	S	S	.	.			trans	-87.9	63.2	-176.9	-67.1	-171.7	-89.5	-176.1	-5.7	112.1	Y155 E161 E166 Q167 V168	Y155-R164 HydrophobicContact CE1-CB 4.18Å; Y155-R164 PolarHBondContact OH-NE 3.26Å; Y155-R164 PolarHBondContact OH-NH1 3.41Å; Y155-R164 VanDerWaalsContact OH-NH1 3.1Å; Y155-R164 PolarHBondContact OH-NH2 2.87Å; E161-R164 PolarHBondContact O-N 3.44Å; E161-R164 VanDerWaalsContact O-N 3.11Å; E161-R164 IonicContact OE1-NH2 2.65Å; E161-R164 PolarHBondContact OE1-NH2 3.26Å; R164-E166 PolarHBondContact O-N 3.3Å; R164-Q167 HydrophobicContact CB-CB 4.17Å; R164-Q167 WeakPolarHBondContact O-CB 3.38Å; R164-Q167 PolarHBondContact O-N 3.33Å; R164-V168 WeakPolarHBondContact O-CG2 3.39Å; R164-V168 PolarHBondContact O-N 3.49Å
165	K	88.7	Confident	88.1	Confident	124 Å²	124	47 Å²	47	54%	0.539	24%	0.24	S	C	.	.	H	α-helix	trans	-46.9	-50.3	-170.2	-55.7	-177.9	-179.2	179.3	0	114.8	L163 Q167 V168 E169 H225	L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.13Å; L163-K165 VanDerWaalsContact O-N 3.08Å; K165-Q167 VanDerWaalsContact C-N 3.31Å; K165-Q167 PolarHBondContact O-N 2.93Å; K165-V168 WeakPolarHBondContact O-CB 3.3Å; K165-V168 PolarHBondContact O-N 3.04Å; K165-E169 PolarHBondContact O-N 3.37Å; K165-H225 VanDerWaalsContact CD-NE2 3.33Å; K165-H225 WeakPolarHBondContact CD-NE2 3.2Å; K165-H225 WeakPolarHBondContact CE-NE2 3.24Å
166	E	92.6	Very high	88.4	Confident	171 Å²	171	45.3 Å²	45.3	80%	0.799	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-38.6	-179	-66.9	177	-174.3	0	0	112.1	R164 E169 S170	R164-E166 PolarHBondContact O-N 3.3Å; E166-E169 PolarHBondContact O-N 3.14Å; E166-S170 WeakPolarHBondContact O-CB 3.45Å; E166-S170 PolarHBondContact O-N 2.95Å
167	Q	93.7	Very high	89	Confident	60 Å²	60	48.5 Å²	48.5	28%	0.28	25%	0.25	S	S	.	.	H	α-helix	trans	-70.8	-37.4	177.1	-166.6	172.5	11.1	0	0	111.4	Y155 R164 K165 V171	Y155-Q167 HydrophobicContact CD1-CB 4.16Å; Y155-Q167 HydrophobicContact CD1-CG 3.85Å; Y155-Q167 HydrophobicContact CE1-CB 3.77Å; Y155-Q167 HydrophobicContact CE1-CG 3.53Å; Y155-Q167 VanDerWaalsContact CZ-CD 3.42Å; Y155-Q167 PolarHBondContact OH-NE2 3.47Å; Y155-Q167 PolarHBondContact OH-OE1 2.94Å; R164-Q167 HydrophobicContact CB-CB 4.17Å; R164-Q167 WeakPolarHBondContact O-CB 3.38Å; R164-Q167 PolarHBondContact O-N 3.33Å; K165-Q167 VanDerWaalsContact C-N 3.31Å; K165-Q167 PolarHBondContact O-N 2.93Å; Q167-V171 HydrophobicContact CG-CG2 4.39Å; Q167-V171 WeakPolarHBondContact O-CB 3.34Å; Q167-V171 VanDerWaalsContact O-CG2 3.28Å; Q167-V171 WeakPolarHBondContact O-CG2 3.39Å; Q167-V171 PolarHBondContact O-N 3.22Å
168	V	94.4	Very high	89.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-51	172.7	178.9	0	0	0	0	110.6	Y155 R164 K165 N172 H225 T229	Y155-V168 HydrophobicContact CD1-CG2 3.87Å; Y155-V168 HydrophobicContact CE1-CG2 4.35Å; R164-V168 WeakPolarHBondContact O-CG2 3.39Å; R164-V168 PolarHBondContact O-N 3.49Å; K165-V168 WeakPolarHBondContact O-CB 3.3Å; K165-V168 PolarHBondContact O-N 3.04Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.24Å; V168-N172 WeakPolarHBondContact O-CB 3.28Å; V168-N172 PolarHBondContact O-N 2.78Å; V168-H225 HydrophobicContact CG1-CB 4.2Å; V168-T229 HydrophobicContact CG1-CG2 4.14Å; V168-T229 WeakPolarHBondContact CG1-OG1 3.5Å
169	E	96.6	Very high	90.9	Very high	62 Å²	62	46.7 Å²	46.7	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-49.4	178.1	-165.6	87.1	-163	0	0	111.5	K165 E166 V171 V173 G174 R228 T229	K165-E169 PolarHBondContact O-N 3.37Å; E166-E169 PolarHBondContact O-N 3.14Å; E169-V171 VanDerWaalsContact C-N 3.32Å; E169-V171 PolarHBondContact O-N 2.75Å; E169-V173 HydrophobicContact CG-CG2 4.37Å; E169-V173 WeakPolarHBondContact O-CA 3.3Å; E169-V173 VanDerWaalsContact O-CB 3.3Å; E169-V173 WeakPolarHBondContact O-CB 3.45Å; E169-V173 PolarHBondContact O-N 3.32Å; E169-G174 PolarHBondContact O-N 3.41Å; E169-R228 IonicContact OE1-NH1 2.77Å; E169-R228 IonicContact OE2-CZ 2.98Å; E169-R228 IonicContact OE2-NH1 3.37Å; E169-R228 IonicContact OE2-NH2 3.88Å; E169-R228 PolarHBondContact OE2-NH2 3.32Å; E169-T229 HydrophobicContact CB-CG2 4.29Å; E169-T229 HydrophobicContact CG-CG2 4.48Å; E169-T229 WeakPolarHBondContact OE2-CG2 3.25Å
170	S	97.8	Very high	92.3	Very high	49 Å²	49	46.4 Å²	46.4	34%	0.343	24%	0.236	S	C	.	.	I	π-helix	trans	-58.9	-41.5	-177.7	178.3	0	0	0	0	112.2	R134 E166 G174 G175	R134-S170 WeakPolarHBondContact CD-OG 3.12Å; R134-S170 PolarHBondContact NH1-OG 2.94Å; E166-S170 WeakPolarHBondContact O-CB 3.45Å; E166-S170 PolarHBondContact O-N 2.95Å; S170-G174 CarbonylContact O-C 3.58Å; S170-G174 VanDerWaalsContact O-CA 3.24Å; S170-G174 WeakPolarHBondContact O-CA 3.14Å; S170-G174 PolarHBondContact O-N 3.48Å; S170-G175 PolarHBondContact O-N 2.8Å
171	V	97.9	Very high	93.7	Very high	15 Å²	15	46 Å²	46	9%	0.091	23%	0.231	C	C	.	.	I	π-helix	trans	-79.1	-52	179	176.2	0	0	0	0	111.3	I133 Q167 E169 G175	I133-V171 HydrophobicContact CD1-CG1 4.05Å; Q167-V171 HydrophobicContact CG-CG2 4.39Å; Q167-V171 WeakPolarHBondContact O-CB 3.34Å; Q167-V171 VanDerWaalsContact O-CG2 3.28Å; Q167-V171 WeakPolarHBondContact O-CG2 3.39Å; Q167-V171 PolarHBondContact O-N 3.22Å; E169-V171 VanDerWaalsContact C-N 3.32Å; E169-V171 PolarHBondContact O-N 2.75Å; V171-G175 WeakPolarHBondContact O-CA 3.43Å; V171-G175 PolarHBondContact O-N 3.14Å; V171-G175 VanDerWaalsContact O-N 3.09Å
172	N	98.3	Very high	94.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.217	C	C	.	.	I	π-helix	trans	-75.8	-35.6	-171.2	-64.4	-13.3	0	0	0	112.6	S154 Y155 V168 T176 T229 A233	S154-N172 VanDerWaalsContact CA-OD1 3.32Å; S154-N172 WeakPolarHBondContact CA-OD1 3.48Å; Y155-N172 PolarHBondContact N-OD1 2.81Å; Y155-N172 PolarHBondContact O-ND2 3.46Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.24Å; V168-N172 WeakPolarHBondContact O-CB 3.28Å; V168-N172 PolarHBondContact O-N 2.78Å; N172-T176 VanDerWaalsContact O-CB 3.3Å; N172-T176 WeakPolarHBondContact O-CB 3.47Å; N172-T176 PolarHBondContact O-OG1 2.92Å; N172-T229 PolarHBondContact ND2-OG1 3.41Å; N172-A233 VanDerWaalsContact O-CB 3.24Å; N172-A233 WeakPolarHBondContact O-CB 3.3Å
173	V	98.6	Very high	95.7	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	21%	0.212	C	C	.	.	I	π-helix	trans	-95.6	-55.1	178.9	-178.2	0	0	0	0	109.9	E169 T176 N177 T229 V232 M236	E169-V173 HydrophobicContact CG-CG2 4.37Å; E169-V173 WeakPolarHBondContact O-CA 3.3Å; E169-V173 VanDerWaalsContact O-CB 3.3Å; E169-V173 WeakPolarHBondContact O-CB 3.45Å; E169-V173 PolarHBondContact O-N 3.32Å; V173-T176 PolarHBondContact O-N 2.93Å; V173-N177 PolarHBondContact O-N 3.23Å; V173-T229 HydrophobicContact CG2-CG2 4.02Å; V173-V232 HydrophobicContact CG1-CG1 4.07Å; V173-V232 HydrophobicContact CG2-CB 4.26Å; V173-V232 HydrophobicContact CG2-CG1 4.07Å; V173-M236 HydrophobicContact CG1-CE 4.33Å; V173-M236 HydrophobicContact CG1-SD 3.77Å
174	G	98.5	Very high	96.7	Very high	29 Å²	29	41 Å²	41	30%	0.299	21%	0.205	S	C	.	.	I	π-helix	trans	-63.4	-45.3	-178.5	0	0	0	0	0	112.8	E169 S170 N177 N178	E169-G174 PolarHBondContact O-N 3.41Å; S170-G174 CarbonylContact O-C 3.58Å; S170-G174 VanDerWaalsContact O-CA 3.24Å; S170-G174 WeakPolarHBondContact O-CA 3.14Å; S170-G174 PolarHBondContact O-N 3.48Å; G174-N177 WeakPolarHBondContact O-CB 3.43Å; G174-N177 PolarHBondContact O-N 3.43Å; G174-N178 PolarHBondContact O-N 3.06Å
175	G	98.7	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-64.2	-40.6	175.8	0	0	0	0	0	113.3	S170 V171 N178 V179	S170-G175 PolarHBondContact O-N 2.8Å; V171-G175 WeakPolarHBondContact O-CA 3.43Å; V171-G175 PolarHBondContact O-N 3.14Å; V171-G175 VanDerWaalsContact O-N 3.09Å; G175-N178 WeakPolarHBondContact O-CB 3.26Å; G175-N178 PolarHBondContact O-N 3.18Å; G175-V179 WeakPolarHBondContact O-CG2 3.28Å; G175-V179 PolarHBondContact O-N 2.82Å
176	T	98.9	Very high	97.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-38.8	174.6	-61.8	0	0	0	0	111.9	H151 N172 V173 N178 V179 I180 Y193 A233 V237	H151-T176 PolarHBondContact CD2-OG1 3.29Å; H151-T176 PolarHBondContact NE2-OG1 2.93Å; N172-T176 VanDerWaalsContact O-CB 3.3Å; N172-T176 WeakPolarHBondContact O-CB 3.47Å; N172-T176 PolarHBondContact O-OG1 2.92Å; V173-T176 PolarHBondContact O-N 2.93Å; T176-N178 VanDerWaalsContact C-N 3.31Å; T176-N178 PolarHBondContact O-N 2.79Å; T176-V179 PolarHBondContact O-N 3.43Å; T176-I180 HydrophobicContact CG2-CD1 3.99Å; T176-I180 HydrophobicContact CG2-CG1 4.46Å; T176-I180 WeakPolarHBondContact O-CG1 3.31Å; T176-I180 PolarHBondContact O-N 3.46Å; T176-Y193 HydrophobicContact CG2-CE2 4.49Å; T176-A233 HydrophobicContact CG2-CB 4.06Å; T176-V237 HydrophobicContact CG2-CG2 3.66Å
177	N	98.8	Very high	97.9	Very high	68 Å²	68	30.2 Å²	30.2	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-57.1	-45.8	172.8	-170.5	59.8	0	0	0	111.5	V173 G174 V179 I180 N181 M236	V173-N177 PolarHBondContact O-N 3.23Å; G174-N177 WeakPolarHBondContact O-CB 3.43Å; G174-N177 PolarHBondContact O-N 3.43Å; N177-V179 VanDerWaalsContact C-N 3.34Å; N177-V179 PolarHBondContact O-N 3.16Å; N177-I180 PolarHBondContact O-N 2.78Å; N177-N181 PolarHBondContact ND2-ND2 3.01Å; N177-N181 VanDerWaalsContact O-CG 3.3Å; N177-N181 PolarHBondContact O-N 2.89Å; N177-N181 PolarHBondContact O-ND2 2.87Å; N177-M236 HydrophobicContact CB-CE 3.59Å
178	N	98.9	Very high	98.2	Very high	28 Å²	28	27.4 Å²	27.4	15%	0.15	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-42.7	176.4	-74.4	-5.3	0	0	0	112	I133 R134 Y136 L139 G174 G175 T176 N181 V182	I133-N178 WeakPolarHBondContact O-CB 3.33Å; I133-N178 PolarHBondContact O-ND2 3.25Å; R134-N178 WeakPolarHBondContact CA-ND2 3.35Å; R134-N178 PolarHBondContact O-ND2 2.82Å; Y136-N178 HydrophobicContact CD2-CB 3.89Å; Y136-N178 HydrophobicContact CE2-CB 4.49Å; L139-N178 HydrophobicContact CD2-CB 3.9Å; G174-N178 PolarHBondContact O-N 3.06Å; G175-N178 WeakPolarHBondContact O-CB 3.26Å; G175-N178 PolarHBondContact O-N 3.18Å; T176-N178 VanDerWaalsContact C-N 3.31Å; T176-N178 PolarHBondContact O-N 2.79Å; N178-N181 PolarHBondContact O-N 3.1Å; N178-V182 PolarHBondContact O-N 3.02Å
179	V	98.9	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-42	176.2	172.5	0	0	0	0	111.6	T89 L139 I149 H151 G175 T176 N177 V182 C183 L191	T89-V179 HydrophobicContact CG2-CG2 4.35Å; L139-V179 HydrophobicContact CD2-CG2 4.11Å; I149-V179 HydrophobicContact CD1-CG1 4.23Å; I149-V179 HydrophobicContact CG2-CG1 4.02Å; H151-V179 HydrophobicContact CB-CG1 4.28Å; G175-V179 WeakPolarHBondContact O-CG2 3.28Å; G175-V179 PolarHBondContact O-N 2.82Å; T176-V179 PolarHBondContact O-N 3.43Å; N177-V179 VanDerWaalsContact C-N 3.34Å; N177-V179 PolarHBondContact O-N 3.16Å; V179-V182 VanDerWaalsContact O-CG1 3.26Å; V179-V182 WeakPolarHBondContact O-CG1 3.35Å; V179-C183 PolarHBondContact O-N 2.85Å; V179-C183 VanDerWaalsContact O-N 3.11Å; V179-C183 PolarHBondContact O-SG 3.09Å; V179-L191 HydrophobicContact CG1-CD1 3.76Å; V179-L191 HydrophobicContact CG1-CD2 4.46Å
180	I	98.9	Very high	98.4	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-45.4	176.3	-68.9	164	0	0	0	110.8	T176 N177 C183 K184 L191 M236 V237 A240	T176-I180 HydrophobicContact CG2-CD1 3.99Å; T176-I180 HydrophobicContact CG2-CG1 4.46Å; T176-I180 WeakPolarHBondContact O-CG1 3.31Å; T176-I180 PolarHBondContact O-N 3.46Å; N177-I180 PolarHBondContact O-N 2.78Å; I180-C183 WeakPolarHBondContact O-CB 3.18Å; I180-C183 PolarHBondContact O-N 3.12Å; I180-K184 HydrophobicContact CG2-CD 4.44Å; I180-K184 WeakPolarHBondContact O-CG 2.95Å; I180-K184 PolarHBondContact O-N 3.26Å; I180-L191 HydrophobicContact CG1-CD2 4.09Å; I180-M236 HydrophobicContact CD1-CB 3.88Å; I180-V237 HydrophobicContact CD1-CG2 4.03Å; I180-V237 HydrophobicContact CG1-CG2 4.37Å; I180-A240 HydrophobicContact CD1-CB 4.33Å; I180-A240 HydrophobicContact CG1-CB 4.34Å; I180-A240 HydrophobicContact CG2-CB 3.54Å
181	N	98.8	Very high	98.4	Very high	48 Å²	48	26.3 Å²	26.3	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-42.8	-178.5	-69.2	-23.8	0	0	0	111.9	Y136 N177 N178 C183 K184 E185	Y136-N181 HydrophobicContact CE2-CB 4.09Å; N177-N181 PolarHBondContact ND2-ND2 3.01Å; N177-N181 VanDerWaalsContact O-CG 3.3Å; N177-N181 PolarHBondContact O-N 2.89Å; N177-N181 PolarHBondContact O-ND2 2.87Å; N178-N181 PolarHBondContact O-N 3.1Å; N181-C183 VanDerWaalsContact C-N 3.28Å; N181-C183 PolarHBondContact O-N 3.5Å; N181-K184 PolarHBondContact O-N 2.83Å; N181-K184 VanDerWaalsContact O-N 3.12Å; N181-E185 PolarHBondContact O-N 2.97Å
182	V	98.7	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-34.8	177.3	75.8	0	0	0	0	111.5	Y136 L139 H140 C143 I149 N178 V179 K184 E185 R186	Y136-V182 HydrophobicContact CE2-CB 4.22Å; L139-V182 HydrophobicContact CD2-CB 4.4Å; L139-V182 HydrophobicContact CD2-CG1 3.94Å; L139-V182 HydrophobicContact CG-CB 4.43Å; L139-V182 HydrophobicContact CG-CG1 4.03Å; H140-V182 HydrophobicContact CB-CG2 4.27Å; C143-V182 HydrophobicContact CB-CG2 3.5Å; C143-V182 VanDerWaalsContact CB-CG2 3.5Å; I149-V182 HydrophobicContact CD1-CG1 4.17Å; N178-V182 PolarHBondContact O-N 3.02Å; V179-V182 VanDerWaalsContact O-CG1 3.26Å; V179-V182 WeakPolarHBondContact O-CG1 3.35Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 2.95Å; V182-E185 PolarHBondContact O-N 3.11Å; V182-R186 HydrophobicContact CG2-CG 3.83Å; V182-R186 VanDerWaalsContact O-CB 3.27Å; V182-R186 WeakPolarHBondContact O-CB 3.35Å; V182-R186 PolarHBondContact O-N 3.11Å
183	C	98.8	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-48	172.6	-73.8	0	0	0	0	111.3	V179 I180 N181 G187 I188 L251	V179-C183 PolarHBondContact O-N 2.85Å; V179-C183 VanDerWaalsContact O-N 3.11Å; V179-C183 PolarHBondContact O-SG 3.09Å; I180-C183 WeakPolarHBondContact O-CB 3.18Å; I180-C183 PolarHBondContact O-N 3.12Å; N181-C183 VanDerWaalsContact C-N 3.28Å; N181-C183 PolarHBondContact O-N 3.5Å; C183-G187 PolarHBondContact O-N 2.82Å; C183-G187 VanDerWaalsContact O-N 3.1Å; C183-I188 HydrophobicContact CB-CB 4.18Å; C183-I188 PolarHBondContact O-N 2.79Å; C183-L251 HydrophobicContact CB-CD1 3.87Å; C183-L251 HydrophobicContact CB-CD2 4.19Å
184	K	98.5	Very high	98.5	Very high	60 Å²	60	25 Å²	25	26%	0.261	14%	0.135	S	C	.	.	H	α-helix	trans	-63.5	-46.5	179.2	-65.1	173.9	-176	-175.4	0	111.7	I180 N181 V182 S243 K246 L251	I180-K184 HydrophobicContact CG2-CD 4.44Å; I180-K184 WeakPolarHBondContact O-CG 2.95Å; I180-K184 PolarHBondContact O-N 3.26Å; N181-K184 PolarHBondContact O-N 2.83Å; N181-K184 VanDerWaalsContact O-N 3.12Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 2.95Å; K184-S243 WeakPolarHBondContact CE-OG 3.34Å; K184-S243 PolarHBondContact NZ-OG 3.2Å; K184-K246 WeakPolarHBondContact O-CB 3.44Å; K184-K246 PolarHBondContact O-N 2.93Å; K184-L251 HydrophobicContact CG-CD2 4.42Å
185	E	98.3	Very high	98.5	Very high	88 Å²	88	23.8 Å²	23.8	41%	0.411	12%	0.122	S	C	.	.	H	α-helix	trans	-76	-30.6	-175.1	-71.5	179.5	-164.7	0	0	114.1	Y136 H140 N181 V182 K246	Y136-E185 PolarHBondContact OH-OE1 3.28Å; Y136-E185 PolarHBondContact OH-OE2 3.08Å; H140-E185 IonicContact CD2-OE2 2.57Å; N181-E185 PolarHBondContact O-N 2.97Å; V182-E185 PolarHBondContact O-N 3.11Å; E185-K246 WeakPolarHBondContact O-CB 3.41Å; E185-K246 WeakPolarHBondContact O-CD 3.45Å
186	R	97.8	Very high	98.4	Very high	72 Å²	72	24.4 Å²	24.4	27%	0.272	13%	0.126	S	C	.	.	H	α-helix	trans	-93.5	-1.4	177.5	-70.5	-61.9	-160.9	162.1	4.7	114.2	H140 C143 E144 V182 I188	H140-R186 PolarHBondContact CE1-NE 2.89Å; H140-R186 PolarHBondContact CE1-NH2 2.74Å; H140-R186 PolarHBondContact ND1-NE 2.95Å; H140-R186 PolarHBondContact ND1-NH2 3.1Å; H140-R186 PolarHBondContact NE2-NE 2.98Å; H140-R186 VanDerWaalsContact O-CZ 3.22Å; H140-R186 PolarHBondContact O-NE 2.86Å; H140-R186 PolarHBondContact O-NH2 2.94Å; C143-R186 HydrophobicContact CB-CG 4.1Å; E144-R186 IonicContact OE1-NH1 2.6Å; V182-R186 HydrophobicContact CG2-CG 3.83Å; V182-R186 VanDerWaalsContact O-CB 3.27Å; V182-R186 WeakPolarHBondContact O-CB 3.35Å; V182-R186 PolarHBondContact O-N 3.11Å; R186-I188 HydrophobicContact CB-CD1 4.18Å; R186-I188 HydrophobicContact CB-CG1 3.97Å
187	G	97.4	Very high	98.2	Very high	23 Å²	23	24.8 Å²	24.8	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	25.4	178.6	0	0	0	0	0	113.5	C183 P189 K246	C183-G187 PolarHBondContact O-N 2.82Å; C183-G187 VanDerWaalsContact O-N 3.1Å; G187-P189 WeakPolarHBondContact O-CD 3.37Å; G187-K246 WeakPolarHBondContact CA-O 3.32Å
188	I	98.1	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.			trans	-80.6	116.4	-177.9	-50.4	178.3	0	0	0	108.2	C143 V146 I149 C183 R186 L251	C143-I188 HydrophobicContact CB-CD1 3.9Å; V146-I188 HydrophobicContact CB-CD1 3.96Å; V146-I188 HydrophobicContact CB-CG1 4.48Å; V146-I188 HydrophobicContact CG1-CD1 4.1Å; V146-I188 HydrophobicContact CG1-CG2 4.33Å; V146-I188 WeakPolarHBondContact O-CG1 3.19Å; I149-I188 HydrophobicContact CD1-CD1 3.72Å; I149-I188 HydrophobicContact CG1-CD1 4.05Å; I149-I188 HydrophobicContact CG1-CG2 4.27Å; C183-I188 HydrophobicContact CB-CB 4.18Å; C183-I188 PolarHBondContact O-N 2.79Å; R186-I188 HydrophobicContact CB-CD1 4.18Å; R186-I188 HydrophobicContact CB-CG1 3.97Å; I188-L251 WeakPolarHBondContact O-CD1 3.41Å
189	P	96.8	Very high	97.8	Very high	50 Å²	50	21.4 Å²	21.4	33%	0.325	11%	0.11	S	C	.	.			trans	-83.1	-14.9	-169	31.7	-35.8	0	0	0	113.8	D147 G187 E252	D147-P189 WeakPolarHBondContact O-CD 3.32Å; G187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-E252 PolarHBondContact O-N 3.19Å
190	R	98.4	Very high	97.7	Very high	38 Å²	38	21.8 Å²	21.8	14%	0.143	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.7	-169.7	-64.1	-178.3	-64.7	157.3	-1.7	112.9	D147 C148 I149 E252 A309 L312	D147-R190 PolarHBondContact O-NE 3Å; C148-R190 WeakPolarHBondContact CA-O 3.47Å; C148-R190 HydrophobicContact CB-CB 4.09Å; I149-R190 PolarHBondContact N-O 3.09Å; R190-E252 WeakPolarHBondContact CA-O 3.4Å; R190-A309 PolarHBondContact NH1-O 3.4Å; R190-L312 HydrophobicContact CB-CB 4.47Å; R190-L312 HydrophobicContact CB-CD1 4.22Å; R190-L312 HydrophobicContact CG-CB 3.93Å
191	L	98.9	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	115.1	175.9	175.2	61.2	0	0	0	110.6	I149 H151 V179 I180 V237 L251 E252 T253 C254	I149-L191 HydrophobicContact CB-CD1 3.95Å; I149-L191 HydrophobicContact CG2-CD1 3.99Å; H151-L191 HydrophobicContact CB-CD1 3.89Å; V179-L191 HydrophobicContact CG1-CD1 3.76Å; V179-L191 HydrophobicContact CG1-CD2 4.46Å; I180-L191 HydrophobicContact CG1-CD2 4.09Å; L191-V237 HydrophobicContact CD2-CG1 4.18Å; L191-V237 HydrophobicContact CD2-CG2 4.3Å; L191-L251 HydrophobicContact CB-CD1 4.13Å; L191-E252 PolarHBondContact N-O 3.32Å; L191-T253 HydrophobicContact CB-CG2 4.27Å; L191-T253 HydrophobicContact CD2-CG2 4.43Å; L191-T253 CarbonylContact O-C 3.41Å; L191-T253 VanDerWaalsContact O-CA 3.27Å; L191-T253 WeakPolarHBondContact O-CA 3.35Å; L191-C254 PolarHBondContact O-N 2.81Å
192	V	98.9	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121	170.3	-178.7	0	0	0	0	108.4	I149 F150 H151 C254 L256 A308 A309 L312	I149-V192 PolarHBondContact O-N 3.03Å; F150-V192 CarbonylContact C-O 3.56Å; F150-V192 HydrophobicContact CD1-CB 3.88Å; F150-V192 HydrophobicContact CD1-CG1 4.22Å; F150-V192 HydrophobicContact CD1-CG2 4.27Å; F150-V192 HydrophobicContact CE1-CB 4.27Å; F150-V192 HydrophobicContact CE1-CG2 4.16Å; H151-V192 PolarHBondContact N-O 2.84Å; V192-C254 CarbonylContact C-O 3.42Å; V192-C254 WeakPolarHBondContact CA-O 3.27Å; V192-L256 HydrophobicContact CG1-CD1 4.19Å; V192-L256 HydrophobicContact CG1-CG 4.47Å; V192-A308 HydrophobicContact CG1-CB 4.16Å; V192-A308 HydrophobicContact CG2-CB 4.35Å; V192-A309 HydrophobicContact CG2-CB 4.03Å; V192-L312 HydrophobicContact CG2-CD1 3.81Å
193	Y	98.9	Very high	96.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.8	-178.2	177	-117.6	0	0	0	111.5	H151 T176 S195 K230 A233 E234 V237 C254 V255 L256	H151-Y193 HydrophobicContact CB-CD2 4.12Å; H151-Y193 AromaticContact CD2-CD2 3.37Å; H151-Y193 WeakPolarHBondContact CD2-CD2 3.31Å; H151-Y193 AromaticContact CD2-CE2 3.53Å; H151-Y193 AromaticContact CG-CD2 3.99Å; T176-Y193 HydrophobicContact CG2-CE2 4.49Å; Y193-S195 PolarHBondContact O-N 3.12Å; Y193-K230 WeakPolarHBondContact OH-CE 3.38Å; Y193-K230 PolarHBondContact OH-NZ 3.08Å; Y193-A233 WeakPolarHBondContact OH-CB 3.48Å; Y193-E234 HydrophobicContact CE1-CB 3.97Å; Y193-V237 HydrophobicContact CD1-CG2 4.2Å; Y193-V237 HydrophobicContact CD2-CG2 4.28Å; Y193-V237 HydrophobicContact CG-CG2 3.95Å; Y193-C254 PolarHBondContact N-O 3.05Å; Y193-V255 HydrophobicContact CD1-CG1 4.27Å; Y193-V255 HydrophobicContact CD1-CG2 4.17Å; Y193-L256 PolarHBondContact O-N 3.24Å
194	T	98.8	Very high	95.7	Very high	13 Å²	13	28.9 Å²	28.9	8%	0.08	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.6	173.1	-45.1	0	0	0	0	109.3	F95 H151 T152 K230 P258 H305	F95-T194 HydrophobicContact CD1-CG2 4.43Å; F95-T194 HydrophobicContact CE1-CG2 4.16Å; H151-T194 PolarHBondContact O-N 2.89Å; H151-T194 VanDerWaalsContact O-N 3.09Å; T152-T194 WeakPolarHBondContact CG2-OG1 3.37Å; T194-K230 WeakPolarHBondContact O-CE 3.48Å; T194-K230 PolarHBondContact O-NZ 3.26Å; T194-P258 HydrophobicContact CG2-CG 4.07Å; T194-H305 PolarHBondContact OG1-NE2 3.49Å
195	S	98.1	Very high	95.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.021	17%	0.167	C	C	.	.			trans	-96.3	-146.1	172.3	-165.6	0	0	0	0	111.1	Y193 V199 E234 L256 P258	Y193-S195 PolarHBondContact O-N 3.12Å; S195-V199 WeakPolarHBondContact OG-CG1 3.49Å; S195-E234 WeakPolarHBondContact CB-OE2 3.43Å; S195-E234 PolarHBondContact OG-OE2 2.77Å; S195-L256 CarbonylContact C-O 3.55Å; S195-L256 WeakPolarHBondContact CA-O 3.38Å; S195-L256 WeakPolarHBondContact CB-O 3.39Å; S195-L256 PolarHBondContact N-O 2.49Å; S195-P258 WeakPolarHBondContact O-CD 3.39Å
196	T	96.6	Very high	95.2	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.086	15%	0.154	C	C	.	.			trans	-160.5	153	-179.7	176.8	0	0	0	0	110.6	N198 V199 Y226 K230	T196-N198 HydrophobicContact CG2-CB 3.89Å; T196-N198 PolarHBondContact O-N 3.31Å; T196-N198 PolarHBondContact OG1-N 2.66Å; T196-V199 HydrophobicContact CG2-CG1 3.89Å; T196-V199 VanDerWaalsContact O-CG2 3.23Å; T196-V199 WeakPolarHBondContact O-CG2 3.44Å; T196-V199 PolarHBondContact O-N 2.97Å; T196-Y226 HydrophobicContact CG2-CE1 4.06Å; T196-K230 HydrophobicContact CG2-CB 4.16Å; T196-K230 HydrophobicContact CG2-CG 4.37Å
197	I	95.8	Very high	95.1	Very high	8 Å²	8	29 Å²	29	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.5	-21.7	169	59.7	167.7	0	0	0	113.3	V199 V200 F201 P258 C259 F326 F398	I197-V199 PolarHBondContact O-N 3.4Å; I197-V199 VanDerWaalsContact O-N 3.08Å; I197-V200 WeakPolarHBondContact O-CG2 3.21Å; I197-V200 PolarHBondContact O-N 3.39Å; I197-F201 WeakPolarHBondContact O-CB 3.24Å; I197-F201 PolarHBondContact O-N 2.93Å; I197-P258 PolarHBondContact N-O 3.03Å; I197-P258 VanDerWaalsContact N-O 3.1Å; I197-C259 HydrophobicContact CD1-CB 3.9Å; I197-C259 HydrophobicContact CG1-CB 4.49Å; I197-C259 HydrophobicContact CG2-CB 4.34Å; I197-F326 HydrophobicContact CG2-CD1 3.96Å; I197-F326 HydrophobicContact CG2-CE1 4.15Å; I197-F398 HydrophobicContact CB-CD2 4.48Å; I197-F398 HydrophobicContact CB-CE2 3.88Å; I197-F398 HydrophobicContact CB-CZ 4.17Å; I197-F398 HydrophobicContact CD1-CE2 3.98Å; I197-F398 HydrophobicContact CG2-CD2 3.93Å; I197-F398 HydrophobicContact CG2-CE2 3.84Å; I197-F398 HydrophobicContact CG2-CZ 4.37Å
198	N	93.3	Very high	95	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-67.3	-10.1	-179.5	-60.7	-10.4	0	0	0	113.6	T196 S227	T196-N198 HydrophobicContact CG2-CB 3.89Å; T196-N198 PolarHBondContact O-N 3.31Å; T196-N198 PolarHBondContact OG1-N 2.66Å; N198-S227 VanDerWaalsContact CB-OG 3.25Å; N198-S227 WeakPolarHBondContact CB-OG 3.49Å
199	V	96	Very high	95	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-72	-21.7	171.6	-52.5	0	0	0	0	112.3	S195 T196 I197 Y216 V217 K230 A231 R257	S195-V199 WeakPolarHBondContact OG-CG1 3.49Å; T196-V199 HydrophobicContact CG2-CG1 3.89Å; T196-V199 VanDerWaalsContact O-CG2 3.23Å; T196-V199 WeakPolarHBondContact O-CG2 3.44Å; T196-V199 PolarHBondContact O-N 2.97Å; I197-V199 PolarHBondContact O-N 3.4Å; I197-V199 VanDerWaalsContact O-N 3.08Å; V199-Y216 HydrophobicContact CB-CD1 4.19Å; V199-Y216 HydrophobicContact CB-CE1 4.24Å; V199-Y216 HydrophobicContact CG2-CD1 4.23Å; V199-Y216 HydrophobicContact CG2-CE1 4.08Å; V199-V217 PolarHBondContact O-N 3Å; V199-K230 HydrophobicContact CG1-CB 3.97Å; V199-A231 HydrophobicContact CB-CB 3.9Å; V199-A231 HydrophobicContact CG1-CB 4.03Å; V199-R257 HydrophobicContact CG2-CG 4.39Å
200	V	95.2	Very high	95	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-4.8	179.2	-62	0	0	0	0	113.6	I197 V214 V217 R257 F326 F398	I197-V200 WeakPolarHBondContact O-CG2 3.21Å; I197-V200 PolarHBondContact O-N 3.39Å; V200-V214 HydrophobicContact CB-CG1 3.68Å; V200-V214 HydrophobicContact CG1-CG1 4.39Å; V200-V214 HydrophobicContact CG2-CG1 3.97Å; V200-V217 WeakPolarHBondContact O-CG2 3.18Å; V200-R257 VanDerWaalsContact CG1-NH1 3.32Å; V200-F326 HydrophobicContact CG2-CE1 3.82Å; V200-F326 HydrophobicContact CG2-CZ 3.86Å; V200-F398 HydrophobicContact CG2-CE1 3.79Å; V200-F398 HydrophobicContact CG2-CZ 4.04Å
201	F	92.3	Very high	94.9	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	18%	0.18	C	C	.	.			trans	-124.7	125.9	-178	175.4	-110.1	0	0	0	112	I197 K204 I206 N391 V394 H396 F398	I197-F201 WeakPolarHBondContact O-CB 3.24Å; I197-F201 PolarHBondContact O-N 2.93Å; F201-K204 WeakPolarHBondContact CD2-O 3.18Å; F201-K204 WeakPolarHBondContact CE2-O 3.31Å; F201-I206 HydrophobicContact CB-CD1 4.23Å; F201-I206 HydrophobicContact CD2-CD1 4.01Å; F201-N391 HydrophobicContact CE1-CB 4.14Å; F201-N391 WeakPolarHBondContact CE1-OD1 3.26Å; F201-V394 HydrophobicContact CE2-CG2 3.81Å; F201-V394 HydrophobicContact CZ-CG2 3.74Å; F201-H396 HydrophobicContact CD2-CB 3.85Å; F201-H396 HydrophobicContact CE1-CB 4.31Å; F201-H396 HydrophobicContact CE2-CB 3.62Å; F201-H396 HydrophobicContact CG-CB 4.3Å; F201-H396 HydrophobicContact CZ-CB 3.87Å; F201-H396 AromaticContact CZ-CG 3.85Å; F201-H396 AromaticContact CZ-ND1 3.8Å; F201-F398 HydrophobicContact CB-CZ 4.43Å
202	A	89.1	Confident	94.8	Very high	25 Å²	25	36.4 Å²	36.4	21%	0.207	22%	0.219	C	C	.	.	S	Bend	trans	-138.3	44.1	177.6	0	0	0	0	0	112.2	V217	A202-V217 HydrophobicContact CB-CB 4.41Å; A202-V217 HydrophobicContact CB-CG1 3.68Å; A202-V217 HydrophobicContact CB-CG2 3.84Å
203	G	85	Confident	94.6	Very high	22 Å²	22	39.9 Å²	39.9	23%	0.227	24%	0.244	C	C	.	.	S	Bend	trans	82.5	12.6	174.9	0	0	0	0	0	115.6
204	K	88.1	Confident	94.4	Very high	151 Å²	151	40.6 Å²	40.6	66%	0.657	25%	0.248	S	C	*	.	S	Bend	trans	-96.1	136.7	166.4	-68.9	-173.9	-179.9	179.5	0	109.4	F201 I206	F201-K204 WeakPolarHBondContact CD2-O 3.18Å; F201-K204 WeakPolarHBondContact CE2-O 3.31Å; K204-I206 PolarHBondContact O-N 2.99Å
205	P	91.8	Very high	94.2	Very high	92 Å²	92	44.8 Å²	44.8	60%	0.597	28%	0.275	S	S	*	.			trans	-57.4	136.6	-179	-21.3	29.4	0	0	0	112.5	V394 S395	P205-V394 HydrophobicContact CB-CB 4.45Å; P205-V394 HydrophobicContact CG-CB 4.02Å; P205-V394 HydrophobicContact CG-CG1 4.09Å; P205-S395 CarbonylContact C-O 3.55Å; P205-S395 VanDerWaalsContact CA-O 3.23Å; P205-S395 WeakPolarHBondContact CA-O 3.2Å
206	I	95	Very high	94.1	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.4	171.5	-61	169.8	0	0	0	106.8	F201 K204 V214 S395 H396 T397 F398	F201-I206 HydrophobicContact CB-CD1 4.23Å; F201-I206 HydrophobicContact CD2-CD1 4.01Å; K204-I206 PolarHBondContact O-N 2.99Å; I206-V214 HydrophobicContact CD1-CG1 3.75Å; I206-V214 HydrophobicContact CG2-CG2 4.09Å; I206-S395 PolarHBondContact N-O 3.09Å; I206-S395 CarbonylContact O-C 3.46Å; I206-H396 CarbonylContact O-C 3.52Å; I206-H396 WeakPolarHBondContact O-CA 3.16Å; I206-H396 PolarHBondContact O-N 3.36Å; I206-T397 PolarHBondContact O-N 3.04Å; I206-F398 HydrophobicContact CD1-CE1 4Å; I206-F398 HydrophobicContact CD1-CZ 3.87Å; I206-F398 HydrophobicContact CG2-CD1 4.41Å; I206-F398 HydrophobicContact CG2-CE1 3.96Å; I206-F398 HydrophobicContact CG2-CZ 4.34Å
207	V	95.3	Very high	94	Very high	105 Å²	105	48 Å²	48	64%	0.636	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.1	177.5	-177.6	0	0	0	0	108.2	G209	V207-G209 PolarHBondContact O-N 3.2Å
208	D	95.5	Very high	93.8	Very high	75 Å²	75	50.9 Å²	50.9	40%	0.401	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.6	45	178	-56.8	-24.5	0	0	0	112.5	T397 K399	D208-T397 WeakPolarHBondContact CA-O 3.42Å; D208-T397 PolarHBondContact N-O 3.14Å; D208-T397 PolarHBondContact N-OG1 3.39Å; D208-T397 PolarHBondContact OD1-OG1 2.84Å; D208-K399 HydrophobicContact CB-CD 4.43Å; D208-K399 HydrophobicContact CB-CG 3.99Å; D208-K399 WeakPolarHBondContact O-CD 3.36Å; D208-K399 WeakPolarHBondContact O-CE 3.4Å; D208-K399 WeakPolarHBondContact O-CG 3.29Å
209	G	97	Very high	93.5	Very high	4 Å²	4	53.7 Å²	53.7	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	150.8	175.7	0	0	0	0	0	112.2	V207 T397 F398 K399	V207-G209 PolarHBondContact O-N 3.2Å; G209-T397 PolarHBondContact N-O 3.35Å; G209-F398 CarbonylContact O-C 3.54Å; G209-F398 WeakPolarHBondContact O-CA 3.34Å; G209-K399 PolarHBondContact O-N 3.48Å
210	D	97.3	Very high	93	Very high	47 Å²	47	59.7 Å²	59.7	25%	0.251	36%	0.361	S	S	.	.			trans	-128.4	176.6	177.2	60.6	34	0	0	0	110.9	A212 S213 V214 F326 K399	D210-A212 PolarHBondContact O-N 3.38Å; D210-A212 VanDerWaalsContact O-N 3.15Å; D210-A212 PolarHBondContact OD1-N 3.39Å; D210-A212 VanDerWaalsContact OD1-N 3.17Å; D210-S213 VanDerWaalsContact CG-OG 3.24Å; D210-S213 PolarHBondContact N-OG 3.39Å; D210-S213 PolarHBondContact O-N 3.4Å; D210-S213 PolarHBondContact O-OG 2.88Å; D210-S213 VanDerWaalsContact OD1-CB 3.23Å; D210-S213 WeakPolarHBondContact OD1-CB 3.15Å; D210-S213 PolarHBondContact OD1-N 3.07Å; D210-S213 PolarHBondContact OD1-OG 3.24Å; D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.98Å; D210-V214 VanDerWaalsContact O-N 3.11Å; D210-F326 VanDerWaalsContact C-CE2 3.48Å; D210-K399 HydrophobicContact CB-CB 4.46Å
211	E	96.9	Very high	92.6	Very high	42 Å²	42	63.4 Å²	63.4	20%	0.196	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-173.4	-64.3	82	-177.6	0	0	113.5	V324 Y325 F326 K402	E211-V324 WeakPolarHBondContact CG-O 3.24Å; E211-Y325 VanDerWaalsContact OE1-CA 3.28Å; E211-Y325 WeakPolarHBondContact OE1-CA 3.41Å; E211-F326 HydrophobicContact CG-CD2 3.97Å; E211-F326 HydrophobicContact CG-CE2 4.08Å; E211-F326 WeakPolarHBondContact OE1-CD2 3.39Å; E211-F326 PolarHBondContact OE1-N 3.42Å; E211-K402 HydrophobicContact CB-CD 4.5Å; E211-K402 HydrophobicContact CG-CD 4.16Å
212	A	95.3	Very high	92.3	Very high	100 Å²	100	64.4 Å²	64.4	83%	0.826	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-33.7	179.7	0	0	0	0	0	112.8	D210	D210-A212 PolarHBondContact O-N 3.38Å; D210-A212 VanDerWaalsContact O-N 3.15Å; D210-A212 PolarHBondContact OD1-N 3.39Å; D210-A212 VanDerWaalsContact OD1-N 3.17Å
213	S	95.1	Very high	91.6	Very high	73 Å²	73	65.7 Å²	65.7	51%	0.51	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-22.5	-176.3	55.5	0	0	0	0	113.6	D210 P215	D210-S213 VanDerWaalsContact CG-OG 3.24Å; D210-S213 PolarHBondContact N-OG 3.39Å; D210-S213 PolarHBondContact O-N 3.4Å; D210-S213 PolarHBondContact O-OG 2.88Å; D210-S213 VanDerWaalsContact OD1-CB 3.23Å; D210-S213 WeakPolarHBondContact OD1-CB 3.15Å; D210-S213 PolarHBondContact OD1-N 3.07Å; D210-S213 PolarHBondContact OD1-OG 3.24Å; S213-P215 WeakPolarHBondContact O-CD 3.48Å
214	V	95	Very high	91.5	Very high	15 Å²	15	65.5 Å²	65.5	9%	0.091	38%	0.381	C	S	.	.			trans	-109.6	104.3	-176	-161.6	0	0	0	0	111.8	V200 I206 D210 F398	V200-V214 HydrophobicContact CB-CG1 3.68Å; V200-V214 HydrophobicContact CG1-CG1 4.39Å; V200-V214 HydrophobicContact CG2-CG1 3.97Å; I206-V214 HydrophobicContact CD1-CG1 3.75Å; I206-V214 HydrophobicContact CG2-CG2 4.09Å; D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.98Å; D210-V214 VanDerWaalsContact O-N 3.11Å; V214-F398 HydrophobicContact CG1-CE1 4.38Å; V214-F398 HydrophobicContact CG2-CE1 4.32Å
215	P	94.8	Very high	91.6	Very high	101 Å²	101	60.8 Å²	60.8	66%	0.656	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-73.8	164.8	177.6	32.2	-35.7	0	0	0	111.8	S213	S213-P215 WeakPolarHBondContact O-CD 3.48Å
216	Y	95.9	Very high	91.6	Very high	66 Å²	66	57 Å²	57	26%	0.259	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-56.5	145	166.6	-73.5	-78.3	0	0	0	111.1	V199 A231 E234 Q235 L238	V199-Y216 HydrophobicContact CB-CD1 4.19Å; V199-Y216 HydrophobicContact CB-CE1 4.24Å; V199-Y216 HydrophobicContact CG2-CD1 4.23Å; V199-Y216 HydrophobicContact CG2-CE1 4.08Å; Y216-A231 HydrophobicContact CD1-CB 4.19Å; Y216-A231 HydrophobicContact CE1-CB 4.46Å; Y216-E234 HydrophobicContact CE1-CB 4.49Å; Y216-E234 HydrophobicContact CE1-CG 4.42Å; Y216-E234 VanDerWaalsContact CE1-OE1 3.23Å; Y216-E234 WeakPolarHBondContact CE1-OE1 3.17Å; Y216-E234 VanDerWaalsContact CZ-OE1 3.26Å; Y216-E234 WeakPolarHBondContact OH-CG 3.39Å; Y216-E234 PolarHBondContact OH-OE1 3.43Å; Y216-Q235 HydrophobicContact CE1-CG 4.28Å; Y216-Q235 HydrophobicContact CE2-CG 3.97Å; Y216-L238 WeakPolarHBondContact OH-CD1 3.41Å
217	V	93.9	Very high	91.5	Very high	19 Å²	19	55.9 Å²	55.9	12%	0.115	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67.5	132.7	167.8	176.2	0	0	0	0	108.4	V199 V200 A202 L221 H222	V199-V217 PolarHBondContact O-N 3Å; V200-V217 WeakPolarHBondContact O-CG2 3.18Å; A202-V217 HydrophobicContact CB-CB 4.41Å; A202-V217 HydrophobicContact CB-CG1 3.68Å; A202-V217 HydrophobicContact CB-CG2 3.84Å; V217-L221 HydrophobicContact CG1-CB 3.75Å; V217-H222 PolarHBondContact O-NE2 3.49Å
218	P	92	Very high	91.5	Very high	68 Å²	68	54 Å²	54	44%	0.442	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-54.4	142.4	171.2	-27.7	35.3	0	0	0	112.3	D220 L221	P218-D220 VanDerWaalsContact CB-OD1 3.25Å; P218-D220 WeakPolarHBondContact CB-OD1 3.33Å; P218-D220 PolarHBondContact O-N 2.68Å; P218-L221 HydrophobicContact CB-CB 4.49Å; P218-L221 HydrophobicContact CB-CD1 4.17Å; P218-L221 HydrophobicContact CB-CG 4.16Å; P218-L221 HydrophobicContact CG-CD1 3.93Å; P218-L221 HydrophobicContact CG-CG 4.47Å; P218-L221 PolarHBondContact O-N 3.2Å
219	S	87.1	Confident	91.6	Very high	85 Å²	85	50.5 Å²	50.5	59%	0.594	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.2	-170.2	64.1	0	0	0	0	114.7
220	D	86.4	Confident	91.6	Very high	126 Å²	126	50.4 Å²	50.4	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.8	179.6	59.4	-58.1	0	0	0	113.6	P218	P218-D220 VanDerWaalsContact CB-OD1 3.25Å; P218-D220 WeakPolarHBondContact CB-OD1 3.33Å; P218-D220 PolarHBondContact O-N 2.68Å
221	L	86.9	Confident	91.7	Very high	85 Å²	85	48.3 Å²	48.3	45%	0.445	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.6	-179.4	-62.3	-174.5	0	0	0	113.5	V217 P218 I223	V217-L221 HydrophobicContact CG1-CB 3.75Å; P218-L221 HydrophobicContact CB-CB 4.49Å; P218-L221 HydrophobicContact CB-CD1 4.17Å; P218-L221 HydrophobicContact CB-CG 4.16Å; P218-L221 HydrophobicContact CG-CD1 3.93Å; P218-L221 HydrophobicContact CG-CG 4.47Å; P218-L221 PolarHBondContact O-N 3.2Å; L221-I223 PolarHBondContact O-N 3.38Å
222	H	84.3	Confident	91.7	Very high	26 Å²	26	48.8 Å²	48.8	12%	0.12	29%	0.286	C	S	.	.			trans	-65.9	130.7	173	-76.2	-70.9	0	0	0	111.2	V217 R228	V217-H222 PolarHBondContact O-NE2 3.49Å; H222-R228 HydrophobicContact CB-CB 3.84Å
223	I	74.5	Confident	91.9	Very high	53 Å²	53	44 Å²	44	27%	0.272	25%	0.247	S	C	.	.	S	Bend	trans	-75.8	-39.6	-176.9	-61.2	159.4	0	0	0	111	L221 R390	L221-I223 PolarHBondContact O-N 3.38Å; I223-R390 HydrophobicContact CD1-CB 4.3Å; I223-R390 VanDerWaalsContact CD1-CD 3.42Å
224	D	83.9	Confident	92.1	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	-122.8	152.6	-177.9	69.6	87.8	0	0	0	111.7	Y226 S227 R228 S387	D224-Y226 VanDerWaalsContact C-N 3.26Å; D224-Y226 PolarHBondContact O-N 3.1Å; D224-Y226 WeakPolarHBondContact OD1-CA 3.14Å; D224-Y226 VanDerWaalsContact OD1-CB 3.25Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.22Å; D224-Y226 PolarHBondContact OD1-N 3.28Å; D224-Y226 VanDerWaalsContact OD1-N 3.13Å; D224-S227 VanDerWaalsContact CG-OG 3.22Å; D224-S227 PolarHBondContact O-N 3.44Å; D224-S227 PolarHBondContact OD1-N 3.23Å; D224-S227 PolarHBondContact OD1-OG 2.69Å; D224-S227 PolarHBondContact OD2-OG 2.73Å; D224-R228 PolarHBondContact O-N 2.99Å; D224-S387 PolarHBondContact OD2-OG 3.21Å
225	H	89.3	Confident	92.2	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-28.1	-177.6	-73.8	-82.4	0	0	0	112.5	K165 V168 T229	K165-H225 VanDerWaalsContact CD-NE2 3.33Å; K165-H225 WeakPolarHBondContact CD-NE2 3.2Å; K165-H225 WeakPolarHBondContact CE-NE2 3.24Å; V168-H225 HydrophobicContact CG1-CB 4.2Å; H225-T229 WeakPolarHBondContact O-CB 3.43Å; H225-T229 VanDerWaalsContact O-CG2 3.22Å; H225-T229 WeakPolarHBondContact O-CG2 3.17Å; H225-T229 PolarHBondContact O-N 2.98Å; H225-T229 PolarHBondContact O-OG1 3.35Å
226	Y	92.3	Very high	92.4	Very high	11 Å²	11	41.5 Å²	41.5	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-51	178	162.9	-93	0	0	0	110.6	Y155 G156 M157 T196 D224 R228 T229 K230	Y155-Y226 WeakPolarHBondContact O-CD2 3.45Å; G156-Y226 WeakPolarHBondContact O-CB 3.46Å; M157-Y226 HydrophobicContact CB-CD2 4.18Å; M157-Y226 HydrophobicContact CB-CE1 4.29Å; M157-Y226 HydrophobicContact CB-CE2 3.9Å; M157-Y226 HydrophobicContact CB-CG 4.48Å; M157-Y226 HydrophobicContact CG-CD1 4.48Å; M157-Y226 HydrophobicContact CG-CE1 3.94Å; M157-Y226 HydrophobicContact CG-CE2 4.32Å; T196-Y226 HydrophobicContact CG2-CE1 4.06Å; D224-Y226 VanDerWaalsContact C-N 3.26Å; D224-Y226 PolarHBondContact O-N 3.1Å; D224-Y226 WeakPolarHBondContact OD1-CA 3.14Å; D224-Y226 VanDerWaalsContact OD1-CB 3.25Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.22Å; D224-Y226 PolarHBondContact OD1-N 3.28Å; D224-Y226 VanDerWaalsContact OD1-N 3.13Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.24Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.5Å; Y226-T229 PolarHBondContact O-N 3.09Å; Y226-T229 PolarHBondContact O-OG1 2.96Å; Y226-K230 HydrophobicContact CD1-CG 4.36Å; Y226-K230 HydrophobicContact CD2-CD 4.37Å; Y226-K230 HydrophobicContact CD2-CG 3.88Å; Y226-K230 HydrophobicContact CE1-CG 4.05Å; Y226-K230 HydrophobicContact CE2-CD 3.77Å; Y226-K230 HydrophobicContact CE2-CG 3.55Å; Y226-K230 HydrophobicContact CG-CG 4.28Å; Y226-K230 WeakPolarHBondContact O-CB 3.39Å; Y226-K230 VanDerWaalsContact O-CG 3.26Å; Y226-K230 WeakPolarHBondContact O-CG 3.33Å; Y226-K230 PolarHBondContact O-N 3.42Å
227	S	93.3	Very high	92.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-44.2	179.2	-58.8	0	0	0	0	112	N198 D224 A231	N198-S227 VanDerWaalsContact CB-OG 3.25Å; N198-S227 WeakPolarHBondContact CB-OG 3.49Å; D224-S227 VanDerWaalsContact CG-OG 3.22Å; D224-S227 PolarHBondContact O-N 3.44Å; D224-S227 PolarHBondContact OD1-N 3.23Å; D224-S227 PolarHBondContact OD1-OG 2.69Å; D224-S227 PolarHBondContact OD2-OG 2.73Å; S227-A231 PolarHBondContact O-N 2.99Å; S227-A231 VanDerWaalsContact O-N 3.08Å
228	R	95.1	Very high	92.8	Very high	66 Å²	66	39.4 Å²	39.4	25%	0.249	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-50.2	175.3	-173.5	179.7	66.6	86.2	5	112.2	E169 H222 D224 Y226 K230 A231 V232	E169-R228 IonicContact OE1-NH1 2.77Å; E169-R228 IonicContact OE2-CZ 2.98Å; E169-R228 IonicContact OE2-NH1 3.37Å; E169-R228 IonicContact OE2-NH2 3.88Å; E169-R228 PolarHBondContact OE2-NH2 3.32Å; H222-R228 HydrophobicContact CB-CB 3.84Å; D224-R228 PolarHBondContact O-N 2.99Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.24Å; R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 2.67Å; R228-A231 WeakPolarHBondContact O-CB 3.44Å; R228-A231 PolarHBondContact O-N 2.92Å; R228-V232 WeakPolarHBondContact O-CG2 3.41Å; R228-V232 PolarHBondContact O-N 3.43Å; R228-V232 VanDerWaalsContact O-N 3.08Å
229	T	97.2	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-34.3	-177.5	53.2	0	0	0	0	112.4	V168 E169 N172 V173 H225 Y226 V232 A233	V168-T229 HydrophobicContact CG1-CG2 4.14Å; V168-T229 WeakPolarHBondContact CG1-OG1 3.5Å; E169-T229 HydrophobicContact CB-CG2 4.29Å; E169-T229 HydrophobicContact CG-CG2 4.48Å; E169-T229 WeakPolarHBondContact OE2-CG2 3.25Å; N172-T229 PolarHBondContact ND2-OG1 3.41Å; V173-T229 HydrophobicContact CG2-CG2 4.02Å; H225-T229 WeakPolarHBondContact O-CB 3.43Å; H225-T229 VanDerWaalsContact O-CG2 3.22Å; H225-T229 WeakPolarHBondContact O-CG2 3.17Å; H225-T229 PolarHBondContact O-N 2.98Å; H225-T229 PolarHBondContact O-OG1 3.35Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.5Å; Y226-T229 PolarHBondContact O-N 3.09Å; Y226-T229 PolarHBondContact O-OG1 2.96Å; T229-V232 PolarHBondContact O-N 3.17Å; T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.29Å; T229-A233 PolarHBondContact O-N 2.96Å
230	K	97.9	Very high	93.7	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-37.5	172.3	-68.7	-63.4	-68.2	174.9	0	112	Y193 T194 T196 V199 Y226 R228 E234	Y193-K230 WeakPolarHBondContact OH-CE 3.38Å; Y193-K230 PolarHBondContact OH-NZ 3.08Å; T194-K230 WeakPolarHBondContact O-CE 3.48Å; T194-K230 PolarHBondContact O-NZ 3.26Å; T196-K230 HydrophobicContact CG2-CB 4.16Å; T196-K230 HydrophobicContact CG2-CG 4.37Å; V199-K230 HydrophobicContact CG1-CB 3.97Å; Y226-K230 HydrophobicContact CD1-CG 4.36Å; Y226-K230 HydrophobicContact CD2-CD 4.37Å; Y226-K230 HydrophobicContact CD2-CG 3.88Å; Y226-K230 HydrophobicContact CE1-CG 4.05Å; Y226-K230 HydrophobicContact CE2-CD 3.77Å; Y226-K230 HydrophobicContact CE2-CG 3.55Å; Y226-K230 HydrophobicContact CG-CG 4.28Å; Y226-K230 WeakPolarHBondContact O-CB 3.39Å; Y226-K230 VanDerWaalsContact O-CG 3.26Å; Y226-K230 WeakPolarHBondContact O-CG 3.33Å; Y226-K230 PolarHBondContact O-N 3.42Å; R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 2.67Å; K230-E234 VanDerWaalsContact O-CB 3.29Å; K230-E234 WeakPolarHBondContact O-CB 3.3Å; K230-E234 PolarHBondContact O-N 3.28Å
231	A	97.9	Very high	94.2	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-43.1	174.4	0	0	0	0	0	112	V199 Y216 S227 R228 E234 Q235	V199-A231 HydrophobicContact CB-CB 3.9Å; V199-A231 HydrophobicContact CG1-CB 4.03Å; Y216-A231 HydrophobicContact CD1-CB 4.19Å; Y216-A231 HydrophobicContact CE1-CB 4.46Å; S227-A231 PolarHBondContact O-N 2.99Å; S227-A231 VanDerWaalsContact O-N 3.08Å; R228-A231 WeakPolarHBondContact O-CB 3.44Å; R228-A231 PolarHBondContact O-N 2.92Å; A231-E234 PolarHBondContact O-N 3.3Å; A231-Q235 WeakPolarHBondContact O-CG 3.38Å; A231-Q235 PolarHBondContact O-N 2.93Å; A231-Q235 VanDerWaalsContact O-N 3.12Å
232	V	98.2	Very high	94.8	Very high	52 Å²	52	30.6 Å²	30.6	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-61.4	-50.4	174.7	173.6	0	0	0	0	110.9	V173 R228 T229 E234 Q235 M236	V173-V232 HydrophobicContact CG1-CG1 4.07Å; V173-V232 HydrophobicContact CG2-CB 4.26Å; V173-V232 HydrophobicContact CG2-CG1 4.07Å; R228-V232 WeakPolarHBondContact O-CG2 3.41Å; R228-V232 PolarHBondContact O-N 3.43Å; R228-V232 VanDerWaalsContact O-N 3.08Å; T229-V232 PolarHBondContact O-N 3.17Å; V232-E234 VanDerWaalsContact C-N 3.32Å; V232-E234 PolarHBondContact O-N 2.86Å; V232-Q235 PolarHBondContact O-N 3.21Å; V232-M236 HydrophobicContact CG1-SD 3.95Å; V232-M236 WeakPolarHBondContact O-CG 3.39Å; V232-M236 PolarHBondContact O-N 3.05Å
233	A	98.6	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-36.4	179.6	0	0	0	0	0	112.8	N172 T176 Y193 T229 M236 V237	N172-A233 VanDerWaalsContact O-CB 3.24Å; N172-A233 WeakPolarHBondContact O-CB 3.3Å; T176-A233 HydrophobicContact CG2-CB 4.06Å; Y193-A233 WeakPolarHBondContact OH-CB 3.48Å; T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.29Å; T229-A233 PolarHBondContact O-N 2.96Å; A233-M236 WeakPolarHBondContact O-CB 3.35Å; A233-M236 PolarHBondContact O-N 3.1Å; A233-V237 WeakPolarHBondContact O-CG2 3.35Å; A233-V237 PolarHBondContact O-N 3.46Å
234	E	98.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-48.1	172.9	-172.9	173.9	116.3	0	0	111.7	Y193 S195 Y216 K230 A231 V232 M236 V237 L238 V255 R257	Y193-E234 HydrophobicContact CE1-CB 3.97Å; S195-E234 WeakPolarHBondContact CB-OE2 3.43Å; S195-E234 PolarHBondContact OG-OE2 2.77Å; Y216-E234 HydrophobicContact CE1-CB 4.49Å; Y216-E234 HydrophobicContact CE1-CG 4.42Å; Y216-E234 VanDerWaalsContact CE1-OE1 3.23Å; Y216-E234 WeakPolarHBondContact CE1-OE1 3.17Å; Y216-E234 VanDerWaalsContact CZ-OE1 3.26Å; Y216-E234 WeakPolarHBondContact OH-CG 3.39Å; Y216-E234 PolarHBondContact OH-OE1 3.43Å; K230-E234 VanDerWaalsContact O-CB 3.29Å; K230-E234 WeakPolarHBondContact O-CB 3.3Å; K230-E234 PolarHBondContact O-N 3.28Å; A231-E234 PolarHBondContact O-N 3.3Å; V232-E234 VanDerWaalsContact C-N 3.32Å; V232-E234 PolarHBondContact O-N 2.86Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 2.57Å; E234-V237 PolarHBondContact O-N 2.88Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 WeakPolarHBondContact O-CG 3.37Å; E234-L238 PolarHBondContact O-N 2.82Å; E234-V255 HydrophobicContact CG-CB 4.4Å; E234-V255 HydrophobicContact CG-CG1 3.57Å; E234-V255 HydrophobicContact CG-CG2 4.07Å; E234-V255 WeakPolarHBondContact OE2-CG1 3.14Å; E234-R257 IonicContact OE1-CZ 3.16Å; E234-R257 IonicContact OE1-NE 2.93Å; E234-R257 PolarHBondContact OE1-NE 3.31Å; E234-R257 IonicContact OE1-NH2 2.62Å; E234-R257 PolarHBondContact OE1-NH2 2.74Å; E234-R257 IonicContact OE2-NE 2.74Å; E234-R257 PolarHBondContact OE2-NE 3.45Å
235	Q	98.6	Very high	97.2	Very high	91 Å²	91	32.8 Å²	32.8	43%	0.425	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-37.4	177.1	-68.7	172.7	44.3	0	0	111.8	Y216 A231 V232 S239	Y216-Q235 HydrophobicContact CE1-CG 4.28Å; Y216-Q235 HydrophobicContact CE2-CG 3.97Å; A231-Q235 WeakPolarHBondContact O-CG 3.38Å; A231-Q235 PolarHBondContact O-N 2.93Å; A231-Q235 VanDerWaalsContact O-N 3.12Å; V232-Q235 PolarHBondContact O-N 3.21Å; Q235-S239 VanDerWaalsContact O-CB 3.25Å; Q235-S239 WeakPolarHBondContact O-CB 3.02Å; Q235-S239 PolarHBondContact O-N 3.05Å; Q235-S239 PolarHBondContact O-OG 2.6Å
236	M	98.8	Very high	97.5	Very high	45 Å²	45	37.4 Å²	37.4	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-44.2	175.1	-68.4	164.1	62.4	0	0	112.1	V173 N177 I180 V232 A233 E234 S239 A240	V173-M236 HydrophobicContact CG1-CE 4.33Å; V173-M236 HydrophobicContact CG1-SD 3.77Å; N177-M236 HydrophobicContact CB-CE 3.59Å; I180-M236 HydrophobicContact CD1-CB 3.88Å; V232-M236 HydrophobicContact CG1-SD 3.95Å; V232-M236 WeakPolarHBondContact O-CG 3.39Å; V232-M236 PolarHBondContact O-N 3.05Å; A233-M236 WeakPolarHBondContact O-CB 3.35Å; A233-M236 PolarHBondContact O-N 3.1Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 2.57Å; M236-S239 PolarHBondContact O-N 3.4Å; M236-A240 WeakPolarHBondContact O-CB 3.34Å; M236-A240 PolarHBondContact O-N 3.33Å
237	V	98.9	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-49.4	177.6	170.4	0	0	0	0	110.4	T176 I180 L191 Y193 A233 E234 S239 A240 N241 T253 V255	T176-V237 HydrophobicContact CG2-CG2 3.66Å; I180-V237 HydrophobicContact CD1-CG2 4.03Å; I180-V237 HydrophobicContact CG1-CG2 4.37Å; L191-V237 HydrophobicContact CD2-CG1 4.18Å; L191-V237 HydrophobicContact CD2-CG2 4.3Å; Y193-V237 HydrophobicContact CD1-CG2 4.2Å; Y193-V237 HydrophobicContact CD2-CG2 4.28Å; Y193-V237 HydrophobicContact CG-CG2 3.95Å; A233-V237 WeakPolarHBondContact O-CG2 3.35Å; A233-V237 PolarHBondContact O-N 3.46Å; E234-V237 PolarHBondContact O-N 2.88Å; V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 3.17Å; V237-A240 WeakPolarHBondContact O-CB 3.3Å; V237-A240 PolarHBondContact O-N 3.09Å; V237-A240 VanDerWaalsContact O-N 3.07Å; V237-N241 PolarHBondContact O-N 3.26Å; V237-T253 HydrophobicContact CG1-CG2 4.1Å; V237-T253 WeakPolarHBondContact O-CG2 3.29Å; V237-T253 PolarHBondContact O-OG1 2.9Å; V237-V255 HydrophobicContact CG1-CG2 4.03Å
238	L	98.7	Very high	97.3	Very high	41 Å²	41	43.6 Å²	43.6	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-40.1	177.8	-67.5	170.3	0	0	0	112.1	Y216 E234 A240 N241 V255 V324	Y216-L238 WeakPolarHBondContact OH-CD1 3.41Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 WeakPolarHBondContact O-CG 3.37Å; E234-L238 PolarHBondContact O-N 2.82Å; L238-A240 PolarHBondContact O-N 3Å; L238-N241 WeakPolarHBondContact O-CB 3.5Å; L238-N241 PolarHBondContact O-N 3.04Å; L238-V255 HydrophobicContact CD2-CB 4.46Å; L238-V255 HydrophobicContact CD2-CG2 3.75Å; L238-V255 HydrophobicContact CG-CG2 3.94Å; L238-V324 HydrophobicContact CD1-CG2 3.64Å; L238-V324 HydrophobicContact CD2-CG2 3.76Å; L238-V324 HydrophobicContact CG-CG2 4.27Å
239	S	98.7	Very high	97.2	Very high	97 Å²	97	43.2 Å²	43.2	68%	0.678	29%	0.293	S	S	*	.	H	α-helix	trans	-68.4	-24.3	177	-56.9	0	0	0	0	112.8	Q235 M236 V237 N241	Q235-S239 VanDerWaalsContact O-CB 3.25Å; Q235-S239 WeakPolarHBondContact O-CB 3.02Å; Q235-S239 PolarHBondContact O-N 3.05Å; Q235-S239 PolarHBondContact O-OG 2.6Å; M236-S239 PolarHBondContact O-N 3.4Å; V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 3.17Å; S239-N241 VanDerWaalsContact C-N 3.3Å
240	A	98.7	Very high	97.2	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-78	-16	176.2	0	0	0	0	0	112.8	I180 M236 V237 L238 G242 S243 L251	I180-A240 HydrophobicContact CD1-CB 4.33Å; I180-A240 HydrophobicContact CG1-CB 4.34Å; I180-A240 HydrophobicContact CG2-CB 3.54Å; M236-A240 WeakPolarHBondContact O-CB 3.34Å; M236-A240 PolarHBondContact O-N 3.33Å; V237-A240 WeakPolarHBondContact O-CB 3.3Å; V237-A240 PolarHBondContact O-N 3.09Å; V237-A240 VanDerWaalsContact O-N 3.07Å; L238-A240 PolarHBondContact O-N 3Å; A240-G242 PolarHBondContact O-N 2.94Å; A240-S243 WeakPolarHBondContact O-CB 3.12Å; A240-S243 PolarHBondContact O-N 3.25Å; A240-S243 VanDerWaalsContact O-N 3.12Å; A240-S243 PolarHBondContact O-OG 2.98Å; A240-L251 HydrophobicContact CB-CD2 4.06Å
241	N	98.7	Very high	97.2	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.241	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.6	178.2	-164.1	69.2	0	0	0	112	V237 L238 S239 S243 L251 T253 S321 G322	V237-N241 PolarHBondContact O-N 3.26Å; L238-N241 WeakPolarHBondContact O-CB 3.5Å; L238-N241 PolarHBondContact O-N 3.04Å; S239-N241 VanDerWaalsContact C-N 3.3Å; N241-S243 PolarHBondContact O-N 3.14Å; N241-L251 CarbonylContact C-O 3.59Å; N241-L251 WeakPolarHBondContact CA-O 3.27Å; N241-T253 HydrophobicContact CB-CG2 4.35Å; N241-T253 WeakPolarHBondContact CB-OG1 3.31Å; N241-T253 PolarHBondContact OD1-N 3.39Å; N241-T253 PolarHBondContact OD1-OG1 2.89Å; N241-S321 PolarHBondContact ND2-OG 2.89Å; N241-S321 PolarHBondContact OD1-OG 3.3Å; N241-S321 VanDerWaalsContact OD1-OG 3.12Å; N241-G322 VanDerWaalsContact CG-CA 3.44Å; N241-G322 VanDerWaalsContact CG-N 3.3Å; N241-G322 PolarHBondContact ND2-N 3.45Å; N241-G322 PolarHBondContact OD1-N 2.95Å
242	G	98.1	Very high	97.3	Very high	32 Å²	32	50.8 Å²	50.8	33%	0.33	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	-3.5	-178.8	0	0	0	0	0	115	A240 L251	A240-G242 PolarHBondContact O-N 2.94Å; G242-L251 PolarHBondContact N-O 3.13Å
243	S	98.3	Very high	97.3	Very high	24 Å²	24	48.3 Å²	48.3	17%	0.168	31%	0.311	C	S	.	.			trans	-61	144	175.5	-66	0	0	0	0	111.1	K184 A240 N241 K250 L251	K184-S243 WeakPolarHBondContact CE-OG 3.34Å; K184-S243 PolarHBondContact NZ-OG 3.2Å; A240-S243 WeakPolarHBondContact O-CB 3.12Å; A240-S243 PolarHBondContact O-N 3.25Å; A240-S243 VanDerWaalsContact O-N 3.12Å; A240-S243 PolarHBondContact O-OG 2.98Å; N241-S243 PolarHBondContact O-N 3.14Å; S243-K250 CarbonylContact O-C 3.55Å; S243-K250 VanDerWaalsContact O-CA 3.28Å; S243-K250 WeakPolarHBondContact O-CA 3.49Å; S243-L251 PolarHBondContact O-N 2.98Å
244	P	97.9	Very high	97.3	Very high	106 Å²	106	48.3 Å²	48.3	69%	0.688	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-64.7	144.1	174.9	28.2	-34.3	0	0	0	111.1
245	V	97.6	Very high	97.3	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	31%	0.311	C	S	.	.			trans	-117.2	150.9	174.6	-56.4	0	0	0	0	110.5	G248 G249 L251	V245-G248 WeakPolarHBondContact CG2-O 2.77Å; V245-G248 PolarHBondContact O-N 3.36Å; V245-G248 VanDerWaalsContact O-N 3.09Å; V245-G249 PolarHBondContact N-O 3.12Å; V245-L251 HydrophobicContact CG1-CB 3.72Å
246	K	95.9	Very high	97.3	Very high	150 Å²	150	44 Å²	44	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	139.7	177.3	-171.5	-177.8	-177.2	178.5	0	110	K184 E185 G187 G248	K184-K246 WeakPolarHBondContact O-CB 3.44Å; K184-K246 PolarHBondContact O-N 2.93Å; E185-K246 WeakPolarHBondContact O-CB 3.41Å; E185-K246 WeakPolarHBondContact O-CD 3.45Å; G187-K246 WeakPolarHBondContact CA-O 3.32Å; K246-G248 VanDerWaalsContact C-N 3.25Å
247	G	90.3	Very high	97.3	Very high	89 Å²	89	42.3 Å²	42.3	92%	0.918	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.4	-174.6	0	0	0	0	0	114.1
248	G	90.5	Very high	97.3	Very high	54 Å²	54	42.6 Å²	42.6	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	98.2	160.6	174	0	0	0	0	0	113.6	V245 K246	V245-G248 WeakPolarHBondContact CG2-O 2.77Å; V245-G248 PolarHBondContact O-N 3.36Å; V245-G248 VanDerWaalsContact O-N 3.09Å; K246-G248 VanDerWaalsContact C-N 3.25Å
249	G	93.4	Very high	97	Very high	58 Å²	58	41 Å²	41	60%	0.598	28%	0.276	S	S	*	.	S	Bend	trans	94	-163.1	-174.7	0	0	0	0	0	113.1	V245	V245-G249 PolarHBondContact N-O 3.12Å
250	K	97.1	Very high	96.7	Very high	128 Å²	128	37.9 Å²	37.9	56%	0.557	26%	0.259	S	S	*	.	B	Isolated β-bridge	trans	-134.2	152.7	-176.1	-61.4	-179.2	-177	-179.4	0	110.1	S243 E252	S243-K250 CarbonylContact O-C 3.55Å; S243-K250 VanDerWaalsContact O-CA 3.28Å; S243-K250 WeakPolarHBondContact O-CA 3.49Å; K250-E252 PolarHBondContact O-N 2.77Å
251	L	98.6	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	27%	0.269	C	S	.	.			trans	-78.9	112.9	171.7	178.3	58.1	0	0	0	109.1	C183 K184 I188 L191 A240 N241 G242 S243 V245 T253	C183-L251 HydrophobicContact CB-CD1 3.87Å; C183-L251 HydrophobicContact CB-CD2 4.19Å; K184-L251 HydrophobicContact CG-CD2 4.42Å; I188-L251 WeakPolarHBondContact O-CD1 3.41Å; L191-L251 HydrophobicContact CB-CD1 4.13Å; A240-L251 HydrophobicContact CB-CD2 4.06Å; N241-L251 CarbonylContact C-O 3.59Å; N241-L251 WeakPolarHBondContact CA-O 3.27Å; G242-L251 PolarHBondContact N-O 3.13Å; S243-L251 PolarHBondContact O-N 2.98Å; V245-L251 HydrophobicContact CG1-CB 3.72Å; L251-T253 HydrophobicContact CD1-CG2 4.45Å; L251-T253 HydrophobicContact CD2-CG2 4.16Å; L251-T253 HydrophobicContact CG-CG2 3.84Å
252	E	98.5	Very high	96.3	Very high	38 Å²	38	38.2 Å²	38.2	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.1	173	-49.1	-65.6	179.8	0	0	108.7	P189 R190 L191 K250 L312 S321	P189-E252 PolarHBondContact O-N 3.19Å; R190-E252 WeakPolarHBondContact CA-O 3.4Å; L191-E252 PolarHBondContact N-O 3.32Å; K250-E252 PolarHBondContact O-N 2.77Å; E252-L312 HydrophobicContact CB-CD2 3.83Å; E252-S321 WeakPolarHBondContact OE2-CB 3.36Å; E252-S321 PolarHBondContact OE2-OG 3.47Å
253	T	98.8	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.7	-178	71.4	0	0	0	0	111.3	L191 V237 N241 L251 A320 G322	L191-T253 HydrophobicContact CB-CG2 4.27Å; L191-T253 HydrophobicContact CD2-CG2 4.43Å; L191-T253 CarbonylContact O-C 3.41Å; L191-T253 VanDerWaalsContact O-CA 3.27Å; L191-T253 WeakPolarHBondContact O-CA 3.35Å; V237-T253 HydrophobicContact CG1-CG2 4.1Å; V237-T253 WeakPolarHBondContact O-CG2 3.29Å; V237-T253 PolarHBondContact O-OG1 2.9Å; N241-T253 HydrophobicContact CB-CG2 4.35Å; N241-T253 WeakPolarHBondContact CB-OG1 3.31Å; N241-T253 PolarHBondContact OD1-N 3.39Å; N241-T253 PolarHBondContact OD1-OG1 2.89Å; L251-T253 HydrophobicContact CD1-CG2 4.45Å; L251-T253 HydrophobicContact CD2-CG2 4.16Å; L251-T253 HydrophobicContact CG-CG2 3.84Å; T253-A320 VanDerWaalsContact O-O 3.14Å; T253-G322 PolarHBondContact O-N 2.85Å
254	C	98.9	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.4	170.8	174.5	0	0	0	0	109.7	L191 V192 Y193 A308 L312 A320	L191-C254 PolarHBondContact O-N 2.81Å; V192-C254 CarbonylContact C-O 3.42Å; V192-C254 WeakPolarHBondContact CA-O 3.27Å; Y193-C254 PolarHBondContact N-O 3.05Å; C254-A308 HydrophobicContact CB-CB 4.49Å; C254-L312 HydrophobicContact CB-CD1 3.84Å; C254-L312 HydrophobicContact CB-CD2 3.96Å; C254-L312 HydrophobicContact CB-CG 4.02Å; C254-A320 HydrophobicContact CB-CB 4.17Å
255	V	98.9	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	179.5	172.6	0	0	0	0	110.1	Y193 E234 V237 L238 Q323 V324 Y325	Y193-V255 HydrophobicContact CD1-CG1 4.27Å; Y193-V255 HydrophobicContact CD1-CG2 4.17Å; E234-V255 HydrophobicContact CG-CB 4.4Å; E234-V255 HydrophobicContact CG-CG1 3.57Å; E234-V255 HydrophobicContact CG-CG2 4.07Å; E234-V255 WeakPolarHBondContact OE2-CG1 3.14Å; V237-V255 HydrophobicContact CG1-CG2 4.03Å; L238-V255 HydrophobicContact CD2-CB 4.46Å; L238-V255 HydrophobicContact CD2-CG2 3.75Å; L238-V255 HydrophobicContact CG-CG2 3.94Å; V255-Q323 PolarHBondContact N-O 2.85Å; V255-V324 HydrophobicContact CB-CB 4.44Å; V255-V324 HydrophobicContact CB-CG1 4.33Å; V255-V324 HydrophobicContact CB-CG2 4.07Å; V255-V324 HydrophobicContact CG1-CG1 4Å; V255-V324 HydrophobicContact CG1-CG2 4.34Å; V255-V324 CarbonylContact O-C 3.57Å; V255-V324 WeakPolarHBondContact O-CA 3.41Å; V255-Y325 PolarHBondContact O-N 2.62Å
256	L	98.9	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127	174.2	-58.1	-178	0	0	0	110.2	V192 Y193 S195 P258 A304 H305 A308 Y325 I327 L407	V192-L256 HydrophobicContact CG1-CD1 4.19Å; V192-L256 HydrophobicContact CG1-CG 4.47Å; Y193-L256 PolarHBondContact O-N 3.24Å; S195-L256 CarbonylContact C-O 3.55Å; S195-L256 WeakPolarHBondContact CA-O 3.38Å; S195-L256 WeakPolarHBondContact CB-O 3.39Å; S195-L256 PolarHBondContact N-O 2.49Å; L256-P258 WeakPolarHBondContact O-CD 3.02Å; L256-A304 HydrophobicContact CD1-CB 4.29Å; L256-H305 HydrophobicContact CD1-CB 4.28Å; L256-H305 WeakPolarHBondContact CD1-ND1 3.35Å; L256-A308 HydrophobicContact CD1-CB 3.96Å; L256-A308 HydrophobicContact CD2-CB 4.16Å; L256-A308 HydrophobicContact CG-CB 4.35Å; L256-Y325 HydrophobicContact CD2-CD2 3.9Å; L256-Y325 HydrophobicContact CD2-CG 4.32Å; L256-I327 HydrophobicContact CB-CG1 4.11Å; L256-I327 HydrophobicContact CD2-CD1 4.1Å; L256-I327 HydrophobicContact CD2-CG1 3.99Å; L256-I327 HydrophobicContact CG-CG1 4.45Å; L256-L407 HydrophobicContact CD2-CD1 4.31Å
257	R	98.6	Very high	93.9	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.038	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	82.3	176.3	-68.7	178.4	179.5	165.1	-4	110.1	V199 V200 E234 V324 Y325 F326 I327	V199-R257 HydrophobicContact CG2-CG 4.39Å; V200-R257 VanDerWaalsContact CG1-NH1 3.32Å; E234-R257 IonicContact OE1-CZ 3.16Å; E234-R257 IonicContact OE1-NE 2.93Å; E234-R257 PolarHBondContact OE1-NE 3.31Å; E234-R257 IonicContact OE1-NH2 2.62Å; E234-R257 PolarHBondContact OE1-NH2 2.74Å; E234-R257 IonicContact OE2-NE 2.74Å; E234-R257 PolarHBondContact OE2-NE 3.45Å; R257-V324 HydrophobicContact CG-CG1 3.9Å; R257-Y325 PolarHBondContact N-O 2.66Å; R257-F326 HydrophobicContact CB-CD1 3.8Å; R257-F326 HydrophobicContact CB-CE1 4.08Å; R257-I327 PolarHBondContact O-N 3.17Å; R257-I327 VanDerWaalsContact O-N 3.14Å
258	P	97.8	Very high	93.2	Very high	5 Å²	5	33 Å²	33	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	151.4	172.8	28.7	-35.3	0	0	0	112.4	T194 S195 I197 L256 V296 L301 I327	T194-P258 HydrophobicContact CG2-CG 4.07Å; S195-P258 WeakPolarHBondContact O-CD 3.39Å; I197-P258 PolarHBondContact N-O 3.03Å; I197-P258 VanDerWaalsContact N-O 3.1Å; L256-P258 WeakPolarHBondContact O-CD 3.02Å; P258-V296 HydrophobicContact CB-CG1 4.08Å; P258-L301 HydrophobicContact CB-CD1 3.73Å; P258-L301 HydrophobicContact CB-CD2 4.08Å; P258-L301 HydrophobicContact CG-CD1 4.25Å; P258-L301 HydrophobicContact CG-CD2 4.36Å; P258-I327 WeakPolarHBondContact CA-O 3.39Å
259	C	93.8	Very high	92.5	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.047	18%	0.176	C	C	.	.			trans	-84.7	-164.9	163.3	56.7	0	0	0	0	111.1	I197 I261 N294 W295 V296 I327 N328	I197-C259 HydrophobicContact CD1-CB 3.9Å; I197-C259 HydrophobicContact CG1-CB 4.49Å; I197-C259 HydrophobicContact CG2-CB 4.34Å; C259-I261 PolarHBondContact O-N 2.8Å; C259-N294 HydrophobicContact CB-CB 4.24Å; C259-N294 WeakPolarHBondContact CB-O 3.12Å; C259-N294 VanDerWaalsContact SG-C 3.52Å; C259-N294 PolarHBondContact SG-O 3.21Å; C259-W295 WeakPolarHBondContact SG-CA 3.35Å; C259-V296 PolarHBondContact SG-N 2.95Å; C259-V296 VanDerWaalsContact SG-N 3.39Å; C259-I327 PolarHBondContact N-O 3.36Å; C259-N328 WeakPolarHBondContact SG-CB 3.18Å
260	G	91.7	Very high	91.8	Very high	32 Å²	32	31 Å²	31	33%	0.33	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	120	179.3	0	0	0	0	0	111.9	V296	G260-V296 PolarHBondContact O-N 3.41Å
261	I	94.4	Very high	90.9	Very high	49 Å²	49	27.5 Å²	27.5	25%	0.251	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.5	-177.8	-49.1	170.8	0	0	0	108.9	Y94 C259 V296 I298 L301	Y94-I261 HydrophobicContact CE1-CG2 4.14Å; C259-I261 PolarHBondContact O-N 2.8Å; I261-V296 WeakPolarHBondContact CA-O 3.42Å; I261-V296 HydrophobicContact CB-CG1 4.33Å; I261-V296 HydrophobicContact CG1-CG1 3.9Å; I261-I298 HydrophobicContact CG2-CB 4.15Å; I261-I298 HydrophobicContact CG2-CG1 4.49Å; I261-L301 HydrophobicContact CD1-CD2 3.42Å; I261-L301 VanDerWaalsContact CD1-CD2 3.42Å; I261-L301 HydrophobicContact CG1-CD2 3.8Å; I261-L301 HydrophobicContact CG2-CD2 4.35Å
262	Y	94.6	Very high	89.9	Confident	9 Å²	9	30 Å²	30	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	169.5	171.6	75.3	-79.6	0	0	0	111.1	W295 V296 H297 I298 D329 W338 L416	Y262-W295 HydrophobicContact CD1-CB 3.82Å; Y262-W295 HydrophobicContact CE1-CB 3.76Å; Y262-V296 VanDerWaalsContact CD1-C 3.47Å; Y262-V296 VanDerWaalsContact CD1-O 3.23Å; Y262-V296 WeakPolarHBondContact CD1-O 3.46Å; Y262-V296 PolarHBondContact N-O 3.46Å; Y262-H297 AromaticContact CD2-CD2 3.83Å; Y262-H297 HydrophobicContact CE1-CB 3.95Å; Y262-H297 HydrophobicContact CE2-CB 4.16Å; Y262-H297 AromaticContact CE2-CD2 3.56Å; Y262-H297 CarbonylContact O-C 3.5Å; Y262-I298 PolarHBondContact O-N 3.34Å; Y262-D329 WeakPolarHBondContact CE1-OD2 3.34Å; Y262-D329 VanDerWaalsContact CZ-OD2 3.28Å; Y262-D329 PolarHBondContact OH-OD2 3.43Å; Y262-W338 AromaticContact CD1-CZ2 3.89Å; Y262-W338 HydrophobicContact CD1-CZ2 3.89Å; Y262-W338 HydrophobicContact CD2-CZ2 4.13Å; Y262-W338 HydrophobicContact CG-CH2 4.47Å; Y262-W338 AromaticContact CG-CZ2 3.67Å; Y262-W338 HydrophobicContact CG-CZ2 3.67Å; Y262-L416 HydrophobicContact CD2-CD1 4.12Å
263	G	94.3	Very high	89	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	140.6	171.2	178.2	0	0	0	0	0	112.6	Y94 G265 E266 H297 S419	Y94-G263 WeakPolarHBondContact OH-CA 3.37Å; Y94-G263 PolarHBondContact OH-O 3.48Å; Y94-G263 VanDerWaalsContact OH-O 3.04Å; G263-G265 PolarHBondContact O-N 3.45Å; G263-E266 PolarHBondContact O-N 2.72Å; G263-H297 WeakPolarHBondContact CA-NE2 3.21Å; G263-S419 WeakPolarHBondContact CA-OG 3.25Å; G263-S419 PolarHBondContact N-OG 3.37Å; G263-S419 PolarHBondContact O-OG 2.78Å
264	P	92.3	Very high	88.2	Confident	49 Å²	49	29.7 Å²	29.7	32%	0.318	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	122.5	176.8	-27.7	36.7	0	0	0	112.9	Y94 H297 D418 H422	Y94-P264 WeakPolarHBondContact CE2-O 3.26Å; P264-H297 WeakPolarHBondContact CD-NE2 3.42Å; P264-D418 HydrophobicContact CG-CB 4.09Å; P264-H422 HydrophobicContact CB-CB 3.85Å
265	G	86.6	Confident	87.3	Confident	7 Å²	7	32.5 Å²	32.5	7%	0.072	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	4.9	175.3	0	0	0	0	0	114.8	Y94 G263 R267 H422	Y94-G265 VanDerWaalsContact CD2-O 3.29Å; Y94-G265 WeakPolarHBondContact CD2-O 3.25Å; Y94-G265 WeakPolarHBondContact CE2-O 3.44Å; G263-G265 PolarHBondContact O-N 3.45Å; G265-R267 WeakPolarHBondContact O-CG 3.29Å; G265-R267 PolarHBondContact O-N 2.81Å; G265-H422 PolarHBondContact N-CD2 3.29Å; G265-H422 VanDerWaalsContact N-CD2 3.26Å
266	E	88.5	Confident	86.3	Confident	20 Å²	20	32.9 Å²	32.9	9%	0.093	16%	0.161	C	C	.	.			trans	-63.3	126.6	167.9	-157.7	-63.4	132	0	0	109.4	Y94 G263 R268 H269 L270	Y94-E266 HydrophobicContact CD1-CB 4.25Å; Y94-E266 HydrophobicContact CD1-CG 4.02Å; Y94-E266 HydrophobicContact CE1-CB 3.62Å; Y94-E266 HydrophobicContact CE1-CG 3.61Å; Y94-E266 HydrophobicContact CE2-CB 4.36Å; Y94-E266 VanDerWaalsContact CE2-N 3.26Å; G263-E266 PolarHBondContact O-N 2.72Å; E266-R268 WeakPolarHBondContact OE1-CA 3.38Å; E266-R268 WeakPolarHBondContact OE1-CB 3.47Å; E266-R268 PolarHBondContact OE1-N 3.4Å; E266-R268 PolarHBondContact OE2-N 2.97Å; E266-H269 PolarHBondContact OE1-N 2.75Å; E266-H269 PolarHBondContact OE2-N 3.44Å; E266-L270 HydrophobicContact CB-CB 4.39Å; E266-L270 HydrophobicContact CG-CB 4.46Å; E266-L270 WeakPolarHBondContact OE2-CA 3.42Å; E266-L270 VanDerWaalsContact OE2-CB 3.29Å; E266-L270 WeakPolarHBondContact OE2-CB 3.42Å; E266-L270 PolarHBondContact OE2-N 3.07Å
267	R	76.2	Confident	85.5	Confident	98 Å²	98	33 Å²	33	37%	0.37	16%	0.162	S	C	.	.			trans	-120.9	-9	-171.8	-70	177.4	-164.6	-160.1	6.9	114.7	G265 H271	G265-R267 WeakPolarHBondContact O-CG 3.29Å; G265-R267 PolarHBondContact O-N 2.81Å; R267-H271 WeakPolarHBondContact O-CB 3.49Å
268	R	74.9	Confident	84.6	Confident	127 Å²	127	34.5 Å²	34.5	48%	0.479	17%	0.169	S	C	.	.	S	Bend	trans	-93.7	-56.9	-175	-70	-172.1	175.3	-178.9	1.5	111.6	E266 R272	E266-R268 WeakPolarHBondContact OE1-CA 3.38Å; E266-R268 WeakPolarHBondContact OE1-CB 3.47Å; E266-R268 PolarHBondContact OE1-N 3.4Å; E266-R268 PolarHBondContact OE2-N 2.97Å; R268-R272 PolarHBondContact O-NH1 2.94Å; R268-R272 VanDerWaalsContact O-NH1 3.09Å
269	H	76.1	Confident	83.7	Confident	60 Å²	60	38.1 Å²	38.1	28%	0.278	18%	0.182	S	C	.	.	S	Bend	trans	-97.7	-56.5	-170.9	-69	-78.9	0	0	0	112	S158 E266 H271 R272 V273 E388	S158-H269 WeakPolarHBondContact CB-CE1 3.28Å; S158-H269 WeakPolarHBondContact CB-NE2 3.4Å; S158-H269 PolarHBondContact OG-CE1 2.86Å; S158-H269 PolarHBondContact OG-NE2 3.26Å; S158-H269 VanDerWaalsContact OG-NE2 3.12Å; E266-H269 PolarHBondContact OE1-N 2.75Å; E266-H269 PolarHBondContact OE2-N 3.44Å; H269-H271 PolarHBondContact O-N 3.35Å; H269-R272 PolarHBondContact O-N 3.22Å; H269-V273 WeakPolarHBondContact O-CG2 2.97Å; H269-V273 PolarHBondContact O-N 3.28Å; H269-E388 IonicContact CE1-OE1 2.76Å; H269-E388 PolarHBondContact CE1-OE1 3.33Å; H269-E388 IonicContact ND1-OE1 3.68Å; H269-E388 PolarHBondContact ND1-OE1 2.95Å
270	L	78.1	Confident	82.7	Confident	11 Å²	11	46.7 Å²	46.7	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-40.2	-175.2	-174.4	59.6	0	0	0	111.3	E266 R272 V273 M274 L342 L416	E266-L270 HydrophobicContact CB-CB 4.39Å; E266-L270 HydrophobicContact CG-CB 4.46Å; E266-L270 WeakPolarHBondContact OE2-CA 3.42Å; E266-L270 VanDerWaalsContact OE2-CB 3.29Å; E266-L270 WeakPolarHBondContact OE2-CB 3.42Å; E266-L270 PolarHBondContact OE2-N 3.07Å; L270-R272 VanDerWaalsContact C-N 3.32Å; L270-R272 PolarHBondContact O-N 3.04Å; L270-V273 PolarHBondContact O-N 3.26Å; L270-M274 HydrophobicContact CD1-CE 3.94Å; L270-M274 HydrophobicContact CD2-CE 3.73Å; L270-M274 HydrophobicContact CG-CE 3.55Å; L270-M274 HydrophobicContact CG-SD 4.08Å; L270-M274 WeakPolarHBondContact O-CB 3.13Å; L270-M274 VanDerWaalsContact O-CG 3.23Å; L270-M274 WeakPolarHBondContact O-CG 3.45Å; L270-M274 PolarHBondContact O-N 3.23Å; L270-L342 HydrophobicContact CD1-CD1 3.9Å; L270-L416 HydrophobicContact CD1-CD1 3.9Å; L270-L416 HydrophobicContact CD2-CD1 3.61Å; L270-L416 HydrophobicContact CG-CD1 4.43Å
271	H	78.6	Confident	81.7	Confident	55 Å²	55	47.1 Å²	47.1	26%	0.255	21%	0.208	S	C	.	.	H	α-helix	trans	-58.8	-42.9	173.3	-174.6	69.8	0	0	0	112.3	R267 H269 M274 M275 Y423	R267-H271 WeakPolarHBondContact O-CB 3.49Å; H269-H271 PolarHBondContact O-N 3.35Å; H271-M274 PolarHBondContact O-N 3Å; H271-M275 PolarHBondContact NE2-SD 2.85Å; H271-M275 WeakPolarHBondContact O-CG 3.38Å; H271-M275 PolarHBondContact O-N 3.05Å; H271-Y423 AromaticContact CE1-CE2 3.56Å; H271-Y423 AromaticContact ND1-CD2 3.64Å; H271-Y423 AromaticContact ND1-CE2 3.34Å; H271-Y423 VanDerWaalsContact ND1-CE2 3.34Å; H271-Y423 WeakPolarHBondContact ND1-CE2 3.24Å
272	R	77.7	Confident	80.7	Confident	52 Å²	52	45.1 Å²	45.1	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-41.2	177.1	-171	173.5	73.5	-117.1	5.4	111.7	R268 H269 L270 M275 N276 L382 E388	R268-R272 PolarHBondContact O-NH1 2.94Å; R268-R272 VanDerWaalsContact O-NH1 3.09Å; H269-R272 PolarHBondContact O-N 3.22Å; L270-R272 VanDerWaalsContact C-N 3.32Å; L270-R272 PolarHBondContact O-N 3.04Å; R272-M275 PolarHBondContact O-N 2.79Å; R272-N276 WeakPolarHBondContact O-CB 3.38Å; R272-N276 PolarHBondContact O-N 3.13Å; R272-N276 PolarHBondContact O-ND2 2.87Å; R272-L382 WeakPolarHBondContact CD-O 3.29Å; R272-L382 PolarHBondContact NE-O 3.26Å; R272-E388 IonicContact CZ-OE1 2.66Å; R272-E388 IonicContact NH2-OE1 3.97Å; R272-E388 PolarHBondContact NH2-OE1 3.01Å; R272-E388 IonicContact NH2-OE2 3.63Å; R272-E388 PolarHBondContact NH2-OE2 2.87Å
273	V	80.2	Confident	79.6	Confident	28 Å²	28	47.4 Å²	47.4	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-47.8	174.2	173	0	0	0	0	110.7	H269 L270 M275 N276 V277 F282 L339 L342	H269-V273 WeakPolarHBondContact O-CG2 2.97Å; H269-V273 PolarHBondContact O-N 3.28Å; L270-V273 PolarHBondContact O-N 3.26Å; V273-M275 PolarHBondContact O-N 3.46Å; V273-N276 PolarHBondContact O-N 3.38Å; V273-V277 HydrophobicContact CG1-CG2 4.41Å; V273-V277 WeakPolarHBondContact O-CG2 3.34Å; V273-V277 PolarHBondContact O-N 3.48Å; V273-F282 HydrophobicContact CG1-CD1 4.38Å; V273-L339 HydrophobicContact CG1-CD2 4.26Å; V273-L342 HydrophobicContact CG1-CD1 4.15Å
274	M	81.8	Confident	78.9	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-49.5	177.1	-71.2	166.2	171.2	0	0	111.5	L270 H271 N276 V277 E278 L342 V420 Y423	L270-M274 HydrophobicContact CD1-CE 3.94Å; L270-M274 HydrophobicContact CD2-CE 3.73Å; L270-M274 HydrophobicContact CG-CE 3.55Å; L270-M274 HydrophobicContact CG-SD 4.08Å; L270-M274 WeakPolarHBondContact O-CB 3.13Å; L270-M274 VanDerWaalsContact O-CG 3.23Å; L270-M274 WeakPolarHBondContact O-CG 3.45Å; L270-M274 PolarHBondContact O-N 3.23Å; H271-M274 PolarHBondContact O-N 3Å; M274-N276 VanDerWaalsContact C-N 3.32Å; M274-N276 PolarHBondContact O-N 3Å; M274-V277 PolarHBondContact O-N 2.49Å; M274-E278 WeakPolarHBondContact O-CG 3.45Å; M274-E278 PolarHBondContact O-N 3.13Å; M274-L342 HydrophobicContact CE-CD1 4.14Å; M274-L342 HydrophobicContact CG-CD1 3.5Å; M274-L342 VanDerWaalsContact CG-CD1 3.5Å; M274-L342 HydrophobicContact CG-CG 4.22Å; M274-V420 HydrophobicContact CE-CB 4.1Å; M274-V420 HydrophobicContact CE-CG2 3.67Å; M274-Y423 HydrophobicContact CB-CD1 4.4Å; M274-Y423 HydrophobicContact CB-CE1 4.15Å; M274-Y423 HydrophobicContact CB-CE2 4.37Å; M274-Y423 HydrophobicContact CG-CD1 4.5Å; M274-Y423 VanDerWaalsContact SD-CB 3.56Å; M274-Y423 HydrophobicContact SD-CD1 3.87Å; M274-Y423 HydrophobicContact SD-CD2 3.76Å; M274-Y423 HydrophobicContact SD-CE2 4.42Å; M274-Y423 HydrophobicContact SD-CG 3.44Å
275	M	79.4	Confident	78.5	Confident	60 Å²	60	50.8 Å²	50.8	30%	0.296	22%	0.222	S	C	.	.	H	α-helix	trans	-59.6	-41.1	176.2	-73.4	-177.9	68.4	0	0	112.4	H271 R272 V273 E278 R279	H271-M275 PolarHBondContact NE2-SD 2.85Å; H271-M275 WeakPolarHBondContact O-CG 3.38Å; H271-M275 PolarHBondContact O-N 3.05Å; R272-M275 PolarHBondContact O-N 2.79Å; V273-M275 PolarHBondContact O-N 3.46Å; M275-E278 PolarHBondContact O-N 3.21Å; M275-R279 WeakPolarHBondContact O-CB 3.48Å; M275-R279 VanDerWaalsContact O-CG 3.23Å; M275-R279 WeakPolarHBondContact O-CG 3.48Å; M275-R279 PolarHBondContact O-N 3.34Å
276	N	78.4	Confident	78.4	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-70.3	-33.7	179.3	-73	-22.5	0	0	0	112.4	R272 V273 M274 R279 R280 L281 F282 L383	R272-N276 WeakPolarHBondContact O-CB 3.38Å; R272-N276 PolarHBondContact O-N 3.13Å; R272-N276 PolarHBondContact O-ND2 2.87Å; V273-N276 PolarHBondContact O-N 3.38Å; M274-N276 VanDerWaalsContact C-N 3.32Å; M274-N276 PolarHBondContact O-N 3Å; N276-R279 PolarHBondContact O-N 3.31Å; N276-R280 PolarHBondContact O-N 2.96Å; N276-R280 VanDerWaalsContact O-N 3.17Å; N276-L281 HydrophobicContact CB-CB 4.44Å; N276-L281 PolarHBondContact O-N 3.47Å; N276-F282 HydrophobicContact CB-CB 4.01Å; N276-F282 PolarHBondContact O-N 2.96Å; N276-L383 HydrophobicContact CB-CD2 4.41Å; N276-L383 VanDerWaalsContact CG-CD2 3.48Å; N276-L383 WeakPolarHBondContact ND2-CD2 3.34Å; N276-L383 WeakPolarHBondContact OD1-CD2 3.49Å
277	V	80.8	Confident	78.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-46.6	171.7	169.9	0	0	0	0	110.5	V273 M274 R279 R280 F282 L342 F343 L346 Y348	V273-V277 HydrophobicContact CG1-CG2 4.41Å; V273-V277 WeakPolarHBondContact O-CG2 3.34Å; V273-V277 PolarHBondContact O-N 3.48Å; M274-V277 PolarHBondContact O-N 2.49Å; V277-R279 VanDerWaalsContact C-N 3.28Å; V277-R279 PolarHBondContact O-N 2.8Å; V277-R280 WeakPolarHBondContact O-CA 3.5Å; V277-R280 PolarHBondContact O-N 3.24Å; V277-F282 HydrophobicContact CG2-CB 3.95Å; V277-F282 HydrophobicContact CG2-CD1 3.73Å; V277-F282 HydrophobicContact CG2-CG 4.31Å; V277-L342 HydrophobicContact CB-CD2 4.05Å; V277-L342 HydrophobicContact CG1-CD2 3.93Å; V277-L342 HydrophobicContact CG2-CD2 3.75Å; V277-F343 HydrophobicContact CB-CE1 4.4Å; V277-F343 HydrophobicContact CG1-CD1 3.89Å; V277-F343 HydrophobicContact CG1-CE1 3.78Å; V277-F343 HydrophobicContact CG2-CD1 4.46Å; V277-F343 HydrophobicContact CG2-CE1 3.64Å; V277-F343 HydrophobicContact CG2-CZ 4.06Å; V277-L346 HydrophobicContact CG1-CD1 4.2Å; V277-Y348 HydrophobicContact CG1-CD2 3.91Å; V277-Y348 HydrophobicContact CG1-CG 4.15Å
278	E	81.1	Confident	78.4	Confident	40 Å²	40	49.8 Å²	49.8	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-36.7	176.3	-70.4	-177.6	136	0	0	112.5	M274 M275 R280 L346 Y348 Y423 R427	M274-E278 WeakPolarHBondContact O-CG 3.45Å; M274-E278 PolarHBondContact O-N 3.13Å; M275-E278 PolarHBondContact O-N 3.21Å; E278-R280 PolarHBondContact O-N 2.89Å; E278-L346 HydrophobicContact CG-CD1 4.44Å; E278-Y348 HydrophobicContact CG-CE2 4.19Å; E278-Y423 PolarHBondContact OE2-OH 3.22Å; E278-R427 IonicContact OE1-CZ 3.99Å; E278-R427 IonicContact OE1-NH1 2.93Å; E278-R427 PolarHBondContact OE1-NH1 3Å
279	R	77.4	Confident	78.8	Confident	82 Å²	82	48.7 Å²	48.7	31%	0.309	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.1	174.3	-68.9	173.3	179.6	-156.7	-1.5	113.4	M275 N276 V277 L281	M275-R279 WeakPolarHBondContact O-CB 3.48Å; M275-R279 VanDerWaalsContact O-CG 3.23Å; M275-R279 WeakPolarHBondContact O-CG 3.48Å; M275-R279 PolarHBondContact O-N 3.34Å; N276-R279 PolarHBondContact O-N 3.31Å; V277-R279 VanDerWaalsContact C-N 3.28Å; V277-R279 PolarHBondContact O-N 2.8Å; R279-L281 HydrophobicContact CB-CB 4.49Å; R279-L281 HydrophobicContact CB-CD1 3.9Å; R279-L281 HydrophobicContact CB-CG 3.84Å; R279-L281 PolarHBondContact O-N 3.38Å
280	R	73.1	Confident	79.4	Confident	187 Å²	187	49 Å²	49	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	24.6	-172.4	-55.3	-177.6	177.9	-175.5	-2	113.8	N276 V277 E278 Y348	N276-R280 PolarHBondContact O-N 2.96Å; N276-R280 VanDerWaalsContact O-N 3.17Å; V277-R280 WeakPolarHBondContact O-CA 3.5Å; V277-R280 PolarHBondContact O-N 3.24Å; E278-R280 PolarHBondContact O-N 2.89Å; R280-Y348 HydrophobicContact CG-CE1 4.42Å
281	L	70.9	Confident	80	Confident	40 Å²	40	48.6 Å²	48.6	21%	0.209	25%	0.247	C	C	.	.			trans	-87.9	-14.9	176	-62.3	177.8	0	0	0	112.1	N276 R279 L383 L450	N276-L281 HydrophobicContact CB-CB 4.44Å; N276-L281 PolarHBondContact O-N 3.47Å; R279-L281 HydrophobicContact CB-CB 4.49Å; R279-L281 HydrophobicContact CB-CD1 3.9Å; R279-L281 HydrophobicContact CB-CG 3.84Å; R279-L281 PolarHBondContact O-N 3.38Å; L281-L383 HydrophobicContact CB-CD1 4.46Å; L281-L383 HydrophobicContact CB-CD2 3.95Å; L281-L383 HydrophobicContact CD1-CD2 4.01Å; L281-L450 HydrophobicContact CD1-CD2 3.84Å; L281-L450 HydrophobicContact CD2-CD2 3.63Å; L281-L450 HydrophobicContact CG-CD2 4.34Å
282	F	73.3	Confident	80.7	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.031	26%	0.256	C	S	.	.			trans	-113.7	71.3	173.5	-167.4	-111.5	0	0	0	111.3	V273 N276 V277 F336 L339 F343 F384	V273-F282 HydrophobicContact CG1-CD1 4.38Å; N276-F282 HydrophobicContact CB-CB 4.01Å; N276-F282 PolarHBondContact O-N 2.96Å; V277-F282 HydrophobicContact CG2-CB 3.95Å; V277-F282 HydrophobicContact CG2-CD1 3.73Å; V277-F282 HydrophobicContact CG2-CG 4.31Å; F282-F336 HydrophobicContact CE1-CE1 4.3Å; F282-F336 AromaticContact CZ-CE1 3.79Å; F282-F336 HydrophobicContact CZ-CE1 3.79Å; F282-L339 HydrophobicContact CE1-CD1 3.67Å; F282-L339 HydrophobicContact CZ-CD1 4.19Å; F282-F343 HydrophobicContact CD1-CZ 4.05Å; F282-F343 HydrophobicContact CE1-CZ 4.15Å; F282-F384 AromaticContact CD2-CE2 3.69Å; F282-F384 HydrophobicContact CD2-CE2 3.69Å; F282-F384 AromaticContact CD2-CZ 3.34Å; F282-F384 HydrophobicContact CD2-CZ 3.34Å; F282-F384 HydrophobicContact CE2-CE1 4.1Å; F282-F384 AromaticContact CE2-CE2 3.8Å; F282-F384 HydrophobicContact CE2-CE2 3.8Å; F282-F384 AromaticContact CE2-CZ 3.17Å; F282-F384 HydrophobicContact CE2-CZ 3.17Å; F282-F384 HydrophobicContact CG-CZ 4.5Å; F282-F384 HydrophobicContact CZ-CZ 4.22Å
283	S	71.1	Confident	81.4	Confident	58 Å²	58	49.3 Å²	49.3	41%	0.406	25%	0.248	S	C	.	.			trans	-119.5	14.4	-176.6	67	0	0	0	0	113.8
284	F	80.2	Confident	82.2	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.9	-178.2	58.8	-92.1	0	0	0	112.5	F286 I353 L355 V360 F384	F284-F286 AromaticContact CD2-CD1 3.91Å; F284-F286 HydrophobicContact CD2-CD1 3.91Å; F284-F286 AromaticContact CE2-CD1 3.74Å; F284-F286 HydrophobicContact CE2-CD1 3.74Å; F284-F286 HydrophobicContact CE2-CE1 4.05Å; F284-I353 CarbonylContact C-O 3.59Å; F284-I353 VanDerWaalsContact CA-O 3.27Å; F284-I353 WeakPolarHBondContact CA-O 3.23Å; F284-L355 HydrophobicContact CB-CD1 3.97Å; F284-L355 HydrophobicContact CB-CG 3.96Å; F284-L355 HydrophobicContact CD1-CD1 4.01Å; F284-L355 HydrophobicContact CD2-CB 4.42Å; F284-L355 HydrophobicContact CD2-CD1 3.59Å; F284-L355 HydrophobicContact CD2-CG 4.09Å; F284-L355 HydrophobicContact CE1-CD1 4.42Å; F284-L355 HydrophobicContact CE2-CD1 4.04Å; F284-L355 HydrophobicContact CG-CD1 3.57Å; F284-L355 HydrophobicContact CG-CG 4.08Å; F284-L355 HydrophobicContact CZ-CD1 4.43Å; F284-V360 HydrophobicContact CD2-CG2 4.49Å; F284-V360 HydrophobicContact CE2-CG1 4.36Å; F284-V360 HydrophobicContact CE2-CG2 4.04Å; F284-F384 HydrophobicContact CZ-CE2 4.24Å
285	R	83.8	Confident	82.8	Confident	96 Å²	96	50.3 Å²	50.3	36%	0.362	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.5	171.8	-59.9	-178.6	-81.8	171	-4.2	110	F336 P351 S352 I353 T354 L355	R285-F336 VanDerWaalsContact CA-CZ 3.42Å; R285-F336 HydrophobicContact CB-CD1 4.47Å; R285-F336 HydrophobicContact CB-CD2 4.21Å; R285-F336 HydrophobicContact CB-CE1 4.13Å; R285-F336 HydrophobicContact CB-CE2 3.87Å; R285-F336 HydrophobicContact CB-CZ 3.85Å; R285-F336 HydrophobicContact CG-CD1 3.7Å; R285-F336 HydrophobicContact CG-CD2 3.98Å; R285-F336 HydrophobicContact CG-CE1 3.78Å; R285-F336 HydrophobicContact CG-CE2 4.07Å; R285-F336 HydrophobicContact CG-CG 3.82Å; R285-F336 HydrophobicContact CG-CZ 3.99Å; R285-P351 WeakPolarHBondContact CD-O 3.42Å; R285-P351 HydrophobicContact CG-CB 3.78Å; R285-P351 PolarHBondContact NE-O 3.21Å; R285-S352 PolarHBondContact NH2-O 2.87Å; R285-I353 PolarHBondContact N-O 3.17Å; R285-T354 CarbonylContact O-C 3.58Å; R285-T354 VanDerWaalsContact O-CA 3.31Å; R285-T354 WeakPolarHBondContact O-CA 3.42Å; R285-L355 PolarHBondContact O-N 3.41Å
286	F	84.3	Confident	83.7	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.022	24%	0.235	C	C	.	.			trans	-157.8	164.7	172.1	63.1	-85.6	0	0	0	109.1	F284 F336 L355 V360 V389 I392	F284-F286 AromaticContact CD2-CD1 3.91Å; F284-F286 HydrophobicContact CD2-CD1 3.91Å; F284-F286 AromaticContact CE2-CD1 3.74Å; F284-F286 HydrophobicContact CE2-CD1 3.74Å; F284-F286 HydrophobicContact CE2-CE1 4.05Å; F286-F336 HydrophobicContact CD1-CZ 4.47Å; F286-L355 WeakPolarHBondContact CB-O 3.38Å; F286-V360 HydrophobicContact CB-CG2 3.96Å; F286-V360 HydrophobicContact CD1-CG1 4.23Å; F286-V360 HydrophobicContact CD1-CG2 4.26Å; F286-V360 HydrophobicContact CD2-CG1 4.28Å; F286-V360 HydrophobicContact CE1-CG1 4.21Å; F286-V360 HydrophobicContact CE2-CG1 4.27Å; F286-V360 HydrophobicContact CG-CB 4.43Å; F286-V360 HydrophobicContact CG-CG1 4.26Å; F286-V360 HydrophobicContact CG-CG2 4.03Å; F286-V360 HydrophobicContact CZ-CG1 4.23Å; F286-V389 HydrophobicContact CD2-CG1 4.33Å; F286-V389 HydrophobicContact CE2-CB 4.37Å; F286-V389 HydrophobicContact CE2-CG1 3.87Å; F286-I392 HydrophobicContact CD2-CG2 4.38Å; F286-I392 HydrophobicContact CE2-CB 3.88Å; F286-I392 HydrophobicContact CE2-CD1 4.49Å; F286-I392 HydrophobicContact CE2-CG2 3.71Å; F286-I392 HydrophobicContact CZ-CB 4.05Å; F286-I392 HydrophobicContact CZ-CD1 3.83Å; F286-I392 HydrophobicContact CZ-CG2 3.8Å
287	G	83.2	Confident	84.6	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	23%	0.233	C	C	.	.	S	Bend	trans	85.4	-176.8	-173.7	0	0	0	0	0	112.9	P289	G287-P289 WeakPolarHBondContact O-CD 3.43Å
288	D	82.6	Confident	85.4	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.444	23%	0.233	S	C	.	.			trans	-67.2	121.3	176.5	176.6	3.3	0	0	0	110.2	A290 A291 T393	D288-A290 PolarHBondContact O-N 3.22Å; D288-A290 WeakPolarHBondContact OD1-CB 3.47Å; D288-A290 PolarHBondContact OD1-N 3.12Å; D288-A291 HydrophobicContact CB-CB 4.09Å; D288-A291 WeakPolarHBondContact O-CB 3.31Å; D288-A291 PolarHBondContact O-N 3.08Å; D288-T393 PolarHBondContact N-O 3.08Å
289	P	83.6	Confident	86.2	Confident	104 Å²	104	46.9 Å²	46.9	68%	0.675	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	176.5	-22.7	33.8	0	0	0	113.9	G287 N334	G287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-N334 PolarHBondContact O-ND2 3.34Å
290	A	87.8	Confident	87.2	Confident	68 Å²	68	43 Å²	43	56%	0.562	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.4	176	0	0	0	0	0	112.9	D288 R292	D288-A290 PolarHBondContact O-N 3.22Å; D288-A290 WeakPolarHBondContact OD1-CB 3.47Å; D288-A290 PolarHBondContact OD1-N 3.12Å; A290-R292 WeakPolarHBondContact O-CG 3.23Å; A290-R292 PolarHBondContact O-N 3.44Å
291	A	90.1	Very high	88.4	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.017	19%	0.185	C	C	.	.			trans	-58	130.4	179.9	0	0	0	0	0	110.7	D288 N334 S395	D288-A291 HydrophobicContact CB-CB 4.09Å; D288-A291 WeakPolarHBondContact O-CB 3.31Å; D288-A291 PolarHBondContact O-N 3.08Å; A291-N334 VanDerWaalsContact O-CA 3.32Å; A291-N334 WeakPolarHBondContact O-CA 3.31Å; A291-N334 PolarHBondContact O-ND2 2.81Å; A291-S395 WeakPolarHBondContact CA-OG 3.48Å
292	R	93.6	Very high	89.7	Confident	116 Å²	116	32.4 Å²	32.4	44%	0.438	18%	0.176	S	C	.	.			trans	-117.7	142	177.1	-53	-176.7	76.8	81.5	-9.1	109.9	A290 S332 S395 H396 T397	A290-R292 WeakPolarHBondContact O-CG 3.23Å; A290-R292 PolarHBondContact O-N 3.44Å; R292-S332 PolarHBondContact NE-O 3.47Å; R292-S332 PolarHBondContact NH2-O 3.02Å; R292-S395 PolarHBondContact N-OG 3.06Å; R292-S395 VanDerWaalsContact N-OG 3.07Å; R292-S395 VanDerWaalsContact O-CA 3.24Å; R292-S395 WeakPolarHBondContact O-CA 3.47Å; R292-H396 PolarHBondContact O-N 3.45Å; R292-T397 HydrophobicContact CB-CG2 3.99Å; R292-T397 WeakPolarHBondContact O-CG2 3.4Å
293	M	93.8	Very high	90.9	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.7	178.4	58.2	-168.6	69.6	0	0	110.3	W295 V333 L335 H396	M293-W295 HydrophobicContact CG-CZ2 4.08Å; M293-W295 HydrophobicContact SD-CH2 4.33Å; M293-W295 HydrophobicContact SD-CZ2 3.39Å; M293-W295 WeakPolarHBondContact SD-CZ2 3.47Å; M293-V333 PolarHBondContact N-O 3.48Å; M293-V333 PolarHBondContact O-N 3.49Å; M293-L335 HydrophobicContact CE-CB 3.73Å; M293-L335 HydrophobicContact SD-CB 3.88Å; M293-L335 HydrophobicContact SD-CD1 4.19Å; M293-H396 VanDerWaalsContact CB-CE1 3.41Å; M293-H396 WeakPolarHBondContact CB-CE1 3.47Å; M293-H396 WeakPolarHBondContact CB-NE2 3.28Å
294	N	95.3	Very high	92.2	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	150	173.5	-60	127.8	0	0	0	111.4	C259 N328 L331 S332 T397 F398	C259-N294 HydrophobicContact CB-CB 4.24Å; C259-N294 WeakPolarHBondContact CB-O 3.12Å; C259-N294 VanDerWaalsContact SG-C 3.52Å; C259-N294 PolarHBondContact SG-O 3.21Å; N294-N328 HydrophobicContact CB-CB 3.7Å; N294-N328 PolarHBondContact OD1-ND2 3.33Å; N294-L331 PolarHBondContact ND2-O 3.49Å; N294-S332 PolarHBondContact ND2-OG 2.65Å; N294-T397 WeakPolarHBondContact OD1-CA 3.5Å; N294-F398 PolarHBondContact OD1-N 2.88Å
295	W	95.3	Very high	93.1	Very high	48 Å²	48	30.6 Å²	30.6	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.1	172.8	-59.8	92.7	0	0	0	109.3	C259 Y262 M293 D329 L335 W338	C259-W295 WeakPolarHBondContact SG-CA 3.35Å; Y262-W295 HydrophobicContact CD1-CB 3.82Å; Y262-W295 HydrophobicContact CE1-CB 3.76Å; M293-W295 HydrophobicContact CG-CZ2 4.08Å; M293-W295 HydrophobicContact SD-CH2 4.33Å; M293-W295 HydrophobicContact SD-CZ2 3.39Å; M293-W295 WeakPolarHBondContact SD-CZ2 3.47Å; W295-D329 PolarHBondContact O-N 3.25Å; W295-L335 HydrophobicContact CH2-CD1 4.07Å; W295-L335 HydrophobicContact CZ2-CD1 3.59Å; W295-W338 HydrophobicContact CB-CZ2 4.42Å; W295-W338 AromaticContact CD1-CD1 3.71Å; W295-W338 AromaticContact CD1-CD2 3.95Å; W295-W338 AromaticContact CD1-CE2 3.88Å; W295-W338 AromaticContact CD1-CG 3.85Å; W295-W338 AromaticContact CD1-NE1 3.71Å; W295-W338 HydrophobicContact CD2-CD2 4.04Å; W295-W338 AromaticContact CD2-CE2 3.77Å; W295-W338 HydrophobicContact CD2-CE3 4.25Å; W295-W338 AromaticContact CD2-CH2 3.98Å; W295-W338 HydrophobicContact CD2-CH2 3.98Å; W295-W338 AromaticContact CD2-CZ2 3.75Å; W295-W338 HydrophobicContact CD2-CZ2 3.75Å; W295-W338 HydrophobicContact CD2-CZ3 4.22Å; W295-W338 AromaticContact CE2-CD2 3.74Å; W295-W338 AromaticContact CE2-CE2 3.99Å; W295-W338 AromaticContact CE2-CE3 3.75Å; W295-W338 AromaticContact CE3-CH2 3.74Å; W295-W338 HydrophobicContact CE3-CH2 3.74Å; W295-W338 AromaticContact CE3-CZ2 3.83Å; W295-W338 HydrophobicContact CE3-CZ2 3.83Å; W295-W338 HydrophobicContact CE3-CZ3 4.18Å; W295-W338 HydrophobicContact CG-CD2 4.17Å; W295-W338 AromaticContact CG-CE2 3.72Å; W295-W338 HydrophobicContact CG-CG 4.46Å; W295-W338 HydrophobicContact CG-CZ2 4.01Å; W295-W338 AromaticContact CG-NE1 3.74Å; W295-W338 HydrophobicContact CH2-CE3 4.24Å; W295-W338 HydrophobicContact CH2-CH2 4.17Å; W295-W338 AromaticContact CH2-CZ3 3.82Å; W295-W338 HydrophobicContact CH2-CZ3 3.82Å; W295-W338 HydrophobicContact CZ2-CD2 4.23Å; W295-W338 AromaticContact CZ2-CE3 3.75Å; W295-W338 HydrophobicContact CZ2-CE3 3.75Å; W295-W338 HydrophobicContact CZ2-CH2 4.36Å; W295-W338 AromaticContact CZ2-CZ3 3.82Å; W295-W338 HydrophobicContact CZ2-CZ3 3.82Å; W295-W338 AromaticContact CZ3-CH2 3.85Å; W295-W338 HydrophobicContact CZ3-CH2 3.85Å; W295-W338 HydrophobicContact CZ3-CZ2 4.41Å; W295-W338 AromaticContact CZ3-CZ3 4Å; W295-W338 HydrophobicContact CZ3-CZ3 4Å; W295-W338 AromaticContact NE1-CD2 3.65Å; W295-W338 AromaticContact NE1-CG 3.69Å
296	V	97.3	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.8	175.2	66.6	0	0	0	0	109.9	P258 C259 G260 I261 Y262 N300 L301 I327 D329	P258-V296 HydrophobicContact CB-CG1 4.08Å; C259-V296 PolarHBondContact SG-N 2.95Å; C259-V296 VanDerWaalsContact SG-N 3.39Å; G260-V296 PolarHBondContact O-N 3.41Å; I261-V296 WeakPolarHBondContact CA-O 3.42Å; I261-V296 HydrophobicContact CB-CG1 4.33Å; I261-V296 HydrophobicContact CG1-CG1 3.9Å; Y262-V296 VanDerWaalsContact CD1-C 3.47Å; Y262-V296 VanDerWaalsContact CD1-O 3.23Å; Y262-V296 WeakPolarHBondContact CD1-O 3.46Å; Y262-V296 PolarHBondContact N-O 3.46Å; V296-N300 HydrophobicContact CG2-CB 4.24Å; V296-L301 HydrophobicContact CG1-CD2 4.5Å; V296-L301 HydrophobicContact CG2-CB 3.94Å; V296-I327 HydrophobicContact CG2-CG2 4.06Å; V296-D329 WeakPolarHBondContact CA-OD1 3.23Å
297	H	97.7	Very high	94.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.4	171.1	-171.3	-107.1	0	0	0	109.6	Y262 G263 P264 D299 N300 L301 D329 Y414 D418	Y262-H297 AromaticContact CD2-CD2 3.83Å; Y262-H297 HydrophobicContact CE1-CB 3.95Å; Y262-H297 HydrophobicContact CE2-CB 4.16Å; Y262-H297 AromaticContact CE2-CD2 3.56Å; Y262-H297 CarbonylContact O-C 3.5Å; G263-H297 WeakPolarHBondContact CA-NE2 3.21Å; P264-H297 WeakPolarHBondContact CD-NE2 3.42Å; H297-D299 IonicContact CE1-OD2 2.81Å; H297-D299 PolarHBondContact CE1-OD2 3.02Å; H297-D299 PolarHBondContact ND1-N 2.94Å; H297-D299 IonicContact ND1-OD2 3.2Å; H297-D299 PolarHBondContact O-N 3.31Å; H297-D299 VanDerWaalsContact O-N 3.14Å; H297-N300 HydrophobicContact CB-CB 4.43Å; H297-N300 WeakPolarHBondContact O-CB 3.47Å; H297-N300 PolarHBondContact O-N 2.95Å; H297-L301 PolarHBondContact O-N 3.48Å; H297-D329 PolarHBondContact N-OD1 2.97Å; H297-D329 PolarHBondContact N-OD2 3.09Å; H297-D329 VanDerWaalsContact N-OD2 3.13Å; H297-Y414 HydrophobicContact CB-CD2 3.45Å; H297-Y414 VanDerWaalsContact CB-CD2 3.45Å; H297-Y414 HydrophobicContact CB-CE2 4.18Å; H297-Y414 HydrophobicContact CB-CG 3.76Å; H297-Y414 AromaticContact CD2-CG 3.84Å; H297-Y414 AromaticContact CE1-CD1 3.46Å; H297-Y414 VanDerWaalsContact CE1-CD1 3.46Å; H297-Y414 WeakPolarHBondContact CE1-CD1 3.34Å; H297-Y414 AromaticContact CE1-CE1 3.62Å; H297-Y414 AromaticContact CE1-CG 3.79Å; H297-Y414 AromaticContact CG-CD1 3.85Å; H297-Y414 AromaticContact CG-CD2 3.43Å; H297-Y414 VanDerWaalsContact CG-CD2 3.43Å; H297-Y414 AromaticContact CG-CG 3.33Å; H297-Y414 AromaticContact ND1-CD1 3.41Å; H297-Y414 WeakPolarHBondContact ND1-CD1 3.39Å; H297-Y414 AromaticContact ND1-CD2 3.31Å; H297-Y414 VanDerWaalsContact ND1-CD2 3.31Å; H297-Y414 WeakPolarHBondContact ND1-CD2 3.32Å; H297-Y414 AromaticContact ND1-CE1 3.56Å; H297-Y414 AromaticContact ND1-CE2 3.44Å; H297-Y414 WeakPolarHBondContact ND1-CE2 3.36Å; H297-Y414 AromaticContact ND1-CG 3.3Å; H297-Y414 VanDerWaalsContact ND1-CG 3.3Å; H297-Y414 AromaticContact ND1-CZ 3.59Å; H297-Y414 AromaticContact NE2-CD1 3.96Å; H297-D418 IonicContact CD2-OD2 3.95Å; H297-D418 IonicContact CE1-OD2 3.8Å; H297-D418 IonicContact NE2-OD2 3.77Å; H297-D418 PolarHBondContact NE2-OD2 3Å
298	I	97.5	Very high	95.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-54.4	-38.4	-176.8	-172.1	168.8	0	0	0	112.4	Y94 F95 R98 I261 Y262 L301 V302	Y94-I298 HydrophobicContact CD1-CD1 4.03Å; Y94-I298 HydrophobicContact CD2-CD1 3.89Å; Y94-I298 HydrophobicContact CE1-CB 4.42Å; Y94-I298 HydrophobicContact CE1-CD1 3.6Å; Y94-I298 HydrophobicContact CE1-CG1 4.41Å; Y94-I298 HydrophobicContact CE2-CD1 3.42Å; Y94-I298 VanDerWaalsContact CE2-CD1 3.42Å; Y94-I298 HydrophobicContact CG-CD1 4.17Å; Y94-I298 WeakPolarHBondContact OH-CG2 3.42Å; F95-I298 HydrophobicContact CD2-CG1 4.21Å; R98-I298 HydrophobicContact CB-CD1 3.54Å; R98-I298 HydrophobicContact CB-CG1 4.14Å; R98-I298 HydrophobicContact CG-CD1 3.74Å; R98-I298 HydrophobicContact CG-CG1 3.93Å; I261-I298 HydrophobicContact CG2-CB 4.15Å; I261-I298 HydrophobicContact CG2-CG1 4.49Å; Y262-I298 PolarHBondContact O-N 3.34Å; I298-L301 WeakPolarHBondContact O-CB 3.47Å; I298-L301 PolarHBondContact O-N 2.98Å; I298-V302 VanDerWaalsContact O-CG2 3.3Å; I298-V302 WeakPolarHBondContact O-CG2 3.45Å; I298-V302 PolarHBondContact O-N 2.88Å
299	D	97.7	Very high	95.9	Very high	35 Å²	35	23.6 Å²	23.6	19%	0.187	13%	0.128	C	C	.	.	H	α-helix	trans	-71.8	-32.7	-179.5	-65.9	-23.9	0	0	0	112.3	R98 H297 V302 L303 Y414	R98-D299 IonicContact CZ-OD1 2.67Å; R98-D299 IonicContact NE-OD1 3.22Å; R98-D299 PolarHBondContact NE-OD1 2.87Å; R98-D299 IonicContact NH2-OD1 3.49Å; R98-D299 PolarHBondContact NH2-OD1 2.95Å; R98-D299 IonicContact NH2-OD2 3.42Å; R98-D299 PolarHBondContact NH2-OD2 3.27Å; H297-D299 IonicContact CE1-OD2 2.81Å; H297-D299 PolarHBondContact CE1-OD2 3.02Å; H297-D299 PolarHBondContact ND1-N 2.94Å; H297-D299 IonicContact ND1-OD2 3.2Å; H297-D299 PolarHBondContact O-N 3.31Å; H297-D299 VanDerWaalsContact O-N 3.14Å; D299-V302 PolarHBondContact O-N 3.47Å; D299-L303 WeakPolarHBondContact O-CB 3.05Å; D299-L303 PolarHBondContact O-N 2.67Å; D299-Y414 HydrophobicContact CB-CE2 4.27Å
300	N	98.4	Very high	96.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-37.2	170.6	-77.7	-22.7	0	0	0	111.3	V296 H297 L303 A304 D329 Y409 P411 Q412 Y414	V296-N300 HydrophobicContact CG2-CB 4.24Å; H297-N300 HydrophobicContact CB-CB 4.43Å; H297-N300 WeakPolarHBondContact O-CB 3.47Å; H297-N300 PolarHBondContact O-N 2.95Å; N300-L303 WeakPolarHBondContact O-CB 3.31Å; N300-L303 PolarHBondContact O-N 2.93Å; N300-A304 PolarHBondContact O-N 3.48Å; N300-D329 PolarHBondContact ND2-OD1 2.52Å; N300-Y409 WeakPolarHBondContact O-CE2 3.46Å; N300-P411 HydrophobicContact CB-CB 4.43Å; N300-Q412 PolarHBondContact ND2-O 2.67Å; N300-Q412 PolarHBondContact OD1-N 3.45Å; N300-Y414 WeakPolarHBondContact OD1-CE2 3.42Å
301	L	98.6	Very high	97.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-38.5	175.3	-173.4	57.6	0	0	0	112.1	F95 P258 I261 V296 H297 I298 A304 H305 I327	F95-L301 HydrophobicContact CD1-CD2 4.41Å; F95-L301 HydrophobicContact CD2-CB 4.48Å; F95-L301 HydrophobicContact CD2-CD2 3.69Å; F95-L301 HydrophobicContact CD2-CG 4.05Å; F95-L301 HydrophobicContact CE1-CD2 4.37Å; F95-L301 HydrophobicContact CE2-CB 4.02Å; F95-L301 HydrophobicContact CE2-CD2 3.66Å; F95-L301 HydrophobicContact CE2-CG 3.5Å; F95-L301 HydrophobicContact CG-CD2 4.11Å; F95-L301 HydrophobicContact CZ-CD2 4.03Å; F95-L301 HydrophobicContact CZ-CG 3.82Å; P258-L301 HydrophobicContact CB-CD1 3.73Å; P258-L301 HydrophobicContact CB-CD2 4.08Å; P258-L301 HydrophobicContact CG-CD1 4.25Å; P258-L301 HydrophobicContact CG-CD2 4.36Å; I261-L301 HydrophobicContact CD1-CD2 3.42Å; I261-L301 VanDerWaalsContact CD1-CD2 3.42Å; I261-L301 HydrophobicContact CG1-CD2 3.8Å; I261-L301 HydrophobicContact CG2-CD2 4.35Å; V296-L301 HydrophobicContact CG1-CD2 4.5Å; V296-L301 HydrophobicContact CG2-CB 3.94Å; H297-L301 PolarHBondContact O-N 3.48Å; I298-L301 WeakPolarHBondContact O-CB 3.47Å; I298-L301 PolarHBondContact O-N 2.98Å; L301-A304 PolarHBondContact O-N 3.36Å; L301-H305 PolarHBondContact O-N 3.37Å; L301-H305 VanDerWaalsContact O-N 3.07Å; L301-H305 PolarHBondContact O-ND1 2.77Å; L301-I327 HydrophobicContact CD1-CB 4.39Å; L301-I327 HydrophobicContact CD1-CG2 3.88Å
302	V	98.6	Very high	97.4	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-47.5	172.8	169.1	0	0	0	0	110.4	F95 R98 L99 E102 I298 D299 A304 H305 K306	F95-V302 HydrophobicContact CD2-CG2 4.41Å; F95-V302 HydrophobicContact CE2-CG2 3.88Å; R98-V302 HydrophobicContact CB-CG2 4.35Å; R98-V302 HydrophobicContact CG-CG2 3.88Å; L99-V302 HydrophobicContact CB-CG2 4.25Å; L99-V302 HydrophobicContact CD1-CG1 4.02Å; E102-V302 HydrophobicContact CB-CG1 3.64Å; E102-V302 HydrophobicContact CG-CG1 3.62Å; I298-V302 VanDerWaalsContact O-CG2 3.3Å; I298-V302 WeakPolarHBondContact O-CG2 3.45Å; I298-V302 PolarHBondContact O-N 2.88Å; D299-V302 PolarHBondContact O-N 3.47Å; V302-A304 VanDerWaalsContact C-N 3.32Å; V302-A304 PolarHBondContact O-N 3.09Å; V302-H305 PolarHBondContact O-N 2.93Å; V302-H305 VanDerWaalsContact O-N 3.17Å; V302-K306 HydrophobicContact CG1-CD 3.92Å; V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 3.41Å
303	L	98.6	Very high	97.5	Very high	51 Å²	51	13.4 Å²	13.4	27%	0.267	7%	0.068	S	C	.	.	H	α-helix	trans	-54.3	-48.1	174	175	63	0	0	0	111.3	D299 N300 H305 K306 L307 Y409	D299-L303 WeakPolarHBondContact O-CB 3.05Å; D299-L303 PolarHBondContact O-N 2.67Å; N300-L303 WeakPolarHBondContact O-CB 3.31Å; N300-L303 PolarHBondContact O-N 2.93Å; L303-H305 VanDerWaalsContact C-N 3.32Å; L303-H305 PolarHBondContact O-N 3.47Å; L303-K306 PolarHBondContact O-N 2.83Å; L303-L307 HydrophobicContact CD1-CD1 3.93Å; L303-L307 HydrophobicContact CD1-CG 4.02Å; L303-L307 HydrophobicContact CG-CD1 3.9Å; L303-L307 HydrophobicContact CG-CG 4.4Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.04Å; L303-Y409 HydrophobicContact CD2-CD2 4.45Å; L303-Y409 HydrophobicContact CD2-CE2 4.47Å; L303-Y409 HydrophobicContact CG-CD2 4.45Å
304	A	98.7	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-40.9	178.3	0	0	0	0	0	112.9	L256 N300 L301 V302 A308 I327 Y409	L256-A304 HydrophobicContact CD1-CB 4.29Å; N300-A304 PolarHBondContact O-N 3.48Å; L301-A304 PolarHBondContact O-N 3.36Å; V302-A304 VanDerWaalsContact C-N 3.32Å; V302-A304 PolarHBondContact O-N 3.09Å; A304-A308 VanDerWaalsContact O-CB 3.29Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.18Å; A304-I327 HydrophobicContact CB-CB 4.46Å; A304-I327 HydrophobicContact CB-CD1 3.77Å; A304-I327 HydrophobicContact CB-CG1 3.99Å; A304-I327 HydrophobicContact CB-CG2 3.6Å; A304-Y409 HydrophobicContact CB-CD2 3.93Å; A304-Y409 HydrophobicContact CB-CE2 3.78Å
305	H	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-41.4	177.8	-77.6	68.9	0	0	0	112.1	F95 L99 F150 T194 L256 L301 V302 L303 A308 A309	F95-H305 AromaticContact CE1-CE1 3.64Å; F95-H305 AromaticContact CE1-NE2 3.58Å; F95-H305 HydrophobicContact CZ-CB 4.5Å; F95-H305 AromaticContact CZ-CD2 3.82Å; F95-H305 AromaticContact CZ-CE1 3.35Å; F95-H305 WeakPolarHBondContact CZ-CE1 3.35Å; F95-H305 AromaticContact CZ-CG 3.67Å; F95-H305 AromaticContact CZ-ND1 3.37Å; F95-H305 WeakPolarHBondContact CZ-ND1 3.16Å; F95-H305 AromaticContact CZ-NE2 3.64Å; L99-H305 HydrophobicContact CD1-CB 3.96Å; L99-H305 HydrophobicContact CD2-CB 4.14Å; F150-H305 HydrophobicContact CD1-CB 4.23Å; F150-H305 HydrophobicContact CE1-CB 4.19Å; F150-H305 WeakPolarHBondContact CE1-O 3.41Å; T194-H305 PolarHBondContact OG1-NE2 3.49Å; L256-H305 HydrophobicContact CD1-CB 4.28Å; L256-H305 WeakPolarHBondContact CD1-ND1 3.35Å; L301-H305 PolarHBondContact O-N 3.37Å; L301-H305 VanDerWaalsContact O-N 3.07Å; L301-H305 PolarHBondContact O-ND1 2.77Å; V302-H305 PolarHBondContact O-N 2.93Å; V302-H305 VanDerWaalsContact O-N 3.17Å; L303-H305 VanDerWaalsContact C-N 3.32Å; L303-H305 PolarHBondContact O-N 3.47Å; H305-A308 PolarHBondContact O-N 3Å; H305-A309 PolarHBondContact O-N 3.44Å
306	K	98.3	Very high	97.3	Very high	19 Å²	19	31.4 Å²	31.4	8%	0.083	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-54.3	174.1	-69.3	164.6	63.1	178.7	0	110.2	W79 E102 L103 E106 V302 L303 A308 A309 E310	W79-K306 HydrophobicContact CE3-CB 4.36Å; W79-K306 WeakPolarHBondContact CH2-O 3.41Å; W79-K306 HydrophobicContact CZ3-CB 3.98Å; W79-K306 WeakPolarHBondContact CZ3-O 3.35Å; E102-K306 HydrophobicContact CG-CD 3.75Å; E102-K306 IonicContact OE1-NZ 3.74Å; E102-K306 PolarHBondContact OE1-NZ 3.1Å; L103-K306 HydrophobicContact CD2-CG 3.98Å; E106-K306 VanDerWaalsContact CD-CE 3.4Å; E106-K306 VanDerWaalsContact CD-NZ 3.29Å; E106-K306 WeakPolarHBondContact OE1-CE 3.47Å; E106-K306 IonicContact OE1-NZ 3.12Å; E106-K306 PolarHBondContact OE1-NZ 3.34Å; E106-K306 WeakPolarHBondContact OE2-CE 3.38Å; E106-K306 IonicContact OE2-NZ 2.95Å; V302-K306 HydrophobicContact CG1-CD 3.92Å; V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 3.41Å; L303-K306 PolarHBondContact O-N 2.83Å; K306-A308 VanDerWaalsContact C-N 3.29Å; K306-A308 PolarHBondContact O-N 3.24Å; K306-A309 WeakPolarHBondContact O-CB 3.29Å; K306-A309 PolarHBondContact O-N 3.41Å; K306-E310 PolarHBondContact O-N 3.25Å
307	L	98.4	Very high	97.2	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-40.1	179.3	-66.6	173.5	0	0	0	112.3	L303 E310 A311 L407 Y409	L303-L307 HydrophobicContact CD1-CD1 3.93Å; L303-L307 HydrophobicContact CD1-CG 4.02Å; L303-L307 HydrophobicContact CG-CD1 3.9Å; L303-L307 HydrophobicContact CG-CG 4.4Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.04Å; L307-E310 PolarHBondContact O-N 3.21Å; L307-A311 VanDerWaalsContact O-CB 3.24Å; L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 3.44Å; L307-L407 HydrophobicContact CB-CB 4.15Å; L307-Y409 HydrophobicContact CD1-CD2 4.2Å
308	A	98.6	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-44.8	173.8	0	0	0	0	0	112.4	V192 C254 L256 A304 H305 K306 E310 A311 L312 L407	V192-A308 HydrophobicContact CG1-CB 4.16Å; V192-A308 HydrophobicContact CG2-CB 4.35Å; C254-A308 HydrophobicContact CB-CB 4.49Å; L256-A308 HydrophobicContact CD1-CB 3.96Å; L256-A308 HydrophobicContact CD2-CB 4.16Å; L256-A308 HydrophobicContact CG-CB 4.35Å; A304-A308 VanDerWaalsContact O-CB 3.29Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.18Å; H305-A308 PolarHBondContact O-N 3Å; K306-A308 VanDerWaalsContact C-N 3.29Å; K306-A308 PolarHBondContact O-N 3.24Å; A308-E310 VanDerWaalsContact C-N 3.33Å; A308-E310 PolarHBondContact O-N 3.3Å; A308-A311 PolarHBondContact O-N 3.14Å; A308-L312 WeakPolarHBondContact O-CG 3.45Å; A308-L312 PolarHBondContact O-N 2.94Å; A308-L312 VanDerWaalsContact O-N 3.13Å; A308-L407 HydrophobicContact CB-CD1 4.46Å
309	A	98	Very high	97.2	Very high	1 Å²	1	39 Å²	39	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-35.1	177.2	0	0	0	0	0	112.7	W79 F150 R190 V192 H305 K306	W79-A309 HydrophobicContact CH2-CB 4.29Å; F150-A309 HydrophobicContact CE1-CB 3.65Å; F150-A309 HydrophobicContact CZ-CB 3.46Å; F150-A309 VanDerWaalsContact CZ-CB 3.46Å; R190-A309 PolarHBondContact NH1-O 3.4Å; V192-A309 HydrophobicContact CG2-CB 4.03Å; H305-A309 PolarHBondContact O-N 3.44Å; K306-A309 WeakPolarHBondContact O-CB 3.29Å; K306-A309 PolarHBondContact O-N 3.41Å
310	E	96.9	Very high	97.2	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-43.8	173.1	-158.3	-175.5	160.2	0	0	111.6	W79 K306 L307 A308 L312 T313 K316	W79-E310 HydrophobicContact CE3-CB 4.47Å; W79-E310 HydrophobicContact CH2-CB 3.86Å; W79-E310 HydrophobicContact CH2-CG 4.46Å; W79-E310 HydrophobicContact CZ3-CB 3.57Å; W79-E310 HydrophobicContact CZ3-CG 4.12Å; K306-E310 PolarHBondContact O-N 3.25Å; L307-E310 PolarHBondContact O-N 3.21Å; A308-E310 VanDerWaalsContact C-N 3.33Å; A308-E310 PolarHBondContact O-N 3.3Å; E310-L312 PolarHBondContact O-N 2.87Å; E310-T313 VanDerWaalsContact O-CB 3.26Å; E310-T313 WeakPolarHBondContact O-CB 3.49Å; E310-T313 VanDerWaalsContact O-CG2 3.31Å; E310-T313 WeakPolarHBondContact O-CG2 3.18Å; E310-T313 PolarHBondContact O-N 2.96Å; E310-T313 PolarHBondContact O-OG1 2.83Å; E310-K316 VanDerWaalsContact CD-CE 3.42Å; E310-K316 HydrophobicContact CG-CG 4.15Å; E310-K316 VanDerWaalsContact O-CG 3.31Å; E310-K316 WeakPolarHBondContact O-CG 3.4Å; E310-K316 WeakPolarHBondContact OE1-CE 3.31Å; E310-K316 IonicContact OE1-NZ 2.62Å; E310-K316 PolarHBondContact OE1-NZ 3.45Å; E310-K316 VanDerWaalsContact OE1-NZ 3.14Å
311	A	98.1	Very high	97.2	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-20.5	179.8	0	0	0	0	0	113	L307 A308 T313 C318 I319 A320 L407	L307-A311 VanDerWaalsContact O-CB 3.24Å; L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 3.44Å; A308-A311 PolarHBondContact O-N 3.14Å; A311-T313 VanDerWaalsContact C-N 3.29Å; A311-C318 CarbonylContact O-C 3.51Å; A311-C318 VanDerWaalsContact O-C 3.24Å; A311-C318 WeakPolarHBondContact O-CA 3.27Å; A311-I319 HydrophobicContact CB-CG2 3.79Å; A311-I319 PolarHBondContact O-N 3Å; A311-I319 VanDerWaalsContact O-N 3.07Å; A311-A320 HydrophobicContact CB-CB 3.52Å; A311-A320 PolarHBondContact O-N 3.28Å; A311-L407 HydrophobicContact CB-CD2 3.51Å
312	L	97.8	Very high	97.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.5	170	-68.6	175.5	0	0	0	113.8	R190 V192 E252 C254 A308 E310 A320	R190-L312 HydrophobicContact CB-CB 4.47Å; R190-L312 HydrophobicContact CB-CD1 4.22Å; R190-L312 HydrophobicContact CG-CB 3.93Å; V192-L312 HydrophobicContact CG2-CD1 3.81Å; E252-L312 HydrophobicContact CB-CD2 3.83Å; C254-L312 HydrophobicContact CB-CD1 3.84Å; C254-L312 HydrophobicContact CB-CD2 3.96Å; C254-L312 HydrophobicContact CB-CG 4.02Å; A308-L312 WeakPolarHBondContact O-CG 3.45Å; A308-L312 PolarHBondContact O-N 2.94Å; A308-L312 VanDerWaalsContact O-N 3.13Å; E310-L312 PolarHBondContact O-N 2.87Å; L312-A320 HydrophobicContact CD2-CB 4.08Å; L312-A320 HydrophobicContact CG-CB 4.31Å
313	T	95.9	Very high	97.2	Very high	35 Å²	35	42.6 Å²	42.6	22%	0.215	23%	0.228	C	C	.	.	S	Bend	trans	-80.8	151.4	177.5	69.5	0	0	0	0	111.6	E310 A311 K315 K316 G317 C318	E310-T313 VanDerWaalsContact O-CB 3.26Å; E310-T313 WeakPolarHBondContact O-CB 3.49Å; E310-T313 VanDerWaalsContact O-CG2 3.31Å; E310-T313 WeakPolarHBondContact O-CG2 3.18Å; E310-T313 PolarHBondContact O-N 2.96Å; E310-T313 PolarHBondContact O-OG1 2.83Å; A311-T313 VanDerWaalsContact C-N 3.29Å; T313-K315 PolarHBondContact O-N 3.22Å; T313-K316 CarbonylContact O-C 3.46Å; T313-K316 PolarHBondContact O-N 2.7Å; T313-K316 PolarHBondContact OG1-N 2.99Å; T313-G317 PolarHBondContact O-N 2.97Å; T313-C318 PolarHBondContact O-N 2.95Å
314	K	93.1	Very high	97.2	Very high	193 Å²	193	40.9 Å²	40.9	84%	0.839	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-57.7	-31.8	172.7	-65.8	-176.8	-179.7	177.5	0	112.5	K316 G317	K314-K316 VanDerWaalsContact C-N 3.25Å; K314-K316 PolarHBondContact O-N 2.8Å; K314-G317 PolarHBondContact O-N 2.91Å
315	K	93	Very high	97.2	Very high	144 Å²	144	40.9 Å²	40.9	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.7	-35.9	176	-174.5	-175.5	176.8	-164.9	0	111.9	D80 T313 G317	D80-K315 IonicContact OD2-NZ 2.95Å; D80-K315 PolarHBondContact OD2-NZ 3.33Å; T313-K315 PolarHBondContact O-N 3.22Å; K315-G317 VanDerWaalsContact C-N 3.32Å
316	K	94.4	Very high	97.2	Very high	99 Å²	99	41 Å²	41	43%	0.43	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-93	13	175.5	-63.7	-69.1	-173.7	166.2	0	113.1	E310 T313 K314 C318 I319	E310-K316 VanDerWaalsContact CD-CE 3.42Å; E310-K316 HydrophobicContact CG-CG 4.15Å; E310-K316 VanDerWaalsContact O-CG 3.31Å; E310-K316 WeakPolarHBondContact O-CG 3.4Å; E310-K316 WeakPolarHBondContact OE1-CE 3.31Å; E310-K316 IonicContact OE1-NZ 2.62Å; E310-K316 PolarHBondContact OE1-NZ 3.45Å; E310-K316 VanDerWaalsContact OE1-NZ 3.14Å; T313-K316 CarbonylContact O-C 3.46Å; T313-K316 PolarHBondContact O-N 2.7Å; T313-K316 PolarHBondContact OG1-N 2.99Å; K314-K316 VanDerWaalsContact C-N 3.25Å; K314-K316 PolarHBondContact O-N 2.8Å; K316-C318 PolarHBondContact O-N 3.37Å; K316-I319 PolarHBondContact O-N 2.91Å
317	G	95	Very high	97.2	Very high	62 Å²	62	40.1 Å²	40.1	64%	0.639	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	18.2	-178.8	0	0	0	0	0	114.4	T313 K314 K315 I319	T313-G317 PolarHBondContact O-N 2.97Å; K314-G317 PolarHBondContact O-N 2.91Å; K315-G317 VanDerWaalsContact C-N 3.32Å; G317-I319 PolarHBondContact O-N 3.21Å
318	C	96.3	Very high	97.2	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.155	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.4	-174.4	-57.3	0	0	0	0	113.2	A311 T313 K316 A320 S321	A311-C318 CarbonylContact O-C 3.51Å; A311-C318 VanDerWaalsContact O-C 3.24Å; A311-C318 WeakPolarHBondContact O-CA 3.27Å; T313-C318 PolarHBondContact O-N 2.95Å; K316-C318 PolarHBondContact O-N 3.37Å; C318-A320 PolarHBondContact O-N 3.35Å; C318-A320 VanDerWaalsContact O-N 3.09Å; C318-S321 WeakPolarHBondContact O-CB 3.35Å; C318-S321 PolarHBondContact O-N 2.83Å
319	I	98.1	Very high	97.1	Very high	79 Å²	79	39.3 Å²	39.3	41%	0.405	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.9	-174.3	-167.5	167.9	0	0	0	113.3	A311 K316 G317 S321 Q323 E406	A311-I319 HydrophobicContact CB-CG2 3.79Å; A311-I319 PolarHBondContact O-N 3Å; A311-I319 VanDerWaalsContact O-N 3.07Å; K316-I319 PolarHBondContact O-N 2.91Å; G317-I319 PolarHBondContact O-N 3.21Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.07Å; I319-Q323 WeakPolarHBondContact O-CG 3.23Å; I319-E406 HydrophobicContact CD1-CB 4.06Å; I319-E406 HydrophobicContact CD1-CG 4.1Å; I319-E406 HydrophobicContact CG1-CB 4.21Å; I319-E406 HydrophobicContact CG1-CG 4.3Å; I319-E406 WeakPolarHBondContact CG2-O 3.2Å
320	A	98.1	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.5	178	0	0	0	0	0	114.8	T253 C254 A311 L312 C318 G322 Q323 Y325 L407	T253-A320 VanDerWaalsContact O-O 3.14Å; C254-A320 HydrophobicContact CB-CB 4.17Å; A311-A320 HydrophobicContact CB-CB 3.52Å; A311-A320 PolarHBondContact O-N 3.28Å; L312-A320 HydrophobicContact CD2-CB 4.08Å; L312-A320 HydrophobicContact CG-CB 4.31Å; C318-A320 PolarHBondContact O-N 3.35Å; C318-A320 VanDerWaalsContact O-N 3.09Å; A320-G322 PolarHBondContact O-N 3.27Å; A320-Q323 WeakPolarHBondContact O-CB 3.4Å; A320-Q323 PolarHBondContact O-N 3.19Å; A320-Q323 VanDerWaalsContact O-N 3.13Å; A320-Y325 WeakPolarHBondContact CA-OH 3.45Å; A320-Y325 HydrophobicContact CB-CE2 4.04Å; A320-L407 HydrophobicContact CB-CD2 3.87Å
321	S	98.5	Very high	96.8	Very high	26 Å²	26	43.4 Å²	43.4	18%	0.182	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	123.8	-178.8	176.7	0	0	0	0	111.9	N241 E252 C318 I319 Q323	N241-S321 PolarHBondContact ND2-OG 2.89Å; N241-S321 PolarHBondContact OD1-OG 3.3Å; N241-S321 VanDerWaalsContact OD1-OG 3.12Å; E252-S321 WeakPolarHBondContact OE2-CB 3.36Å; E252-S321 PolarHBondContact OE2-OG 3.47Å; C318-S321 WeakPolarHBondContact O-CB 3.35Å; C318-S321 PolarHBondContact O-N 2.83Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.07Å; S321-Q323 PolarHBondContact O-N 3.5Å; S321-Q323 PolarHBondContact O-NE2 3.37Å
322	G	98.4	Very high	96.5	Very high	25 Å²	25	44.6 Å²	44.6	26%	0.258	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	14	-178.9	0	0	0	0	0	113.4	N241 T253 A320	N241-G322 VanDerWaalsContact CG-CA 3.44Å; N241-G322 VanDerWaalsContact CG-N 3.3Å; N241-G322 PolarHBondContact ND2-N 3.45Å; N241-G322 PolarHBondContact OD1-N 2.95Å; T253-G322 PolarHBondContact O-N 2.85Å; A320-G322 PolarHBondContact O-N 3.27Å
323	Q	98.6	Very high	96.2	Very high	64 Å²	64	46.1 Å²	46.1	30%	0.299	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	152.1	-176.3	-60	-51.1	-50.6	0	0	112.4	V255 I319 A320 S321 Y325	V255-Q323 PolarHBondContact N-O 2.85Å; I319-Q323 WeakPolarHBondContact O-CG 3.23Å; A320-Q323 WeakPolarHBondContact O-CB 3.4Å; A320-Q323 PolarHBondContact O-N 3.19Å; A320-Q323 VanDerWaalsContact O-N 3.13Å; S321-Q323 PolarHBondContact O-N 3.5Å; S321-Q323 PolarHBondContact O-NE2 3.37Å; Q323-Y325 HydrophobicContact CB-CD2 4.42Å; Q323-Y325 HydrophobicContact CB-CE1 4.47Å; Q323-Y325 HydrophobicContact CB-CE2 3.5Å; Q323-Y325 VanDerWaalsContact CB-OH 3.31Å; Q323-Y325 WeakPolarHBondContact CB-OH 3.26Å; Q323-Y325 WeakPolarHBondContact CG-OH 3.49Å
324	V	98.7	Very high	96	Very high	16 Å²	16	45.1 Å²	45.1	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146	169.3	-174	0	0	0	0	108.5	E211 L238 V255 R257 K402	E211-V324 WeakPolarHBondContact CG-O 3.24Å; L238-V324 HydrophobicContact CD1-CG2 3.64Å; L238-V324 HydrophobicContact CD2-CG2 3.76Å; L238-V324 HydrophobicContact CG-CG2 4.27Å; V255-V324 HydrophobicContact CB-CB 4.44Å; V255-V324 HydrophobicContact CB-CG1 4.33Å; V255-V324 HydrophobicContact CB-CG2 4.07Å; V255-V324 HydrophobicContact CG1-CG1 4Å; V255-V324 HydrophobicContact CG1-CG2 4.34Å; V255-V324 CarbonylContact O-C 3.57Å; V255-V324 WeakPolarHBondContact O-CA 3.41Å; R257-V324 HydrophobicContact CG-CG1 3.9Å; V324-K402 PolarHBondContact O-NZ 2.95Å
325	Y	98.8	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.1	175.4	-56.4	-83.5	0	0	0	112.4	E211 V255 L256 R257 A320 Q323 K402 A403 E406 L407	E211-Y325 VanDerWaalsContact OE1-CA 3.28Å; E211-Y325 WeakPolarHBondContact OE1-CA 3.41Å; V255-Y325 PolarHBondContact O-N 2.62Å; L256-Y325 HydrophobicContact CD2-CD2 3.9Å; L256-Y325 HydrophobicContact CD2-CG 4.32Å; R257-Y325 PolarHBondContact N-O 2.66Å; A320-Y325 WeakPolarHBondContact CA-OH 3.45Å; A320-Y325 HydrophobicContact CB-CE2 4.04Å; Q323-Y325 HydrophobicContact CB-CD2 4.42Å; Q323-Y325 HydrophobicContact CB-CE1 4.47Å; Q323-Y325 HydrophobicContact CB-CE2 3.5Å; Q323-Y325 VanDerWaalsContact CB-OH 3.31Å; Q323-Y325 WeakPolarHBondContact CB-OH 3.26Å; Q323-Y325 WeakPolarHBondContact CG-OH 3.49Å; Y325-K402 HydrophobicContact CD1-CB 4.33Å; Y325-K402 HydrophobicContact CD1-CD 3.92Å; Y325-K402 HydrophobicContact CD1-CG 3.97Å; Y325-K402 HydrophobicContact CE1-CD 3.88Å; Y325-K402 HydrophobicContact CE1-CG 3.82Å; Y325-A403 HydrophobicContact CD1-CB 4.14Å; Y325-E406 HydrophobicContact CE1-CB 3.92Å; Y325-E406 HydrophobicContact CE1-CG 4.46Å; Y325-E406 WeakPolarHBondContact CE1-OE2 3.49Å; Y325-E406 VanDerWaalsContact CZ-OE2 3.23Å; Y325-E406 PolarHBondContact OH-OE2 3.45Å; Y325-L407 HydrophobicContact CD1-CD1 4.21Å; Y325-L407 HydrophobicContact CD1-CG 4.31Å; Y325-L407 HydrophobicContact CD2-CD1 3.87Å; Y325-L407 HydrophobicContact CD2-CD2 4.48Å; Y325-L407 HydrophobicContact CD2-CG 4.42Å; Y325-L407 HydrophobicContact CE1-CD1 4.42Å; Y325-L407 HydrophobicContact CE1-CD2 4.34Å; Y325-L407 HydrophobicContact CE1-CG 4.09Å; Y325-L407 HydrophobicContact CE2-CD1 4.1Å; Y325-L407 HydrophobicContact CE2-CD2 3.88Å; Y325-L407 HydrophobicContact CE2-CG 4.2Å; Y325-L407 HydrophobicContact CG-CD1 3.91Å; Y325-L407 HydrophobicContact CG-CG 4.45Å
326	F	98.7	Very high	95.5	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.1	162.8	-70.3	-66.5	0	0	0	110.6	I197 V200 D210 E211 R257 F398 I400	I197-F326 HydrophobicContact CG2-CD1 3.96Å; I197-F326 HydrophobicContact CG2-CE1 4.15Å; V200-F326 HydrophobicContact CG2-CE1 3.82Å; V200-F326 HydrophobicContact CG2-CZ 3.86Å; D210-F326 VanDerWaalsContact C-CE2 3.48Å; E211-F326 HydrophobicContact CG-CD2 3.97Å; E211-F326 HydrophobicContact CG-CE2 4.08Å; E211-F326 WeakPolarHBondContact OE1-CD2 3.39Å; E211-F326 PolarHBondContact OE1-N 3.42Å; R257-F326 HydrophobicContact CB-CD1 3.8Å; R257-F326 HydrophobicContact CB-CE1 4.08Å; F326-F398 HydrophobicContact CB-CB 4.04Å; F326-F398 HydrophobicContact CD1-CB 4Å; F326-F398 AromaticContact CD1-CD1 3.81Å; F326-F398 HydrophobicContact CD1-CD1 3.81Å; F326-F398 HydrophobicContact CD1-CE1 4.45Å; F326-F398 AromaticContact CD1-CG 3.88Å; F326-F398 HydrophobicContact CD1-CG 3.88Å; F326-F398 HydrophobicContact CD2-CB 4.18Å; F326-F398 HydrophobicContact CD2-CD1 4.16Å; F326-F398 AromaticContact CE1-CD1 3.46Å; F326-F398 HydrophobicContact CE1-CD1 3.46Å; F326-F398 VanDerWaalsContact CE1-CD1 3.46Å; F326-F398 AromaticContact CE1-CE1 3.73Å; F326-F398 HydrophobicContact CE1-CE1 3.73Å; F326-F398 AromaticContact CE1-CG 3.99Å; F326-F398 HydrophobicContact CE1-CG 3.99Å; F326-F398 HydrophobicContact CE1-CZ 4.47Å; F326-F398 AromaticContact CE2-CD1 3.84Å; F326-F398 HydrophobicContact CE2-CD1 3.84Å; F326-F398 HydrophobicContact CG-CB 3.81Å; F326-F398 HydrophobicContact CG-CD1 4.14Å; F326-F398 HydrophobicContact CG-CG 4.17Å; F326-F398 AromaticContact CZ-CD1 3.48Å; F326-F398 HydrophobicContact CZ-CD1 3.48Å; F326-F398 VanDerWaalsContact CZ-CD1 3.48Å; F326-F398 AromaticContact CZ-CE1 3.77Å; F326-F398 HydrophobicContact CZ-CE1 3.77Å; F326-F398 HydrophobicContact CZ-CG 4.37Å; F326-I400 WeakPolarHBondContact O-CG2 3.28Å
327	I	98.6	Very high	95.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.7	-179	-56.6	-60.5	0	0	0	110	L256 R257 P258 C259 V296 L301 A304 A403 Y409	L256-I327 HydrophobicContact CB-CG1 4.11Å; L256-I327 HydrophobicContact CD2-CD1 4.1Å; L256-I327 HydrophobicContact CD2-CG1 3.99Å; L256-I327 HydrophobicContact CG-CG1 4.45Å; R257-I327 PolarHBondContact O-N 3.17Å; R257-I327 VanDerWaalsContact O-N 3.14Å; P258-I327 WeakPolarHBondContact CA-O 3.39Å; C259-I327 PolarHBondContact N-O 3.36Å; V296-I327 HydrophobicContact CG2-CG2 4.06Å; L301-I327 HydrophobicContact CD1-CB 4.39Å; L301-I327 HydrophobicContact CD1-CG2 3.88Å; A304-I327 HydrophobicContact CB-CB 4.46Å; A304-I327 HydrophobicContact CB-CD1 3.77Å; A304-I327 HydrophobicContact CB-CG1 3.99Å; A304-I327 HydrophobicContact CB-CG2 3.6Å; I327-A403 HydrophobicContact CD1-CB 3.94Å; I327-Y409 HydrophobicContact CD1-CD1 4.31Å; I327-Y409 HydrophobicContact CD1-CE1 4.41Å; I327-Y409 HydrophobicContact CG2-CE1 4.15Å; I327-Y409 HydrophobicContact CG2-CE2 4.4Å
328	N	97.8	Very high	95	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.171	C	C	.	.			trans	-152.7	177.7	173.3	64.4	57.7	0	0	0	111.6	C259 N294 G330 F398 I400 Y409	C259-N328 WeakPolarHBondContact SG-CB 3.18Å; N294-N328 HydrophobicContact CB-CB 3.7Å; N294-N328 PolarHBondContact OD1-ND2 3.33Å; N328-G330 PolarHBondContact O-N 3.05Å; N328-G330 WeakPolarHBondContact OD1-CA 3.33Å; N328-G330 PolarHBondContact OD1-N 3.43Å; N328-F398 PolarHBondContact ND2-O 3.1Å; N328-I400 HydrophobicContact CB-CG2 4.44Å; N328-I400 VanDerWaalsContact CG-CG2 3.43Å; N328-I400 WeakPolarHBondContact ND2-CG2 3Å; N328-I400 WeakPolarHBondContact OD1-CG2 3.44Å; N328-Y409 VanDerWaalsContact O-CE1 3.26Å; N328-Y409 WeakPolarHBondContact O-CE1 3.32Å; N328-Y409 PolarHBondContact O-OH 3.24Å
329	D	97.1	Very high	94.6	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.059	16%	0.164	C	C	.	.			trans	-77.9	3.3	-178.6	-68.1	-12.9	0	0	0	114	Y262 W295 V296 H297 N300 L331 P411	Y262-D329 WeakPolarHBondContact CE1-OD2 3.34Å; Y262-D329 VanDerWaalsContact CZ-OD2 3.28Å; Y262-D329 PolarHBondContact OH-OD2 3.43Å; W295-D329 PolarHBondContact O-N 3.25Å; V296-D329 WeakPolarHBondContact CA-OD1 3.23Å; H297-D329 PolarHBondContact N-OD1 2.97Å; H297-D329 PolarHBondContact N-OD2 3.09Å; H297-D329 VanDerWaalsContact N-OD2 3.13Å; N300-D329 PolarHBondContact ND2-OD1 2.52Å; D329-L331 PolarHBondContact O-N 2.79Å; D329-P411 WeakPolarHBondContact O-CG 3.28Å
330	G	94.6	Very high	94.1	Very high	35 Å²	35	26 Å²	26	36%	0.361	15%	0.15	S	C	.	.	S	Bend	trans	75.5	9.2	-175	0	0	0	0	0	114	N328	N328-G330 PolarHBondContact O-N 3.05Å; N328-G330 WeakPolarHBondContact OD1-CA 3.33Å; N328-G330 PolarHBondContact OD1-N 3.43Å
331	L	92.8	Very high	93.6	Very high	86 Å²	86	27.2 Å²	27.2	45%	0.45	16%	0.158	S	C	.	.			trans	-115.1	134.3	177.8	-60	178.7	0	0	0	110.5	N294 D329 V333 L413	N294-L331 PolarHBondContact ND2-O 3.49Å; D329-L331 PolarHBondContact O-N 2.79Å; L331-V333 HydrophobicContact CB-CG2 4.17Å; L331-L413 HydrophobicContact CD1-CD2 3.99Å
332	S	92.9	Very high	93.1	Very high	30 Å²	30	26 Å²	26	21%	0.21	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.4	169.3	-59.8	0	0	0	0	107	R292 N294 T397	R292-S332 PolarHBondContact NE-O 3.47Å; R292-S332 PolarHBondContact NH2-O 3.02Å; N294-S332 PolarHBondContact ND2-OG 2.65Å; S332-T397 WeakPolarHBondContact OG-CG2 3.5Å
333	V	91.9	Very high	92.5	Very high	35 Å²	35	25 Å²	25	21%	0.212	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.9	-174.5	-168.4	0	0	0	0	109.7	M293 L331 E337 W338	M293-V333 PolarHBondContact N-O 3.48Å; M293-V333 PolarHBondContact O-N 3.49Å; L331-V333 HydrophobicContact CB-CG2 4.17Å; V333-E337 HydrophobicContact CG1-CB 4.07Å; V333-W338 HydrophobicContact CB-CB 4.34Å; V333-W338 HydrophobicContact CG1-CB 4Å
334	N	91.6	Very high	92	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.07	15%	0.15	C	C	.	.			trans	-68.3	143.6	170.2	178.6	-91.4	0	0	0	110.7	P289 A291 F336 E337 W338	P289-N334 PolarHBondContact O-ND2 3.34Å; A291-N334 VanDerWaalsContact O-CA 3.32Å; A291-N334 WeakPolarHBondContact O-CA 3.31Å; A291-N334 PolarHBondContact O-ND2 2.81Å; N334-F336 PolarHBondContact O-N 2.74Å; N334-F336 PolarHBondContact OD1-N 3.34Å; N334-E337 HydrophobicContact CB-CB 4.15Å; N334-E337 HydrophobicContact CB-CG 3.99Å; N334-E337 PolarHBondContact O-N 2.75Å; N334-E337 PolarHBondContact OD1-N 3.3Å; N334-W338 VanDerWaalsContact O-CB 3.3Å; N334-W338 WeakPolarHBondContact O-CB 3.39Å; N334-W338 PolarHBondContact O-N 3.17Å
335	L	88.8	Confident	91.5	Very high	12 Å²	12	31 Å²	31	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-55.2	-49	-178.7	174.8	67.8	0	0	0	112.7	M293 W295 E337 W338 L339 I392	M293-L335 HydrophobicContact CE-CB 3.73Å; M293-L335 HydrophobicContact SD-CB 3.88Å; M293-L335 HydrophobicContact SD-CD1 4.19Å; W295-L335 HydrophobicContact CH2-CD1 4.07Å; W295-L335 HydrophobicContact CZ2-CD1 3.59Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 PolarHBondContact O-N 2.76Å; L335-W338 HydrophobicContact CD1-CE3 4.22Å; L335-W338 PolarHBondContact O-N 2.94Å; L335-L339 HydrophobicContact CD1-CD1 3.94Å; L335-L339 HydrophobicContact CD1-CG 4.08Å; L335-L339 HydrophobicContact CG-CD1 3.97Å; L335-L339 HydrophobicContact CG-CG 4.4Å; L335-L339 WeakPolarHBondContact O-CB 3.22Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.88Å; L335-I392 HydrophobicContact CD2-CB 4.22Å; L335-I392 HydrophobicContact CD2-CD1 3.81Å; L335-I392 HydrophobicContact CD2-CG1 3.8Å; L335-I392 HydrophobicContact CD2-CG2 3.42Å; L335-I392 VanDerWaalsContact CD2-CG2 3.42Å
336	F	86.1	Confident	90.7	Very high	24 Å²	24	32 Å²	32	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-73.7	-28.4	-173.7	-62.7	-76.1	0	0	0	111.8	F282 R285 F286 N334 T340 P351	F282-F336 HydrophobicContact CE1-CE1 4.3Å; F282-F336 AromaticContact CZ-CE1 3.79Å; F282-F336 HydrophobicContact CZ-CE1 3.79Å; R285-F336 VanDerWaalsContact CA-CZ 3.42Å; R285-F336 HydrophobicContact CB-CD1 4.47Å; R285-F336 HydrophobicContact CB-CD2 4.21Å; R285-F336 HydrophobicContact CB-CE1 4.13Å; R285-F336 HydrophobicContact CB-CE2 3.87Å; R285-F336 HydrophobicContact CB-CZ 3.85Å; R285-F336 HydrophobicContact CG-CD1 3.7Å; R285-F336 HydrophobicContact CG-CD2 3.98Å; R285-F336 HydrophobicContact CG-CE1 3.78Å; R285-F336 HydrophobicContact CG-CE2 4.07Å; R285-F336 HydrophobicContact CG-CG 3.82Å; R285-F336 HydrophobicContact CG-CZ 3.99Å; F286-F336 HydrophobicContact CD1-CZ 4.47Å; N334-F336 PolarHBondContact O-N 2.74Å; N334-F336 PolarHBondContact OD1-N 3.34Å; F336-T340 PolarHBondContact O-OG1 2.76Å; F336-P351 HydrophobicContact CD1-CG 4.47Å
337	E	88.2	Confident	90	Very high	108 Å²	108	35.2 Å²	35.2	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-67.6	-47	167.8	-67	-179.5	166.3	0	0	110.9	V333 N334 L335 L339 T340	V333-E337 HydrophobicContact CG1-CB 4.07Å; N334-E337 HydrophobicContact CB-CB 4.15Å; N334-E337 HydrophobicContact CB-CG 3.99Å; N334-E337 PolarHBondContact O-N 2.75Å; N334-E337 PolarHBondContact OD1-N 3.3Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 PolarHBondContact O-N 2.76Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.08Å; E337-T340 WeakPolarHBondContact O-CB 3.43Å; E337-T340 PolarHBondContact O-N 2.62Å; E337-T340 PolarHBondContact O-OG1 2.97Å
338	W	90.1	Very high	89.3	Confident	33 Å²	33	38.8 Å²	38.8	13%	0.125	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-35	179	179.1	80.6	0	0	0	112.7	Y262 W295 V333 N334 L335 T340 P341 L416	Y262-W338 AromaticContact CD1-CZ2 3.89Å; Y262-W338 HydrophobicContact CD1-CZ2 3.89Å; Y262-W338 HydrophobicContact CD2-CZ2 4.13Å; Y262-W338 HydrophobicContact CG-CH2 4.47Å; Y262-W338 AromaticContact CG-CZ2 3.67Å; Y262-W338 HydrophobicContact CG-CZ2 3.67Å; W295-W338 HydrophobicContact CB-CZ2 4.42Å; W295-W338 AromaticContact CD1-CD1 3.71Å; W295-W338 AromaticContact CD1-CD2 3.95Å; W295-W338 AromaticContact CD1-CE2 3.88Å; W295-W338 AromaticContact CD1-CG 3.85Å; W295-W338 AromaticContact CD1-NE1 3.71Å; W295-W338 HydrophobicContact CD2-CD2 4.04Å; W295-W338 AromaticContact CD2-CE2 3.77Å; W295-W338 HydrophobicContact CD2-CE3 4.25Å; W295-W338 AromaticContact CD2-CH2 3.98Å; W295-W338 HydrophobicContact CD2-CH2 3.98Å; W295-W338 AromaticContact CD2-CZ2 3.75Å; W295-W338 HydrophobicContact CD2-CZ2 3.75Å; W295-W338 HydrophobicContact CD2-CZ3 4.22Å; W295-W338 AromaticContact CE2-CD2 3.74Å; W295-W338 AromaticContact CE2-CE2 3.99Å; W295-W338 AromaticContact CE2-CE3 3.75Å; W295-W338 AromaticContact CE3-CH2 3.74Å; W295-W338 HydrophobicContact CE3-CH2 3.74Å; W295-W338 AromaticContact CE3-CZ2 3.83Å; W295-W338 HydrophobicContact CE3-CZ2 3.83Å; W295-W338 HydrophobicContact CE3-CZ3 4.18Å; W295-W338 HydrophobicContact CG-CD2 4.17Å; W295-W338 AromaticContact CG-CE2 3.72Å; W295-W338 HydrophobicContact CG-CG 4.46Å; W295-W338 HydrophobicContact CG-CZ2 4.01Å; W295-W338 AromaticContact CG-NE1 3.74Å; W295-W338 HydrophobicContact CH2-CE3 4.24Å; W295-W338 HydrophobicContact CH2-CH2 4.17Å; W295-W338 AromaticContact CH2-CZ3 3.82Å; W295-W338 HydrophobicContact CH2-CZ3 3.82Å; W295-W338 HydrophobicContact CZ2-CD2 4.23Å; W295-W338 AromaticContact CZ2-CE3 3.75Å; W295-W338 HydrophobicContact CZ2-CE3 3.75Å; W295-W338 HydrophobicContact CZ2-CH2 4.36Å; W295-W338 AromaticContact CZ2-CZ3 3.82Å; W295-W338 HydrophobicContact CZ2-CZ3 3.82Å; W295-W338 AromaticContact CZ3-CH2 3.85Å; W295-W338 HydrophobicContact CZ3-CH2 3.85Å; W295-W338 HydrophobicContact CZ3-CZ2 4.41Å; W295-W338 AromaticContact CZ3-CZ3 4Å; W295-W338 HydrophobicContact CZ3-CZ3 4Å; W295-W338 AromaticContact NE1-CD2 3.65Å; W295-W338 AromaticContact NE1-CG 3.69Å; V333-W338 HydrophobicContact CB-CB 4.34Å; V333-W338 HydrophobicContact CG1-CB 4Å; N334-W338 VanDerWaalsContact O-CB 3.3Å; N334-W338 WeakPolarHBondContact O-CB 3.39Å; N334-W338 PolarHBondContact O-N 3.17Å; L335-W338 HydrophobicContact CD1-CE3 4.22Å; L335-W338 PolarHBondContact O-N 2.94Å; W338-T340 PolarHBondContact O-N 3.33Å; W338-P341 WeakPolarHBondContact O-CD 3.47Å; W338-L416 HydrophobicContact CD2-CD2 4.19Å; W338-L416 HydrophobicContact CE3-CD2 4.04Å; W338-L416 HydrophobicContact CH2-CD1 3.66Å; W338-L416 HydrophobicContact CH2-CD2 4.05Å; W338-L416 HydrophobicContact CH2-CG 4.44Å; W338-L416 HydrophobicContact CZ2-CB 4.48Å; W338-L416 HydrophobicContact CZ2-CD1 3.65Å; W338-L416 HydrophobicContact CZ2-CD2 4.19Å; W338-L416 HydrophobicContact CZ2-CG 4.32Å; W338-L416 HydrophobicContact CZ3-CD1 4.39Å; W338-L416 HydrophobicContact CZ3-CD2 3.96Å; W338-L416 WeakPolarHBondContact O-CD2 3.49Å
339	L	88.9	Confident	88.5	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5	174.3	-70.2	177.3	0	0	0	114.1	V273 F282 L335 E337 P341 L342 F343 L416	V273-L339 HydrophobicContact CG1-CD2 4.26Å; F282-L339 HydrophobicContact CE1-CD1 3.67Å; F282-L339 HydrophobicContact CZ-CD1 4.19Å; L335-L339 HydrophobicContact CD1-CD1 3.94Å; L335-L339 HydrophobicContact CD1-CG 4.08Å; L335-L339 HydrophobicContact CG-CD1 3.97Å; L335-L339 HydrophobicContact CG-CG 4.4Å; L335-L339 WeakPolarHBondContact O-CB 3.22Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.88Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.08Å; L339-P341 VanDerWaalsContact C-CD 3.49Å; L339-L342 HydrophobicContact CD2-CD1 4.38Å; L339-L342 VanDerWaalsContact O-CB 3.29Å; L339-L342 WeakPolarHBondContact O-CB 3.25Å; L339-L342 PolarHBondContact O-N 3.38Å; L339-F343 HydrophobicContact CB-CD2 4.25Å; L339-F343 HydrophobicContact CB-CE2 3.78Å; L339-F343 VanDerWaalsContact O-CD2 3.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.23Å; L339-F343 PolarHBondContact O-N 2.9Å; L339-L416 HydrophobicContact CD2-CD2 3.97Å
340	T	88.1	Confident	87.7	Confident	17 Å²	17	49.8 Å²	49.8	10%	0.104	27%	0.274	C	S	.	.	H	α-helix	trans	-49.4	-49.9	-179.5	-71.1	0	0	0	0	113.9	F336 E337 W338 L342 F343 E344 R350	F336-T340 PolarHBondContact O-OG1 2.76Å; E337-T340 WeakPolarHBondContact O-CB 3.43Å; E337-T340 PolarHBondContact O-N 2.62Å; E337-T340 PolarHBondContact O-OG1 2.97Å; W338-T340 PolarHBondContact O-N 3.33Å; T340-L342 PolarHBondContact O-N 3.03Å; T340-L342 VanDerWaalsContact O-N 3.14Å; T340-F343 PolarHBondContact O-N 3.06Å; T340-F343 VanDerWaalsContact O-N 3.12Å; T340-E344 HydrophobicContact CG2-CG 4.18Å; T340-E344 WeakPolarHBondContact CG2-OE1 3.23Å; T340-E344 PolarHBondContact O-N 2.62Å; T340-R350 VanDerWaalsContact OG1-CZ 3.26Å; T340-R350 PolarHBondContact OG1-NE 3.42Å
341	P	87.8	Confident	87.1	Confident	26 Å²	26	48.6 Å²	48.6	17%	0.169	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-27.5	-178	-23.2	35.8	0	0	0	112.9	W338 L339 K345 L416 A417	W338-P341 WeakPolarHBondContact O-CD 3.47Å; L339-P341 VanDerWaalsContact C-CD 3.49Å; P341-K345 VanDerWaalsContact O-CB 3.3Å; P341-K345 WeakPolarHBondContact O-CB 3.47Å; P341-K345 WeakPolarHBondContact O-CG 3.49Å; P341-K345 PolarHBondContact O-N 3.29Å; P341-L416 HydrophobicContact CG-CB 4.4Å; P341-A417 HydrophobicContact CB-CB 4.25Å
342	L	87.3	Confident	86.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-48.2	176.2	178.1	156.5	0	0	0	111.1	L270 V273 M274 V277 L339 T340 L346 L416 V420	L270-L342 HydrophobicContact CD1-CD1 3.9Å; V273-L342 HydrophobicContact CG1-CD1 4.15Å; M274-L342 HydrophobicContact CE-CD1 4.14Å; M274-L342 HydrophobicContact CG-CD1 3.5Å; M274-L342 VanDerWaalsContact CG-CD1 3.5Å; M274-L342 HydrophobicContact CG-CG 4.22Å; V277-L342 HydrophobicContact CB-CD2 4.05Å; V277-L342 HydrophobicContact CG1-CD2 3.93Å; V277-L342 HydrophobicContact CG2-CD2 3.75Å; L339-L342 HydrophobicContact CD2-CD1 4.38Å; L339-L342 VanDerWaalsContact O-CB 3.29Å; L339-L342 WeakPolarHBondContact O-CB 3.25Å; L339-L342 PolarHBondContact O-N 3.38Å; T340-L342 PolarHBondContact O-N 3.03Å; T340-L342 VanDerWaalsContact O-N 3.14Å; L342-L346 HydrophobicContact CD2-CD1 3.75Å; L342-L346 HydrophobicContact CG-CD1 3.93Å; L342-L346 VanDerWaalsContact O-CB 3.28Å; L342-L346 WeakPolarHBondContact O-CB 3.25Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 3.35Å; L342-L346 PolarHBondContact O-N 3.23Å; L342-L346 VanDerWaalsContact O-N 3.09Å; L342-L416 HydrophobicContact CB-CD2 4.26Å; L342-V420 HydrophobicContact CB-CG2 3.85Å; L342-V420 HydrophobicContact CG-CG2 4.29Å
343	F	86.3	Confident	86	Confident	4 Å²	4	52 Å²	52	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-46.2	178.4	-68.6	-68.7	0	0	0	111.4	V277 F282 L339 T340 L346 G347 Y348 R350 P351	V277-F343 HydrophobicContact CB-CE1 4.4Å; V277-F343 HydrophobicContact CG1-CD1 3.89Å; V277-F343 HydrophobicContact CG1-CE1 3.78Å; V277-F343 HydrophobicContact CG2-CD1 4.46Å; V277-F343 HydrophobicContact CG2-CE1 3.64Å; V277-F343 HydrophobicContact CG2-CZ 4.06Å; F282-F343 HydrophobicContact CD1-CZ 4.05Å; F282-F343 HydrophobicContact CE1-CZ 4.15Å; L339-F343 HydrophobicContact CB-CD2 4.25Å; L339-F343 HydrophobicContact CB-CE2 3.78Å; L339-F343 VanDerWaalsContact O-CD2 3.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.23Å; L339-F343 PolarHBondContact O-N 2.9Å; T340-F343 PolarHBondContact O-N 3.06Å; T340-F343 VanDerWaalsContact O-N 3.12Å; F343-L346 PolarHBondContact O-N 3.4Å; F343-G347 PolarHBondContact O-N 3.14Å; F343-G347 VanDerWaalsContact O-N 3.12Å; F343-Y348 CarbonylContact C-O 3.48Å; F343-Y348 PolarHBondContact O-N 3.23Å; F343-Y348 VanDerWaalsContact O-O 3.05Å; F343-R350 HydrophobicContact CB-CG 4.33Å; F343-R350 HydrophobicContact CD2-CG 4.34Å; F343-R350 HydrophobicContact CG-CG 4.5Å; F343-P351 HydrophobicContact CE1-CG 3.95Å; F343-P351 HydrophobicContact CE2-CG 4.04Å; F343-P351 HydrophobicContact CZ-CG 3.46Å; F343-P351 VanDerWaalsContact CZ-CG 3.46Å
344	E	87.7	Confident	85.7	Confident	119 Å²	119	54.3 Å²	54.3	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-47.5	-177.8	-70.7	173.6	179.9	0	0	112.2	T340 G347 R350	T340-E344 HydrophobicContact CG2-CG 4.18Å; T340-E344 WeakPolarHBondContact CG2-OE1 3.23Å; T340-E344 PolarHBondContact O-N 2.62Å; E344-G347 PolarHBondContact O-N 3.44Å; E344-R350 IonicContact OE1-CZ 2.82Å; E344-R350 IonicContact OE1-NE 3.75Å; E344-R350 IonicContact OE1-NH2 3.95Å; E344-R350 PolarHBondContact OE1-NH2 2.93Å
345	K	87	Confident	85.5	Confident	87 Å²	87	55.7 Å²	55.7	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-72.7	-29	-179.7	-75.4	-177	178.8	-76.4	0	113.9	P341 G347 A417 V420 E421	P341-K345 VanDerWaalsContact O-CB 3.3Å; P341-K345 WeakPolarHBondContact O-CB 3.47Å; P341-K345 WeakPolarHBondContact O-CG 3.49Å; P341-K345 PolarHBondContact O-N 3.29Å; K345-G347 VanDerWaalsContact C-N 3.27Å; K345-A417 HydrophobicContact CD-CB 4.36Å; K345-A417 VanDerWaalsContact CE-CB 3.44Å; K345-V420 HydrophobicContact CB-CB 4.49Å; K345-V420 HydrophobicContact CB-CG1 3.66Å; K345-V420 HydrophobicContact CD-CB 4.04Å; K345-V420 HydrophobicContact CD-CG1 4.05Å; K345-E421 HydrophobicContact CD-CG 4.2Å; K345-E421 WeakPolarHBondContact CE-OE1 3.5Å; K345-E421 IonicContact NZ-OE1 3.21Å; K345-E421 PolarHBondContact NZ-OE1 2.75Å
346	L	83.8	Confident	85.4	Confident	22 Å²	22	58.9 Å²	58.9	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-82	-5.9	174.8	-66.2	178.3	0	0	0	112.8	V277 E278 L342 F343 Y348 V420 Y423 L424	V277-L346 HydrophobicContact CG1-CD1 4.2Å; E278-L346 HydrophobicContact CG-CD1 4.44Å; L342-L346 HydrophobicContact CD2-CD1 3.75Å; L342-L346 HydrophobicContact CG-CD1 3.93Å; L342-L346 VanDerWaalsContact O-CB 3.28Å; L342-L346 WeakPolarHBondContact O-CB 3.25Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 3.35Å; L342-L346 PolarHBondContact O-N 3.23Å; L342-L346 VanDerWaalsContact O-N 3.09Å; F343-L346 PolarHBondContact O-N 3.4Å; L346-Y348 HydrophobicContact CB-CD2 3.55Å; L346-Y348 HydrophobicContact CB-CE2 3.9Å; L346-Y348 VanDerWaalsContact O-CD2 3.29Å; L346-Y348 WeakPolarHBondContact O-CD2 3.36Å; L346-Y348 WeakPolarHBondContact O-CE2 3.33Å; L346-V420 HydrophobicContact CD2-CG1 4.34Å; L346-V420 HydrophobicContact CG-CG1 4.29Å; L346-Y423 HydrophobicContact CD2-CD1 4.42Å; L346-Y423 HydrophobicContact CD2-CE1 4.38Å; L346-L424 HydrophobicContact CD2-CD2 3.83Å; L346-L424 HydrophobicContact CD2-CG 4.41Å
347	G	83.1	Confident	85.4	Confident	69 Å²	69	60.1 Å²	60.1	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	25	180	0	0	0	0	0	114.1	F343 E344 K345	F343-G347 PolarHBondContact O-N 3.14Å; F343-G347 VanDerWaalsContact O-N 3.12Å; E344-G347 PolarHBondContact O-N 3.44Å; K345-G347 VanDerWaalsContact C-N 3.27Å
348	Y	84.1	Confident	85.3	Confident	76 Å²	76	59 Å²	59	30%	0.298	34%	0.338	S	S	.	.			trans	-107.5	149.5	177.1	-65.5	-82.6	0	0	0	111.4	V277 E278 R280 F343 L346	V277-Y348 HydrophobicContact CG1-CD2 3.91Å; V277-Y348 HydrophobicContact CG1-CG 4.15Å; E278-Y348 HydrophobicContact CG-CE2 4.19Å; R280-Y348 HydrophobicContact CG-CE1 4.42Å; F343-Y348 CarbonylContact C-O 3.48Å; F343-Y348 PolarHBondContact O-N 3.23Å; F343-Y348 VanDerWaalsContact O-O 3.05Å; L346-Y348 HydrophobicContact CB-CD2 3.55Å; L346-Y348 HydrophobicContact CB-CE2 3.9Å; L346-Y348 VanDerWaalsContact O-CD2 3.29Å; L346-Y348 WeakPolarHBondContact O-CD2 3.36Å; L346-Y348 WeakPolarHBondContact O-CE2 3.33Å
349	S	80.5	Confident	85.1	Confident	111 Å²	111	59.4 Å²	59.4	78%	0.776	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-73	148.7	172.7	-52.2	0	0	0	0	111.1
350	R	80.9	Confident	84.9	Confident	134 Å²	134	59.7 Å²	59.7	51%	0.506	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-61.7	146.4	174.2	-61.7	-173	-164.4	167.9	8.3	110.6	T340 F343 E344 S352	T340-R350 VanDerWaalsContact OG1-CZ 3.26Å; T340-R350 PolarHBondContact OG1-NE 3.42Å; F343-R350 HydrophobicContact CB-CG 4.33Å; F343-R350 HydrophobicContact CD2-CG 4.34Å; F343-R350 HydrophobicContact CG-CG 4.5Å; E344-R350 IonicContact OE1-CZ 2.82Å; E344-R350 IonicContact OE1-NE 3.75Å; E344-R350 IonicContact OE1-NH2 3.95Å; E344-R350 PolarHBondContact OE1-NH2 2.93Å; R350-S352 PolarHBondContact O-N 3.07Å
351	P	81.8	Confident	84.7	Confident	10 Å²	10	61.4 Å²	61.4	7%	0.065	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-54.4	119.9	174.5	-29.9	38.4	0	0	0	111.9	R285 F336 F343	R285-P351 WeakPolarHBondContact CD-O 3.42Å; R285-P351 HydrophobicContact CG-CB 3.78Å; R285-P351 PolarHBondContact NE-O 3.21Å; F336-P351 HydrophobicContact CD1-CG 4.47Å; F343-P351 HydrophobicContact CE1-CG 3.95Å; F343-P351 HydrophobicContact CE2-CG 4.04Å; F343-P351 HydrophobicContact CZ-CG 3.46Å; F343-P351 VanDerWaalsContact CZ-CG 3.46Å
352	S	78.1	Confident	84.6	Confident	91 Å²	91	62.4 Å²	62.4	64%	0.636	36%	0.357	S	S	*	.			trans	-99.3	-32.3	179.8	58	0	0	0	0	112.8	R285 R350	R285-S352 PolarHBondContact NH2-O 2.87Å; R350-S352 PolarHBondContact O-N 3.07Å
353	I	84.3	Confident	84.3	Confident	97 Å²	97	64.3 Å²	64.3	50%	0.497	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.3	-178.3	-60.7	166.2	0	0	0	109.8	F284 R285 L355	F284-I353 CarbonylContact C-O 3.59Å; F284-I353 VanDerWaalsContact CA-O 3.27Å; F284-I353 WeakPolarHBondContact CA-O 3.23Å; R285-I353 PolarHBondContact N-O 3.17Å; I353-L355 HydrophobicContact CG2-CD2 4.07Å
354	T	85.8	Confident	84.1	Confident	83 Å²	83	64.3 Å²	64.3	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	172.3	-56.5	0	0	0	0	109.6	R285	R285-T354 CarbonylContact O-C 3.58Å; R285-T354 VanDerWaalsContact O-CA 3.31Å; R285-T354 WeakPolarHBondContact O-CA 3.42Å
355	L	86.1	Confident	83.8	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.225	36%	0.36	C	S	.	.			trans	-103.4	145	175.9	-63.6	-176.6	0	0	0	111	F284 R285 F286 I353 L359 V360	F284-L355 HydrophobicContact CB-CD1 3.97Å; F284-L355 HydrophobicContact CB-CG 3.96Å; F284-L355 HydrophobicContact CD1-CD1 4.01Å; F284-L355 HydrophobicContact CD2-CB 4.42Å; F284-L355 HydrophobicContact CD2-CD1 3.59Å; F284-L355 HydrophobicContact CD2-CG 4.09Å; F284-L355 HydrophobicContact CE1-CD1 4.42Å; F284-L355 HydrophobicContact CE2-CD1 4.04Å; F284-L355 HydrophobicContact CG-CD1 3.57Å; F284-L355 HydrophobicContact CG-CG 4.08Å; F284-L355 HydrophobicContact CZ-CD1 4.43Å; R285-L355 PolarHBondContact O-N 3.41Å; F286-L355 WeakPolarHBondContact CB-O 3.38Å; I353-L355 HydrophobicContact CG2-CD2 4.07Å; L355-L359 HydrophobicContact CB-CD2 4.49Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD2-CD2 4.18Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; L355-V360 HydrophobicContact CD1-CG2 4.26Å
356	P	86.8	Confident	83.6	Confident	79 Å²	79	59.8 Å²	59.8	51%	0.513	36%	0.357	S	S	.	.			trans	-59.3	138.6	170.9	-23.1	33.8	0	0	0	111.7	S358 L359 V360	P356-S358 PolarHBondContact O-N 3.32Å; P356-L359 HydrophobicContact CB-CB 4.4Å; P356-L359 WeakPolarHBondContact O-CB 3.43Å; P356-L359 PolarHBondContact O-N 3.26Å; P356-L359 VanDerWaalsContact O-N 3.1Å; P356-V360 PolarHBondContact O-N 2.96Å
357	V	86.3	Confident	83.3	Confident	50 Å²	50	59.7 Å²	59.7	30%	0.303	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-38.4	179.5	175.9	0	0	0	0	111.6	L359 V360 Y361 T393	V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 3.35Å; V357-V360 PolarHBondContact O-N 2.87Å; V357-Y361 VanDerWaalsContact O-CB 3.24Å; V357-Y361 WeakPolarHBondContact O-CB 3.42Å; V357-Y361 PolarHBondContact O-N 2.94Å; V357-T393 HydrophobicContact CG1-CG2 3.91Å; V357-T393 HydrophobicContact CG2-CG2 3.83Å
358	S	85.9	Confident	83	Confident	83 Å²	83	57.3 Å²	57.3	58%	0.58	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-39.9	178	52.2	0	0	0	0	112.8	P356 S362	P356-S358 PolarHBondContact O-N 3.32Å; S358-S362 VanDerWaalsContact O-CB 3.3Å; S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 3.38Å; S358-S362 PolarHBondContact O-OG 2.92Å
359	L	86.3	Confident	82.8	Confident	42 Å²	42	60.6 Å²	60.6	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-49.1	176.9	176	65.2	0	0	0	110.6	L355 P356 V357 Y361 S362 A363 L458 L461	L355-L359 HydrophobicContact CB-CD2 4.49Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD2-CD2 4.18Å; P356-L359 HydrophobicContact CB-CB 4.4Å; P356-L359 WeakPolarHBondContact O-CB 3.43Å; P356-L359 PolarHBondContact O-N 3.26Å; P356-L359 VanDerWaalsContact O-N 3.1Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 3.35Å; L359-Y361 PolarHBondContact O-N 3.47Å; L359-S362 PolarHBondContact O-N 2.62Å; L359-A363 WeakPolarHBondContact O-CB 3.31Å; L359-A363 PolarHBondContact O-N 2.97Å; L359-L458 HydrophobicContact CD1-CD1 4.4Å; L359-L461 HydrophobicContact CD1-CD1 3.27Å
360	V	84.9	Confident	82.6	Confident	10 Å²	10	56.8 Å²	56.8	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-41.4	179.7	-177.6	0	0	0	0	111.1	F284 F286 L355 P356 V357 A363 A364 V389	F284-V360 HydrophobicContact CD2-CG2 4.49Å; F284-V360 HydrophobicContact CE2-CG1 4.36Å; F284-V360 HydrophobicContact CE2-CG2 4.04Å; F286-V360 HydrophobicContact CB-CG2 3.96Å; F286-V360 HydrophobicContact CD1-CG1 4.23Å; F286-V360 HydrophobicContact CD1-CG2 4.26Å; F286-V360 HydrophobicContact CD2-CG1 4.28Å; F286-V360 HydrophobicContact CE1-CG1 4.21Å; F286-V360 HydrophobicContact CE2-CG1 4.27Å; F286-V360 HydrophobicContact CG-CB 4.43Å; F286-V360 HydrophobicContact CG-CG1 4.26Å; F286-V360 HydrophobicContact CG-CG2 4.03Å; F286-V360 HydrophobicContact CZ-CG1 4.23Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; L355-V360 HydrophobicContact CD1-CG2 4.26Å; P356-V360 PolarHBondContact O-N 2.96Å; V357-V360 PolarHBondContact O-N 2.87Å; V360-A363 PolarHBondContact O-N 3.24Å; V360-A364 PolarHBondContact O-N 3.18Å; V360-V389 HydrophobicContact CG1-CG1 4.13Å; V360-V389 HydrophobicContact CG1-CG2 3.86Å
361	Y	85.1	Confident	82.3	Confident	53 Å²	53	51.3 Å²	51.3	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-40.7	178	-170.8	-97	0	0	0	112.4	V357 L359 A364 I365 R386 V389 R390	V357-Y361 VanDerWaalsContact O-CB 3.24Å; V357-Y361 WeakPolarHBondContact O-CB 3.42Å; V357-Y361 PolarHBondContact O-N 2.94Å; L359-Y361 PolarHBondContact O-N 3.47Å; Y361-A364 PolarHBondContact O-N 3.01Å; Y361-I365 HydrophobicContact CD1-CD1 3.72Å; Y361-I365 HydrophobicContact CD1-CG1 4.45Å; Y361-I365 HydrophobicContact CE1-CD1 3.56Å; Y361-I365 HydrophobicContact CE1-CG1 4.25Å; Y361-I365 WeakPolarHBondContact O-CG1 3.44Å; Y361-I365 PolarHBondContact O-N 3.39Å; Y361-R386 HydrophobicContact CD2-CG 4.49Å; Y361-R386 HydrophobicContact CE2-CB 3.85Å; Y361-R386 HydrophobicContact CE2-CG 3.93Å; Y361-V389 HydrophobicContact CD2-CB 4.38Å; Y361-V389 HydrophobicContact CD2-CG1 4.19Å; Y361-R390 HydrophobicContact CD2-CG 4.43Å; Y361-R390 HydrophobicContact CE2-CG 4.01Å; Y361-R390 PolarHBondContact OH-NH2 3.32Å
362	S	84.2	Confident	81.9	Confident	47 Å²	47	54.4 Å²	54.4	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.6	-57.2	0	0	0	0	111.6	S358 L359 A364 I365 L366	S358-S362 VanDerWaalsContact O-CB 3.3Å; S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 3.38Å; S358-S362 PolarHBondContact O-OG 2.92Å; L359-S362 PolarHBondContact O-N 2.62Å; S362-A364 VanDerWaalsContact C-N 3.35Å; S362-I365 WeakPolarHBondContact O-CB 3.37Å; S362-I365 PolarHBondContact O-N 2.88Å; S362-L366 PolarHBondContact O-N 2.77Å
363	A	82.5	Confident	81.9	Confident	40 Å²	40	55.6 Å²	55.6	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-42.3	172.8	0	0	0	0	0	111.5	L359 V360 I365 L366 V367	L359-A363 WeakPolarHBondContact O-CB 3.31Å; L359-A363 PolarHBondContact O-N 2.97Å; V360-A363 PolarHBondContact O-N 3.24Å; A363-I365 PolarHBondContact O-N 3.49Å; A363-L366 PolarHBondContact O-N 2.82Å; A363-V367 VanDerWaalsContact O-CG2 3.26Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 3.18Å
364	A	81	Confident	81.5	Confident	5 Å²	5	53.7 Å²	53.7	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-42.5	175.8	0	0	0	0	0	112.2	V360 Y361 S362 L366 V367 E368 R386 V389	V360-A364 PolarHBondContact O-N 3.18Å; Y361-A364 PolarHBondContact O-N 3.01Å; S362-A364 VanDerWaalsContact C-N 3.35Å; A364-L366 PolarHBondContact O-N 2.94Å; A364-V367 PolarHBondContact O-N 2.83Å; A364-E368 WeakPolarHBondContact O-CB 3.23Å; A364-E368 WeakPolarHBondContact O-CG 3.41Å; A364-E368 PolarHBondContact O-N 2.84Å; A364-R386 HydrophobicContact CB-CG 4.37Å; A364-V389 HydrophobicContact CB-CG2 3.99Å
365	I	82.4	Confident	80.6	Confident	51 Å²	51	52.5 Å²	52.5	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-56.1	-51.4	172.6	-71.8	160	0	0	0	110.6	Y361 S362 A363 V367 E368 Y369 R386	Y361-I365 HydrophobicContact CD1-CD1 3.72Å; Y361-I365 HydrophobicContact CD1-CG1 4.45Å; Y361-I365 HydrophobicContact CE1-CD1 3.56Å; Y361-I365 HydrophobicContact CE1-CG1 4.25Å; Y361-I365 WeakPolarHBondContact O-CG1 3.44Å; Y361-I365 PolarHBondContact O-N 3.39Å; S362-I365 WeakPolarHBondContact O-CB 3.37Å; S362-I365 PolarHBondContact O-N 2.88Å; A363-I365 PolarHBondContact O-N 3.49Å; I365-V367 PolarHBondContact O-N 3.13Å; I365-E368 PolarHBondContact O-N 3.13Å; I365-Y369 HydrophobicContact CG2-CD2 3.65Å; I365-Y369 HydrophobicContact CG2-CE2 3.56Å; I365-Y369 WeakPolarHBondContact O-CD2 3.41Å; I365-Y369 PolarHBondContact O-N 3.46Å; I365-R386 HydrophobicContact CG1-CG 3.93Å
366	L	82	Confident	79.8	Confident	60 Å²	60	55.5 Å²	55.5	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-46.1	-176.9	-179.8	63.2	0	0	0	111.4	S362 A363 A364 Y369 L370	S362-L366 PolarHBondContact O-N 2.77Å; A363-L366 PolarHBondContact O-N 2.82Å; A364-L366 PolarHBondContact O-N 2.94Å; L366-Y369 PolarHBondContact O-N 3.42Å; L366-L370 HydrophobicContact CD1-CD1 3.96Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CD2-CD1 4.42Å; L366-L370 HydrophobicContact CG-CD1 3.76Å; L366-L370 HydrophobicContact CG-CG 4.36Å; L366-L370 WeakPolarHBondContact O-CB 3.14Å; L366-L370 VanDerWaalsContact O-CG 3.25Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.29Å
367	V	77.5	Confident	78.8	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-37.2	179.8	-179.1	0	0	0	0	111	A363 A364 I365 L370 H371 V380 L382	A363-V367 VanDerWaalsContact O-CG2 3.26Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 3.18Å; A364-V367 PolarHBondContact O-N 2.83Å; I365-V367 PolarHBondContact O-N 3.13Å; V367-L370 PolarHBondContact O-N 3.49Å; V367-H371 WeakPolarHBondContact O-CB 3.24Å; V367-H371 PolarHBondContact O-N 3.32Å; V367-V380 HydrophobicContact CG1-CG1 4.41Å; V367-L382 HydrophobicContact CG1-CD2 3.92Å
368	E	76.6	Confident	77.7	Confident	19 Å²	19	59 Å²	59	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-47	172.3	-79.3	178.9	-160.9	0	0	111.7	A364 I365 H371 V372 L382 T385 R386	A364-E368 WeakPolarHBondContact O-CB 3.23Å; A364-E368 WeakPolarHBondContact O-CG 3.41Å; A364-E368 PolarHBondContact O-N 2.84Å; I365-E368 PolarHBondContact O-N 3.13Å; E368-H371 PolarHBondContact O-N 2.91Å; E368-V372 WeakPolarHBondContact O-CG2 3.41Å; E368-V372 PolarHBondContact O-N 3.01Å; E368-L382 HydrophobicContact CG-CD2 4.34Å; E368-T385 WeakPolarHBondContact OE1-CA 3.44Å; E368-T385 WeakPolarHBondContact OE1-CB 3.48Å; E368-R386 PolarHBondContact OE1-N 3.43Å; E368-R386 IonicContact OE1-NE 2.62Å; E368-R386 IonicContact OE2-CZ 3.13Å; E368-R386 IonicContact OE2-NE 2.88Å; E368-R386 PolarHBondContact OE2-NE 2.87Å; E368-R386 IonicContact OE2-NH2 3.33Å; E368-R386 PolarHBondContact OE2-NH2 3.31Å
369	Y	79.8	Confident	76.3	Confident	146 Å²	146	62.6 Å²	62.6	57%	0.573	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-45.9	177.3	-82.4	-65.8	0	0	0	112.5	I365 L366 H371 V372 I373	I365-Y369 HydrophobicContact CG2-CD2 3.65Å; I365-Y369 HydrophobicContact CG2-CE2 3.56Å; I365-Y369 WeakPolarHBondContact O-CD2 3.41Å; I365-Y369 PolarHBondContact O-N 3.46Å; L366-Y369 PolarHBondContact O-N 3.42Å; Y369-H371 VanDerWaalsContact C-N 3.31Å; Y369-H371 PolarHBondContact O-N 3.44Å; Y369-V372 PolarHBondContact O-N 3.21Å; Y369-I373 VanDerWaalsContact O-CG1 3.31Å; Y369-I373 WeakPolarHBondContact O-CG1 3.47Å; Y369-I373 PolarHBondContact O-N 2.77Å
370	L	75.6	Confident	75	Confident	31 Å²	31	61.7 Å²	61.7	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-38.8	178.1	-70.5	171.8	0	0	0	111.5	L366 V367 I373 L374 L453	L366-L370 HydrophobicContact CD1-CD1 3.96Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CD2-CD1 4.42Å; L366-L370 HydrophobicContact CG-CD1 3.76Å; L366-L370 HydrophobicContact CG-CG 4.36Å; L366-L370 WeakPolarHBondContact O-CB 3.14Å; L366-L370 VanDerWaalsContact O-CG 3.25Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.29Å; V367-L370 PolarHBondContact O-N 3.49Å; L370-I373 PolarHBondContact O-N 3.19Å; L370-L374 HydrophobicContact CB-CD1 4.41Å; L370-L374 WeakPolarHBondContact O-CB 3.37Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.26Å; L370-L374 PolarHBondContact O-N 3.48Å; L370-L453 HydrophobicContact CD1-CD1 3.51Å; L370-L453 HydrophobicContact CD1-CD2 3.43Å; L370-L453 VanDerWaalsContact CD1-CD2 3.43Å; L370-L453 HydrophobicContact CD1-CG 3.98Å
371	H	74.9	Confident	73.8	Confident	18 Å²	18	63.3 Å²	63.3	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-46.1	173.6	-179.4	87.2	0	0	0	110.5	P160 V367 E368 Y369 I373 S375 V380 L382	P160-H371 WeakPolarHBondContact CG-NE2 3.46Å; V367-H371 WeakPolarHBondContact O-CB 3.24Å; V367-H371 PolarHBondContact O-N 3.32Å; E368-H371 PolarHBondContact O-N 2.91Å; Y369-H371 VanDerWaalsContact C-N 3.31Å; Y369-H371 PolarHBondContact O-N 3.44Å; H371-I373 PolarHBondContact O-N 3.34Å; H371-S375 WeakPolarHBondContact O-CA 3.49Å; H371-S375 WeakPolarHBondContact O-CB 3.09Å; H371-S375 PolarHBondContact O-N 3.4Å; H371-S375 PolarHBondContact O-OG 2.87Å; H371-V380 HydrophobicContact CB-CB 4.41Å; H371-V380 PolarHBondContact ND1-O 3.02Å; H371-L382 HydrophobicContact CB-CD2 3.95Å; H371-L382 HydrophobicContact CB-CG 4.29Å
372	V	74.2	Confident	72.7	Confident	76 Å²	76	61.8 Å²	61.8	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-47.1	176.4	171.3	0	0	0	0	111.7	L163 E368 Y369 S375	L163-V372 HydrophobicContact CD1-CG2 3.54Å; E368-V372 WeakPolarHBondContact O-CG2 3.41Å; E368-V372 PolarHBondContact O-N 3.01Å; Y369-V372 PolarHBondContact O-N 3.21Å; V372-S375 PolarHBondContact O-OG 3.22Å
373	I	77.6	Confident	71.8	Confident	116 Å²	116	60.5 Å²	60.5	60%	0.595	33%	0.331	S	S	*	.	H	α-helix	trans	-69	-41.7	-176.6	-66.3	165.6	0	0	0	111.7	Y369 L370 H371 P376	Y369-I373 VanDerWaalsContact O-CG1 3.31Å; Y369-I373 WeakPolarHBondContact O-CG1 3.47Å; Y369-I373 PolarHBondContact O-N 2.77Å; L370-I373 PolarHBondContact O-N 3.19Å; H371-I373 PolarHBondContact O-N 3.34Å; I373-P376 WeakPolarHBondContact O-CD 3.46Å
374	L	76.6	Confident	71.1	Confident	56 Å²	56	59.7 Å²	59.7	29%	0.293	32%	0.32	S	S	.	.	H	α-helix	trans	-94.6	-18.7	-171.7	-60.1	175	0	0	0	113.5	L370 P376 V377 I378 V380	L370-L374 HydrophobicContact CB-CD1 4.41Å; L370-L374 WeakPolarHBondContact O-CB 3.37Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.26Å; L370-L374 PolarHBondContact O-N 3.48Å; L374-P376 VanDerWaalsContact C-N 3.26Å; L374-P376 WeakPolarHBondContact O-CD 3.26Å; L374-P376 VanDerWaalsContact O-N 3.1Å; L374-V377 PolarHBondContact O-N 3.46Å; L374-I378 CarbonylContact C-O 3.49Å; L374-I378 PolarHBondContact O-N 2.92Å; L374-I378 VanDerWaalsContact O-O 3.13Å; L374-V380 HydrophobicContact CB-CG2 3.82Å; L374-V380 HydrophobicContact CD1-CG2 3.97Å
375	S	67.3	Low	70.8	Confident	58 Å²	58	59.7 Å²	59.7	41%	0.406	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-29.2	-178.4	57	0	0	0	0	115.9	H371 V372 V377	H371-S375 WeakPolarHBondContact O-CA 3.49Å; H371-S375 WeakPolarHBondContact O-CB 3.09Å; H371-S375 PolarHBondContact O-N 3.4Å; H371-S375 PolarHBondContact O-OG 2.87Å; V372-S375 PolarHBondContact O-OG 3.22Å; S375-V377 PolarHBondContact O-N 2.88Å
376	P	68.5	Low	70.6	Confident	106 Å²	106	61.4 Å²	61.4	69%	0.688	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.7	174.5	-19.2	33.8	0	0	0	113.9	I373 L374	I373-P376 WeakPolarHBondContact O-CD 3.46Å; L374-P376 VanDerWaalsContact C-N 3.26Å; L374-P376 WeakPolarHBondContact O-CD 3.26Å; L374-P376 VanDerWaalsContact O-N 3.1Å
377	V	66.6	Low	70.4	Confident	122 Å²	122	59 Å²	59	74%	0.739	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-35.6	-169.6	-170.3	0	0	0	0	112.1	L374 S375	L374-V377 PolarHBondContact O-N 3.46Å; S375-V377 PolarHBondContact O-N 2.88Å
378	I	62.6	Low	70.5	Confident	82 Å²	82	59.1 Å²	59.1	42%	0.421	31%	0.31	S	S	.	.	S	Bend	trans	-141.4	135.4	-174.1	-52.6	177.9	0	0	0	109.8	L374 V380	L374-I378 CarbonylContact C-O 3.49Å; L374-I378 PolarHBondContact O-N 2.92Å; L374-I378 VanDerWaalsContact O-O 3.13Å; I378-V380 PolarHBondContact O-N 3.4Å; I378-V380 VanDerWaalsContact O-N 3.14Å
379	E	56.8	Low	70.7	Confident	158 Å²	158	58.2 Å²	58.2	74%	0.738	31%	0.306	S	S	*	.			trans	-75.9	99	171.8	-166.5	174.6	-172.4	0	0	109.7	P381	E379-P381 WeakPolarHBondContact O-CD 3.38Å
380	V	59.2	Low	70.7	Confident	22 Å²	22	56 Å²	56	13%	0.133	30%	0.296	C	S	.	.			trans	-87.2	116.9	175.6	-177.7	0	0	0	0	109	V367 H371 L374 I378 L382	V367-V380 HydrophobicContact CG1-CG1 4.41Å; H371-V380 HydrophobicContact CB-CB 4.41Å; H371-V380 PolarHBondContact ND1-O 3.02Å; L374-V380 HydrophobicContact CB-CG2 3.82Å; L374-V380 HydrophobicContact CD1-CG2 3.97Å; I378-V380 PolarHBondContact O-N 3.4Å; I378-V380 VanDerWaalsContact O-N 3.14Å; V380-L382 PolarHBondContact O-N 3.46Å
381	P	59	Low	70.9	Confident	45 Å²	45	56 Å²	56	29%	0.292	30%	0.297	S	S	.	.			trans	-69.6	115.1	179.7	27	-32.4	0	0	0	110.5	E379 L383	E379-P381 WeakPolarHBondContact O-CD 3.38Å; P381-L383 PolarHBondContact O-N 3.09Å
382	L	62.2	Low	71.3	Confident	20 Å²	20	56.4 Å²	56.4	11%	0.105	30%	0.299	C	S	.	.			trans	-71	107.6	171.6	-73.7	163.4	0	0	0	109.2	R272 V367 E368 H371 V380	R272-L382 WeakPolarHBondContact CD-O 3.29Å; R272-L382 PolarHBondContact NE-O 3.26Å; V367-L382 HydrophobicContact CG1-CD2 3.92Å; E368-L382 HydrophobicContact CG-CD2 4.34Å; H371-L382 HydrophobicContact CB-CD2 3.95Å; H371-L382 HydrophobicContact CB-CG 4.29Å; V380-L382 PolarHBondContact O-N 3.46Å
383	L	64.3	Low	71.7	Confident	21 Å²	21	54 Å²	54	11%	0.11	29%	0.285	C	S	.	.	S	Bend	trans	-69.5	-53.9	175.3	-65.6	179.1	0	0	0	110.9	N276 L281 P381 L450	N276-L383 HydrophobicContact CB-CD2 4.41Å; N276-L383 VanDerWaalsContact CG-CD2 3.48Å; N276-L383 WeakPolarHBondContact ND2-CD2 3.34Å; N276-L383 WeakPolarHBondContact OD1-CD2 3.49Å; L281-L383 HydrophobicContact CB-CD1 4.46Å; L281-L383 HydrophobicContact CB-CD2 3.95Å; L281-L383 HydrophobicContact CD1-CD2 4.01Å; P381-L383 PolarHBondContact O-N 3.09Å; L383-L450 HydrophobicContact CD1-CD1 4.48Å; L383-L450 HydrophobicContact CD1-CD2 4.21Å
384	F	68.1	Low	72.1	Confident	23 Å²	23	49.7 Å²	49.7	10%	0.101	26%	0.264	C	S	.	.			trans	-140.1	140.4	176.1	-66.3	-74.3	0	0	0	110.5	F282 F284 E388 V389 I392	F282-F384 AromaticContact CD2-CE2 3.69Å; F282-F384 HydrophobicContact CD2-CE2 3.69Å; F282-F384 AromaticContact CD2-CZ 3.34Å; F282-F384 HydrophobicContact CD2-CZ 3.34Å; F282-F384 HydrophobicContact CE2-CE1 4.1Å; F282-F384 AromaticContact CE2-CE2 3.8Å; F282-F384 HydrophobicContact CE2-CE2 3.8Å; F282-F384 AromaticContact CE2-CZ 3.17Å; F282-F384 HydrophobicContact CE2-CZ 3.17Å; F282-F384 HydrophobicContact CG-CZ 4.5Å; F282-F384 HydrophobicContact CZ-CZ 4.22Å; F284-F384 HydrophobicContact CZ-CE2 4.24Å; F384-E388 WeakPolarHBondContact CA-OE2 3.18Å; F384-E388 HydrophobicContact CD1-CB 4.32Å; F384-V389 HydrophobicContact CB-CG2 3.8Å; F384-V389 HydrophobicContact CG-CG2 4.43Å; F384-I392 HydrophobicContact CD1-CD1 4.39Å; F384-I392 HydrophobicContact CE1-CD1 4.16Å
385	T	74.8	Confident	72.8	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.025	26%	0.258	C	S	.	.			trans	-87	161.9	162.7	72	0	0	0	0	110.7	E368 S387 E388 V389	E368-T385 WeakPolarHBondContact OE1-CA 3.44Å; E368-T385 WeakPolarHBondContact OE1-CB 3.48Å; T385-S387 PolarHBondContact O-N 3.45Å; T385-E388 PolarHBondContact N-OE2 3Å; T385-E388 PolarHBondContact O-N 3.12Å; T385-E388 VanDerWaalsContact O-N 3.09Å; T385-E388 WeakPolarHBondContact OG1-CG 3.27Å; T385-E388 PolarHBondContact OG1-N 3.31Å; T385-V389 WeakPolarHBondContact O-CG2 3.35Å; T385-V389 PolarHBondContact O-N 3.29Å
386	R	79.5	Confident	74	Confident	88 Å²	88	46 Å²	46	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-55	-38	174.5	-74.9	-179	-78	179.3	-2.2	112.7	Y361 A364 I365 E368 R390	Y361-R386 HydrophobicContact CD2-CG 4.49Å; Y361-R386 HydrophobicContact CE2-CB 3.85Å; Y361-R386 HydrophobicContact CE2-CG 3.93Å; A364-R386 HydrophobicContact CB-CG 4.37Å; I365-R386 HydrophobicContact CG1-CG 3.93Å; E368-R386 PolarHBondContact OE1-N 3.43Å; E368-R386 IonicContact OE1-NE 2.62Å; E368-R386 IonicContact OE2-CZ 3.13Å; E368-R386 IonicContact OE2-NE 2.88Å; E368-R386 PolarHBondContact OE2-NE 2.87Å; E368-R386 IonicContact OE2-NH2 3.33Å; E368-R386 PolarHBondContact OE2-NH2 3.31Å; R386-R390 PolarHBondContact O-N 3.14Å; R386-R390 VanDerWaalsContact O-N 3.17Å
387	S	76	Confident	75.3	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-45.2	177.5	-173.4	0	0	0	0	110.2	D224 T385 V389 R390 N391	D224-S387 PolarHBondContact OD2-OG 3.21Å; T385-S387 PolarHBondContact O-N 3.45Å; S387-V389 PolarHBondContact O-N 2.94Å; S387-R390 PolarHBondContact O-N 3.28Å; S387-N391 PolarHBondContact O-N 3.06Å; S387-N391 PolarHBondContact O-ND2 3.28Å; S387-N391 PolarHBondContact O-OD1 2.82Å
388	E	79.4	Confident	76.8	Confident	22 Å²	22	35.7 Å²	35.7	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-42.4	178	-68.5	172.1	161	0	0	112.6	H269 R272 F384 T385 R390 N391 I392	H269-E388 IonicContact CE1-OE1 2.76Å; H269-E388 PolarHBondContact CE1-OE1 3.33Å; H269-E388 IonicContact ND1-OE1 3.68Å; H269-E388 PolarHBondContact ND1-OE1 2.95Å; R272-E388 IonicContact CZ-OE1 2.66Å; R272-E388 IonicContact NH2-OE1 3.97Å; R272-E388 PolarHBondContact NH2-OE1 3.01Å; R272-E388 IonicContact NH2-OE2 3.63Å; R272-E388 PolarHBondContact NH2-OE2 2.87Å; F384-E388 WeakPolarHBondContact CA-OE2 3.18Å; F384-E388 HydrophobicContact CD1-CB 4.32Å; T385-E388 PolarHBondContact N-OE2 3Å; T385-E388 PolarHBondContact O-N 3.12Å; T385-E388 VanDerWaalsContact O-N 3.09Å; T385-E388 WeakPolarHBondContact OG1-CG 3.27Å; T385-E388 PolarHBondContact OG1-N 3.31Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.91Å; E388-N391 PolarHBondContact O-N 2.88Å; E388-I392 WeakPolarHBondContact O-CD1 3.37Å; E388-I392 VanDerWaalsContact O-CG1 3.27Å; E388-I392 WeakPolarHBondContact O-CG1 3.48Å; E388-I392 PolarHBondContact O-N 3.37Å; E388-I392 VanDerWaalsContact O-N 3.12Å
389	V	81.6	Confident	78.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-45.6	176.3	177.4	0	0	0	0	111	F286 V360 Y361 A364 F384 T385 S387 I392 T393	F286-V389 HydrophobicContact CD2-CG1 4.33Å; F286-V389 HydrophobicContact CE2-CB 4.37Å; F286-V389 HydrophobicContact CE2-CG1 3.87Å; V360-V389 HydrophobicContact CG1-CG1 4.13Å; V360-V389 HydrophobicContact CG1-CG2 3.86Å; Y361-V389 HydrophobicContact CD2-CB 4.38Å; Y361-V389 HydrophobicContact CD2-CG1 4.19Å; A364-V389 HydrophobicContact CB-CG2 3.99Å; F384-V389 HydrophobicContact CB-CG2 3.8Å; F384-V389 HydrophobicContact CG-CG2 4.43Å; T385-V389 WeakPolarHBondContact O-CG2 3.35Å; T385-V389 PolarHBondContact O-N 3.29Å; S387-V389 PolarHBondContact O-N 2.94Å; V389-I392 PolarHBondContact O-N 3.38Å; V389-T393 PolarHBondContact O-N 3.17Å; V389-T393 PolarHBondContact O-OG1 2.97Å
390	R	80.8	Confident	80.5	Confident	98 Å²	98	28.3 Å²	28.3	37%	0.37	14%	0.138	S	C	.	.	H	α-helix	trans	-66	-39.2	179.2	-77.9	-178.5	172.1	-170.2	0.7	112.5	I223 Y361 R386 S387 E388 I392 T393	I223-R390 HydrophobicContact CD1-CB 4.3Å; I223-R390 VanDerWaalsContact CD1-CD 3.42Å; Y361-R390 HydrophobicContact CD2-CG 4.43Å; Y361-R390 HydrophobicContact CE2-CG 4.01Å; Y361-R390 PolarHBondContact OH-NH2 3.32Å; R386-R390 PolarHBondContact O-N 3.14Å; R386-R390 VanDerWaalsContact O-N 3.17Å; S387-R390 PolarHBondContact O-N 3.28Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.91Å; R390-I392 VanDerWaalsContact C-N 3.26Å; R390-I392 PolarHBondContact O-N 2.94Å; R390-T393 PolarHBondContact O-N 3.45Å
391	N	80	Confident	82.3	Confident	32 Å²	32	30.8 Å²	30.8	17%	0.171	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-35.5	178.4	-66.6	-10.4	0	0	0	112	F201 S387 E388 H396	F201-N391 HydrophobicContact CE1-CB 4.14Å; F201-N391 WeakPolarHBondContact CE1-OD1 3.26Å; S387-N391 PolarHBondContact O-N 3.06Å; S387-N391 PolarHBondContact O-ND2 3.28Å; S387-N391 PolarHBondContact O-OD1 2.82Å; E388-N391 PolarHBondContact O-N 2.88Å; N391-H396 PolarHBondContact O-CE1 3.3Å; N391-H396 PolarHBondContact O-ND1 3Å
392	I	83.1	Confident	84.2	Confident	26 Å²	26	30.4 Å²	30.4	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-77.9	-25.7	179.8	-64.7	168.7	0	0	0	112.2	F286 L335 F384 E388 V389 R390 V394	F286-I392 HydrophobicContact CD2-CG2 4.38Å; F286-I392 HydrophobicContact CE2-CB 3.88Å; F286-I392 HydrophobicContact CE2-CD1 4.49Å; F286-I392 HydrophobicContact CE2-CG2 3.71Å; F286-I392 HydrophobicContact CZ-CB 4.05Å; F286-I392 HydrophobicContact CZ-CD1 3.83Å; F286-I392 HydrophobicContact CZ-CG2 3.8Å; L335-I392 HydrophobicContact CD2-CB 4.22Å; L335-I392 HydrophobicContact CD2-CD1 3.81Å; L335-I392 HydrophobicContact CD2-CG1 3.8Å; L335-I392 HydrophobicContact CD2-CG2 3.42Å; L335-I392 VanDerWaalsContact CD2-CG2 3.42Å; F384-I392 HydrophobicContact CD1-CD1 4.39Å; F384-I392 HydrophobicContact CE1-CD1 4.16Å; E388-I392 WeakPolarHBondContact O-CD1 3.37Å; E388-I392 VanDerWaalsContact O-CG1 3.27Å; E388-I392 WeakPolarHBondContact O-CG1 3.48Å; E388-I392 PolarHBondContact O-N 3.37Å; E388-I392 VanDerWaalsContact O-N 3.12Å; V389-I392 PolarHBondContact O-N 3.38Å; R390-I392 VanDerWaalsContact C-N 3.26Å; R390-I392 PolarHBondContact O-N 2.94Å; I392-V394 PolarHBondContact O-N 3.12Å
393	T	81.4	Confident	85.9	Confident	26 Å²	26	29.5 Å²	29.5	16%	0.16	14%	0.14	C	C	.	.	H	α-helix	trans	-72.4	-30.3	-168.1	-63.7	0	0	0	0	113.8	D288 V357 V389 R390	D288-T393 PolarHBondContact N-O 3.08Å; V357-T393 HydrophobicContact CG1-CG2 3.91Å; V357-T393 HydrophobicContact CG2-CG2 3.83Å; V389-T393 PolarHBondContact O-N 3.17Å; V389-T393 PolarHBondContact O-OG1 2.97Å; R390-T393 PolarHBondContact O-N 3.45Å
394	V	85.9	Confident	87.6	Confident	26 Å²	26	33.6 Å²	33.6	16%	0.158	15%	0.154	C	C	.	.	S	Bend	trans	-129.4	151.9	-170.6	-62.8	0	0	0	0	112.4	F201 P205 I392 H396	F201-V394 HydrophobicContact CE2-CG2 3.81Å; F201-V394 HydrophobicContact CZ-CG2 3.74Å; P205-V394 HydrophobicContact CB-CB 4.45Å; P205-V394 HydrophobicContact CG-CB 4.02Å; P205-V394 HydrophobicContact CG-CG1 4.09Å; I392-V394 PolarHBondContact O-N 3.12Å; V394-H396 PolarHBondContact O-N 3.34Å; V394-H396 PolarHBondContact O-ND1 3.12Å; V394-H396 VanDerWaalsContact O-ND1 3.08Å
395	S	91.3	Very high	89	Confident	23 Å²	23	40 Å²	40	16%	0.161	18%	0.184	C	C	.	.			trans	-60.5	133.8	172.8	-67.2	0	0	0	0	111.7	P205 I206 A291 R292	P205-S395 CarbonylContact C-O 3.55Å; P205-S395 VanDerWaalsContact CA-O 3.23Å; P205-S395 WeakPolarHBondContact CA-O 3.2Å; I206-S395 PolarHBondContact N-O 3.09Å; I206-S395 CarbonylContact O-C 3.46Å; A291-S395 WeakPolarHBondContact CA-OG 3.48Å; R292-S395 PolarHBondContact N-OG 3.06Å; R292-S395 VanDerWaalsContact N-OG 3.07Å; R292-S395 VanDerWaalsContact O-CA 3.24Å; R292-S395 WeakPolarHBondContact O-CA 3.47Å
396	H	93.5	Very high	90.1	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	90.6	172.8	56.6	-79.2	0	0	0	108.7	F201 I206 R292 M293 N391 V394 F398	F201-H396 HydrophobicContact CD2-CB 3.85Å; F201-H396 HydrophobicContact CE1-CB 4.31Å; F201-H396 HydrophobicContact CE2-CB 3.62Å; F201-H396 HydrophobicContact CG-CB 4.3Å; F201-H396 HydrophobicContact CZ-CB 3.87Å; F201-H396 AromaticContact CZ-CG 3.85Å; F201-H396 AromaticContact CZ-ND1 3.8Å; I206-H396 CarbonylContact O-C 3.52Å; I206-H396 WeakPolarHBondContact O-CA 3.16Å; I206-H396 PolarHBondContact O-N 3.36Å; R292-H396 PolarHBondContact O-N 3.45Å; M293-H396 VanDerWaalsContact CB-CE1 3.41Å; M293-H396 WeakPolarHBondContact CB-CE1 3.47Å; M293-H396 WeakPolarHBondContact CB-NE2 3.28Å; N391-H396 PolarHBondContact O-CE1 3.3Å; N391-H396 PolarHBondContact O-ND1 3Å; V394-H396 PolarHBondContact O-N 3.34Å; V394-H396 PolarHBondContact O-ND1 3.12Å; V394-H396 VanDerWaalsContact O-ND1 3.08Å; H396-F398 HydrophobicContact CB-CE2 4.29Å
397	T	96.1	Very high	91	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.6	178.9	66.1	0	0	0	0	111.6	I206 D208 G209 R292 N294 S332	I206-T397 PolarHBondContact O-N 3.04Å; D208-T397 WeakPolarHBondContact CA-O 3.42Å; D208-T397 PolarHBondContact N-O 3.14Å; D208-T397 PolarHBondContact N-OG1 3.39Å; D208-T397 PolarHBondContact OD1-OG1 2.84Å; G209-T397 PolarHBondContact N-O 3.35Å; R292-T397 HydrophobicContact CB-CG2 3.99Å; R292-T397 WeakPolarHBondContact O-CG2 3.4Å; N294-T397 WeakPolarHBondContact OD1-CA 3.5Å; S332-T397 WeakPolarHBondContact OG-CG2 3.5Å
398	F	97.8	Very high	92	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.5	-174.8	-58.3	-87.2	0	0	0	110.5	I197 V200 F201 I206 G209 V214 N294 F326 N328 H396	I197-F398 HydrophobicContact CB-CD2 4.48Å; I197-F398 HydrophobicContact CB-CE2 3.88Å; I197-F398 HydrophobicContact CB-CZ 4.17Å; I197-F398 HydrophobicContact CD1-CE2 3.98Å; I197-F398 HydrophobicContact CG2-CD2 3.93Å; I197-F398 HydrophobicContact CG2-CE2 3.84Å; I197-F398 HydrophobicContact CG2-CZ 4.37Å; V200-F398 HydrophobicContact CG2-CE1 3.79Å; V200-F398 HydrophobicContact CG2-CZ 4.04Å; F201-F398 HydrophobicContact CB-CZ 4.43Å; I206-F398 HydrophobicContact CD1-CE1 4Å; I206-F398 HydrophobicContact CD1-CZ 3.87Å; I206-F398 HydrophobicContact CG2-CD1 4.41Å; I206-F398 HydrophobicContact CG2-CE1 3.96Å; I206-F398 HydrophobicContact CG2-CZ 4.34Å; G209-F398 CarbonylContact O-C 3.54Å; G209-F398 WeakPolarHBondContact O-CA 3.34Å; V214-F398 HydrophobicContact CG1-CE1 4.38Å; V214-F398 HydrophobicContact CG2-CE1 4.32Å; N294-F398 PolarHBondContact OD1-N 2.88Å; F326-F398 HydrophobicContact CB-CB 4.04Å; F326-F398 HydrophobicContact CD1-CB 4Å; F326-F398 AromaticContact CD1-CD1 3.81Å; F326-F398 HydrophobicContact CD1-CD1 3.81Å; F326-F398 HydrophobicContact CD1-CE1 4.45Å; F326-F398 AromaticContact CD1-CG 3.88Å; F326-F398 HydrophobicContact CD1-CG 3.88Å; F326-F398 HydrophobicContact CD2-CB 4.18Å; F326-F398 HydrophobicContact CD2-CD1 4.16Å; F326-F398 AromaticContact CE1-CD1 3.46Å; F326-F398 HydrophobicContact CE1-CD1 3.46Å; F326-F398 VanDerWaalsContact CE1-CD1 3.46Å; F326-F398 AromaticContact CE1-CE1 3.73Å; F326-F398 HydrophobicContact CE1-CE1 3.73Å; F326-F398 AromaticContact CE1-CG 3.99Å; F326-F398 HydrophobicContact CE1-CG 3.99Å; F326-F398 HydrophobicContact CE1-CZ 4.47Å; F326-F398 AromaticContact CE2-CD1 3.84Å; F326-F398 HydrophobicContact CE2-CD1 3.84Å; F326-F398 HydrophobicContact CG-CB 3.81Å; F326-F398 HydrophobicContact CG-CD1 4.14Å; F326-F398 HydrophobicContact CG-CG 4.17Å; F326-F398 AromaticContact CZ-CD1 3.48Å; F326-F398 HydrophobicContact CZ-CD1 3.48Å; F326-F398 VanDerWaalsContact CZ-CD1 3.48Å; F326-F398 AromaticContact CZ-CE1 3.77Å; F326-F398 HydrophobicContact CZ-CE1 3.77Å; F326-F398 HydrophobicContact CZ-CG 4.37Å; N328-F398 PolarHBondContact ND2-O 3.1Å; H396-F398 HydrophobicContact CB-CE2 4.29Å
399	K	98	Very high	92.9	Very high	83 Å²	83	39.4 Å²	39.4	36%	0.361	20%	0.196	S	C	.	.			trans	-73.1	148.8	174.8	-66.9	175.6	-177.9	168.8	0	110.1	D208 G209 D210	D208-K399 HydrophobicContact CB-CD 4.43Å; D208-K399 HydrophobicContact CB-CG 3.99Å; D208-K399 WeakPolarHBondContact O-CD 3.36Å; D208-K399 WeakPolarHBondContact O-CE 3.4Å; D208-K399 WeakPolarHBondContact O-CG 3.29Å; G209-K399 PolarHBondContact O-N 3.48Å; D210-K399 HydrophobicContact CB-CB 4.46Å
400	I	98.1	Very high	93.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	22%	0.218	C	C	.	.			trans	-115.7	18.9	174.8	62.7	171.5	0	0	0	111.7	F326 N328 K402 A403 R404 Y409 P411	F326-I400 WeakPolarHBondContact O-CG2 3.28Å; N328-I400 HydrophobicContact CB-CG2 4.44Å; N328-I400 VanDerWaalsContact CG-CG2 3.43Å; N328-I400 WeakPolarHBondContact ND2-CG2 3Å; N328-I400 WeakPolarHBondContact OD1-CG2 3.44Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.24Å; I400-A403 PolarHBondContact O-N 2.96Å; I400-R404 HydrophobicContact CG1-CG 4.47Å; I400-R404 WeakPolarHBondContact O-CG 3.35Å; I400-R404 PolarHBondContact O-N 2.81Å; I400-Y409 HydrophobicContact CD1-CD1 4.2Å; I400-Y409 HydrophobicContact CD1-CE1 3.96Å; I400-P411 HydrophobicContact CD1-CG 3.89Å
401	D	98.3	Very high	94.4	Very high	74 Å²	74	39.1 Å²	39.1	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-39.9	-174.6	-63.9	-26.9	0	0	0	111.5	R404 Q405	D401-R404 WeakPolarHBondContact O-CB 3.29Å; D401-R404 PolarHBondContact O-N 2.89Å; D401-R404 IonicContact OD1-NH1 3.59Å; D401-Q405 WeakPolarHBondContact O-CB 3.3Å; D401-Q405 VanDerWaalsContact O-CG 3.24Å; D401-Q405 WeakPolarHBondContact O-CG 3.39Å; D401-Q405 PolarHBondContact O-N 2.96Å
402	K	98.4	Very high	95.2	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-45.8	174.7	-165.6	-168.6	174.7	-173.6	0	112	E211 V324 Y325 I400 R404 Q405 E406	E211-K402 HydrophobicContact CB-CD 4.5Å; E211-K402 HydrophobicContact CG-CD 4.16Å; V324-K402 PolarHBondContact O-NZ 2.95Å; Y325-K402 HydrophobicContact CD1-CB 4.33Å; Y325-K402 HydrophobicContact CD1-CD 3.92Å; Y325-K402 HydrophobicContact CD1-CG 3.97Å; Y325-K402 HydrophobicContact CE1-CD 3.88Å; Y325-K402 HydrophobicContact CE1-CG 3.82Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.24Å; K402-R404 VanDerWaalsContact C-N 3.33Å; K402-R404 PolarHBondContact O-N 3.43Å; K402-Q405 PolarHBondContact O-N 2.94Å; K402-E406 VanDerWaalsContact CE-OE1 3.28Å; K402-E406 WeakPolarHBondContact CE-OE1 3.35Å; K402-E406 WeakPolarHBondContact CE-OE2 3.27Å; K402-E406 HydrophobicContact CG-CG 4.46Å; K402-E406 WeakPolarHBondContact O-CB 3.3Å; K402-E406 PolarHBondContact O-N 3.4Å
403	A	98.5	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-39.1	176.8	0	0	0	0	0	111.9	Y325 I327 I400 L407 G408 Y409	Y325-A403 HydrophobicContact CD1-CB 4.14Å; I327-A403 HydrophobicContact CD1-CB 3.94Å; I400-A403 PolarHBondContact O-N 2.96Å; A403-L407 HydrophobicContact CB-CD1 4.45Å; A403-L407 WeakPolarHBondContact O-CA 3.31Å; A403-L407 VanDerWaalsContact O-CB 3.23Å; A403-L407 WeakPolarHBondContact O-CB 3.47Å; A403-L407 PolarHBondContact O-N 2.84Å; A403-G408 PolarHBondContact O-N 2.96Å; A403-Y409 HydrophobicContact CB-CD1 4.04Å; A403-Y409 HydrophobicContact CB-CG 4.43Å; A403-Y409 WeakPolarHBondContact O-CB 3.47Å; A403-Y409 PolarHBondContact O-N 2.87Å
404	R	98.4	Very high	96.2	Very high	108 Å²	108	50.5 Å²	50.5	41%	0.408	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174	-79.5	170.2	173.4	160	-2.2	112	I400 D401 K402 G408 Y409	I400-R404 HydrophobicContact CG1-CG 4.47Å; I400-R404 WeakPolarHBondContact O-CG 3.35Å; I400-R404 PolarHBondContact O-N 2.81Å; D401-R404 WeakPolarHBondContact O-CB 3.29Å; D401-R404 PolarHBondContact O-N 2.89Å; D401-R404 IonicContact OD1-NH1 3.59Å; K402-R404 VanDerWaalsContact C-N 3.33Å; K402-R404 PolarHBondContact O-N 3.43Å; R404-G408 VanDerWaalsContact O-CA 3.26Å; R404-G408 WeakPolarHBondContact O-CA 3.3Å; R404-G408 PolarHBondContact O-N 3.28Å; R404-Y409 WeakPolarHBondContact CG-O 3.49Å
405	Q	98.1	Very high	96.4	Very high	156 Å²	156	52.2 Å²	52.2	73%	0.729	27%	0.271	S	S	*	.	H	α-helix	trans	-72.2	-46.1	-175.5	-71.1	170.8	18.1	0	0	112.7	D401 K402	D401-Q405 WeakPolarHBondContact O-CB 3.3Å; D401-Q405 VanDerWaalsContact O-CG 3.24Å; D401-Q405 WeakPolarHBondContact O-CG 3.39Å; D401-Q405 PolarHBondContact O-N 2.96Å; K402-Q405 PolarHBondContact O-N 2.94Å
406	E	98.1	Very high	96.4	Very high	54 Å²	54	51.2 Å²	51.2	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-92.9	-34.6	-171.2	-64.2	178.8	-164	0	0	113.2	I319 Y325 K402	I319-E406 HydrophobicContact CD1-CB 4.06Å; I319-E406 HydrophobicContact CD1-CG 4.1Å; I319-E406 HydrophobicContact CG1-CB 4.21Å; I319-E406 HydrophobicContact CG1-CG 4.3Å; I319-E406 WeakPolarHBondContact CG2-O 3.2Å; Y325-E406 HydrophobicContact CE1-CB 3.92Å; Y325-E406 HydrophobicContact CE1-CG 4.46Å; Y325-E406 WeakPolarHBondContact CE1-OE2 3.49Å; Y325-E406 VanDerWaalsContact CZ-OE2 3.23Å; Y325-E406 PolarHBondContact OH-OE2 3.45Å; K402-E406 VanDerWaalsContact CE-OE1 3.28Å; K402-E406 WeakPolarHBondContact CE-OE1 3.35Å; K402-E406 WeakPolarHBondContact CE-OE2 3.27Å; K402-E406 HydrophobicContact CG-CG 4.46Å; K402-E406 WeakPolarHBondContact O-CB 3.3Å; K402-E406 PolarHBondContact O-N 3.4Å
407	L	98.1	Very high	96.2	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-99.4	-14.3	-179.3	-49.8	-177.4	0	0	0	113	L256 L307 A308 A311 A320 Y325 A403 Y409	L256-L407 HydrophobicContact CD2-CD1 4.31Å; L307-L407 HydrophobicContact CB-CB 4.15Å; A308-L407 HydrophobicContact CB-CD1 4.46Å; A311-L407 HydrophobicContact CB-CD2 3.51Å; A320-L407 HydrophobicContact CB-CD2 3.87Å; Y325-L407 HydrophobicContact CD1-CD1 4.21Å; Y325-L407 HydrophobicContact CD1-CG 4.31Å; Y325-L407 HydrophobicContact CD2-CD1 3.87Å; Y325-L407 HydrophobicContact CD2-CD2 4.48Å; Y325-L407 HydrophobicContact CD2-CG 4.42Å; Y325-L407 HydrophobicContact CE1-CD1 4.42Å; Y325-L407 HydrophobicContact CE1-CD2 4.34Å; Y325-L407 HydrophobicContact CE1-CG 4.09Å; Y325-L407 HydrophobicContact CE2-CD1 4.1Å; Y325-L407 HydrophobicContact CE2-CD2 3.88Å; Y325-L407 HydrophobicContact CE2-CG 4.2Å; Y325-L407 HydrophobicContact CG-CD1 3.91Å; Y325-L407 HydrophobicContact CG-CG 4.45Å; A403-L407 HydrophobicContact CB-CD1 4.45Å; A403-L407 WeakPolarHBondContact O-CA 3.31Å; A403-L407 VanDerWaalsContact O-CB 3.23Å; A403-L407 WeakPolarHBondContact O-CB 3.47Å; A403-L407 PolarHBondContact O-N 2.84Å; L407-Y409 VanDerWaalsContact C-N 3.26Å
408	G	97.7	Very high	96	Very high	45 Å²	45	53 Å²	53	46%	0.464	28%	0.276	S	S	.	.			trans	69.6	24.6	-168.1	0	0	0	0	0	112.9	A403 R404 C410	A403-G408 PolarHBondContact O-N 2.96Å; R404-G408 VanDerWaalsContact O-CA 3.26Å; R404-G408 WeakPolarHBondContact O-CA 3.3Å; R404-G408 PolarHBondContact O-N 3.28Å; G408-C410 PolarHBondContact O-N 2.94Å; G408-C410 VanDerWaalsContact O-N 3.13Å
409	Y	98.3	Very high	95.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.			trans	-70.9	106.7	-174.7	176.3	-114.4	0	0	0	112.3	N300 L303 A304 L307 I327 N328 I400 A403 R404 L407 P411	N300-Y409 WeakPolarHBondContact O-CE2 3.46Å; L303-Y409 HydrophobicContact CD2-CD2 4.45Å; L303-Y409 HydrophobicContact CD2-CE2 4.47Å; L303-Y409 HydrophobicContact CG-CD2 4.45Å; A304-Y409 HydrophobicContact CB-CD2 3.93Å; A304-Y409 HydrophobicContact CB-CE2 3.78Å; L307-Y409 HydrophobicContact CD1-CD2 4.2Å; I327-Y409 HydrophobicContact CD1-CD1 4.31Å; I327-Y409 HydrophobicContact CD1-CE1 4.41Å; I327-Y409 HydrophobicContact CG2-CE1 4.15Å; I327-Y409 HydrophobicContact CG2-CE2 4.4Å; N328-Y409 VanDerWaalsContact O-CE1 3.26Å; N328-Y409 WeakPolarHBondContact O-CE1 3.32Å; N328-Y409 PolarHBondContact O-OH 3.24Å; I400-Y409 HydrophobicContact CD1-CD1 4.2Å; I400-Y409 HydrophobicContact CD1-CE1 3.96Å; A403-Y409 HydrophobicContact CB-CD1 4.04Å; A403-Y409 HydrophobicContact CB-CG 4.43Å; A403-Y409 WeakPolarHBondContact O-CB 3.47Å; A403-Y409 PolarHBondContact O-N 2.87Å; R404-Y409 WeakPolarHBondContact CG-O 3.49Å; L407-Y409 VanDerWaalsContact C-N 3.26Å; Y409-P411 HydrophobicContact CE1-CB 4.24Å; Y409-P411 HydrophobicContact CE1-CG 4.1Å; Y409-P411 HydrophobicContact CE2-CB 4.47Å
410	C	97.4	Very high	95.1	Very high	67 Å²	67	48.9 Å²	48.9	45%	0.453	26%	0.259	S	S	.	.			trans	-116.4	93.6	176.7	-69.8	0	0	0	0	109.9	G408	G408-C410 PolarHBondContact O-N 2.94Å; G408-C410 VanDerWaalsContact O-N 3.13Å
411	P	96.6	Very high	94.7	Very high	24 Å²	24	53.7 Å²	53.7	16%	0.156	28%	0.282	C	S	.	.			trans	-63.8	138.6	-178.3	24.2	-32	0	0	0	111.4	N300 D329 I400 Y409	N300-P411 HydrophobicContact CB-CB 4.43Å; D329-P411 WeakPolarHBondContact O-CG 3.28Å; I400-P411 HydrophobicContact CD1-CG 3.89Å; Y409-P411 HydrophobicContact CE1-CB 4.24Å; Y409-P411 HydrophobicContact CE1-CG 4.1Å; Y409-P411 HydrophobicContact CE2-CB 4.47Å
412	Q	95.8	Very high	94.3	Very high	101 Å²	101	53 Å²	53	47%	0.472	28%	0.276	S	S	.	.			trans	-80.9	154.3	171.2	-60.1	-59.9	-48.2	0	0	110.4	N300 Y414	N300-Q412 PolarHBondContact ND2-O 2.67Å; N300-Q412 PolarHBondContact OD1-N 3.45Å; Q412-Y414 HydrophobicContact CB-CD2 4.3Å; Q412-Y414 HydrophobicContact CB-CE2 3.66Å; Q412-Y414 WeakPolarHBondContact O-CD2 3.34Å; Q412-Y414 PolarHBondContact O-N 3.17Å
413	L	92.8	Very high	93.7	Very high	141 Å²	141	52.7 Å²	52.7	74%	0.738	27%	0.274	S	S	*	.			trans	-80.9	114.5	177.4	-67.6	174.3	0	0	0	110	L331	L331-L413 HydrophobicContact CD1-CD2 3.99Å
414	Y	93.3	Very high	93.1	Very high	82 Å²	82	54.8 Å²	54.8	32%	0.322	29%	0.285	S	S	.	.			trans	-112.9	164.5	170.4	-65.3	-85.8	0	0	0	110.3	H297 D299 N300 Q412	H297-Y414 HydrophobicContact CB-CD2 3.45Å; H297-Y414 VanDerWaalsContact CB-CD2 3.45Å; H297-Y414 HydrophobicContact CB-CE2 4.18Å; H297-Y414 HydrophobicContact CB-CG 3.76Å; H297-Y414 AromaticContact CD2-CG 3.84Å; H297-Y414 AromaticContact CE1-CD1 3.46Å; H297-Y414 VanDerWaalsContact CE1-CD1 3.46Å; H297-Y414 WeakPolarHBondContact CE1-CD1 3.34Å; H297-Y414 AromaticContact CE1-CE1 3.62Å; H297-Y414 AromaticContact CE1-CG 3.79Å; H297-Y414 AromaticContact CG-CD1 3.85Å; H297-Y414 AromaticContact CG-CD2 3.43Å; H297-Y414 VanDerWaalsContact CG-CD2 3.43Å; H297-Y414 AromaticContact CG-CG 3.33Å; H297-Y414 AromaticContact ND1-CD1 3.41Å; H297-Y414 WeakPolarHBondContact ND1-CD1 3.39Å; H297-Y414 AromaticContact ND1-CD2 3.31Å; H297-Y414 VanDerWaalsContact ND1-CD2 3.31Å; H297-Y414 WeakPolarHBondContact ND1-CD2 3.32Å; H297-Y414 AromaticContact ND1-CE1 3.56Å; H297-Y414 AromaticContact ND1-CE2 3.44Å; H297-Y414 WeakPolarHBondContact ND1-CE2 3.36Å; H297-Y414 AromaticContact ND1-CG 3.3Å; H297-Y414 VanDerWaalsContact ND1-CG 3.3Å; H297-Y414 AromaticContact ND1-CZ 3.59Å; H297-Y414 AromaticContact NE2-CD1 3.96Å; D299-Y414 HydrophobicContact CB-CE2 4.27Å; N300-Y414 WeakPolarHBondContact OD1-CE2 3.42Å; Q412-Y414 HydrophobicContact CB-CD2 4.3Å; Q412-Y414 HydrophobicContact CB-CE2 3.66Å; Q412-Y414 WeakPolarHBondContact O-CD2 3.34Å; Q412-Y414 PolarHBondContact O-N 3.17Å
415	S	90.5	Very high	92.6	Very high	61 Å²	61	57 Å²	57	43%	0.427	30%	0.297	S	S	.	.			trans	-131.7	139.4	177.6	173.4	0	0	0	0	108.9	A417 D418	S415-A417 PolarHBondContact O-N 3.36Å; S415-A417 WeakPolarHBondContact OG-CB 3.47Å; S415-A417 PolarHBondContact OG-N 3.24Å; S415-D418 PolarHBondContact O-N 3.45Å
416	L	90.4	Very high	91.9	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-20.8	175.2	-172.7	62.1	0	0	0	113.5	Y262 L270 W338 L339 P341 L342 D418 S419 V420	Y262-L416 HydrophobicContact CD2-CD1 4.12Å; L270-L416 HydrophobicContact CD1-CD1 3.9Å; L270-L416 HydrophobicContact CD2-CD1 3.61Å; L270-L416 HydrophobicContact CG-CD1 4.43Å; W338-L416 HydrophobicContact CD2-CD2 4.19Å; W338-L416 HydrophobicContact CE3-CD2 4.04Å; W338-L416 HydrophobicContact CH2-CD1 3.66Å; W338-L416 HydrophobicContact CH2-CD2 4.05Å; W338-L416 HydrophobicContact CH2-CG 4.44Å; W338-L416 HydrophobicContact CZ2-CB 4.48Å; W338-L416 HydrophobicContact CZ2-CD1 3.65Å; W338-L416 HydrophobicContact CZ2-CD2 4.19Å; W338-L416 HydrophobicContact CZ2-CG 4.32Å; W338-L416 HydrophobicContact CZ3-CD1 4.39Å; W338-L416 HydrophobicContact CZ3-CD2 3.96Å; W338-L416 WeakPolarHBondContact O-CD2 3.49Å; L339-L416 HydrophobicContact CD2-CD2 3.97Å; P341-L416 HydrophobicContact CG-CB 4.4Å; L342-L416 HydrophobicContact CB-CD2 4.26Å; L416-D418 PolarHBondContact O-N 3.38Å; L416-S419 WeakPolarHBondContact O-CB 3.28Å; L416-S419 PolarHBondContact O-N 3.29Å; L416-S419 VanDerWaalsContact O-N 3.14Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CG2 3.47Å; L416-V420 PolarHBondContact O-N 3.47Å
417	A	89.6	Confident	91	Very high	18 Å²	18	54.6 Å²	54.6	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-46	-42	171.6	0	0	0	0	0	113.7	P341 K345 S415 S419 V420 E421	P341-A417 HydrophobicContact CB-CB 4.25Å; K345-A417 HydrophobicContact CD-CB 4.36Å; K345-A417 VanDerWaalsContact CE-CB 3.44Å; S415-A417 PolarHBondContact O-N 3.36Å; S415-A417 WeakPolarHBondContact OG-CB 3.47Å; S415-A417 PolarHBondContact OG-N 3.24Å; A417-S419 VanDerWaalsContact C-N 3.3Å; A417-S419 PolarHBondContact O-N 3.08Å; A417-V420 PolarHBondContact O-N 3Å; A417-E421 WeakPolarHBondContact O-CG 3.41Å; A417-E421 PolarHBondContact O-N 3.48Å
418	D	91.4	Very high	89.8	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-37.8	-178.4	58.9	11.2	0	0	0	113	P264 H297 S415 L416 E421 H422	P264-D418 HydrophobicContact CG-CB 4.09Å; H297-D418 IonicContact CD2-OD2 3.95Å; H297-D418 IonicContact CE1-OD2 3.8Å; H297-D418 IonicContact NE2-OD2 3.77Å; H297-D418 PolarHBondContact NE2-OD2 3Å; S415-D418 PolarHBondContact O-N 3.45Å; L416-D418 PolarHBondContact O-N 3.38Å; D418-E421 PolarHBondContact O-N 2.91Å; D418-H422 WeakPolarHBondContact O-CB 3.41Å; D418-H422 PolarHBondContact O-N 3.4Å
419	S	89.9	Confident	88.2	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-72.6	-37.8	-177.7	-53.3	0	0	0	0	109.6	G263 L416 A417 Y423	G263-S419 WeakPolarHBondContact CA-OG 3.25Å; G263-S419 PolarHBondContact N-OG 3.37Å; G263-S419 PolarHBondContact O-OG 2.78Å; L416-S419 WeakPolarHBondContact O-CB 3.28Å; L416-S419 PolarHBondContact O-N 3.29Å; L416-S419 VanDerWaalsContact O-N 3.14Å; A417-S419 VanDerWaalsContact C-N 3.3Å; A417-S419 PolarHBondContact O-N 3.08Å; S419-Y423 WeakPolarHBondContact O-CB 3.15Å; S419-Y423 PolarHBondContact O-N 3.44Å
420	V	87.4	Confident	86.4	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.5	-42.9	174.8	-174.8	0	0	0	0	111	M274 L342 K345 L346 L416 A417 H422 Y423 L424	M274-V420 HydrophobicContact CE-CB 4.1Å; M274-V420 HydrophobicContact CE-CG2 3.67Å; L342-V420 HydrophobicContact CB-CG2 3.85Å; L342-V420 HydrophobicContact CG-CG2 4.29Å; K345-V420 HydrophobicContact CB-CB 4.49Å; K345-V420 HydrophobicContact CB-CG1 3.66Å; K345-V420 HydrophobicContact CD-CB 4.04Å; K345-V420 HydrophobicContact CD-CG1 4.05Å; L346-V420 HydrophobicContact CD2-CG1 4.34Å; L346-V420 HydrophobicContact CG-CG1 4.29Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CG2 3.47Å; L416-V420 PolarHBondContact O-N 3.47Å; A417-V420 PolarHBondContact O-N 3Å; V420-H422 VanDerWaalsContact C-N 3.34Å; V420-H422 PolarHBondContact O-N 2.89Å; V420-Y423 WeakPolarHBondContact O-CB 3.17Å; V420-Y423 PolarHBondContact O-N 3.33Å; V420-L424 HydrophobicContact CG1-CD1 4.31Å; V420-L424 WeakPolarHBondContact O-CG 3.45Å; V420-L424 PolarHBondContact O-N 3.03Å
421	E	90.6	Very high	84.1	Confident	104 Å²	104	72.4 Å²	72.4	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.4	-74.5	171.6	-171.6	0	0	111.9	K345 A417 D418 Y423 L424 K425	K345-E421 HydrophobicContact CD-CG 4.2Å; K345-E421 WeakPolarHBondContact CE-OE1 3.5Å; K345-E421 IonicContact NZ-OE1 3.21Å; K345-E421 PolarHBondContact NZ-OE1 2.75Å; A417-E421 WeakPolarHBondContact O-CG 3.41Å; A417-E421 PolarHBondContact O-N 3.48Å; D418-E421 PolarHBondContact O-N 2.91Å; E421-Y423 VanDerWaalsContact C-N 3.34Å; E421-Y423 PolarHBondContact O-N 2.81Å; E421-L424 PolarHBondContact O-N 2.92Å; E421-K425 WeakPolarHBondContact O-CB 3.23Å; E421-K425 PolarHBondContact O-N 3.48Å
422	H	88.4	Confident	81.1	Confident	59 Å²	59	76.4 Å²	76.4	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-43.8	175.3	-171.9	85.1	0	0	0	112.1	P264 G265 D418 V420 K425 I426	P264-H422 HydrophobicContact CB-CB 3.85Å; G265-H422 PolarHBondContact N-CD2 3.29Å; G265-H422 VanDerWaalsContact N-CD2 3.26Å; D418-H422 WeakPolarHBondContact O-CB 3.41Å; D418-H422 PolarHBondContact O-N 3.4Å; V420-H422 VanDerWaalsContact C-N 3.34Å; V420-H422 PolarHBondContact O-N 2.89Å; H422-K425 PolarHBondContact O-N 2.84Å; H422-I426 VanDerWaalsContact NE2-CD1 3.3Å; H422-I426 WeakPolarHBondContact NE2-CD1 3.46Å; H422-I426 PolarHBondContact O-N 3.25Å; H422-I426 VanDerWaalsContact O-N 3.08Å
423	Y	86.5	Confident	78.3	Confident	30 Å²	30	77.8 Å²	77.8	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-48.3	175.1	174.4	-103.4	0	0	0	111.9	H271 M274 E278 L346 S419 V420 E421 K425 I426 R427	H271-Y423 AromaticContact CE1-CE2 3.56Å; H271-Y423 AromaticContact ND1-CD2 3.64Å; H271-Y423 AromaticContact ND1-CE2 3.34Å; H271-Y423 VanDerWaalsContact ND1-CE2 3.34Å; H271-Y423 WeakPolarHBondContact ND1-CE2 3.24Å; M274-Y423 HydrophobicContact CB-CD1 4.4Å; M274-Y423 HydrophobicContact CB-CE1 4.15Å; M274-Y423 HydrophobicContact CB-CE2 4.37Å; M274-Y423 HydrophobicContact CG-CD1 4.5Å; M274-Y423 VanDerWaalsContact SD-CB 3.56Å; M274-Y423 HydrophobicContact SD-CD1 3.87Å; M274-Y423 HydrophobicContact SD-CD2 3.76Å; M274-Y423 HydrophobicContact SD-CE2 4.42Å; M274-Y423 HydrophobicContact SD-CG 3.44Å; E278-Y423 PolarHBondContact OE2-OH 3.22Å; L346-Y423 HydrophobicContact CD2-CD1 4.42Å; L346-Y423 HydrophobicContact CD2-CE1 4.38Å; S419-Y423 WeakPolarHBondContact O-CB 3.15Å; S419-Y423 PolarHBondContact O-N 3.44Å; V420-Y423 WeakPolarHBondContact O-CB 3.17Å; V420-Y423 PolarHBondContact O-N 3.33Å; E421-Y423 VanDerWaalsContact C-N 3.34Å; E421-Y423 PolarHBondContact O-N 2.81Å; Y423-K425 VanDerWaalsContact C-N 3.32Å; Y423-K425 PolarHBondContact O-N 3.31Å; Y423-I426 PolarHBondContact O-N 3.41Å; Y423-R427 PolarHBondContact O-N 3.1Å
424	L	86.8	Confident	75.6	Confident	45 Å²	45	77.9 Å²	77.9	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-39.5	178.5	-72.4	175.6	0	0	0	112.2	L346 V420 E421 R427 Q428	L346-L424 HydrophobicContact CD2-CD2 3.83Å; L346-L424 HydrophobicContact CD2-CG 4.41Å; V420-L424 HydrophobicContact CG1-CD1 4.31Å; V420-L424 WeakPolarHBondContact O-CG 3.45Å; V420-L424 PolarHBondContact O-N 3.03Å; E421-L424 PolarHBondContact O-N 2.92Å; L424-R427 WeakPolarHBondContact O-CB 3.36Å; L424-R427 PolarHBondContact O-N 2.71Å; L424-Q428 WeakPolarHBondContact O-CG 3.43Å; L424-Q428 PolarHBondContact O-N 3.05Å
425	K	87.1	Confident	72.6	Confident	154 Å²	154	78.5 Å²	78.5	67%	0.67	41%	0.411	S	S	*	.	H	α-helix	trans	-63.5	-45	176.4	-171.9	178.3	-178.1	177.8	0	112.2	E421 H422 Y423 R427 Q428 S429	E421-K425 WeakPolarHBondContact O-CB 3.23Å; E421-K425 PolarHBondContact O-N 3.48Å; H422-K425 PolarHBondContact O-N 2.84Å; Y423-K425 VanDerWaalsContact C-N 3.32Å; Y423-K425 PolarHBondContact O-N 3.31Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-Q428 PolarHBondContact O-N 3.33Å; K425-S429 PolarHBondContact O-N 3.11Å; K425-S429 VanDerWaalsContact O-N 3.09Å
426	I	84.1	Confident	70.1	Confident	50 Å²	50	84.6 Å²	84.6	26%	0.256	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.2	-69.9	174.3	0	0	0	110.4	H422 Y423 S429 R430	H422-I426 VanDerWaalsContact NE2-CD1 3.3Å; H422-I426 WeakPolarHBondContact NE2-CD1 3.46Å; H422-I426 PolarHBondContact O-N 3.25Å; H422-I426 VanDerWaalsContact O-N 3.08Å; Y423-I426 PolarHBondContact O-N 3.41Å; I426-S429 WeakPolarHBondContact CA-OG 3.25Å; I426-S429 PolarHBondContact O-N 2.89Å; I426-S429 PolarHBondContact O-OG 3.46Å; I426-R430 PolarHBondContact O-N 2.91Å; I426-R430 VanDerWaalsContact O-N 3.17Å
427	R	77.6	Confident	67.5	Low	110 Å²	110	89 Å²	89	42%	0.415	47%	0.468	S	S	.	.	H	α-helix	trans	-57.5	-50.5	176.5	179.9	-175.6	172.1	173.5	8.4	111.9	E278 Y423 L424 K425 S429 R430 D431	E278-R427 IonicContact OE1-CZ 3.99Å; E278-R427 IonicContact OE1-NH1 2.93Å; E278-R427 PolarHBondContact OE1-NH1 3Å; Y423-R427 PolarHBondContact O-N 3.1Å; L424-R427 WeakPolarHBondContact O-CB 3.36Å; L424-R427 PolarHBondContact O-N 2.71Å; K425-R427 VanDerWaalsContact C-N 3.33Å; R427-S429 VanDerWaalsContact C-N 3.25Å; R427-S429 PolarHBondContact O-N 3.47Å; R427-R430 WeakPolarHBondContact O-CB 3.46Å; R427-R430 PolarHBondContact O-N 2.63Å; R427-D431 IonicContact NE-OD2 3.45Å; R427-D431 PolarHBondContact O-N 2.78Å
428	Q	73.6	Confident	65.2	Low	143 Å²	143	95.7 Å²	95.7	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-58.7	-36.3	177.9	-72.6	172.1	-0.6	0	0	112.6	L424 K425 R430 D431	L424-Q428 WeakPolarHBondContact O-CG 3.43Å; L424-Q428 PolarHBondContact O-N 3.05Å; K425-Q428 PolarHBondContact O-N 3.33Å; Q428-R430 VanDerWaalsContact C-N 3.29Å; Q428-R430 PolarHBondContact O-N 3.32Å; Q428-D431 PolarHBondContact O-N 3.15Å
429	S	64.6	Low	63	Low	89 Å²	89	96.8 Å²	96.8	62%	0.622	51%	0.51	S	S	*	.	H	α-helix	trans	-70.2	-22.3	175.8	69.2	0	0	0	0	114.3	K425 I426 R427	K425-S429 PolarHBondContact O-N 3.11Å; K425-S429 VanDerWaalsContact O-N 3.09Å; I426-S429 WeakPolarHBondContact CA-OG 3.25Å; I426-S429 PolarHBondContact O-N 2.89Å; I426-S429 PolarHBondContact O-OG 3.46Å; R427-S429 VanDerWaalsContact C-N 3.25Å; R427-S429 PolarHBondContact O-N 3.47Å
430	R	60.1	Low	61	Low	165 Å²	165	99.5 Å²	99.5	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-86.4	-30.3	174.8	-70.7	177.1	177	-175.5	-1.4	112	I426 R427 Q428 T432	I426-R430 PolarHBondContact O-N 2.91Å; I426-R430 VanDerWaalsContact O-N 3.17Å; R427-R430 WeakPolarHBondContact O-CB 3.46Å; R427-R430 PolarHBondContact O-N 2.63Å; Q428-R430 VanDerWaalsContact C-N 3.29Å; Q428-R430 PolarHBondContact O-N 3.32Å; R430-T432 VanDerWaalsContact C-N 3.29Å; R430-T432 PolarHBondContact O-N 3.17Å; R430-T432 VanDerWaalsContact O-N 3.1Å
431	D	48.5	Very low	59	Low	102 Å²	102	105.4 Å²	105.4	55%	0.545	57%	0.565	S	S	.	*			trans	-83.2	66.6	174.8	-66.6	-24.4	0	0	0	110.8	R427 Q428	R427-D431 IonicContact NE-OD2 3.45Å; R427-D431 PolarHBondContact O-N 2.78Å; Q428-D431 PolarHBondContact O-N 3.15Å
432	T	34.1	Very low	56.7	Low	107 Å²	107	108.2 Å²	108.2	66%	0.656	57%	0.571	S	S	*	*	S	Bend	trans	-67	145.1	146.8	2.9	0	0	0	0	106.9	R430 I434	R430-T432 VanDerWaalsContact C-N 3.29Å; R430-T432 PolarHBondContact O-N 3.17Å; R430-T432 VanDerWaalsContact O-N 3.1Å; T432-I434 PolarHBondContact O-N 2.82Å
433	P	37.1	Very low	54.7	Low	131 Å²	131	109.8 Å²	109.8	85%	0.851	58%	0.578	S	S	*	*			trans	-68	92.7	-154.5	28	-33.9	0	0	0	111.7
434	I	35.9	Very low	53	Low	143 Å²	143	113 Å²	113	73%	0.733	60%	0.597	S	S	*	*			trans	-86.6	114.3	162.2	-61	174.3	0	0	0	104.9	T432	T432-I434 PolarHBondContact O-N 2.82Å
435	S	30.6	Very low	50.9	Low	94 Å²	94	113.4 Å²	113.4	66%	0.657	61%	0.607	S	S	*	*			trans	-32	138.5	169.1	54.7	0	0	0	0	112.2	S437	S435-S437 VanDerWaalsContact C-N 3.28Å; S435-S437 PolarHBondContact O-N 3.06Å
436	L	39.1	Very low	49.2	Very low	190 Å²	190	108.8 Å²	108.8	100%	0.995	59%	0.588	S	S	*	*			trans	-46.3	90.6	166.8	-84	117.3	0	0	0	110.7
437	S	34	Very low	47.9	Very low	94 Å²	94	112.3 Å²	112.3	66%	0.657	60%	0.598	S	S	*	*			trans	-93.1	130.3	172.3	61.1	0	0	0	0	108.1	S435	S435-S437 VanDerWaalsContact C-N 3.28Å; S435-S437 PolarHBondContact O-N 3.06Å
438	L	43	Very low	47	Very low	160 Å²	160	108.9 Å²	108.9	84%	0.838	60%	0.596	S	S	*	*			trans	-44.7	146.3	169.6	-79.8	129.9	0	0	0	111.1	S440	L438-S440 PolarHBondContact O-N 3.44Å
439	P	44.2	Very low	46.3	Very low	59 Å²	59	106 Å²	106	38%	0.383	59%	0.588	S	S	.	*			trans	-53	130.2	177.1	21.6	-31.6	0	0	0	109.6	L444	P439-L444 HydrophobicContact CG-CD1 4.41Å; P439-L444 HydrophobicContact CG-CG 4.45Å
440	S	47	Very low	46	Very low	61 Å²	61	102.8 Å²	102.8	43%	0.427	56%	0.564	S	S	.	*			trans	-58.1	148.3	-179.8	66.9	0	0	0	0	110.4	L438 R442 Q443 L444	L438-S440 PolarHBondContact O-N 3.44Å; S440-R442 PolarHBondContact O-N 3.2Å; S440-Q443 WeakPolarHBondContact O-CB 3.42Å; S440-Q443 PolarHBondContact O-N 3.35Å; S440-L444 PolarHBondContact O-N 3.01Å
441	V	45.5	Very low	46	Very low	124 Å²	124	100.8 Å²	100.8	75%	0.752	57%	0.565	S	S	*	*	H	α-helix	trans	-50	-31.9	176.9	177.1	0	0	0	0	111.6	L444 A445	V441-L444 PolarHBondContact O-N 3.13Å; V441-A445 WeakPolarHBondContact O-CB 3.3Å; V441-A445 PolarHBondContact O-N 3.36Å
442	R	43.8	Very low	46.6	Very low	163 Å²	163	101.5 Å²	101.5	62%	0.615	57%	0.568	S	S	*	*	H	α-helix	trans	-64.8	-42.7	175.4	-164.6	175.1	-178.8	173.3	2.3	113.2	S440 A445 E446	S440-R442 PolarHBondContact O-N 3.2Å; R442-A445 PolarHBondContact O-N 3Å; R442-E446 IonicContact NE-OE1 3.77Å; R442-E446 WeakPolarHBondContact O-CG 3.43Å; R442-E446 PolarHBondContact O-N 3.3Å
443	Q	46.4	Very low	47.9	Very low	92 Å²	92	98.1 Å²	98.1	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-69.3	-33.5	176.6	-72.4	176	-12.7	0	0	112.5	S440 R447	S440-Q443 WeakPolarHBondContact O-CB 3.42Å; S440-Q443 PolarHBondContact O-N 3.35Å; Q443-R447 WeakPolarHBondContact O-CB 3.24Å; Q443-R447 VanDerWaalsContact O-CG 3.31Å; Q443-R447 WeakPolarHBondContact O-CG 3.18Å; Q443-R447 PolarHBondContact O-N 3.47Å; Q443-R447 VanDerWaalsContact O-N 3.09Å
444	L	49.3	Very low	49	Very low	97 Å²	97	96.2 Å²	96.2	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-40.3	172.6	-78.6	161.9	0	0	0	111.4	P439 S440 V441 R447 G448	P439-L444 HydrophobicContact CG-CD1 4.41Å; P439-L444 HydrophobicContact CG-CG 4.45Å; S440-L444 PolarHBondContact O-N 3.01Å; V441-L444 PolarHBondContact O-N 3.13Å; L444-R447 PolarHBondContact O-N 2.76Å; L444-G448 PolarHBondContact O-N 2.75Å
445	A	44.3	Very low	50.5	Low	54 Å²	54	90.9 Å²	90.9	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-43.4	174.5	0	0	0	0	0	112.1	V441 R442 R447 G448 V449	V441-A445 WeakPolarHBondContact O-CB 3.3Å; V441-A445 PolarHBondContact O-N 3.36Å; R442-A445 PolarHBondContact O-N 3Å; A445-R447 VanDerWaalsContact C-N 3.34Å; A445-R447 PolarHBondContact O-N 3.35Å; A445-G448 PolarHBondContact O-N 2.81Å; A445-V449 WeakPolarHBondContact O-CB 3.4Å; A445-V449 VanDerWaalsContact O-CG2 3.29Å; A445-V449 WeakPolarHBondContact O-CG2 3.19Å; A445-V449 PolarHBondContact O-N 3.49Å
446	E	50.1	Low	52.1	Low	56 Å²	56	90.4 Å²	90.4	26%	0.262	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.2	-76.9	170.2	-161.5	0	0	111.9	R442 L450	R442-E446 IonicContact NE-OE1 3.77Å; R442-E446 WeakPolarHBondContact O-CG 3.43Å; R442-E446 PolarHBondContact O-N 3.3Å; E446-L450 VanDerWaalsContact O-CB 3.31Å; E446-L450 WeakPolarHBondContact O-CB 3.43Å; E446-L450 PolarHBondContact O-N 2.96Å
447	R	57.8	Low	53.2	Low	125 Å²	125	82.2 Å²	82.2	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-43.4	173.8	-76.5	176.8	173.7	-175.2	-0.4	111.9	Q443 L444 A445 L450 L451	Q443-R447 WeakPolarHBondContact O-CB 3.24Å; Q443-R447 VanDerWaalsContact O-CG 3.31Å; Q443-R447 WeakPolarHBondContact O-CG 3.18Å; Q443-R447 PolarHBondContact O-N 3.47Å; Q443-R447 VanDerWaalsContact O-N 3.09Å; L444-R447 PolarHBondContact O-N 2.76Å; A445-R447 VanDerWaalsContact C-N 3.34Å; A445-R447 PolarHBondContact O-N 3.35Å; R447-L450 PolarHBondContact O-N 3.36Å; R447-L451 WeakPolarHBondContact O-CB 3.29Å; R447-L451 VanDerWaalsContact O-CG 3.24Å; R447-L451 WeakPolarHBondContact O-CG 3.08Å; R447-L451 PolarHBondContact O-N 2.84Å
448	G	58.2	Low	54.7	Low	37 Å²	37	82 Å²	82	38%	0.381	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-47.9	178	0	0	0	0	0	112.1	L444 A445 L451 L452	L444-G448 PolarHBondContact O-N 2.75Å; A445-G448 PolarHBondContact O-N 2.81Å; G448-L451 PolarHBondContact O-N 3.04Å; G448-L452 VanDerWaalsContact O-CB 3.27Å; G448-L452 WeakPolarHBondContact O-CB 3.01Å; G448-L452 PolarHBondContact O-N 2.87Å
449	V	59.9	Low	55.8	Low	82 Å²	82	77.9 Å²	77.9	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-44.8	178.1	171.4	0	0	0	0	110.9	A445 L452 L453	A445-V449 WeakPolarHBondContact O-CB 3.4Å; A445-V449 VanDerWaalsContact O-CG2 3.29Å; A445-V449 WeakPolarHBondContact O-CG2 3.19Å; A445-V449 PolarHBondContact O-N 3.49Å; V449-L452 WeakPolarHBondContact O-CB 3.27Å; V449-L452 PolarHBondContact O-N 2.97Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.27Å; V449-L453 WeakPolarHBondContact O-CB 3.43Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 2.62Å
450	L	57.1	Low	56.8	Low	22 Å²	22	80.2 Å²	80.2	12%	0.115	44%	0.439	C	S	.	.	H	α-helix	trans	-65.2	-42.9	179.4	-174.7	67.3	0	0	0	112.4	L281 L383 E446 R447 L452 L453 M454	L281-L450 HydrophobicContact CD1-CD2 3.84Å; L281-L450 HydrophobicContact CD2-CD2 3.63Å; L281-L450 HydrophobicContact CG-CD2 4.34Å; L383-L450 HydrophobicContact CD1-CD1 4.48Å; L383-L450 HydrophobicContact CD1-CD2 4.21Å; E446-L450 VanDerWaalsContact O-CB 3.31Å; E446-L450 WeakPolarHBondContact O-CB 3.43Å; E446-L450 PolarHBondContact O-N 2.96Å; R447-L450 PolarHBondContact O-N 3.36Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.26Å; L450-L453 PolarHBondContact O-N 3.18Å; L450-M454 WeakPolarHBondContact O-CB 3.31Å; L450-M454 WeakPolarHBondContact O-CG 3.32Å; L450-M454 PolarHBondContact O-N 3.18Å
451	L	61.1	Low	57.4	Low	124 Å²	124	80.7 Å²	80.7	65%	0.649	44%	0.437	S	S	*	.	H	α-helix	trans	-64.3	-37.8	174.9	-73	170.5	0	0	0	111.6	R447 G448 G455	R447-L451 WeakPolarHBondContact O-CB 3.29Å; R447-L451 VanDerWaalsContact O-CG 3.24Å; R447-L451 WeakPolarHBondContact O-CG 3.08Å; R447-L451 PolarHBondContact O-N 2.84Å; G448-L451 PolarHBondContact O-N 3.04Å; L451-G455 PolarHBondContact O-N 2.94Å
452	L	60.1	Low	58.3	Low	117 Å²	117	79.2 Å²	79.2	61%	0.613	42%	0.424	S	S	*	.	H	α-helix	trans	-65.5	-40.9	175.5	-155.4	104.2	0	0	0	111.3	G448 V449 L450 G455 L456	G448-L452 VanDerWaalsContact O-CB 3.27Å; G448-L452 WeakPolarHBondContact O-CB 3.01Å; G448-L452 PolarHBondContact O-N 2.87Å; V449-L452 WeakPolarHBondContact O-CB 3.27Å; V449-L452 PolarHBondContact O-N 2.97Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.26Å; L452-G455 PolarHBondContact O-N 3.07Å; L452-L456 HydrophobicContact CD2-CD1 3.85Å; L452-L456 HydrophobicContact CG-CD1 4.25Å; L452-L456 VanDerWaalsContact O-CB 3.29Å; L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 WeakPolarHBondContact O-CD1 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.33Å; L452-L456 PolarHBondContact O-N 3.45Å
453	L	62	Low	59.1	Low	35 Å²	35	75.5 Å²	75.5	18%	0.183	42%	0.415	C	S	.	.	H	α-helix	trans	-70	-40.4	178	-71.4	170.9	0	0	0	112.5	L370 V449 L450 G455 L456 G457	L370-L453 HydrophobicContact CD1-CD1 3.51Å; L370-L453 HydrophobicContact CD1-CD2 3.43Å; L370-L453 VanDerWaalsContact CD1-CD2 3.43Å; L370-L453 HydrophobicContact CD1-CG 3.98Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.27Å; V449-L453 WeakPolarHBondContact O-CB 3.43Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 2.62Å; L450-L453 PolarHBondContact O-N 3.18Å; L453-G455 VanDerWaalsContact C-N 3.34Å; L453-L456 PolarHBondContact O-N 3.24Å; L453-G457 PolarHBondContact O-N 3.31Å
454	M	59.7	Low	59.7	Low	92 Å²	92	79 Å²	79	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-39.7	172.1	-72.1	-173.2	70.7	0	0	111.2	L450 G457 L458	L450-M454 WeakPolarHBondContact O-CB 3.31Å; L450-M454 WeakPolarHBondContact O-CG 3.32Å; L450-M454 PolarHBondContact O-N 3.18Å; M454-G457 PolarHBondContact O-N 2.84Å; M454-L458 WeakPolarHBondContact O-CB 3.47Å; M454-L458 PolarHBondContact O-N 2.74Å
455	G	67.3	Low	60	Low	31 Å²	31	76.9 Å²	76.9	32%	0.32	43%	0.427	S	S	.	.	H	α-helix	trans	-63.9	-45.3	174	0	0	0	0	0	112.6	L451 L452 L453 L458 V459	L451-G455 PolarHBondContact O-N 2.94Å; L452-G455 PolarHBondContact O-N 3.07Å; L453-G455 VanDerWaalsContact C-N 3.34Å; G455-L458 WeakPolarHBondContact O-CB 3.33Å; G455-L458 PolarHBondContact O-N 3.25Å; G455-V459 VanDerWaalsContact O-CG2 3.28Å; G455-V459 WeakPolarHBondContact O-CG2 3.47Å; G455-V459 PolarHBondContact O-N 2.89Å
456	L	65.3	Low	60.3	Low	84 Å²	84	80.5 Å²	80.5	44%	0.44	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-41.6	174.9	-85.5	157.1	0	0	0	111.7	L452 L453 L458 V459 L460	L452-L456 HydrophobicContact CD2-CD1 3.85Å; L452-L456 HydrophobicContact CG-CD1 4.25Å; L452-L456 VanDerWaalsContact O-CB 3.29Å; L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 WeakPolarHBondContact O-CD1 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.33Å; L452-L456 PolarHBondContact O-N 3.45Å; L453-L456 PolarHBondContact O-N 3.24Å; L456-L458 VanDerWaalsContact C-N 3.34Å; L456-V459 PolarHBondContact O-N 3.35Å; L456-L460 WeakPolarHBondContact O-CB 3.14Å; L456-L460 VanDerWaalsContact O-CG 3.26Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.03Å
457	G	60.6	Low	59.9	Low	17 Å²	17	84.6 Å²	84.6	18%	0.175	46%	0.46	C	S	.	.	H	α-helix	trans	-61.9	-41.1	173.6	0	0	0	0	0	112.5	L453 M454 L461	L453-G457 PolarHBondContact O-N 3.31Å; M454-G457 PolarHBondContact O-N 2.84Å; G457-L461 WeakPolarHBondContact O-CB 3.2Å; G457-L461 WeakPolarHBondContact O-CD1 3.46Å; G457-L461 WeakPolarHBondContact O-CG 3.47Å; G457-L461 PolarHBondContact O-N 2.93Å
458	L	65.2	Low	59.2	Low	89 Å²	89	84.9 Å²	84.9	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-65.9	-43.5	175.8	-163.2	79.7	0	0	0	111.7	L359 M454 G455 L456 L461 I462	L359-L458 HydrophobicContact CD1-CD1 4.4Å; M454-L458 WeakPolarHBondContact O-CB 3.47Å; M454-L458 PolarHBondContact O-N 2.74Å; G455-L458 WeakPolarHBondContact O-CB 3.33Å; G455-L458 PolarHBondContact O-N 3.25Å; L456-L458 VanDerWaalsContact C-N 3.34Å; L458-L461 PolarHBondContact O-N 3.2Å; L458-I462 HydrophobicContact CD2-CD1 4.5Å; L458-I462 HydrophobicContact CG-CD1 4.21Å; L458-I462 VanDerWaalsContact O-CG1 3.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.23Å; L458-I462 PolarHBondContact O-N 3.16Å
459	V	67.2	Low	59.2	Low	75 Å²	75	87.3 Å²	87.3	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.3	169.4	0	0	0	0	111	G455 L456 L461 I462 I463	G455-V459 VanDerWaalsContact O-CG2 3.28Å; G455-V459 WeakPolarHBondContact O-CG2 3.47Å; G455-V459 PolarHBondContact O-N 2.89Å; L456-V459 PolarHBondContact O-N 3.35Å; V459-L461 VanDerWaalsContact C-N 3.32Å; V459-L461 PolarHBondContact O-N 3.36Å; V459-I462 PolarHBondContact O-N 2.88Å; V459-I463 HydrophobicContact CG1-CD1 3.71Å; V459-I463 HydrophobicContact CG1-CG1 4.42Å; V459-I463 WeakPolarHBondContact O-CB 3.14Å; V459-I463 VanDerWaalsContact O-CG1 3.23Å; V459-I463 WeakPolarHBondContact O-CG1 3.41Å; V459-I463 PolarHBondContact O-N 3.39Å
460	L	65.7	Low	59.2	Low	108 Å²	108	87.5 Å²	87.5	57%	0.565	49%	0.486	S	S	*	.	H	α-helix	trans	-64.1	-36.6	176.6	-73.7	167.9	0	0	0	112.1	L456 Y464	L456-L460 WeakPolarHBondContact O-CB 3.14Å; L456-L460 VanDerWaalsContact O-CG 3.26Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.03Å; L460-Y464 VanDerWaalsContact O-CB 3.29Å; L460-Y464 WeakPolarHBondContact O-CB 3.41Å; L460-Y464 PolarHBondContact O-N 2.88Å
461	L	58.8	Low	59.3	Low	71 Å²	71	91.2 Å²	91.2	37%	0.372	51%	0.506	S	S	.	.	H	α-helix	trans	-70.5	-37.4	174.9	-79.7	163.8	0	0	0	112.9	L359 G457 L458 V459 Y464 G465	L359-L461 HydrophobicContact CD1-CD1 3.27Å; G457-L461 WeakPolarHBondContact O-CB 3.2Å; G457-L461 WeakPolarHBondContact O-CD1 3.46Å; G457-L461 WeakPolarHBondContact O-CG 3.47Å; G457-L461 PolarHBondContact O-N 2.93Å; L458-L461 PolarHBondContact O-N 3.2Å; V459-L461 VanDerWaalsContact C-N 3.32Å; V459-L461 PolarHBondContact O-N 3.36Å; L461-Y464 PolarHBondContact O-N 2.89Å; L461-G465 PolarHBondContact O-N 2.95Å
462	I	65.6	Low	59.2	Low	93 Å²	93	89.2 Å²	89.2	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-45.6	173.1	-70.1	164.8	0	0	0	109.9	L458 V459 Y464 G465 I466	L458-I462 HydrophobicContact CD2-CD1 4.5Å; L458-I462 HydrophobicContact CG-CD1 4.21Å; L458-I462 VanDerWaalsContact O-CG1 3.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.23Å; L458-I462 PolarHBondContact O-N 3.16Å; V459-I462 PolarHBondContact O-N 2.88Å; I462-Y464 VanDerWaalsContact C-N 3.35Å; I462-Y464 PolarHBondContact O-N 2.84Å; I462-G465 PolarHBondContact O-N 2.97Å; I462-I466 HydrophobicContact CG2-CD1 3.63Å; I462-I466 HydrophobicContact CG2-CG1 4.5Å; I462-I466 WeakPolarHBondContact O-CB 3.36Å; I462-I466 WeakPolarHBondContact O-CD1 3.39Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.08Å
463	I	60.7	Low	59.1	Low	84 Å²	84	87.5 Å²	87.5	43%	0.431	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-44.3	177.2	-69.7	167.2	0	0	0	110.6	V459 I466 L467	V459-I463 HydrophobicContact CG1-CD1 3.71Å; V459-I463 HydrophobicContact CG1-CG1 4.42Å; V459-I463 WeakPolarHBondContact O-CB 3.14Å; V459-I463 VanDerWaalsContact O-CG1 3.23Å; V459-I463 WeakPolarHBondContact O-CG1 3.41Å; V459-I463 PolarHBondContact O-N 3.39Å; I463-I466 PolarHBondContact O-N 2.96Å; I463-L467 HydrophobicContact CG2-CD1 3.67Å; I463-L467 WeakPolarHBondContact O-CB 3.4Å; I463-L467 WeakPolarHBondContact O-CD1 3.41Å; I463-L467 WeakPolarHBondContact O-CG 3.45Å; I463-L467 PolarHBondContact O-N 3.45Å; I463-L467 VanDerWaalsContact O-N 3.16Å
464	Y	58.8	Low	58.9	Low	166 Å²	166	91 Å²	91	65%	0.651	51%	0.511	S	S	*	.	H	α-helix	trans	-68.4	-36.2	179.6	-161.3	-90.5	0	0	0	113	L460 L461 I462 I466 L467 S468	L460-Y464 VanDerWaalsContact O-CB 3.29Å; L460-Y464 WeakPolarHBondContact O-CB 3.41Å; L460-Y464 PolarHBondContact O-N 2.88Å; L461-Y464 PolarHBondContact O-N 2.89Å; I462-Y464 VanDerWaalsContact C-N 3.35Å; I462-Y464 PolarHBondContact O-N 2.84Å; Y464-I466 VanDerWaalsContact C-N 3.33Å; Y464-L467 PolarHBondContact O-N 3.46Å; Y464-S468 PolarHBondContact O-N 3.47Å; Y464-S468 PolarHBondContact O-OG 3.05Å
465	G	55.6	Low	58.9	Low	52 Å²	52	90.9 Å²	90.9	54%	0.536	52%	0.515	S	S	.	.	H	α-helix	trans	-76.4	-14.2	176	0	0	0	0	0	115	L461 I462	L461-G465 PolarHBondContact O-N 2.95Å; I462-G465 PolarHBondContact O-N 2.97Å
466	I	50.6	Low	58.2	Low	131 Å²	131	95.5 Å²	95.5	67%	0.672	53%	0.53	S	S	*	.	H	α-helix	trans	-89.8	-23.5	171.1	-68.8	167	0	0	0	111	I462 I463 Y464	I462-I466 HydrophobicContact CG2-CD1 3.63Å; I462-I466 HydrophobicContact CG2-CG1 4.5Å; I462-I466 WeakPolarHBondContact O-CB 3.36Å; I462-I466 WeakPolarHBondContact O-CD1 3.39Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.08Å; I463-I466 PolarHBondContact O-N 2.96Å; Y464-I466 VanDerWaalsContact C-N 3.33Å
467	L	41.8	Very low	57.7	Low	142 Å²	142	96.5 Å²	96.5	74%	0.743	54%	0.538	S	S	*	.	H	α-helix	trans	-95.7	-5	-178.9	-75.7	163.4	0	0	0	114.3	I463 Y464	I463-L467 HydrophobicContact CG2-CD1 3.67Å; I463-L467 WeakPolarHBondContact O-CB 3.4Å; I463-L467 WeakPolarHBondContact O-CD1 3.41Å; I463-L467 WeakPolarHBondContact O-CG 3.45Å; I463-L467 PolarHBondContact O-N 3.45Å; I463-L467 VanDerWaalsContact O-N 3.16Å; Y464-L467 PolarHBondContact O-N 3.46Å
468	S	41.4	Very low	57.4	Low	130 Å²	130	103.7 Å²	103.7	91%	0.909	57%	0.571	S	S	*	*			trans	-108.7	0	172.6	-51.6	0	0	0	0	109.6	Y464	Y464-S468 PolarHBondContact O-N 3.47Å; Y464-S468 PolarHBondContact O-OG 3.05Å

Retrieved 468 of 468 residues in 462.9 ms (Link to these results)

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