A0A5K4FCN1_SCHMA Loading...

polynucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FCN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 786 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	27.6	Very low	249 Å²	249	143 Å²	143	100%	1.227	82%	0.824	S	S	*	*				0	117.9	0	-68.1	163.9	168.2	0	0	106.6
2	A	29.2	Very low	27.5	Very low	91 Å²	91	147.3 Å²	147.3	75%	0.752	83%	0.826	S	S	*	*			cis	-131	174.9	-9.3	0	0	0	0	0	109.8
3	Q	27.2	Very low	27.2	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	82%	0.821	S	S	*	*			trans	-32.1	134.6	-165	-70.7	140.9	-74.7	0	0	117.6
4	V	24.6	Very low	27.2	Very low	146 Å²	146	147.9 Å²	147.9	89%	0.885	82%	0.823	S	S	*	*			cis	80	125	39.3	-178	0	0	0	0	113.8
5	G	28.3	Very low	27	Very low	69 Å²	69	148.2 Å²	148.2	71%	0.711	82%	0.823	S	S	*	*			trans	118.1	103	-173.9	0	0	0	0	0	110.1
6	S	24.2	Very low	27.2	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	82%	0.823	S	S	*	*			cis	70.8	88.7	20.2	-163.2	0	0	0	0	115.5
7	L	29.3	Very low	27.2	Very low	160 Å²	160	149.8 Å²	149.8	84%	0.838	82%	0.82	S	S	*	*			trans	-173.5	110.1	149	-94	149	0	0	0	105.3
8	H	26.4	Very low	27.3	Very low	164 Å²	164	150.8 Å²	150.8	76%	0.759	82%	0.818	S	S	*	*				66.9	137.6	76.8	-99.8	77	0	0	0	116.4
9	N	29.4	Very low	27.5	Very low	141 Å²	141	152.4 Å²	152.4	75%	0.754	83%	0.826	S	S	*	*			trans	96.3	119.6	161.1	-55.6	-19.3	0	0	0	119.8
10	N	23.2	Very low	27.6	Very low	156 Å²	156	151 Å²	151	83%	0.834	82%	0.816	S	S	*	*			trans	-65.8	-178.5	153.9	-58.4	-29.7	0	0	0	111.2
11	P	31.7	Very low	27.6	Very low	106 Å²	106	151.3 Å²	151.3	69%	0.688	82%	0.818	S	S	*	*			cis	-119.4	-172.5	-31.4	34.4	-18.7	0	0	0	110.5
12	F	26.3	Very low	27.6	Very low	195 Å²	195	148.3 Å²	148.3	86%	0.855	80%	0.8	S	S	*	*				-172.1	142.3	127.1	-109.1	-70	0	0	0	111.7
13	S	22.9	Very low	27.7	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	79%	0.788	S	S	*	*			trans	-87.5	138.2	175.5	-48.3	0	0	0	0	111.1
14	F	27.7	Very low	27.8	Very low	194 Å²	194	146.2 Å²	146.2	85%	0.851	79%	0.793	S	S	*	*			trans	-134.7	111.2	161.1	-102.9	-84.7	0	0	0	109.9
15	N	24.5	Very low	28	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	79%	0.787	S	S	*	*			trans	-76.7	128.9	161.8	-84.5	-15	0	0	0	108.3
16	H	30.5	Very low	28.2	Very low	180 Å²	180	150.1 Å²	150.1	83%	0.833	79%	0.792	S	S	*	*			trans	-155.3	141.9	142	-114.7	-67.1	0	0	0	111.6
17	N	26.4	Very low	28.8	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	78%	0.775	S	S	*	*			trans	-65.5	132.5	-178.4	-57.1	-27.2	0	0	0	111.7
18	H	30.2	Very low	29	Very low	168 Å²	168	146.2 Å²	146.2	78%	0.778	77%	0.768	S	S	*	*			trans	-163	87.6	143.8	-96.7	-51.9	0	0	0	109.9	I20	H18-I20 HydrophobicContact CB-CD1 4.47Å; H18-I20 HydrophobicContact CB-CG1 4.27Å; H18-I20 PolarHBondContact O-N 3.46Å
19	N	29.6	Very low	29.2	Very low	181 Å²	181	142.3 Å²	142.3	97%	0.968	76%	0.759	S	S	*	*			trans	-70.4	110.6	158.1	-88.5	-3.8	0	0	0	107.2
20	I	29.8	Very low	29.7	Very low	123 Å²	123	142.3 Å²	142.3	63%	0.631	76%	0.755	S	S	*	*			trans	-101.5	130.9	176.3	-67.8	172	0	0	0	107.8	H18 H22	H18-I20 HydrophobicContact CB-CD1 4.47Å; H18-I20 HydrophobicContact CB-CG1 4.27Å; H18-I20 PolarHBondContact O-N 3.46Å; I20-H22 PolarHBondContact O-N 3.07Å; I20-H22 VanDerWaalsContact O-N 3.11Å
21	D	28	Very low	30.4	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	74%	0.735	S	S	*	*			trans	-57.6	113.3	172.7	-88.8	-58.7	0	0	0	111.5	G23	D21-G23 PolarHBondContact O-N 2.93Å
22	H	31	Very low	30.5	Very low	186 Å²	186	141 Å²	141	86%	0.861	73%	0.734	S	S	*	*			trans	-79.1	69	166.3	-84.7	-58.7	0	0	0	110.6	I20	I20-H22 PolarHBondContact O-N 3.07Å; I20-H22 VanDerWaalsContact O-N 3.11Å
23	G	29.7	Very low	30.8	Very low	48 Å²	48	139.8 Å²	139.8	50%	0.495	73%	0.731	S	S	.	*			trans	-59.2	161.5	175.7	0	0	0	0	0	114.1	D21 S25	D21-G23 PolarHBondContact O-N 2.93Å; G23-S25 PolarHBondContact O-N 2.8Å; G23-S25 PolarHBondContact O-OG 3.14Å
24	N	29.8	Very low	31.4	Very low	180 Å²	180	140.8 Å²	140.8	96%	0.963	73%	0.727	S	S	*	*			trans	-52.1	104.2	-172.1	-83.3	-50.3	0	0	0	114
25	S	29	Very low	31.7	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	73%	0.729	S	S	*	*			trans	-126.9	18.4	177	43	0	0	0	0	113.2	G23 S27	G23-S25 PolarHBondContact O-N 2.8Å; G23-S25 PolarHBondContact O-OG 3.14Å; S25-S27 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.26Å
26	K	33.7	Very low	32.1	Very low	190 Å²	190	138 Å²	138	83%	0.826	71%	0.714	S	S	*	*	S	Bend	trans	-80.8	79.4	171.5	-75.3	-172	176.1	178.1	0	112
27	S	34.9	Very low	32.1	Very low	58 Å²	58	133.7 Å²	133.7	41%	0.406	70%	0.702	S	S	.	*			trans	33.9	104.6	155.1	64.4	0	0	0	0	118.3	S25 S29 Q30	S25-S27 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.26Å; S27-S29 PolarHBondContact O-N 3.39Å; S27-Q30 PolarHBondContact O-N 3.24Å
28	L	33.4	Very low	32.5	Very low	129 Å²	129	135.6 Å²	135.6	68%	0.675	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-55.8	-17.6	171	-68	167.5	0	0	0	114.4	Q30 I31	L28-Q30 PolarHBondContact O-N 3.31Å; L28-I31 HydrophobicContact CB-CD1 4.44Å; L28-I31 HydrophobicContact CD2-CD1 3.76Å; L28-I31 WeakPolarHBondContact O-CB 3.48Å; L28-I31 WeakPolarHBondContact O-CG1 3.31Å; L28-I31 PolarHBondContact O-N 2.91Å
29	S	32	Very low	32.6	Very low	83 Å²	83	131.8 Å²	131.8	58%	0.58	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-63	-20.9	176.8	52.1	0	0	0	0	114.3	S27 I31	S27-S29 PolarHBondContact O-N 3.39Å; S29-I31 PolarHBondContact O-N 3.02Å
30	Q	39	Very low	32.5	Very low	141 Å²	141	129.8 Å²	129.8	66%	0.659	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-72.9	-8.4	175.7	-69.7	-169.8	-18.6	0	0	114	S27 L28 F32	S27-Q30 PolarHBondContact O-N 3.24Å; L28-Q30 PolarHBondContact O-N 3.31Å; Q30-F32 VanDerWaalsContact C-N 3.26Å; Q30-F32 PolarHBondContact O-N 2.96Å
31	I	37.8	Very low	32.3	Very low	84 Å²	84	130 Å²	130	43%	0.431	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-69.2	-23.6	177.9	-64.8	173.2	0	0	0	112	L28 S29	L28-I31 HydrophobicContact CB-CD1 4.44Å; L28-I31 HydrophobicContact CD2-CD1 3.76Å; L28-I31 WeakPolarHBondContact O-CB 3.48Å; L28-I31 WeakPolarHBondContact O-CG1 3.31Å; L28-I31 PolarHBondContact O-N 2.91Å; S29-I31 PolarHBondContact O-N 3.02Å
32	F	35.3	Very low	32.3	Very low	150 Å²	150	127.3 Å²	127.3	66%	0.658	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-91.9	-0.2	-168.7	-76.6	-84.3	0	0	0	116.4	Q30 Y664	Q30-F32 VanDerWaalsContact C-N 3.26Å; Q30-F32 PolarHBondContact O-N 2.96Å; F32-Y664 HydrophobicContact CZ-CE1 4.49Å; F32-Y664 WeakPolarHBondContact CZ-OH 3.46Å
33	H	32.4	Very low	32.2	Very low	170 Å²	170	124.7 Å²	124.7	79%	0.787	68%	0.677	S	S	*	*			trans	-102.6	14.4	-166.3	-97.3	-65.5	0	0	0	117.2
34	L	35.4	Very low	32.2	Very low	128 Å²	128	130.7 Å²	130.7	67%	0.67	69%	0.692	S	S	*	*			trans	-107.6	100.5	170.2	-73.2	172.6	0	0	0	111.1	L36	L34-L36 PolarHBondContact O-N 2.94Å; L34-L36 VanDerWaalsContact O-N 3.09Å
35	Q	32.8	Very low	32.4	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	68%	0.683	S	S	*	*			trans	-68.2	100.4	158.7	-79.3	176.9	-108	0	0	108.5
36	L	33.7	Very low	32.3	Very low	95 Å²	95	129.3 Å²	129.3	50%	0.497	68%	0.683	S	S	.	*			trans	-53.8	133.1	158.3	-89.8	154.6	0	0	0	108.4	L34 E38 Y630	L34-L36 PolarHBondContact O-N 2.94Å; L34-L36 VanDerWaalsContact O-N 3.09Å; L36-E38 PolarHBondContact O-N 2.97Å; L36-Y630 HydrophobicContact CD2-CE2 4.2Å
37	P	31.3	Very low	32.3	Very low	90 Å²	90	131.3 Å²	131.3	58%	0.584	69%	0.686	S	S	*	*			trans	-58.8	133.1	174.7	-23.6	34	0	0	0	110.8	L39	P37-L39 VanDerWaalsContact C-N 3.32Å; P37-L39 PolarHBondContact O-N 3.11Å
38	E	33.1	Very low	32.2	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	71%	0.705	S	S	*	*			trans	-67.4	92.7	169	-69.5	-170.9	145	0	0	108.9	L36 I40	L36-E38 PolarHBondContact O-N 2.97Å; E38-I40 VanDerWaalsContact C-N 3.29Å; E38-I40 PolarHBondContact O-N 3.13Å
39	L	32.3	Very low	32.1	Very low	89 Å²	89	133 Å²	133	47%	0.466	71%	0.714	S	S	.	*			trans	-73.7	84.2	177.3	-83.2	168	0	0	0	110.3	P37 T41 N650	P37-L39 VanDerWaalsContact C-N 3.32Å; P37-L39 PolarHBondContact O-N 3.11Å; L39-T41 PolarHBondContact O-N 3.23Å; L39-T41 VanDerWaalsContact O-N 3.09Å; L39-N650 WeakPolarHBondContact CD1-OD1 3.41Å
40	I	28.3	Very low	32.2	Very low	139 Å²	139	134 Å²	134	71%	0.713	73%	0.728	S	S	*	*			trans	-59.4	109.5	176.5	-62.3	171.4	0	0	0	109.9	E38 S42	E38-I40 VanDerWaalsContact C-N 3.29Å; E38-I40 PolarHBondContact O-N 3.13Å; I40-S42 PolarHBondContact O-N 3.38Å
41	T	26.2	Very low	31.8	Very low	127 Å²	127	133 Å²	133	78%	0.779	74%	0.737	S	S	*	*			trans	-68.8	120.6	173.7	-28.9	0	0	0	0	110	L39	L39-T41 PolarHBondContact O-N 3.23Å; L39-T41 VanDerWaalsContact O-N 3.09Å
42	S	27.8	Very low	31.7	Very low	102 Å²	102	135 Å²	135	71%	0.713	76%	0.758	S	S	*	*			trans	-152.2	62	179.6	-79	0	0	0	0	113.5	I40 Q44	I40-S42 PolarHBondContact O-N 3.38Å; S42-Q44 PolarHBondContact O-N 2.65Å
43	T	29.1	Very low	31.4	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	77%	0.765	S	S	*	*			trans	-83.8	82.6	168.6	35.9	0	0	0	0	111.6
44	Q	29	Very low	31.4	Very low	173 Å²	173	130.6 Å²	130.6	81%	0.808	77%	0.769	S	S	*	*			trans	-116.2	93.6	158.6	-76.9	-158.5	-12	0	0	110.6	S42 S46	S42-Q44 PolarHBondContact O-N 2.65Å; Q44-S46 PolarHBondContact O-N 2.71Å; Q44-S46 VanDerWaalsContact O-N 3.15Å
45	I	33	Very low	31.3	Very low	151 Å²	151	130 Å²	130	77%	0.774	77%	0.773	S	S	*	*			trans	-77.9	95.1	165.2	-60.9	179.5	0	0	0	107.5	R47	I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 HydrophobicContact CG2-CG 4.24Å; I45-R47 PolarHBondContact O-N 3.41Å
46	S	27.8	Very low	31.2	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	76%	0.762	S	S	*	*			trans	-69.1	78.1	174.9	-61.2	0	0	0	0	111.7	Q44 S48	Q44-S46 PolarHBondContact O-N 2.71Å; Q44-S46 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact O-N 3.26Å
47	R	33.7	Very low	31.3	Very low	232 Å²	232	128.2 Å²	128.2	88%	0.875	78%	0.778	S	S	*	*			trans	-74.1	107	162.8	-81.1	-172.5	177.4	179.9	1	108.9	I45 A49	I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 HydrophobicContact CG2-CG 4.24Å; I45-R47 PolarHBondContact O-N 3.41Å; R47-A49 PolarHBondContact O-N 3.35Å
48	S	33.1	Very low	31.4	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	79%	0.786	S	S	*	*			trans	-57.3	126.1	173.8	48.9	0	0	0	0	110.9	S46	S46-S48 PolarHBondContact O-N 3.26Å
49	A	31	Very low	31.5	Very low	105 Å²	105	127 Å²	127	87%	0.868	78%	0.781	S	S	*	*			trans	-71.5	133.5	174.9	0	0	0	0	0	111.2	R47	R47-A49 PolarHBondContact O-N 3.35Å
50	A	34	Very low	31.4	Very low	104 Å²	104	126 Å²	126	86%	0.86	79%	0.791	S	S	*	*			trans	-118.9	127.4	155.9	0	0	0	0	0	106.7
51	S	31.1	Very low	31.6	Very low	122 Å²	122	127.1 Å²	127.1	85%	0.853	80%	0.797	S	S	*	*			trans	-90.3	132.6	-165.1	55.5	0	0	0	0	113.6
52	S	34.3	Very low	31.8	Very low	126 Å²	126	128.2 Å²	128.2	88%	0.881	79%	0.794	S	S	*	*			trans	-138.9	150.3	135.1	64.7	0	0	0	0	108.7
53	A	30.7	Very low	31.9	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	79%	0.794	S	S	*	*			trans	-132.8	135.7	-177.7	0	0	0	0	0	109.8
54	C	31.2	Very low	31.8	Very low	131 Å²	131	131.2 Å²	131.2	89%	0.885	79%	0.786	S	S	*	*			trans	-149.6	125.8	157.3	-88.9	0	0	0	0	107.3
55	P	32.9	Very low	31.8	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	77%	0.771	S	S	*	*			trans	-97.5	-177.8	178	39.5	-35.4	0	0	0	112.2
56	S	31.4	Very low	31.4	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	76%	0.761	S	S	*	*			trans	63.4	148.2	165.2	49	0	0	0	0	117.6
57	D	35.4	Very low	31.4	Very low	157 Å²	157	125.4 Å²	125.4	84%	0.84	75%	0.753	S	S	*	*			cis	-158.1	-171.2	-20.4	-89.1	-31.6	0	0	0	105
58	D	33.7	Very low	31	Very low	140 Å²	140	116.9 Å²	116.9	75%	0.749	73%	0.729	S	S	*	*			cis	-155.1	165.1	12.6	-177.3	28.1	0	0	0	110.1
59	S	35.4	Very low	30.8	Very low	107 Å²	107	117.4 Å²	117.4	75%	0.748	73%	0.729	S	S	*	*			trans	69.5	140.6	158.3	77	0	0	0	0	118.9
60	G	30.9	Very low	30.6	Very low	67 Å²	67	116.6 Å²	116.6	69%	0.691	72%	0.717	S	S	*	*			cis	168	177.3	-8.6	0	0	0	0	0	113.9
61	I	32.4	Very low	30.3	Very low	163 Å²	163	115.3 Å²	115.3	84%	0.836	70%	0.702	S	S	*	*			trans	74.3	107.6	167.2	-56.9	177.7	0	0	0	117
62	E	29.2	Very low	30.4	Very low	151 Å²	151	115.5 Å²	115.5	71%	0.706	70%	0.7	S	S	*	*			trans	-56.9	151.1	165.2	-39.8	161.2	129.9	0	0	113.1
63	R	31.3	Very low	30.1	Very low	191 Å²	191	116.8 Å²	116.8	72%	0.721	69%	0.691	S	S	*	*				-169.1	124.9	99.8	-99.7	166.3	-166.9	86	4.9	114.3
64	T	25.6	Very low	30.3	Very low	105 Å²	105	117 Å²	117	64%	0.644	68%	0.684	S	S	*	*			trans	-15.4	132.2	154.2	-47.9	0	0	0	0	116.9	Q431	T64-Q431 PolarHBondContact O-NE2 3.41Å
65	L	28.9	Very low	30.4	Very low	93 Å²	93	119.4 Å²	119.4	49%	0.487	68%	0.682	S	S	.	*				-150.1	147.1	127.6	-80.7	-163.3	0	0	0	113.6	I430 Q431	L65-I430 HydrophobicContact CB-CG2 4.29Å; L65-I430 HydrophobicContact CD1-CG2 4.25Å; L65-I430 HydrophobicContact CD2-CG2 3.22Å; L65-I430 HydrophobicContact CG-CG2 4.1Å; L65-Q431 HydrophobicContact CD1-CB 3.93Å; L65-Q431 HydrophobicContact CD1-CG 4.37Å; L65-Q431 HydrophobicContact CD2-CB 3.75Å; L65-Q431 HydrophobicContact CD2-CG 3.44Å; L65-Q431 VanDerWaalsContact CD2-CG 3.44Å; L65-Q431 HydrophobicContact CG-CB 4.37Å; L65-Q431 HydrophobicContact CG-CG 4.28Å
66	N	25.3	Very low	30.2	Very low	107 Å²	107	120.5 Å²	120.5	57%	0.572	68%	0.682	S	S	*	*			trans	-98.8	141.3	163.4	-43.1	-84.2	0	0	0	109.2	I430	N66-I430 HydrophobicContact CB-CD1 3.98Å; N66-I430 VanDerWaalsContact O-CG2 3.28Å; N66-I430 WeakPolarHBondContact O-CG2 3.39Å
67	L	28	Very low	30.2	Very low	110 Å²	110	121.7 Å²	121.7	58%	0.576	69%	0.685	S	S	*	*			trans	-138.7	152.3	142.8	-77.4	-176.8	0	0	0	109.1	M427 I430	L67-M427 HydrophobicContact CB-CE 4.23Å; L67-M427 HydrophobicContact CB-SD 4.08Å; L67-M427 HydrophobicContact CD2-SD 4.12Å; L67-I430 HydrophobicContact CD2-CB 4.33Å
68	S	25.9	Very low	29.9	Very low	53 Å²	53	120 Å²	120	37%	0.371	68%	0.676	S	S	.	*			trans	-90	-172	-164.1	-33	0	0	0	0	111.9	A426 M427	S68-A426 PolarHBondContact OG-O 2.91Å; S68-M427 WeakPolarHBondContact CB-SD 3.29Å; S68-M427 PolarHBondContact N-SD 3.14Å; S68-M427 WeakPolarHBondContact O-CE 3.42Å
69	P	28.4	Very low	29.9	Very low	127 Å²	127	116.9 Å²	116.9	83%	0.825	67%	0.665	S	S	*	*			trans	-85.2	121.9	-175.1	32.3	-31.6	0	0	0	112.9
70	S	26.4	Very low	29.6	Very low	88 Å²	88	119.7 Å²	119.7	62%	0.615	67%	0.672	S	S	*	*			trans	-135.7	120.1	168.5	54.4	0	0	0	0	110.5	M427	S70-M427 WeakPolarHBondContact OG-CE 3.48Å
71	S	27.3	Very low	29.7	Very low	77 Å²	77	123.5 Å²	123.5	54%	0.538	68%	0.676	S	S	.	*			trans	-10	118.4	-174	59.9	0	0	0	0	119.3
72	P	33.2	Very low	29.5	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-71.7	136.4	154.1	-7.2	24.6	0	0	0	110.4
73	F	29.3	Very low	29.6	Very low	154 Å²	154	122.7 Å²	122.7	68%	0.675	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-69.5	145.7	153.6	-77.4	-110.4	0	0	0	108.2	E75	F73-E75 PolarHBondContact O-N 3.39Å
74	P	34.2	Very low	29.4	Very low	101 Å²	101	118.8 Å²	118.8	66%	0.656	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.9	130.3	160.8	-15.6	30.4	0	0	0	108.7
75	E	33.3	Very low	29.4	Very low	181 Å²	181	123.4 Å²	123.4	85%	0.846	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-70	145.6	-167.3	-64.1	171.9	123.2	0	0	113.2	F73 T77	F73-E75 PolarHBondContact O-N 3.39Å; E75-T77 PolarHBondContact O-N 2.97Å
76	D	28.4	Very low	29.4	Very low	136 Å²	136	126.6 Å²	126.6	73%	0.727	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.5	174.1	-81.9	-57.5	0	0	0	110.4
77	T	31.3	Very low	29.4	Very low	121 Å²	121	126.3 Å²	126.3	74%	0.742	72%	0.721	S	S	*	*			trans	-130	141.5	165.4	34.2	0	0	0	0	110.7	E75	E75-T77 PolarHBondContact O-N 2.97Å
78	D	29.9	Very low	29.4	Very low	122 Å²	122	131.3 Å²	131.3	65%	0.652	74%	0.739	S	S	*	*	S	Bend	trans	66.6	76.4	173.2	-53.5	-11.3	0	0	0	117.9	K459	D78-K459 PolarHBondContact O-NZ 2.83Å
79	S	33.8	Very low	29.5	Very low	75 Å²	75	135.5 Å²	135.5	52%	0.524	76%	0.757	S	S	.	*				-174.5	124.2	120.5	59.9	0	0	0	0	111.6	F460	S79-F460 WeakPolarHBondContact CB-O 3.35Å
80	D	29.3	Very low	29.5	Very low	165 Å²	165	135.5 Å²	135.5	88%	0.882	75%	0.754	S	S	*	*			trans	-66.6	131.3	165.8	-62.7	-79.2	0	0	0	111
81	D	33.1	Very low	29.6	Very low	148 Å²	148	141.7 Å²	141.7	79%	0.791	76%	0.764	S	S	*	*			trans	-158.2	113.9	154.6	-119.9	-27.3	0	0	0	109.3
82	A	27.1	Very low	29.5	Very low	95 Å²	95	149.2 Å²	149.2	79%	0.785	78%	0.78	S	S	*	*			trans	-110	130.9	-172.8	0	0	0	0	0	111.8
83	Q	32.8	Very low	29.3	Very low	202 Å²	202	148.8 Å²	148.8	94%	0.944	78%	0.781	S	S	*	*			trans	-138.7	141.9	146	-75.5	-153.2	-2.7	0	0	111.2
84	S	25.6	Very low	29.1	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	79%	0.791	S	S	*	*			trans	-91.3	154.5	-174.1	52.2	0	0	0	0	112.4
85	F	25.9	Very low	29	Very low	202 Å²	202	149.4 Å²	149.4	89%	0.886	80%	0.801	S	S	*	*			trans	-149.4	142.2	148.4	-112.6	-76.8	0	0	0	111.5
86	I	30.2	Very low	28.6	Very low	161 Å²	161	149.3 Å²	149.3	83%	0.826	80%	0.8	S	S	*	*			trans	75.4	122.2	173.2	-49.6	170	0	0	0	115.4
87	S	24.2	Very low	28.6	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	81%	0.81	S	S	*	*			trans	-86.1	156.1	-175.9	-38.9	0	0	0	0	113.6
88	F	29.1	Very low	28.4	Very low	215 Å²	215	153.2 Å²	153.2	94%	0.943	81%	0.81	S	S	*	*				-157.6	140.9	120.8	-113.7	-76.5	0	0	0	111
89	D	26.2	Very low	28.2	Very low	141 Å²	141	153.8 Å²	153.8	75%	0.754	81%	0.811	S	S	*	*			trans	-78.1	151.8	-177	-101.2	-73.1	0	0	0	113.7
90	V	29.7	Very low	28.1	Very low	127 Å²	127	155.9 Å²	155.9	77%	0.77	82%	0.822	S	S	*	*				-173.1	111.6	115.4	157.4	0	0	0	0	111.6
91	R	27.7	Very low	28	Very low	218 Å²	218	155.4 Å²	155.4	82%	0.823	82%	0.815	S	S	*	*			trans	31.2	112.2	142.6	-54.9	178	-171.7	-179.8	3.6	118.6
92	R	25.8	Very low	27.9	Very low	234 Å²	234	157.8 Å²	157.8	88%	0.883	82%	0.821	S	S	*	*				83.9	114.1	64.6	-178.6	-157.6	-128.8	-158.4	5.9	114.4
93	S	29.6	Very low	28	Very low	118 Å²	118	158.5 Å²	158.5	83%	0.825	82%	0.817	S	S	*	*			trans	-168.5	132.3	131.1	-81.3	0	0	0	0	111.4
94	T	25.2	Very low	27.9	Very low	144 Å²	144	157.7 Å²	157.7	88%	0.883	82%	0.818	S	S	*	*			trans	-135.7	147.9	175.3	45.9	0	0	0	0	110.1
95	S	31.4	Very low	28	Very low	124 Å²	124	162 Å²	162	87%	0.867	82%	0.824	S	S	*	*			trans	-145.4	115.4	168.4	43.1	0	0	0	0	110.3
96	Q	24.8	Very low	28.2	Very low	179 Å²	179	161 Å²	161	84%	0.836	83%	0.827	S	S	*	*			trans	-91	156.8	169.1	-66.9	175.7	-22.4	0	0	110
97	L	28.3	Very low	28.1	Very low	179 Å²	179	156.6 Å²	156.6	94%	0.937	82%	0.821	S	S	*	*			trans	-155.1	161	152	-107	165.3	0	0	0	109.2
98	Q	25.9	Very low	28.3	Very low	159 Å²	159	157.7 Å²	157.7	74%	0.743	83%	0.826	S	S	*	*			trans	-143.4	143.6	-147.8	-116.5	-169	-27.4	0	0	115.4
99	M	26.6	Very low	28.2	Very low	135 Å²	135	153.8 Å²	153.8	67%	0.665	82%	0.824	S	S	*	*			trans	64.8	176.1	150.5	-55.4	-59.6	-81.7	0	0	118.1
100	P	31.5	Very low	28.2	Very low	118 Å²	118	155.7 Å²	155.7	77%	0.766	83%	0.828	S	S	*	*			cis	-127.9	-176.8	-17.1	15.6	10.4	0	0	0	115.9
101	H	28	Very low	28.2	Very low	156 Å²	156	160.1 Å²	160.1	72%	0.722	84%	0.837	S	S	*	*			trans	-63.6	164	-178.8	-44.8	-99.4	0	0	0	118.6
102	H	29.7	Very low	28.1	Very low	197 Å²	197	153.1 Å²	153.1	91%	0.912	83%	0.832	S	S	*	*			trans	-156.8	135	139.9	-98	-68.1	0	0	0	112.8
103	P	31	Very low	28.1	Very low	110 Å²	110	148 Å²	148	71%	0.714	83%	0.832	S	S	*	*			trans	-117.4	158.6	173.6	39.5	-30.4	0	0	0	114.2
104	L	30.3	Very low	28	Very low	185 Å²	185	146.5 Å²	146.5	97%	0.969	83%	0.827	S	S	*	*			trans	-141.1	160.3	168.2	-78.7	-179.9	0	0	0	112.7
105	K	26.6	Very low	28	Very low	200 Å²	200	145.8 Å²	145.8	87%	0.87	82%	0.822	S	S	*	*			trans	-147.1	140.1	-164.9	-166.2	-179.9	-170.8	179.7	0	109.6
106	L	30.3	Very low	28	Very low	180 Å²	180	147.1 Å²	147.1	94%	0.942	82%	0.82	S	S	*	*			trans	-146.6	164.3	170	-137.8	73	0	0	0	111.9
107	G	27.8	Very low	28	Very low	69 Å²	69	150.2 Å²	150.2	71%	0.711	83%	0.825	S	S	*	*			trans	-97.8	-178.4	-156.3	0	0	0	0	0	118.5
108	P	29.5	Very low	28.1	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	82%	0.816	S	S	*	*			trans	-102.6	164.5	-164.4	39.4	-35.8	0	0	0	115.3
109	C	26.9	Very low	28.3	Very low	133 Å²	133	148.2 Å²	148.2	90%	0.899	82%	0.819	S	S	*	*			trans	-138.5	131.6	167.2	-66.6	0	0	0	0	110.2
110	H	26.2	Very low	28.5	Very low	181 Å²	181	147 Å²	147	84%	0.838	82%	0.824	S	S	*	*			trans	-94.4	143.3	167.4	-70	-80.8	0	0	0	110.3
111	F	29.5	Very low	28.3	Very low	220 Å²	220	146.2 Å²	146.2	97%	0.965	83%	0.827	S	S	*	*				-168.7	145.4	122.5	-108.1	-73.6	0	0	0	108.9
112	G	25	Very low	28.6	Very low	70 Å²	70	149.7 Å²	149.7	72%	0.722	83%	0.834	S	S	*	*			trans	-104.9	-167.7	-161	0	0	0	0	0	117.1
113	S	25.8	Very low	28.7	Very low	127 Å²	127	148.9 Å²	148.9	89%	0.888	84%	0.836	S	S	*	*			trans	98.7	144.2	174.7	-157.5	0	0	0	0	117.1
114	A	27.1	Very low	28.6	Very low	86 Å²	86	148.9 Å²	148.9	71%	0.711	84%	0.839	S	S	*	*			trans	66.8	94.3	169.3	0	0	0	0	0	120
115	V	25.9	Very low	28.7	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	83%	0.827	S	S	*	*			trans	32.5	108	134.2	-165.6	0	0	0	0	118.8
116	N	30.6	Very low	28.9	Very low	153 Å²	153	142.5 Å²	142.5	82%	0.818	83%	0.828	S	S	*	*				-178.9	141.2	124.3	-92.8	-41.7	0	0	0	110.8
117	Y	25.2	Very low	28.9	Very low	243 Å²	243	137.7 Å²	137.7	95%	0.953	82%	0.822	S	S	*	*			trans	-101.2	112.2	177.8	-121.9	-92	0	0	0	109.8
118	V	31.7	Very low	29.1	Very low	122 Å²	122	140.2 Å²	140.2	74%	0.739	82%	0.824	S	S	*	*			trans	-136.4	111.5	173.2	-179.1	0	0	0	0	110.4
119	E	28.3	Very low	29.1	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	83%	0.832	S	S	*	*			trans	21.6	119.7	143.3	-165.5	165.7	-144.6	0	0	119.7
120	S	32	Very low	29.4	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	82%	0.816	S	S	*	*			trans	-157.9	68.9	161.3	-83.2	0	0	0	0	112.1	R122	S120-R122 PolarHBondContact O-N 2.68Å
121	A	27.7	Very low	29.7	Very low	101 Å²	101	133.8 Å²	133.8	84%	0.835	81%	0.812	S	S	*	*			trans	-70.1	122.2	166.3	0	0	0	0	0	109.9
122	R	34.5	Very low	29.8	Very low	229 Å²	229	129.7 Å²	129.7	86%	0.864	81%	0.805	S	S	*	*			trans	-125.9	126.5	170.9	-76.1	-169.9	174.3	-174.9	-0.5	111.3	S120	S120-R122 PolarHBondContact O-N 2.68Å
123	L	30.2	Very low	30.4	Very low	180 Å²	180	131.4 Å²	131.4	94%	0.942	80%	0.801	S	S	*	*			trans	-42.6	137.3	-175.3	-65	143.4	0	0	0	114
124	S	30.2	Very low	30.7	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	80%	0.796	S	S	*	*			trans	-127.7	155.1	159.6	-71.4	0	0	0	0	109.3
125	P	30.9	Very low	30.8	Very low	113 Å²	113	135.9 Å²	135.9	73%	0.734	80%	0.797	S	S	*	*			trans	-72.9	157.5	-169.7	-17.1	32.4	0	0	0	113.7
126	P	31	Very low	31.1	Very low	137 Å²	137	136.6 Å²	136.6	89%	0.89	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	139.6	169.5	30.3	-34.6	0	0	0	110.7
127	G	30.9	Very low	31.1	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.7	-7.7	169.4	0	0	0	0	0	117.3
128	T	32.6	Very low	31.4	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	79%	0.791	S	S	*	*			trans	-125.7	92.1	-175.2	-47.8	0	0	0	0	112.6	A130	T128-A130 HydrophobicContact CG2-CB 3.89Å; T128-A130 PolarHBondContact O-N 2.82Å
129	C	29.6	Very low	31.6	Very low	142 Å²	142	137.2 Å²	137.2	96%	0.959	79%	0.791	S	S	*	*			trans	-78.1	49.2	170.6	-68.3	0	0	0	0	112.4	A131	C129-A131 PolarHBondContact O-N 2.92Å
130	A	31.5	Very low	31.8	Very low	70 Å²	70	136.3 Å²	136.3	58%	0.579	79%	0.79	S	S	*	*			trans	-78.9	105.4	166	0	0	0	0	0	108	T128 V132	T128-A130 HydrophobicContact CG2-CB 3.89Å; T128-A130 PolarHBondContact O-N 2.82Å; A130-V132 PolarHBondContact O-N 3.42Å; A130-V132 VanDerWaalsContact O-N 3.08Å
131	A	34.5	Very low	31.6	Very low	90 Å²	90	135.6 Å²	135.6	74%	0.744	79%	0.79	S	S	*	*			trans	-61.9	112.9	166.6	0	0	0	0	0	108	C129 V133	C129-A131 PolarHBondContact O-N 2.92Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.24Å
132	V	30	Very low	31.8	Very low	134 Å²	134	135.5 Å²	135.5	81%	0.812	78%	0.784	S	S	*	*			trans	-68.1	98	172.4	178.7	0	0	0	0	107.2	A130 E134	A130-V132 PolarHBondContact O-N 3.42Å; A130-V132 VanDerWaalsContact O-N 3.08Å; V132-E134 PolarHBondContact O-N 3.45Å
133	V	38	Very low	31.7	Very low	106 Å²	106	130.2 Å²	130.2	64%	0.642	78%	0.779	S	S	*	*			trans	-65.6	118.8	164.1	-179.8	0	0	0	0	106.3	A131 D135	A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 3.24Å; V133-D135 PolarHBondContact O-N 3.2Å; V133-D135 VanDerWaalsContact O-N 3.1Å
134	E	32.1	Very low	31.6	Very low	168 Å²	168	133 Å²	133	79%	0.785	78%	0.777	S	S	*	*			trans	-71	103.7	166.2	-71.1	-168.7	123	0	0	107.9	V132 N136	V132-E134 PolarHBondContact O-N 3.45Å; E134-N136 PolarHBondContact O-N 2.89Å
135	D	30	Very low	31.8	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	55.6	177.4	-74.2	-39	0	0	0	112.5	V133	V133-D135 PolarHBondContact O-N 3.2Å; V133-D135 VanDerWaalsContact O-N 3.1Å
136	N	31.3	Very low	31.8	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	11.9	-177.3	-87.8	-56.5	0	0	0	114	E134	E134-N136 PolarHBondContact O-N 2.89Å
137	Y	31.5	Very low	32	Very low	214 Å²	214	136.1 Å²	136.1	84%	0.839	77%	0.77	S	S	*	*			trans	-120.9	63.6	170.6	-131.1	-91.6	0	0	0	113	P139	Y137-P139 WeakPolarHBondContact O-CD 3.42Å
138	Y	30.1	Very low	32	Very low	204 Å²	204	137.7 Å²	137.7	80%	0.8	77%	0.766	S	S	*	*			trans	-53.6	124.9	154.1	-81	-91.8	0	0	0	108.4	I140	Y138-I140 PolarHBondContact O-N 2.77Å
139	P	36	Very low	32.1	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	77%	0.772	S	S	*	*			trans	-65.7	104.7	169.8	26.9	-32.1	0	0	0	108	Y137 A141	Y137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-A141 PolarHBondContact O-N 3.1Å
140	I	32.6	Very low	32.9	Very low	156 Å²	156	140.7 Å²	140.7	80%	0.8	76%	0.762	S	S	*	*			trans	-49.6	127.2	172.7	-64.4	174.9	0	0	0	107.4	Y138 S142	Y138-I140 PolarHBondContact O-N 2.77Å; I140-S142 VanDerWaalsContact C-N 3.33Å; I140-S142 PolarHBondContact O-N 3.34Å
141	A	29.4	Very low	33.5	Very low	94 Å²	94	146.7 Å²	146.7	78%	0.777	78%	0.775	S	S	*	*			trans	-62	90.9	-171.4	0	0	0	0	0	111.3	P139	P139-A141 PolarHBondContact O-N 3.1Å
142	S	30.5	Very low	34.7	Very low	99 Å²	99	148 Å²	148	69%	0.692	78%	0.779	S	S	*	*			trans	-60.7	128.4	-176.4	-172	0	0	0	0	109.8	I140 R144	I140-S142 VanDerWaalsContact C-N 3.33Å; I140-S142 PolarHBondContact O-N 3.34Å; S142-R144 PolarHBondContact O-N 3.46Å
143	P	32.4	Very low	36.6	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	75%	0.751	S	S	*	*			trans	-70.3	99.4	-163.1	26.3	-35.3	0	0	0	112.1	S145	P143-S145 VanDerWaalsContact C-N 3.33Å; P143-S145 PolarHBondContact O-N 3.43Å
144	R	29.3	Very low	39.2	Very low	237 Å²	237	142.6 Å²	142.6	89%	0.894	75%	0.747	S	S	*	*			trans	38.1	54	164.8	-66.9	-174.8	175.6	178.2	-0.9	114.7	S142 N146	S142-R144 PolarHBondContact O-N 3.46Å; R144-N146 PolarHBondContact O-N 3.18Å
145	S	33.5	Very low	42.2	Very low	93 Å²	93	138.7 Å²	138.7	65%	0.65	73%	0.725	S	S	*	*			trans	-63.6	118.4	163.1	-178.2	0	0	0	0	108.7	P143 K147	P143-S145 VanDerWaalsContact C-N 3.33Å; P143-S145 PolarHBondContact O-N 3.43Å; S145-K147 PolarHBondContact O-N 3.48Å
146	N	31.7	Very low	45.4	Very low	155 Å²	155	136 Å²	136	83%	0.829	71%	0.707	S	S	*	*			trans	-73.8	59.8	176.4	-73.8	-30.5	0	0	0	111	R144 P148	R144-N146 PolarHBondContact O-N 3.18Å; N146-P148 WeakPolarHBondContact O-CD 3.28Å
147	K	33.8	Very low	48.6	Very low	180 Å²	180	132.8 Å²	132.8	78%	0.783	69%	0.687	S	S	*	*			trans	-57.4	122.4	160.5	-74.6	-165.9	174.5	-169.8	0	106.8	S145 K149	S145-K147 PolarHBondContact O-N 3.48Å; K147-K149 PolarHBondContact O-N 2.86Å
148	P	32	Very low	51.7	Low	111 Å²	111	127.3 Å²	127.3	72%	0.721	67%	0.671	S	S	*	*			trans	-58.7	139.8	175.2	25.6	-33.2	0	0	0	108.1	N146 V150	N146-P148 WeakPolarHBondContact O-CD 3.28Å; P148-V150 PolarHBondContact O-N 3.49Å
149	K	34.4	Very low	54.9	Low	205 Å²	205	117.8 Å²	117.8	89%	0.891	63%	0.634	S	S	*	*			trans	-57.6	108.8	164.1	-74.3	-175.1	176.7	-176.9	0	106.2	K147 K151	K147-K149 PolarHBondContact O-N 2.86Å; K149-K151 PolarHBondContact O-N 2.76Å
150	V	46.9	Very low	57.7	Low	123 Å²	123	114.4 Å²	114.4	75%	0.745	61%	0.613	S	S	*	*			trans	-53.6	113.9	172.6	179.3	0	0	0	0	105.6	P148 S152	P148-V150 PolarHBondContact O-N 3.49Å; V150-S152 PolarHBondContact O-N 3.18Å; V150-S152 VanDerWaalsContact O-N 3.12Å
151	K	43.9	Very low	60.7	Low	196 Å²	196	110 Å²	110	85%	0.852	59%	0.587	S	S	*	*			trans	-59.4	122.6	177.2	-72.4	-179.2	177.9	177.5	0	105.5	K149 G153	K149-K151 PolarHBondContact O-N 2.76Å; K151-G153 PolarHBondContact O-N 2.86Å
152	S	59	Low	63.8	Low	119 Å²	119	111.2 Å²	111.2	83%	0.832	58%	0.576	S	S	*	*			trans	-53.5	105.7	176.4	-172.1	0	0	0	0	107.8	V150	V150-S152 PolarHBondContact O-N 3.18Å; V150-S152 VanDerWaalsContact O-N 3.12Å
153	G	69.9	Low	66.9	Low	21 Å²	21	108.7 Å²	108.7	22%	0.216	55%	0.552	C	S	.	*			trans	-64.5	149	-174	0	0	0	0	0	109.3	K151 R155	K151-G153 PolarHBondContact O-N 2.86Å; G153-R155 PolarHBondContact O-N 3.44Å
154	N	92	Very high	70	Confident	104 Å²	104	103 Å²	103	56%	0.556	52%	0.515	S	S	*	.			trans	-59.7	120.9	175.6	-171.6	4.5	0	0	0	108.3	F156 F537	N154-F156 PolarHBondContact ND2-O 3.28Å; N154-F156 PolarHBondContact O-N 3.03Å; N154-F156 PolarHBondContact OD1-N 3.42Å; N154-F156 VanDerWaalsContact OD1-N 3.11Å; N154-F156 PolarHBondContact OD1-O 3.44Å; N154-F537 VanDerWaalsContact O-CB 3.24Å; N154-F537 WeakPolarHBondContact O-CB 3.48Å; N154-F537 PolarHBondContact O-N 2.85Å
155	R	96.1	Very high	73.1	Confident	86 Å²	86	94 Å²	94	33%	0.325	49%	0.486	S	S	.	.	S	Bend	trans	-75.6	-13.6	179.8	-47.9	-154.5	-59.6	96.2	5.8	112.2	G153 E531 S532 G535	G153-R155 PolarHBondContact O-N 3.44Å; R155-E531 IonicContact CZ-OE1 2.99Å; R155-E531 IonicContact NH1-OE1 3.26Å; R155-E531 PolarHBondContact NH1-OE1 3.47Å; R155-E531 IonicContact NH2-OE1 3.73Å; R155-E531 PolarHBondContact NH2-OE1 3.01Å; R155-E531 CarbonylContact O-C 3.56Å; R155-E531 VanDerWaalsContact O-CA 3.28Å; R155-E531 WeakPolarHBondContact O-CA 3.32Å; R155-S532 PolarHBondContact NH1-O 3.02Å; R155-S532 PolarHBondContact O-N 2.8Å; R155-G535 VanDerWaalsContact CA-O 3.27Å; R155-G535 WeakPolarHBondContact CA-O 3.41Å; R155-G535 VanDerWaalsContact CB-O 3.27Å; R155-G535 WeakPolarHBondContact CB-O 3.48Å; R155-G535 WeakPolarHBondContact CG-O 3.33Å
156	F	97.4	Very high	76	Confident	83 Å²	83	90.9 Å²	90.9	36%	0.364	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.1	-177.2	-57.6	-80.9	0	0	0	111.5	N154 V529 A530 E531	N154-F156 PolarHBondContact ND2-O 3.28Å; N154-F156 PolarHBondContact O-N 3.03Å; N154-F156 PolarHBondContact OD1-N 3.42Å; N154-F156 VanDerWaalsContact OD1-N 3.11Å; N154-F156 PolarHBondContact OD1-O 3.44Å; F156-V529 HydrophobicContact CB-CG1 4.04Å; F156-V529 HydrophobicContact CD1-CG1 4.02Å; F156-V529 HydrophobicContact CG-CG1 4.47Å; F156-A530 CarbonylContact C-O 3.53Å; F156-A530 VanDerWaalsContact CA-O 3.31Å; F156-A530 WeakPolarHBondContact CA-O 3.23Å; F156-E531 HydrophobicContact CD1-CB 3.83Å; F156-E531 HydrophobicContact CD1-CG 3.92Å; F156-E531 HydrophobicContact CE1-CB 3.83Å; F156-E531 HydrophobicContact CE1-CG 3.58Å; F156-E531 WeakPolarHBondContact CE1-OE2 3.45Å; F156-E531 HydrophobicContact CZ-CG 4.19Å
157	Q	97.1	Very high	79.1	Confident	78 Å²	78	83.5 Å²	83.5	36%	0.364	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.3	174.4	179.9	55.9	57.4	0	0	109.9	V529 A530 F537	Q157-V529 WeakPolarHBondContact O-CA 3.39Å; Q157-A530 PolarHBondContact N-O 3.26Å; Q157-A530 PolarHBondContact O-N 3.46Å; Q157-F537 HydrophobicContact CB-CB 4.4Å; Q157-F537 HydrophobicContact CB-CD1 3.42Å; Q157-F537 VanDerWaalsContact CB-CD1 3.42Å; Q157-F537 HydrophobicContact CB-CD2 3.82Å; Q157-F537 HydrophobicContact CB-CE1 3.51Å; Q157-F537 HydrophobicContact CB-CE2 3.91Å; Q157-F537 HydrophobicContact CB-CG 3.59Å; Q157-F537 HydrophobicContact CB-CZ 3.76Å; Q157-F537 HydrophobicContact CG-CD1 3.88Å; Q157-F537 HydrophobicContact CG-CE1 3.7Å; Q157-F537 HydrophobicContact CG-CZ 4.21Å
158	I	97.5	Very high	82	Confident	99 Å²	99	77.6 Å²	77.6	51%	0.508	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.7	168.8	-60	177.4	0	0	0	107.8	T527 I528 V529	I158-T527 HydrophobicContact CD1-CG2 4.28Å; I158-T527 HydrophobicContact CG1-CG2 4.49Å; I158-T527 HydrophobicContact CG2-CG2 3.77Å; I158-I528 WeakPolarHBondContact CA-O 3.13Å; I158-V529 HydrophobicContact CG1-CG2 4.43Å
159	L	97	Very high	84.9	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.016	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-74.6	141.7	179.3	-62.4	-171	0	0	0	111.4	R163 V164 I223 I503 I528 A530	L159-R163 HydrophobicContact CB-CB 4.06Å; L159-R163 HydrophobicContact CD1-CB 4.42Å; L159-R163 HydrophobicContact CD2-CB 4.35Å; L159-V164 HydrophobicContact CB-CG2 3.8Å; L159-I223 HydrophobicContact CD2-CG1 4.24Å; L159-I503 HydrophobicContact CD1-CD1 4.36Å; L159-I503 HydrophobicContact CD1-CG2 3.87Å; L159-I528 HydrophobicContact CB-CB 4.42Å; L159-I528 HydrophobicContact CD1-CB 4.2Å; L159-I528 HydrophobicContact CD1-CG2 3.76Å; L159-I528 HydrophobicContact CG-CB 4.42Å; L159-I528 HydrophobicContact CG-CG2 4.27Å; L159-I528 PolarHBondContact N-O 2.81Å; L159-A530 HydrophobicContact CD2-CB 3.83Å; L159-A530 HydrophobicContact CG-CB 4.35Å
160	S	95.6	Very high	87.7	Confident	42 Å²	42	69.9 Å²	69.9	29%	0.294	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-71.7	166.5	171.5	65.4	0	0	0	0	111.4	E162 R163 V164	S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 WeakPolarHBondContact CB-OE2 3.46Å; S160-E162 PolarHBondContact O-N 2.9Å; S160-E162 PolarHBondContact OG-OE2 3.17Å; S160-R163 PolarHBondContact O-N 2.87Å; S160-V164 WeakPolarHBondContact O-CG2 3.49Å; S160-V164 PolarHBondContact O-N 3.32Å
161	Y	95.9	Very high	90	Very high	64 Å²	64	64 Å²	64	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-38.1	178.6	175.1	-103.5	0	0	0	112.9	V164 T165 I520 T521 P522 Y525	Y161-V164 PolarHBondContact O-N 2.97Å; Y161-T165 WeakPolarHBondContact CE1-OG1 3.48Å; Y161-T165 WeakPolarHBondContact CE2-OG1 3.39Å; Y161-T165 WeakPolarHBondContact O-CB 3.13Å; Y161-T165 PolarHBondContact O-N 3.37Å; Y161-T165 PolarHBondContact O-OG1 3.05Å; Y161-I520 HydrophobicContact CE2-CG2 3.74Å; Y161-T521 VanDerWaalsContact CE2-O 3.28Å; Y161-T521 WeakPolarHBondContact CE2-O 3.45Å; Y161-P522 HydrophobicContact CD1-CB 4.35Å; Y161-P522 HydrophobicContact CD1-CG 4.13Å; Y161-P522 HydrophobicContact CE1-CB 4.36Å; Y161-P522 HydrophobicContact CE1-CG 3.7Å; Y161-P522 HydrophobicContact CE2-CG 4.36Å; Y161-P522 HydrophobicContact CG-CB 4.47Å; Y161-Y525 AromaticContact CD2-CD1 3.65Å; Y161-Y525 HydrophobicContact CD2-CD1 3.65Å; Y161-Y525 AromaticContact CD2-CE1 3.91Å; Y161-Y525 HydrophobicContact CD2-CE1 3.91Å; Y161-Y525 AromaticContact CD2-CG 3.97Å; Y161-Y525 HydrophobicContact CD2-CG 3.97Å; Y161-Y525 HydrophobicContact CE2-CD1 4.36Å; Y161-Y525 HydrophobicContact CG-CE1 4.42Å
162	E	94.5	Very high	92.4	Very high	119 Å²	119	55.8 Å²	55.8	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-45.1	177.8	-43.8	87.1	172.5	0	0	110.6	S160 V164 T165 R166	S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 WeakPolarHBondContact CB-OE2 3.46Å; S160-E162 PolarHBondContact O-N 2.9Å; S160-E162 PolarHBondContact OG-OE2 3.17Å; E162-V164 PolarHBondContact O-N 2.55Å; E162-T165 PolarHBondContact O-N 3.32Å; E162-R166 WeakPolarHBondContact O-CG 3.18Å; E162-R166 PolarHBondContact O-N 3.4Å
163	R	95.5	Very high	93.9	Very high	46 Å²	46	55.5 Å²	55.5	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-38.5	177.4	-68.2	-173.1	169.7	136.5	-3.6	112.1	L159 S160 T165 L167 I222 I223	L159-R163 HydrophobicContact CB-CB 4.06Å; L159-R163 HydrophobicContact CD1-CB 4.42Å; L159-R163 HydrophobicContact CD2-CB 4.35Å; S160-R163 PolarHBondContact O-N 2.87Å; R163-T165 VanDerWaalsContact C-N 3.35Å; R163-L167 WeakPolarHBondContact O-CB 3.33Å; R163-L167 PolarHBondContact O-N 3.04Å; R163-I222 WeakPolarHBondContact CG-O 3.24Å; R163-I222 WeakPolarHBondContact O-CG2 3.41Å; R163-I223 PolarHBondContact NE-O 3.44Å; R163-I223 PolarHBondContact NH2-O 3.19Å
164	V	96.6	Very high	95	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-35.4	173	175.9	0	0	0	0	111.5	L159 S160 Y161 E162 L167 H168 Y525 I528	L159-V164 HydrophobicContact CB-CG2 3.8Å; S160-V164 WeakPolarHBondContact O-CG2 3.49Å; S160-V164 PolarHBondContact O-N 3.32Å; Y161-V164 PolarHBondContact O-N 2.97Å; E162-V164 PolarHBondContact O-N 2.55Å; V164-L167 PolarHBondContact O-N 3.13Å; V164-H168 WeakPolarHBondContact O-CB 3.47Å; V164-H168 PolarHBondContact O-N 3.17Å; V164-Y525 HydrophobicContact CB-CD2 4.18Å; V164-Y525 HydrophobicContact CG1-CD2 4.03Å; V164-Y525 HydrophobicContact CG2-CD2 4.1Å; V164-Y525 HydrophobicContact CG2-CE2 4.23Å; V164-I528 HydrophobicContact CG1-CG1 4.3Å; V164-I528 HydrophobicContact CG2-CB 4.07Å; V164-I528 HydrophobicContact CG2-CG1 3.91Å
165	T	94.7	Very high	95	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.288	25%	0.25	S	C	.	.	H	α-helix	trans	-70.2	-41.7	176.8	-57.2	0	0	0	0	111.6	Y161 E162 R163 H168 Y169	Y161-T165 WeakPolarHBondContact CE1-OG1 3.48Å; Y161-T165 WeakPolarHBondContact CE2-OG1 3.39Å; Y161-T165 WeakPolarHBondContact O-CB 3.13Å; Y161-T165 PolarHBondContact O-N 3.37Å; Y161-T165 PolarHBondContact O-OG1 3.05Å; E162-T165 PolarHBondContact O-N 3.32Å; R163-T165 VanDerWaalsContact C-N 3.35Å; T165-H168 WeakPolarHBondContact O-CB 3.46Å; T165-H168 PolarHBondContact O-N 3.42Å; T165-Y169 PolarHBondContact O-N 3.16Å
166	R	94.2	Very high	94.9	Very high	28 Å²	28	50 Å²	50	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-39.3	172.5	-70.5	175	75.4	-146.6	9.3	111.8	E162 V170 Y221 I222 G224 Q225	E162-R166 WeakPolarHBondContact O-CG 3.18Å; E162-R166 PolarHBondContact O-N 3.4Å; R166-V170 WeakPolarHBondContact O-CG2 3.41Å; R166-V170 PolarHBondContact O-N 3.34Å; R166-Y221 VanDerWaalsContact CZ-O 3.3Å; R166-Y221 PolarHBondContact NH1-O 3.42Å; R166-Y221 VanDerWaalsContact NH1-O 3.11Å; R166-Y221 PolarHBondContact NH2-O 3.38Å; R166-I222 PolarHBondContact NH1-O 3.28Å; R166-G224 PolarHBondContact NH1-O 3.47Å; R166-Q225 PolarHBondContact NH2-O 2.97Å
167	L	96	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-47.8	170.5	175.9	65.6	0	0	0	111.8	R163 V164 Y169 V170 L171 L214 I222 I503 L505 L508 I528	R163-L167 WeakPolarHBondContact O-CB 3.33Å; R163-L167 PolarHBondContact O-N 3.04Å; V164-L167 PolarHBondContact O-N 3.13Å; L167-Y169 VanDerWaalsContact C-N 3.34Å; L167-Y169 PolarHBondContact O-N 3.06Å; L167-V170 PolarHBondContact O-N 2.85Å; L167-L171 HydrophobicContact CD1-CD1 4.13Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.97Å; L167-L171 HydrophobicContact CG-CD1 4.35Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.82Å; L167-L214 HydrophobicContact CD1-CD2 4.01Å; L167-I222 HydrophobicContact CB-CD1 4.17Å; L167-I222 HydrophobicContact CB-CG2 4.08Å; L167-I222 HydrophobicContact CD1-CD1 3.71Å; L167-I503 HydrophobicContact CD2-CG2 3.92Å; L167-L505 HydrophobicContact CD1-CD2 3.88Å; L167-L505 HydrophobicContact CD2-CD2 4.32Å; L167-L508 HydrophobicContact CD2-CD2 3.57Å; L167-L508 HydrophobicContact CG-CD2 3.69Å; L167-I528 HydrophobicContact CD2-CG1 4.31Å; L167-I528 HydrophobicContact CD2-CG2 3.99Å
168	H	95.3	Very high	94.6	Very high	55 Å²	55	43.6 Å²	43.6	26%	0.255	21%	0.21	S	C	.	.	H	α-helix	trans	-57.1	-46.1	177.6	172.7	54.8	0	0	0	111.7	V164 T165 L171 S172 Y512 I520	V164-H168 WeakPolarHBondContact O-CB 3.47Å; V164-H168 PolarHBondContact O-N 3.17Å; T165-H168 WeakPolarHBondContact O-CB 3.46Å; T165-H168 PolarHBondContact O-N 3.42Å; H168-L171 PolarHBondContact O-N 3.2Å; H168-S172 PolarHBondContact CE1-OG 2.89Å; H168-S172 PolarHBondContact ND1-OG 3.26Å; H168-S172 VanDerWaalsContact ND1-OG 3.1Å; H168-S172 WeakPolarHBondContact O-CB 3.49Å; H168-S172 PolarHBondContact O-N 3.36Å; H168-S172 PolarHBondContact O-OG 3.22Å; H168-Y512 AromaticContact CE1-CE1 3.9Å; H168-Y512 AromaticContact ND1-CE1 3.56Å; H168-Y512 AromaticContact ND1-CZ 3.64Å; H168-Y512 PolarHBondContact ND1-OH 3.1Å; H168-I520 HydrophobicContact CB-CD1 3.96Å
169	Y	93.4	Very high	94.4	Very high	148 Å²	148	39.7 Å²	39.7	58%	0.58	19%	0.191	S	C	*	.	H	α-helix	trans	-58	-50.9	175.1	176.8	-98.4	0	0	0	112.2	T165 L167 L171 S172 K173	T165-Y169 PolarHBondContact O-N 3.16Å; L167-Y169 VanDerWaalsContact C-N 3.34Å; L167-Y169 PolarHBondContact O-N 3.06Å; Y169-L171 VanDerWaalsContact C-N 3.31Å; Y169-L171 PolarHBondContact O-N 3.19Å; Y169-S172 PolarHBondContact O-N 3.31Å; Y169-K173 PolarHBondContact O-N 3Å
170	V	93.1	Very high	94	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-39.8	178.3	170.4	0	0	0	0	112	R166 L167 Y221 I222 Y231	R166-V170 WeakPolarHBondContact O-CG2 3.41Å; R166-V170 PolarHBondContact O-N 3.34Å; L167-V170 PolarHBondContact O-N 2.85Å; V170-Y221 HydrophobicContact CG2-CD1 4.34Å; V170-Y221 HydrophobicContact CG2-CE1 4.04Å; V170-I222 HydrophobicContact CB-CD1 4.28Å; V170-I222 HydrophobicContact CG1-CD1 4.42Å; V170-I222 HydrophobicContact CG2-CD1 4.27Å; V170-I222 HydrophobicContact CG2-CG1 4.33Å; V170-Y231 HydrophobicContact CG2-CE1 4.37Å
171	L	95.2	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-78.6	-22	179.2	-64.8	-165.9	0	0	0	114.3	L167 H168 Y169 L191 H192 L505 L508	L167-L171 HydrophobicContact CD1-CD1 4.13Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.97Å; L167-L171 HydrophobicContact CG-CD1 4.35Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.82Å; H168-L171 PolarHBondContact O-N 3.2Å; Y169-L171 VanDerWaalsContact C-N 3.31Å; Y169-L171 PolarHBondContact O-N 3.19Å; L171-L191 HydrophobicContact CD2-CD2 3.64Å; L171-L191 HydrophobicContact CD2-CG 4.14Å; L171-L191 PolarHBondContact O-N 3.24Å; L171-H192 HydrophobicContact CB-CB 4.19Å; L171-H192 PolarHBondContact O-N 2.69Å; L171-H192 PolarHBondContact O-ND1 3.07Å; L171-L505 HydrophobicContact CD1-CD1 4.34Å; L171-L505 HydrophobicContact CD1-CD2 4.24Å; L171-L505 HydrophobicContact CD2-CD1 4.32Å; L171-L508 HydrophobicContact CD1-CD2 3.7Å; L171-L508 HydrophobicContact CD1-CG 4.36Å
172	S	93.7	Very high	93	Very high	24 Å²	24	49.2 Å²	49.2	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-106.3	-11.2	-171.9	-52	0	0	0	0	114.3	H168 Y169 T174 K190 Y512	H168-S172 PolarHBondContact CE1-OG 2.89Å; H168-S172 PolarHBondContact ND1-OG 3.26Å; H168-S172 VanDerWaalsContact ND1-OG 3.1Å; H168-S172 WeakPolarHBondContact O-CB 3.49Å; H168-S172 PolarHBondContact O-N 3.36Å; H168-S172 PolarHBondContact O-OG 3.22Å; Y169-S172 PolarHBondContact O-N 3.31Å; S172-T174 PolarHBondContact O-N 3.33Å; S172-K190 WeakPolarHBondContact O-CD 3.45Å; S172-K190 WeakPolarHBondContact O-CG 3.34Å; S172-Y512 PolarHBondContact OG-OH 3.34Å
173	K	91	Very high	92.5	Very high	112 Å²	112	47.4 Å²	47.4	49%	0.487	25%	0.251	S	S	.	.	S	Bend	trans	-58.5	127.5	165.1	179.3	169.5	-179.7	174.8	0	109.8	Y169 I175	Y169-K173 PolarHBondContact O-N 3Å; K173-I175 HydrophobicContact CG-CG2 4.3Å
174	T	93.5	Very high	92.2	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.6	166.9	-48.4	0	0	0	0	108.8	S172 M188 V189	S172-T174 PolarHBondContact O-N 3.33Å; T174-M188 HydrophobicContact CG2-CB 4.08Å; T174-M188 HydrophobicContact CG2-CE 4.21Å; T174-V189 WeakPolarHBondContact CA-O 3.38Å
175	I	92	Very high	92	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.2	179.8	52.4	176.8	0	0	0	110.6	K173 V189 I234 I482	K173-I175 HydrophobicContact CG-CG2 4.3Å; I175-V189 WeakPolarHBondContact CG1-O 3.36Å; I175-V189 PolarHBondContact N-O 2.89Å; I175-V189 PolarHBondContact O-N 3.18Å; I175-V189 VanDerWaalsContact O-N 3.17Å; I175-I234 HydrophobicContact CD1-CD1 4.03Å; I175-I482 HydrophobicContact CD1-CD1 3.62Å; I175-I482 HydrophobicContact CD1-CG1 4.11Å
176	P	94.3	Very high	91.9	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.4	171.9	30.6	-31.5	0	0	0	110.7	T186 I187 M188 D478 S479	P176-T186 HydrophobicContact CB-CG2 3.58Å; P176-I187 CarbonylContact C-O 3.6Å; P176-M188 HydrophobicContact CB-CE 4.37Å; P176-M188 HydrophobicContact CB-SD 3.72Å; P176-D478 HydrophobicContact CG-CB 4.4Å; P176-D478 WeakPolarHBondContact CG-O 3.34Å; P176-S479 WeakPolarHBondContact O-CB 3.42Å
177	I	94.2	Very high	92	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	102	170.4	-56	177.8	0	0	0	107	I187 V189 L194 L260 Y452 I482	I177-I187 HydrophobicContact CB-CB 4.25Å; I177-I187 PolarHBondContact N-O 3.3Å; I177-I187 PolarHBondContact O-N 3.24Å; I177-V189 HydrophobicContact CD1-CG1 3.49Å; I177-V189 VanDerWaalsContact CD1-CG1 3.49Å; I177-V189 HydrophobicContact CG1-CG1 4.21Å; I177-L194 HydrophobicContact CD1-CD2 4.21Å; I177-L260 HydrophobicContact CD1-CD1 3.65Å; I177-L260 HydrophobicContact CG2-CD1 4.25Å; I177-Y452 HydrophobicContact CG2-CD1 4.33Å; I177-I482 HydrophobicContact CD1-CD1 3.61Å; I177-I482 HydrophobicContact CG1-CD1 4.15Å
178	H	93.1	Very high	91.9	Very high	26 Å²	26	52.5 Å²	52.5	12%	0.12	28%	0.281	C	S	.	.			trans	-85.3	149.8	177.7	-41.2	-76.3	0	0	0	111.5	T186 G473 F474 S476 D478 S479	H178-T186 WeakPolarHBondContact ND1-CG2 3.28Å; H178-T186 PolarHBondContact ND1-OG1 2.95Å; H178-G473 WeakPolarHBondContact O-CA 3.46Å; H178-F474 PolarHBondContact O-N 3.35Å; H178-S476 PolarHBondContact CD2-OG 2.97Å; H178-S476 WeakPolarHBondContact NE2-CB 3.22Å; H178-S476 PolarHBondContact NE2-OG 2.96Å; H178-D478 IonicContact CE1-OD1 2.73Å; H178-D478 IonicContact CE1-OD2 2.72Å; H178-D478 PolarHBondContact CE1-OD2 3Å; H178-D478 IonicContact NE2-OD1 2.71Å; H178-D478 PolarHBondContact NE2-OD1 3.22Å; H178-D478 IonicContact NE2-OD2 2.72Å; H178-S479 WeakPolarHBondContact NE2-CB 3.06Å
179	S	92.9	Very high	91.9	Very high	16 Å²	16	50 Å²	50	11%	0.112	27%	0.27	C	S	.	.			trans	-68.6	153.9	164.4	50.9	0	0	0	0	112	Y181 S451	S179-Y181 VanDerWaalsContact C-N 3.26Å; S179-Y181 WeakPolarHBondContact CB-O 3.36Å; S179-Y181 PolarHBondContact OG-O 2.89Å; S179-S451 CarbonylContact C-O 3.54Å; S179-S451 VanDerWaalsContact CA-O 3.28Å; S179-S451 WeakPolarHBondContact CA-O 3.28Å
180	R	89.2	Confident	92	Very high	106 Å²	106	47.1 Å²	47.1	40%	0.4	26%	0.26	S	S	.	.	S	Bend	trans	-69.5	-23.1	168.5	-177.3	177.5	176.8	-166.8	-3.1	112.8	S451 F474	R180-S451 PolarHBondContact N-O 3.2Å; R180-F474 HydrophobicContact CB-CD2 4.32Å; R180-F474 HydrophobicContact CG-CD2 4.13Å
181	Y	87.1	Confident	92	Very high	74 Å²	74	46.9 Å²	46.9	29%	0.29	26%	0.258	S	S	.	.	S	Bend	trans	-109.7	137.2	179.7	-56.9	-69.3	0	0	0	110.9	S179 F184 F446	S179-Y181 VanDerWaalsContact C-N 3.26Å; S179-Y181 WeakPolarHBondContact CB-O 3.36Å; S179-Y181 PolarHBondContact OG-O 2.89Å; Y181-F184 HydrophobicContact CD2-CE2 4.47Å; Y181-F446 HydrophobicContact CE1-CE1 4.5Å; Y181-F446 HydrophobicContact CE1-CZ 4.47Å; Y181-F446 HydrophobicContact CE2-CB 4.45Å; Y181-F446 AromaticContact CE2-CD1 3.85Å; Y181-F446 HydrophobicContact CE2-CD1 3.85Å; Y181-F446 HydrophobicContact CE2-CE1 4.31Å; Y181-F446 HydrophobicContact CE2-CG 4.1Å; Y181-F446 AromaticContact CZ-CD1 3.84Å; Y181-F446 AromaticContact CZ-CE1 3.82Å; Y181-F446 WeakPolarHBondContact OH-CE1 3.5Å
182	P	82.8	Confident	92	Very high	129 Å²	129	47.7 Å²	47.7	84%	0.838	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	153.7	173.6	29.8	-35.2	0	0	0	111.2
183	G	85.2	Confident	92.2	Very high	82 Å²	82	48.3 Å²	48.3	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-30.1	178.9	0	0	0	0	0	114.4
184	F	89.7	Confident	92.4	Very high	45 Å²	45	43 Å²	43	20%	0.197	24%	0.24	C	C	.	.	S	Bend	trans	-76	150.2	170	-61.1	-63.3	0	0	0	111.4	Y181 T272 L448 S451	Y181-F184 HydrophobicContact CD2-CE2 4.47Å; F184-T272 HydrophobicContact CE1-CG2 4.26Å; F184-L448 HydrophobicContact CB-CD1 4.49Å; F184-L448 HydrophobicContact CD1-CD1 3.38Å; F184-L448 HydrophobicContact CE1-CB 4.2Å; F184-L448 HydrophobicContact CE1-CD1 3.77Å; F184-L448 HydrophobicContact CG-CD1 4.12Å; F184-S451 VanDerWaalsContact CD2-CB 3.45Å; F184-S451 WeakPolarHBondContact CD2-OG 3.42Å; F184-S451 VanDerWaalsContact CE2-CB 3.48Å
185	P	92.3	Very high	92.6	Very high	16 Å²	16	40 Å²	40	10%	0.104	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.5	157.4	-179.8	29.4	-35.6	0	0	0	112.3	L264 P265 K268 Y452	P185-L264 HydrophobicContact CG-CD2 3.66Å; P185-P265 HydrophobicContact CB-CG 3.98Å; P185-P265 HydrophobicContact CG-CG 4.47Å; P185-K268 HydrophobicContact CB-CD 3.97Å; P185-Y452 WeakPolarHBondContact O-CE1 3.37Å; P185-Y452 PolarHBondContact O-OH 2.78Å
186	T	92.7	Very high	92.8	Very high	54 Å²	54	42.3 Å²	42.3	33%	0.331	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-81.4	129.9	163.6	-63.5	0	0	0	0	108.8	P176 H178 M188	P176-T186 HydrophobicContact CB-CG2 3.58Å; H178-T186 WeakPolarHBondContact ND1-CG2 3.28Å; H178-T186 PolarHBondContact ND1-OG1 2.95Å; T186-M188 HydrophobicContact CG2-SD 3.93Å
187	I	94.6	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.5	175.5	-71.2	168.7	0	0	0	108.3	P176 I177 V189 L260 F263 L264 Y452	P176-I187 CarbonylContact C-O 3.6Å; I177-I187 HydrophobicContact CB-CB 4.25Å; I177-I187 PolarHBondContact N-O 3.3Å; I177-I187 PolarHBondContact O-N 3.24Å; I187-V189 HydrophobicContact CG2-CB 4.26Å; I187-V189 HydrophobicContact CG2-CG1 4.31Å; I187-L260 HydrophobicContact CD1-CD1 3.81Å; I187-L260 HydrophobicContact CD1-CD2 4.38Å; I187-L260 HydrophobicContact CD1-CG 3.73Å; I187-L260 HydrophobicContact CG2-CD1 4.02Å; I187-F263 HydrophobicContact CG2-CB 3.65Å; I187-L264 HydrophobicContact CD1-CD2 3.84Å; I187-L264 HydrophobicContact CD1-CG 4.36Å; I187-L264 HydrophobicContact CG1-CD2 3.82Å; I187-Y452 HydrophobicContact CD1-CD1 4.17Å; I187-Y452 HydrophobicContact CD1-CD2 4.34Å; I187-Y452 HydrophobicContact CD1-CE1 3.76Å; I187-Y452 HydrophobicContact CD1-CE2 3.95Å; I187-Y452 HydrophobicContact CD1-CG 4.45Å; I187-Y452 HydrophobicContact CG1-CE1 4.09Å
188	M	94.4	Very high	93.1	Very high	113 Å²	113	42.6 Å²	42.6	56%	0.557	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	106.6	179.4	-62.3	-58.6	-68.7	0	0	109	T174 P176 T186	T174-M188 HydrophobicContact CG2-CB 4.08Å; T174-M188 HydrophobicContact CG2-CE 4.21Å; P176-M188 HydrophobicContact CB-CE 4.37Å; P176-M188 HydrophobicContact CB-SD 3.72Å; T186-M188 HydrophobicContact CG2-SD 3.93Å
189	V	95.2	Very high	93.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.3	-171.3	68.5	0	0	0	0	111.9	T174 I175 I177 I187 L194 F263	T174-V189 WeakPolarHBondContact CA-O 3.38Å; I175-V189 WeakPolarHBondContact CG1-O 3.36Å; I175-V189 PolarHBondContact N-O 2.89Å; I175-V189 PolarHBondContact O-N 3.18Å; I175-V189 VanDerWaalsContact O-N 3.17Å; I177-V189 HydrophobicContact CD1-CG1 3.49Å; I177-V189 VanDerWaalsContact CD1-CG1 3.49Å; I177-V189 HydrophobicContact CG1-CG1 4.21Å; I187-V189 HydrophobicContact CG2-CB 4.26Å; I187-V189 HydrophobicContact CG2-CG1 4.31Å; V189-L194 HydrophobicContact CG1-CD2 4.47Å; V189-L194 HydrophobicContact CG2-CB 3.93Å; V189-F263 HydrophobicContact CB-CB 4.31Å; V189-F263 HydrophobicContact CB-CD1 4.4Å; V189-F263 HydrophobicContact CB-CG 4.16Å; V189-F263 HydrophobicContact CG2-CB 4.26Å; V189-F263 HydrophobicContact CG2-CD1 3.62Å; V189-F263 HydrophobicContact CG2-CD2 3.7Å; V189-F263 HydrophobicContact CG2-CE1 3.78Å; V189-F263 HydrophobicContact CG2-CE2 3.87Å; V189-F263 HydrophobicContact CG2-CG 3.58Å; V189-F263 HydrophobicContact CG2-CZ 3.9Å
190	K	95	Very high	93.4	Very high	86 Å²	86	42.8 Å²	42.8	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.6	168.1	-58.1	177.6	-175.2	170.1	0	108.8	S172 H192 D193 L194	S172-K190 WeakPolarHBondContact O-CD 3.45Å; S172-K190 WeakPolarHBondContact O-CG 3.34Å; K190-H192 VanDerWaalsContact C-N 3.3Å; K190-H192 PolarHBondContact O-N 3.11Å; K190-D193 HydrophobicContact CB-CB 4.5Å; K190-D193 WeakPolarHBondContact CB-OD2 3.4Å; K190-D193 PolarHBondContact O-N 2.84Å; K190-L194 PolarHBondContact O-N 2.99Å
191	L	95.1	Very high	93.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-41.8	-173.2	179.7	60.4	0	0	0	112.7	L171 D193 L194 L195 I234 I482	L171-L191 HydrophobicContact CD2-CD2 3.64Å; L171-L191 HydrophobicContact CD2-CG 4.14Å; L171-L191 PolarHBondContact O-N 3.24Å; L191-D193 VanDerWaalsContact C-N 3.3Å; L191-D193 PolarHBondContact O-N 2.93Å; L191-L194 PolarHBondContact O-N 3.37Å; L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 4.19Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.31Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.13Å; L191-L195 PolarHBondContact O-N 3.37Å; L191-I234 HydrophobicContact CD1-CG2 4.27Å; L191-I234 HydrophobicContact CD2-CD1 4.37Å; L191-I234 HydrophobicContact CD2-CG2 3.52Å; L191-I482 HydrophobicContact CD1-CD1 4.42Å; L191-I482 HydrophobicContact CD1-CG2 4.17Å
192	H	95.2	Very high	94.1	Very high	17 Å²	17	36.7 Å²	36.7	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-29	177.5	68.4	-82	0	0	0	114.6	L171 K190 R196 L509 Y512	L171-H192 HydrophobicContact CB-CB 4.19Å; L171-H192 PolarHBondContact O-N 2.69Å; L171-H192 PolarHBondContact O-ND1 3.07Å; K190-H192 VanDerWaalsContact C-N 3.3Å; K190-H192 PolarHBondContact O-N 3.11Å; H192-R196 PolarHBondContact CD2-NH2 3.28Å; H192-R196 WeakPolarHBondContact O-CB 3.41Å; H192-R196 PolarHBondContact O-N 3.23Å; H192-L509 HydrophobicContact CB-CD2 3.98Å; H192-Y512 HydrophobicContact CB-CD2 3.81Å; H192-Y512 HydrophobicContact CB-CE2 3.48Å; H192-Y512 VanDerWaalsContact CB-CE2 3.48Å; H192-Y512 AromaticContact CD2-CD2 3.33Å; H192-Y512 WeakPolarHBondContact CD2-CD2 3.4Å; H192-Y512 AromaticContact CD2-CE2 3.56Å; H192-Y512 AromaticContact CD2-CG 3.88Å; H192-Y512 AromaticContact CG-CD2 3.74Å; H192-Y512 AromaticContact CG-CE2 3.51Å
193	D	96.2	Very high	94.7	Very high	37 Å²	37	37 Å²	37	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-73.4	-42	176.6	-66.6	-43	0	0	0	110.7	K190 L191 R196 A197 F263	K190-D193 HydrophobicContact CB-CB 4.5Å; K190-D193 WeakPolarHBondContact CB-OD2 3.4Å; K190-D193 PolarHBondContact O-N 2.84Å; L191-D193 VanDerWaalsContact C-N 3.3Å; L191-D193 PolarHBondContact O-N 2.93Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.71Å; D193-R196 IonicContact OD1-NH1 2.76Å; D193-R196 PolarHBondContact OD1-NH1 2.74Å; D193-R196 IonicContact OD1-NH2 2.72Å; D193-R196 PolarHBondContact OD1-NH2 3.27Å; D193-A197 PolarHBondContact O-N 3.5Å; D193-F263 HydrophobicContact CB-CE1 4.11Å; D193-F263 HydrophobicContact CB-CZ 4.09Å
194	L	96.5	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-45.9	171	-177.9	61.9	0	0	0	111.4	I177 V189 K190 L191 R196 A197 V198 A259 L260 F263 L472 I482 F484	I177-L194 HydrophobicContact CD1-CD2 4.21Å; V189-L194 HydrophobicContact CG1-CD2 4.47Å; V189-L194 HydrophobicContact CG2-CB 3.93Å; K190-L194 PolarHBondContact O-N 2.99Å; L191-L194 PolarHBondContact O-N 3.37Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 2.76Å; L194-A197 PolarHBondContact O-N 2.95Å; L194-V198 HydrophobicContact CD1-CG2 4.32Å; L194-V198 HydrophobicContact CG-CG2 4.48Å; L194-V198 VanDerWaalsContact O-CG2 3.32Å; L194-V198 WeakPolarHBondContact O-CG2 3.37Å; L194-V198 PolarHBondContact O-N 2.63Å; L194-A259 HydrophobicContact CD1-CB 4.42Å; L194-L260 HydrophobicContact CD1-CB 4.48Å; L194-F263 HydrophobicContact CB-CE2 4.38Å; L194-F263 HydrophobicContact CD1-CD2 4.22Å; L194-F263 HydrophobicContact CD1-CE2 4Å; L194-L472 HydrophobicContact CD2-CD1 4.49Å; L194-I482 HydrophobicContact CD2-CD1 3.92Å; L194-F484 HydrophobicContact CD2-CE2 4.03Å; L194-F484 HydrophobicContact CD2-CZ 4.11Å; L194-F484 HydrophobicContact CG-CZ 4.18Å
195	L	97.1	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-39.6	175.5	-69.7	177.8	0	0	0	112	L191 R199 I212 V236 F484 L505 L509	L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 4.19Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.31Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.13Å; L191-L195 PolarHBondContact O-N 3.37Å; L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 PolarHBondContact O-N 3.19Å; L195-I212 HydrophobicContact CD2-CG2 4.18Å; L195-V236 HydrophobicContact CD2-CB 4.45Å; L195-V236 HydrophobicContact CD2-CG1 3.55Å; L195-V236 HydrophobicContact CD2-CG2 4.1Å; L195-F484 HydrophobicContact CD2-CE1 3.74Å; L195-F484 HydrophobicContact CD2-CZ 4.01Å; L195-L505 HydrophobicContact CD1-CD1 3.58Å; L195-L509 HydrophobicContact CB-CD1 4.28Å; L195-L509 HydrophobicContact CB-CD2 3.99Å; L195-L509 HydrophobicContact CD1-CD2 4.29Å
196	R	96.2	Very high	95.3	Very high	68 Å²	68	40 Å²	40	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-65.4	-44.9	176.3	-158.1	-166.8	-57.4	98.9	0.9	111.6	H192 D193 L194 R199 G200 E513	H192-R196 PolarHBondContact CD2-NH2 3.28Å; H192-R196 WeakPolarHBondContact O-CB 3.41Å; H192-R196 PolarHBondContact O-N 3.23Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.71Å; D193-R196 IonicContact OD1-NH1 2.76Å; D193-R196 PolarHBondContact OD1-NH1 2.74Å; D193-R196 IonicContact OD1-NH2 2.72Å; D193-R196 PolarHBondContact OD1-NH2 3.27Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 2.76Å; R196-R199 PolarHBondContact O-N 2.97Å; R196-G200 PolarHBondContact O-N 2.93Å; R196-E513 HydrophobicContact CG-CG 4.25Å; R196-E513 VanDerWaalsContact CG-OE1 3.23Å; R196-E513 WeakPolarHBondContact CG-OE1 3.48Å
197	A	96.8	Very high	95.3	Very high	22 Å²	22	37.9 Å²	37.9	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-46.3	177.9	0	0	0	0	0	112	D193 L194 R199 G200 N201 A259 F263	D193-A197 PolarHBondContact O-N 3.5Å; L194-A197 PolarHBondContact O-N 2.95Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.43Å; A197-G200 PolarHBondContact O-N 2.74Å; A197-N201 PolarHBondContact O-N 3.43Å; A197-A259 HydrophobicContact CB-CB 3.73Å; A197-F263 HydrophobicContact CB-CE2 3.9Å; A197-F263 HydrophobicContact CB-CZ 4.09Å
198	V	97	Very high	95.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-45.1	173.5	173.4	0	0	0	0	110.9	L194 G200 N201 L202 V256 A259 F484	L194-V198 HydrophobicContact CD1-CG2 4.32Å; L194-V198 HydrophobicContact CG-CG2 4.48Å; L194-V198 VanDerWaalsContact O-CG2 3.32Å; L194-V198 WeakPolarHBondContact O-CG2 3.37Å; L194-V198 PolarHBondContact O-N 2.63Å; V198-G200 VanDerWaalsContact C-N 3.29Å; V198-G200 PolarHBondContact O-N 2.96Å; V198-N201 PolarHBondContact O-N 3.19Å; V198-L202 HydrophobicContact CG1-CD1 3.75Å; V198-L202 HydrophobicContact CG1-CG 4.31Å; V198-L202 WeakPolarHBondContact O-CB 3.24Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.91Å; V198-V256 HydrophobicContact CG1-CG2 4.02Å; V198-V256 HydrophobicContact CG2-CG1 4.45Å; V198-V256 HydrophobicContact CG2-CG2 4.38Å; V198-A259 HydrophobicContact CB-CB 4.44Å; V198-A259 HydrophobicContact CG2-CB 3.68Å; V198-F484 HydrophobicContact CB-CE1 4.41Å; V198-F484 HydrophobicContact CG1-CE1 4.18Å; V198-F484 HydrophobicContact CG2-CE1 4.08Å; V198-F484 HydrophobicContact CG2-CZ 4.07Å
199	R	96.6	Very high	95.1	Very high	15 Å²	15	38 Å²	38	6%	0.057	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-33.7	177.6	-165.6	171.1	73.4	156.1	3.6	112.6	L195 R196 A197 K203 I209 I212 D506 E513	L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 PolarHBondContact O-N 3.19Å; R196-R199 PolarHBondContact O-N 2.97Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.43Å; R199-K203 VanDerWaalsContact O-CG 3.31Å; R199-K203 WeakPolarHBondContact O-CG 3.23Å; R199-K203 PolarHBondContact O-N 2.9Å; R199-I209 HydrophobicContact CB-CD1 4.36Å; R199-I209 HydrophobicContact CG-CD1 3.76Å; R199-I209 WeakPolarHBondContact O-CD1 3.39Å; R199-I212 HydrophobicContact CB-CD1 3.91Å; R199-I212 HydrophobicContact CG-CD1 4.01Å; R199-D506 IonicContact CZ-OD1 3.22Å; R199-D506 IonicContact NH1-OD1 2.68Å; R199-D506 PolarHBondContact NH1-OD1 2.91Å; R199-E513 IonicContact CZ-OE1 3.15Å; R199-E513 IonicContact NH2-OE1 2.71Å; R199-E513 PolarHBondContact NH2-OE1 2.71Å; R199-E513 IonicContact NH2-OE2 2.71Å; R199-E513 PolarHBondContact NH2-OE2 2.71Å
200	G	96	Very high	95.1	Very high	30 Å²	30	44.8 Å²	44.8	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-68.5	-55.6	172.6	0	0	0	0	0	112.1	R196 A197 V198 L202 K203 S204	R196-G200 PolarHBondContact O-N 2.93Å; A197-G200 PolarHBondContact O-N 2.74Å; V198-G200 VanDerWaalsContact C-N 3.29Å; V198-G200 PolarHBondContact O-N 2.96Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-L202 PolarHBondContact O-N 3.4Å; G200-K203 WeakPolarHBondContact O-CB 3.46Å; G200-K203 PolarHBondContact O-N 2.98Å; G200-K203 VanDerWaalsContact O-N 3.13Å; G200-S204 PolarHBondContact O-N 3.3Å; G200-S204 PolarHBondContact O-OG 3.06Å
201	N	96.9	Very high	95.1	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-39.7	-176	-71	-2.6	0	0	0	112.9	A197 V198 S204 A205 A255 A259	A197-N201 PolarHBondContact O-N 3.43Å; V198-N201 PolarHBondContact O-N 3.19Å; N201-S204 PolarHBondContact O-N 2.81Å; N201-A205 WeakPolarHBondContact O-CB 3.45Å; N201-A205 PolarHBondContact O-N 3.2Å; N201-A255 HydrophobicContact CB-CB 3.77Å; N201-A255 WeakPolarHBondContact CB-O 3.32Å; N201-A255 PolarHBondContact ND2-O 2.81Å; N201-A259 WeakPolarHBondContact ND2-CA 3.38Å; N201-A259 PolarHBondContact ND2-N 3.06Å; N201-A259 VanDerWaalsContact ND2-N 3.11Å
202	L	95.5	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.8	-73.4	171.7	0	0	0	112.1	V198 G200 A205 G206 I207 I209 V238 V252 A255 F486	V198-L202 HydrophobicContact CG1-CD1 3.75Å; V198-L202 HydrophobicContact CG1-CG 4.31Å; V198-L202 WeakPolarHBondContact O-CB 3.24Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.91Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-L202 PolarHBondContact O-N 3.4Å; L202-A205 PolarHBondContact O-N 3.26Å; L202-G206 PolarHBondContact O-N 2.99Å; L202-I207 HydrophobicContact CB-CB 4.5Å; L202-I207 HydrophobicContact CD2-CB 4.46Å; L202-I207 HydrophobicContact CD2-CD1 3.74Å; L202-I207 WeakPolarHBondContact O-CB 3.48Å; L202-I207 PolarHBondContact O-N 3.1Å; L202-I209 HydrophobicContact CB-CD1 3.73Å; L202-I209 HydrophobicContact CB-CG1 4.16Å; L202-I209 HydrophobicContact CD1-CD1 4.08Å; L202-I209 HydrophobicContact CD1-CG1 4.39Å; L202-V238 HydrophobicContact CD1-CG1 4.12Å; L202-V252 HydrophobicContact CD2-CB 4.33Å; L202-V252 HydrophobicContact CD2-CG2 3.89Å; L202-A255 HydrophobicContact CD2-CB 3.8Å; L202-A255 HydrophobicContact CG-CB 4.09Å; L202-F486 HydrophobicContact CD1-CE1 4.01Å
203	K	94.4	Very high	95.4	Very high	134 Å²	134	42.9 Å²	42.9	58%	0.583	25%	0.246	S	C	*	.	H	α-helix	trans	-62.1	-44.7	174.1	-74.3	175	178.8	-177.2	0	111.4	R199 G200 A205 G206 I209	R199-K203 VanDerWaalsContact O-CG 3.31Å; R199-K203 WeakPolarHBondContact O-CG 3.23Å; R199-K203 PolarHBondContact O-N 2.9Å; G200-K203 WeakPolarHBondContact O-CB 3.46Å; G200-K203 PolarHBondContact O-N 2.98Å; G200-K203 VanDerWaalsContact O-N 3.13Å; K203-A205 VanDerWaalsContact C-N 3.28Å; K203-A205 PolarHBondContact O-N 3.42Å; K203-G206 PolarHBondContact O-N 3.36Å; K203-I209 HydrophobicContact CG-CD1 4.11Å
204	S	95	Very high	95.4	Very high	107 Å²	107	41.1 Å²	41.1	75%	0.748	24%	0.237	S	C	*	.	H	α-helix	trans	-62.8	-31.7	176.3	-59.5	0	0	0	0	113.1	G200 N201 G206	G200-S204 PolarHBondContact O-N 3.3Å; G200-S204 PolarHBondContact O-OG 3.06Å; N201-S204 PolarHBondContact O-N 2.81Å; S204-G206 PolarHBondContact O-N 3.21Å
205	A	93.3	Very high	95.4	Very high	36 Å²	36	42.1 Å²	42.1	30%	0.298	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.1	173.5	0	0	0	0	0	114.1	N201 L202 K203 I207	N201-A205 WeakPolarHBondContact O-CB 3.45Å; N201-A205 PolarHBondContact O-N 3.2Å; L202-A205 PolarHBondContact O-N 3.26Å; K203-A205 VanDerWaalsContact C-N 3.28Å; K203-A205 PolarHBondContact O-N 3.42Å; A205-I207 HydrophobicContact CB-CD1 4.1Å; A205-I207 HydrophobicContact CB-CG1 4.24Å
206	G	92	Very high	95.1	Very high	65 Å²	65	42.5 Å²	42.5	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	18.2	-178.2	0	0	0	0	0	114.4	L202 K203 S204	L202-G206 PolarHBondContact O-N 2.99Å; K203-G206 PolarHBondContact O-N 3.36Å; S204-G206 PolarHBondContact O-N 3.21Å
207	I	92.6	Very high	94.8	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	25%	0.248	C	C	.	.			trans	-94.3	119.1	-176.5	-57.5	170.8	0	0	0	109.3	L202 A205 V240 T248 K251 V252	L202-I207 HydrophobicContact CB-CB 4.5Å; L202-I207 HydrophobicContact CD2-CB 4.46Å; L202-I207 HydrophobicContact CD2-CD1 3.74Å; L202-I207 WeakPolarHBondContact O-CB 3.48Å; L202-I207 PolarHBondContact O-N 3.1Å; A205-I207 HydrophobicContact CB-CD1 4.1Å; A205-I207 HydrophobicContact CB-CG1 4.24Å; I207-V240 HydrophobicContact CG2-CB 4.23Å; I207-V240 HydrophobicContact CG2-CG1 4.09Å; I207-T248 HydrophobicContact CD1-CG2 4.14Å; I207-T248 HydrophobicContact CG1-CG2 4.25Å; I207-T248 HydrophobicContact CG2-CG2 4.45Å; I207-K251 HydrophobicContact CD1-CB 3.79Å; I207-V252 HydrophobicContact CD1-CG2 3.81Å
208	P	90.9	Very high	94.6	Very high	78 Å²	78	39.6 Å²	39.6	51%	0.506	24%	0.239	S	C	.	.			trans	-71.4	132.3	177.5	29.4	-33.8	0	0	0	110.9	V240 D241	P208-V240 WeakPolarHBondContact O-CA 3.18Å; P208-D241 HydrophobicContact CG-CB 4.13Å
209	I	94.3	Very high	94.5	Very high	37 Å²	37	39.6 Å²	39.6	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.8	177.4	-47.4	168.9	0	0	0	107.8	R199 L202 K203 I212 V238 S239	R199-I209 HydrophobicContact CB-CD1 4.36Å; R199-I209 HydrophobicContact CG-CD1 3.76Å; R199-I209 WeakPolarHBondContact O-CD1 3.39Å; L202-I209 HydrophobicContact CB-CD1 3.73Å; L202-I209 HydrophobicContact CB-CG1 4.16Å; L202-I209 HydrophobicContact CD1-CD1 4.08Å; L202-I209 HydrophobicContact CD1-CG1 4.39Å; K203-I209 HydrophobicContact CG-CD1 4.11Å; I209-I212 HydrophobicContact CG2-CG1 4.31Å; I209-V238 HydrophobicContact CG2-CG1 4.01Å; I209-S239 CarbonylContact C-O 3.38Å
210	R	94.4	Very high	94.4	Very high	146 Å²	146	39 Å²	39	55%	0.551	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	-39.4	179.8	-63.2	179.7	-78.2	165.1	-2.8	112.3	S239 V240 V487 D488	R210-S239 PolarHBondContact N-O 3.35Å; R210-V240 PolarHBondContact NE-O 3.01Å; R210-V240 PolarHBondContact NH2-O 3.26Å; R210-V487 PolarHBondContact NH2-O 2.94Å; R210-D488 PolarHBondContact NH2-O 2.98Å
211	N	95.5	Very high	94.3	Very high	34 Å²	34	40.1 Å²	40.1	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	165.6	169.3	52.6	63	0	0	0	111.6	R213 S239 D506	N211-R213 WeakPolarHBondContact OD1-CD 3.44Å; N211-R213 PolarHBondContact OD1-NE 3.01Å; N211-S239 PolarHBondContact O-N 2.93Å; N211-S239 WeakPolarHBondContact OD1-CB 3.27Å; N211-S239 PolarHBondContact OD1-OG 3.44Å; N211-D506 WeakPolarHBondContact CA-OD2 3.44Å; N211-D506 WeakPolarHBondContact CB-OD2 3.45Å
212	I	97.8	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.9	163.9	-55.9	-171.8	0	0	0	109.3	L195 R199 I209 V236 L237 V238 L505 D506 L509	L195-I212 HydrophobicContact CD2-CG2 4.18Å; R199-I212 HydrophobicContact CB-CD1 3.91Å; R199-I212 HydrophobicContact CG-CD1 4.01Å; I209-I212 HydrophobicContact CG2-CG1 4.31Å; I212-V236 HydrophobicContact CG2-CG1 3.91Å; I212-L237 WeakPolarHBondContact CA-O 3.38Å; I212-V238 HydrophobicContact CG1-CG1 4.31Å; I212-L505 HydrophobicContact CG2-CB 4.49Å; I212-L505 HydrophobicContact CG2-CD1 4.18Å; I212-L505 PolarHBondContact O-N 3.29Å; I212-D506 PolarHBondContact N-OD2 3.45Å; I212-L509 HydrophobicContact CB-CD1 4.38Å; I212-L509 HydrophobicContact CD1-CD1 4.07Å
213	R	98.1	Very high	94.2	Very high	30 Å²	30	37.6 Å²	37.6	11%	0.113	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.4	-179.6	-65.5	165.1	170.1	-126.6	-8.9	111.9	N211 L237 I503 V504 E531	N211-R213 WeakPolarHBondContact OD1-CD 3.44Å; N211-R213 PolarHBondContact OD1-NE 3.01Å; R213-L237 HydrophobicContact CB-CB 4.26Å; R213-L237 PolarHBondContact N-O 2.94Å; R213-L237 PolarHBondContact O-N 2.89Å; R213-I503 CarbonylContact C-O 3.6Å; R213-I503 WeakPolarHBondContact CA-O 3.39Å; R213-V504 HydrophobicContact CG-CG2 4.2Å; R213-E531 IonicContact CZ-OE2 3.83Å; R213-E531 IonicContact NH1-OE2 2.72Å; R213-E531 PolarHBondContact NH1-OE2 2.86Å; R213-E531 IonicContact NH2-OE2 2.74Å; R213-E531 PolarHBondContact NH2-OE2 3.48Å
214	L	97.5	Very high	94.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.1	163	-172.9	71.8	0	0	0	108.9	L167 A218 I222 I234 Q502 I503 L505	L167-L214 HydrophobicContact CD1-CD2 4.01Å; L214-A218 HydrophobicContact CD1-CB 4.08Å; L214-A218 HydrophobicContact CD2-CB 4.11Å; L214-A218 HydrophobicContact CG-CB 4.21Å; L214-I222 HydrophobicContact CD2-CD1 3.46Å; L214-I222 VanDerWaalsContact CD2-CD1 3.46Å; L214-I234 HydrophobicContact CD1-CG2 4.22Å; L214-Q502 CarbonylContact O-C 3.54Å; L214-Q502 WeakPolarHBondContact O-CA 3.4Å; L214-I503 HydrophobicContact CB-CB 4.45Å; L214-I503 PolarHBondContact N-O 2.83Å; L214-I503 PolarHBondContact O-N 2.97Å; L214-L505 HydrophobicContact CB-CD1 4.14Å; L214-L505 HydrophobicContact CB-CD2 3.98Å; L214-L505 HydrophobicContact CB-CG 4.32Å
215	N	94.9	Very high	93.4	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.112	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	-177.7	-174.8	-173.2	47.8	0	0	0	111.8	A219 D235 L237 F501 Q502	N215-A219 PolarHBondContact O-N 2.92Å; N215-D235 HydrophobicContact CB-CB 3.88Å; N215-D235 PolarHBondContact N-O 3.22Å; N215-L237 HydrophobicContact CB-CD1 3.98Å; N215-L237 HydrophobicContact CB-CD2 4.36Å; N215-L237 HydrophobicContact CB-CG 3.83Å; N215-F501 PolarHBondContact OD1-O 2.91Å; N215-Q502 HydrophobicContact CB-CG 4.47Å; N215-Q502 VanDerWaalsContact OD1-CG 3.32Å; N215-Q502 WeakPolarHBondContact OD1-CG 3.26Å
216	G	90.5	Very high	92.4	Very high	8 Å²	8	37 Å²	37	8%	0.082	20%	0.201	C	C	.	.	H	α-helix	trans	66.1	-144.9	162.8	0	0	0	0	0	114.4	A218 A219 S220	G216-A218 VanDerWaalsContact C-N 3.28Å; G216-A218 PolarHBondContact O-N 3.3Å; G216-A219 PolarHBondContact O-N 2.69Å; G216-S220 WeakPolarHBondContact O-CB 3.43Å; G216-S220 PolarHBondContact O-N 3.35Å; G216-S220 PolarHBondContact O-OG 2.9Å
217	G	90	Very high	91.3	Very high	29 Å²	29	41 Å²	41	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-59.4	-38.4	-176.9	0	0	0	0	0	112.9	S220 Y221 Y231	G217-S220 PolarHBondContact O-N 3.11Å; G217-Y221 WeakPolarHBondContact O-CB 3.1Å; G217-Y221 PolarHBondContact O-N 3.14Å; G217-Y231 VanDerWaalsContact C-CB 3.46Å
218	A	93.1	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-41.8	-179.3	0	0	0	0	0	112.7	L214 G216 I222 Y231	L214-A218 HydrophobicContact CD1-CB 4.08Å; L214-A218 HydrophobicContact CD2-CB 4.11Å; L214-A218 HydrophobicContact CG-CB 4.21Å; G216-A218 VanDerWaalsContact C-N 3.28Å; G216-A218 PolarHBondContact O-N 3.3Å; A218-I222 WeakPolarHBondContact O-CD1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.42Å; A218-I222 PolarHBondContact O-N 3.02Å; A218-Y231 HydrophobicContact CB-CD1 4.4Å; A218-Y231 HydrophobicContact CB-CD2 4.08Å; A218-Y231 HydrophobicContact CB-CE2 4.49Å; A218-Y231 HydrophobicContact CB-CG 4.03Å
219	A	96	Very high	88.9	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-42	173.9	0	0	0	0	0	111.9	N215 G216 I222 I223 F501 I503	N215-A219 PolarHBondContact O-N 2.92Å; G216-A219 PolarHBondContact O-N 2.69Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I223 PolarHBondContact O-N 3Å; A219-I223 VanDerWaalsContact O-N 3.11Å; A219-F501 HydrophobicContact CB-CB 4.23Å; A219-F501 VanDerWaalsContact CB-O 3.24Å; A219-F501 WeakPolarHBondContact CB-O 3.47Å; A219-I503 HydrophobicContact CB-CD1 4.13Å; A219-I503 HydrophobicContact CB-CG1 4.12Å
220	S	94.6	Very high	88	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-41.7	178.6	-50.3	0	0	0	0	111.7	G216 G217 I222 I223 G224 V498	G216-S220 WeakPolarHBondContact O-CB 3.43Å; G216-S220 PolarHBondContact O-N 3.35Å; G216-S220 PolarHBondContact O-OG 2.9Å; G217-S220 PolarHBondContact O-N 3.11Å; S220-I222 PolarHBondContact O-N 2.9Å; S220-I223 PolarHBondContact O-N 3.39Å; S220-G224 PolarHBondContact O-N 2.95Å; S220-V498 PolarHBondContact OG-O 2.9Å
221	Y	93.8	Very high	87.5	Confident	54 Å²	54	38.9 Å²	38.9	21%	0.212	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-45.7	172.8	166.2	-101.2	0	0	0	112.8	R166 V170 G217 I223 Y231	R166-Y221 VanDerWaalsContact CZ-O 3.3Å; R166-Y221 PolarHBondContact NH1-O 3.42Å; R166-Y221 VanDerWaalsContact NH1-O 3.11Å; R166-Y221 PolarHBondContact NH2-O 3.38Å; V170-Y221 HydrophobicContact CG2-CD1 4.34Å; V170-Y221 HydrophobicContact CG2-CE1 4.04Å; G217-Y221 WeakPolarHBondContact O-CB 3.1Å; G217-Y221 PolarHBondContact O-N 3.14Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.19Å; Y221-Y231 AromaticContact CD1-CD1 3.99Å; Y221-Y231 HydrophobicContact CD1-CD1 3.99Å; Y221-Y231 HydrophobicContact CD1-CE1 4Å; Y221-Y231 HydrophobicContact CE1-CE1 4.33Å; Y221-Y231 HydrophobicContact CG-CD1 4.06Å; Y221-Y231 HydrophobicContact CG-CE1 4.5Å
222	I	95	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-32.7	-179.7	-72.2	160.5	0	0	0	112.3	R163 R166 L167 V170 L214 A218 A219 S220 I503	R163-I222 WeakPolarHBondContact CG-O 3.24Å; R163-I222 WeakPolarHBondContact O-CG2 3.41Å; R166-I222 PolarHBondContact NH1-O 3.28Å; L167-I222 HydrophobicContact CB-CD1 4.17Å; L167-I222 HydrophobicContact CB-CG2 4.08Å; L167-I222 HydrophobicContact CD1-CD1 3.71Å; V170-I222 HydrophobicContact CB-CD1 4.28Å; V170-I222 HydrophobicContact CG1-CD1 4.42Å; V170-I222 HydrophobicContact CG2-CD1 4.27Å; V170-I222 HydrophobicContact CG2-CG1 4.33Å; L214-I222 HydrophobicContact CD2-CD1 3.46Å; L214-I222 VanDerWaalsContact CD2-CD1 3.46Å; A218-I222 WeakPolarHBondContact O-CD1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.42Å; A218-I222 PolarHBondContact O-N 3.02Å; A219-I222 PolarHBondContact O-N 3.39Å; S220-I222 PolarHBondContact O-N 2.9Å; I222-I503 HydrophobicContact CB-CD1 3.94Å; I222-I503 HydrophobicContact CD1-CD1 4.24Å; I222-I503 HydrophobicContact CG2-CD1 3.65Å
223	I	95.3	Very high	86.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-87.5	-33.9	-177.9	-72.8	161.7	0	0	0	111.8	L159 R163 A219 S220 Y221 F501 I503 A530 F537 L541 L544	L159-I223 HydrophobicContact CD2-CG1 4.24Å; R163-I223 PolarHBondContact NE-O 3.44Å; R163-I223 PolarHBondContact NH2-O 3.19Å; A219-I223 PolarHBondContact O-N 3Å; A219-I223 VanDerWaalsContact O-N 3.11Å; S220-I223 PolarHBondContact O-N 3.39Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.19Å; I223-F501 HydrophobicContact CD1-CB 3.65Å; I223-F501 HydrophobicContact CD1-CD1 3.66Å; I223-F501 HydrophobicContact CD1-CE1 4.48Å; I223-F501 HydrophobicContact CD1-CG 3.78Å; I223-F501 HydrophobicContact CG2-CD1 4.12Å; I223-F501 HydrophobicContact CG2-CE1 3.89Å; I223-F501 HydrophobicContact CG2-CZ 4.12Å; I223-I503 HydrophobicContact CD1-CD1 3.97Å; I223-I503 HydrophobicContact CD1-CG1 3.89Å; I223-I503 HydrophobicContact CG1-CD1 4.18Å; I223-A530 HydrophobicContact CD1-CB 3.89Å; I223-F537 HydrophobicContact CD1-CE2 4.3Å; I223-F537 HydrophobicContact CD1-CZ 4.03Å; I223-F537 HydrophobicContact CG1-CZ 4.36Å; I223-F537 HydrophobicContact CG2-CE1 4.29Å; I223-F537 HydrophobicContact CG2-CZ 3.91Å; I223-L541 HydrophobicContact CG2-CD1 3.91Å; I223-L544 HydrophobicContact CB-CD2 4.4Å; I223-L544 HydrophobicContact CG2-CD2 3.95Å
224	G	90.6	Very high	86	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-66	175.5	174.1	0	0	0	0	0	113.3	R166 S220	R166-G224 PolarHBondContact NH1-O 3.47Å; S220-G224 PolarHBondContact O-N 2.95Å
225	Q	82	Confident	85.8	Confident	106 Å²	106	42.5 Å²	42.5	50%	0.495	23%	0.227	S	C	.	.			trans	-71.7	178.3	173.1	-65.6	172	8.4	0	0	110.6	R166 Y228 E545	R166-Q225 PolarHBondContact NH2-O 2.97Å; Q225-Y228 VanDerWaalsContact O-CB 3.26Å; Q225-Y228 WeakPolarHBondContact O-CB 3.39Å; Q225-Y228 PolarHBondContact O-N 3.35Å; Q225-E545 HydrophobicContact CG-CG 4.34Å; Q225-E545 VanDerWaalsContact NE2-CD 3.31Å; Q225-E545 PolarHBondContact NE2-OE1 3.13Å
226	E	71	Confident	85.9	Confident	154 Å²	154	41.5 Å²	41.5	72%	0.72	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.3	-173	-57.5	-161.8	136.1	0	0	112.6	Y228	E226-Y228 PolarHBondContact O-N 3.33Å
227	D	69.6	Low	86.3	Confident	149 Å²	149	41.8 Å²	41.8	80%	0.797	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	4.1	174	-52.6	-42.3	0	0	0	114.5
228	Y	69.6	Low	86.6	Confident	34 Å²	34	40.4 Å²	40.4	13%	0.133	21%	0.207	C	C	.	.	S	Bend	trans	-77	134	-175.4	-159.4	-88.2	0	0	0	111.5	Q225 E226 L544 Y573	Q225-Y228 VanDerWaalsContact O-CB 3.26Å; Q225-Y228 WeakPolarHBondContact O-CB 3.39Å; Q225-Y228 PolarHBondContact O-N 3.35Å; E226-Y228 PolarHBondContact O-N 3.33Å; Y228-L544 HydrophobicContact CD2-CD1 4.3Å; Y228-L544 HydrophobicContact CD2-CG 4.21Å; Y228-L544 HydrophobicContact CE1-CD1 4.17Å; Y228-L544 HydrophobicContact CE2-CD1 3.38Å; Y228-L544 HydrophobicContact CE2-CG 3.65Å; Y228-L544 WeakPolarHBondContact OH-CD1 3.41Å; Y228-Y573 WeakPolarHBondContact CE2-OH 3.49Å; Y228-Y573 PolarHBondContact OH-OH 3.04Å
229	P	63.8	Low	86.8	Confident	53 Å²	53	41.3 Å²	41.3	34%	0.344	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-58	151.4	-170.6	20.1	-34.2	0	0	0	115.2
230	V	75	Confident	86.7	Confident	105 Å²	105	41.3 Å²	41.3	64%	0.636	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-59.5	133.4	179.2	-174.7	0	0	0	0	111.4
231	Y	84.4	Confident	86.4	Confident	33 Å²	33	43 Å²	43	13%	0.129	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-73.3	139.4	170.8	61.7	-90.3	0	0	0	111.1	V170 G217 A218 Y221 D233 I234 K480	V170-Y231 HydrophobicContact CG2-CE1 4.37Å; G217-Y231 VanDerWaalsContact C-CB 3.46Å; A218-Y231 HydrophobicContact CB-CD1 4.4Å; A218-Y231 HydrophobicContact CB-CD2 4.08Å; A218-Y231 HydrophobicContact CB-CE2 4.49Å; A218-Y231 HydrophobicContact CB-CG 4.03Å; Y221-Y231 AromaticContact CD1-CD1 3.99Å; Y221-Y231 HydrophobicContact CD1-CD1 3.99Å; Y221-Y231 HydrophobicContact CD1-CE1 4Å; Y221-Y231 HydrophobicContact CE1-CE1 4.33Å; Y221-Y231 HydrophobicContact CG-CD1 4.06Å; Y221-Y231 HydrophobicContact CG-CE1 4.5Å; Y231-D233 WeakPolarHBondContact CD2-O 3.43Å; Y231-I234 HydrophobicContact CD2-CG1 4.42Å; Y231-I234 HydrophobicContact CE2-CD1 4.41Å; Y231-I234 HydrophobicContact CE2-CG1 3.92Å; Y231-K480 HydrophobicContact CD2-CD 3.97Å; Y231-K480 HydrophobicContact CE2-CD 3.61Å; Y231-K480 VanDerWaalsContact CE2-NZ 3.28Å; Y231-K480 WeakPolarHBondContact O-CE 3.35Å; Y231-K480 PolarHBondContact O-NZ 2.55Å
232	N	80.4	Confident	86.1	Confident	53 Å²	53	40.8 Å²	40.8	28%	0.283	21%	0.214	S	C	.	.	S	Bend	trans	-80.2	-33.6	179.4	-29.6	-64	0	0	0	111.3	K480 R567	N232-K480 WeakPolarHBondContact O-CD 3.24Å; N232-K480 WeakPolarHBondContact O-CG 3Å; N232-R567 PolarHBondContact ND2-NH1 3.26Å; N232-R567 PolarHBondContact OD1-NH1 3.05Å; N232-R567 PolarHBondContact OD1-NH2 3.4Å
233	D	85.4	Confident	85.1	Confident	49 Å²	49	44.6 Å²	44.6	26%	0.262	24%	0.241	S	C	.	.	S	Bend	trans	-142	160.3	-156.1	31.6	12.1	0	0	0	111.4	Y231	Y231-D233 WeakPolarHBondContact CD2-O 3.43Å
234	I	92.6	Very high	83.9	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	94.8	-177.7	-59.5	178.9	0	0	0	109.2	I175 L191 L214 Y231 V236 V481 I482 E483	I175-I234 HydrophobicContact CD1-CD1 4.03Å; L191-I234 HydrophobicContact CD1-CG2 4.27Å; L191-I234 HydrophobicContact CD2-CD1 4.37Å; L191-I234 HydrophobicContact CD2-CG2 3.52Å; L214-I234 HydrophobicContact CD1-CG2 4.22Å; Y231-I234 HydrophobicContact CD2-CG1 4.42Å; Y231-I234 HydrophobicContact CE2-CD1 4.41Å; Y231-I234 HydrophobicContact CE2-CG1 3.92Å; I234-V236 HydrophobicContact CG2-CG2 4.24Å; I234-V481 PolarHBondContact N-O 2.72Å; I234-I482 HydrophobicContact CB-CG2 4.47Å; I234-I482 HydrophobicContact CG2-CG2 4.25Å; I234-E483 PolarHBondContact O-N 2.86Å
235	D	94.9	Very high	83	Confident	35 Å²	35	52.7 Å²	52.7	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.6	176	-69.6	-61.9	0	0	0	111.9	N215	N215-D235 HydrophobicContact CB-CB 3.88Å; N215-D235 PolarHBondContact N-O 3.22Å
236	V	97.3	Very high	82.6	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.4	174.9	-178.4	0	0	0	0	109.6	L195 I212 I234 V238 I482 E483 F484 K485	L195-V236 HydrophobicContact CD2-CB 4.45Å; L195-V236 HydrophobicContact CD2-CG1 3.55Å; L195-V236 HydrophobicContact CD2-CG2 4.1Å; I212-V236 HydrophobicContact CG2-CG1 3.91Å; I234-V236 HydrophobicContact CG2-CG2 4.24Å; V236-V238 HydrophobicContact CG1-CG2 3.95Å; V236-I482 HydrophobicContact CG2-CG2 4.29Å; V236-E483 PolarHBondContact N-O 3.47Å; V236-F484 HydrophobicContact CB-CD1 4.19Å; V236-F484 HydrophobicContact CB-CE1 4.41Å; V236-F484 HydrophobicContact CG1-CD1 4.04Å; V236-F484 HydrophobicContact CG1-CE1 4.06Å; V236-K485 PolarHBondContact O-N 3.19Å
237	L	97.4	Very high	83.2	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.8	169.7	-49	179.5	0	0	0	109.5	I212 R213 N215 K485 Q502	I212-L237 WeakPolarHBondContact CA-O 3.38Å; R213-L237 HydrophobicContact CB-CB 4.26Å; R213-L237 PolarHBondContact N-O 2.94Å; R213-L237 PolarHBondContact O-N 2.89Å; N215-L237 HydrophobicContact CB-CD1 3.98Å; N215-L237 HydrophobicContact CB-CD2 4.36Å; N215-L237 HydrophobicContact CB-CG 3.83Å; L237-K485 WeakPolarHBondContact CA-O 3.33Å; L237-K485 HydrophobicContact CD2-CB 3.81Å; L237-K485 HydrophobicContact CD2-CD 3.97Å; L237-K485 HydrophobicContact CD2-CG 4.37Å; L237-Q502 VanDerWaalsContact CD1-CD 3.46Å; L237-Q502 HydrophobicContact CD1-CG 4.03Å
238	V	97.5	Very high	84.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105.6	173.9	-172.1	0	0	0	0	107.7	L202 I209 I212 V236 V240 F484 K485 F486 V487	L202-V238 HydrophobicContact CD1-CG1 4.12Å; I209-V238 HydrophobicContact CG2-CG1 4.01Å; I212-V238 HydrophobicContact CG1-CG1 4.31Å; V236-V238 HydrophobicContact CG1-CG2 3.95Å; V238-V240 HydrophobicContact CG1-CG1 3.96Å; V238-V240 PolarHBondContact O-N 3.5Å; V238-F484 HydrophobicContact CG2-CD1 4.09Å; V238-K485 PolarHBondContact N-O 2.95Å; V238-F486 HydrophobicContact CB-CD1 3.66Å; V238-F486 HydrophobicContact CB-CE1 3.69Å; V238-F486 HydrophobicContact CG1-CD1 4Å; V238-F486 HydrophobicContact CG1-CE1 3.94Å; V238-F486 HydrophobicContact CG2-CD1 4.22Å; V238-F486 HydrophobicContact CG2-CE1 3.76Å; V238-F486 HydrophobicContact CG2-CZ 4.39Å; V238-F486 WeakPolarHBondContact O-CA 3.36Å; V238-V487 PolarHBondContact O-N 3.13Å
239	S	96.1	Very high	84.9	Confident	20 Å²	20	40.5 Å²	40.5	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	109.5	-178.7	-60.5	0	0	0	0	109.4	I209 R210 N211 V487	I209-S239 CarbonylContact C-O 3.38Å; R210-S239 PolarHBondContact N-O 3.35Å; N211-S239 PolarHBondContact O-N 2.93Å; N211-S239 WeakPolarHBondContact OD1-CB 3.27Å; N211-S239 PolarHBondContact OD1-OG 3.44Å; S239-V487 WeakPolarHBondContact CA-O 3.28Å
240	V	94.2	Very high	86.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	179	-177.9	-69.9	0	0	0	0	110.5	I207 P208 R210 V238 L242 F486 V487	I207-V240 HydrophobicContact CG2-CB 4.23Å; I207-V240 HydrophobicContact CG2-CG1 4.09Å; P208-V240 WeakPolarHBondContact O-CA 3.18Å; R210-V240 PolarHBondContact NE-O 3.01Å; R210-V240 PolarHBondContact NH2-O 3.26Å; V238-V240 HydrophobicContact CG1-CG1 3.96Å; V238-V240 PolarHBondContact O-N 3.5Å; V240-L242 HydrophobicContact CG2-CD2 3.78Å; V240-L242 HydrophobicContact CG2-CG 3.88Å; V240-F486 HydrophobicContact CG1-CD1 4.45Å; V240-F486 HydrophobicContact CG2-CB 4Å; V240-V487 PolarHBondContact N-O 3.49Å; V240-V487 VanDerWaalsContact O-O 3.05Å
241	D	89.5	Confident	86.9	Confident	38 Å²	38	43.2 Å²	43.2	20%	0.203	25%	0.247	C	C	.	.			trans	-98.7	135.5	154.9	173.9	37.3	0	0	0	109.4	P208 S243 S244	P208-D241 HydrophobicContact CG-CB 4.13Å; D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.34Å; D241-S243 PolarHBondContact OD1-OG 2.84Å; D241-S244 VanDerWaalsContact OD2-CB 3.26Å; D241-S244 WeakPolarHBondContact OD2-CB 3.08Å; D241-S244 PolarHBondContact OD2-N 3.11Å; D241-S244 PolarHBondContact OD2-OG 3.5Å
242	L	86.4	Confident	87.4	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.037	24%	0.242	C	C	.	.			trans	-118.8	-15.3	173.3	-61.8	177.4	0	0	0	111.8	V240 S244 T248 V252 F460 D488	V240-L242 HydrophobicContact CG2-CD2 3.78Å; V240-L242 HydrophobicContact CG2-CG 3.88Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.43Å; L242-T248 HydrophobicContact CD2-CG2 4.01Å; L242-V252 HydrophobicContact CD2-CG2 4.33Å; L242-F460 HydrophobicContact CB-CE1 4.37Å; L242-F460 HydrophobicContact CD1-CE1 4.13Å; L242-D488 HydrophobicContact CB-CB 3.91Å; L242-D488 HydrophobicContact CD1-CB 4.31Å; L242-D488 HydrophobicContact CG-CB 4.07Å
243	S	74.9	Confident	88	Confident	81 Å²	81	40.5 Å²	40.5	57%	0.566	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.6	-174.6	67.6	0	0	0	0	113.5	D241 N245 D488	D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.34Å; D241-S243 PolarHBondContact OD1-OG 2.84Å; S243-N245 PolarHBondContact O-N 3.29Å; S243-D488 PolarHBondContact N-OD2 2.81Å
244	S	70.2	Confident	88.4	Confident	92 Å²	92	40.8 Å²	40.8	64%	0.643	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.5	-172.5	-70.4	0	0	0	0	116	D241 L242	D241-S244 VanDerWaalsContact OD2-CB 3.26Å; D241-S244 WeakPolarHBondContact OD2-CB 3.08Å; D241-S244 PolarHBondContact OD2-N 3.11Å; D241-S244 PolarHBondContact OD2-OG 3.5Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.43Å
245	N	71.4	Confident	88.5	Confident	80 Å²	80	40.9 Å²	40.9	43%	0.428	24%	0.241	S	C	.	.			trans	-167.1	134.4	-174.9	-160.1	-68.6	0	0	0	113.1	S243 S247 T248	S243-N245 PolarHBondContact O-N 3.29Å; N245-S247 VanDerWaalsContact C-N 3.26Å; N245-S247 PolarHBondContact O-N 2.94Å; N245-S247 VanDerWaalsContact OD1-CB 3.28Å; N245-S247 WeakPolarHBondContact OD1-CB 3.27Å; N245-S247 PolarHBondContact OD1-N 3.38Å; N245-S247 PolarHBondContact OD1-OG 2.87Å; N245-T248 WeakPolarHBondContact O-CB 3.45Å; N245-T248 PolarHBondContact O-N 2.84Å; N245-T248 PolarHBondContact O-OG1 2.73Å
246	S	72.3	Confident	88.6	Confident	102 Å²	102	39.2 Å²	39.2	71%	0.713	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.3	176.4	58	0	0	0	0	113.6	T248 I249	S246-T248 PolarHBondContact O-N 3.05Å; S246-I249 WeakPolarHBondContact O-CD1 3.5Å
247	S	85.1	Confident	88.5	Confident	45 Å²	45	39.5 Å²	39.5	32%	0.315	23%	0.233	S	C	.	.	H	α-helix	trans	-69.7	-16.9	173.8	72.3	0	0	0	0	113.7	N245 I249 Q250 K251	N245-S247 VanDerWaalsContact C-N 3.26Å; N245-S247 PolarHBondContact O-N 2.94Å; N245-S247 VanDerWaalsContact OD1-CB 3.28Å; N245-S247 WeakPolarHBondContact OD1-CB 3.27Å; N245-S247 PolarHBondContact OD1-N 3.38Å; N245-S247 PolarHBondContact OD1-OG 2.87Å; S247-I249 PolarHBondContact O-N 2.89Å; S247-Q250 PolarHBondContact O-N 2.89Å; S247-Q250 VanDerWaalsContact O-N 3.08Å; S247-K251 WeakPolarHBondContact O-CG 3.38Å; S247-K251 PolarHBondContact O-N 3.36Å
248	T	87.6	Confident	88.4	Confident	13 Å²	13	41.6 Å²	41.6	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-36.3	177.5	-60.7	0	0	0	0	111.3	I207 L242 N245 S246 Q250 K251 V252	I207-T248 HydrophobicContact CD1-CG2 4.14Å; I207-T248 HydrophobicContact CG1-CG2 4.25Å; I207-T248 HydrophobicContact CG2-CG2 4.45Å; L242-T248 HydrophobicContact CD2-CG2 4.01Å; N245-T248 WeakPolarHBondContact O-CB 3.45Å; N245-T248 PolarHBondContact O-N 2.84Å; N245-T248 PolarHBondContact O-OG1 2.73Å; S246-T248 PolarHBondContact O-N 3.05Å; T248-Q250 VanDerWaalsContact C-N 3.34Å; T248-Q250 PolarHBondContact O-N 2.98Å; T248-K251 PolarHBondContact O-N 3.29Å; T248-V252 HydrophobicContact CG2-CG2 4.35Å; T248-V252 WeakPolarHBondContact O-CB 3.37Å; T248-V252 VanDerWaalsContact O-CG2 3.3Å; T248-V252 WeakPolarHBondContact O-CG2 3.49Å; T248-V252 PolarHBondContact O-N 2.85Å
249	I	86.6	Confident	88.3	Confident	28 Å²	28	41.6 Å²	41.6	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-42.2	179	-47.4	158.2	0	0	0	110.9	S246 S247 V252 K253 F460	S246-I249 WeakPolarHBondContact O-CD1 3.5Å; S247-I249 PolarHBondContact O-N 2.89Å; I249-V252 PolarHBondContact O-N 3.11Å; I249-K253 PolarHBondContact O-N 2.68Å; I249-F460 HydrophobicContact CD1-CD2 4.2Å; I249-F460 HydrophobicContact CD1-CE1 4.02Å; I249-F460 HydrophobicContact CD1-CE2 3.3Å; I249-F460 HydrophobicContact CD1-CZ 3.23Å; I249-F460 HydrophobicContact CG1-CE1 4.21Å; I249-F460 HydrophobicContact CG1-CE2 4.12Å; I249-F460 HydrophobicContact CG1-CZ 3.54Å; I249-F460 HydrophobicContact CG2-CZ 4.43Å
250	Q	89	Confident	88.3	Confident	119 Å²	119	40.7 Å²	40.7	56%	0.556	24%	0.238	S	C	*	.	H	α-helix	trans	-72.1	-38	177.2	-61.9	-64.4	-0.8	0	0	111.3	S247 T248 V252 K253 S254	S247-Q250 PolarHBondContact O-N 2.89Å; S247-Q250 VanDerWaalsContact O-N 3.08Å; T248-Q250 VanDerWaalsContact C-N 3.34Å; T248-Q250 PolarHBondContact O-N 2.98Å; Q250-V252 VanDerWaalsContact C-N 3.34Å; Q250-V252 PolarHBondContact O-N 2.88Å; Q250-K253 PolarHBondContact O-N 3.46Å; Q250-S254 WeakPolarHBondContact O-CB 3.45Å; Q250-S254 PolarHBondContact O-N 3Å; Q250-S254 PolarHBondContact O-OG 3.1Å
251	K	92.6	Very high	88.3	Confident	95 Å²	95	41.9 Å²	41.9	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-40.1	171.6	-66.9	177.9	-177.3	-176	0	112.1	I207 S247 T248 A255	I207-K251 HydrophobicContact CD1-CB 3.79Å; S247-K251 WeakPolarHBondContact O-CG 3.38Å; S247-K251 PolarHBondContact O-N 3.36Å; T248-K251 PolarHBondContact O-N 3.29Å; K251-A255 WeakPolarHBondContact O-CB 3.24Å; K251-A255 PolarHBondContact O-N 2.97Å
252	V	93.8	Very high	88.5	Confident	2 Å²	2	44 Å²	44	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-51.2	172.7	165.6	0	0	0	0	110.3	L202 I207 L242 T248 I249 Q250 S254 A255 V256 F486	L202-V252 HydrophobicContact CD2-CB 4.33Å; L202-V252 HydrophobicContact CD2-CG2 3.89Å; I207-V252 HydrophobicContact CD1-CG2 3.81Å; L242-V252 HydrophobicContact CD2-CG2 4.33Å; T248-V252 HydrophobicContact CG2-CG2 4.35Å; T248-V252 WeakPolarHBondContact O-CB 3.37Å; T248-V252 VanDerWaalsContact O-CG2 3.3Å; T248-V252 WeakPolarHBondContact O-CG2 3.49Å; T248-V252 PolarHBondContact O-N 2.85Å; I249-V252 PolarHBondContact O-N 3.11Å; Q250-V252 VanDerWaalsContact C-N 3.34Å; Q250-V252 PolarHBondContact O-N 2.88Å; V252-S254 PolarHBondContact O-N 3.27Å; V252-A255 PolarHBondContact O-N 3.49Å; V252-V256 WeakPolarHBondContact O-CG2 3.32Å; V252-V256 PolarHBondContact O-N 2.96Å; V252-V256 VanDerWaalsContact O-N 3.08Å; V252-F486 HydrophobicContact CG1-CB 4.24Å; V252-F486 HydrophobicContact CG1-CD1 3.61Å; V252-F486 HydrophobicContact CG1-CD2 3.38Å; V252-F486 HydrophobicContact CG1-CE1 3.82Å; V252-F486 HydrophobicContact CG1-CE2 3.57Å; V252-F486 HydrophobicContact CG1-CG 3.42Å; V252-F486 VanDerWaalsContact CG1-CG 3.42Å; V252-F486 HydrophobicContact CG1-CZ 3.81Å
253	K	93.4	Very high	88.9	Confident	28 Å²	28	46.3 Å²	46.3	12%	0.122	27%	0.272	C	S	.	.	H	α-helix	trans	-57.6	-50.5	178.5	-176.5	174.1	-179	178.8	0	111.3	I249 Q250 A255 V256 L257 E450 L470	I249-K253 PolarHBondContact O-N 2.68Å; Q250-K253 PolarHBondContact O-N 3.46Å; K253-A255 PolarHBondContact O-N 3.47Å; K253-V256 PolarHBondContact O-N 2.69Å; K253-L257 HydrophobicContact CD-CD1 4.47Å; K253-L257 HydrophobicContact CG-CD1 3.94Å; K253-L257 HydrophobicContact CG-CG 4.4Å; K253-L257 WeakPolarHBondContact O-CG 3.39Å; K253-L257 PolarHBondContact O-N 2.78Å; K253-E450 VanDerWaalsContact CE-OE1 3.22Å; K253-E450 WeakPolarHBondContact CE-OE1 3.3Å; K253-E450 WeakPolarHBondContact CE-OE2 3.42Å; K253-E450 IonicContact NZ-OE1 3.49Å; K253-E450 PolarHBondContact NZ-OE1 2.95Å; K253-E450 IonicContact NZ-OE2 3.98Å; K253-E450 PolarHBondContact NZ-OE2 3.36Å; K253-L470 HydrophobicContact CG-CD2 4.22Å
254	S	93.9	Very high	89.7	Confident	54 Å²	54	43.2 Å²	43.2	38%	0.378	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-46.9	176.9	-63.9	0	0	0	0	112	Q250 V252 V256 L257 D258	Q250-S254 WeakPolarHBondContact O-CB 3.45Å; Q250-S254 PolarHBondContact O-N 3Å; Q250-S254 PolarHBondContact O-OG 3.1Å; V252-S254 PolarHBondContact O-N 3.27Å; S254-V256 VanDerWaalsContact C-N 3.26Å; S254-V256 PolarHBondContact O-N 3.31Å; S254-L257 PolarHBondContact O-N 2.99Å; S254-D258 VanDerWaalsContact O-CB 3.24Å; S254-D258 WeakPolarHBondContact O-CB 3.48Å; S254-D258 PolarHBondContact O-N 2.92Å
255	A	95.3	Very high	90.4	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-36.8	179.4	0	0	0	0	0	113.1	N201 L202 K251 V252 K253 A259	N201-A255 HydrophobicContact CB-CB 3.77Å; N201-A255 WeakPolarHBondContact CB-O 3.32Å; N201-A255 PolarHBondContact ND2-O 2.81Å; L202-A255 HydrophobicContact CD2-CB 3.8Å; L202-A255 HydrophobicContact CG-CB 4.09Å; K251-A255 WeakPolarHBondContact O-CB 3.24Å; K251-A255 PolarHBondContact O-N 2.97Å; V252-A255 PolarHBondContact O-N 3.49Å; K253-A255 PolarHBondContact O-N 3.47Å; A255-A259 VanDerWaalsContact O-CB 3.3Å; A255-A259 WeakPolarHBondContact O-CB 3.42Å; A255-A259 PolarHBondContact O-N 2.93Å; A255-A259 VanDerWaalsContact O-N 3.14Å
256	V	96.3	Very high	90.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-46.1	175.4	177.4	0	0	0	0	112	V198 V252 K253 S254 A259 L260 L470 L472 F484 F486	V198-V256 HydrophobicContact CG1-CG2 4.02Å; V198-V256 HydrophobicContact CG2-CG1 4.45Å; V198-V256 HydrophobicContact CG2-CG2 4.38Å; V252-V256 WeakPolarHBondContact O-CG2 3.32Å; V252-V256 PolarHBondContact O-N 2.96Å; V252-V256 VanDerWaalsContact O-N 3.08Å; K253-V256 PolarHBondContact O-N 2.69Å; S254-V256 VanDerWaalsContact C-N 3.26Å; S254-V256 PolarHBondContact O-N 3.31Å; V256-A259 WeakPolarHBondContact O-CB 3.42Å; V256-A259 PolarHBondContact O-N 2.89Å; V256-L260 WeakPolarHBondContact O-CB 3.19Å; V256-L260 PolarHBondContact O-N 3.03Å; V256-L470 HydrophobicContact CB-CD2 4.02Å; V256-L470 HydrophobicContact CG1-CD2 3.87Å; V256-L472 HydrophobicContact CG1-CD1 3.78Å; V256-L472 HydrophobicContact CG1-CD2 4.35Å; V256-L472 HydrophobicContact CG1-CG 4.5Å; V256-F484 HydrophobicContact CG1-CD2 4.48Å; V256-F486 HydrophobicContact CG2-CE1 4.28Å; V256-F486 HydrophobicContact CG2-CE2 3.92Å; V256-F486 HydrophobicContact CG2-CZ 3.36Å
257	L	95.4	Very high	90.1	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-36.2	-180	-65.4	-178.4	0	0	0	111.9	K253 S254 A259 L260 I261 R449 V453 L472	K253-L257 HydrophobicContact CD-CD1 4.47Å; K253-L257 HydrophobicContact CG-CD1 3.94Å; K253-L257 HydrophobicContact CG-CG 4.4Å; K253-L257 WeakPolarHBondContact O-CG 3.39Å; K253-L257 PolarHBondContact O-N 2.78Å; S254-L257 PolarHBondContact O-N 2.99Å; L257-A259 VanDerWaalsContact C-N 3.34Å; L257-L260 PolarHBondContact O-N 3.12Å; L257-I261 VanDerWaalsContact O-CB 3.27Å; L257-I261 WeakPolarHBondContact O-CB 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.23Å; L257-R449 HydrophobicContact CB-CB 4.24Å; L257-R449 HydrophobicContact CD1-CB 4.07Å; L257-V453 HydrophobicContact CD1-CG2 4.28Å; L257-V453 HydrophobicContact CD2-CG2 3.79Å; L257-L472 HydrophobicContact CD2-CD2 4.17Å
258	D	95.2	Very high	88.9	Confident	57 Å²	57	50.8 Å²	50.8	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-37.6	174.4	-66.3	-16.5	0	0	0	111.2	S254 S262 R449	S254-D258 VanDerWaalsContact O-CB 3.24Å; S254-D258 WeakPolarHBondContact O-CB 3.48Å; S254-D258 PolarHBondContact O-N 2.92Å; D258-S262 PolarHBondContact O-N 2.98Å; D258-R449 IonicContact OD1-CZ 3.54Å; D258-R449 IonicContact OD1-NE 3.53Å; D258-R449 IonicContact OD1-NH1 3.03Å; D258-R449 PolarHBondContact OD1-NH1 3Å; D258-R449 IonicContact OD1-NH2 2.76Å; D258-R449 PolarHBondContact OD1-NH2 3.33Å; D258-R449 IonicContact OD2-NH1 3.38Å
259	A	96.3	Very high	87.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-46	173.1	0	0	0	0	0	111.1	L194 A197 V198 N201 A255 V256 L257 I261 S262 F263	L194-A259 HydrophobicContact CD1-CB 4.42Å; A197-A259 HydrophobicContact CB-CB 3.73Å; V198-A259 HydrophobicContact CB-CB 4.44Å; V198-A259 HydrophobicContact CG2-CB 3.68Å; N201-A259 WeakPolarHBondContact ND2-CA 3.38Å; N201-A259 PolarHBondContact ND2-N 3.06Å; N201-A259 VanDerWaalsContact ND2-N 3.11Å; A255-A259 VanDerWaalsContact O-CB 3.3Å; A255-A259 WeakPolarHBondContact O-CB 3.42Å; A255-A259 PolarHBondContact O-N 2.93Å; A255-A259 VanDerWaalsContact O-N 3.14Å; V256-A259 WeakPolarHBondContact O-CB 3.42Å; V256-A259 PolarHBondContact O-N 2.89Å; L257-A259 VanDerWaalsContact C-N 3.34Å; A259-I261 PolarHBondContact O-N 2.92Å; A259-S262 PolarHBondContact O-N 3.4Å; A259-S262 PolarHBondContact O-OG 3.3Å; A259-F263 WeakPolarHBondContact O-CD2 3.31Å; A259-F263 VanDerWaalsContact O-CE2 3.31Å; A259-F263 WeakPolarHBondContact O-CE2 3.26Å
260	L	95.1	Very high	85.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-45.6	176.9	179.7	64.7	0	0	0	111.8	I177 I187 L194 V256 L257 S262 F263 Y452 L472	I177-L260 HydrophobicContact CD1-CD1 3.65Å; I177-L260 HydrophobicContact CG2-CD1 4.25Å; I187-L260 HydrophobicContact CD1-CD1 3.81Å; I187-L260 HydrophobicContact CD1-CD2 4.38Å; I187-L260 HydrophobicContact CD1-CG 3.73Å; I187-L260 HydrophobicContact CG2-CD1 4.02Å; L194-L260 HydrophobicContact CD1-CB 4.48Å; V256-L260 WeakPolarHBondContact O-CB 3.19Å; V256-L260 PolarHBondContact O-N 3.03Å; L257-L260 PolarHBondContact O-N 3.12Å; L260-S262 VanDerWaalsContact C-N 3.25Å; L260-S262 PolarHBondContact O-N 2.97Å; L260-F263 PolarHBondContact O-N 3.24Å; L260-Y452 HydrophobicContact CD2-CD2 4.18Å; L260-Y452 HydrophobicContact CD2-CG 3.88Å; L260-L472 HydrophobicContact CD2-CD1 4.32Å; L260-L472 HydrophobicContact CD2-CD2 4.31Å
261	I	93.6	Very high	83.4	Confident	26 Å²	26	58 Å²	58	13%	0.133	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-25.8	-177.6	-71.1	-74.7	0	0	0	112.4	L257 A259 F263 L264 L448 R449 Y452	L257-I261 VanDerWaalsContact O-CB 3.27Å; L257-I261 WeakPolarHBondContact O-CB 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.23Å; A259-I261 PolarHBondContact O-N 2.92Å; I261-F263 PolarHBondContact O-N 2.61Å; I261-F263 VanDerWaalsContact O-N 3.16Å; I261-L264 HydrophobicContact CD1-CD1 3.86Å; I261-L264 HydrophobicContact CD1-CG 4.35Å; I261-L264 HydrophobicContact CG2-CD1 3.91Å; I261-L264 WeakPolarHBondContact O-CG 3.46Å; I261-L264 PolarHBondContact O-N 2.9Å; I261-L448 HydrophobicContact CD1-CD2 4.3Å; I261-L448 HydrophobicContact CD1-CG 3.93Å; I261-R449 HydrophobicContact CD1-CG 4.25Å; I261-R449 HydrophobicContact CG1-CG 4.06Å; I261-Y452 HydrophobicContact CD1-CE2 4.28Å
262	S	94.8	Very high	81.2	Confident	81 Å²	81	56.1 Å²	56.1	57%	0.566	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-3.8	171.7	68.9	0	0	0	0	115.2	D258 A259 L260	D258-S262 PolarHBondContact O-N 2.98Å; A259-S262 PolarHBondContact O-N 3.4Å; A259-S262 PolarHBondContact O-OG 3.3Å; L260-S262 VanDerWaalsContact C-N 3.25Å; L260-S262 PolarHBondContact O-N 2.97Å
263	F	94.8	Very high	78.7	Confident	56 Å²	56	60.4 Å²	60.4	25%	0.246	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	16.7	172.7	-58.6	-78.3	0	0	0	113.5	I187 V189 D193 L194 A197 A259 L260 I261	I187-F263 HydrophobicContact CG2-CB 3.65Å; V189-F263 HydrophobicContact CB-CB 4.31Å; V189-F263 HydrophobicContact CB-CD1 4.4Å; V189-F263 HydrophobicContact CB-CG 4.16Å; V189-F263 HydrophobicContact CG2-CB 4.26Å; V189-F263 HydrophobicContact CG2-CD1 3.62Å; V189-F263 HydrophobicContact CG2-CD2 3.7Å; V189-F263 HydrophobicContact CG2-CE1 3.78Å; V189-F263 HydrophobicContact CG2-CE2 3.87Å; V189-F263 HydrophobicContact CG2-CG 3.58Å; V189-F263 HydrophobicContact CG2-CZ 3.9Å; D193-F263 HydrophobicContact CB-CE1 4.11Å; D193-F263 HydrophobicContact CB-CZ 4.09Å; L194-F263 HydrophobicContact CB-CE2 4.38Å; L194-F263 HydrophobicContact CD1-CD2 4.22Å; L194-F263 HydrophobicContact CD1-CE2 4Å; A197-F263 HydrophobicContact CB-CE2 3.9Å; A197-F263 HydrophobicContact CB-CZ 4.09Å; A259-F263 WeakPolarHBondContact O-CD2 3.31Å; A259-F263 VanDerWaalsContact O-CE2 3.31Å; A259-F263 WeakPolarHBondContact O-CE2 3.26Å; L260-F263 PolarHBondContact O-N 3.24Å; I261-F263 PolarHBondContact O-N 2.61Å; I261-F263 VanDerWaalsContact O-N 3.16Å
264	L	91	Very high	76.1	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.089	35%	0.353	C	S	.	.	S	Bend	trans	-66.3	142.5	168.8	-72.5	171.9	0	0	0	110.9	P185 I187 I261 E266 M269 L448 Y452	P185-L264 HydrophobicContact CG-CD2 3.66Å; I187-L264 HydrophobicContact CD1-CD2 3.84Å; I187-L264 HydrophobicContact CD1-CG 4.36Å; I187-L264 HydrophobicContact CG1-CD2 3.82Å; I261-L264 HydrophobicContact CD1-CD1 3.86Å; I261-L264 HydrophobicContact CD1-CG 4.35Å; I261-L264 HydrophobicContact CG2-CD1 3.91Å; I261-L264 WeakPolarHBondContact O-CG 3.46Å; I261-L264 PolarHBondContact O-N 2.9Å; L264-E266 PolarHBondContact O-N 2.88Å; L264-M269 HydrophobicContact CB-SD 4.38Å; L264-M269 HydrophobicContact CD1-CE 3.97Å; L264-M269 HydrophobicContact CD1-SD 4.4Å; L264-L448 HydrophobicContact CD1-CD2 3.96Å; L264-Y452 WeakPolarHBondContact CD2-OH 3.43Å
265	P	85.7	Confident	73.5	Confident	50 Å²	50	70.4 Å²	70.4	33%	0.325	37%	0.37	S	S	.	.			trans	-68.9	124.1	170.5	28.2	-32.7	0	0	0	110.4	P185 D267 K268	P185-P265 HydrophobicContact CB-CG 3.98Å; P185-P265 HydrophobicContact CG-CG 4.47Å; P265-D267 VanDerWaalsContact C-N 3.28Å; P265-D267 PolarHBondContact O-N 3.07Å; P265-K268 HydrophobicContact CG-CB 4.36Å; P265-K268 HydrophobicContact CG-CD 4.27Å; P265-K268 HydrophobicContact CG-CG 4.4Å; P265-K268 PolarHBondContact O-N 3.17Å; P265-K268 VanDerWaalsContact O-N 3.11Å
266	E	73.6	Confident	70.6	Confident	168 Å²	168	78.6 Å²	78.6	79%	0.785	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-53.4	-43.5	-173.2	-59.8	-175.5	166.1	0	0	112.4	L264 K268 M269	L264-E266 PolarHBondContact O-N 2.88Å; E266-K268 PolarHBondContact O-N 2.98Å; E266-M269 PolarHBondContact O-N 3.1Å; E266-M269 VanDerWaalsContact O-N 3.13Å
267	D	63.9	Low	67.4	Low	146 Å²	146	85 Å²	85	78%	0.781	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-53.9	-24	-179.3	-59.2	-47.5	0	0	0	114.6	P265	P265-D267 VanDerWaalsContact C-N 3.28Å; P265-D267 PolarHBondContact O-N 3.07Å
268	K	59	Low	64.2	Low	114 Å²	114	90.9 Å²	90.9	50%	0.496	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-102.4	-2.3	-174.2	-63.4	-169.7	172.1	-172.9	0	114.4	P185 P265 E266 V270 T272	P185-K268 HydrophobicContact CB-CD 3.97Å; P265-K268 HydrophobicContact CG-CB 4.36Å; P265-K268 HydrophobicContact CG-CD 4.27Å; P265-K268 HydrophobicContact CG-CG 4.4Å; P265-K268 PolarHBondContact O-N 3.17Å; P265-K268 VanDerWaalsContact O-N 3.11Å; E266-K268 PolarHBondContact O-N 2.98Å; K268-V270 VanDerWaalsContact C-N 3.29Å; K268-V270 PolarHBondContact O-N 2.77Å; K268-T272 PolarHBondContact O-OG1 3.23Å
269	M	55.8	Low	61.3	Low	97 Å²	97	93.9 Å²	93.9	48%	0.478	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.1	178.2	-60.6	-164.3	73.4	0	0	112.8	L264 E266	L264-M269 HydrophobicContact CB-SD 4.38Å; L264-M269 HydrophobicContact CD1-CE 3.97Å; L264-M269 HydrophobicContact CD1-SD 4.4Å; E266-M269 PolarHBondContact O-N 3.1Å; E266-M269 VanDerWaalsContact O-N 3.13Å
270	V	46.9	Very low	58.3	Low	87 Å²	87	99.4 Å²	99.4	53%	0.527	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-43.8	-174.8	-175.8	0	0	0	0	113.1	K268 S273	K268-V270 VanDerWaalsContact C-N 3.29Å; K268-V270 PolarHBondContact O-N 2.77Å; V270-S273 PolarHBondContact O-N 3.31Å
271	E	45.4	Very low	55.2	Low	127 Å²	127	108.1 Å²	108.1	59%	0.593	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-67.6	-41.5	-174.7	-61.4	-170.5	127.4	0	0	112.4	S273 Q274 Q275	E271-S273 PolarHBondContact O-N 3.08Å; E271-S273 VanDerWaalsContact O-N 3.1Å; E271-Q274 PolarHBondContact O-N 3.5Å; E271-Q275 PolarHBondContact O-N 3.29Å
272	T	46.6	Very low	52.2	Low	55 Å²	55	118.5 Å²	118.5	34%	0.337	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-58.9	-25.9	-178.8	-41.4	0	0	0	0	112.6	F184 K268	F184-T272 HydrophobicContact CE1-CG2 4.26Å; K268-T272 PolarHBondContact O-OG1 3.23Å
273	S	40.1	Very low	49.4	Very low	93 Å²	93	123.1 Å²	123.1	65%	0.65	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-89.5	-7.2	178.6	-58.7	0	0	0	0	114.7	V270 E271	V270-S273 PolarHBondContact O-N 3.31Å; E271-S273 PolarHBondContact O-N 3.08Å; E271-S273 VanDerWaalsContact O-N 3.1Å
274	Q	39	Very low	46.4	Very low	136 Å²	136	128.1 Å²	128.1	64%	0.636	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-20.6	-173.5	-64.4	-171.8	13.5	0	0	114.3	E271 Y276	E271-Q274 PolarHBondContact O-N 3.5Å; Q274-Y276 VanDerWaalsContact C-N 3.27Å; Q274-Y276 PolarHBondContact O-N 2.86Å
275	Q	39.5	Very low	43.5	Very low	156 Å²	156	134.6 Å²	134.6	73%	0.729	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-3.4	-177.5	-69.4	-171.4	-5.1	0	0	115.8	E271	E271-Q275 PolarHBondContact O-N 3.29Å
276	Y	34.4	Very low	40.9	Very low	177 Å²	177	136.5 Å²	136.5	69%	0.694	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	4.4	-179.7	-75.6	-75.6	0	0	0	115.5	Q274	Q274-Y276 VanDerWaalsContact C-N 3.27Å; Q274-Y276 PolarHBondContact O-N 2.86Å
277	N	30.4	Very low	39	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	70%	0.699	S	S	*	*			trans	-102	83.3	173.6	-79	-45.6	0	0	0	111.3	P279	N277-P279 VanDerWaalsContact O-CD 3.24Å; N277-P279 WeakPolarHBondContact O-CD 3.49Å
278	T	27.4	Very low	37.5	Very low	130 Å²	130	137.4 Å²	137.4	80%	0.798	70%	0.697	S	S	*	*			trans	-73.2	115.1	171.7	-51.9	0	0	0	0	110.2	S280	T278-S280 PolarHBondContact O-N 3.02Å
279	P	34	Very low	36.2	Very low	119 Å²	119	139.8 Å²	139.8	77%	0.773	71%	0.71	S	S	*	*			trans	-70.2	126.7	176.7	-15.4	31.7	0	0	0	109.8	N277	N277-P279 VanDerWaalsContact O-CD 3.24Å; N277-P279 WeakPolarHBondContact O-CD 3.49Å
280	S	33.1	Very low	35.1	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	72%	0.719	S	S	*	*			trans	-66.6	140.5	177.3	39.7	0	0	0	0	111.8	T278	T278-S280 PolarHBondContact O-N 3.02Å
281	Q	31.1	Very low	34.5	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.864	73%	0.733	S	S	*	*			trans	-23.5	125	-179.4	-63.2	167.9	-16.6	0	0	116.2
282	R	30.9	Very low	33.9	Very low	244 Å²	244	142.7 Å²	142.7	92%	0.921	74%	0.741	S	S	*	*			trans	-125.8	118.1	144.8	-72.3	-167	176.1	-168.7	-0.9	109.4
283	Q	35.6	Very low	33.4	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	77%	0.766	S	S	*	*			trans	-66.9	135.9	175.5	-67.5	170.9	-48.4	0	0	109.7	N285	Q283-N285 PolarHBondContact O-N 3.18Å
284	I	30.4	Very low	33.2	Very low	160 Å²	160	150 Å²	150	82%	0.821	77%	0.774	S	S	*	*			trans	-83.3	106.3	166.5	-60.1	173.5	0	0	0	107
285	N	31.1	Very low	33	Very low	154 Å²	154	148.1 Å²	148.1	82%	0.824	78%	0.775	S	S	*	*			trans	-118	130.7	159.1	-91.2	-15.9	0	0	0	107.9	Q283	Q283-N285 PolarHBondContact O-N 3.18Å
286	S	31	Very low	32.7	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	77%	0.771	S	S	*	*			trans	-113.1	137.6	-166.3	55.7	0	0	0	0	112.6
287	Q	32.9	Very low	32.7	Very low	165 Å²	165	143 Å²	143	77%	0.771	77%	0.771	S	S	*	*			trans	67.9	139.9	170.4	-52.4	165.5	-15.8	0	0	112.5
288	F	33.4	Very low	33	Very low	168 Å²	168	142.3 Å²	142.3	74%	0.737	77%	0.767	S	S	*	*			cis	-142.9	166.2	37.6	-97.6	-102.4	0	0	0	114.1
289	Q	31.6	Very low	33.5	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.762	77%	0.766	S	S	*	*			trans	-14.2	153.3	142.2	-78.5	161.4	-24.2	0	0	117.5
290	S	33.2	Very low	33.7	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	76%	0.757	S	S	*	*			cis	-172.3	165.2	20.3	36.7	0	0	0	0	115.2
291	I	33.2	Very low	34	Very low	157 Å²	157	143.8 Å²	143.8	81%	0.805	76%	0.756	S	S	*	*			trans	83	130.2	154.4	-68.3	146	0	0	0	118.8
292	P	34.3	Very low	34.6	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	75%	0.746	S	S	*	*			trans	-122.1	151.7	172.6	40.6	-28.7	0	0	0	115.6
293	E	35.4	Very low	35	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	73%	0.734	S	S	*	*			trans	-142.3	134.5	159.8	-69.9	-163.8	151.6	0	0	108
294	S	35.4	Very low	35.2	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	73%	0.725	S	S	*	*				65.9	131.2	93.4	-147.5	0	0	0	0	113.6
295	C	34.2	Very low	35.5	Very low	96 Å²	96	131.6 Å²	131.6	65%	0.649	72%	0.724	S	S	*	*			cis	-160.3	149.5	6	-168.8	0	0	0	0	108
296	C	33.9	Very low	35.8	Very low	97 Å²	97	129.1 Å²	129.1	66%	0.655	72%	0.715	S	S	*	*			trans	68.9	153	133.7	-50	0	0	0	0	118.7
297	D	35	Very low	36.2	Very low	130 Å²	130	131.3 Å²	131.3	70%	0.695	72%	0.724	S	S	*	*			cis	-153.9	157.5	14.5	-116.1	-22.3	0	0	0	113.9
298	L	35.4	Very low	36.8	Very low	119 Å²	119	129.3 Å²	129.3	62%	0.623	73%	0.726	S	S	*	*			trans	50.1	116.6	144.3	-53.8	173.8	0	0	0	121.2
299	Q	38	Very low	36.9	Very low	168 Å²	168	124.1 Å²	124.1	79%	0.785	72%	0.72	S	S	*	*				94	153.5	99.3	-81.2	176.4	-20.1	0	0	114.5
300	S	39.3	Very low	37.2	Very low	85 Å²	85	122.1 Å²	122.1	59%	0.594	72%	0.724	S	S	*	*			cis	-162.9	152.7	3.8	32.4	0	0	0	0	112.1
301	D	39.5	Very low	37.5	Very low	144 Å²	144	121.9 Å²	121.9	77%	0.77	72%	0.722	S	S	*	*			trans	64.3	151.8	146.2	-49.8	-12.2	0	0	0	119.5
302	D	42.2	Very low	37.7	Very low	124 Å²	124	123.8 Å²	123.8	66%	0.663	73%	0.727	S	S	*	*			cis	-159.5	167.3	2.9	-143.7	-10.3	0	0	0	114.9
303	N	40.1	Very low	37.8	Very low	126 Å²	126	121.1 Å²	121.1	67%	0.674	72%	0.722	S	S	*	*			trans	65.8	143.5	150.4	-70.6	-45	0	0	0	120.6
304	V	39.7	Very low	37.8	Very low	105 Å²	105	121.4 Å²	121.4	64%	0.636	73%	0.725	S	S	*	*			cis	-164	141.9	-5.1	106	0	0	0	0	112
305	L	37.9	Very low	37.9	Very low	155 Å²	155	121.1 Å²	121.1	81%	0.812	72%	0.723	S	S	*	*			trans	41.7	160.4	150.5	-54.5	167.2	0	0	0	121.6
306	T	35.9	Very low	38.3	Very low	103 Å²	103	121.3 Å²	121.3	63%	0.632	72%	0.724	S	S	*	*			cis	179.3	119.7	-21.4	-84.4	0	0	0	0	104.5
307	V	39.5	Very low	38.4	Very low	135 Å²	135	123.9 Å²	123.9	82%	0.818	73%	0.731	S	S	*	*				77.6	139.6	75.5	161	0	0	0	0	113.9
308	P	45.8	Very low	38.4	Very low	124 Å²	124	123 Å²	123	81%	0.805	74%	0.735	S	S	*	*			trans	-133.2	-161.7	-131.9	46.1	-31.6	0	0	0	116.5
309	G	35.4	Very low	38.3	Very low	59 Å²	59	122.6 Å²	122.6	61%	0.608	74%	0.742	S	S	*	*			trans	-141	134.5	160	0	0	0	0	0	110.6
310	S	37.5	Very low	38.1	Very low	121 Å²	121	120.7 Å²	120.7	85%	0.846	74%	0.744	S	S	*	*				75.7	130.1	72.3	72.5	0	0	0	0	112.9
311	S	38.9	Very low	37.8	Very low	92 Å²	92	123.3 Å²	123.3	64%	0.643	76%	0.756	S	S	*	*			cis	-168.2	147.4	19	49.8	0	0	0	0	115.1
312	Q	39.1	Very low	37.1	Very low	196 Å²	196	127 Å²	127	92%	0.916	76%	0.76	S	S	*	*			trans	62	148.4	145.1	-63.1	166.7	11.9	0	0	120.2
313	G	35	Very low	36.7	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	77%	0.766	S	S	*	*			cis	175.5	179.1	-4.7	0	0	0	0	0	113.7
314	M	35.9	Very low	36	Very low	190 Å²	190	129.9 Å²	129.9	94%	0.936	77%	0.766	S	S	*	*			trans	67	123.3	171.9	-60.9	150.2	64	0	0	116.4
315	S	36.8	Very low	35.6	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	78%	0.775	S	S	*	*			cis	75.5	148.7	12.1	-124	0	0	0	0	116.6
316	P	43.3	Very low	35.3	Very low	101 Å²	101	129.6 Å²	129.6	66%	0.656	77%	0.766	S	S	*	*			cis	-146.9	171.4	5.5	44.8	-26.1	0	0	0	119.9
317	N	35.1	Very low	35	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	78%	0.779	S	S	*	*			trans	78.6	144.7	137.9	-74.2	-10.2	0	0	0	127.7
318	S	36.1	Very low	34.5	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	78%	0.776	S	S	*	*			trans	91.6	140.2	155.8	76.9	0	0	0	0	119.3
319	S	33.3	Very low	33.7	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	78%	0.776	S	S	*	*			cis	-162	139.1	-21.6	-93.3	0	0	0	0	110.2
320	P	34	Very low	33.4	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	79%	0.786	S	S	*	*			trans	-94.8	148.1	-178.4	35.8	-34	0	0	0	114.2
321	V	32.3	Very low	33.1	Very low	140 Å²	140	138.9 Å²	138.9	85%	0.848	79%	0.785	S	S	*	*			trans	-117.4	139.7	172	176.9	0	0	0	0	110.5
322	R	26	Very low	32.5	Very low	222 Å²	222	141.4 Å²	141.4	84%	0.838	79%	0.791	S	S	*	*			trans	-127.3	126.6	-179.3	174	-163.9	-70	168.9	-3.9	109.1
323	I	32.5	Very low	32	Very low	157 Å²	157	142.3 Å²	142.3	81%	0.805	79%	0.786	S	S	*	*			trans	-119.9	133.9	166	-61.8	-179	0	0	0	108.9
324	K	24.9	Very low	31.9	Very low	152 Å²	152	148.5 Å²	148.5	66%	0.661	80%	0.797	S	S	*	*			trans	-116.8	149	167.8	-80.5	-173.6	161	-158.2	0	108.5	H326	K324-H326 PolarHBondContact NZ-NE2 2.98Å
325	S	33.1	Very low	31.4	Very low	120 Å²	120	146.5 Å²	146.5	84%	0.839	79%	0.789	S	S	*	*			trans	-137.6	136.3	147.8	49.3	0	0	0	0	109.1
326	H	30.3	Very low	31	Very low	135 Å²	135	147.6 Å²	147.6	63%	0.625	79%	0.786	S	S	*	*			trans	-103.7	162.3	174	-75.8	-113.6	0	0	0	109.2	K324	K324-H326 PolarHBondContact NZ-NE2 2.98Å
327	F	30.4	Very low	30.1	Very low	202 Å²	202	149.6 Å²	149.6	89%	0.886	79%	0.791	S	S	*	*			trans	162.3	94.8	142.9	-81.7	-54.5	0	0	0	106.6
328	S	29.4	Very low	29.9	Very low	109 Å²	109	149 Å²	149	76%	0.762	79%	0.793	S	S	*	*				75.8	128.5	77.9	72.1	0	0	0	0	114
329	S	27.3	Very low	29.5	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	79%	0.789	S	S	*	*			trans	-109.2	147.8	-167.7	41.1	0	0	0	0	114.4
330	T	30.5	Very low	29.3	Very low	135 Å²	135	151.6 Å²	151.6	83%	0.828	79%	0.785	S	S	*	*			trans	-164	159.3	149.5	8.3	0	0	0	0	114.5
331	E	29.8	Very low	28.9	Very low	175 Å²	175	151.6 Å²	151.6	82%	0.818	78%	0.778	S	S	*	*			trans	68	85.3	151.2	-70.5	177.7	-169.1	0	0	123.1
332	L	27.9	Very low	28.7	Very low	146 Å²	146	151.2 Å²	151.2	76%	0.764	77%	0.772	S	S	*	*				24.2	131	114.6	-79.2	168.2	0	0	0	121.9
333	R	27.9	Very low	28.9	Very low	214 Å²	214	147 Å²	147	81%	0.808	76%	0.764	S	S	*	*			trans	72.1	102.7	151.5	-58.7	170.6	-173.3	179.8	3.7	119
334	H	32.4	Very low	28.7	Very low	193 Å²	193	146.8 Å²	146.8	89%	0.894	76%	0.762	S	S	*	*				-166.1	-178.5	107.4	-99.7	-10.2	0	0	0	111.6
335	I	26.9	Very low	28.9	Very low	149 Å²	149	146.2 Å²	146.2	76%	0.764	77%	0.766	S	S	*	*			trans	-125.1	153	-160	-77.2	171.9	0	0	0	111.4
336	D	26.9	Very low	28.7	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	76%	0.762	S	S	*	*			trans	77.6	112.5	162.9	-76.8	-17	0	0	0	122.5
337	N	25.3	Very low	28.6	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	77%	0.77	S	S	*	*			trans	76.4	165.9	130.9	-66.3	-47.9	0	0	0	121.9
338	V	30.1	Very low	28.4	Very low	138 Å²	138	143.4 Å²	143.4	84%	0.836	76%	0.763	S	S	*	*			trans	83.1	100.9	-170.7	-175.3	0	0	0	0	112.9
339	K	28.1	Very low	28.4	Very low	164 Å²	164	145 Å²	145	71%	0.713	77%	0.768	S	S	*	*				99.7	140.6	58.7	-106.6	-177.1	175.6	171.1	0	113.1	E680	K339-E680 IonicContact NZ-OE1 2.83Å
340	V	28.5	Very low	28.4	Very low	114 Å²	114	148.8 Å²	148.8	69%	0.691	77%	0.773	S	S	*	*			trans	84.8	102.8	148.3	168.6	0	0	0	0	120
341	N	26.6	Very low	28.3	Very low	127 Å²	127	147.7 Å²	147.7	68%	0.679	77%	0.771	S	S	*	*				82.7	122.2	129.3	-68	17	0	0	0	124.9
342	N	27.5	Very low	28.2	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	77%	0.774	S	S	*	*				92.6	145.3	119.4	-74.3	4.6	0	0	0	124.8
343	I	30.4	Very low	28.2	Very low	134 Å²	134	151.6 Å²	151.6	69%	0.687	78%	0.782	S	S	*	*			trans	101.1	104.6	139.5	-82.3	157.8	0	0	0	121.6
344	M	29	Very low	28.1	Very low	152 Å²	152	147.6 Å²	147.6	75%	0.749	78%	0.777	S	S	*	*			trans	57.5	117.4	133.5	-55.4	173.5	177.7	0	0	123.6
345	N	28.2	Very low	28	Very low	139 Å²	139	147.9 Å²	147.9	74%	0.743	78%	0.776	S	S	*	*				165.7	115.6	105.6	-86.7	-30.5	0	0	0	109.9
346	L	29	Very low	27.9	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	78%	0.775	S	S	*	*				77.5	105.7	76.5	-93.3	172.1	0	0	0	115.4
347	N	27.6	Very low	27.9	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	78%	0.78	S	S	*	*				-178.5	137.4	120	-88.8	-14.5	0	0	0	112.1
348	S	27.8	Very low	28	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	77%	0.773	S	S	*	*			trans	22.1	137.6	152.6	60.6	0	0	0	0	121
349	T	29.7	Very low	27.8	Very low	142 Å²	142	148.5 Å²	148.5	87%	0.871	78%	0.78	S	S	*	*			cis	-137.6	169	27.5	46.6	0	0	0	0	114.1
350	E	26.1	Very low	27.8	Very low	194 Å²	194	147.9 Å²	147.9	91%	0.907	78%	0.777	S	S	*	*			trans	-100.4	147	-170.1	-54.3	171.5	130.2	0	0	114.4
351	S	28.7	Very low	27.7	Very low	112 Å²	112	150.3 Å²	150.3	78%	0.783	79%	0.785	S	S	*	*			trans	-164.5	125.5	137.3	63	0	0	0	0	112
352	E	26.9	Very low	27.7	Very low	192 Å²	192	151.8 Å²	151.8	90%	0.897	79%	0.791	S	S	*	*			trans	57.2	78.5	162.5	-58.9	-159.3	114.5	0	0	119.6
353	F	28.6	Very low	27.6	Very low	212 Å²	212	151.8 Å²	151.8	93%	0.93	79%	0.791	S	S	*	*			trans	-149.5	95.9	149.5	-125.2	-81.1	0	0	0	110
354	D	26.8	Very low	27.4	Very low	130 Å²	130	152.1 Å²	152.1	70%	0.695	80%	0.795	S	S	*	*			trans	178.5	136.2	134.4	-133.5	-38.4	0	0	0	112.7	T356	D354-T356 PolarHBondContact OD1-N 2.91Å; D354-T356 PolarHBondContact OD1-OG1 2.89Å
355	K	28.7	Very low	27.4	Very low	199 Å²	199	151.8 Å²	151.8	87%	0.865	79%	0.794	S	S	*	*			trans	-149.5	73.1	157.1	-92.5	-168.2	-177.9	166.5	0	109.6	V357	K355-V357 PolarHBondContact O-N 3.27Å
356	T	25	Very low	27.3	Very low	124 Å²	124	150.7 Å²	150.7	76%	0.761	79%	0.793	S	S	*	*			trans	-60.2	125.4	165.7	-67.6	0	0	0	0	110.4	D354	D354-T356 PolarHBondContact OD1-N 2.91Å; D354-T356 PolarHBondContact OD1-OG1 2.89Å
357	V	27.8	Very low	27.2	Very low	133 Å²	133	152.5 Å²	152.5	81%	0.806	80%	0.797	S	S	*	*			trans	-132	138.8	172.2	-179.6	0	0	0	0	109.6	K355	K355-V357 PolarHBondContact O-N 3.27Å
358	E	27.8	Very low	27.3	Very low	134 Å²	134	153.6 Å²	153.6	63%	0.626	80%	0.803	S	S	*	*			trans	-69.6	143.3	-168.7	-60.2	172	103.6	0	0	114.6	K360	E358-K360 HydrophobicContact CB-CG 4.37Å; E358-K360 PolarHBondContact O-N 3.38Å; E358-K360 WeakPolarHBondContact OE1-CE 3.17Å; E358-K360 IonicContact OE1-NZ 2.71Å; E358-K360 PolarHBondContact OE1-NZ 3.33Å; E358-K360 WeakPolarHBondContact OE2-CE 3.12Å; E358-K360 IonicContact OE2-NZ 2.65Å; E358-K360 PolarHBondContact OE2-NZ 3.33Å
359	L	25.7	Very low	27.1	Very low	185 Å²	185	155 Å²	155	97%	0.969	80%	0.798	S	S	*	*			trans	-72.5	87	157.4	-86.7	163.7	0	0	0	110.2
360	K	28.2	Very low	27	Very low	150 Å²	150	154.7 Å²	154.7	65%	0.652	80%	0.8	S	S	*	*			trans	-104.1	105.4	166	-84.6	174.8	-179.2	151.4	0	111.3	E358	E358-K360 HydrophobicContact CB-CG 4.37Å; E358-K360 PolarHBondContact O-N 3.38Å; E358-K360 WeakPolarHBondContact OE1-CE 3.17Å; E358-K360 IonicContact OE1-NZ 2.71Å; E358-K360 PolarHBondContact OE1-NZ 3.33Å; E358-K360 WeakPolarHBondContact OE2-CE 3.12Å; E358-K360 IonicContact OE2-NZ 2.65Å; E358-K360 PolarHBondContact OE2-NZ 3.33Å
361	L	25.1	Very low	27	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	79%	0.792	S	S	*	*			trans	-67.9	124.5	171.1	-177.3	101.1	0	0	0	110.3
362	I	28	Very low	26.9	Very low	158 Å²	158	151.5 Å²	151.5	81%	0.81	79%	0.794	S	S	*	*			trans	-155.7	139.5	161.3	-100.9	146.4	0	0	0	107.9
363	N	25.2	Very low	26.9	Very low	133 Å²	133	151.1 Å²	151.1	71%	0.711	79%	0.792	S	S	*	*			trans	-83.5	151.1	170.9	-59.7	-38.2	0	0	0	109.8
364	D	26.5	Very low	26.8	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	79%	0.788	S	S	*	*				166.2	166.5	118.2	-85.7	-16.8	0	0	0	112.7
365	I	28.5	Very low	26.8	Very low	145 Å²	145	151.5 Å²	151.5	74%	0.744	80%	0.799	S	S	*	*			trans	58.6	86.8	163.1	-59.5	143.5	0	0	0	114.3
366	T	25.8	Very low	26.5	Very low	115 Å²	115	145.6 Å²	145.6	71%	0.706	80%	0.795	S	S	*	*				48.4	133	72	79.8	0	0	0	0	116.5
367	Q	26	Very low	26.8	Very low	185 Å²	185	146.4 Å²	146.4	86%	0.864	80%	0.799	S	S	*	*			trans	73.4	100	174.2	-52.1	-168.1	19	0	0	117.1
368	N	29.8	Very low	26.8	Very low	171 Å²	171	145.6 Å²	145.6	91%	0.914	80%	0.8	S	S	*	*				-154	132.6	123.8	-108.1	-44.3	0	0	0	110.8
369	Q	24.8	Very low	26.9	Very low	133 Å²	133	147.3 Å²	147.3	62%	0.621	80%	0.8	S	S	*	*			trans	-98	131.2	174.1	-71.6	178.4	-14.4	0	0	109.1
370	C	27.6	Very low	27.1	Very low	136 Å²	136	143.6 Å²	143.6	92%	0.919	79%	0.787	S	S	*	*			trans	-137.4	140.1	158.4	-158	0	0	0	0	109.9
371	S	24.7	Very low	27.2	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-102.1	135.3	-159.4	48.9	0	0	0	0	113.5
372	V	28.1	Very low	27.4	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-101.8	125	163	-179.1	0	0	0	0	108.1
373	Q	26.4	Very low	27.5	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-83.9	126	175.3	-72	176.3	-36.3	0	0	110
374	M	25.6	Very low	27.7	Very low	174 Å²	174	143.8 Å²	143.8	86%	0.857	80%	0.796	S	S	*	*			trans	-90	114.3	171.3	-72.9	-69.2	-70.1	0	0	109.7	G376	M374-G376 PolarHBondContact O-N 2.91Å
375	L	27.8	Very low	27.7	Very low	176 Å²	176	142.7 Å²	142.7	92%	0.921	80%	0.798	S	S	*	*			trans	-84.3	105.2	164.3	-84.3	165.5	0	0	0	108.7
376	G	23	Very low	27.8	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	80%	0.801	S	S	*	*			trans	-82.5	133.5	-178.9	0	0	0	0	0	112.9	M374	M374-G376 PolarHBondContact O-N 2.91Å
377	V	30.1	Very low	28	Very low	141 Å²	141	141.5 Å²	141.5	86%	0.855	81%	0.806	S	S	*	*			trans	-124.1	117.2	164.4	-179.3	0	0	0	0	108.1
378	S	27.3	Very low	28.2	Very low	117 Å²	117	141.1 Å²	141.1	82%	0.818	80%	0.804	S	S	*	*			trans	-84.8	124.6	-175.5	45.1	0	0	0	0	112.5
379	R	30.1	Very low	28.2	Very low	170 Å²	170	143.3 Å²	143.3	64%	0.642	80%	0.799	S	S	*	*			trans	-100.5	131.1	162.9	-77.3	-171.9	175.8	-166.4	0.2	110	Y582 T637	R379-Y582 PolarHBondContact NH2-OH 3.44Å; R379-T637 PolarHBondContact NH1-OG1 3.39Å; R379-T637 VanDerWaalsContact NH1-OG1 3.1Å
380	P	30.4	Very low	28.4	Very low	107 Å²	107	146 Å²	146	70%	0.695	81%	0.812	S	S	*	*			trans	-96	175.6	177.1	38.2	-35.7	0	0	0	113.5
381	N	31.6	Very low	28.3	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	81%	0.805	S	S	*	*			trans	73.9	85.2	163.3	-56.6	-16	0	0	0	118
382	I	28.9	Very low	28.6	Very low	163 Å²	163	147.5 Å²	147.5	84%	0.836	81%	0.811	S	S	*	*			trans	-81.3	140.7	151.1	-65.3	171	0	0	0	108.3	E384	I382-E384 HydrophobicContact CG2-CG 4.32Å
383	V	30.2	Very low	28.5	Very low	138 Å²	138	148.8 Å²	148.8	84%	0.836	81%	0.812	S	S	*	*			trans	-112.3	107.3	171.1	179.3	0	0	0	0	108.9
384	E	28.2	Very low	28.6	Very low	160 Å²	160	145.5 Å²	145.5	75%	0.748	81%	0.806	S	S	*	*			trans	-81.9	122.4	176.2	-68.4	-167.3	128	0	0	111.6	I382	I382-E384 HydrophobicContact CG2-CG 4.32Å
385	C	27.8	Very low	28.6	Very low	118 Å²	118	145.9 Å²	145.9	80%	0.797	80%	0.803	S	S	*	*			trans	-100.9	133.1	168.1	-169.7	0	0	0	0	110.6
386	S	29.9	Very low	28.5	Very low	115 Å²	115	143.8 Å²	143.8	80%	0.804	80%	0.8	S	S	*	*			trans	-103.8	89.5	-166.3	-74.4	0	0	0	0	114
387	C	30.7	Very low	28.7	Very low	120 Å²	120	146.2 Å²	146.2	81%	0.811	79%	0.794	S	S	*	*			trans	-128.4	98.2	176.6	-62.1	0	0	0	0	112
388	Q	30.1	Very low	28.4	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	79%	0.79	S	S	*	*			trans	-89.1	132.5	170.1	-64	178.4	-6.5	0	0	110.8
389	R	28.9	Very low	28.3	Very low	218 Å²	218	145.6 Å²	145.6	82%	0.823	78%	0.779	S	S	*	*				172.9	148.8	112	-94.2	165.2	-166.5	-154.9	5	115.6
390	Q	29.6	Very low	28.1	Very low	188 Å²	188	142.4 Å²	142.4	88%	0.879	78%	0.783	S	S	*	*			trans	70.3	128.5	154.3	-75.3	171.8	-30	0	0	119.1
391	S	25.9	Very low	27.9	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	79%	0.789	S	S	*	*			trans	-91.7	133.5	-176.5	50.1	0	0	0	0	111.7
392	N	29.2	Very low	28	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	77%	0.772	S	S	*	*			trans	-122.7	139.1	157.4	-85.8	-43.4	0	0	0	108.9	P394	N392-P394 WeakPolarHBondContact O-CD 3.35Å
393	I	27.1	Very low	27.9	Very low	162 Å²	162	137 Å²	137	83%	0.831	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-82.2	121.8	-174.7	-60.1	166.9	0	0	0	109
394	P	28.8	Very low	27.9	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.3	135.2	171.2	-18.6	32.7	0	0	0	110.6	N392	N392-P394 WeakPolarHBondContact O-CD 3.35Å
395	K	26.2	Very low	27.9	Very low	183 Å²	183	134 Å²	134	80%	0.796	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-66.4	151.7	167.2	-69.6	178.7	179.7	177.4	0	109.5	I397	K395-I397 PolarHBondContact O-N 3.35Å
396	P	25.4	Very low	28	Very low	131 Å²	131	133.4 Å²	133.4	85%	0.851	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-58.5	124	174.1	25	-34.1	0	0	0	110.2	S398	P396-S398 PolarHBondContact O-N 3.23Å
397	I	26.4	Very low	27.9	Very low	127 Å²	127	132.2 Å²	132.2	65%	0.651	71%	0.714	S	S	*	*			trans	-76.7	115.6	178.2	-61.6	174.3	0	0	0	108	K395 F399	K395-I397 PolarHBondContact O-N 3.35Å; I397-F399 HydrophobicContact CB-CE2 4.13Å; I397-F399 HydrophobicContact CG2-CD2 4.32Å; I397-F399 HydrophobicContact CG2-CE2 4.05Å; I397-F399 HydrophobicContact CG2-CZ 4.15Å; I397-F399 WeakPolarHBondContact O-CD2 3.32Å; I397-F399 PolarHBondContact O-N 3.32Å; I397-F399 VanDerWaalsContact O-N 3.13Å
398	S	23	Very low	27.7	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	71%	0.705	S	S	*	*			trans	-72.3	100.3	171	54.6	0	0	0	0	109.5	P396 S400	P396-S398 PolarHBondContact O-N 3.23Å; S398-S400 PolarHBondContact O-N 2.74Å
399	F	26.6	Very low	27.7	Very low	133 Å²	133	129.2 Å²	129.2	58%	0.583	70%	0.704	S	S	*	*			trans	-73.3	112.2	171.6	-72.1	-86.7	0	0	0	109.8	I397 R657	I397-F399 HydrophobicContact CB-CE2 4.13Å; I397-F399 HydrophobicContact CG2-CD2 4.32Å; I397-F399 HydrophobicContact CG2-CE2 4.05Å; I397-F399 HydrophobicContact CG2-CZ 4.15Å; I397-F399 WeakPolarHBondContact O-CD2 3.32Å; I397-F399 PolarHBondContact O-N 3.32Å; I397-F399 VanDerWaalsContact O-N 3.13Å; F399-R657 VanDerWaalsContact CZ-NH2 3.28Å
400	S	24.9	Very low	27.5	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	71%	0.711	S	S	*	*			trans	-58.4	139.5	161.1	-57.6	0	0	0	0	109.1	S398 L402	S398-S400 PolarHBondContact O-N 2.74Å; S400-L402 PolarHBondContact O-N 3.05Å
401	P	27.2	Very low	27.4	Very low	125 Å²	125	124.4 Å²	124.4	81%	0.812	70%	0.702	S	S	*	*			trans	-58.2	123.8	171.6	-21.7	32.7	0	0	0	109.6	S403	P401-S403 PolarHBondContact O-N 2.97Å; P401-S403 VanDerWaalsContact O-N 3.15Å
402	L	33.3	Very low	27.4	Very low	85 Å²	85	126.3 Å²	126.3	45%	0.445	70%	0.702	S	S	.	*			trans	-64.8	114.7	162.8	-77.4	174.5	0	0	0	107.1	S400 F404	S400-L402 PolarHBondContact O-N 3.05Å; L402-F404 PolarHBondContact O-N 2.84Å
403	S	26.9	Very low	27.3	Very low	94 Å²	94	129.7 Å²	129.7	66%	0.657	70%	0.704	S	S	*	*			trans	-66.6	101.7	171.7	44.8	0	0	0	0	109	P401 I405	P401-S403 PolarHBondContact O-N 2.97Å; P401-S403 VanDerWaalsContact O-N 3.15Å; S403-I405 PolarHBondContact O-N 2.84Å
404	F	30.2	Very low	27.1	Very low	108 Å²	108	129.7 Å²	129.7	47%	0.474	71%	0.706	S	S	.	*			trans	-64	87.3	154.3	-84.7	-96.9	0	0	0	107.1	L402 Y406 Y658	L402-F404 PolarHBondContact O-N 2.84Å; F404-Y406 HydrophobicContact CB-CD2 3.9Å; F404-Y406 HydrophobicContact CB-CE2 3.96Å; F404-Y406 AromaticContact CD1-CE2 3.81Å; F404-Y406 HydrophobicContact CD1-CE2 3.81Å; F404-Y406 HydrophobicContact CG-CE2 4.3Å; F404-Y406 PolarHBondContact O-N 2.94Å; F404-Y658 AromaticContact CE2-CE1 3.62Å; F404-Y658 HydrophobicContact CE2-CE1 3.62Å; F404-Y658 AromaticContact CE2-CZ 3.85Å; F404-Y658 HydrophobicContact CZ-CE1 4.21Å
405	I	27.9	Very low	27.1	Very low	128 Å²	128	130.9 Å²	130.9	66%	0.656	71%	0.711	S	S	*	*			trans	-73.6	81.6	175.9	-57.1	-179.4	0	0	0	107.4	S403 P407	S403-I405 PolarHBondContact O-N 2.84Å; I405-P407 VanDerWaalsContact O-CD 3.31Å; I405-P407 WeakPolarHBondContact O-CD 3.25Å
406	Y	29.4	Very low	27.2	Very low	105 Å²	105	131.5 Å²	131.5	41%	0.412	72%	0.716	S	S	.	*			trans	-80.2	111.7	162.1	-80.8	-83.4	0	0	0	108.7	F404 G408 E616	F404-Y406 HydrophobicContact CB-CD2 3.9Å; F404-Y406 HydrophobicContact CB-CE2 3.96Å; F404-Y406 AromaticContact CD1-CE2 3.81Å; F404-Y406 HydrophobicContact CD1-CE2 3.81Å; F404-Y406 HydrophobicContact CG-CE2 4.3Å; F404-Y406 PolarHBondContact O-N 2.94Å; Y406-G408 PolarHBondContact O-N 3.4Å; Y406-E616 WeakPolarHBondContact CE1-OE1 3.43Å
407	P	27.6	Very low	27.2	Very low	91 Å²	91	130.1 Å²	130.1	59%	0.591	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	74.3	170	-0.5	21.8	0	0	0	107.5	I405 F474	I405-P407 VanDerWaalsContact O-CD 3.31Å; I405-P407 WeakPolarHBondContact O-CD 3.25Å; P407-F474 HydrophobicContact CB-CZ 4.26Å; P407-F474 HydrophobicContact CG-CZ 3.9Å; P407-F474 WeakPolarHBondContact O-CE1 3.47Å
408	G	27.4	Very low	27.2	Very low	62 Å²	62	129.6 Å²	129.6	64%	0.639	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.4	-4.4	-167.8	0	0	0	0	0	118.8	Y406	Y406-G408 PolarHBondContact O-N 3.4Å
409	Q	29.5	Very low	27.4	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	72%	0.717	S	S	*	*			trans	-154.8	103.8	173.6	-115.5	167.9	71.6	0	0	112.9
410	Q	24.3	Very low	27.4	Very low	207 Å²	207	136 Å²	136	97%	0.967	73%	0.732	S	S	*	*			trans	-124.1	93.7	157.9	-76.4	-168	-0.5	0	0	108.4
411	S	28.3	Very low	27.5	Very low	99 Å²	99	137.7 Å²	137.7	69%	0.692	74%	0.738	S	S	*	*			trans	-142.2	85.7	174.2	-166.6	0	0	0	0	110.9
412	I	25.1	Very low	27.5	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	74%	0.74	S	S	*	*			trans	36	89.5	145.9	-45.6	173	0	0	0	116.6
413	Y	27.5	Very low	27.2	Very low	232 Å²	232	140.5 Å²	140.5	91%	0.91	75%	0.746	S	S	*	*			trans	-146.6	112.1	137.4	-81	-67.1	0	0	0	109.6
414	N	23.3	Very low	27.3	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	75%	0.754	S	S	*	*			trans	-105.2	117.3	178.1	-90.7	-17	0	0	0	110.5
415	T	29.6	Very low	27.3	Very low	139 Å²	139	144.2 Å²	144.2	85%	0.853	77%	0.768	S	S	*	*			trans	-140	135.6	158.8	45.7	0	0	0	0	109.6
416	H	26.9	Very low	27.3	Very low	195 Å²	195	141.4 Å²	141.4	90%	0.903	76%	0.764	S	S	*	*			trans	-69.9	135.9	-160	-61.5	-95.6	0	0	0	115.5
417	S	25.8	Very low	27.2	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	76%	0.758	S	S	*	*			trans	-150.2	131.3	149.6	-171.3	0	0	0	0	110	Y419	S417-Y419 PolarHBondContact O-N 2.99Å
418	P	26.7	Very low	27.3	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	77%	0.769	S	S	*	*			trans	-97.4	91.6	-163.3	36.2	-35.1	0	0	0	114.3
419	Y	27.5	Very low	27.3	Very low	210 Å²	210	144.7 Å²	144.7	82%	0.824	78%	0.777	S	S	*	*	S	Bend	trans	-135.4	137.3	160.1	-79.4	-74.3	0	0	0	111.8	S417 T421	S417-Y419 PolarHBondContact O-N 2.99Å; Y419-T421 PolarHBondContact O-N 3.16Å; Y419-T421 VanDerWaalsContact O-N 3.09Å
420	N	26.1	Very low	27.3	Very low	169 Å²	169	140 Å²	140	90%	0.904	76%	0.757	S	S	*	*			trans	-50.2	105.8	-163.6	-64.6	-20.4	0	0	0	115	L422	N420-L422 PolarHBondContact O-N 3.32Å
421	T	27.5	Very low	27.7	Very low	139 Å²	139	135.1 Å²	135.1	85%	0.853	73%	0.734	S	S	*	*			trans	-71	114.1	165.6	-0.7	0	0	0	0	110	Y419 N423	Y419-T421 PolarHBondContact O-N 3.16Å; Y419-T421 VanDerWaalsContact O-N 3.09Å; T421-N423 PolarHBondContact O-N 2.88Å
422	L	26.7	Very low	27.8	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	74%	0.743	S	S	*	*			trans	-67.6	122.7	168.2	-84.6	166.2	0	0	0	109.4	N420 V424	N420-L422 PolarHBondContact O-N 3.32Å; L422-V424 PolarHBondContact O-N 3.29Å; L422-V424 VanDerWaalsContact O-N 3.16Å
423	N	26.6	Very low	28.2	Very low	107 Å²	107	133.7 Å²	133.7	57%	0.572	74%	0.737	S	S	*	*			trans	-77.1	101.1	-167.9	-177.3	14.3	0	0	0	112.2	T421 N425 A426	T421-N423 PolarHBondContact O-N 2.88Å; N423-N425 PolarHBondContact O-N 2.91Å; N423-N425 WeakPolarHBondContact OD1-CB 3.47Å; N423-N425 PolarHBondContact OD1-N 2.78Å; N423-N425 PolarHBondContact OD1-ND2 2.75Å; N423-N425 VanDerWaalsContact OD1-ND2 3.09Å; N423-A426 PolarHBondContact O-N 3.04Å
424	V	29.5	Very low	28.6	Very low	136 Å²	136	127.7 Å²	127.7	82%	0.824	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	47.9	173.7	-161.7	0	0	0	0	111.7	L422	L422-V424 PolarHBondContact O-N 3.29Å; L422-V424 VanDerWaalsContact O-N 3.16Å
425	N	29.7	Very low	29.1	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	7	162.7	-66	-75.3	0	0	0	111.6	N423	N423-N425 PolarHBondContact O-N 2.91Å; N423-N425 WeakPolarHBondContact OD1-CB 3.47Å; N423-N425 PolarHBondContact OD1-N 2.78Å; N423-N425 PolarHBondContact OD1-ND2 2.75Å; N423-N425 VanDerWaalsContact OD1-ND2 3.09Å
426	A	28.5	Very low	29.3	Very low	69 Å²	69	125.2 Å²	125.2	57%	0.57	73%	0.731	S	S	*	*			trans	-105.2	68.9	179.5	0	0	0	0	0	111.4	S68 N423	S68-A426 PolarHBondContact OG-O 2.91Å; N423-A426 PolarHBondContact O-N 3.04Å
427	M	27.4	Very low	29.8	Very low	58 Å²	58	120.7 Å²	120.7	29%	0.286	72%	0.719	S	S	.	*	S	Bend	trans	-140	37.4	173.8	-177.5	35.5	175.9	0	0	111	L67 S68 S70	L67-M427 HydrophobicContact CB-CE 4.23Å; L67-M427 HydrophobicContact CB-SD 4.08Å; L67-M427 HydrophobicContact CD2-SD 4.12Å; S68-M427 WeakPolarHBondContact CB-SD 3.29Å; S68-M427 PolarHBondContact N-SD 3.14Å; S68-M427 WeakPolarHBondContact O-CE 3.42Å; S70-M427 WeakPolarHBondContact OG-CE 3.48Å
428	N	29.1	Very low	30.1	Very low	154 Å²	154	123.5 Å²	123.5	82%	0.824	73%	0.726	S	S	*	*	S	Bend	trans	-173.7	92.2	173.7	-97.7	-29.6	0	0	0	109.3
429	S	27.1	Very low	30.3	Very low	115 Å²	115	121.3 Å²	121.3	80%	0.804	72%	0.724	S	S	*	*			trans	179.5	33.8	163.6	-174	0	0	0	0	113.3
430	I	30.6	Very low	30.6	Very low	74 Å²	74	116.6 Å²	116.6	38%	0.379	72%	0.723	S	S	.	*			trans	-147.7	114.8	-169.3	-60.7	-179	0	0	0	107	L65 N66 L67	L65-I430 HydrophobicContact CB-CG2 4.29Å; L65-I430 HydrophobicContact CD1-CG2 4.25Å; L65-I430 HydrophobicContact CD2-CG2 3.22Å; L65-I430 HydrophobicContact CG-CG2 4.1Å; N66-I430 HydrophobicContact CB-CD1 3.98Å; N66-I430 VanDerWaalsContact O-CG2 3.28Å; N66-I430 WeakPolarHBondContact O-CG2 3.39Å; L67-I430 HydrophobicContact CD2-CB 4.33Å
431	Q	32.3	Very low	30.7	Very low	104 Å²	104	114.2 Å²	114.2	49%	0.486	72%	0.719	S	S	.	*			cis	-102.3	170	5.5	-133.1	153	19.7	0	0	112.9	T64 L65	T64-Q431 PolarHBondContact O-NE2 3.41Å; L65-Q431 HydrophobicContact CD1-CB 3.93Å; L65-Q431 HydrophobicContact CD1-CG 4.37Å; L65-Q431 HydrophobicContact CD2-CB 3.75Å; L65-Q431 HydrophobicContact CD2-CG 3.44Å; L65-Q431 VanDerWaalsContact CD2-CG 3.44Å; L65-Q431 HydrophobicContact CG-CB 4.37Å; L65-Q431 HydrophobicContact CG-CG 4.28Å
432	S	29.6	Very low	31.1	Very low	126 Å²	126	115.7 Å²	115.7	88%	0.881	72%	0.716	S	S	*	*			trans	-158.3	94.2	158.3	-80.5	0	0	0	0	111.4
433	S	35	Very low	31.5	Very low	94 Å²	94	112.5 Å²	112.5	66%	0.657	71%	0.707	S	S	*	*			trans	-160.2	103.8	173.9	57	0	0	0	0	111.7
434	A	34.5	Very low	32.1	Very low	106 Å²	106	113.5 Å²	113.5	88%	0.876	71%	0.712	S	S	*	*	S	Bend	trans	44.9	120	169.3	0	0	0	0	0	117.7
435	S	34.9	Very low	33.2	Very low	116 Å²	116	109.7 Å²	109.7	81%	0.811	70%	0.701	S	S	*	*			cis	-158.3	148.7	35.1	53.1	0	0	0	0	114.1
436	T	34.7	Very low	34.7	Very low	133 Å²	133	108.6 Å²	108.6	82%	0.816	69%	0.69	S	S	*	*			trans	-66.8	170.4	171.9	42.4	0	0	0	0	115.1
437	P	36.9	Very low	37.3	Very low	101 Å²	101	108.1 Å²	108.1	66%	0.656	68%	0.682	S	S	*	*			cis	-136.1	-177.5	-3.5	31.1	-8.9	0	0	0	116.7
438	N	32	Very low	40.2	Very low	161 Å²	161	107.6 Å²	107.6	86%	0.861	68%	0.68	S	S	*	*			trans	98.7	116.6	153.1	-59.1	-28.7	0	0	0	119.2
439	G	29.9	Very low	43.1	Very low	69 Å²	69	105.5 Å²	105.5	71%	0.711	66%	0.661	S	S	*	*			trans	129.1	117.4	156.6	0	0	0	0	0	115.5
440	S	33.5	Very low	46.1	Very low	112 Å²	112	104 Å²	104	78%	0.783	64%	0.641	S	S	*	*			trans	47.2	117.6	162.6	54.3	0	0	0	0	119.7	H442	S440-H442 PolarHBondContact O-N 2.87Å
441	S	30	Very low	49.1	Very low	119 Å²	119	100.5 Å²	100.5	83%	0.832	62%	0.623	S	S	*	*			trans	-78.6	107.5	166.4	52.3	0	0	0	0	111.7	S443	S441-S443 PolarHBondContact O-N 2.8Å
442	H	33.9	Very low	52.1	Low	169 Å²	169	95.6 Å²	95.6	78%	0.782	60%	0.601	S	S	*	*			trans	-79.8	111.9	164.1	-105.1	-103.7	0	0	0	110.1	S440	S440-H442 PolarHBondContact O-N 2.87Å
443	S	36.9	Very low	55.1	Low	96 Å²	96	90.3 Å²	90.3	67%	0.671	56%	0.563	S	S	*	*			trans	-104.5	120.6	159.6	56.2	0	0	0	0	107.8	S441 G445	S441-S443 PolarHBondContact O-N 2.8Å; S443-G445 PolarHBondContact O-N 2.95Å
444	D	39.2	Very low	57.8	Low	127 Å²	127	89.4 Å²	89.4	68%	0.679	55%	0.545	S	S	*	.			trans	-74.2	75.3	-174.2	-66	-36.6	0	0	0	112.3	F446	D444-F446 HydrophobicContact CB-CE2 4.49Å; D444-F446 WeakPolarHBondContact O-CD2 3.39Å; D444-F446 PolarHBondContact O-N 2.72Å
445	G	50.9	Low	60.5	Low	57 Å²	57	87.6 Å²	87.6	59%	0.588	52%	0.518	S	S	*	.			trans	-73.9	88	174.7	0	0	0	0	0	111.3	S443 S447	S443-G445 PolarHBondContact O-N 2.95Å; G445-S447 PolarHBondContact O-N 2.89Å
446	F	62.3	Low	63.3	Low	120 Å²	120	86.5 Å²	86.5	53%	0.526	50%	0.5	S	S	.	.			trans	-57.4	124.1	172.7	-68.9	-79.2	0	0	0	111	Y181 D444 L448	Y181-F446 HydrophobicContact CE1-CE1 4.5Å; Y181-F446 HydrophobicContact CE1-CZ 4.47Å; Y181-F446 HydrophobicContact CE2-CB 4.45Å; Y181-F446 AromaticContact CE2-CD1 3.85Å; Y181-F446 HydrophobicContact CE2-CD1 3.85Å; Y181-F446 HydrophobicContact CE2-CE1 4.31Å; Y181-F446 HydrophobicContact CE2-CG 4.1Å; Y181-F446 AromaticContact CZ-CD1 3.84Å; Y181-F446 AromaticContact CZ-CE1 3.82Å; Y181-F446 WeakPolarHBondContact OH-CE1 3.5Å; D444-F446 HydrophobicContact CB-CE2 4.49Å; D444-F446 WeakPolarHBondContact O-CD2 3.39Å; D444-F446 PolarHBondContact O-N 2.72Å; F446-L448 PolarHBondContact O-N 3.22Å
447	S	83.4	Confident	66	Low	60 Å²	60	84.8 Å²	84.8	42%	0.42	48%	0.481	S	S	.	.			trans	-61.4	126.4	176.1	174.9	0	0	0	0	110.8	G445 R449 E450 S451	G445-S447 PolarHBondContact O-N 2.89Å; S447-R449 PolarHBondContact O-N 3.38Å; S447-R449 PolarHBondContact OG-N 3.41Å; S447-E450 PolarHBondContact O-N 3.39Å; S447-S451 PolarHBondContact O-N 3.43Å
448	L	87.3	Confident	68.5	Low	46 Å²	46	87.3 Å²	87.3	24%	0.241	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-26.8	172	172.3	64.9	0	0	0	113	F184 I261 L264 F446 S451 Y452	F184-L448 HydrophobicContact CB-CD1 4.49Å; F184-L448 HydrophobicContact CD1-CD1 3.38Å; F184-L448 HydrophobicContact CE1-CB 4.2Å; F184-L448 HydrophobicContact CE1-CD1 3.77Å; F184-L448 HydrophobicContact CG-CD1 4.12Å; I261-L448 HydrophobicContact CD1-CD2 4.3Å; I261-L448 HydrophobicContact CD1-CG 3.93Å; L264-L448 HydrophobicContact CD1-CD2 3.96Å; F446-L448 PolarHBondContact O-N 3.22Å; L448-S451 PolarHBondContact O-OG 3.43Å; L448-Y452 HydrophobicContact CD1-CE2 3.97Å; L448-Y452 WeakPolarHBondContact O-CD2 3.22Å; L448-Y452 WeakPolarHBondContact O-CE2 3.38Å
449	R	90.3	Very high	71.1	Confident	110 Å²	110	82.1 Å²	82.1	42%	0.415	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-42.2	177.1	-53.8	-162.5	178.1	177.4	-11.4	112	L257 D258 I261 S447 S451	L257-R449 HydrophobicContact CB-CB 4.24Å; L257-R449 HydrophobicContact CD1-CB 4.07Å; D258-R449 IonicContact OD1-CZ 3.54Å; D258-R449 IonicContact OD1-NE 3.53Å; D258-R449 IonicContact OD1-NH1 3.03Å; D258-R449 PolarHBondContact OD1-NH1 3Å; D258-R449 IonicContact OD1-NH2 2.76Å; D258-R449 PolarHBondContact OD1-NH2 3.33Å; D258-R449 IonicContact OD2-NH1 3.38Å; I261-R449 HydrophobicContact CD1-CG 4.25Å; I261-R449 HydrophobicContact CG1-CG 4.06Å; S447-R449 PolarHBondContact O-N 3.38Å; S447-R449 PolarHBondContact OG-N 3.41Å; R449-S451 VanDerWaalsContact C-N 3.32Å
450	E	91.3	Very high	73.8	Confident	84 Å²	84	80.8 Å²	80.8	39%	0.393	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-75	-21.9	-179.5	-62.2	-69	176.1	0	0	112	K253 S447 Y452 V453	K253-E450 VanDerWaalsContact CE-OE1 3.22Å; K253-E450 WeakPolarHBondContact CE-OE1 3.3Å; K253-E450 WeakPolarHBondContact CE-OE2 3.42Å; K253-E450 IonicContact NZ-OE1 3.49Å; K253-E450 PolarHBondContact NZ-OE1 2.95Å; K253-E450 IonicContact NZ-OE2 3.98Å; K253-E450 PolarHBondContact NZ-OE2 3.36Å; S447-E450 PolarHBondContact O-N 3.39Å; E450-Y452 PolarHBondContact O-N 3.09Å; E450-Y452 VanDerWaalsContact O-N 3.12Å; E450-V453 WeakPolarHBondContact O-CB 3.48Å; E450-V453 PolarHBondContact O-N 3.11Å
451	S	92.4	Very high	76.1	Confident	1 Å²	1	77 Å²	77	1%	0.007	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20	179.9	65.2	0	0	0	0	114.5	S179 R180 F184 S447 L448 R449	S179-S451 CarbonylContact C-O 3.54Å; S179-S451 VanDerWaalsContact CA-O 3.28Å; S179-S451 WeakPolarHBondContact CA-O 3.28Å; R180-S451 PolarHBondContact N-O 3.2Å; F184-S451 VanDerWaalsContact CD2-CB 3.45Å; F184-S451 WeakPolarHBondContact CD2-OG 3.42Å; F184-S451 VanDerWaalsContact CE2-CB 3.48Å; S447-S451 PolarHBondContact O-N 3.43Å; L448-S451 PolarHBondContact O-OG 3.43Å; R449-S451 VanDerWaalsContact C-N 3.32Å
452	Y	94.6	Very high	78.3	Confident	1 Å²	1	79 Å²	79	0%	0.004	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-96.5	-4.5	175.9	-56.8	-83.4	0	0	0	113.7	I177 P185 I187 L260 I261 L264 L448 E450 Y454 G473	I177-Y452 HydrophobicContact CG2-CD1 4.33Å; P185-Y452 WeakPolarHBondContact O-CE1 3.37Å; P185-Y452 PolarHBondContact O-OH 2.78Å; I187-Y452 HydrophobicContact CD1-CD1 4.17Å; I187-Y452 HydrophobicContact CD1-CD2 4.34Å; I187-Y452 HydrophobicContact CD1-CE1 3.76Å; I187-Y452 HydrophobicContact CD1-CE2 3.95Å; I187-Y452 HydrophobicContact CD1-CG 4.45Å; I187-Y452 HydrophobicContact CG1-CE1 4.09Å; L260-Y452 HydrophobicContact CD2-CD2 4.18Å; L260-Y452 HydrophobicContact CD2-CG 3.88Å; I261-Y452 HydrophobicContact CD1-CE2 4.28Å; L264-Y452 WeakPolarHBondContact CD2-OH 3.43Å; L448-Y452 HydrophobicContact CD1-CE2 3.97Å; L448-Y452 WeakPolarHBondContact O-CD2 3.22Å; L448-Y452 WeakPolarHBondContact O-CE2 3.38Å; E450-Y452 PolarHBondContact O-N 3.09Å; E450-Y452 VanDerWaalsContact O-N 3.12Å; Y452-Y454 PolarHBondContact O-N 3.06Å; Y452-G473 PolarHBondContact O-N 2.93Å
453	V	94.4	Very high	80.3	Confident	14 Å²	14	77.5 Å²	77.5	9%	0.085	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	108	176.3	179.5	0	0	0	0	108.6	L257 E450 Q456 L470	L257-V453 HydrophobicContact CD1-CG2 4.28Å; L257-V453 HydrophobicContact CD2-CG2 3.79Å; E450-V453 WeakPolarHBondContact O-CB 3.48Å; E450-V453 PolarHBondContact O-N 3.11Å; V453-Q456 HydrophobicContact CG1-CB 4.37Å; V453-L470 HydrophobicContact CG1-CD1 3.68Å; V453-L470 HydrophobicContact CG2-CD1 4.05Å
454	Y	91.1	Very high	82.5	Confident	76 Å²	76	76.4 Å²	76.4	30%	0.298	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-39.8	175.5	176.9	-127.8	0	0	0	111.5	Y452 S471 G473 F474 P475 V481	Y452-Y454 PolarHBondContact O-N 3.06Å; Y454-S471 PolarHBondContact N-O 3.25Å; Y454-G473 WeakPolarHBondContact CB-O 3.5Å; Y454-F474 AromaticContact CD2-CD2 3.86Å; Y454-F474 HydrophobicContact CD2-CD2 3.86Å; Y454-F474 HydrophobicContact CD2-CE2 4.28Å; Y454-F474 AromaticContact CE2-CD2 4Å; Y454-F474 HydrophobicContact CE2-CD2 4Å; Y454-F474 AromaticContact CE2-CE2 3.98Å; Y454-F474 HydrophobicContact CE2-CE2 3.98Å; Y454-P475 HydrophobicContact CD1-CG 4.42Å; Y454-P475 HydrophobicContact CE1-CG 3.81Å; Y454-P475 HydrophobicContact CE2-CG 4.06Å; Y454-V481 HydrophobicContact CD1-CG1 4.05Å; Y454-V481 HydrophobicContact CD1-CG2 4.04Å; Y454-V481 HydrophobicContact CE1-CG2 4.2Å
455	K	91.6	Very high	84.9	Confident	67 Å²	67	70.9 Å²	70.9	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.3	-171.4	161	-176	159.1	-148.4	0	109.7	F457 L469 S471 E483	K455-F457 HydrophobicContact CD-CD2 4.24Å; K455-F457 HydrophobicContact CD-CE2 4.08Å; K455-F457 HydrophobicContact CG-CD2 3.74Å; K455-F457 HydrophobicContact CG-CE2 3.73Å; K455-L469 HydrophobicContact CD-CD2 4.42Å; K455-L469 HydrophobicContact CG-CD2 4.28Å; K455-S471 PolarHBondContact O-N 3.05Å; K455-E483 IonicContact NZ-OE1 3.58Å; K455-E483 PolarHBondContact NZ-OE1 3.3Å; K455-E483 IonicContact NZ-OE2 2.74Å; K455-E483 PolarHBondContact NZ-OE2 3.19Å
456	Q	92.5	Very high	86.9	Confident	94 Å²	94	68.4 Å²	68.4	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.1	174.3	64.4	-177.9	3.1	0	0	109.5	V453 L469 L470	V453-Q456 HydrophobicContact CG1-CB 4.37Å; Q456-L469 CarbonylContact C-O 3.59Å; Q456-L469 WeakPolarHBondContact CA-O 3.38Å; Q456-L470 HydrophobicContact CB-CD1 4.03Å
457	F	91.1	Very high	88.3	Confident	96 Å²	96	64.9 Å²	64.9	42%	0.421	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.6	176.9	-82	-84.4	0	0	0	110	K455 W467 L469	K455-F457 HydrophobicContact CD-CD2 4.24Å; K455-F457 HydrophobicContact CD-CE2 4.08Å; K455-F457 HydrophobicContact CG-CD2 3.74Å; K455-F457 HydrophobicContact CG-CE2 3.73Å; F457-W467 HydrophobicContact CB-CZ3 4.38Å; F457-L469 HydrophobicContact CB-CB 4.31Å; F457-L469 PolarHBondContact N-O 3.01Å; F457-L469 PolarHBondContact O-N 2.98Å
458	R	90.1	Very high	88.8	Confident	154 Å²	154	62.7 Å²	62.7	58%	0.581	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	145	178.3	65.5	-173.6	172.2	162.1	0.4	109.9	F460	R458-F460 HydrophobicContact CB-CE2 3.73Å; R458-F460 HydrophobicContact CB-CZ 4.28Å; R458-F460 HydrophobicContact CG-CE2 4.16Å
459	K	87.3	Confident	89.2	Confident	52 Å²	52	61.2 Å²	61.2	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.6	172.8	-175.6	62.3	178.5	-178.5	0	109.5	D78 D465 C466 W467	D78-K459 PolarHBondContact O-NZ 2.83Å; K459-D465 HydrophobicContact CG-CB 3.93Å; K459-C466 WeakPolarHBondContact O-CA 3.46Å; K459-W467 HydrophobicContact CB-CD2 4.3Å; K459-W467 HydrophobicContact CB-CZ2 4.09Å; K459-W467 PolarHBondContact N-O 3.24Å; K459-W467 PolarHBondContact O-N 3.01Å
460	F	85.1	Confident	89.5	Confident	42 Å²	42	56.3 Å²	56.3	18%	0.184	26%	0.262	C	S	.	.			trans	-125.4	130.2	172	-57.6	-69.6	0	0	0	109	S79 L242 I249 R458 D465	S79-F460 WeakPolarHBondContact CB-O 3.35Å; L242-F460 HydrophobicContact CB-CE1 4.37Å; L242-F460 HydrophobicContact CD1-CE1 4.13Å; I249-F460 HydrophobicContact CD1-CD2 4.2Å; I249-F460 HydrophobicContact CD1-CE1 4.02Å; I249-F460 HydrophobicContact CD1-CE2 3.3Å; I249-F460 HydrophobicContact CD1-CZ 3.23Å; I249-F460 HydrophobicContact CG1-CE1 4.21Å; I249-F460 HydrophobicContact CG1-CE2 4.12Å; I249-F460 HydrophobicContact CG1-CZ 3.54Å; I249-F460 HydrophobicContact CG2-CZ 4.43Å; R458-F460 HydrophobicContact CB-CE2 3.73Å; R458-F460 HydrophobicContact CB-CZ 4.28Å; R458-F460 HydrophobicContact CG-CE2 4.16Å; F460-D465 CarbonylContact C-O 3.56Å
461	S	83.2	Confident	89.7	Confident	32 Å²	32	52.3 Å²	52.3	22%	0.224	24%	0.244	C	C	.	.			trans	-141.1	143.9	164.2	172.4	0	0	0	0	106.2	D463 D464 D465 R489	S461-D463 PolarHBondContact OG-N 2.99Å; S461-D464 WeakPolarHBondContact OG-CB 3.36Å; S461-D464 PolarHBondContact OG-N 3.48Å; S461-D464 VanDerWaalsContact OG-N 3.1Å; S461-D464 PolarHBondContact OG-OD2 2.89Å; S461-D465 PolarHBondContact N-O 2.86Å; S461-D465 VanDerWaalsContact N-O 3.08Å; S461-R489 PolarHBondContact O-NH2 2.8Å
462	Q	74.7	Confident	89.7	Confident	161 Å²	161	52.2 Å²	52.2	75%	0.752	24%	0.243	S	C	*	.	S	Bend	trans	-64	-47.5	177.1	-61	-178.1	8.3	0	0	108.8	R489	Q462-R489 PolarHBondContact O-NH2 2.85Å
463	D	77.5	Confident	89.6	Confident	137 Å²	137	52.3 Å²	52.3	73%	0.733	24%	0.244	S	C	*	.	S	Bend	trans	-100.5	-4.9	-174.8	-59.3	-51.5	0	0	0	115.4	S461 K491	S461-D463 PolarHBondContact OG-N 2.99Å; D463-K491 WeakPolarHBondContact O-CE 3.26Å; D463-K491 PolarHBondContact O-NZ 3.06Å
464	D	83.5	Confident	89.3	Confident	73 Å²	73	53.4 Å²	53.4	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-119.3	-136.8	-179.4	-48.3	-77.4	0	0	0	114.6	S461 R489 K491	S461-D464 WeakPolarHBondContact OG-CB 3.36Å; S461-D464 PolarHBondContact OG-N 3.48Å; S461-D464 VanDerWaalsContact OG-N 3.1Å; S461-D464 PolarHBondContact OG-OD2 2.89Å; D464-R489 PolarHBondContact O-NE 2.9Å; D464-K491 HydrophobicContact CB-CD 4.49Å; D464-K491 IonicContact OD1-NZ 2.67Å; D464-K491 PolarHBondContact OD1-NZ 3.33Å
465	D	88.8	Confident	88.9	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.064	25%	0.247	C	C	.	.			trans	-67.5	128.4	-179.1	-74.6	-19.2	0	0	0	110.5	K459 F460 S461 M490 K491 R492	K459-D465 HydrophobicContact CG-CB 3.93Å; F460-D465 CarbonylContact C-O 3.56Å; S461-D465 PolarHBondContact N-O 2.86Å; S461-D465 VanDerWaalsContact N-O 3.08Å; D465-M490 WeakPolarHBondContact OD1-CA 3.29Å; D465-K491 PolarHBondContact OD1-N 2.8Å; D465-R492 IonicContact OD2-NH1 2.71Å
466	C	91.8	Very high	88.4	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	94.3	175.6	-173.9	0	0	0	0	107.8	K459 D488 R489	K459-C466 WeakPolarHBondContact O-CA 3.46Å; C466-D488 HydrophobicContact CB-CB 4Å; C466-D488 WeakPolarHBondContact O-CB 3.47Å; C466-D488 PolarHBondContact O-N 3.27Å; C466-D488 PolarHBondContact SG-OD2 3.46Å; C466-R489 CarbonylContact C-O 3.6Å; C466-R489 HydrophobicContact CB-CB 4.18Å; C466-R489 PolarHBondContact N-O 3.47Å; C466-R489 PolarHBondContact O-N 2.93Å; C466-R489 VanDerWaalsContact O-O 3.1Å
467	W	93.2	Very high	87.6	Confident	46 Å²	46	56.5 Å²	56.5	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157.9	-177.4	58	-94.2	0	0	0	113.2	F457 K459 L469 K485 F486 M490	F457-W467 HydrophobicContact CB-CZ3 4.38Å; K459-W467 HydrophobicContact CB-CD2 4.3Å; K459-W467 HydrophobicContact CB-CZ2 4.09Å; K459-W467 PolarHBondContact N-O 3.24Å; K459-W467 PolarHBondContact O-N 3.01Å; W467-L469 HydrophobicContact CE3-CB 4.12Å; W467-L469 HydrophobicContact CZ3-CB 3.77Å; W467-L469 HydrophobicContact CZ3-CD1 4.37Å; W467-K485 HydrophobicContact CE3-CG 4.34Å; W467-F486 CarbonylContact C-O 3.53Å; W467-F486 WeakPolarHBondContact CA-O 3.47Å; W467-F486 VanDerWaalsContact CB-O 3.23Å; W467-F486 WeakPolarHBondContact CB-O 3.37Å; W467-M490 HydrophobicContact CB-CE 4.04Å; W467-M490 HydrophobicContact CD2-CE 4.35Å; W467-M490 HydrophobicContact CG-CE 3.85Å
468	S	93.9	Very high	87.1	Confident	13 Å²	13	56.8 Å²	56.8	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.3	173	-174.9	0	0	0	0	109.7	K485 F486	S468-K485 CarbonylContact O-C 3.51Å; S468-K485 WeakPolarHBondContact O-CA 3.19Å; S468-F486 PolarHBondContact N-O 2.87Å; S468-F486 PolarHBondContact O-N 3.03Å
469	L	95.3	Very high	86.8	Confident	15 Å²	15	50 Å²	50	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.4	-179.6	-178.9	153.8	0	0	0	109.8	K455 Q456 F457 W467 S471 F484 K485	K455-L469 HydrophobicContact CD-CD2 4.42Å; K455-L469 HydrophobicContact CG-CD2 4.28Å; Q456-L469 CarbonylContact C-O 3.59Å; Q456-L469 WeakPolarHBondContact CA-O 3.38Å; F457-L469 HydrophobicContact CB-CB 4.31Å; F457-L469 PolarHBondContact N-O 3.01Å; F457-L469 PolarHBondContact O-N 2.98Å; W467-L469 HydrophobicContact CE3-CB 4.12Å; W467-L469 HydrophobicContact CZ3-CB 3.77Å; W467-L469 HydrophobicContact CZ3-CD1 4.37Å; L469-S471 WeakPolarHBondContact CD2-OG 3.45Å; L469-F484 CarbonylContact C-O 3.5Å; L469-F484 VanDerWaalsContact CA-O 3.32Å; L469-F484 WeakPolarHBondContact CA-O 3.41Å; L469-K485 HydrophobicContact CB-CG 4.39Å; L469-K485 HydrophobicContact CD1-CD 4.3Å; L469-K485 HydrophobicContact CD1-CG 4.26Å
470	L	95.5	Very high	86.6	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	113.5	179.4	-174.6	66.2	0	0	0	109.4	K253 V256 V453 Q456 L472 F484	K253-L470 HydrophobicContact CG-CD2 4.22Å; V256-L470 HydrophobicContact CB-CD2 4.02Å; V256-L470 HydrophobicContact CG1-CD2 3.87Å; V453-L470 HydrophobicContact CG1-CD1 3.68Å; V453-L470 HydrophobicContact CG2-CD1 4.05Å; Q456-L470 HydrophobicContact CB-CD1 4.03Å; L470-L472 HydrophobicContact CD2-CD2 4.24Å; L470-L472 HydrophobicContact CG-CD2 4.09Å; L470-F484 PolarHBondContact N-O 3.48Å; L470-F484 PolarHBondContact O-N 2.85Å
471	S	95.3	Very high	86.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.2	-179.7	-36.4	0	0	0	0	110.5	Y454 K455 L469 I482 E483	Y454-S471 PolarHBondContact N-O 3.25Å; K455-S471 PolarHBondContact O-N 3.05Å; L469-S471 WeakPolarHBondContact CD2-OG 3.45Å; S471-I482 WeakPolarHBondContact CA-O 3.43Å; S471-E483 VanDerWaalsContact CB-OE1 3.29Å; S471-E483 WeakPolarHBondContact CB-OE1 3.4Å; S471-E483 PolarHBondContact OG-OE1 2.97Å
472	L	94.4	Very high	87.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.7	-177.5	-53.5	179	0	0	0	111.3	L194 V256 L257 L260 L470 I482 F484	L194-L472 HydrophobicContact CD2-CD1 4.49Å; V256-L472 HydrophobicContact CG1-CD1 3.78Å; V256-L472 HydrophobicContact CG1-CD2 4.35Å; V256-L472 HydrophobicContact CG1-CG 4.5Å; L257-L472 HydrophobicContact CD2-CD2 4.17Å; L260-L472 HydrophobicContact CD2-CD1 4.32Å; L260-L472 HydrophobicContact CD2-CD2 4.31Å; L470-L472 HydrophobicContact CD2-CD2 4.24Å; L470-L472 HydrophobicContact CG-CD2 4.09Å; L472-I482 PolarHBondContact N-O 2.91Å; L472-I482 PolarHBondContact O-N 2.83Å; L472-I482 VanDerWaalsContact O-N 3.1Å; L472-F484 HydrophobicContact CD1-CD2 3.93Å; L472-F484 HydrophobicContact CD1-CE2 3.77Å; L472-F484 HydrophobicContact CG-CD2 4.35Å
473	G	91.9	Very high	88.4	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	87.1	132.8	176.9	0	0	0	0	0	113.2	H178 Y452 Y454	H178-G473 WeakPolarHBondContact O-CA 3.46Å; Y452-G473 PolarHBondContact O-N 2.93Å; Y454-G473 WeakPolarHBondContact CB-O 3.5Å
474	F	87.5	Confident	89.3	Confident	37 Å²	37	34.6 Å²	34.6	16%	0.162	18%	0.177	C	C	.	.			trans	-72.9	138.9	169.3	-168.5	-98.4	0	0	0	110.5	H178 R180 P407 Y454 S476 S479	H178-F474 PolarHBondContact O-N 3.35Å; R180-F474 HydrophobicContact CB-CD2 4.32Å; R180-F474 HydrophobicContact CG-CD2 4.13Å; P407-F474 HydrophobicContact CB-CZ 4.26Å; P407-F474 HydrophobicContact CG-CZ 3.9Å; P407-F474 WeakPolarHBondContact O-CE1 3.47Å; Y454-F474 AromaticContact CD2-CD2 3.86Å; Y454-F474 HydrophobicContact CD2-CD2 3.86Å; Y454-F474 HydrophobicContact CD2-CE2 4.28Å; Y454-F474 AromaticContact CE2-CD2 4Å; Y454-F474 HydrophobicContact CE2-CD2 4Å; Y454-F474 AromaticContact CE2-CE2 3.98Å; Y454-F474 HydrophobicContact CE2-CE2 3.98Å; F474-S476 PolarHBondContact O-N 2.71Å; F474-S479 PolarHBondContact O-OG 2.77Å
475	P	82.7	Confident	89.9	Confident	45 Å²	45	33.3 Å²	33.3	29%	0.292	17%	0.168	S	C	.	.			trans	-63.8	126.4	176.5	-16.3	27.4	0	0	0	112.3	Y454 V481	Y454-P475 HydrophobicContact CD1-CG 4.42Å; Y454-P475 HydrophobicContact CE1-CG 3.81Å; Y454-P475 HydrophobicContact CE2-CG 4.06Å; P475-V481 HydrophobicContact CB-CG2 4.33Å; P475-V481 HydrophobicContact CG-CG2 3.73Å
476	S	80.6	Confident	90.3	Very high	51 Å²	51	32.8 Å²	32.8	36%	0.357	17%	0.165	S	C	.	.			trans	-133.7	175.2	175.2	-65.6	0	0	0	0	110.2	H178 F474 D478 S479	H178-S476 PolarHBondContact CD2-OG 2.97Å; H178-S476 WeakPolarHBondContact NE2-CB 3.22Å; H178-S476 PolarHBondContact NE2-OG 2.96Å; F474-S476 PolarHBondContact O-N 2.71Å; S476-D478 VanDerWaalsContact C-N 3.28Å; S476-D478 VanDerWaalsContact CB-OD1 3.29Å; S476-D478 WeakPolarHBondContact CB-OD1 3.14Å; S476-D478 PolarHBondContact O-N 2.76Å; S476-S479 WeakPolarHBondContact CB-OG 3.41Å; S476-S479 PolarHBondContact N-OG 2.92Å
477	F	76.6	Confident	90.4	Very high	207 Å²	207	33.4 Å²	33.4	91%	0.908	17%	0.168	S	C	*	.	S	Bend	trans	-65.7	-30.4	176.4	-179.7	-97	0	0	0	113.2
478	D	81.3	Confident	90.4	Very high	102 Å²	102	32.2 Å²	32.2	55%	0.545	17%	0.165	S	C	.	.	S	Bend	trans	-101.3	-14.5	-178	60.2	-47.3	0	0	0	114.2	P176 H178 S476	P176-D478 HydrophobicContact CG-CB 4.4Å; P176-D478 WeakPolarHBondContact CG-O 3.34Å; H178-D478 IonicContact CE1-OD1 2.73Å; H178-D478 IonicContact CE1-OD2 2.72Å; H178-D478 PolarHBondContact CE1-OD2 3Å; H178-D478 IonicContact NE2-OD1 2.71Å; H178-D478 PolarHBondContact NE2-OD1 3.22Å; H178-D478 IonicContact NE2-OD2 2.72Å; S476-D478 VanDerWaalsContact C-N 3.28Å; S476-D478 VanDerWaalsContact CB-OD1 3.29Å; S476-D478 WeakPolarHBondContact CB-OD1 3.14Å; S476-D478 PolarHBondContact O-N 2.76Å
479	S	82	Confident	90.3	Very high	12 Å²	12	35.7 Å²	35.7	8%	0.084	18%	0.177	C	C	.	.			trans	-102.1	164.5	-179	81.2	0	0	0	0	113.5	P176 H178 F474 S476	P176-S479 WeakPolarHBondContact O-CB 3.42Å; H178-S479 WeakPolarHBondContact NE2-CB 3.06Å; F474-S479 PolarHBondContact O-OG 2.77Å; S476-S479 WeakPolarHBondContact CB-OG 3.41Å; S476-S479 PolarHBondContact N-OG 2.92Å
480	K	83	Confident	90	Very high	58 Å²	58	36.1 Å²	36.1	25%	0.252	18%	0.178	S	C	.	.			trans	-133.1	142.8	163.6	-66.7	-174.8	178.5	-176.4	0	108.8	Y231 N232	Y231-K480 HydrophobicContact CD2-CD 3.97Å; Y231-K480 HydrophobicContact CE2-CD 3.61Å; Y231-K480 VanDerWaalsContact CE2-NZ 3.28Å; Y231-K480 WeakPolarHBondContact O-CE 3.35Å; Y231-K480 PolarHBondContact O-NZ 2.55Å; N232-K480 WeakPolarHBondContact O-CD 3.24Å; N232-K480 WeakPolarHBondContact O-CG 3Å
481	V	90.4	Very high	89.7	Confident	17 Å²	17	40.8 Å²	40.8	10%	0.103	20%	0.198	C	C	.	.			trans	-67.4	136.6	175.5	-175.1	0	0	0	0	109.4	I234 Y454 P475 E483	I234-V481 PolarHBondContact N-O 2.72Å; Y454-V481 HydrophobicContact CD1-CG1 4.05Å; Y454-V481 HydrophobicContact CD1-CG2 4.04Å; Y454-V481 HydrophobicContact CE1-CG2 4.2Å; P475-V481 HydrophobicContact CB-CG2 4.33Å; P475-V481 HydrophobicContact CG-CG2 3.73Å; V481-E483 HydrophobicContact CG1-CG 4.2Å
482	I	94.9	Very high	89.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.8	173.5	-46.5	173.2	0	0	0	107.9	I175 I177 L191 L194 I234 V236 S471 L472 F484	I175-I482 HydrophobicContact CD1-CD1 3.62Å; I175-I482 HydrophobicContact CD1-CG1 4.11Å; I177-I482 HydrophobicContact CD1-CD1 3.61Å; I177-I482 HydrophobicContact CG1-CD1 4.15Å; L191-I482 HydrophobicContact CD1-CD1 4.42Å; L191-I482 HydrophobicContact CD1-CG2 4.17Å; L194-I482 HydrophobicContact CD2-CD1 3.92Å; I234-I482 HydrophobicContact CB-CG2 4.47Å; I234-I482 HydrophobicContact CG2-CG2 4.25Å; V236-I482 HydrophobicContact CG2-CG2 4.29Å; S471-I482 WeakPolarHBondContact CA-O 3.43Å; L472-I482 PolarHBondContact N-O 2.91Å; L472-I482 PolarHBondContact O-N 2.83Å; L472-I482 VanDerWaalsContact O-N 3.1Å; I482-F484 HydrophobicContact CB-CE2 4.46Å; I482-F484 HydrophobicContact CG2-CD2 3.94Å; I482-F484 HydrophobicContact CG2-CE2 3.59Å; I482-F484 HydrophobicContact CG2-CZ 4.37Å
483	E	95.9	Very high	89.2	Confident	25 Å²	25	49.3 Å²	49.3	12%	0.117	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	103.9	178.4	-57.7	-125.1	137.3	0	0	109.7	I234 V236 K455 S471 V481	I234-E483 PolarHBondContact O-N 2.86Å; V236-E483 PolarHBondContact N-O 3.47Å; K455-E483 IonicContact NZ-OE1 3.58Å; K455-E483 PolarHBondContact NZ-OE1 3.3Å; K455-E483 IonicContact NZ-OE2 2.74Å; K455-E483 PolarHBondContact NZ-OE2 3.19Å; S471-E483 VanDerWaalsContact CB-OE1 3.29Å; S471-E483 WeakPolarHBondContact CB-OE1 3.4Å; S471-E483 PolarHBondContact OG-OE1 2.97Å; V481-E483 HydrophobicContact CG1-CG 4.2Å
484	F	97.2	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.5	170.5	-79.1	-94	0	0	0	110.1	L194 L195 V198 V236 V238 V256 L469 L470 L472 I482 F486	L194-F484 HydrophobicContact CD2-CE2 4.03Å; L194-F484 HydrophobicContact CD2-CZ 4.11Å; L194-F484 HydrophobicContact CG-CZ 4.18Å; L195-F484 HydrophobicContact CD2-CE1 3.74Å; L195-F484 HydrophobicContact CD2-CZ 4.01Å; V198-F484 HydrophobicContact CB-CE1 4.41Å; V198-F484 HydrophobicContact CG1-CE1 4.18Å; V198-F484 HydrophobicContact CG2-CE1 4.08Å; V198-F484 HydrophobicContact CG2-CZ 4.07Å; V236-F484 HydrophobicContact CB-CD1 4.19Å; V236-F484 HydrophobicContact CB-CE1 4.41Å; V236-F484 HydrophobicContact CG1-CD1 4.04Å; V236-F484 HydrophobicContact CG1-CE1 4.06Å; V238-F484 HydrophobicContact CG2-CD1 4.09Å; V256-F484 HydrophobicContact CG1-CD2 4.48Å; L469-F484 CarbonylContact C-O 3.5Å; L469-F484 VanDerWaalsContact CA-O 3.32Å; L469-F484 WeakPolarHBondContact CA-O 3.41Å; L470-F484 PolarHBondContact N-O 3.48Å; L470-F484 PolarHBondContact O-N 2.85Å; L472-F484 HydrophobicContact CD1-CD2 3.93Å; L472-F484 HydrophobicContact CD1-CE2 3.77Å; L472-F484 HydrophobicContact CG-CD2 4.35Å; I482-F484 HydrophobicContact CB-CE2 4.46Å; I482-F484 HydrophobicContact CG2-CD2 3.94Å; I482-F484 HydrophobicContact CG2-CE2 3.59Å; I482-F484 HydrophobicContact CG2-CZ 4.37Å; F484-F486 HydrophobicContact CB-CD2 4.48Å; F484-F486 HydrophobicContact CB-CE2 3.55Å; F484-F486 HydrophobicContact CB-CZ 3.74Å; F484-F486 AromaticContact CD1-CZ 3.93Å; F484-F486 HydrophobicContact CD1-CZ 3.93Å; F484-F486 HydrophobicContact CG-CE2 4.43Å; F484-F486 HydrophobicContact CG-CZ 4.18Å
485	K	96.4	Very high	89.4	Confident	46 Å²	46	50.7 Å²	50.7	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.7	177.4	-154.6	175.1	-170.9	-167.6	0	109.8	V236 L237 V238 W467 S468 L469 V487 M490	V236-K485 PolarHBondContact O-N 3.19Å; L237-K485 WeakPolarHBondContact CA-O 3.33Å; L237-K485 HydrophobicContact CD2-CB 3.81Å; L237-K485 HydrophobicContact CD2-CD 3.97Å; L237-K485 HydrophobicContact CD2-CG 4.37Å; V238-K485 PolarHBondContact N-O 2.95Å; W467-K485 HydrophobicContact CE3-CG 4.34Å; S468-K485 CarbonylContact O-C 3.51Å; S468-K485 WeakPolarHBondContact O-CA 3.19Å; L469-K485 HydrophobicContact CB-CG 4.39Å; L469-K485 HydrophobicContact CD1-CD 4.3Å; L469-K485 HydrophobicContact CD1-CG 4.26Å; K485-V487 HydrophobicContact CG-CG2 4.33Å; K485-M490 HydrophobicContact CD-CE 3.72Å; K485-M490 HydrophobicContact CD-SD 4.48Å; K485-M490 HydrophobicContact CG-CE 4.13Å; K485-M490 PolarHBondContact NZ-SD 3.25Å
486	F	96.2	Very high	90	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.1	179.3	-61.9	-80	0	0	0	109.4	L202 V238 V240 V252 V256 W467 S468 F484	L202-F486 HydrophobicContact CD1-CE1 4.01Å; V238-F486 HydrophobicContact CB-CD1 3.66Å; V238-F486 HydrophobicContact CB-CE1 3.69Å; V238-F486 HydrophobicContact CG1-CD1 4Å; V238-F486 HydrophobicContact CG1-CE1 3.94Å; V238-F486 HydrophobicContact CG2-CD1 4.22Å; V238-F486 HydrophobicContact CG2-CE1 3.76Å; V238-F486 HydrophobicContact CG2-CZ 4.39Å; V238-F486 WeakPolarHBondContact O-CA 3.36Å; V240-F486 HydrophobicContact CG1-CD1 4.45Å; V240-F486 HydrophobicContact CG2-CB 4Å; V252-F486 HydrophobicContact CG1-CB 4.24Å; V252-F486 HydrophobicContact CG1-CD1 3.61Å; V252-F486 HydrophobicContact CG1-CD2 3.38Å; V252-F486 HydrophobicContact CG1-CE1 3.82Å; V252-F486 HydrophobicContact CG1-CE2 3.57Å; V252-F486 HydrophobicContact CG1-CG 3.42Å; V252-F486 VanDerWaalsContact CG1-CG 3.42Å; V252-F486 HydrophobicContact CG1-CZ 3.81Å; V256-F486 HydrophobicContact CG2-CE1 4.28Å; V256-F486 HydrophobicContact CG2-CE2 3.92Å; V256-F486 HydrophobicContact CG2-CZ 3.36Å; W467-F486 CarbonylContact C-O 3.53Å; W467-F486 WeakPolarHBondContact CA-O 3.47Å; W467-F486 VanDerWaalsContact CB-O 3.23Å; W467-F486 WeakPolarHBondContact CB-O 3.37Å; S468-F486 PolarHBondContact N-O 2.87Å; S468-F486 PolarHBondContact O-N 3.03Å; F484-F486 HydrophobicContact CB-CD2 4.48Å; F484-F486 HydrophobicContact CB-CE2 3.55Å; F484-F486 HydrophobicContact CB-CZ 3.74Å; F484-F486 AromaticContact CD1-CZ 3.93Å; F484-F486 HydrophobicContact CD1-CZ 3.93Å; F484-F486 HydrophobicContact CG-CE2 4.43Å; F484-F486 HydrophobicContact CG-CZ 4.18Å
487	V	94.5	Very high	90.7	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.4	-167.7	-171.3	0	0	0	0	111.2	R210 V238 S239 V240 K485 M490	R210-V487 PolarHBondContact NH2-O 2.94Å; V238-V487 PolarHBondContact O-N 3.13Å; S239-V487 WeakPolarHBondContact CA-O 3.28Å; V240-V487 PolarHBondContact N-O 3.49Å; V240-V487 VanDerWaalsContact O-O 3.05Å; K485-V487 HydrophobicContact CG-CG2 4.33Å; V487-M490 HydrophobicContact CB-CE 4.24Å; V487-M490 HydrophobicContact CG1-CB 3.86Å; V487-M490 HydrophobicContact CG1-CE 3.84Å; V487-M490 HydrophobicContact CG2-CE 3.38Å
488	D	92.8	Very high	91.5	Very high	22 Å²	22	36.5 Å²	36.5	12%	0.118	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-64.2	160.5	167.4	6.5	0	0	0	108.6	R210 L242 S243 C466	R210-D488 PolarHBondContact NH2-O 2.98Å; L242-D488 HydrophobicContact CB-CB 3.91Å; L242-D488 HydrophobicContact CD1-CB 4.31Å; L242-D488 HydrophobicContact CG-CB 4.07Å; S243-D488 PolarHBondContact N-OD2 2.81Å; C466-D488 HydrophobicContact CB-CB 4Å; C466-D488 WeakPolarHBondContact O-CB 3.47Å; C466-D488 PolarHBondContact O-N 3.27Å; C466-D488 PolarHBondContact SG-OD2 3.46Å
489	R	91.3	Very high	92	Very high	86 Å²	86	32.5 Å²	32.5	33%	0.325	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141	175.8	-68.5	-178.4	-57.9	-68.6	7.5	111	S461 Q462 D464 C466	S461-R489 PolarHBondContact O-NH2 2.8Å; Q462-R489 PolarHBondContact O-NH2 2.85Å; D464-R489 PolarHBondContact O-NE 2.9Å; C466-R489 CarbonylContact C-O 3.6Å; C466-R489 HydrophobicContact CB-CB 4.18Å; C466-R489 PolarHBondContact N-O 3.47Å; C466-R489 PolarHBondContact O-N 2.93Å; C466-R489 VanDerWaalsContact O-O 3.1Å
490	M	90	Very high	92.7	Very high	23 Å²	23	32 Å²	32	11%	0.113	14%	0.142	C	C	.	.			trans	-152.9	120.3	173.9	-169.8	-179.1	-50.5	0	0	109.8	D465 W467 K485 V487 R492 Q493	D465-M490 WeakPolarHBondContact OD1-CA 3.29Å; W467-M490 HydrophobicContact CB-CE 4.04Å; W467-M490 HydrophobicContact CD2-CE 4.35Å; W467-M490 HydrophobicContact CG-CE 3.85Å; K485-M490 HydrophobicContact CD-CE 3.72Å; K485-M490 HydrophobicContact CD-SD 4.48Å; K485-M490 HydrophobicContact CG-CE 4.13Å; K485-M490 PolarHBondContact NZ-SD 3.25Å; V487-M490 HydrophobicContact CB-CE 4.24Å; V487-M490 HydrophobicContact CG1-CB 3.86Å; V487-M490 HydrophobicContact CG1-CE 3.84Å; V487-M490 HydrophobicContact CG2-CE 3.38Å; M490-R492 WeakPolarHBondContact CG-O 3.32Å; M490-R492 VanDerWaalsContact SD-O 3.35Å; M490-Q493 WeakPolarHBondContact O-CG 3.24Å; M490-Q493 PolarHBondContact O-NE2 3.43Å
491	K	88.4	Confident	93.3	Very high	105 Å²	105	29.2 Å²	29.2	46%	0.457	13%	0.13	S	C	.	.	S	Bend	trans	-77.9	-46.6	178.8	-62	-177.7	174.8	171	0	110.1	D463 D464 D465 Q493 M556	D463-K491 WeakPolarHBondContact O-CE 3.26Å; D463-K491 PolarHBondContact O-NZ 3.06Å; D464-K491 HydrophobicContact CB-CD 4.49Å; D464-K491 IonicContact OD1-NZ 2.67Å; D464-K491 PolarHBondContact OD1-NZ 3.33Å; D465-K491 PolarHBondContact OD1-N 2.8Å; K491-Q493 PolarHBondContact O-N 3.33Å; K491-M556 HydrophobicContact CB-CE 3.92Å; K491-M556 WeakPolarHBondContact O-CE 3.5Å
492	R	88.7	Confident	93.7	Very high	96 Å²	96	28.9 Å²	28.9	36%	0.362	13%	0.128	S	C	.	.			trans	-88	99.6	179.6	-57.5	177.1	-164.1	97.7	17.2	111.7	D465 M490 M556	D465-R492 IonicContact OD2-NH1 2.71Å; M490-R492 WeakPolarHBondContact CG-O 3.32Å; M490-R492 VanDerWaalsContact SD-O 3.35Å; R492-M556 VanDerWaalsContact CD-O 3.27Å; R492-M556 WeakPolarHBondContact CD-O 3.33Å; R492-M556 HydrophobicContact CG-CB 4.23Å; R492-M556 HydrophobicContact CG-CE 3.94Å; R492-M556 HydrophobicContact CG-SD 3.92Å
493	Q	90.4	Very high	93.8	Very high	83 Å²	83	28.9 Å²	28.9	39%	0.388	13%	0.128	S	C	.	.			trans	-104.9	-15.1	-174.4	-57.2	-170.7	15.3	0	0	114.8	M490 K491 V533	M490-Q493 WeakPolarHBondContact O-CG 3.24Å; M490-Q493 PolarHBondContact O-NE2 3.43Å; K491-Q493 PolarHBondContact O-N 3.33Å; Q493-V533 HydrophobicContact CB-CB 4.2Å; Q493-V533 HydrophobicContact CB-CG2 3.87Å
494	F	92.9	Very high	93.9	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.07	13%	0.131	C	C	.	.			trans	-152.8	172.6	177	68.7	-77.8	0	0	0	109.5	V533 S534 T552 E553	F494-V533 HydrophobicContact CB-CG2 3.92Å; F494-V533 HydrophobicContact CD1-CB 4.4Å; F494-V533 HydrophobicContact CD1-CG2 3.69Å; F494-V533 HydrophobicContact CG-CG2 4.13Å; F494-S534 VanDerWaalsContact CE2-CB 3.48Å; F494-T552 WeakPolarHBondContact CZ-OG1 3.31Å; F494-E553 HydrophobicContact CZ-CG 4.39Å
495	E	92.2	Very high	94	Very high	52 Å²	52	29.1 Å²	29.1	24%	0.243	13%	0.131	C	C	.	.	S	Bend	trans	-117.9	-42.7	170.9	-66.3	171.6	127.6	0	0	111.9	D499 T551 K564	E495-D499 PolarHBondContact N-OD2 3.25Å; E495-T551 WeakPolarHBondContact O-CB 2.98Å; E495-T551 PolarHBondContact O-OG1 2.73Å; E495-K564 HydrophobicContact CB-CD 4.38Å; E495-K564 WeakPolarHBondContact OE2-CD 3.46Å; E495-K564 WeakPolarHBondContact OE2-CE 3.33Å; E495-K564 IonicContact OE2-NZ 3.97Å; E495-K564 PolarHBondContact OE2-NZ 3.27Å
496	F	95.1	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-127.2	159.3	172.6	-54.1	-80.9	0	0	0	111	V498 D499 S500 I549 A550 I557 K564 Y565 L568 M588	F496-V498 HydrophobicContact CB-CG2 4.05Å; F496-V498 PolarHBondContact O-N 3.06Å; F496-V498 VanDerWaalsContact O-N 3.1Å; F496-D499 WeakPolarHBondContact CA-OD1 3.45Å; F496-D499 WeakPolarHBondContact CB-OD1 3.31Å; F496-D499 PolarHBondContact N-OD1 2.92Å; F496-D499 VanDerWaalsContact O-CG 3.29Å; F496-D499 PolarHBondContact O-N 2.87Å; F496-S500 PolarHBondContact O-N 2.99Å; F496-I549 HydrophobicContact CD1-CG2 3.6Å; F496-I549 HydrophobicContact CE1-CG2 3.83Å; F496-I549 HydrophobicContact CG-CG2 4.31Å; F496-A550 CarbonylContact C-O 3.44Å; F496-A550 WeakPolarHBondContact CA-O 3.47Å; F496-A550 WeakPolarHBondContact CB-O 3.09Å; F496-I557 HydrophobicContact CE1-CD1 4.09Å; F496-I557 HydrophobicContact CZ-CD1 4.25Å; F496-K564 HydrophobicContact CD2-CD 4.06Å; F496-K564 HydrophobicContact CD2-CG 4.27Å; F496-K564 HydrophobicContact CE2-CB 4.21Å; F496-K564 HydrophobicContact CE2-CD 4.04Å; F496-K564 HydrophobicContact CE2-CG 4.04Å; F496-Y565 HydrophobicContact CE1-CD2 4.5Å; F496-Y565 HydrophobicContact CZ-CD2 4.48Å; F496-L568 HydrophobicContact CB-CD1 4.5Å; F496-L568 HydrophobicContact CD2-CD1 3.79Å; F496-L568 HydrophobicContact CE2-CD1 4.2Å; F496-L568 HydrophobicContact CG-CD1 4.07Å; F496-M588 HydrophobicContact CE1-SD 4.28Å; F496-M588 HydrophobicContact CZ-SD 3.91Å
497	T	95.3	Very high	94	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.9	179.5	57.3	0	0	0	0	113.6	D499 S500 A540 H543 A550	T497-D499 VanDerWaalsContact C-N 3.33Å; T497-S500 PolarHBondContact O-OG 2.98Å; T497-A540 WeakPolarHBondContact O-CB 3.33Å; T497-H543 PolarHBondContact OG1-ND1 3.39Å; T497-A550 HydrophobicContact CG2-CB 4.15Å; T497-A550 PolarHBondContact N-O 3.09Å; T497-A550 PolarHBondContact OG1-O 2.98Å
498	V	93.8	Very high	94	Very high	4 Å²	4	30 Å²	30	2%	0.024	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.9	177.1	-62	0	0	0	0	113.6	S220 F496 H543 L544 L548 L568 Y573	S220-V498 PolarHBondContact OG-O 2.9Å; F496-V498 HydrophobicContact CB-CG2 4.05Å; F496-V498 PolarHBondContact O-N 3.06Å; F496-V498 VanDerWaalsContact O-N 3.1Å; V498-H543 HydrophobicContact CG1-CB 4.12Å; V498-L544 HydrophobicContact CB-CD1 4.11Å; V498-L544 WeakPolarHBondContact O-CD1 3.44Å; V498-L548 VanDerWaalsContact CG1-O 3.23Å; V498-L548 WeakPolarHBondContact CG1-O 3.46Å; V498-L568 HydrophobicContact CG2-CD1 4.1Å; V498-L568 HydrophobicContact CG2-CD2 4.06Å; V498-Y573 HydrophobicContact CG1-CE1 4.23Å
499	D	91.4	Very high	94.2	Very high	18 Å²	18	29 Å²	29	10%	0.096	13%	0.134	C	C	.	.	S	Bend	trans	-121.1	8.3	177	61.5	-99.3	0	0	0	113.7	E495 F496 T497 F501 K564	E495-D499 PolarHBondContact N-OD2 3.25Å; F496-D499 WeakPolarHBondContact CA-OD1 3.45Å; F496-D499 WeakPolarHBondContact CB-OD1 3.31Å; F496-D499 PolarHBondContact N-OD1 2.92Å; F496-D499 VanDerWaalsContact O-CG 3.29Å; F496-D499 PolarHBondContact O-N 2.87Å; T497-D499 VanDerWaalsContact C-N 3.33Å; D499-F501 PolarHBondContact O-N 3.38Å; D499-K564 VanDerWaalsContact CG-CE 3.49Å; D499-K564 WeakPolarHBondContact OD1-CE 3.36Å; D499-K564 IonicContact OD1-NZ 3.35Å; D499-K564 PolarHBondContact OD1-NZ 2.87Å; D499-K564 IonicContact OD2-NZ 2.91Å; D499-K564 PolarHBondContact OD2-NZ 2.63Å
500	S	95.1	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.			trans	-83.3	13.5	-176.3	68.8	0	0	0	0	115	F496 T497 S532 V533 S534	F496-S500 PolarHBondContact O-N 2.99Å; T497-S500 PolarHBondContact O-OG 2.98Å; S500-S532 WeakPolarHBondContact O-CA 3.3Å; S500-S532 PolarHBondContact OG-OG 3.05Å; S500-V533 WeakPolarHBondContact O-CG2 3.34Å; S500-V533 PolarHBondContact O-N 2.93Å; S500-S534 WeakPolarHBondContact CB-OG 3.48Å; S500-S534 WeakPolarHBondContact OG-CB 3.45Å; S500-S534 PolarHBondContact OG-OG 3.25Å
501	F	96.7	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.3	-174	-64.1	-75	0	0	0	113.5	N215 A219 I223 D499 E531 F537 A540 L544	N215-F501 PolarHBondContact OD1-O 2.91Å; A219-F501 HydrophobicContact CB-CB 4.23Å; A219-F501 VanDerWaalsContact CB-O 3.24Å; A219-F501 WeakPolarHBondContact CB-O 3.47Å; I223-F501 HydrophobicContact CD1-CB 3.65Å; I223-F501 HydrophobicContact CD1-CD1 3.66Å; I223-F501 HydrophobicContact CD1-CE1 4.48Å; I223-F501 HydrophobicContact CD1-CG 3.78Å; I223-F501 HydrophobicContact CG2-CD1 4.12Å; I223-F501 HydrophobicContact CG2-CE1 3.89Å; I223-F501 HydrophobicContact CG2-CZ 4.12Å; D499-F501 PolarHBondContact O-N 3.38Å; F501-E531 WeakPolarHBondContact CA-O 3.46Å; F501-F537 HydrophobicContact CD1-CD2 4.26Å; F501-F537 AromaticContact CD1-CE2 3.65Å; F501-F537 HydrophobicContact CD1-CE2 3.65Å; F501-F537 AromaticContact CD1-CZ 3.91Å; F501-F537 HydrophobicContact CD1-CZ 3.91Å; F501-F537 HydrophobicContact CE1-CD2 4.2Å; F501-F537 HydrophobicContact CE1-CE1 4.16Å; F501-F537 AromaticContact CE1-CE2 3.8Å; F501-F537 HydrophobicContact CE1-CE2 3.8Å; F501-F537 AromaticContact CE1-CZ 3.78Å; F501-F537 HydrophobicContact CE1-CZ 3.78Å; F501-A540 HydrophobicContact CE1-CB 3.9Å; F501-A540 HydrophobicContact CE2-CB 4.31Å; F501-A540 HydrophobicContact CZ-CB 3.59Å; F501-L544 HydrophobicContact CE2-CB 4.25Å; F501-L544 HydrophobicContact CE2-CD1 4.01Å; F501-L544 HydrophobicContact CE2-CD2 3.79Å; F501-L544 HydrophobicContact CE2-CG 4.27Å; F501-L544 HydrophobicContact CZ-CB 4.45Å; F501-L544 HydrophobicContact CZ-CD2 4.11Å
502	Q	97.8	Very high	94.8	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.047	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.5	174.3	-65.6	-179.9	15.2	0	0	110.9	L214 N215 L237 A530 E531 V533	L214-Q502 CarbonylContact O-C 3.54Å; L214-Q502 WeakPolarHBondContact O-CA 3.4Å; N215-Q502 HydrophobicContact CB-CG 4.47Å; N215-Q502 VanDerWaalsContact OD1-CG 3.32Å; N215-Q502 WeakPolarHBondContact OD1-CG 3.26Å; L237-Q502 VanDerWaalsContact CD1-CD 3.46Å; L237-Q502 HydrophobicContact CD1-CG 4.03Å; Q502-A530 CarbonylContact O-C 3.51Å; Q502-A530 VanDerWaalsContact O-CA 3.32Å; Q502-A530 WeakPolarHBondContact O-CA 3.33Å; Q502-E531 PolarHBondContact N-O 3.34Å; Q502-E531 PolarHBondContact O-N 3.34Å; Q502-V533 HydrophobicContact CG-CG1 4.39Å
503	I	98.2	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.7	-178	-53.4	177.6	0	0	0	109.5	L159 L167 R213 L214 A219 I222 I223 L505 I528 A530	L159-I503 HydrophobicContact CD1-CD1 4.36Å; L159-I503 HydrophobicContact CD1-CG2 3.87Å; L167-I503 HydrophobicContact CD2-CG2 3.92Å; R213-I503 CarbonylContact C-O 3.6Å; R213-I503 WeakPolarHBondContact CA-O 3.39Å; L214-I503 HydrophobicContact CB-CB 4.45Å; L214-I503 PolarHBondContact N-O 2.83Å; L214-I503 PolarHBondContact O-N 2.97Å; A219-I503 HydrophobicContact CB-CD1 4.13Å; A219-I503 HydrophobicContact CB-CG1 4.12Å; I222-I503 HydrophobicContact CB-CD1 3.94Å; I222-I503 HydrophobicContact CD1-CD1 4.24Å; I222-I503 HydrophobicContact CG2-CD1 3.65Å; I223-I503 HydrophobicContact CD1-CD1 3.97Å; I223-I503 HydrophobicContact CD1-CG1 3.89Å; I223-I503 HydrophobicContact CG1-CD1 4.18Å; I503-L505 HydrophobicContact CG2-CD2 4.26Å; I503-L505 WeakPolarHBondContact O-CD2 3.07Å; I503-L505 PolarHBondContact O-N 2.81Å; I503-I528 HydrophobicContact CG2-CG2 3.56Å; I503-A530 HydrophobicContact CG1-CB 4.06Å
504	V	97.9	Very high	94.9	Very high	30 Å²	30	23 Å²	23	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	117.6	-179.2	-176.3	0	0	0	0	110.3	R213 V529	R213-V504 HydrophobicContact CG-CG2 4.2Å; V504-V529 PolarHBondContact N-O 2.91Å
505	L	98.1	Very high	94.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.132	C	C	.	.			trans	-91	-19	-171.1	-57.1	-170.2	0	0	0	114.1	L167 L171 L195 I212 L214 I503 P507 L508 L509	L167-L505 HydrophobicContact CD1-CD2 3.88Å; L167-L505 HydrophobicContact CD2-CD2 4.32Å; L171-L505 HydrophobicContact CD1-CD1 4.34Å; L171-L505 HydrophobicContact CD1-CD2 4.24Å; L171-L505 HydrophobicContact CD2-CD1 4.32Å; L195-L505 HydrophobicContact CD1-CD1 3.58Å; I212-L505 HydrophobicContact CG2-CB 4.49Å; I212-L505 HydrophobicContact CG2-CD1 4.18Å; I212-L505 PolarHBondContact O-N 3.29Å; L214-L505 HydrophobicContact CB-CD1 4.14Å; L214-L505 HydrophobicContact CB-CD2 3.98Å; L214-L505 HydrophobicContact CB-CG 4.32Å; I503-L505 HydrophobicContact CG2-CD2 4.26Å; I503-L505 WeakPolarHBondContact O-CD2 3.07Å; I503-L505 PolarHBondContact O-N 2.81Å; L505-P507 VanDerWaalsContact C-CD 3.45Å; L505-L508 WeakPolarHBondContact O-CA 3.43Å; L505-L508 WeakPolarHBondContact O-CB 3.33Å; L505-L508 PolarHBondContact O-N 2.84Å; L505-L509 HydrophobicContact CB-CD1 4.24Å; L505-L509 HydrophobicContact CB-CG 4.29Å; L505-L509 PolarHBondContact O-N 3.37Å
506	D	96.6	Very high	94.2	Very high	33 Å²	33	26.2 Å²	26.2	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-55.2	-38.5	-171.7	-72.4	-64	0	0	0	115.6	R199 N211 I212 L508 L509 T510	R199-D506 IonicContact CZ-OD1 3.22Å; R199-D506 IonicContact NH1-OD1 2.68Å; R199-D506 PolarHBondContact NH1-OD1 2.91Å; N211-D506 WeakPolarHBondContact CA-OD2 3.44Å; N211-D506 WeakPolarHBondContact CB-OD2 3.45Å; I212-D506 PolarHBondContact N-OD2 3.45Å; D506-L508 VanDerWaalsContact C-N 3.3Å; D506-L508 PolarHBondContact O-N 3.15Å; D506-L509 PolarHBondContact O-N 2.91Å; D506-T510 VanDerWaalsContact O-CB 3.27Å; D506-T510 WeakPolarHBondContact O-CB 3.22Å; D506-T510 PolarHBondContact O-N 3.16Å; D506-T510 PolarHBondContact O-OG1 2.9Å
507	P	96.4	Very high	93.3	Very high	49 Å²	49	30.3 Å²	30.3	32%	0.318	20%	0.198	S	C	.	.	H	α-helix	trans	-66.6	-32.6	175.7	-15.9	29	0	0	0	112.4	L505 F511 P526 I528	L505-P507 VanDerWaalsContact C-CD 3.45Å; P507-F511 VanDerWaalsContact O-CB 3.22Å; P507-F511 WeakPolarHBondContact O-CB 3.2Å; P507-F511 PolarHBondContact O-N 2.82Å; P507-P526 HydrophobicContact CB-CB 4.44Å; P507-I528 HydrophobicContact CB-CD1 3.88Å; P507-I528 HydrophobicContact CG-CD1 4.25Å
508	L	95.6	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-75.3	-42.4	177.5	-173.4	51.2	0	0	0	111.7	L167 L171 L505 D506 T510 F511 Y512 I520 P526 I528	L167-L508 HydrophobicContact CD2-CD2 3.57Å; L167-L508 HydrophobicContact CG-CD2 3.69Å; L171-L508 HydrophobicContact CD1-CD2 3.7Å; L171-L508 HydrophobicContact CD1-CG 4.36Å; L505-L508 WeakPolarHBondContact O-CA 3.43Å; L505-L508 WeakPolarHBondContact O-CB 3.33Å; L505-L508 PolarHBondContact O-N 2.84Å; D506-L508 VanDerWaalsContact C-N 3.3Å; D506-L508 PolarHBondContact O-N 3.15Å; L508-T510 VanDerWaalsContact C-N 3.31Å; L508-T510 PolarHBondContact O-N 2.88Å; L508-F511 WeakPolarHBondContact O-CB 3.29Å; L508-F511 PolarHBondContact O-N 2.91Å; L508-Y512 HydrophobicContact CD1-CD1 4.49Å; L508-Y512 HydrophobicContact CD1-CE1 3.78Å; L508-Y512 HydrophobicContact CD1-CE2 4.04Å; L508-Y512 HydrophobicContact CD2-CE2 4.48Å; L508-Y512 HydrophobicContact CG-CD2 4.49Å; L508-Y512 HydrophobicContact CG-CE1 4.37Å; L508-Y512 HydrophobicContact CG-CE2 3.71Å; L508-Y512 WeakPolarHBondContact O-CD2 3.32Å; L508-Y512 PolarHBondContact O-N 2.78Å; L508-I520 HydrophobicContact CD1-CD1 3.73Å; L508-P526 HydrophobicContact CB-CG 4.45Å; L508-P526 HydrophobicContact CD1-CG 3.76Å; L508-I528 HydrophobicContact CB-CD1 3.77Å
509	L	95.4	Very high	92.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-42.3	173.6	-64.1	176.9	0	0	0	111.5	H192 L195 I212 L505 D506 Y512 E513	H192-L509 HydrophobicContact CB-CD2 3.98Å; L195-L509 HydrophobicContact CB-CD1 4.28Å; L195-L509 HydrophobicContact CB-CD2 3.99Å; L195-L509 HydrophobicContact CD1-CD2 4.29Å; I212-L509 HydrophobicContact CB-CD1 4.38Å; I212-L509 HydrophobicContact CD1-CD1 4.07Å; L505-L509 HydrophobicContact CB-CD1 4.24Å; L505-L509 HydrophobicContact CB-CG 4.29Å; L505-L509 PolarHBondContact O-N 3.37Å; D506-L509 PolarHBondContact O-N 2.91Å; L509-Y512 PolarHBondContact O-N 2.72Å; L509-E513 WeakPolarHBondContact O-CG 3.3Å; L509-E513 PolarHBondContact O-N 3.42Å
510	T	94.4	Very high	92.4	Very high	60 Å²	60	40.5 Å²	40.5	37%	0.368	25%	0.253	S	S	.	.	H	α-helix	trans	-72.6	-31.6	178.1	-47.5	0	0	0	0	112.1	D506 L508 E513 S514	D506-T510 VanDerWaalsContact O-CB 3.27Å; D506-T510 WeakPolarHBondContact O-CB 3.22Å; D506-T510 PolarHBondContact O-N 3.16Å; D506-T510 PolarHBondContact O-OG1 2.9Å; L508-T510 VanDerWaalsContact C-N 3.31Å; L508-T510 PolarHBondContact O-N 2.88Å; T510-E513 PolarHBondContact O-N 2.96Å; T510-S514 WeakPolarHBondContact O-CB 3.48Å; T510-S514 PolarHBondContact O-N 3.04Å; T510-S514 PolarHBondContact O-OG 2.82Å
511	F	94.5	Very high	92.4	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-45.3	171.5	176.6	-88.4	0	0	0	111.2	P507 L508 E513 S514 N515 I520 F524 P526	P507-F511 VanDerWaalsContact O-CB 3.22Å; P507-F511 WeakPolarHBondContact O-CB 3.2Å; P507-F511 PolarHBondContact O-N 2.82Å; L508-F511 WeakPolarHBondContact O-CB 3.29Å; L508-F511 PolarHBondContact O-N 2.91Å; F511-E513 PolarHBondContact O-N 3.01Å; F511-S514 PolarHBondContact O-N 3.29Å; F511-N515 HydrophobicContact CZ-CB 4.48Å; F511-N515 VanDerWaalsContact O-CB 3.31Å; F511-N515 WeakPolarHBondContact O-CB 3.43Å; F511-N515 PolarHBondContact O-N 3.09Å; F511-N515 PolarHBondContact O-ND2 3.34Å; F511-I520 HydrophobicContact CD1-CD1 4.45Å; F511-I520 HydrophobicContact CD1-CG1 4.4Å; F511-I520 HydrophobicContact CE1-CD1 4.12Å; F511-I520 HydrophobicContact CE1-CG1 3.61Å; F511-I520 HydrophobicContact CZ-CG1 3.96Å; F511-F524 HydrophobicContact CE2-CD1 4.04Å; F511-F524 AromaticContact CE2-CE1 3.52Å; F511-F524 HydrophobicContact CE2-CE1 3.52Å; F511-F524 HydrophobicContact CE2-CE2 4.44Å; F511-F524 AromaticContact CE2-CZ 3.74Å; F511-F524 HydrophobicContact CE2-CZ 3.74Å; F511-F524 AromaticContact CZ-CD1 3.79Å; F511-F524 HydrophobicContact CZ-CD1 3.79Å; F511-F524 AromaticContact CZ-CE1 3.41Å; F511-F524 HydrophobicContact CZ-CE1 3.41Å; F511-F524 VanDerWaalsContact CZ-CE1 3.41Å; F511-F524 HydrophobicContact CZ-CZ 4.12Å; F511-P526 HydrophobicContact CB-CB 4.01Å; F511-P526 HydrophobicContact CB-CG 3.88Å; F511-P526 HydrophobicContact CD1-CG 4.42Å; F511-P526 HydrophobicContact CD2-CB 4.12Å; F511-P526 HydrophobicContact CD2-CG 4.09Å; F511-P526 HydrophobicContact CG-CB 4.23Å; F511-P526 HydrophobicContact CG-CG 3.89Å
512	Y	93.3	Very high	92.2	Very high	22 Å²	22	46.6 Å²	46.6	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-40.9	175.8	-59.6	-43.2	0	0	0	112.5	H168 S172 H192 L508 L509 S516	H168-Y512 AromaticContact CE1-CE1 3.9Å; H168-Y512 AromaticContact ND1-CE1 3.56Å; H168-Y512 AromaticContact ND1-CZ 3.64Å; H168-Y512 PolarHBondContact ND1-OH 3.1Å; S172-Y512 PolarHBondContact OG-OH 3.34Å; H192-Y512 HydrophobicContact CB-CD2 3.81Å; H192-Y512 HydrophobicContact CB-CE2 3.48Å; H192-Y512 VanDerWaalsContact CB-CE2 3.48Å; H192-Y512 AromaticContact CD2-CD2 3.33Å; H192-Y512 WeakPolarHBondContact CD2-CD2 3.4Å; H192-Y512 AromaticContact CD2-CE2 3.56Å; H192-Y512 AromaticContact CD2-CG 3.88Å; H192-Y512 AromaticContact CG-CD2 3.74Å; H192-Y512 AromaticContact CG-CE2 3.51Å; L508-Y512 HydrophobicContact CD1-CD1 4.49Å; L508-Y512 HydrophobicContact CD1-CE1 3.78Å; L508-Y512 HydrophobicContact CD1-CE2 4.04Å; L508-Y512 HydrophobicContact CD2-CE2 4.48Å; L508-Y512 HydrophobicContact CG-CD2 4.49Å; L508-Y512 HydrophobicContact CG-CE1 4.37Å; L508-Y512 HydrophobicContact CG-CE2 3.71Å; L508-Y512 WeakPolarHBondContact O-CD2 3.32Å; L508-Y512 PolarHBondContact O-N 2.78Å; L509-Y512 PolarHBondContact O-N 2.72Å; Y512-S516 PolarHBondContact O-N 3.29Å; Y512-S516 PolarHBondContact O-OG 2.97Å
513	E	90.4	Very high	92	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-41.9	175.4	-72.9	165	167.6	0	0	112.3	R196 R199 L509 T510 F511	R196-E513 HydrophobicContact CG-CG 4.25Å; R196-E513 VanDerWaalsContact CG-OE1 3.23Å; R196-E513 WeakPolarHBondContact CG-OE1 3.48Å; R199-E513 IonicContact CZ-OE1 3.15Å; R199-E513 IonicContact NH2-OE1 2.71Å; R199-E513 PolarHBondContact NH2-OE1 2.71Å; R199-E513 IonicContact NH2-OE2 2.71Å; R199-E513 PolarHBondContact NH2-OE2 2.71Å; L509-E513 WeakPolarHBondContact O-CG 3.3Å; L509-E513 PolarHBondContact O-N 3.42Å; T510-E513 PolarHBondContact O-N 2.96Å; F511-E513 PolarHBondContact O-N 3.01Å
514	S	91.8	Very high	91.9	Very high	85 Å²	85	58.6 Å²	58.6	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-83.5	-16.4	-175.1	-52.4	0	0	0	0	113.8	T510 F511	T510-S514 WeakPolarHBondContact O-CB 3.48Å; T510-S514 PolarHBondContact O-N 3.04Å; T510-S514 PolarHBondContact O-OG 2.82Å; F511-S514 PolarHBondContact O-N 3.29Å
515	N	89.8	Confident	91.7	Very high	29 Å²	29	61.2 Å²	61.2	16%	0.155	35%	0.354	C	S	.	.	S	Bend	trans	-137	36.4	-171.3	-63.3	-80.2	0	0	0	113.1	F511 G517 K518 F524	F511-N515 HydrophobicContact CZ-CB 4.48Å; F511-N515 VanDerWaalsContact O-CB 3.31Å; F511-N515 WeakPolarHBondContact O-CB 3.43Å; F511-N515 PolarHBondContact O-N 3.09Å; F511-N515 PolarHBondContact O-ND2 3.34Å; N515-G517 PolarHBondContact O-N 3.25Å; N515-G517 VanDerWaalsContact O-N 3.14Å; N515-K518 HydrophobicContact CB-CB 4.21Å; N515-K518 HydrophobicContact CB-CD 4.03Å; N515-K518 HydrophobicContact CB-CG 4.29Å; N515-K518 PolarHBondContact O-N 3.16Å; N515-K518 PolarHBondContact OD1-NZ 2.86Å; N515-F524 WeakPolarHBondContact OD1-CZ 3.38Å
516	S	79.6	Confident	91.7	Very high	106 Å²	106	61.9 Å²	61.9	74%	0.741	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.4	119.7	170.8	-61.7	0	0	0	0	111.8	Y512	Y512-S516 PolarHBondContact O-N 3.29Å; Y512-S516 PolarHBondContact O-OG 2.97Å
517	G	77.2	Confident	91.7	Very high	86 Å²	86	64.8 Å²	64.8	89%	0.887	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-2.3	180	0	0	0	0	0	116.7	N515	N515-G517 PolarHBondContact O-N 3.25Å; N515-G517 VanDerWaalsContact O-N 3.14Å
518	K	85.1	Confident	91.7	Very high	123 Å²	123	62.4 Å²	62.4	54%	0.535	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-92.9	134.7	169.9	-58.6	-174.7	-166	159.9	0	111.1	N515 F524	N515-K518 HydrophobicContact CB-CB 4.21Å; N515-K518 HydrophobicContact CB-CD 4.03Å; N515-K518 HydrophobicContact CB-CG 4.29Å; N515-K518 PolarHBondContact O-N 3.16Å; N515-K518 PolarHBondContact OD1-NZ 2.86Å; K518-F524 HydrophobicContact CB-CE1 4.08Å; K518-F524 HydrophobicContact CD-CE1 3.63Å; K518-F524 HydrophobicContact CD-CZ 3.92Å
519	C	85.8	Confident	91.8	Very high	99 Å²	99	64.8 Å²	64.8	67%	0.669	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-76.5	154.1	170.8	-63.3	0	0	0	0	111.3
520	I	91.3	Very high	92	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.082	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-76	134.3	168.4	-82	172.6	0	0	0	108.9	Y161 H168 L508 F511	Y161-I520 HydrophobicContact CE2-CG2 3.74Å; H168-I520 HydrophobicContact CB-CD1 3.96Å; L508-I520 HydrophobicContact CD1-CD1 3.73Å; F511-I520 HydrophobicContact CD1-CD1 4.45Å; F511-I520 HydrophobicContact CD1-CG1 4.4Å; F511-I520 HydrophobicContact CE1-CD1 4.12Å; F511-I520 HydrophobicContact CE1-CG1 3.61Å; F511-I520 HydrophobicContact CZ-CG1 3.96Å
521	T	94	Very high	92.1	Very high	55 Å²	55	62.7 Å²	62.7	34%	0.337	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-139.2	164.1	-179.6	79.3	0	0	0	0	111.1	Y161 H523 F524 Y525	Y161-T521 VanDerWaalsContact CE2-O 3.28Å; Y161-T521 WeakPolarHBondContact CE2-O 3.45Å; T521-H523 PolarHBondContact O-N 2.81Å; T521-F524 PolarHBondContact N-O 3.47Å; T521-F524 CarbonylContact O-C 3.31Å; T521-F524 VanDerWaalsContact O-C 3.31Å; T521-F524 PolarHBondContact O-N 3.39Å; T521-F524 WeakPolarHBondContact OG1-CB 3.42Å; T521-F524 PolarHBondContact OG1-N 3.1Å; T521-Y525 WeakPolarHBondContact O-CD1 3.39Å
522	P	93.5	Very high	92.2	Very high	73 Å²	73	61.8 Å²	61.8	47%	0.474	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.8	-178.2	-25.2	34.3	0	0	0	115.3	Y161	Y161-P522 HydrophobicContact CD1-CB 4.35Å; Y161-P522 HydrophobicContact CD1-CG 4.13Å; Y161-P522 HydrophobicContact CE1-CB 4.36Å; Y161-P522 HydrophobicContact CE1-CG 3.7Å; Y161-P522 HydrophobicContact CE2-CG 4.36Å; Y161-P522 HydrophobicContact CG-CB 4.47Å
523	H	94	Very high	92.3	Very high	182 Å²	182	61.8 Å²	61.8	84%	0.843	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	1.1	178.6	-52.2	-42.7	0	0	0	112.8	T521	T521-H523 PolarHBondContact O-N 2.81Å
524	F	94.4	Very high	92.5	Very high	79 Å²	79	58.4 Å²	58.4	35%	0.346	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-147.2	84.1	-179.6	-169.5	-108	0	0	0	110.9	F511 N515 K518 T521	F511-F524 HydrophobicContact CE2-CD1 4.04Å; F511-F524 AromaticContact CE2-CE1 3.52Å; F511-F524 HydrophobicContact CE2-CE1 3.52Å; F511-F524 HydrophobicContact CE2-CE2 4.44Å; F511-F524 AromaticContact CE2-CZ 3.74Å; F511-F524 HydrophobicContact CE2-CZ 3.74Å; F511-F524 AromaticContact CZ-CD1 3.79Å; F511-F524 HydrophobicContact CZ-CD1 3.79Å; F511-F524 AromaticContact CZ-CE1 3.41Å; F511-F524 HydrophobicContact CZ-CE1 3.41Å; F511-F524 VanDerWaalsContact CZ-CE1 3.41Å; F511-F524 HydrophobicContact CZ-CZ 4.12Å; N515-F524 WeakPolarHBondContact OD1-CZ 3.38Å; K518-F524 HydrophobicContact CB-CE1 4.08Å; K518-F524 HydrophobicContact CD-CE1 3.63Å; K518-F524 HydrophobicContact CD-CZ 3.92Å; T521-F524 PolarHBondContact N-O 3.47Å; T521-F524 CarbonylContact O-C 3.31Å; T521-F524 VanDerWaalsContact O-C 3.31Å; T521-F524 PolarHBondContact O-N 3.39Å; T521-F524 WeakPolarHBondContact OG1-CB 3.42Å; T521-F524 PolarHBondContact OG1-N 3.1Å
525	Y	95.3	Very high	92.6	Very high	86 Å²	86	55.5 Å²	55.5	34%	0.337	33%	0.329	S	S	.	.			trans	-147.7	153.3	175.9	70.1	-84.7	0	0	0	110.8	Y161 V164 T521	Y161-Y525 AromaticContact CD2-CD1 3.65Å; Y161-Y525 HydrophobicContact CD2-CD1 3.65Å; Y161-Y525 AromaticContact CD2-CE1 3.91Å; Y161-Y525 HydrophobicContact CD2-CE1 3.91Å; Y161-Y525 AromaticContact CD2-CG 3.97Å; Y161-Y525 HydrophobicContact CD2-CG 3.97Å; Y161-Y525 HydrophobicContact CE2-CD1 4.36Å; Y161-Y525 HydrophobicContact CG-CE1 4.42Å; V164-Y525 HydrophobicContact CB-CD2 4.18Å; V164-Y525 HydrophobicContact CG1-CD2 4.03Å; V164-Y525 HydrophobicContact CG2-CD2 4.1Å; V164-Y525 HydrophobicContact CG2-CE2 4.23Å; T521-Y525 WeakPolarHBondContact O-CD1 3.39Å
526	P	96.3	Very high	92.9	Very high	15 Å²	15	55 Å²	55	10%	0.097	33%	0.328	C	S	.	.			trans	-76.6	143.4	178.1	29.8	-33.1	0	0	0	111.9	P507 L508 F511 I528	P507-P526 HydrophobicContact CB-CB 4.44Å; L508-P526 HydrophobicContact CB-CG 4.45Å; L508-P526 HydrophobicContact CD1-CG 3.76Å; F511-P526 HydrophobicContact CB-CB 4.01Å; F511-P526 HydrophobicContact CB-CG 3.88Å; F511-P526 HydrophobicContact CD1-CG 4.42Å; F511-P526 HydrophobicContact CD2-CB 4.12Å; F511-P526 HydrophobicContact CD2-CG 4.09Å; F511-P526 HydrophobicContact CG-CB 4.23Å; F511-P526 HydrophobicContact CG-CG 3.89Å; P526-I528 HydrophobicContact CB-CD1 4.2Å; P526-I528 HydrophobicContact CG-CD1 4.06Å; P526-I528 PolarHBondContact O-N 2.89Å
527	T	97.3	Very high	93.7	Very high	93 Å²	93	50 Å²	50	57%	0.571	29%	0.293	S	S	*	.			trans	-67.7	110.7	172	-50.3	0	0	0	0	110.3	I158	I158-T527 HydrophobicContact CD1-CG2 4.28Å; I158-T527 HydrophobicContact CG1-CG2 4.49Å; I158-T527 HydrophobicContact CG2-CG2 3.77Å
528	I	97.7	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.276	C	S	.	.			trans	-104	136.3	177.8	-54	-53.3	0	0	0	110.4	I158 L159 V164 L167 I503 P507 L508 P526	I158-I528 WeakPolarHBondContact CA-O 3.13Å; L159-I528 HydrophobicContact CB-CB 4.42Å; L159-I528 HydrophobicContact CD1-CB 4.2Å; L159-I528 HydrophobicContact CD1-CG2 3.76Å; L159-I528 HydrophobicContact CG-CB 4.42Å; L159-I528 HydrophobicContact CG-CG2 4.27Å; L159-I528 PolarHBondContact N-O 2.81Å; V164-I528 HydrophobicContact CG1-CG1 4.3Å; V164-I528 HydrophobicContact CG2-CB 4.07Å; V164-I528 HydrophobicContact CG2-CG1 3.91Å; L167-I528 HydrophobicContact CD2-CG1 4.31Å; L167-I528 HydrophobicContact CD2-CG2 3.99Å; I503-I528 HydrophobicContact CG2-CG2 3.56Å; P507-I528 HydrophobicContact CB-CD1 3.88Å; P507-I528 HydrophobicContact CG-CD1 4.25Å; L508-I528 HydrophobicContact CB-CD1 3.77Å; P526-I528 HydrophobicContact CB-CD1 4.2Å; P526-I528 HydrophobicContact CG-CD1 4.06Å; P526-I528 PolarHBondContact O-N 2.89Å
529	V	97.6	Very high	95.1	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.297	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	176	-178.6	0	0	0	0	109.3	F156 Q157 I158 V504	F156-V529 HydrophobicContact CB-CG1 4.04Å; F156-V529 HydrophobicContact CD1-CG1 4.02Å; F156-V529 HydrophobicContact CG-CG1 4.47Å; Q157-V529 WeakPolarHBondContact O-CA 3.39Å; I158-V529 HydrophobicContact CG1-CG2 4.43Å; V504-V529 PolarHBondContact N-O 2.91Å
530	A	97.9	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.7	165.9	0	0	0	0	0	110.5	F156 Q157 L159 I223 Q502 I503 F537	F156-A530 CarbonylContact C-O 3.53Å; F156-A530 VanDerWaalsContact CA-O 3.31Å; F156-A530 WeakPolarHBondContact CA-O 3.23Å; Q157-A530 PolarHBondContact N-O 3.26Å; Q157-A530 PolarHBondContact O-N 3.46Å; L159-A530 HydrophobicContact CD2-CB 3.83Å; L159-A530 HydrophobicContact CG-CB 4.35Å; I223-A530 HydrophobicContact CD1-CB 3.89Å; Q502-A530 CarbonylContact O-C 3.51Å; Q502-A530 VanDerWaalsContact O-CA 3.32Å; Q502-A530 WeakPolarHBondContact O-CA 3.33Å; I503-A530 HydrophobicContact CG1-CB 4.06Å; A530-F537 HydrophobicContact CB-CE2 3.63Å; A530-F537 HydrophobicContact CB-CZ 4.09Å
531	E	97.4	Very high	95.8	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.4	178	-176.5	174	178.7	0	0	109.8	R155 F156 R213 F501 Q502	R155-E531 IonicContact CZ-OE1 2.99Å; R155-E531 IonicContact NH1-OE1 3.26Å; R155-E531 PolarHBondContact NH1-OE1 3.47Å; R155-E531 IonicContact NH2-OE1 3.73Å; R155-E531 PolarHBondContact NH2-OE1 3.01Å; R155-E531 CarbonylContact O-C 3.56Å; R155-E531 VanDerWaalsContact O-CA 3.28Å; R155-E531 WeakPolarHBondContact O-CA 3.32Å; F156-E531 HydrophobicContact CD1-CB 3.83Å; F156-E531 HydrophobicContact CD1-CG 3.92Å; F156-E531 HydrophobicContact CE1-CB 3.83Å; F156-E531 HydrophobicContact CE1-CG 3.58Å; F156-E531 WeakPolarHBondContact CE1-OE2 3.45Å; F156-E531 HydrophobicContact CZ-CG 4.19Å; R213-E531 IonicContact CZ-OE2 3.83Å; R213-E531 IonicContact NH1-OE2 2.72Å; R213-E531 PolarHBondContact NH1-OE2 2.86Å; R213-E531 IonicContact NH2-OE2 2.74Å; R213-E531 PolarHBondContact NH2-OE2 3.48Å; F501-E531 WeakPolarHBondContact CA-O 3.46Å; Q502-E531 PolarHBondContact N-O 3.34Å; Q502-E531 PolarHBondContact O-N 3.34Å
532	S	97.2	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117	163.3	173.6	0	0	0	0	108.5	R155 S500 S534	R155-S532 PolarHBondContact NH1-O 3.02Å; R155-S532 PolarHBondContact O-N 2.8Å; S500-S532 WeakPolarHBondContact O-CA 3.3Å; S500-S532 PolarHBondContact OG-OG 3.05Å; S532-S534 VanDerWaalsContact C-N 3.29Å; S532-S534 PolarHBondContact OG-OG 3.37Å
533	V	95.2	Very high	96	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.7	177.1	-64.9	0	0	0	0	112.8	Q493 F494 S500 Q502 G535	Q493-V533 HydrophobicContact CB-CB 4.2Å; Q493-V533 HydrophobicContact CB-CG2 3.87Å; F494-V533 HydrophobicContact CB-CG2 3.92Å; F494-V533 HydrophobicContact CD1-CB 4.4Å; F494-V533 HydrophobicContact CD1-CG2 3.69Å; F494-V533 HydrophobicContact CG-CG2 4.13Å; S500-V533 WeakPolarHBondContact O-CG2 3.34Å; S500-V533 PolarHBondContact O-N 2.93Å; Q502-V533 HydrophobicContact CG-CG1 4.39Å; V533-G535 PolarHBondContact O-N 3.05Å
534	S	94.3	Very high	96	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.084	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	16.9	171.3	69.8	0	0	0	0	113.5	F494 S500 S532	F494-S534 VanDerWaalsContact CE2-CB 3.48Å; S500-S534 WeakPolarHBondContact CB-OG 3.48Å; S500-S534 WeakPolarHBondContact OG-CB 3.45Å; S500-S534 PolarHBondContact OG-OG 3.25Å; S532-S534 VanDerWaalsContact C-N 3.29Å; S532-S534 PolarHBondContact OG-OG 3.37Å
535	G	93.9	Very high	95.9	Very high	24 Å²	24	35.4 Å²	35.4	25%	0.247	19%	0.189	C	C	.	.	S	Bend	trans	100.5	-114.7	-178.7	0	0	0	0	0	113.1	R155 V533 F537	R155-G535 VanDerWaalsContact CA-O 3.27Å; R155-G535 WeakPolarHBondContact CA-O 3.41Å; R155-G535 VanDerWaalsContact CB-O 3.27Å; R155-G535 WeakPolarHBondContact CB-O 3.48Å; R155-G535 WeakPolarHBondContact CG-O 3.33Å; V533-G535 PolarHBondContact O-N 3.05Å; G535-F537 PolarHBondContact O-N 3.4Å
536	S	95.7	Very high	95.9	Very high	18 Å²	18	35.3 Å²	35.3	13%	0.126	19%	0.194	C	C	.	.			trans	-67.5	123.6	-171.3	174.3	0	0	0	0	112.2	E539 A540	S536-E539 WeakPolarHBondContact CB-OE2 3.43Å; S536-E539 WeakPolarHBondContact OG-CB 3.4Å; S536-E539 PolarHBondContact OG-N 2.92Å; S536-A540 WeakPolarHBondContact O-CB 3.37Å; S536-A540 PolarHBondContact O-N 3.35Å; S536-A540 VanDerWaalsContact O-N 3.1Å
537	F	97	Very high	95.8	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-43.2	177.8	-168.2	-77.2	0	0	0	111.7	N154 Q157 I223 F501 A530 G535 E539 A540 L541	N154-F537 VanDerWaalsContact O-CB 3.24Å; N154-F537 WeakPolarHBondContact O-CB 3.48Å; N154-F537 PolarHBondContact O-N 2.85Å; Q157-F537 HydrophobicContact CB-CB 4.4Å; Q157-F537 HydrophobicContact CB-CD1 3.42Å; Q157-F537 VanDerWaalsContact CB-CD1 3.42Å; Q157-F537 HydrophobicContact CB-CD2 3.82Å; Q157-F537 HydrophobicContact CB-CE1 3.51Å; Q157-F537 HydrophobicContact CB-CE2 3.91Å; Q157-F537 HydrophobicContact CB-CG 3.59Å; Q157-F537 HydrophobicContact CB-CZ 3.76Å; Q157-F537 HydrophobicContact CG-CD1 3.88Å; Q157-F537 HydrophobicContact CG-CE1 3.7Å; Q157-F537 HydrophobicContact CG-CZ 4.21Å; I223-F537 HydrophobicContact CD1-CE2 4.3Å; I223-F537 HydrophobicContact CD1-CZ 4.03Å; I223-F537 HydrophobicContact CG1-CZ 4.36Å; I223-F537 HydrophobicContact CG2-CE1 4.29Å; I223-F537 HydrophobicContact CG2-CZ 3.91Å; F501-F537 HydrophobicContact CD1-CD2 4.26Å; F501-F537 AromaticContact CD1-CE2 3.65Å; F501-F537 HydrophobicContact CD1-CE2 3.65Å; F501-F537 AromaticContact CD1-CZ 3.91Å; F501-F537 HydrophobicContact CD1-CZ 3.91Å; F501-F537 HydrophobicContact CE1-CD2 4.2Å; F501-F537 HydrophobicContact CE1-CE1 4.16Å; F501-F537 AromaticContact CE1-CE2 3.8Å; F501-F537 HydrophobicContact CE1-CE2 3.8Å; F501-F537 AromaticContact CE1-CZ 3.78Å; F501-F537 HydrophobicContact CE1-CZ 3.78Å; A530-F537 HydrophobicContact CB-CE2 3.63Å; A530-F537 HydrophobicContact CB-CZ 4.09Å; G535-F537 PolarHBondContact O-N 3.4Å; F537-E539 VanDerWaalsContact C-N 3.28Å; F537-E539 PolarHBondContact O-N 2.9Å; F537-A540 PolarHBondContact O-N 3.25Å; F537-L541 HydrophobicContact CD1-CB 4.49Å; F537-L541 HydrophobicContact CE1-CB 4.41Å; F537-L541 HydrophobicContact CE1-CD2 4.43Å; F537-L541 WeakPolarHBondContact O-CB 3.27Å; F537-L541 PolarHBondContact O-N 2.98Å
538	S	96.1	Very high	95.8	Very high	75 Å²	75	35.8 Å²	35.8	52%	0.524	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-31.3	-179.7	-49.7	0	0	0	0	112.7	Y542	S538-Y542 WeakPolarHBondContact O-CB 3.19Å; S538-Y542 PolarHBondContact O-N 3.28Å
539	E	95.7	Very high	95.7	Very high	85 Å²	85	35.8 Å²	35.8	40%	0.397	19%	0.188	S	C	.	.	H	α-helix	trans	-74.9	-46.5	176.9	-174.2	-179.7	165.1	0	0	111.3	S536 F537 L541 Y542 H543	S536-E539 WeakPolarHBondContact CB-OE2 3.43Å; S536-E539 WeakPolarHBondContact OG-CB 3.4Å; S536-E539 PolarHBondContact OG-N 2.92Å; F537-E539 VanDerWaalsContact C-N 3.28Å; F537-E539 PolarHBondContact O-N 2.9Å; E539-L541 VanDerWaalsContact C-N 3.28Å; E539-L541 PolarHBondContact O-N 3.34Å; E539-Y542 PolarHBondContact O-N 3.24Å; E539-H543 PolarHBondContact O-N 3.19Å; E539-H543 IonicContact OE1-CE1 3.8Å
540	A	95.9	Very high	95.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-42.4	172.1	0	0	0	0	0	111.5	T497 F501 S536 F537 H543 L544	T497-A540 WeakPolarHBondContact O-CB 3.33Å; F501-A540 HydrophobicContact CE1-CB 3.9Å; F501-A540 HydrophobicContact CE2-CB 4.31Å; F501-A540 HydrophobicContact CZ-CB 3.59Å; S536-A540 WeakPolarHBondContact O-CB 3.37Å; S536-A540 PolarHBondContact O-N 3.35Å; S536-A540 VanDerWaalsContact O-N 3.1Å; F537-A540 PolarHBondContact O-N 3.25Å; A540-H543 PolarHBondContact O-N 3.5Å; A540-L544 WeakPolarHBondContact O-CB 3.27Å; A540-L544 PolarHBondContact O-N 3.46Å
541	L	95.5	Very high	95.5	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-43.1	176.1	177.9	61.9	0	0	0	111.8	I223 F537 E539 H543 L544 E545	I223-L541 HydrophobicContact CG2-CD1 3.91Å; F537-L541 HydrophobicContact CD1-CB 4.49Å; F537-L541 HydrophobicContact CE1-CB 4.41Å; F537-L541 HydrophobicContact CE1-CD2 4.43Å; F537-L541 WeakPolarHBondContact O-CB 3.27Å; F537-L541 PolarHBondContact O-N 2.98Å; E539-L541 VanDerWaalsContact C-N 3.28Å; E539-L541 PolarHBondContact O-N 3.34Å; L541-H543 VanDerWaalsContact C-N 3.31Å; L541-H543 PolarHBondContact O-N 3.37Å; L541-L544 HydrophobicContact CD1-CD2 4.19Å; L541-L544 WeakPolarHBondContact O-CB 3.38Å; L541-L544 PolarHBondContact O-N 3.49Å; L541-L544 VanDerWaalsContact O-N 3.14Å; L541-E545 HydrophobicContact CD1-CG 3.89Å; L541-E545 HydrophobicContact CG-CG 4.38Å; L541-E545 WeakPolarHBondContact O-CG 3.42Å; L541-E545 PolarHBondContact O-N 2.87Å
542	Y	95.5	Very high	95.2	Very high	130 Å²	130	38 Å²	38	51%	0.51	21%	0.205	S	C	.	.	H	α-helix	trans	-59.4	-42	174.6	174.8	-101.5	0	0	0	111.8	S538 E539 N546 L548	S538-Y542 WeakPolarHBondContact O-CB 3.19Å; S538-Y542 PolarHBondContact O-N 3.28Å; E539-Y542 PolarHBondContact O-N 3.24Å; Y542-N546 VanDerWaalsContact CD2-ND2 3.26Å; Y542-N546 WeakPolarHBondContact CD2-ND2 3.21Å; Y542-N546 VanDerWaalsContact CE2-ND2 3.29Å; Y542-N546 WeakPolarHBondContact CE2-ND2 3.49Å; Y542-N546 WeakPolarHBondContact O-CB 3.32Å; Y542-N546 PolarHBondContact O-N 3.43Å; Y542-N546 PolarHBondContact O-ND2 3.29Å; Y542-L548 HydrophobicContact CD1-CD1 4.27Å; Y542-L548 HydrophobicContact CE1-CD1 3.71Å
543	H	95.5	Very high	94.8	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-38.3	174.1	-63.4	161.1	0	0	0	112.6	T497 V498 E539 A540 L541 K547 L548	T497-H543 PolarHBondContact OG1-ND1 3.39Å; V498-H543 HydrophobicContact CG1-CB 4.12Å; E539-H543 PolarHBondContact O-N 3.19Å; E539-H543 IonicContact OE1-CE1 3.8Å; A540-H543 PolarHBondContact O-N 3.5Å; L541-H543 VanDerWaalsContact C-N 3.31Å; L541-H543 PolarHBondContact O-N 3.37Å; H543-K547 PolarHBondContact O-N 3.32Å; H543-K547 VanDerWaalsContact O-N 3.15Å; H543-L548 HydrophobicContact CB-CB 4.11Å; H543-L548 PolarHBondContact O-N 3.48Å
544	L	94.2	Very high	94.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-50.4	176.8	-169.1	75	0	0	0	111.6	I223 Y228 V498 F501 A540 L541	I223-L544 HydrophobicContact CB-CD2 4.4Å; I223-L544 HydrophobicContact CG2-CD2 3.95Å; Y228-L544 HydrophobicContact CD2-CD1 4.3Å; Y228-L544 HydrophobicContact CD2-CG 4.21Å; Y228-L544 HydrophobicContact CE1-CD1 4.17Å; Y228-L544 HydrophobicContact CE2-CD1 3.38Å; Y228-L544 HydrophobicContact CE2-CG 3.65Å; Y228-L544 WeakPolarHBondContact OH-CD1 3.41Å; V498-L544 HydrophobicContact CB-CD1 4.11Å; V498-L544 WeakPolarHBondContact O-CD1 3.44Å; F501-L544 HydrophobicContact CE2-CB 4.25Å; F501-L544 HydrophobicContact CE2-CD1 4.01Å; F501-L544 HydrophobicContact CE2-CD2 3.79Å; F501-L544 HydrophobicContact CE2-CG 4.27Å; F501-L544 HydrophobicContact CZ-CB 4.45Å; F501-L544 HydrophobicContact CZ-CD2 4.11Å; A540-L544 WeakPolarHBondContact O-CB 3.27Å; A540-L544 PolarHBondContact O-N 3.46Å; L541-L544 HydrophobicContact CD1-CD2 4.19Å; L541-L544 WeakPolarHBondContact O-CB 3.38Å; L541-L544 PolarHBondContact O-N 3.49Å; L541-L544 VanDerWaalsContact O-N 3.14Å
545	E	93.4	Very high	94.3	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	25%	0.25	S	S	.	.	H	α-helix	trans	-71.7	-36.3	-176.6	-67	178.4	145.7	0	0	112.4	Q225 L541 K547	Q225-E545 HydrophobicContact CG-CG 4.34Å; Q225-E545 VanDerWaalsContact NE2-CD 3.31Å; Q225-E545 PolarHBondContact NE2-OE1 3.13Å; L541-E545 HydrophobicContact CD1-CG 3.89Å; L541-E545 HydrophobicContact CG-CG 4.38Å; L541-E545 WeakPolarHBondContact O-CG 3.42Å; L541-E545 PolarHBondContact O-N 2.87Å; E545-K547 VanDerWaalsContact C-N 3.35Å
546	N	94.3	Very high	94	Very high	83 Å²	83	48.3 Å²	48.3	44%	0.444	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	8.2	-178.8	-65.7	-91.9	0	0	0	113.7	Y542 L548	Y542-N546 VanDerWaalsContact CD2-ND2 3.26Å; Y542-N546 WeakPolarHBondContact CD2-ND2 3.21Å; Y542-N546 VanDerWaalsContact CE2-ND2 3.29Å; Y542-N546 WeakPolarHBondContact CE2-ND2 3.49Å; Y542-N546 WeakPolarHBondContact O-CB 3.32Å; Y542-N546 PolarHBondContact O-N 3.43Å; Y542-N546 PolarHBondContact O-ND2 3.29Å; N546-L548 HydrophobicContact CB-CD1 3.97Å; N546-L548 HydrophobicContact CB-CG 3.94Å; N546-L548 PolarHBondContact O-N 3.45Å
547	K	94.6	Very high	93.7	Very high	86 Å²	86	47.6 Å²	47.6	37%	0.374	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	50.5	-176.9	-59.5	-171.1	177.7	-175.6	0	113.3	H543 E545 Y573 K574	H543-K547 PolarHBondContact O-N 3.32Å; H543-K547 VanDerWaalsContact O-N 3.15Å; E545-K547 VanDerWaalsContact C-N 3.35Å; K547-Y573 VanDerWaalsContact CA-CD1 3.45Å; K547-Y573 HydrophobicContact CB-CD1 3.76Å; K547-Y573 HydrophobicContact CB-CD2 4.04Å; K547-Y573 HydrophobicContact CB-CE1 3.92Å; K547-Y573 HydrophobicContact CB-CE2 4.2Å; K547-Y573 HydrophobicContact CB-CG 3.79Å; K547-Y573 HydrophobicContact CD-CD2 4.27Å; K547-Y573 HydrophobicContact CD-CE2 3.99Å; K547-Y573 HydrophobicContact CG-CD1 4.43Å; K547-Y573 HydrophobicContact CG-CD2 4.32Å; K547-Y573 HydrophobicContact CG-CE1 4.12Å; K547-Y573 HydrophobicContact CG-CE2 4Å; K547-Y573 HydrophobicContact CG-CG 4.49Å; K547-Y573 CarbonylContact O-C 3.57Å; K547-Y573 WeakPolarHBondContact O-CA 3.45Å; K547-Y573 WeakPolarHBondContact O-CB 3.32Å; K547-K574 PolarHBondContact O-N 3Å
548	L	96.5	Very high	93.5	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.7	-179.3	-57.4	175.3	0	0	0	111.8	V498 Y542 H543 N546 K574 A576	V498-L548 VanDerWaalsContact CG1-O 3.23Å; V498-L548 WeakPolarHBondContact CG1-O 3.46Å; Y542-L548 HydrophobicContact CD1-CD1 4.27Å; Y542-L548 HydrophobicContact CE1-CD1 3.71Å; H543-L548 HydrophobicContact CB-CB 4.11Å; H543-L548 PolarHBondContact O-N 3.48Å; N546-L548 HydrophobicContact CB-CD1 3.97Å; N546-L548 HydrophobicContact CB-CG 3.94Å; N546-L548 PolarHBondContact O-N 3.45Å; L548-K574 CarbonylContact C-O 3.56Å; L548-K574 VanDerWaalsContact CA-O 3.3Å; L548-K574 WeakPolarHBondContact CA-O 3.45Å; L548-A576 HydrophobicContact CB-CB 4.17Å
549	I	96.6	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	174.7	-48.1	-180	0	0	0	108.2	F496 Y565 L568 L569 K574 P575 A576	F496-I549 HydrophobicContact CD1-CG2 3.6Å; F496-I549 HydrophobicContact CE1-CG2 3.83Å; F496-I549 HydrophobicContact CG-CG2 4.31Å; I549-Y565 HydrophobicContact CD1-CD2 3.86Å; I549-Y565 HydrophobicContact CD1-CE2 3.75Å; I549-Y565 HydrophobicContact CG2-CD2 4.03Å; I549-Y565 HydrophobicContact CG2-CE2 4.21Å; I549-L568 HydrophobicContact CD1-CB 3.71Å; I549-L568 HydrophobicContact CD1-CD1 4.39Å; I549-L568 HydrophobicContact CG1-CB 4.14Å; I549-L568 HydrophobicContact CG1-CD1 4.25Å; I549-L568 HydrophobicContact CG2-CD1 4.26Å; I549-L569 HydrophobicContact CD1-CD2 3.82Å; I549-L569 HydrophobicContact CD1-CG 4.23Å; I549-K574 PolarHBondContact N-O 2.77Å; I549-P575 WeakPolarHBondContact O-CA 3.07Å; I549-A576 PolarHBondContact O-N 3.37Å
550	A	96.6	Very high	92.9	Very high	10 Å²	10	46 Å²	46	8%	0.083	23%	0.228	C	C	.	.			trans	-136.3	151.9	169.9	0	0	0	0	0	110.1	F496 T497 A576	F496-A550 CarbonylContact C-O 3.44Å; F496-A550 WeakPolarHBondContact CA-O 3.47Å; F496-A550 WeakPolarHBondContact CB-O 3.09Å; T497-A550 HydrophobicContact CG2-CB 4.15Å; T497-A550 PolarHBondContact N-O 3.09Å; T497-A550 PolarHBondContact OG1-O 2.98Å; A550-A576 HydrophobicContact CB-CB 3.94Å
551	T	94.7	Very high	92.8	Very high	26 Å²	26	46 Å²	46	16%	0.16	23%	0.228	C	C	.	.			trans	-140.8	143.2	168.3	-170.5	0	0	0	0	108.2	E495 P554 I557 L584	E495-T551 WeakPolarHBondContact O-CB 2.98Å; E495-T551 PolarHBondContact O-OG1 2.73Å; T551-P554 HydrophobicContact CG2-CB 4.05Å; T551-I557 HydrophobicContact CG2-CD1 4Å; T551-L584 HydrophobicContact CG2-CD1 4.04Å
552	T	90.2	Very high	92.8	Very high	77 Å²	77	44.7 Å²	44.7	47%	0.472	22%	0.221	S	C	.	.	S	Bend	trans	-97.3	-14.6	179.5	56	0	0	0	0	113.1	F494	F494-T552 WeakPolarHBondContact CZ-OG1 3.31Å
553	E	88.5	Confident	92.8	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	20%	0.197	S	C	.	.			trans	-135.2	65.1	-174.4	-60.1	-177.8	142.4	0	0	109.1	F494 E555 M556	F494-E553 HydrophobicContact CZ-CG 4.39Å; E553-E555 PolarHBondContact O-N 2.92Å; E553-E555 VanDerWaalsContact O-N 3.14Å; E553-M556 HydrophobicContact CB-CB 4.11Å; E553-M556 HydrophobicContact CB-CG 3.66Å; E553-M556 VanDerWaalsContact O-CB 3.29Å; E553-M556 WeakPolarHBondContact O-CB 3.29Å; E553-M556 PolarHBondContact O-N 3.08Å
554	P	90.7	Very high	92.8	Very high	48 Å²	48	40.3 Å²	40.3	31%	0.312	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-57.1	-30.6	-175.6	24.3	-34.6	0	0	0	112.9	T551 M556 I557 L584 Y587	T551-P554 HydrophobicContact CG2-CB 4.05Å; P554-M556 PolarHBondContact O-N 2.71Å; P554-I557 WeakPolarHBondContact O-CB 3.49Å; P554-I557 PolarHBondContact O-N 2.88Å; P554-I557 VanDerWaalsContact O-N 3.1Å; P554-L584 HydrophobicContact CB-CD1 4.09Å; P554-Y587 WeakPolarHBondContact O-CE1 3.23Å
555	E	88.7	Confident	92.9	Very high	114 Å²	114	40.4 Å²	40.4	53%	0.533	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.8	-14	175	69.9	-72.4	168	0	0	114.8	E553 Y587	E553-E555 PolarHBondContact O-N 2.92Å; E553-E555 VanDerWaalsContact O-N 3.14Å; E555-Y587 WeakPolarHBondContact CA-OH 3.16Å; E555-Y587 PolarHBondContact O-OH 3.43Å
556	M	88.7	Confident	93	Very high	40 Å²	40	37 Å²	37	20%	0.197	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-86.8	-13.3	176.4	-63.7	-68.4	-105.5	0	0	112.6	K491 R492 E553 P554	K491-M556 HydrophobicContact CB-CE 3.92Å; K491-M556 WeakPolarHBondContact O-CE 3.5Å; R492-M556 VanDerWaalsContact CD-O 3.27Å; R492-M556 WeakPolarHBondContact CD-O 3.33Å; R492-M556 HydrophobicContact CG-CB 4.23Å; R492-M556 HydrophobicContact CG-CE 3.94Å; R492-M556 HydrophobicContact CG-SD 3.92Å; E553-M556 HydrophobicContact CB-CB 4.11Å; E553-M556 HydrophobicContact CB-CG 3.66Å; E553-M556 VanDerWaalsContact O-CB 3.29Å; E553-M556 WeakPolarHBondContact O-CB 3.29Å; E553-M556 PolarHBondContact O-N 3.08Å; P554-M556 PolarHBondContact O-N 2.71Å
557	I	89.7	Confident	93	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.177	C	C	.	.			trans	-71.6	130.1	-179.7	-61.9	177.3	0	0	0	110.7	F496 T551 P554 L584 M588 R591	F496-I557 HydrophobicContact CE1-CD1 4.09Å; F496-I557 HydrophobicContact CZ-CD1 4.25Å; T551-I557 HydrophobicContact CG2-CD1 4Å; P554-I557 WeakPolarHBondContact O-CB 3.49Å; P554-I557 PolarHBondContact O-N 2.88Å; P554-I557 VanDerWaalsContact O-N 3.1Å; I557-L584 HydrophobicContact CD1-CD1 4.27Å; I557-M588 HydrophobicContact CD1-CG 4.42Å; I557-M588 HydrophobicContact CD1-SD 4.33Å; I557-M588 HydrophobicContact CG2-CG 4.05Å; I557-R591 WeakPolarHBondContact O-CG 3.34Å
558	R	91.5	Very high	93	Very high	106 Å²	106	32.2 Å²	32.2	40%	0.4	16%	0.164	S	C	.	.			trans	-99.4	170.8	170.7	-75	-73.5	179.9	141.4	0.3	110.6	G560 G561 D595	R558-G560 PolarHBondContact O-N 3.12Å; R558-G561 PolarHBondContact O-N 3.44Å; R558-D595 WeakPolarHBondContact CD-OD1 3.47Å; R558-D595 WeakPolarHBondContact CD-OD2 3.44Å; R558-D595 IonicContact CZ-OD1 3.73Å; R558-D595 IonicContact NE-OD1 3.98Å; R558-D595 IonicContact NH1-OD1 2.75Å; R558-D595 PolarHBondContact NH1-OD1 3.36Å
559	G	87.9	Confident	93	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25.2	-174.6	0	0	0	0	0	116	G561 L562 D595	G559-G561 VanDerWaalsContact C-N 3.27Å; G559-G561 PolarHBondContact O-N 3.38Å; G559-L562 PolarHBondContact O-N 3Å; G559-D595 PolarHBondContact N-OD2 3.03Å
560	G	91.7	Very high	92.8	Very high	22 Å²	22	34.5 Å²	34.5	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-28.4	171.8	0	0	0	0	0	114.4	R558 L562 L563 K564	R558-G560 PolarHBondContact O-N 3.12Å; G560-L562 VanDerWaalsContact C-N 3.29Å; G560-L562 PolarHBondContact O-N 3.03Å; G560-L563 WeakPolarHBondContact O-CB 3.45Å; G560-L563 PolarHBondContact O-N 2.8Å; G560-K564 PolarHBondContact O-N 3.22Å; G560-K564 VanDerWaalsContact O-N 3.08Å
561	G	93.9	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-28.2	179.8	0	0	0	0	0	114	R558 G559 L563 K564 Y565	R558-G561 PolarHBondContact O-N 3.44Å; G559-G561 VanDerWaalsContact C-N 3.27Å; G559-G561 PolarHBondContact O-N 3.38Å; G561-L563 VanDerWaalsContact C-N 3.31Å; G561-L563 PolarHBondContact O-N 2.75Å; G561-K564 PolarHBondContact O-N 3.34Å; G561-Y565 VanDerWaalsContact O-CB 3.23Å; G561-Y565 WeakPolarHBondContact O-CB 3.36Å; G561-Y565 PolarHBondContact O-N 3.41Å
562	L	95.4	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-43.5	170.1	178.7	67.3	0	0	0	111.3	G559 G560 Y565 C566 M588 F592 L629 V632 V633	G559-L562 PolarHBondContact O-N 3Å; G560-L562 VanDerWaalsContact C-N 3.29Å; G560-L562 PolarHBondContact O-N 3.03Å; L562-Y565 PolarHBondContact O-N 3.49Å; L562-C566 PolarHBondContact O-N 3.01Å; L562-C566 PolarHBondContact O-SG 3.46Å; L562-M588 HydrophobicContact CB-CB 4.12Å; L562-M588 HydrophobicContact CD1-CB 4.11Å; L562-F592 HydrophobicContact CB-CB 4.42Å; L562-F592 HydrophobicContact CD2-CB 3.71Å; L562-F592 HydrophobicContact CD2-CD1 4.41Å; L562-F592 HydrophobicContact CD2-CD2 4.08Å; L562-F592 HydrophobicContact CD2-CG 3.82Å; L562-L629 HydrophobicContact CD2-CD1 4.05Å; L562-L629 HydrophobicContact CG-CD1 4.06Å; L562-V632 HydrophobicContact CD1-CG1 3.73Å; L562-V633 HydrophobicContact CD2-CG2 4.06Å
563	L	95.9	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-178.8	-51.5	-176.8	0	0	0	110.4	G560 G561 C566 R567 F592 K605 L606 F609 Y625 L629	G560-L563 WeakPolarHBondContact O-CB 3.45Å; G560-L563 PolarHBondContact O-N 2.8Å; G561-L563 VanDerWaalsContact C-N 3.31Å; G561-L563 PolarHBondContact O-N 2.75Å; L563-C566 PolarHBondContact O-N 2.91Å; L563-R567 PolarHBondContact O-N 2.73Å; L563-F592 HydrophobicContact CD1-CE2 4.41Å; L563-F592 HydrophobicContact CD2-CD2 4.29Å; L563-F592 HydrophobicContact CD2-CE2 3.94Å; L563-F592 HydrophobicContact CG-CE2 4.4Å; L563-K605 HydrophobicContact CD1-CG 3.97Å; L563-L606 HydrophobicContact CD1-CD2 4.48Å; L563-L606 HydrophobicContact CD2-CD2 3.6Å; L563-F609 HydrophobicContact CB-CD1 4.42Å; L563-F609 HydrophobicContact CB-CD2 3.71Å; L563-F609 HydrophobicContact CB-CE1 4.26Å; L563-F609 HydrophobicContact CB-CE2 3.52Å; L563-F609 HydrophobicContact CB-CG 4.16Å; L563-F609 HydrophobicContact CB-CZ 3.82Å; L563-F609 HydrophobicContact CD1-CB 4.22Å; L563-F609 HydrophobicContact CD1-CD2 3.88Å; L563-F609 HydrophobicContact CD1-CG 4.12Å; L563-F609 HydrophobicContact CG-CD2 4.46Å; L563-F609 WeakPolarHBondContact O-CZ 3.22Å; L563-Y625 VanDerWaalsContact CA-OH 3.3Å; L563-Y625 WeakPolarHBondContact CA-OH 3.13Å; L563-Y625 VanDerWaalsContact CB-OH 3.28Å; L563-Y625 WeakPolarHBondContact CB-OH 3.5Å; L563-Y625 WeakPolarHBondContact CD2-OH 3.3Å; L563-Y625 WeakPolarHBondContact O-CE2 3.31Å; L563-Y625 PolarHBondContact O-OH 3.09Å; L563-L629 HydrophobicContact CD2-CD1 4.04Å; L563-L629 HydrophobicContact CD2-CD2 4.28Å
564	K	94.1	Very high	93.1	Very high	55 Å²	55	36.9 Å²	36.9	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-43.7	174.3	-171.3	175.9	-176.5	178	0	112.4	E495 F496 D499 G560 G561 C566 R567 L568	E495-K564 HydrophobicContact CB-CD 4.38Å; E495-K564 WeakPolarHBondContact OE2-CD 3.46Å; E495-K564 WeakPolarHBondContact OE2-CE 3.33Å; E495-K564 IonicContact OE2-NZ 3.97Å; E495-K564 PolarHBondContact OE2-NZ 3.27Å; F496-K564 HydrophobicContact CD2-CD 4.06Å; F496-K564 HydrophobicContact CD2-CG 4.27Å; F496-K564 HydrophobicContact CE2-CB 4.21Å; F496-K564 HydrophobicContact CE2-CD 4.04Å; F496-K564 HydrophobicContact CE2-CG 4.04Å; D499-K564 VanDerWaalsContact CG-CE 3.49Å; D499-K564 WeakPolarHBondContact OD1-CE 3.36Å; D499-K564 IonicContact OD1-NZ 3.35Å; D499-K564 PolarHBondContact OD1-NZ 2.87Å; D499-K564 IonicContact OD2-NZ 2.91Å; D499-K564 PolarHBondContact OD2-NZ 2.63Å; G560-K564 PolarHBondContact O-N 3.22Å; G560-K564 VanDerWaalsContact O-N 3.08Å; G561-K564 PolarHBondContact O-N 3.34Å; K564-C566 PolarHBondContact O-N 2.99Å; K564-R567 PolarHBondContact O-N 2.76Å; K564-R567 VanDerWaalsContact O-N 3.12Å; K564-L568 WeakPolarHBondContact O-CG 3.32Å; K564-L568 PolarHBondContact O-N 3.04Å
565	Y	96.2	Very high	93.4	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-55.5	-48.5	172.8	175.3	-107.7	0	0	0	111.4	F496 I549 G561 L562 R567 L568 L569 E585 M588 V632	F496-Y565 HydrophobicContact CE1-CD2 4.5Å; F496-Y565 HydrophobicContact CZ-CD2 4.48Å; I549-Y565 HydrophobicContact CD1-CD2 3.86Å; I549-Y565 HydrophobicContact CD1-CE2 3.75Å; I549-Y565 HydrophobicContact CG2-CD2 4.03Å; I549-Y565 HydrophobicContact CG2-CE2 4.21Å; G561-Y565 VanDerWaalsContact O-CB 3.23Å; G561-Y565 WeakPolarHBondContact O-CB 3.36Å; G561-Y565 PolarHBondContact O-N 3.41Å; L562-Y565 PolarHBondContact O-N 3.49Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.03Å; Y565-L568 WeakPolarHBondContact O-CB 3.32Å; Y565-L568 PolarHBondContact O-N 3.32Å; Y565-L568 VanDerWaalsContact O-N 3.11Å; Y565-L569 HydrophobicContact CD1-CD1 4.07Å; Y565-L569 HydrophobicContact CE1-CD1 3.53Å; Y565-L569 HydrophobicContact CE1-CG 4.29Å; Y565-L569 HydrophobicContact CE2-CD1 4.48Å; Y565-L569 HydrophobicContact CE2-CD2 4.5Å; Y565-L569 HydrophobicContact CE2-CG 4.45Å; Y565-L569 PolarHBondContact O-N 3.02Å; Y565-E585 HydrophobicContact CE1-CG 3.63Å; Y565-E585 WeakPolarHBondContact CE1-OE1 3.41Å; Y565-E585 VanDerWaalsContact CZ-OE1 3.3Å; Y565-E585 PolarHBondContact OH-OE1 2.98Å; Y565-M588 HydrophobicContact CD1-CE 3.51Å; Y565-M588 HydrophobicContact CD2-CE 3.74Å; Y565-M588 HydrophobicContact CD2-SD 4.46Å; Y565-M588 HydrophobicContact CE1-CE 3.94Å; Y565-M588 HydrophobicContact CE2-CE 4.17Å; Y565-M588 HydrophobicContact CG-CE 3.39Å; Y565-M588 HydrophobicContact CG-SD 4.12Å; Y565-V632 HydrophobicContact CE1-CG1 4.32Å; Y565-V632 HydrophobicContact CE1-CG2 4.05Å
566	C	96.9	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-36.9	176.3	-63.5	0	0	0	0	112.2	L562 L563 K564 L569 V570 Y625 I628	L562-C566 PolarHBondContact O-N 3.01Å; L562-C566 PolarHBondContact O-SG 3.46Å; L563-C566 PolarHBondContact O-N 2.91Å; K564-C566 PolarHBondContact O-N 2.99Å; C566-L569 PolarHBondContact O-N 3.11Å; C566-V570 VanDerWaalsContact O-CG2 3.32Å; C566-V570 WeakPolarHBondContact O-CG2 3.32Å; C566-V570 PolarHBondContact O-N 2.88Å; C566-Y625 HydrophobicContact CB-CD2 4.06Å; C566-Y625 HydrophobicContact CB-CE2 3.54Å; C566-I628 HydrophobicContact CB-CG2 4.18Å
567	R	94.5	Very high	93.9	Very high	49 Å²	49	39.4 Å²	39.4	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-34.7	172.7	175.3	170.3	164	162.8	-14	112.8	N232 L563 K564 Y565 V570 S571 F609 H613 Y625	N232-R567 PolarHBondContact ND2-NH1 3.26Å; N232-R567 PolarHBondContact OD1-NH1 3.05Å; N232-R567 PolarHBondContact OD1-NH2 3.4Å; L563-R567 PolarHBondContact O-N 2.73Å; K564-R567 PolarHBondContact O-N 2.76Å; K564-R567 VanDerWaalsContact O-N 3.12Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.03Å; R567-V570 PolarHBondContact O-N 3.1Å; R567-S571 WeakPolarHBondContact O-CB 3.44Å; R567-S571 PolarHBondContact O-N 2.85Å; R567-S571 PolarHBondContact O-OG 3.45Å; R567-F609 HydrophobicContact CB-CE1 4.39Å; R567-F609 HydrophobicContact CB-CZ 4.19Å; R567-H613 VanDerWaalsContact NH1-CA 3.33Å; R567-H613 PolarHBondContact NH1-CD2 2.98Å; R567-H613 PolarHBondContact NH1-O 3.4Å; R567-Y625 HydrophobicContact CB-CE2 4.3Å
568	L	94.3	Very high	94	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-47	173.5	-70.1	174.1	0	0	0	110.4	F496 V498 I549 K564 Y565 V570 S571 G572 Y573	F496-L568 HydrophobicContact CB-CD1 4.5Å; F496-L568 HydrophobicContact CD2-CD1 3.79Å; F496-L568 HydrophobicContact CE2-CD1 4.2Å; F496-L568 HydrophobicContact CG-CD1 4.07Å; V498-L568 HydrophobicContact CG2-CD1 4.1Å; V498-L568 HydrophobicContact CG2-CD2 4.06Å; I549-L568 HydrophobicContact CD1-CB 3.71Å; I549-L568 HydrophobicContact CD1-CD1 4.39Å; I549-L568 HydrophobicContact CG1-CB 4.14Å; I549-L568 HydrophobicContact CG1-CD1 4.25Å; I549-L568 HydrophobicContact CG2-CD1 4.26Å; K564-L568 WeakPolarHBondContact O-CG 3.32Å; K564-L568 PolarHBondContact O-N 3.04Å; Y565-L568 WeakPolarHBondContact O-CB 3.32Å; Y565-L568 PolarHBondContact O-N 3.32Å; Y565-L568 VanDerWaalsContact O-N 3.11Å; L568-V570 PolarHBondContact O-N 3.42Å; L568-S571 CarbonylContact O-C 3.59Å; L568-S571 WeakPolarHBondContact O-CA 3.42Å; L568-S571 WeakPolarHBondContact O-CB 3.34Å; L568-S571 PolarHBondContact O-N 2.62Å; L568-G572 PolarHBondContact O-N 3.44Å; L568-Y573 HydrophobicContact CB-CG 4.18Å; L568-Y573 HydrophobicContact CD2-CD1 4.04Å; L568-Y573 HydrophobicContact CD2-CD2 4.29Å; L568-Y573 HydrophobicContact CD2-CE1 4.16Å; L568-Y573 HydrophobicContact CD2-CE2 4.42Å; L568-Y573 HydrophobicContact CD2-CG 4.14Å; L568-Y573 VanDerWaalsContact O-CB 3.29Å; L568-Y573 WeakPolarHBondContact O-CB 3.5Å; L568-Y573 VanDerWaalsContact O-CD2 3.22Å; L568-Y573 WeakPolarHBondContact O-CD2 3.49Å; L568-Y573 PolarHBondContact O-N 2.99Å
569	L	95.8	Very high	94.1	Very high	39 Å²	39	40.2 Å²	40.2	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-44.4	175.1	-66.5	178.6	0	0	0	112.3	I549 Y565 C566 S571 G572 I628 V632	I549-L569 HydrophobicContact CD1-CD2 3.82Å; I549-L569 HydrophobicContact CD1-CG 4.23Å; Y565-L569 HydrophobicContact CD1-CD1 4.07Å; Y565-L569 HydrophobicContact CE1-CD1 3.53Å; Y565-L569 HydrophobicContact CE1-CG 4.29Å; Y565-L569 HydrophobicContact CE2-CD1 4.48Å; Y565-L569 HydrophobicContact CE2-CD2 4.5Å; Y565-L569 HydrophobicContact CE2-CG 4.45Å; Y565-L569 PolarHBondContact O-N 3.02Å; C566-L569 PolarHBondContact O-N 3.11Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 2.57Å; L569-G572 PolarHBondContact O-N 2.91Å; L569-I628 HydrophobicContact CB-CD1 4.17Å; L569-I628 HydrophobicContact CB-CG2 4.02Å; L569-I628 HydrophobicContact CD1-CG2 3.61Å; L569-I628 HydrophobicContact CG-CG2 4.47Å; L569-V632 HydrophobicContact CD1-CG2 4.35Å
570	V	93.4	Very high	94.4	Very high	42 Å²	42	44.6 Å²	44.6	26%	0.255	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-38.3	173.7	173	0	0	0	0	112.1	C566 R567 L568 G572 F614 Y625 I628	C566-V570 VanDerWaalsContact O-CG2 3.32Å; C566-V570 WeakPolarHBondContact O-CG2 3.32Å; C566-V570 PolarHBondContact O-N 2.88Å; R567-V570 PolarHBondContact O-N 3.1Å; L568-V570 PolarHBondContact O-N 3.42Å; V570-G572 PolarHBondContact O-N 3.4Å; V570-G572 VanDerWaalsContact O-N 3.13Å; V570-F614 HydrophobicContact CG1-CE1 4.26Å; V570-Y625 VanDerWaalsContact CG2-CA 3.49Å; V570-Y625 HydrophobicContact CG2-CD2 4.16Å; V570-I628 HydrophobicContact CG2-CD1 3.81Å
571	S	90.3	Very high	94.5	Very high	41 Å²	41	45.9 Å²	45.9	29%	0.287	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	4.2	176.7	-53.5	0	0	0	0	114	R567 L568 L569	R567-S571 WeakPolarHBondContact O-CB 3.44Å; R567-S571 PolarHBondContact O-N 2.85Å; R567-S571 PolarHBondContact O-OG 3.45Å; L568-S571 CarbonylContact O-C 3.59Å; L568-S571 WeakPolarHBondContact O-CA 3.42Å; L568-S571 WeakPolarHBondContact O-CB 3.34Å; L568-S571 PolarHBondContact O-N 2.62Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 2.57Å
572	G	93	Very high	94.4	Very high	45 Å²	45	51.2 Å²	51.2	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	13	178.1	0	0	0	0	0	115.3	L568 L569 V570	L568-G572 PolarHBondContact O-N 3.44Å; L569-G572 PolarHBondContact O-N 2.91Å; V570-G572 PolarHBondContact O-N 3.4Å; V570-G572 VanDerWaalsContact O-N 3.13Å
573	Y	95.4	Very high	94.2	Very high	6 Å²	6	55 Å²	55	2%	0.024	31%	0.311	C	S	.	.			trans	-79.6	156.9	-179.7	-66.2	-120.6	0	0	0	111.1	Y228 V498 K547 L568	Y228-Y573 WeakPolarHBondContact CE2-OH 3.49Å; Y228-Y573 PolarHBondContact OH-OH 3.04Å; V498-Y573 HydrophobicContact CG1-CE1 4.23Å; K547-Y573 VanDerWaalsContact CA-CD1 3.45Å; K547-Y573 HydrophobicContact CB-CD1 3.76Å; K547-Y573 HydrophobicContact CB-CD2 4.04Å; K547-Y573 HydrophobicContact CB-CE1 3.92Å; K547-Y573 HydrophobicContact CB-CE2 4.2Å; K547-Y573 HydrophobicContact CB-CG 3.79Å; K547-Y573 HydrophobicContact CD-CD2 4.27Å; K547-Y573 HydrophobicContact CD-CE2 3.99Å; K547-Y573 HydrophobicContact CG-CD1 4.43Å; K547-Y573 HydrophobicContact CG-CD2 4.32Å; K547-Y573 HydrophobicContact CG-CE1 4.12Å; K547-Y573 HydrophobicContact CG-CE2 4Å; K547-Y573 HydrophobicContact CG-CG 4.49Å; K547-Y573 CarbonylContact O-C 3.57Å; K547-Y573 WeakPolarHBondContact O-CA 3.45Å; K547-Y573 WeakPolarHBondContact O-CB 3.32Å; L568-Y573 HydrophobicContact CB-CG 4.18Å; L568-Y573 HydrophobicContact CD2-CD1 4.04Å; L568-Y573 HydrophobicContact CD2-CD2 4.29Å; L568-Y573 HydrophobicContact CD2-CE1 4.16Å; L568-Y573 HydrophobicContact CD2-CE2 4.42Å; L568-Y573 HydrophobicContact CD2-CG 4.14Å; L568-Y573 VanDerWaalsContact O-CB 3.29Å; L568-Y573 WeakPolarHBondContact O-CB 3.5Å; L568-Y573 VanDerWaalsContact O-CD2 3.22Å; L568-Y573 WeakPolarHBondContact O-CD2 3.49Å; L568-Y573 PolarHBondContact O-N 2.99Å
574	K	96.4	Very high	94	Very high	144 Å²	144	55.6 Å²	55.6	63%	0.626	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.5	-179.6	-60.7	175.1	-171.9	168.9	0	110.4	K547 L548 I549 A576	K547-K574 PolarHBondContact O-N 3Å; L548-K574 CarbonylContact C-O 3.56Å; L548-K574 VanDerWaalsContact CA-O 3.3Å; L548-K574 WeakPolarHBondContact CA-O 3.45Å; I549-K574 PolarHBondContact N-O 2.77Å; K574-A576 PolarHBondContact O-N 2.88Å
575	P	96.7	Very high	94	Very high	40 Å²	40	54.6 Å²	54.6	26%	0.26	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	136.8	170.9	-28.1	36.8	0	0	0	112.5	I549 V579 V581	I549-P575 WeakPolarHBondContact O-CA 3.07Å; P575-V579 HydrophobicContact CB-CB 4.31Å; P575-V579 HydrophobicContact CB-CG1 4.35Å; P575-V581 HydrophobicContact CB-CG2 3.64Å; P575-V581 HydrophobicContact CG-CG1 4.2Å; P575-V581 HydrophobicContact CG-CG2 3.63Å
576	A	96.3	Very high	93.8	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.4	160.1	177	0	0	0	0	0	111.8	L548 I549 A550 K574 G578 V579	L548-A576 HydrophobicContact CB-CB 4.17Å; I549-A576 PolarHBondContact O-N 3.37Å; A550-A576 HydrophobicContact CB-CB 3.94Å; K574-A576 PolarHBondContact O-N 2.88Å; A576-G578 PolarHBondContact O-N 2.92Å; A576-V579 HydrophobicContact CB-CG2 4.03Å; A576-V579 WeakPolarHBondContact O-CB 3.42Å; A576-V579 WeakPolarHBondContact O-CG2 3.28Å; A576-V579 PolarHBondContact O-N 3.19Å; A576-V579 VanDerWaalsContact O-N 3.16Å
577	E	93	Very high	93.5	Very high	204 Å²	204	62.2 Å²	62.2	95%	0.953	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	130.6	177.6	-169.9	178.2	173.2	0	0	111
578	G	92	Very high	93.5	Very high	82 Å²	82	59.9 Å²	59.9	85%	0.845	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-3.9	-177.6	0	0	0	0	0	115.7	A576 D580	A576-G578 PolarHBondContact O-N 2.92Å; G578-D580 PolarHBondContact O-N 3.31Å
579	V	93.5	Very high	93.4	Very high	42 Å²	42	59 Å²	59	26%	0.255	33%	0.328	S	S	.	.			trans	-75.6	120.2	171.6	177.7	0	0	0	0	110.1	P575 A576 V581 L584	P575-V579 HydrophobicContact CB-CB 4.31Å; P575-V579 HydrophobicContact CB-CG1 4.35Å; A576-V579 HydrophobicContact CB-CG2 4.03Å; A576-V579 WeakPolarHBondContact O-CB 3.42Å; A576-V579 WeakPolarHBondContact O-CG2 3.28Å; A576-V579 PolarHBondContact O-N 3.19Å; A576-V579 VanDerWaalsContact O-N 3.16Å; V579-V581 PolarHBondContact O-N 3.12Å; V579-L584 HydrophobicContact CG1-CD2 3.77Å
580	D	93.5	Very high	93.1	Very high	92 Å²	92	59.2 Å²	59.2	49%	0.492	33%	0.333	S	S	.	.			trans	-74.3	92.8	167.8	-179.7	-4.9	0	0	0	109.8	G578 Y582 T583 L584	G578-D580 PolarHBondContact O-N 3.31Å; D580-Y582 VanDerWaalsContact C-N 3.28Å; D580-Y582 PolarHBondContact O-N 3.35Å; D580-Y582 PolarHBondContact OD1-N 3.3Å; D580-T583 VanDerWaalsContact CG-CB 3.48Å; D580-T583 PolarHBondContact O-N 2.96Å; D580-T583 PolarHBondContact OD1-N 3.1Å; D580-T583 WeakPolarHBondContact OD2-CB 3.47Å; D580-T583 PolarHBondContact OD2-OG1 2.76Å; D580-L584 VanDerWaalsContact O-CB 3.3Å; D580-L584 WeakPolarHBondContact O-CB 3.22Å; D580-L584 PolarHBondContact O-N 3.18Å
581	V	93.6	Very high	93.1	Very high	49 Å²	49	59 Å²	59	30%	0.297	33%	0.327	S	S	.	.	H	α-helix	trans	-56.1	-41.6	179.4	-171	0	0	0	0	111.7	P575 V579 L584 E585	P575-V581 HydrophobicContact CB-CG2 3.64Å; P575-V581 HydrophobicContact CG-CG1 4.2Å; P575-V581 HydrophobicContact CG-CG2 3.63Å; V579-V581 PolarHBondContact O-N 3.12Å; V581-L584 PolarHBondContact O-N 2.89Å; V581-E585 HydrophobicContact CG1-CG 4.15Å; V581-E585 WeakPolarHBondContact CG1-OE1 3.46Å; V581-E585 VanDerWaalsContact O-CB 3.3Å; V581-E585 WeakPolarHBondContact O-CB 3.46Å; V581-E585 VanDerWaalsContact O-CG 3.32Å; V581-E585 WeakPolarHBondContact O-CG 3.46Å; V581-E585 PolarHBondContact O-N 3.01Å
582	Y	91.5	Very high	93.2	Very high	113 Å²	113	57.1 Å²	57.1	44%	0.443	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-42.1	-175.7	178.8	-106.2	0	0	0	111.7	R379 D580 K586	R379-Y582 PolarHBondContact NH2-OH 3.44Å; D580-Y582 VanDerWaalsContact C-N 3.28Å; D580-Y582 PolarHBondContact O-N 3.35Å; D580-Y582 PolarHBondContact OD1-N 3.3Å; Y582-K586 WeakPolarHBondContact O-CB 3.29Å; Y582-K586 PolarHBondContact O-N 3.21Å; Y582-K586 VanDerWaalsContact O-N 3.08Å
583	T	91.1	Very high	93.2	Very high	80 Å²	80	55.1 Å²	55.1	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-40.5	174.4	-65.5	0	0	0	0	111.5	D580 Y587	D580-T583 VanDerWaalsContact CG-CB 3.48Å; D580-T583 PolarHBondContact O-N 2.96Å; D580-T583 PolarHBondContact OD1-N 3.1Å; D580-T583 WeakPolarHBondContact OD2-CB 3.47Å; D580-T583 PolarHBondContact OD2-OG1 2.76Å; T583-Y587 WeakPolarHBondContact O-CB 2.99Å; T583-Y587 PolarHBondContact O-N 3Å
584	L	93	Very high	93	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-48.6	179.2	-176.7	61	0	0	0	112.1	T551 P554 I557 V579 D580 V581 Y587 M588	T551-L584 HydrophobicContact CG2-CD1 4.04Å; P554-L584 HydrophobicContact CB-CD1 4.09Å; I557-L584 HydrophobicContact CD1-CD1 4.27Å; V579-L584 HydrophobicContact CG1-CD2 3.77Å; D580-L584 VanDerWaalsContact O-CB 3.3Å; D580-L584 WeakPolarHBondContact O-CB 3.22Å; D580-L584 PolarHBondContact O-N 3.18Å; V581-L584 PolarHBondContact O-N 2.89Å; L584-Y587 PolarHBondContact O-N 3.15Å; L584-M588 HydrophobicContact CD1-CG 4.35Å; L584-M588 HydrophobicContact CD1-SD 4.32Å; L584-M588 HydrophobicContact CD2-CE 4.5Å; L584-M588 HydrophobicContact CG-CE 3.88Å; L584-M588 HydrophobicContact CG-SD 4.28Å; L584-M588 WeakPolarHBondContact O-CG 3.41Å; L584-M588 PolarHBondContact O-N 3.46Å
585	E	93.8	Very high	92.7	Very high	34 Å²	34	53.7 Å²	53.7	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-45.1	176.7	-74.6	-179.7	175.9	0	0	111.6	Y565 V581 Y587 M588 S589 V632 S636	Y565-E585 HydrophobicContact CE1-CG 3.63Å; Y565-E585 WeakPolarHBondContact CE1-OE1 3.41Å; Y565-E585 VanDerWaalsContact CZ-OE1 3.3Å; Y565-E585 PolarHBondContact OH-OE1 2.98Å; V581-E585 HydrophobicContact CG1-CG 4.15Å; V581-E585 WeakPolarHBondContact CG1-OE1 3.46Å; V581-E585 VanDerWaalsContact O-CB 3.3Å; V581-E585 WeakPolarHBondContact O-CB 3.46Å; V581-E585 VanDerWaalsContact O-CG 3.32Å; V581-E585 WeakPolarHBondContact O-CG 3.46Å; V581-E585 PolarHBondContact O-N 3.01Å; E585-Y587 VanDerWaalsContact C-N 3.29Å; E585-Y587 PolarHBondContact O-N 3.26Å; E585-M588 HydrophobicContact CG-CE 4.29Å; E585-M588 PolarHBondContact O-N 2.92Å; E585-S589 WeakPolarHBondContact O-CB 3.14Å; E585-S589 PolarHBondContact O-N 3.01Å; E585-S589 PolarHBondContact O-OG 3.43Å; E585-S589 VanDerWaalsContact O-OG 3.05Å; E585-V632 HydrophobicContact CB-CG1 4Å; E585-V632 HydrophobicContact CG-CG1 3.81Å; E585-S636 VanDerWaalsContact C-OG 3.26Å; E585-S636 PolarHBondContact O-OG 2.67Å
586	K	90.9	Very high	92.4	Very high	86 Å²	86	53.5 Å²	53.5	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-39.7	175.3	-174.3	-176.8	178.9	-170.8	0	112	Y582 S590 S636	Y582-K586 WeakPolarHBondContact O-CB 3.29Å; Y582-K586 PolarHBondContact O-N 3.21Å; Y582-K586 VanDerWaalsContact O-N 3.08Å; K586-S590 VanDerWaalsContact O-CB 3.31Å; K586-S590 WeakPolarHBondContact O-CB 3.1Å; K586-S590 PolarHBondContact O-N 3.49Å; K586-S636 PolarHBondContact N-OG 2.79Å
587	Y	91.6	Very high	92.2	Very high	76 Å²	76	59.8 Å²	59.8	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-51.9	175.9	-174.6	-89.1	0	0	0	111.5	P554 E555 T583 L584 E585 S589 S590 R591	P554-Y587 WeakPolarHBondContact O-CE1 3.23Å; E555-Y587 WeakPolarHBondContact CA-OH 3.16Å; E555-Y587 PolarHBondContact O-OH 3.43Å; T583-Y587 WeakPolarHBondContact O-CB 2.99Å; T583-Y587 PolarHBondContact O-N 3Å; L584-Y587 PolarHBondContact O-N 3.15Å; E585-Y587 VanDerWaalsContact C-N 3.29Å; E585-Y587 PolarHBondContact O-N 3.26Å; Y587-S589 VanDerWaalsContact C-N 3.33Å; Y587-S589 PolarHBondContact O-N 2.91Å; Y587-S590 WeakPolarHBondContact O-CB 3.38Å; Y587-S590 PolarHBondContact O-N 2.84Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-R591 HydrophobicContact CD1-CG 3.84Å; Y587-R591 HydrophobicContact CE1-CG 3.3Å; Y587-R591 HydrophobicContact CE2-CG 4.47Å; Y587-R591 WeakPolarHBondContact O-CG 3.36Å; Y587-R591 PolarHBondContact O-N 3.44Å
588	M	93.7	Very high	92.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-39.9	180	-68.4	-174.4	-58.6	0	0	112.2	F496 I557 L562 Y565 L584 E585 R591 F592	F496-M588 HydrophobicContact CE1-SD 4.28Å; F496-M588 HydrophobicContact CZ-SD 3.91Å; I557-M588 HydrophobicContact CD1-CG 4.42Å; I557-M588 HydrophobicContact CD1-SD 4.33Å; I557-M588 HydrophobicContact CG2-CG 4.05Å; L562-M588 HydrophobicContact CB-CB 4.12Å; L562-M588 HydrophobicContact CD1-CB 4.11Å; Y565-M588 HydrophobicContact CD1-CE 3.51Å; Y565-M588 HydrophobicContact CD2-CE 3.74Å; Y565-M588 HydrophobicContact CD2-SD 4.46Å; Y565-M588 HydrophobicContact CE1-CE 3.94Å; Y565-M588 HydrophobicContact CE2-CE 4.17Å; Y565-M588 HydrophobicContact CG-CE 3.39Å; Y565-M588 HydrophobicContact CG-SD 4.12Å; L584-M588 HydrophobicContact CD1-CG 4.35Å; L584-M588 HydrophobicContact CD1-SD 4.32Å; L584-M588 HydrophobicContact CD2-CE 4.5Å; L584-M588 HydrophobicContact CG-CE 3.88Å; L584-M588 HydrophobicContact CG-SD 4.28Å; L584-M588 WeakPolarHBondContact O-CG 3.41Å; L584-M588 PolarHBondContact O-N 3.46Å; E585-M588 HydrophobicContact CG-CE 4.29Å; E585-M588 PolarHBondContact O-N 2.92Å; M588-R591 PolarHBondContact O-N 3.33Å; M588-F592 PolarHBondContact O-N 2.89Å
589	S	92.4	Very high	92.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-50.1	171.9	-62.2	0	0	0	0	111.5	E585 Y587 R591 F592 F593 S636	E585-S589 WeakPolarHBondContact O-CB 3.14Å; E585-S589 PolarHBondContact O-N 3.01Å; E585-S589 PolarHBondContact O-OG 3.43Å; E585-S589 VanDerWaalsContact O-OG 3.05Å; Y587-S589 VanDerWaalsContact C-N 3.33Å; Y587-S589 PolarHBondContact O-N 2.91Å; S589-R591 VanDerWaalsContact C-N 3.28Å; S589-R591 PolarHBondContact O-N 3.46Å; S589-F592 WeakPolarHBondContact O-CA 3.47Å; S589-F592 WeakPolarHBondContact O-CB 3.4Å; S589-F592 PolarHBondContact O-N 2.91Å; S589-F593 WeakPolarHBondContact O-CD2 3.39Å; S589-F593 PolarHBondContact O-N 2.92Å; S589-F593 VanDerWaalsContact O-N 3.14Å; S589-S636 VanDerWaalsContact CB-CB 3.5Å; S589-S636 WeakPolarHBondContact OG-CB 3.42Å; S589-S636 PolarHBondContact OG-OG 3.1Å
590	S	90.9	Very high	92.2	Very high	44 Å²	44	54.9 Å²	54.9	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-43.3	176.3	-172.5	0	0	0	0	112.2	K586 Y587 F592 F593 I594	K586-S590 VanDerWaalsContact O-CB 3.31Å; K586-S590 WeakPolarHBondContact O-CB 3.1Å; K586-S590 PolarHBondContact O-N 3.49Å; Y587-S590 WeakPolarHBondContact O-CB 3.38Å; Y587-S590 PolarHBondContact O-N 2.84Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; S590-F592 VanDerWaalsContact C-N 3.35Å; S590-F592 PolarHBondContact O-N 3.3Å; S590-F593 PolarHBondContact O-N 3.3Å; S590-I594 WeakPolarHBondContact O-CD1 3.48Å; S590-I594 VanDerWaalsContact O-CG1 3.29Å; S590-I594 WeakPolarHBondContact O-CG1 3.5Å; S590-I594 PolarHBondContact O-N 3.29Å
591	R	92.4	Very high	92.3	Very high	37 Å²	37	52.4 Å²	52.4	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-36.3	174.1	-71.9	-54.8	-40.8	165.1	10.9	113.5	I557 Y587 M588 S589 I594 D595	I557-R591 WeakPolarHBondContact O-CG 3.34Å; Y587-R591 HydrophobicContact CD1-CG 3.84Å; Y587-R591 HydrophobicContact CE1-CG 3.3Å; Y587-R591 HydrophobicContact CE2-CG 4.47Å; Y587-R591 WeakPolarHBondContact O-CG 3.36Å; Y587-R591 PolarHBondContact O-N 3.44Å; M588-R591 PolarHBondContact O-N 3.33Å; S589-R591 VanDerWaalsContact C-N 3.28Å; S589-R591 PolarHBondContact O-N 3.46Å; R591-I594 PolarHBondContact O-N 2.83Å; R591-D595 IonicContact CZ-OD2 3.58Å; R591-D595 IonicContact NE-OD2 3.49Å; R591-D595 PolarHBondContact NE-OD2 2.92Å; R591-D595 IonicContact NH2-OD1 2.79Å; R591-D595 PolarHBondContact NH2-OD1 3.4Å; R591-D595 IonicContact NH2-OD2 2.81Å; R591-D595 PolarHBondContact NH2-OD2 3.33Å; R591-D595 WeakPolarHBondContact O-CB 3.26Å; R591-D595 PolarHBondContact O-N 2.9Å; R591-D595 VanDerWaalsContact O-OD2 3.14Å
592	F	93.2	Very high	92.3	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-47	174.5	179	-90.1	0	0	0	111.7	L562 L563 M588 S589 S590 I594 D595 F596 Q602 T648	L562-F592 HydrophobicContact CB-CB 4.42Å; L562-F592 HydrophobicContact CD2-CB 3.71Å; L562-F592 HydrophobicContact CD2-CD1 4.41Å; L562-F592 HydrophobicContact CD2-CD2 4.08Å; L562-F592 HydrophobicContact CD2-CG 3.82Å; L563-F592 HydrophobicContact CD1-CE2 4.41Å; L563-F592 HydrophobicContact CD2-CD2 4.29Å; L563-F592 HydrophobicContact CD2-CE2 3.94Å; L563-F592 HydrophobicContact CG-CE2 4.4Å; M588-F592 PolarHBondContact O-N 2.89Å; S589-F592 WeakPolarHBondContact O-CA 3.47Å; S589-F592 WeakPolarHBondContact O-CB 3.4Å; S589-F592 PolarHBondContact O-N 2.91Å; S590-F592 VanDerWaalsContact C-N 3.35Å; S590-F592 PolarHBondContact O-N 3.3Å; F592-I594 VanDerWaalsContact C-N 3.33Å; F592-I594 PolarHBondContact O-N 3.39Å; F592-D595 PolarHBondContact O-N 2.93Å; F592-F596 AromaticContact CD2-CD2 3.6Å; F592-F596 HydrophobicContact CD2-CD2 3.6Å; F592-F596 HydrophobicContact CD2-CE2 4.08Å; F592-F596 AromaticContact CE2-CD2 3.67Å; F592-F596 HydrophobicContact CE2-CD2 3.67Å; F592-F596 HydrophobicContact CE2-CE2 4.24Å; F592-F596 HydrophobicContact CG-CD2 4.21Å; F592-F596 HydrophobicContact CZ-CD2 4.35Å; F592-F596 WeakPolarHBondContact O-CB 3.46Å; F592-F596 PolarHBondContact O-N 3.14Å; F592-Q602 HydrophobicContact CE1-CB 4.44Å; F592-Q602 HydrophobicContact CE1-CG 3.79Å; F592-Q602 HydrophobicContact CZ-CB 4.22Å; F592-Q602 HydrophobicContact CZ-CG 3.94Å; F592-T648 HydrophobicContact CE1-CG2 4.1Å
593	F	91.8	Very high	92.6	Very high	2 Å²	2	48 Å²	48	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-31.3	176.4	-69.8	-82	0	0	0	113.3	S589 S590 Q597 V633 I638 M641 E644 H645 T648	S589-F593 WeakPolarHBondContact O-CD2 3.39Å; S589-F593 PolarHBondContact O-N 2.92Å; S589-F593 VanDerWaalsContact O-N 3.14Å; S590-F593 PolarHBondContact O-N 3.3Å; F593-Q597 WeakPolarHBondContact O-CA 3.34Å; F593-Q597 WeakPolarHBondContact O-CG 3.11Å; F593-V633 HydrophobicContact CZ-CG1 4.41Å; F593-I638 HydrophobicContact CD2-CD1 3.28Å; F593-I638 HydrophobicContact CE2-CD1 3.49Å; F593-I638 VanDerWaalsContact CE2-CD1 3.49Å; F593-I638 HydrophobicContact CG-CD1 4.29Å; F593-M641 HydrophobicContact CB-CE 3.97Å; F593-M641 HydrophobicContact CB-SD 4.19Å; F593-M641 HydrophobicContact CD1-CE 4.45Å; F593-E644 HydrophobicContact CD1-CB 4.38Å; F593-E644 HydrophobicContact CE1-CB 4.35Å; F593-H645 HydrophobicContact CZ-CB 4.38Å; F593-T648 HydrophobicContact CE1-CG2 4.4Å; F593-T648 VanDerWaalsContact CE1-OG1 3.23Å; F593-T648 WeakPolarHBondContact CE1-OG1 3.47Å; F593-T648 HydrophobicContact CZ-CG2 4.26Å
594	I	90.9	Very high	92.8	Very high	74 Å²	74	48.6 Å²	48.6	38%	0.379	25%	0.252	S	S	.	.	H	α-helix	trans	-73.1	-41.3	177	-67.1	162.9	0	0	0	112.1	S590 R591 F592 Q597	S590-I594 WeakPolarHBondContact O-CD1 3.48Å; S590-I594 VanDerWaalsContact O-CG1 3.29Å; S590-I594 WeakPolarHBondContact O-CG1 3.5Å; S590-I594 PolarHBondContact O-N 3.29Å; R591-I594 PolarHBondContact O-N 2.83Å; F592-I594 VanDerWaalsContact C-N 3.33Å; F592-I594 PolarHBondContact O-N 3.39Å; I594-Q597 WeakPolarHBondContact O-CG 3.41Å; I594-Q597 PolarHBondContact O-NE2 3.05Å
595	D	90.9	Very high	92.8	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-85.3	-18.9	-178.6	-67.6	-52.5	0	0	0	113.2	R558 G559 R591 F592	R558-D595 WeakPolarHBondContact CD-OD1 3.47Å; R558-D595 WeakPolarHBondContact CD-OD2 3.44Å; R558-D595 IonicContact CZ-OD1 3.73Å; R558-D595 IonicContact NE-OD1 3.98Å; R558-D595 IonicContact NH1-OD1 2.75Å; R558-D595 PolarHBondContact NH1-OD1 3.36Å; G559-D595 PolarHBondContact N-OD2 3.03Å; R591-D595 IonicContact CZ-OD2 3.58Å; R591-D595 IonicContact NE-OD2 3.49Å; R591-D595 PolarHBondContact NE-OD2 2.92Å; R591-D595 IonicContact NH2-OD1 2.79Å; R591-D595 PolarHBondContact NH2-OD1 3.4Å; R591-D595 IonicContact NH2-OD2 2.81Å; R591-D595 PolarHBondContact NH2-OD2 3.33Å; R591-D595 WeakPolarHBondContact O-CB 3.26Å; R591-D595 PolarHBondContact O-N 2.9Å; R591-D595 VanDerWaalsContact O-OD2 3.14Å; F592-D595 PolarHBondContact O-N 2.93Å
596	F	91.5	Very high	92.9	Very high	36 Å²	36	50.2 Å²	50.2	16%	0.158	26%	0.258	C	S	.	.	S	Bend	trans	-135.1	80	176.8	-50.4	-66.1	0	0	0	110.1	F592 Q602 K605	F592-F596 AromaticContact CD2-CD2 3.6Å; F592-F596 HydrophobicContact CD2-CD2 3.6Å; F592-F596 HydrophobicContact CD2-CE2 4.08Å; F592-F596 AromaticContact CE2-CD2 3.67Å; F592-F596 HydrophobicContact CE2-CD2 3.67Å; F592-F596 HydrophobicContact CE2-CE2 4.24Å; F592-F596 HydrophobicContact CG-CD2 4.21Å; F592-F596 HydrophobicContact CZ-CD2 4.35Å; F592-F596 WeakPolarHBondContact O-CB 3.46Å; F592-F596 PolarHBondContact O-N 3.14Å; F596-Q602 HydrophobicContact CB-CG 3.77Å; F596-Q602 VanDerWaalsContact O-CG 3.29Å; F596-Q602 WeakPolarHBondContact O-CG 3.24Å; F596-Q602 PolarHBondContact O-NE2 3.08Å; F596-K605 HydrophobicContact CD1-CB 4.41Å; F596-K605 HydrophobicContact CD1-CG 4.29Å; F596-K605 HydrophobicContact CD2-CG 4.41Å; F596-K605 HydrophobicContact CE1-CB 4.43Å; F596-K605 HydrophobicContact CE1-CD 3.85Å; F596-K605 HydrophobicContact CE1-CG 3.93Å; F596-K605 HydrophobicContact CE2-CD 4.44Å; F596-K605 HydrophobicContact CE2-CG 4.03Å; F596-K605 HydrophobicContact CZ-CD 3.76Å; F596-K605 HydrophobicContact CZ-CG 3.8Å
597	Q	90.6	Very high	93.1	Very high	142 Å²	142	48.7 Å²	48.7	66%	0.664	25%	0.253	S	S	*	.			trans	-75.4	-38.9	-167.5	-66.5	169.3	27.9	0	0	113.2	F593 I594	F593-Q597 WeakPolarHBondContact O-CA 3.34Å; F593-Q597 WeakPolarHBondContact O-CG 3.11Å; I594-Q597 WeakPolarHBondContact O-CG 3.41Å; I594-Q597 PolarHBondContact O-NE2 3.05Å
598	D	91	Very high	93	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-95.7	151	-178.3	77.4	-72.7	0	0	0	112.8	S600 S601 Q602	D598-S600 PolarHBondContact O-N 2.98Å; D598-S600 VanDerWaalsContact O-N 3.16Å; D598-S600 VanDerWaalsContact OD2-CA 3.28Å; D598-S600 WeakPolarHBondContact OD2-CA 2.81Å; D598-S600 WeakPolarHBondContact OD2-CB 3.48Å; D598-S600 PolarHBondContact OD2-N 3.32Å; D598-S601 PolarHBondContact O-N 2.9Å; D598-S601 PolarHBondContact O-OG 3.32Å; D598-S601 WeakPolarHBondContact OD1-CB 3.16Å; D598-S601 PolarHBondContact OD1-OG 3.45Å; D598-S601 PolarHBondContact OD2-N 3.16Å; D598-Q602 VanDerWaalsContact O-CG 3.32Å; D598-Q602 WeakPolarHBondContact O-CG 3.42Å; D598-Q602 PolarHBondContact O-N 3.42Å; D598-Q602 VanDerWaalsContact O-N 3.1Å
599	L	93.4	Very high	92.9	Very high	63 Å²	63	48 Å²	48	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-21.5	-177.8	-163	66.2	0	0	0	113.5	K603 Q647 L651	L599-K603 VanDerWaalsContact O-CB 3.31Å; L599-K603 WeakPolarHBondContact O-CB 3.16Å; L599-K603 PolarHBondContact O-N 3.36Å; L599-Q647 HydrophobicContact CD1-CB 3.93Å; L599-Q647 HydrophobicContact CD2-CB 4.15Å; L599-L651 HydrophobicContact CD1-CB 3.95Å; L599-L651 HydrophobicContact CD1-CD2 3.72Å; L599-L651 HydrophobicContact CD1-CG 4.46Å; L599-L651 HydrophobicContact CG-CD2 4.24Å
600	S	95.2	Very high	93	Very high	85 Å²	85	48.7 Å²	48.7	59%	0.594	26%	0.263	S	S	*	.	H	α-helix	trans	-79.9	-45.3	-179.7	-47.7	0	0	0	0	111.2	D598 Q602 K603 V604	D598-S600 PolarHBondContact O-N 2.98Å; D598-S600 VanDerWaalsContact O-N 3.16Å; D598-S600 VanDerWaalsContact OD2-CA 3.28Å; D598-S600 WeakPolarHBondContact OD2-CA 2.81Å; D598-S600 WeakPolarHBondContact OD2-CB 3.48Å; D598-S600 PolarHBondContact OD2-N 3.32Å; S600-Q602 VanDerWaalsContact C-N 3.33Å; S600-K603 PolarHBondContact O-N 3.47Å; S600-V604 WeakPolarHBondContact O-CG2 3.38Å; S600-V604 PolarHBondContact O-N 3.05Å
601	S	94.1	Very high	92.8	Very high	40 Å²	40	48.6 Å²	48.6	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-38.5	172.9	69	0	0	0	0	111.4	D598 V604 K605	D598-S601 PolarHBondContact O-N 2.9Å; D598-S601 PolarHBondContact O-OG 3.32Å; D598-S601 WeakPolarHBondContact OD1-CB 3.16Å; D598-S601 PolarHBondContact OD1-OG 3.45Å; D598-S601 PolarHBondContact OD2-N 3.16Å; S601-V604 PolarHBondContact O-N 3.34Å; S601-K605 WeakPolarHBondContact O-CB 3.27Å; S601-K605 PolarHBondContact O-N 2.95Å
602	Q	94.9	Very high	92.4	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-49.4	170.2	-69.8	176.4	16.7	0	0	111.6	F592 F596 D598 S600 K605 L606 T648 L651	F592-Q602 HydrophobicContact CE1-CB 4.44Å; F592-Q602 HydrophobicContact CE1-CG 3.79Å; F592-Q602 HydrophobicContact CZ-CB 4.22Å; F592-Q602 HydrophobicContact CZ-CG 3.94Å; F596-Q602 HydrophobicContact CB-CG 3.77Å; F596-Q602 VanDerWaalsContact O-CG 3.29Å; F596-Q602 WeakPolarHBondContact O-CG 3.24Å; F596-Q602 PolarHBondContact O-NE2 3.08Å; D598-Q602 VanDerWaalsContact O-CG 3.32Å; D598-Q602 WeakPolarHBondContact O-CG 3.42Å; D598-Q602 PolarHBondContact O-N 3.42Å; D598-Q602 VanDerWaalsContact O-N 3.1Å; S600-Q602 VanDerWaalsContact C-N 3.33Å; Q602-K605 PolarHBondContact O-N 2.85Å; Q602-L606 VanDerWaalsContact O-CG 3.31Å; Q602-L606 WeakPolarHBondContact O-CG 3.43Å; Q602-L606 PolarHBondContact O-N 3.48Å; Q602-T648 PolarHBondContact OE1-OG1 3.49Å; Q602-L651 HydrophobicContact CB-CD2 4.05Å
603	K	96.6	Very high	92.1	Very high	66 Å²	66	52.9 Å²	52.9	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-53.8	177.9	176.7	176.9	174.4	-175.3	0	111.6	L599 S600 K605 L606 E607 L651	L599-K603 VanDerWaalsContact O-CB 3.31Å; L599-K603 WeakPolarHBondContact O-CB 3.16Å; L599-K603 PolarHBondContact O-N 3.36Å; S600-K603 PolarHBondContact O-N 3.47Å; K603-K605 PolarHBondContact O-N 3.03Å; K603-L606 PolarHBondContact O-N 2.81Å; K603-L606 VanDerWaalsContact O-N 3.14Å; K603-E607 WeakPolarHBondContact CE-OE1 3.25Å; K603-E607 WeakPolarHBondContact CE-OE2 3.48Å; K603-E607 HydrophobicContact CG-CG 4.36Å; K603-E607 IonicContact NZ-OE1 3.94Å; K603-E607 PolarHBondContact NZ-OE1 2.83Å; K603-E607 WeakPolarHBondContact O-CG 3.41Å; K603-E607 PolarHBondContact O-N 3.08Å; K603-L651 HydrophobicContact CB-CD1 3.83Å; K603-L651 HydrophobicContact CB-CD2 3.94Å; K603-L651 HydrophobicContact CD-CD1 4.21Å; K603-L651 HydrophobicContact CG-CD1 3.91Å
604	V	95	Very high	92	Very high	94 Å²	94	53.5 Å²	53.5	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-58.1	-39.3	179	170.3	0	0	0	0	110.8	S600 S601 A608	S600-V604 WeakPolarHBondContact O-CG2 3.38Å; S600-V604 PolarHBondContact O-N 3.05Å; S601-V604 PolarHBondContact O-N 3.34Å; V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.77Å
605	K	94.1	Very high	91.6	Very high	80 Å²	80	51.9 Å²	51.9	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-40.9	177.6	-173.6	66	179.3	-175.2	0	112.4	L563 F596 S601 Q602 K603 F609	L563-K605 HydrophobicContact CD1-CG 3.97Å; F596-K605 HydrophobicContact CD1-CB 4.41Å; F596-K605 HydrophobicContact CD1-CG 4.29Å; F596-K605 HydrophobicContact CD2-CG 4.41Å; F596-K605 HydrophobicContact CE1-CB 4.43Å; F596-K605 HydrophobicContact CE1-CD 3.85Å; F596-K605 HydrophobicContact CE1-CG 3.93Å; F596-K605 HydrophobicContact CE2-CD 4.44Å; F596-K605 HydrophobicContact CE2-CG 4.03Å; F596-K605 HydrophobicContact CZ-CD 3.76Å; F596-K605 HydrophobicContact CZ-CG 3.8Å; S601-K605 WeakPolarHBondContact O-CB 3.27Å; S601-K605 PolarHBondContact O-N 2.95Å; Q602-K605 PolarHBondContact O-N 2.85Å; K603-K605 PolarHBondContact O-N 3.03Å; K605-F609 VanDerWaalsContact O-CB 3.25Å; K605-F609 WeakPolarHBondContact O-CB 3.28Å; K605-F609 PolarHBondContact O-N 3.44Å
606	L	96	Very high	91	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70	-44.5	177.3	-69.3	177.5	0	0	0	112.1	L563 Q602 K603 F609 L610 L629 L651 I652 L655	L563-L606 HydrophobicContact CD1-CD2 4.48Å; L563-L606 HydrophobicContact CD2-CD2 3.6Å; Q602-L606 VanDerWaalsContact O-CG 3.31Å; Q602-L606 WeakPolarHBondContact O-CG 3.43Å; Q602-L606 PolarHBondContact O-N 3.48Å; K603-L606 PolarHBondContact O-N 2.81Å; K603-L606 VanDerWaalsContact O-N 3.14Å; L606-F609 PolarHBondContact O-N 2.82Å; L606-L610 WeakPolarHBondContact O-CB 3.23Å; L606-L610 WeakPolarHBondContact O-CG 3.37Å; L606-L610 PolarHBondContact O-N 2.94Å; L606-L629 HydrophobicContact CD1-CD2 4.46Å; L606-L629 HydrophobicContact CD2-CD2 3.53Å; L606-L651 HydrophobicContact CD1-CD2 4.18Å; L606-L651 HydrophobicContact CD1-CG 4.4Å; L606-I652 HydrophobicContact CD1-CG1 4.03Å; L606-L655 HydrophobicContact CB-CD1 4.14Å; L606-L655 HydrophobicContact CD1-CD1 4.19Å
607	E	94	Very high	90.6	Very high	54 Å²	54	59.8 Å²	59.8	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-45.7	176.9	-71.1	176.9	149.9	0	0	111.1	K603 F609 L610 A611 L655	K603-E607 WeakPolarHBondContact CE-OE1 3.25Å; K603-E607 WeakPolarHBondContact CE-OE2 3.48Å; K603-E607 HydrophobicContact CG-CG 4.36Å; K603-E607 IonicContact NZ-OE1 3.94Å; K603-E607 PolarHBondContact NZ-OE1 2.83Å; K603-E607 WeakPolarHBondContact O-CG 3.41Å; K603-E607 PolarHBondContact O-N 3.08Å; E607-F609 PolarHBondContact O-N 3.14Å; E607-L610 PolarHBondContact O-N 2.59Å; E607-A611 WeakPolarHBondContact O-CB 3.31Å; E607-A611 PolarHBondContact O-N 3.03Å; E607-L655 HydrophobicContact CG-CD2 4.19Å
608	A	90.4	Very high	90.5	Very high	43 Å²	43	56 Å²	56	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-35.6	174.8	0	0	0	0	0	112.9	V604 N612	V604-A608 WeakPolarHBondContact O-CB 3.4Å; V604-A608 PolarHBondContact O-N 2.77Å; A608-N612 WeakPolarHBondContact O-CB 3.43Å; A608-N612 PolarHBondContact O-N 3.14Å; A608-N612 PolarHBondContact O-ND2 2.92Å
609	F	92.4	Very high	90.5	Very high	17 Å²	17	52.7 Å²	52.7	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-50	173.8	-170.2	-85.7	0	0	0	110.6	L563 R567 K605 L606 E607 A611 N612 H613 F614 Y625	L563-F609 HydrophobicContact CB-CD1 4.42Å; L563-F609 HydrophobicContact CB-CD2 3.71Å; L563-F609 HydrophobicContact CB-CE1 4.26Å; L563-F609 HydrophobicContact CB-CE2 3.52Å; L563-F609 HydrophobicContact CB-CG 4.16Å; L563-F609 HydrophobicContact CB-CZ 3.82Å; L563-F609 HydrophobicContact CD1-CB 4.22Å; L563-F609 HydrophobicContact CD1-CD2 3.88Å; L563-F609 HydrophobicContact CD1-CG 4.12Å; L563-F609 HydrophobicContact CG-CD2 4.46Å; L563-F609 WeakPolarHBondContact O-CZ 3.22Å; R567-F609 HydrophobicContact CB-CE1 4.39Å; R567-F609 HydrophobicContact CB-CZ 4.19Å; K605-F609 VanDerWaalsContact O-CB 3.25Å; K605-F609 WeakPolarHBondContact O-CB 3.28Å; K605-F609 PolarHBondContact O-N 3.44Å; L606-F609 PolarHBondContact O-N 2.82Å; E607-F609 PolarHBondContact O-N 3.14Å; F609-A611 VanDerWaalsContact C-N 3.3Å; F609-A611 PolarHBondContact O-N 3.25Å; F609-N612 PolarHBondContact O-N 3.16Å; F609-H613 HydrophobicContact CD1-CB 4.11Å; F609-H613 AromaticContact CD1-ND1 4Å; F609-H613 AromaticContact CD2-CE1 3.5Å; F609-H613 VanDerWaalsContact CD2-CE1 3.5Å; F609-H613 WeakPolarHBondContact CD2-CE1 3.29Å; F609-H613 AromaticContact CD2-ND1 3.55Å; F609-H613 AromaticContact CD2-NE2 3.96Å; F609-H613 HydrophobicContact CE1-CB 3.86Å; F609-H613 AromaticContact CE1-CG 3.75Å; F609-H613 AromaticContact CE2-CD2 3.67Å; F609-H613 AromaticContact CE2-CE1 3.49Å; F609-H613 VanDerWaalsContact CE2-CE1 3.49Å; F609-H613 WeakPolarHBondContact CE2-CE1 3.27Å; F609-H613 AromaticContact CE2-CG 3.83Å; F609-H613 AromaticContact CE2-ND1 3.71Å; F609-H613 AromaticContact CE2-NE2 3.45Å; F609-H613 WeakPolarHBondContact CE2-NE2 3.36Å; F609-H613 AromaticContact CG-ND1 3.71Å; F609-H613 HydrophobicContact CZ-CB 4.24Å; F609-H613 AromaticContact CZ-CD2 3.56Å; F609-H613 AromaticContact CZ-CG 3.66Å; F609-H613 AromaticContact CZ-NE2 3.86Å; F609-H613 WeakPolarHBondContact O-CB 3.37Å; F609-H613 PolarHBondContact O-N 3.34Å; F609-H613 PolarHBondContact O-ND1 2.84Å; F609-F614 HydrophobicContact CE1-CE2 4.31Å; F609-Y625 HydrophobicContact CD1-CE1 4.07Å; F609-Y625 HydrophobicContact CD1-CE2 4.21Å; F609-Y625 AromaticContact CD1-CZ 3.65Å; F609-Y625 WeakPolarHBondContact CD1-OH 3.3Å; F609-Y625 HydrophobicContact CE1-CD2 4.44Å; F609-Y625 HydrophobicContact CE1-CE1 4.25Å; F609-Y625 AromaticContact CE1-CE2 3.56Å; F609-Y625 HydrophobicContact CE1-CE2 3.56Å; F609-Y625 AromaticContact CE1-CZ 3.46Å; F609-Y625 VanDerWaalsContact CE1-CZ 3.46Å; F609-Y625 WeakPolarHBondContact CE1-OH 3.37Å; F609-Y625 HydrophobicContact CZ-CE2 4.35Å
610	L	93.1	Very high	90.4	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-36.8	178.4	-75.2	173.1	0	0	0	113.3	L606 E607 F614 K622 Y625 L626	L606-L610 WeakPolarHBondContact O-CB 3.23Å; L606-L610 WeakPolarHBondContact O-CG 3.37Å; L606-L610 PolarHBondContact O-N 2.94Å; E607-L610 PolarHBondContact O-N 2.59Å; L610-F614 HydrophobicContact CD2-CD2 4.16Å; L610-F614 HydrophobicContact CD2-CE2 4.25Å; L610-K622 HydrophobicContact CD2-CB 4.07Å; L610-K622 HydrophobicContact CD2-CG 4.12Å; L610-K622 WeakPolarHBondContact O-CE 3.3Å; L610-Y625 HydrophobicContact CD2-CD1 3.67Å; L610-Y625 HydrophobicContact CD2-CE1 4.14Å; L610-L626 HydrophobicContact CD1-CD1 4.22Å; L610-L626 HydrophobicContact CD1-CD2 4.22Å; L610-L626 HydrophobicContact CD1-CG 4.4Å; L610-L626 HydrophobicContact CD2-CG 4.48Å
611	A	87.3	Confident	90.3	Very high	43 Å²	43	49.6 Å²	49.6	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-71	-43.5	176.6	0	0	0	0	0	112.4	E607 F609	E607-A611 WeakPolarHBondContact O-CB 3.31Å; E607-A611 PolarHBondContact O-N 3.03Å; F609-A611 VanDerWaalsContact C-N 3.3Å; F609-A611 PolarHBondContact O-N 3.25Å
612	N	84.2	Confident	90.3	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-81.3	-19.8	-176	-64.5	-15.3	0	0	0	113.9	A608 F609	A608-N612 WeakPolarHBondContact O-CB 3.43Å; A608-N612 PolarHBondContact O-N 3.14Å; A608-N612 PolarHBondContact O-ND2 2.92Å; F609-N612 PolarHBondContact O-N 3.16Å
613	H	86.8	Confident	90.4	Very high	46 Å²	46	49.3 Å²	49.3	21%	0.213	27%	0.267	C	S	.	.	H	α-helix	trans	-111.7	-4.3	-169.9	-68.6	74	0	0	0	115.4	R567 F609	R567-H613 VanDerWaalsContact NH1-CA 3.33Å; R567-H613 PolarHBondContact NH1-CD2 2.98Å; R567-H613 PolarHBondContact NH1-O 3.4Å; F609-H613 HydrophobicContact CD1-CB 4.11Å; F609-H613 AromaticContact CD1-ND1 4Å; F609-H613 AromaticContact CD2-CE1 3.5Å; F609-H613 VanDerWaalsContact CD2-CE1 3.5Å; F609-H613 WeakPolarHBondContact CD2-CE1 3.29Å; F609-H613 AromaticContact CD2-ND1 3.55Å; F609-H613 AromaticContact CD2-NE2 3.96Å; F609-H613 HydrophobicContact CE1-CB 3.86Å; F609-H613 AromaticContact CE1-CG 3.75Å; F609-H613 AromaticContact CE2-CD2 3.67Å; F609-H613 AromaticContact CE2-CE1 3.49Å; F609-H613 VanDerWaalsContact CE2-CE1 3.49Å; F609-H613 WeakPolarHBondContact CE2-CE1 3.27Å; F609-H613 AromaticContact CE2-CG 3.83Å; F609-H613 AromaticContact CE2-ND1 3.71Å; F609-H613 AromaticContact CE2-NE2 3.45Å; F609-H613 WeakPolarHBondContact CE2-NE2 3.36Å; F609-H613 AromaticContact CG-ND1 3.71Å; F609-H613 HydrophobicContact CZ-CB 4.24Å; F609-H613 AromaticContact CZ-CD2 3.56Å; F609-H613 AromaticContact CZ-CG 3.66Å; F609-H613 AromaticContact CZ-NE2 3.86Å; F609-H613 WeakPolarHBondContact O-CB 3.37Å; F609-H613 PolarHBondContact O-N 3.34Å; F609-H613 PolarHBondContact O-ND1 2.84Å
614	F	88.8	Confident	90.3	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	27%	0.272	C	S	.	.	S	Bend	trans	-150	130.6	-179.3	-59.3	-83.4	0	0	0	109.9	V570 F609 L610 E618 K622 Y625	V570-F614 HydrophobicContact CG1-CE1 4.26Å; F609-F614 HydrophobicContact CE1-CE2 4.31Å; L610-F614 HydrophobicContact CD2-CD2 4.16Å; L610-F614 HydrophobicContact CD2-CE2 4.25Å; F614-E618 WeakPolarHBondContact CA-OE2 3.28Å; F614-E618 HydrophobicContact CB-CB 4.33Å; F614-K622 HydrophobicContact CB-CD 4.13Å; F614-K622 HydrophobicContact CB-CG 3.6Å; F614-K622 HydrophobicContact CD2-CG 4.07Å; F614-K622 HydrophobicContact CG-CG 3.88Å; F614-K622 WeakPolarHBondContact O-CE 3.47Å; F614-K622 PolarHBondContact O-NZ 3.49Å; F614-Y625 HydrophobicContact CE2-CD1 4.16Å; F614-Y625 AromaticContact CE2-CD2 3.88Å; F614-Y625 HydrophobicContact CE2-CD2 3.88Å; F614-Y625 HydrophobicContact CE2-CE2 4.45Å; F614-Y625 AromaticContact CE2-CG 3.71Å; F614-Y625 HydrophobicContact CE2-CG 3.71Å; F614-Y625 AromaticContact CZ-CD2 3.65Å; F614-Y625 HydrophobicContact CZ-CD2 3.65Å; F614-Y625 HydrophobicContact CZ-CE2 4.49Å; F614-Y625 AromaticContact CZ-CG 3.7Å; F614-Y625 HydrophobicContact CZ-CG 3.7Å
615	A	83.3	Confident	90.4	Very high	40 Å²	40	45.1 Å²	45.1	33%	0.331	25%	0.245	S	C	.	.			trans	-62.9	161	-178.9	0	0	0	0	0	112.1	H617 E618 K622	A615-H617 VanDerWaalsContact C-N 3.27Å; A615-H617 PolarHBondContact O-N 3.29Å; A615-E618 HydrophobicContact CB-CG 4.16Å; A615-E618 PolarHBondContact N-OE2 2.82Å; A615-E618 WeakPolarHBondContact O-CB 3.45Å; A615-E618 PolarHBondContact O-N 2.99Å; A615-K622 VanDerWaalsContact O-CE 3.26Å; A615-K622 WeakPolarHBondContact O-CE 3.37Å; A615-K622 PolarHBondContact O-NZ 3.44Å
616	E	79.1	Confident	90.6	Very high	118 Å²	118	41.3 Å²	41.3	55%	0.551	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.4	-175.1	-65.9	-174.4	173.8	0	0	113.1	Y406 E618	Y406-E616 WeakPolarHBondContact CE1-OE1 3.43Å; E616-E618 VanDerWaalsContact C-N 3.32Å; E616-E618 PolarHBondContact O-N 3.13Å
617	H	82.9	Confident	90.7	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.606	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.4	179.1	60.4	-99.1	0	0	0	114.3	A615 I619	A615-H617 VanDerWaalsContact C-N 3.27Å; A615-H617 PolarHBondContact O-N 3.29Å; H617-I619 PolarHBondContact O-N 2.72Å
618	E	87.3	Confident	90.8	Very high	64 Å²	64	45 Å²	45	30%	0.299	24%	0.243	S	C	.	.			trans	-78.3	41.7	-179.8	-72.3	-166.1	82.5	0	0	113.5	F614 A615 E616 S620 S621 K622	F614-E618 WeakPolarHBondContact CA-OE2 3.28Å; F614-E618 HydrophobicContact CB-CB 4.33Å; A615-E618 HydrophobicContact CB-CG 4.16Å; A615-E618 PolarHBondContact N-OE2 2.82Å; A615-E618 WeakPolarHBondContact O-CB 3.45Å; A615-E618 PolarHBondContact O-N 2.99Å; E616-E618 VanDerWaalsContact C-N 3.32Å; E616-E618 PolarHBondContact O-N 3.13Å; E618-S620 PolarHBondContact O-N 3.31Å; E618-S621 WeakPolarHBondContact O-CB 3.1Å; E618-S621 PolarHBondContact O-N 2.71Å; E618-S621 PolarHBondContact OE1-OG 3.5Å; E618-K622 WeakPolarHBondContact O-CG 3.48Å; E618-K622 PolarHBondContact O-N 3.37Å
619	I	90.9	Very high	91.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-38.9	-175.4	-55.1	164.5	0	0	0	110.4	H617 K622 I623 Y662 Y663 Y667	H617-I619 PolarHBondContact O-N 2.72Å; I619-K622 PolarHBondContact O-N 2.86Å; I619-I623 HydrophobicContact CG2-CD1 4.01Å; I619-I623 WeakPolarHBondContact O-CB 3.37Å; I619-I623 VanDerWaalsContact O-CG1 3.29Å; I619-I623 WeakPolarHBondContact O-CG1 3.31Å; I619-I623 PolarHBondContact O-N 3.38Å; I619-Y662 HydrophobicContact CD1-CD1 3.78Å; I619-Y662 HydrophobicContact CD1-CE1 3.55Å; I619-Y662 HydrophobicContact CG1-CD1 4.31Å; I619-Y662 HydrophobicContact CG1-CE1 4.23Å; I619-Y662 HydrophobicContact CG2-CD1 4.44Å; I619-Y663 HydrophobicContact CB-CD2 4.16Å; I619-Y663 HydrophobicContact CG2-CD2 3.93Å; I619-Y663 HydrophobicContact CG2-CG 4.39Å; I619-Y667 HydrophobicContact CD1-CE2 4.15Å
620	S	91.8	Very high	91.3	Very high	51 Å²	51	44.5 Å²	44.5	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-41.1	173.9	-53.3	0	0	0	0	113.2	E618 I623 N624 Y663	E618-S620 PolarHBondContact O-N 3.31Å; S620-I623 PolarHBondContact O-N 3.04Å; S620-N624 PolarHBondContact O-N 3.48Å; S620-N624 PolarHBondContact O-ND2 3Å; S620-Y663 WeakPolarHBondContact OG-CE2 3.44Å
621	S	92.5	Very high	91.4	Very high	31 Å²	31	50.6 Å²	50.6	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-44.2	176.6	-46.7	0	0	0	0	110.5	E618 I623 N624 Y625	E618-S621 WeakPolarHBondContact O-CB 3.1Å; E618-S621 PolarHBondContact O-N 2.71Å; E618-S621 PolarHBondContact OE1-OG 3.5Å; S621-I623 PolarHBondContact O-N 3.42Å; S621-N624 PolarHBondContact O-N 2.89Å; S621-Y625 WeakPolarHBondContact O-CB 3.39Å; S621-Y625 PolarHBondContact O-N 3.1Å
622	K	95.2	Very high	91.7	Very high	17 Å²	17	48.9 Å²	48.9	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-39.9	176.4	-65	174.1	178.3	171.7	0	112.3	L610 F614 A615 E618 I619 L626 L659	L610-K622 HydrophobicContact CD2-CB 4.07Å; L610-K622 HydrophobicContact CD2-CG 4.12Å; L610-K622 WeakPolarHBondContact O-CE 3.3Å; F614-K622 HydrophobicContact CB-CD 4.13Å; F614-K622 HydrophobicContact CB-CG 3.6Å; F614-K622 HydrophobicContact CD2-CG 4.07Å; F614-K622 HydrophobicContact CG-CG 3.88Å; F614-K622 WeakPolarHBondContact O-CE 3.47Å; F614-K622 PolarHBondContact O-NZ 3.49Å; A615-K622 VanDerWaalsContact O-CE 3.26Å; A615-K622 WeakPolarHBondContact O-CE 3.37Å; A615-K622 PolarHBondContact O-NZ 3.44Å; E618-K622 WeakPolarHBondContact O-CG 3.48Å; E618-K622 PolarHBondContact O-N 3.37Å; I619-K622 PolarHBondContact O-N 2.86Å; K622-L626 PolarHBondContact O-N 2.87Å; K622-L626 VanDerWaalsContact O-N 3.09Å; K622-L659 HydrophobicContact CB-CD1 3.65Å
623	I	95.9	Very high	92.1	Very high	19 Å²	19	45 Å²	45	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-49.4	174	-73.7	167	0	0	0	111.1	I619 S620 S621 Y625 L626 R627 L656 L659 I660 Y663	I619-I623 HydrophobicContact CG2-CD1 4.01Å; I619-I623 WeakPolarHBondContact O-CB 3.37Å; I619-I623 VanDerWaalsContact O-CG1 3.29Å; I619-I623 WeakPolarHBondContact O-CG1 3.31Å; I619-I623 PolarHBondContact O-N 3.38Å; S620-I623 PolarHBondContact O-N 3.04Å; S621-I623 PolarHBondContact O-N 3.42Å; I623-Y625 VanDerWaalsContact C-N 3.31Å; I623-Y625 PolarHBondContact O-N 3.43Å; I623-L626 PolarHBondContact O-N 2.94Å; I623-R627 WeakPolarHBondContact O-CG 3.34Å; I623-R627 PolarHBondContact O-N 2.92Å; I623-L656 HydrophobicContact CB-CD1 4.44Å; I623-L656 HydrophobicContact CG2-CD1 3.92Å; I623-L659 HydrophobicContact CD1-CB 4.4Å; I623-L659 HydrophobicContact CG1-CB 3.77Å; I623-I660 HydrophobicContact CD1-CG1 3.98Å; I623-I660 HydrophobicContact CG1-CG1 4.13Å; I623-I660 HydrophobicContact CG2-CG1 4.12Å; I623-Y663 HydrophobicContact CD1-CD2 4.39Å; I623-Y663 HydrophobicContact CD1-CG 4.17Å
624	N	95.7	Very high	92.4	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-36.5	179.1	-75.1	-26	0	0	0	112.2	S620 S621 R627 I628	S620-N624 PolarHBondContact O-N 3.48Å; S620-N624 PolarHBondContact O-ND2 3Å; S621-N624 PolarHBondContact O-N 2.89Å; N624-R627 PolarHBondContact O-N 3.22Å; N624-R627 PolarHBondContact OD1-NH1 3.47Å; N624-I628 PolarHBondContact O-N 3.24Å
625	Y	97.6	Very high	92.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-50.2	172.9	175.6	-94.5	0	0	0	112.6	L563 C566 R567 V570 F609 L610 F614 S621 I623 R627 I628 L629	L563-Y625 VanDerWaalsContact CA-OH 3.3Å; L563-Y625 WeakPolarHBondContact CA-OH 3.13Å; L563-Y625 VanDerWaalsContact CB-OH 3.28Å; L563-Y625 WeakPolarHBondContact CB-OH 3.5Å; L563-Y625 WeakPolarHBondContact CD2-OH 3.3Å; L563-Y625 WeakPolarHBondContact O-CE2 3.31Å; L563-Y625 PolarHBondContact O-OH 3.09Å; C566-Y625 HydrophobicContact CB-CD2 4.06Å; C566-Y625 HydrophobicContact CB-CE2 3.54Å; R567-Y625 HydrophobicContact CB-CE2 4.3Å; V570-Y625 VanDerWaalsContact CG2-CA 3.49Å; V570-Y625 HydrophobicContact CG2-CD2 4.16Å; F609-Y625 HydrophobicContact CD1-CE1 4.07Å; F609-Y625 HydrophobicContact CD1-CE2 4.21Å; F609-Y625 AromaticContact CD1-CZ 3.65Å; F609-Y625 WeakPolarHBondContact CD1-OH 3.3Å; F609-Y625 HydrophobicContact CE1-CD2 4.44Å; F609-Y625 HydrophobicContact CE1-CE1 4.25Å; F609-Y625 AromaticContact CE1-CE2 3.56Å; F609-Y625 HydrophobicContact CE1-CE2 3.56Å; F609-Y625 AromaticContact CE1-CZ 3.46Å; F609-Y625 VanDerWaalsContact CE1-CZ 3.46Å; F609-Y625 WeakPolarHBondContact CE1-OH 3.37Å; F609-Y625 HydrophobicContact CZ-CE2 4.35Å; L610-Y625 HydrophobicContact CD2-CD1 3.67Å; L610-Y625 HydrophobicContact CD2-CE1 4.14Å; F614-Y625 HydrophobicContact CE2-CD1 4.16Å; F614-Y625 AromaticContact CE2-CD2 3.88Å; F614-Y625 HydrophobicContact CE2-CD2 3.88Å; F614-Y625 HydrophobicContact CE2-CE2 4.45Å; F614-Y625 AromaticContact CE2-CG 3.71Å; F614-Y625 HydrophobicContact CE2-CG 3.71Å; F614-Y625 AromaticContact CZ-CD2 3.65Å; F614-Y625 HydrophobicContact CZ-CD2 3.65Å; F614-Y625 HydrophobicContact CZ-CE2 4.49Å; F614-Y625 AromaticContact CZ-CG 3.7Å; F614-Y625 HydrophobicContact CZ-CG 3.7Å; S621-Y625 WeakPolarHBondContact O-CB 3.39Å; S621-Y625 PolarHBondContact O-N 3.1Å; I623-Y625 VanDerWaalsContact C-N 3.31Å; I623-Y625 PolarHBondContact O-N 3.43Å; Y625-R627 VanDerWaalsContact C-N 3.3Å; Y625-R627 PolarHBondContact O-N 2.86Å; Y625-I628 PolarHBondContact O-N 3.39Å; Y625-L629 HydrophobicContact CE1-CD2 4.19Å; Y625-L629 WeakPolarHBondContact O-CB 3.44Å; Y625-L629 PolarHBondContact O-N 2.87Å
626	L	97.9	Very high	92.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-30.6	178.5	-70.2	-177.1	0	0	0	112.8	L610 K622 I623 L629 Y630 I652 L655 L656 L659	L610-L626 HydrophobicContact CD1-CD1 4.22Å; L610-L626 HydrophobicContact CD1-CD2 4.22Å; L610-L626 HydrophobicContact CD1-CG 4.4Å; L610-L626 HydrophobicContact CD2-CG 4.48Å; K622-L626 PolarHBondContact O-N 2.87Å; K622-L626 VanDerWaalsContact O-N 3.09Å; I623-L626 PolarHBondContact O-N 2.94Å; L626-L629 HydrophobicContact CD2-CD2 4.28Å; L626-Y630 VanDerWaalsContact O-CB 3.31Å; L626-Y630 WeakPolarHBondContact O-CB 3.12Å; L626-Y630 PolarHBondContact O-N 3.44Å; L626-I652 HydrophobicContact CB-CG2 4.36Å; L626-I652 HydrophobicContact CD2-CG2 4.35Å; L626-I652 WeakPolarHBondContact O-CG2 3.35Å; L626-L655 HydrophobicContact CD1-CB 3.63Å; L626-L656 HydrophobicContact CB-CB 4.23Å; L626-L656 HydrophobicContact CB-CD1 4.17Å; L626-L656 HydrophobicContact CD1-CB 4.27Å; L626-L659 HydrophobicContact CD1-CD1 3.84Å
627	R	96.8	Very high	91.6	Very high	93 Å²	93	41.4 Å²	41.4	35%	0.351	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-48.2	172.4	-71.8	175.2	66.4	-152.3	0.9	112	I623 N624 Y625 Y630 E631 L656	I623-R627 WeakPolarHBondContact O-CG 3.34Å; I623-R627 PolarHBondContact O-N 2.92Å; N624-R627 PolarHBondContact O-N 3.22Å; N624-R627 PolarHBondContact OD1-NH1 3.47Å; Y625-R627 VanDerWaalsContact C-N 3.3Å; Y625-R627 PolarHBondContact O-N 2.86Å; R627-Y630 PolarHBondContact O-N 3.45Å; R627-E631 WeakPolarHBondContact O-CB 3.24Å; R627-E631 PolarHBondContact O-N 2.98Å; R627-L656 HydrophobicContact CG-CD1 3.86Å; R627-L656 HydrophobicContact CG-CD2 3.84Å
628	I	97	Very high	90.8	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.205	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-42.9	177.4	-73.2	170.5	0	0	0	110.6	C566 L569 V570 N624 Y625 Y630 E631 V632	C566-I628 HydrophobicContact CB-CG2 4.18Å; L569-I628 HydrophobicContact CB-CD1 4.17Å; L569-I628 HydrophobicContact CB-CG2 4.02Å; L569-I628 HydrophobicContact CD1-CG2 3.61Å; L569-I628 HydrophobicContact CG-CG2 4.47Å; V570-I628 HydrophobicContact CG2-CD1 3.81Å; N624-I628 PolarHBondContact O-N 3.24Å; Y625-I628 PolarHBondContact O-N 3.39Å; I628-Y630 VanDerWaalsContact C-N 3.35Å; I628-Y630 PolarHBondContact O-N 2.68Å; I628-E631 PolarHBondContact O-N 2.89Å; I628-V632 HydrophobicContact CG2-CG2 4.3Å; I628-V632 WeakPolarHBondContact O-CG2 3.34Å; I628-V632 PolarHBondContact O-N 2.81Å
629	L	96.9	Very high	89.4	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.2	-177.7	66.8	0	0	0	112	L562 L563 L606 Y625 L626 V633 I652	L562-L629 HydrophobicContact CD2-CD1 4.05Å; L562-L629 HydrophobicContact CG-CD1 4.06Å; L563-L629 HydrophobicContact CD2-CD1 4.04Å; L563-L629 HydrophobicContact CD2-CD2 4.28Å; L606-L629 HydrophobicContact CD1-CD2 4.46Å; L606-L629 HydrophobicContact CD2-CD2 3.53Å; Y625-L629 HydrophobicContact CE1-CD2 4.19Å; Y625-L629 WeakPolarHBondContact O-CB 3.44Å; Y625-L629 PolarHBondContact O-N 2.87Å; L626-L629 HydrophobicContact CD2-CD2 4.28Å; L629-V633 HydrophobicContact CD1-CG2 4.15Å; L629-V633 HydrophobicContact CG-CG2 4.48Å; L629-V633 WeakPolarHBondContact O-CB 3.35Å; L629-V633 VanDerWaalsContact O-CG2 3.24Å; L629-V633 WeakPolarHBondContact O-CG2 3.43Å; L629-V633 PolarHBondContact O-N 2.81Å; L629-I652 HydrophobicContact CD2-CD1 4.07Å; L629-I652 HydrophobicContact CD2-CG1 4.16Å; L629-I652 HydrophobicContact CG-CD1 3.98Å
630	Y	96.4	Very high	87.8	Confident	46 Å²	46	45.8 Å²	45.8	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-44.5	174.3	-172.6	-80.4	0	0	0	111.5	L36 L626 R627 I628 S634 L649 I652	L36-Y630 HydrophobicContact CD2-CE2 4.2Å; L626-Y630 VanDerWaalsContact O-CB 3.31Å; L626-Y630 WeakPolarHBondContact O-CB 3.12Å; L626-Y630 PolarHBondContact O-N 3.44Å; R627-Y630 PolarHBondContact O-N 3.45Å; I628-Y630 VanDerWaalsContact C-N 3.35Å; I628-Y630 PolarHBondContact O-N 2.68Å; Y630-S634 WeakPolarHBondContact O-CB 3.12Å; Y630-S634 PolarHBondContact O-N 3.32Å; Y630-L649 HydrophobicContact CD1-CD2 4.38Å; Y630-L649 HydrophobicContact CD2-CD2 3.89Å; Y630-L649 HydrophobicContact CE1-CD2 4.39Å; Y630-L649 HydrophobicContact CE2-CB 4.01Å; Y630-L649 HydrophobicContact CE2-CD2 3.91Å; Y630-L649 WeakPolarHBondContact CE2-O 3.42Å; Y630-L649 HydrophobicContact CG-CD2 4.12Å; Y630-I652 HydrophobicContact CD2-CB 4.28Å; Y630-I652 HydrophobicContact CD2-CG2 4.06Å; Y630-I652 HydrophobicContact CG-CG2 4.45Å
631	E	94.9	Very high	86.8	Confident	142 Å²	142	45.6 Å²	45.6	66%	0.664	25%	0.25	S	S	*	.	H	α-helix	trans	-63.3	-50.5	179.9	-173	169.2	-176.8	0	0	111.9	R627 I628 S634 G635	R627-E631 WeakPolarHBondContact O-CB 3.24Å; R627-E631 PolarHBondContact O-N 2.98Å; I628-E631 PolarHBondContact O-N 2.89Å; E631-S634 PolarHBondContact O-N 3.23Å; E631-G635 PolarHBondContact O-N 3.45Å
632	V	94.2	Very high	86.1	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-47.4	178.2	174.4	0	0	0	0	111.2	L562 Y565 L569 E585 I628 S634 G635 S636	L562-V632 HydrophobicContact CD1-CG1 3.73Å; Y565-V632 HydrophobicContact CE1-CG1 4.32Å; Y565-V632 HydrophobicContact CE1-CG2 4.05Å; L569-V632 HydrophobicContact CD1-CG2 4.35Å; E585-V632 HydrophobicContact CB-CG1 4Å; E585-V632 HydrophobicContact CG-CG1 3.81Å; I628-V632 HydrophobicContact CG2-CG2 4.3Å; I628-V632 WeakPolarHBondContact O-CG2 3.34Å; I628-V632 PolarHBondContact O-N 2.81Å; V632-S634 VanDerWaalsContact C-N 3.35Å; V632-S634 PolarHBondContact O-N 2.94Å; V632-G635 PolarHBondContact O-N 3.1Å; V632-S636 WeakPolarHBondContact O-CB 3.32Å; V632-S636 PolarHBondContact O-N 3.26Å; V632-S636 PolarHBondContact O-OG 3.43Å
633	V	92.9	Very high	85.6	Confident	1 Å²	1	53 Å²	53	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-42.2	176.8	173.8	0	0	0	0	110.6	L562 F593 L629 G635 S636 H645 L649 I652	L562-V633 HydrophobicContact CD2-CG2 4.06Å; F593-V633 HydrophobicContact CZ-CG1 4.41Å; L629-V633 HydrophobicContact CD1-CG2 4.15Å; L629-V633 HydrophobicContact CG-CG2 4.48Å; L629-V633 WeakPolarHBondContact O-CB 3.35Å; L629-V633 VanDerWaalsContact O-CG2 3.24Å; L629-V633 WeakPolarHBondContact O-CG2 3.43Å; L629-V633 PolarHBondContact O-N 2.81Å; V633-G635 PolarHBondContact O-N 3.49Å; V633-S636 PolarHBondContact O-N 2.84Å; V633-H645 PolarHBondContact O-NE2 3.39Å; V633-L649 HydrophobicContact CB-CD2 4.05Å; V633-L649 HydrophobicContact CG1-CD2 3.78Å; V633-L649 HydrophobicContact CG1-CG 4.13Å; V633-I652 HydrophobicContact CG2-CD1 4.26Å
634	S	91.9	Very high	85.1	Confident	57 Å²	57	55.4 Å²	55.4	40%	0.399	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-31.9	179.8	-172.1	0	0	0	0	113.2	Y630 E631 V632	Y630-S634 WeakPolarHBondContact O-CB 3.12Å; Y630-S634 PolarHBondContact O-N 3.32Å; E631-S634 PolarHBondContact O-N 3.23Å; V632-S634 VanDerWaalsContact C-N 3.35Å; V632-S634 PolarHBondContact O-N 2.94Å
635	G	88.3	Confident	84.8	Confident	34 Å²	34	53 Å²	53	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-71.4	-39.1	173.8	0	0	0	0	0	112.7	E631 V632 V633 T637	E631-G635 PolarHBondContact O-N 3.45Å; V632-G635 PolarHBondContact O-N 3.1Å; V633-G635 PolarHBondContact O-N 3.49Å; G635-T637 VanDerWaalsContact C-N 3.32Å; G635-T637 PolarHBondContact O-N 3.18Å; G635-T637 PolarHBondContact O-OG1 2.94Å
636	S	81.7	Confident	84.5	Confident	2 Å²	2	58 Å²	58	1%	0.014	31%	0.309	C	S	.	.	S	Bend	trans	-66.6	79.7	177.8	-74.6	0	0	0	0	113	E585 K586 S589 V632 V633 I638 H645	E585-S636 VanDerWaalsContact C-OG 3.26Å; E585-S636 PolarHBondContact O-OG 2.67Å; K586-S636 PolarHBondContact N-OG 2.79Å; S589-S636 VanDerWaalsContact CB-CB 3.5Å; S589-S636 WeakPolarHBondContact OG-CB 3.42Å; S589-S636 PolarHBondContact OG-OG 3.1Å; V632-S636 WeakPolarHBondContact O-CB 3.32Å; V632-S636 PolarHBondContact O-N 3.26Å; V632-S636 PolarHBondContact O-OG 3.43Å; V633-S636 PolarHBondContact O-N 2.84Å; S636-I638 PolarHBondContact O-N 3.48Å; S636-H645 PolarHBondContact O-NE2 3.2Å
637	T	65.9	Low	84.2	Confident	52 Å²	52	61.1 Å²	61.1	32%	0.319	32%	0.324	S	S	.	.			trans	-69.6	101.6	179.2	-46.9	0	0	0	0	111	R379 G635	R379-T637 PolarHBondContact NH1-OG1 3.39Å; R379-T637 VanDerWaalsContact NH1-OG1 3.1Å; G635-T637 VanDerWaalsContact C-N 3.32Å; G635-T637 PolarHBondContact O-N 3.18Å; G635-T637 PolarHBondContact O-OG1 2.94Å
638	I	64.9	Low	84	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.108	31%	0.307	C	S	.	.			trans	-93.7	102.4	175.2	-61.1	170.8	0	0	0	109	F593 S636 L640 M641	F593-I638 HydrophobicContact CD2-CD1 3.28Å; F593-I638 HydrophobicContact CE2-CD1 3.49Å; F593-I638 VanDerWaalsContact CE2-CD1 3.49Å; F593-I638 HydrophobicContact CG-CD1 4.29Å; S636-I638 PolarHBondContact O-N 3.48Å; I638-L640 PolarHBondContact O-N 3.37Å; I638-M641 HydrophobicContact CG2-CB 3.98Å; I638-M641 HydrophobicContact CG2-CG 4.18Å; I638-M641 HydrophobicContact CG2-SD 4.41Å; I638-M641 PolarHBondContact O-N 3.06Å
639	C	57.9	Low	83.9	Confident	110 Å²	110	55 Å²	55	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.7	-170.1	-50.9	0	0	0	0	115.9
640	L	56.6	Low	83.8	Confident	164 Å²	164	58.6 Å²	58.6	86%	0.859	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-14	-172.6	-61.7	175.8	0	0	0	114.3	I638	I638-L640 PolarHBondContact O-N 3.37Å
641	M	71	Confident	83.8	Confident	46 Å²	46	57.4 Å²	57.4	23%	0.227	31%	0.314	C	S	.	.			trans	-132.3	38.9	-166	-62.2	-179.7	75.6	0	0	112.1	F593 I638 H643 E644 H645	F593-M641 HydrophobicContact CB-CE 3.97Å; F593-M641 HydrophobicContact CB-SD 4.19Å; F593-M641 HydrophobicContact CD1-CE 4.45Å; I638-M641 HydrophobicContact CG2-CB 3.98Å; I638-M641 HydrophobicContact CG2-CG 4.18Å; I638-M641 HydrophobicContact CG2-SD 4.41Å; I638-M641 PolarHBondContact O-N 3.06Å; M641-H643 VanDerWaalsContact C-N 3.26Å; M641-H643 PolarHBondContact O-N 3.03Å; M641-E644 WeakPolarHBondContact CB-OE2 3.34Å; M641-E644 WeakPolarHBondContact CE-OE1 3.3Å; M641-E644 PolarHBondContact O-N 3.48Å; M641-H645 WeakPolarHBondContact O-CB 3.3Å; M641-H645 PolarHBondContact O-N 2.83Å
642	S	78.8	Confident	83.9	Confident	76 Å²	76	50.7 Å²	50.7	53%	0.531	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-32	-172.3	58.1	0	0	0	0	113.5	F646	S642-F646 WeakPolarHBondContact O-CD2 3.04Å; S642-F646 PolarHBondContact O-N 3.06Å; S642-F646 VanDerWaalsContact O-N 3.09Å
643	H	84.9	Confident	84	Confident	127 Å²	127	51 Å²	51	59%	0.588	29%	0.287	S	S	*	.	H	α-helix	trans	-71.3	-49.5	178.2	-171.4	30.4	0	0	0	112.2	M641 H645 F646 Q647	M641-H643 VanDerWaalsContact C-N 3.26Å; M641-H643 PolarHBondContact O-N 3.03Å; H643-H645 VanDerWaalsContact C-N 3.29Å; H643-H645 PolarHBondContact O-N 3.41Å; H643-F646 PolarHBondContact O-N 3.37Å; H643-Q647 PolarHBondContact CD2-NE2 2.88Å; H643-Q647 PolarHBondContact CE1-NE2 2.92Å; H643-Q647 PolarHBondContact NE2-NE2 3.27Å; H643-Q647 WeakPolarHBondContact O-CG 3.45Å; H643-Q647 PolarHBondContact O-N 3.2Å
644	E	85.6	Confident	84.1	Confident	71 Å²	71	55.3 Å²	55.3	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.8	-63	125	130.7	0	0	110.8	F593 M641 F646 Q647 T648	F593-E644 HydrophobicContact CD1-CB 4.38Å; F593-E644 HydrophobicContact CE1-CB 4.35Å; M641-E644 WeakPolarHBondContact CB-OE2 3.34Å; M641-E644 WeakPolarHBondContact CE-OE1 3.3Å; M641-E644 PolarHBondContact O-N 3.48Å; E644-F646 PolarHBondContact O-N 3.37Å; E644-Q647 WeakPolarHBondContact O-CB 3.4Å; E644-Q647 PolarHBondContact O-N 3.39Å; E644-Q647 VanDerWaalsContact O-N 3.11Å; E644-T648 PolarHBondContact O-N 3.3Å; E644-T648 PolarHBondContact O-OG1 3.41Å
645	H	88.7	Confident	84.3	Confident	21 Å²	21	53.5 Å²	53.5	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-55.1	-48.9	173.2	-176.7	-106.7	0	0	0	112.6	F593 V633 S636 M641 H643 T648 L649	F593-H645 HydrophobicContact CZ-CB 4.38Å; V633-H645 PolarHBondContact O-NE2 3.39Å; S636-H645 PolarHBondContact O-NE2 3.2Å; M641-H645 WeakPolarHBondContact O-CB 3.3Å; M641-H645 PolarHBondContact O-N 2.83Å; H643-H645 VanDerWaalsContact C-N 3.29Å; H643-H645 PolarHBondContact O-N 3.41Å; H645-T648 PolarHBondContact O-N 3Å; H645-L649 WeakPolarHBondContact O-CG 3.15Å; H645-L649 PolarHBondContact O-N 2.84Å
646	F	90.4	Very high	84.7	Confident	105 Å²	105	52.5 Å²	52.5	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-34.8	173.9	-76.6	-57.6	0	0	0	113.2	S642 H643 E644 N650	S642-F646 WeakPolarHBondContact O-CD2 3.04Å; S642-F646 PolarHBondContact O-N 3.06Å; S642-F646 VanDerWaalsContact O-N 3.09Å; H643-F646 PolarHBondContact O-N 3.37Å; E644-F646 PolarHBondContact O-N 3.37Å; F646-N650 WeakPolarHBondContact O-CB 3.42Å; F646-N650 VanDerWaalsContact O-CG 3.29Å; F646-N650 PolarHBondContact O-N 3.16Å; F646-N650 PolarHBondContact O-ND2 2.56Å
647	Q	92.1	Very high	85.3	Confident	65 Å²	65	57.4 Å²	57.4	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-44.8	173.6	-69.9	-177.5	17.3	0	0	111.3	L599 H643 E644 N650 L651	L599-Q647 HydrophobicContact CD1-CB 3.93Å; L599-Q647 HydrophobicContact CD2-CB 4.15Å; H643-Q647 PolarHBondContact CD2-NE2 2.88Å; H643-Q647 PolarHBondContact CE1-NE2 2.92Å; H643-Q647 PolarHBondContact NE2-NE2 3.27Å; H643-Q647 WeakPolarHBondContact O-CG 3.45Å; H643-Q647 PolarHBondContact O-N 3.2Å; E644-Q647 WeakPolarHBondContact O-CB 3.4Å; E644-Q647 PolarHBondContact O-N 3.39Å; E644-Q647 VanDerWaalsContact O-N 3.11Å; Q647-N650 PolarHBondContact O-N 2.89Å; Q647-L651 PolarHBondContact O-N 2.98Å
648	T	93.2	Very high	86.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-42.1	178.1	-54.4	0	0	0	0	111.9	F592 F593 Q602 E644 H645 N650 L651 I652	F592-T648 HydrophobicContact CE1-CG2 4.1Å; F593-T648 HydrophobicContact CE1-CG2 4.4Å; F593-T648 VanDerWaalsContact CE1-OG1 3.23Å; F593-T648 WeakPolarHBondContact CE1-OG1 3.47Å; F593-T648 HydrophobicContact CZ-CG2 4.26Å; Q602-T648 PolarHBondContact OE1-OG1 3.49Å; E644-T648 PolarHBondContact O-N 3.3Å; E644-T648 PolarHBondContact O-OG1 3.41Å; H645-T648 PolarHBondContact O-N 3Å; T648-N650 VanDerWaalsContact C-N 3.35Å; T648-N650 PolarHBondContact O-N 3.18Å; T648-L651 WeakPolarHBondContact O-CB 3.49Å; T648-L651 PolarHBondContact O-N 3.38Å; T648-I652 HydrophobicContact CG2-CD1 3.98Å; T648-I652 WeakPolarHBondContact O-CD1 3.32Å; T648-I652 VanDerWaalsContact O-CG1 3.3Å; T648-I652 WeakPolarHBondContact O-CG1 3.28Å; T648-I652 PolarHBondContact O-N 2.84Å
649	L	94.1	Very high	88	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-40.8	173.9	-73.1	173.8	0	0	0	112.1	Y630 V633 H645 I652 G653	Y630-L649 HydrophobicContact CD1-CD2 4.38Å; Y630-L649 HydrophobicContact CD2-CD2 3.89Å; Y630-L649 HydrophobicContact CE1-CD2 4.39Å; Y630-L649 HydrophobicContact CE2-CB 4.01Å; Y630-L649 HydrophobicContact CE2-CD2 3.91Å; Y630-L649 WeakPolarHBondContact CE2-O 3.42Å; Y630-L649 HydrophobicContact CG-CD2 4.12Å; V633-L649 HydrophobicContact CB-CD2 4.05Å; V633-L649 HydrophobicContact CG1-CD2 3.78Å; V633-L649 HydrophobicContact CG1-CG 4.13Å; H645-L649 WeakPolarHBondContact O-CG 3.15Å; H645-L649 PolarHBondContact O-N 2.84Å; L649-I652 PolarHBondContact O-N 2.67Å; L649-G653 PolarHBondContact O-N 2.98Å
650	N	95.1	Very high	89.6	Confident	77 Å²	77	55.5 Å²	55.5	41%	0.412	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-41.9	173.9	-76.1	-39.4	0	0	0	112.2	L39 F646 Q647 T648 G653 E654	L39-N650 WeakPolarHBondContact CD1-OD1 3.41Å; F646-N650 WeakPolarHBondContact O-CB 3.42Å; F646-N650 VanDerWaalsContact O-CG 3.29Å; F646-N650 PolarHBondContact O-N 3.16Å; F646-N650 PolarHBondContact O-ND2 2.56Å; Q647-N650 PolarHBondContact O-N 2.89Å; T648-N650 VanDerWaalsContact C-N 3.35Å; T648-N650 PolarHBondContact O-N 3.18Å; N650-G653 PolarHBondContact O-N 2.86Å; N650-E654 WeakPolarHBondContact O-CB 3.1Å; N650-E654 WeakPolarHBondContact O-CG 3.42Å; N650-E654 PolarHBondContact O-N 3.27Å
651	L	96.1	Very high	91.2	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-47.5	174.5	167.2	63.4	0	0	0	111.8	L599 Q602 K603 L606 Q647 T648 G653 E654 L655	L599-L651 HydrophobicContact CD1-CB 3.95Å; L599-L651 HydrophobicContact CD1-CD2 3.72Å; L599-L651 HydrophobicContact CD1-CG 4.46Å; L599-L651 HydrophobicContact CG-CD2 4.24Å; Q602-L651 HydrophobicContact CB-CD2 4.05Å; K603-L651 HydrophobicContact CB-CD1 3.83Å; K603-L651 HydrophobicContact CB-CD2 3.94Å; K603-L651 HydrophobicContact CD-CD1 4.21Å; K603-L651 HydrophobicContact CG-CD1 3.91Å; L606-L651 HydrophobicContact CD1-CD2 4.18Å; L606-L651 HydrophobicContact CD1-CG 4.4Å; Q647-L651 PolarHBondContact O-N 2.98Å; T648-L651 WeakPolarHBondContact O-CB 3.49Å; T648-L651 PolarHBondContact O-N 3.38Å; L651-G653 VanDerWaalsContact C-N 3.33Å; L651-G653 PolarHBondContact O-N 3.46Å; L651-E654 PolarHBondContact O-N 2.75Å; L651-L655 HydrophobicContact CD1-CD1 4.05Å; L651-L655 HydrophobicContact CD1-CG 4.27Å; L651-L655 HydrophobicContact CG-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CG 3.23Å; L651-L655 PolarHBondContact O-N 3.44Å
652	I	96.6	Very high	92	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-41.7	176.8	-64	160.2	0	0	0	110.4	L606 L626 L629 Y630 V633 T648 L649 L655 L656	L606-I652 HydrophobicContact CD1-CG1 4.03Å; L626-I652 HydrophobicContact CB-CG2 4.36Å; L626-I652 HydrophobicContact CD2-CG2 4.35Å; L626-I652 WeakPolarHBondContact O-CG2 3.35Å; L629-I652 HydrophobicContact CD2-CD1 4.07Å; L629-I652 HydrophobicContact CD2-CG1 4.16Å; L629-I652 HydrophobicContact CG-CD1 3.98Å; Y630-I652 HydrophobicContact CD2-CB 4.28Å; Y630-I652 HydrophobicContact CD2-CG2 4.06Å; Y630-I652 HydrophobicContact CG-CG2 4.45Å; V633-I652 HydrophobicContact CG2-CD1 4.26Å; T648-I652 HydrophobicContact CG2-CD1 3.98Å; T648-I652 WeakPolarHBondContact O-CD1 3.32Å; T648-I652 VanDerWaalsContact O-CG1 3.3Å; T648-I652 WeakPolarHBondContact O-CG1 3.28Å; T648-I652 PolarHBondContact O-N 2.84Å; L649-I652 PolarHBondContact O-N 2.67Å; I652-L655 PolarHBondContact O-N 3.37Å; I652-L656 VanDerWaalsContact O-CB 3.24Å; I652-L656 WeakPolarHBondContact O-CB 3.29Å; I652-L656 PolarHBondContact O-N 3.06Å
653	G	96.7	Very high	92.4	Very high	12 Å²	12	56.3 Å²	56.3	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-40.9	176.6	0	0	0	0	0	113.5	L649 N650 L651 L656 R657	L649-G653 PolarHBondContact O-N 2.98Å; N650-G653 PolarHBondContact O-N 2.86Å; L651-G653 VanDerWaalsContact C-N 3.33Å; L651-G653 PolarHBondContact O-N 3.46Å; G653-L656 PolarHBondContact O-N 3.32Å; G653-R657 VanDerWaalsContact O-CB 3.3Å; G653-R657 WeakPolarHBondContact O-CB 3.42Å; G653-R657 PolarHBondContact O-N 3.14Å
654	E	96.3	Very high	92.3	Very high	93 Å²	93	54 Å²	54	44%	0.435	24%	0.239	S	C	.	.	H	α-helix	trans	-68.3	-42.8	176.1	-78.1	-69.4	90.6	0	0	112.4	N650 L651 L656 R657 Y658	N650-E654 WeakPolarHBondContact O-CB 3.1Å; N650-E654 WeakPolarHBondContact O-CG 3.42Å; N650-E654 PolarHBondContact O-N 3.27Å; L651-E654 PolarHBondContact O-N 2.75Å; E654-L656 VanDerWaalsContact C-N 3.33Å; E654-L656 PolarHBondContact O-N 3.36Å; E654-R657 PolarHBondContact O-N 3.47Å; E654-R657 IonicContact OE1-CZ 2.61Å; E654-R657 VanDerWaalsContact OE1-CZ 3.26Å; E654-R657 IonicContact OE1-NE 3.19Å; E654-R657 PolarHBondContact OE1-NE 2.88Å; E654-R657 IonicContact OE1-NH2 3.61Å; E654-R657 PolarHBondContact OE1-NH2 3.46Å; E654-R657 IonicContact OE2-CZ 3.24Å; E654-R657 IonicContact OE2-NE 3.94Å; E654-R657 IonicContact OE2-NH2 2.92Å; E654-R657 PolarHBondContact OE2-NH2 3.44Å; E654-Y658 WeakPolarHBondContact O-CB 3.5Å; E654-Y658 PolarHBondContact O-N 2.96Å
655	L	95.9	Very high	92.2	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-41.2	173.6	-70.4	172.2	0	0	0	111.4	L606 E607 L626 L651 I652 Y658 L659	L606-L655 HydrophobicContact CB-CD1 4.14Å; L606-L655 HydrophobicContact CD1-CD1 4.19Å; E607-L655 HydrophobicContact CG-CD2 4.19Å; L626-L655 HydrophobicContact CD1-CB 3.63Å; L651-L655 HydrophobicContact CD1-CD1 4.05Å; L651-L655 HydrophobicContact CD1-CG 4.27Å; L651-L655 HydrophobicContact CG-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CG 3.23Å; L651-L655 PolarHBondContact O-N 3.44Å; I652-L655 PolarHBondContact O-N 3.37Å; L655-Y658 PolarHBondContact O-N 3Å; L655-L659 WeakPolarHBondContact O-CG 3.16Å; L655-L659 PolarHBondContact O-N 2.79Å
656	L	96.2	Very high	91.5	Very high	13 Å²	13	61.4 Å²	61.4	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-45.8	175.7	177.6	61.5	0	0	0	111.4	I623 L626 R627 I652 G653 E654 Y658 L659 I660	I623-L656 HydrophobicContact CB-CD1 4.44Å; I623-L656 HydrophobicContact CG2-CD1 3.92Å; L626-L656 HydrophobicContact CB-CB 4.23Å; L626-L656 HydrophobicContact CB-CD1 4.17Å; L626-L656 HydrophobicContact CD1-CB 4.27Å; R627-L656 HydrophobicContact CG-CD1 3.86Å; R627-L656 HydrophobicContact CG-CD2 3.84Å; I652-L656 VanDerWaalsContact O-CB 3.24Å; I652-L656 WeakPolarHBondContact O-CB 3.29Å; I652-L656 PolarHBondContact O-N 3.06Å; G653-L656 PolarHBondContact O-N 3.32Å; E654-L656 VanDerWaalsContact C-N 3.33Å; E654-L656 PolarHBondContact O-N 3.36Å; L656-Y658 VanDerWaalsContact C-N 3.33Å; L656-Y658 PolarHBondContact O-N 2.96Å; L656-L659 PolarHBondContact O-N 2.75Å; L656-I660 HydrophobicContact CD1-CD1 3.76Å; L656-I660 HydrophobicContact CD1-CG1 4.16Å; L656-I660 HydrophobicContact CG-CD1 3.83Å; L656-I660 WeakPolarHBondContact O-CB 3.48Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.41Å; L656-I660 PolarHBondContact O-N 3.02Å
657	R	95	Very high	90.6	Very high	105 Å²	105	61.2 Å²	61.2	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.1	-174.8	178.8	65.9	77.8	-1.3	111.6	F399 G653 E654 Y661	F399-R657 VanDerWaalsContact CZ-NH2 3.28Å; G653-R657 VanDerWaalsContact O-CB 3.3Å; G653-R657 WeakPolarHBondContact O-CB 3.42Å; G653-R657 PolarHBondContact O-N 3.14Å; E654-R657 PolarHBondContact O-N 3.47Å; E654-R657 IonicContact OE1-CZ 2.61Å; E654-R657 VanDerWaalsContact OE1-CZ 3.26Å; E654-R657 IonicContact OE1-NE 3.19Å; E654-R657 PolarHBondContact OE1-NE 2.88Å; E654-R657 IonicContact OE1-NH2 3.61Å; E654-R657 PolarHBondContact OE1-NH2 3.46Å; E654-R657 IonicContact OE2-CZ 3.24Å; E654-R657 IonicContact OE2-NE 3.94Å; E654-R657 IonicContact OE2-NH2 2.92Å; E654-R657 PolarHBondContact OE2-NH2 3.44Å; R657-Y661 WeakPolarHBondContact O-CB 3.35Å; R657-Y661 PolarHBondContact O-N 3.36Å
658	Y	93.2	Very high	89.3	Confident	74 Å²	74	65.2 Å²	65.2	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-50.5	175.2	175.5	-89.3	0	0	0	111.8	F404 E654 L655 L656 I660 Y661 Y662	F404-Y658 AromaticContact CE2-CE1 3.62Å; F404-Y658 HydrophobicContact CE2-CE1 3.62Å; F404-Y658 AromaticContact CE2-CZ 3.85Å; F404-Y658 HydrophobicContact CZ-CE1 4.21Å; E654-Y658 WeakPolarHBondContact O-CB 3.5Å; E654-Y658 PolarHBondContact O-N 2.96Å; L655-Y658 PolarHBondContact O-N 3Å; L656-Y658 VanDerWaalsContact C-N 3.33Å; L656-Y658 PolarHBondContact O-N 2.96Å; Y658-I660 PolarHBondContact O-N 3.25Å; Y658-Y661 PolarHBondContact O-N 3.14Å; Y658-Y662 WeakPolarHBondContact O-CB 3.2Å; Y658-Y662 PolarHBondContact O-N 3.19Å
659	L	92.8	Very high	87.6	Confident	16 Å²	16	69 Å²	69	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-37.5	-179.8	-71.5	-178.3	0	0	0	112.8	K622 I623 L626 L655 L656 Y662 Y663	K622-L659 HydrophobicContact CB-CD1 3.65Å; I623-L659 HydrophobicContact CD1-CB 4.4Å; I623-L659 HydrophobicContact CG1-CB 3.77Å; L626-L659 HydrophobicContact CD1-CD1 3.84Å; L655-L659 WeakPolarHBondContact O-CG 3.16Å; L655-L659 PolarHBondContact O-N 2.79Å; L656-L659 PolarHBondContact O-N 2.75Å; L659-Y662 PolarHBondContact O-N 3.02Å; L659-Y663 WeakPolarHBondContact O-CB 3.36Å; L659-Y663 PolarHBondContact O-N 2.98Å
660	I	91.6	Very high	85.7	Confident	53 Å²	53	78.4 Å²	78.4	27%	0.272	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-43.9	174.3	-70.9	170.7	0	0	0	110.7	I623 L656 Y658 Y663 Y664	I623-I660 HydrophobicContact CD1-CG1 3.98Å; I623-I660 HydrophobicContact CG1-CG1 4.13Å; I623-I660 HydrophobicContact CG2-CG1 4.12Å; L656-I660 HydrophobicContact CD1-CD1 3.76Å; L656-I660 HydrophobicContact CD1-CG1 4.16Å; L656-I660 HydrophobicContact CG-CD1 3.83Å; L656-I660 WeakPolarHBondContact O-CB 3.48Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.41Å; L656-I660 PolarHBondContact O-N 3.02Å; Y658-I660 PolarHBondContact O-N 3.25Å; I660-Y663 WeakPolarHBondContact O-CB 3.31Å; I660-Y663 PolarHBondContact O-N 2.83Å; I660-Y664 HydrophobicContact CG2-CD2 3.79Å; I660-Y664 HydrophobicContact CG2-CE2 3.58Å; I660-Y664 WeakPolarHBondContact O-CD2 3.47Å; I660-Y664 PolarHBondContact O-N 3.16Å
661	Y	90	Very high	83.6	Confident	158 Å²	158	79.2 Å²	79.2	62%	0.62	35%	0.346	S	S	*	.	H	α-helix	trans	-62.1	-45.1	175.3	178.2	-96.4	0	0	0	111.8	R657 Y658 Y663 Y664 Y665	R657-Y661 WeakPolarHBondContact O-CB 3.35Å; R657-Y661 PolarHBondContact O-N 3.36Å; Y658-Y661 PolarHBondContact O-N 3.14Å; Y661-Y663 VanDerWaalsContact C-N 3.35Å; Y661-Y663 PolarHBondContact O-N 3.41Å; Y661-Y664 PolarHBondContact O-N 2.93Å; Y661-Y665 WeakPolarHBondContact O-CB 3.29Å; Y661-Y665 PolarHBondContact O-N 3.05Å
662	Y	88	Confident	81.4	Confident	93 Å²	93	81.4 Å²	81.4	37%	0.365	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.5	-175.7	-112.4	0	0	0	112.3	I619 Y658 L659 Y665 Y666	I619-Y662 HydrophobicContact CD1-CD1 3.78Å; I619-Y662 HydrophobicContact CD1-CE1 3.55Å; I619-Y662 HydrophobicContact CG1-CD1 4.31Å; I619-Y662 HydrophobicContact CG1-CE1 4.23Å; I619-Y662 HydrophobicContact CG2-CD1 4.44Å; Y658-Y662 WeakPolarHBondContact O-CB 3.2Å; Y658-Y662 PolarHBondContact O-N 3.19Å; L659-Y662 PolarHBondContact O-N 3.02Å; Y662-Y665 PolarHBondContact O-N 3.3Å; Y662-Y666 WeakPolarHBondContact O-CB 3.47Å; Y662-Y666 PolarHBondContact O-N 3.39Å
663	Y	87	Confident	79.1	Confident	51 Å²	51	89.1 Å²	89.1	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-59.1	-50.7	174.1	-178.1	-93.2	0	0	0	112	I619 S620 I623 L659 I660 Y661 Y665 Y666 Y667	I619-Y663 HydrophobicContact CB-CD2 4.16Å; I619-Y663 HydrophobicContact CG2-CD2 3.93Å; I619-Y663 HydrophobicContact CG2-CG 4.39Å; S620-Y663 WeakPolarHBondContact OG-CE2 3.44Å; I623-Y663 HydrophobicContact CD1-CD2 4.39Å; I623-Y663 HydrophobicContact CD1-CG 4.17Å; L659-Y663 WeakPolarHBondContact O-CB 3.36Å; L659-Y663 PolarHBondContact O-N 2.98Å; I660-Y663 WeakPolarHBondContact O-CB 3.31Å; I660-Y663 PolarHBondContact O-N 2.83Å; Y661-Y663 VanDerWaalsContact C-N 3.35Å; Y661-Y663 PolarHBondContact O-N 3.41Å; Y663-Y665 VanDerWaalsContact C-N 3.35Å; Y663-Y665 PolarHBondContact O-N 2.84Å; Y663-Y666 PolarHBondContact O-N 3.36Å; Y663-Y667 HydrophobicContact CD1-CD2 4.45Å; Y663-Y667 AromaticContact CD2-CD2 3.42Å; Y663-Y667 HydrophobicContact CD2-CD2 3.42Å; Y663-Y667 VanDerWaalsContact CD2-CD2 3.42Å; Y663-Y667 AromaticContact CD2-CE2 3.47Å; Y663-Y667 HydrophobicContact CD2-CE2 3.47Å; Y663-Y667 VanDerWaalsContact CD2-CE2 3.47Å; Y663-Y667 HydrophobicContact CD2-CG 4.48Å; Y663-Y667 HydrophobicContact CE1-CD2 4.39Å; Y663-Y667 AromaticContact CE2-CD2 3.34Å; Y663-Y667 HydrophobicContact CE2-CD2 3.34Å; Y663-Y667 AromaticContact CE2-CE2 3.33Å; Y663-Y667 HydrophobicContact CE2-CE2 3.33Å; Y663-Y667 HydrophobicContact CE2-CG 4.08Å; Y663-Y667 AromaticContact CG-CD2 3.99Å; Y663-Y667 HydrophobicContact CG-CD2 3.99Å; Y663-Y667 HydrophobicContact CG-CE2 4.44Å; Y663-Y667 AromaticContact CZ-CD2 3.86Å; Y663-Y667 WeakPolarHBondContact O-CD2 3.16Å; Y663-Y667 PolarHBondContact O-N 3.08Å
664	Y	83.8	Confident	77.3	Confident	78 Å²	78	91.1 Å²	91.1	31%	0.306	42%	0.415	S	S	.	.	I	π-helix	trans	-62.5	-41.4	176.6	-77.9	-62.2	0	0	0	112.2	F32 I660 Y661 Y666 F668	F32-Y664 HydrophobicContact CZ-CE1 4.49Å; F32-Y664 WeakPolarHBondContact CZ-OH 3.46Å; I660-Y664 HydrophobicContact CG2-CD2 3.79Å; I660-Y664 HydrophobicContact CG2-CE2 3.58Å; I660-Y664 WeakPolarHBondContact O-CD2 3.47Å; I660-Y664 PolarHBondContact O-N 3.16Å; Y661-Y664 PolarHBondContact O-N 2.93Å; Y664-Y666 PolarHBondContact O-N 2.87Å; Y664-F668 WeakPolarHBondContact O-CA 3.36Å; Y664-F668 WeakPolarHBondContact O-CB 3.4Å; Y664-F668 PolarHBondContact O-N 2.94Å
665	Y	82.4	Confident	75.7	Confident	137 Å²	137	90.4 Å²	90.4	54%	0.537	41%	0.414	S	S	.	.	I	π-helix	trans	-62.3	-41.3	177	-174.7	-96.1	0	0	0	112.4	Y661 Y662 Y663 N669	Y661-Y665 WeakPolarHBondContact O-CB 3.29Å; Y661-Y665 PolarHBondContact O-N 3.05Å; Y662-Y665 PolarHBondContact O-N 3.3Å; Y663-Y665 VanDerWaalsContact C-N 3.35Å; Y663-Y665 PolarHBondContact O-N 2.84Å; Y665-N669 WeakPolarHBondContact O-CB 3.17Å
666	Y	75.8	Confident	74.3	Confident	111 Å²	111	96.4 Å²	96.4	44%	0.435	44%	0.442	S	S	.	.	I	π-helix	trans	-77.5	-51.2	-178.4	-163	-88.3	0	0	0	112.9	Y662 Y663 Y664 R670	Y662-Y666 WeakPolarHBondContact O-CB 3.47Å; Y662-Y666 PolarHBondContact O-N 3.39Å; Y663-Y666 PolarHBondContact O-N 3.36Å; Y664-Y666 PolarHBondContact O-N 2.87Å; Y666-R670 PolarHBondContact O-N 3.02Å
667	Y	71.6	Confident	73	Confident	101 Å²	101	103.6 Å²	103.6	40%	0.396	47%	0.468	S	S	.	.	I	π-helix	trans	-80.5	-41.9	-173.7	-74.1	-86.3	0	0	0	113.2	I619 Y663	I619-Y667 HydrophobicContact CD1-CE2 4.15Å; Y663-Y667 HydrophobicContact CD1-CD2 4.45Å; Y663-Y667 AromaticContact CD2-CD2 3.42Å; Y663-Y667 HydrophobicContact CD2-CD2 3.42Å; Y663-Y667 VanDerWaalsContact CD2-CD2 3.42Å; Y663-Y667 AromaticContact CD2-CE2 3.47Å; Y663-Y667 HydrophobicContact CD2-CE2 3.47Å; Y663-Y667 VanDerWaalsContact CD2-CE2 3.47Å; Y663-Y667 HydrophobicContact CD2-CG 4.48Å; Y663-Y667 HydrophobicContact CE1-CD2 4.39Å; Y663-Y667 AromaticContact CE2-CD2 3.34Å; Y663-Y667 HydrophobicContact CE2-CD2 3.34Å; Y663-Y667 AromaticContact CE2-CE2 3.33Å; Y663-Y667 HydrophobicContact CE2-CE2 3.33Å; Y663-Y667 HydrophobicContact CE2-CG 4.08Å; Y663-Y667 AromaticContact CG-CD2 3.99Å; Y663-Y667 HydrophobicContact CG-CD2 3.99Å; Y663-Y667 HydrophobicContact CG-CE2 4.44Å; Y663-Y667 AromaticContact CZ-CD2 3.86Å; Y663-Y667 WeakPolarHBondContact O-CD2 3.16Å; Y663-Y667 PolarHBondContact O-N 3.08Å
668	F	63.6	Low	71.6	Confident	150 Å²	150	103.7 Å²	103.7	66%	0.658	47%	0.471	S	S	*	.	I	π-helix	trans	-78.7	-35	-176.3	-139.6	-85.8	0	0	0	111.7	Y664 R670 S671	Y664-F668 WeakPolarHBondContact O-CA 3.36Å; Y664-F668 WeakPolarHBondContact O-CB 3.4Å; Y664-F668 PolarHBondContact O-N 2.94Å; F668-R670 VanDerWaalsContact C-N 3.32Å; F668-R670 PolarHBondContact O-N 2.91Å; F668-S671 WeakPolarHBondContact O-CA 3.44Å; F668-S671 VanDerWaalsContact O-CB 3.29Å; F668-S671 WeakPolarHBondContact O-CB 3.22Å; F668-S671 PolarHBondContact O-N 3.1Å
669	N	57.8	Low	70.8	Confident	80 Å²	80	100.8 Å²	100.8	43%	0.428	46%	0.463	S	S	.	.	H	α-helix	trans	-74.9	-21	178.3	-147.1	21.8	0	0	0	112.7	Y665 S671 S672	Y665-N669 WeakPolarHBondContact O-CB 3.17Å; N669-S671 PolarHBondContact O-N 2.6Å; N669-S672 VanDerWaalsContact O-CB 3.25Å; N669-S672 WeakPolarHBondContact O-CB 3.41Å; N669-S672 PolarHBondContact O-N 3.09Å; N669-S672 PolarHBondContact O-OG 2.89Å; N669-S672 WeakPolarHBondContact OD1-CB 3.45Å; N669-S672 PolarHBondContact OD1-OG 3.01Å
670	R	53.5	Low	69.9	Low	202 Å²	202	106.5 Å²	106.5	76%	0.762	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.2	163.2	-108.6	-167.7	-178.5	-131.7	3.5	113.6	Y666 F668	Y666-R670 PolarHBondContact O-N 3.02Å; F668-R670 VanDerWaalsContact C-N 3.32Å; F668-R670 PolarHBondContact O-N 2.91Å
671	S	51.3	Low	69.1	Low	95 Å²	95	110.7 Å²	110.7	66%	0.664	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	3	172.1	-50.7	0	0	0	0	112.8	F668 N669	F668-S671 WeakPolarHBondContact O-CA 3.44Å; F668-S671 VanDerWaalsContact O-CB 3.29Å; F668-S671 WeakPolarHBondContact O-CB 3.22Å; F668-S671 PolarHBondContact O-N 3.1Å; N669-S671 PolarHBondContact O-N 2.6Å
672	S	49.5	Very low	68.5	Low	67 Å²	67	108.9 Å²	108.9	47%	0.469	50%	0.502	S	S	.	.	S	Bend	trans	-67.8	135.4	171.4	70.2	0	0	0	0	109.6	N669 S674	N669-S672 VanDerWaalsContact O-CB 3.25Å; N669-S672 WeakPolarHBondContact O-CB 3.41Å; N669-S672 PolarHBondContact O-N 3.09Å; N669-S672 PolarHBondContact O-OG 2.89Å; N669-S672 WeakPolarHBondContact OD1-CB 3.45Å; N669-S672 PolarHBondContact OD1-OG 3.01Å; S672-S674 PolarHBondContact O-N 3.01Å; S672-S674 VanDerWaalsContact O-N 3.11Å
673	L	49.5	Very low	67.9	Low	163 Å²	163	111.8 Å²	111.8	85%	0.853	53%	0.525	S	S	*	.			trans	-65.7	111.4	169	-79.2	161.4	0	0	0	107.6	L675	L673-L675 VanDerWaalsContact C-N 3.34Å; L673-L675 PolarHBondContact O-N 3.45Å
674	S	58	Low	67.5	Low	55 Å²	55	114 Å²	114	39%	0.385	54%	0.539	S	S	.	.			trans	-61.2	100.1	169.7	175	0	0	0	0	108.6	S672 E676 W677 F678	S672-S674 PolarHBondContact O-N 3.01Å; S672-S674 VanDerWaalsContact O-N 3.11Å; S674-E676 PolarHBondContact O-N 3.4Å; S674-W677 PolarHBondContact O-N 3.11Å; S674-W677 PolarHBondContact OG-N 3.26Å; S674-F678 PolarHBondContact O-N 3.09Å
675	L	63.8	Low	66.9	Low	77 Å²	77	117 Å²	117	40%	0.403	57%	0.565	S	S	.	*	H	α-helix	trans	-62.9	-22.8	172.2	-77.2	163.2	0	0	0	110.8	L673 A679 L686 I689	L673-L675 VanDerWaalsContact C-N 3.34Å; L673-L675 PolarHBondContact O-N 3.45Å; L675-A679 WeakPolarHBondContact O-CB 3.47Å; L675-A679 PolarHBondContact O-N 3.44Å; L675-L686 HydrophobicContact CB-CD1 4.25Å; L675-L686 HydrophobicContact CB-CD2 3.81Å; L675-L686 HydrophobicContact CD1-CD2 4.4Å; L675-L686 HydrophobicContact CD2-CD1 4.45Å; L675-I689 HydrophobicContact CD1-CD1 4.16Å; L675-I689 HydrophobicContact CD1-CG2 4.49Å
676	E	66.1	Low	66.3	Low	146 Å²	146	114.4 Å²	114.4	68%	0.682	56%	0.56	S	S	*	*	H	α-helix	trans	-67.5	-47.1	171.9	-60	162	135	0	0	111.3	S674 F678 A679 E680	S674-E676 PolarHBondContact O-N 3.4Å; E676-F678 VanDerWaalsContact C-N 3.28Å; E676-F678 PolarHBondContact O-N 2.94Å; E676-A679 PolarHBondContact O-N 3.44Å; E676-E680 PolarHBondContact O-N 3.49Å
677	W	68.2	Low	66.2	Low	163 Å²	163	114.9 Å²	114.9	62%	0.617	57%	0.57	S	S	*	*	H	α-helix	trans	-58.9	-40.7	173.7	179.4	91.5	0	0	0	111.9	S674 K681	S674-W677 PolarHBondContact O-N 3.11Å; S674-W677 PolarHBondContact OG-N 3.26Å; W677-K681 HydrophobicContact CD2-CG 4.3Å; W677-K681 HydrophobicContact CH2-CG 4.35Å; W677-K681 HydrophobicContact CZ2-CG 4.08Å; W677-K681 VanDerWaalsContact O-CB 3.28Å; W677-K681 WeakPolarHBondContact O-CB 3.33Å; W677-K681 WeakPolarHBondContact O-CG 3.22Å; W677-K681 PolarHBondContact O-N 3.1Å
678	F	66.5	Low	66.1	Low	107 Å²	107	115.9 Å²	115.9	47%	0.469	58%	0.577	S	S	.	*	H	α-helix	trans	-68.4	-40.9	176.6	-167.2	-90.6	0	0	0	111.9	S674 E676 K681 Q682 L684	S674-F678 PolarHBondContact O-N 3.09Å; E676-F678 VanDerWaalsContact C-N 3.28Å; E676-F678 PolarHBondContact O-N 2.94Å; F678-K681 PolarHBondContact O-N 3.04Å; F678-Q682 HydrophobicContact CD1-CG 4.47Å; F678-Q682 HydrophobicContact CE1-CG 4.14Å; F678-Q682 HydrophobicContact CZ-CG 4.27Å; F678-Q682 WeakPolarHBondContact O-CB 3.44Å; F678-Q682 PolarHBondContact O-N 3.23Å; F678-Q682 VanDerWaalsContact O-N 3.13Å; F678-L684 HydrophobicContact CD1-CD1 4.39Å; F678-L684 HydrophobicContact CE1-CD1 4.11Å
679	A	75.2	Confident	66.4	Low	14 Å²	14	113 Å²	113	12%	0.116	57%	0.567	C	S	.	*	H	α-helix	trans	-64.2	-48.8	177.1	0	0	0	0	0	112.1	L675 E676 K681 Q682 N683 L684	L675-A679 WeakPolarHBondContact O-CB 3.47Å; L675-A679 PolarHBondContact O-N 3.44Å; E676-A679 PolarHBondContact O-N 3.44Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 2.93Å; A679-Q682 CarbonylContact O-C 3.53Å; A679-Q682 PolarHBondContact O-N 3.36Å; A679-N683 WeakPolarHBondContact O-CA 3.06Å; A679-N683 PolarHBondContact O-N 3.2Å; A679-L684 WeakPolarHBondContact CB-O 3.41Å; A679-L684 PolarHBondContact O-N 3.37Å
680	E	74.1	Confident	66.3	Low	136 Å²	136	116.7 Å²	116.7	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-58.9	-42.9	173.9	-78.7	-150.6	113.8	0	0	111.8	K339 E676 Q682	K339-E680 IonicContact NZ-OE1 2.83Å; E676-E680 PolarHBondContact O-N 3.49Å; E680-Q682 VanDerWaalsContact C-N 3.29Å; E680-Q682 PolarHBondContact O-N 2.74Å
681	K	74.8	Confident	66.3	Low	140 Å²	140	115.7 Å²	115.7	61%	0.609	58%	0.578	S	S	*	*	H	α-helix	trans	-66.7	-27.1	-179.3	-88.7	-73	-179.1	-178.5	0	114.3	W677 F678 A679	W677-K681 HydrophobicContact CD2-CG 4.3Å; W677-K681 HydrophobicContact CH2-CG 4.35Å; W677-K681 HydrophobicContact CZ2-CG 4.08Å; W677-K681 VanDerWaalsContact O-CB 3.28Å; W677-K681 WeakPolarHBondContact O-CB 3.33Å; W677-K681 WeakPolarHBondContact O-CG 3.22Å; W677-K681 PolarHBondContact O-N 3.1Å; F678-K681 PolarHBondContact O-N 3.04Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 2.93Å
682	Q	78.5	Confident	66.4	Low	120 Å²	120	113.8 Å²	113.8	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-110.9	2.8	-177.4	-62.8	-61.1	-40.2	0	0	113.2	F678 A679 E680 L684	F678-Q682 HydrophobicContact CD1-CG 4.47Å; F678-Q682 HydrophobicContact CE1-CG 4.14Å; F678-Q682 HydrophobicContact CZ-CG 4.27Å; F678-Q682 WeakPolarHBondContact O-CB 3.44Å; F678-Q682 PolarHBondContact O-N 3.23Å; F678-Q682 VanDerWaalsContact O-N 3.13Å; A679-Q682 CarbonylContact O-C 3.53Å; A679-Q682 PolarHBondContact O-N 3.36Å; E680-Q682 VanDerWaalsContact C-N 3.29Å; E680-Q682 PolarHBondContact O-N 2.74Å; Q682-L684 HydrophobicContact CB-CD1 3.65Å; Q682-L684 HydrophobicContact CB-CG 3.66Å; Q682-L684 HydrophobicContact CG-CD1 4.4Å; Q682-L684 PolarHBondContact O-N 2.92Å
683	N	74.5	Confident	66.5	Low	155 Å²	155	112.7 Å²	112.7	83%	0.829	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.2	39.1	-173	-161.8	52	0	0	0	113.1	A679	A679-N683 WeakPolarHBondContact O-CA 3.06Å; A679-N683 PolarHBondContact O-N 3.2Å
684	L	78.5	Confident	66.8	Low	98 Å²	98	114.7 Å²	114.7	51%	0.513	57%	0.569	S	S	.	*			trans	-94.6	142	-179.9	-63.5	171.7	0	0	0	110.7	F678 A679 Q682	F678-L684 HydrophobicContact CD1-CD1 4.39Å; F678-L684 HydrophobicContact CE1-CD1 4.11Å; A679-L684 WeakPolarHBondContact CB-O 3.41Å; A679-L684 PolarHBondContact O-N 3.37Å; Q682-L684 HydrophobicContact CB-CD1 3.65Å; Q682-L684 HydrophobicContact CB-CG 3.66Å; Q682-L684 HydrophobicContact CG-CD1 4.4Å; Q682-L684 PolarHBondContact O-N 2.92Å
685	V	72.9	Confident	66.5	Low	140 Å²	140	119.3 Å²	119.3	85%	0.848	59%	0.588	S	S	*	*			trans	-93.7	125.4	169.1	-180	0	0	0	0	109.1	D687	V685-D687 PolarHBondContact O-N 3.23Å; V685-D687 VanDerWaalsContact O-N 3.1Å
686	L	69.7	Low	65.6	Low	82 Å²	82	122.8 Å²	122.8	43%	0.429	60%	0.601	S	S	.	*			trans	-85.1	75.8	-177.5	-156.2	77.6	0	0	0	111	L675 I689	L675-L686 HydrophobicContact CB-CD1 4.25Å; L675-L686 HydrophobicContact CB-CD2 3.81Å; L675-L686 HydrophobicContact CD1-CD2 4.4Å; L675-L686 HydrophobicContact CD2-CD1 4.45Å; L686-I689 HydrophobicContact CD2-CD1 3.72Å; L686-I689 HydrophobicContact CD2-CG1 3.83Å; L686-I689 HydrophobicContact CG-CG1 4.24Å
687	D	72.1	Confident	64.4	Low	122 Å²	122	120.9 Å²	120.9	65%	0.652	60%	0.601	S	S	*	*			trans	-58.7	-52.7	-175.6	169.9	52.5	0	0	0	113.4	V685	V685-D687 PolarHBondContact O-N 3.23Å; V685-D687 VanDerWaalsContact O-N 3.1Å
688	K	71	Confident	63.2	Low	122 Å²	122	118.1 Å²	118.1	53%	0.53	60%	0.602	S	S	.	*			trans	-145.5	126.6	-176.2	-68.5	176.3	-169.6	71.1	0	112.3	Y690	K688-Y690 HydrophobicContact CB-CD2 4.13Å; K688-Y690 HydrophobicContact CB-CE2 3.58Å; K688-Y690 HydrophobicContact CD-CE2 4.19Å; K688-Y690 WeakPolarHBondContact CD-OH 3.42Å
689	I	69	Low	62	Low	89 Å²	89	120.7 Å²	120.7	46%	0.456	62%	0.619	S	S	.	*			trans	-95.5	118.8	170	-48.5	176.4	0	0	0	109	L675 L686 F691	L675-I689 HydrophobicContact CD1-CD1 4.16Å; L675-I689 HydrophobicContact CD1-CG2 4.49Å; L686-I689 HydrophobicContact CD2-CD1 3.72Å; L686-I689 HydrophobicContact CD2-CG1 3.83Å; L686-I689 HydrophobicContact CG-CG1 4.24Å; I689-F691 HydrophobicContact CB-CD2 4.49Å; I689-F691 HydrophobicContact CB-CE2 4.2Å; I689-F691 HydrophobicContact CG2-CD2 3.8Å; I689-F691 HydrophobicContact CG2-CE2 3.46Å; I689-F691 VanDerWaalsContact CG2-CE2 3.46Å; I689-F691 HydrophobicContact CG2-CZ 3.9Å
690	Y	56.2	Low	60.4	Low	158 Å²	158	124.3 Å²	124.3	62%	0.62	64%	0.643	S	S	*	*			trans	-101.3	82.4	-179.4	-75.6	-83	0	0	0	111.8	K688 T693	K688-Y690 HydrophobicContact CB-CD2 4.13Å; K688-Y690 HydrophobicContact CB-CE2 3.58Å; K688-Y690 HydrophobicContact CD-CE2 4.19Å; K688-Y690 WeakPolarHBondContact CD-OH 3.42Å; Y690-T693 HydrophobicContact CD1-CG2 3.99Å; Y690-T693 HydrophobicContact CG-CG2 4.38Å
691	F	52.3	Low	58.3	Low	180 Å²	180	128.5 Å²	128.5	79%	0.789	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	136.4	171.3	-71.4	-80	0	0	0	111.7	I689 T693	I689-F691 HydrophobicContact CB-CD2 4.49Å; I689-F691 HydrophobicContact CB-CE2 4.2Å; I689-F691 HydrophobicContact CG2-CD2 3.8Å; I689-F691 HydrophobicContact CG2-CE2 3.46Å; I689-F691 VanDerWaalsContact CG2-CE2 3.46Å; I689-F691 HydrophobicContact CG2-CZ 3.9Å; F691-T693 VanDerWaalsContact C-N 3.33Å; F691-T693 PolarHBondContact O-N 3.41Å
692	G	53.7	Low	56.2	Low	56 Å²	56	126.6 Å²	126.6	58%	0.577	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.5	26	163.1	0	0	0	0	0	116.8
693	T	51.5	Low	54	Low	44 Å²	44	129.1 Å²	129.1	27%	0.27	67%	0.669	S	S	.	*			trans	-72.1	153.4	173.5	64.7	0	0	0	0	111.3	Y690 F691 L695 F696	Y690-T693 HydrophobicContact CD1-CG2 3.99Å; Y690-T693 HydrophobicContact CG-CG2 4.38Å; F691-T693 VanDerWaalsContact C-N 3.33Å; F691-T693 PolarHBondContact O-N 3.41Å; T693-L695 PolarHBondContact O-N 2.96Å; T693-F696 CarbonylContact O-C 3.49Å; T693-F696 PolarHBondContact O-N 3.33Å; T693-F696 VanDerWaalsContact O-O 3.09Å
694	Q	55.6	Low	52	Low	205 Å²	205	126.2 Å²	126.2	96%	0.958	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-12.3	177.3	-63.6	179.3	1.2	0	0	113.8
695	L	53.1	Low	49.7	Very low	151 Å²	151	132.4 Å²	132.4	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-19.8	175.4	-63	171.1	0	0	0	113.1	T693	T693-L695 PolarHBondContact O-N 2.96Å
696	F	45.1	Very low	47.7	Very low	151 Å²	151	130.6 Å²	130.6	66%	0.662	67%	0.672	S	S	*	*	S	Bend	trans	-126.8	88.3	179.7	-75	-84	0	0	0	109.4	T693 V698	T693-F696 CarbonylContact O-C 3.49Å; T693-F696 PolarHBondContact O-N 3.33Å; T693-F696 VanDerWaalsContact O-O 3.09Å; F696-V698 PolarHBondContact O-N 2.92Å
697	P	40.7	Very low	45.8	Very low	106 Å²	106	135.6 Å²	135.6	69%	0.688	69%	0.691	S	S	*	*			trans	-58.2	128.8	174.4	25.4	-33.7	0	0	0	109.3	I699	P697-I699 PolarHBondContact O-N 2.73Å; P697-I699 VanDerWaalsContact O-N 3.1Å
698	V	42.3	Very low	43.7	Very low	105 Å²	105	137.9 Å²	137.9	64%	0.636	70%	0.703	S	S	*	*			trans	-60.1	117.9	176.1	-179.6	0	0	0	0	107.9	F696 S700	F696-V698 PolarHBondContact O-N 2.92Å; V698-S700 PolarHBondContact O-N 3.22Å
699	I	41.4	Very low	41.5	Very low	161 Å²	161	137.9 Å²	137.9	83%	0.826	72%	0.717	S	S	*	*			trans	-78	60	177.5	-45.9	-179.2	0	0	0	109.4	P697 R701	P697-I699 PolarHBondContact O-N 2.73Å; P697-I699 VanDerWaalsContact O-N 3.1Å; I699-R701 PolarHBondContact O-N 3.25Å
700	S	40.5	Very low	39.6	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	74%	0.735	S	S	*	*			trans	-59.4	113.4	158	-62	0	0	0	0	106.7	V698 S702	V698-S700 PolarHBondContact O-N 3.22Å; S700-S702 PolarHBondContact O-N 2.94Å
701	R	31	Very low	38.2	Very low	225 Å²	225	141 Å²	141	85%	0.849	75%	0.745	S	S	*	*			trans	-54.4	105.8	-177.7	-87.4	-176.4	168.9	163.6	-4.2	110.6	I699 E703	I699-R701 PolarHBondContact O-N 3.25Å; R701-E703 VanDerWaalsContact C-N 3.26Å; R701-E703 PolarHBondContact O-N 3.33Å
702	S	30.6	Very low	37.1	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	74%	0.743	S	S	*	*			trans	-84.2	65.2	-178.1	60	0	0	0	0	111.2	S700 S704	S700-S702 PolarHBondContact O-N 2.94Å; S702-S704 VanDerWaalsContact C-N 3.33Å; S702-S704 PolarHBondContact O-N 3.08Å; S702-S704 PolarHBondContact O-OG 3.15Å
703	E	32.1	Very low	35.9	Very low	174 Å²	174	148.8 Å²	148.8	81%	0.813	76%	0.758	S	S	*	*			trans	-67	97.2	165.8	-78.6	-178	-161.2	0	0	108.8	R701 Y705	R701-E703 VanDerWaalsContact C-N 3.26Å; R701-E703 PolarHBondContact O-N 3.33Å; E703-Y705 PolarHBondContact O-N 3.1Å
704	S	32.1	Very low	34.9	Very low	93 Å²	93	155.3 Å²	155.3	65%	0.65	78%	0.782	S	S	*	*			trans	-90.6	90.7	-158	-65.3	0	0	0	0	112	S702	S702-S704 VanDerWaalsContact C-N 3.33Å; S702-S704 PolarHBondContact O-N 3.08Å; S702-S704 PolarHBondContact O-OG 3.15Å
705	Y	31.6	Very low	33.7	Very low	229 Å²	229	156.4 Å²	156.4	90%	0.898	78%	0.778	S	S	*	*			trans	-125.6	110.7	166.5	-85.2	-73.2	0	0	0	114.9	E703	E703-Y705 PolarHBondContact O-N 3.1Å
706	S	30.2	Very low	32.7	Very low	101 Å²	101	156.1 Å²	156.1	71%	0.706	78%	0.777	S	S	*	*			trans	55.9	89.9	154.1	-162.9	0	0	0	0	119.3
707	K	29.5	Very low	31.9	Very low	188 Å²	188	158.7 Å²	158.7	82%	0.817	79%	0.788	S	S	*	*				32.8	100.6	120.3	-59.5	174.8	-179.3	176.8	0	116.6
708	N	27.7	Very low	31.6	Very low	170 Å²	170	158.9 Å²	158.9	91%	0.909	79%	0.792	S	S	*	*				-175.5	78.6	123.2	-92.9	-13.7	0	0	0	111.8
709	C	24.6	Very low	31.1	Very low	121 Å²	121	159.6 Å²	159.6	82%	0.818	80%	0.801	S	S	*	*			trans	-138.1	109.7	155.9	-168.3	0	0	0	0	108
710	F	29.5	Very low	30.8	Very low	191 Å²	191	156 Å²	156	84%	0.838	79%	0.791	S	S	*	*			trans	-135.4	124.1	175.4	-127.2	-84.4	0	0	0	108.4	F712	F710-F712 HydrophobicContact CD1-CD2 4.5Å; F710-F712 PolarHBondContact O-N 2.85Å; F710-F712 VanDerWaalsContact O-N 3.1Å
711	C	27	Very low	30.3	Very low	122 Å²	122	158.8 Å²	158.8	82%	0.824	80%	0.798	S	S	*	*			trans	-73.8	101.3	-171.5	-51.5	0	0	0	0	111.3
712	F	30.2	Very low	30.3	Very low	171 Å²	171	156.5 Å²	156.5	75%	0.75	80%	0.802	S	S	*	*			trans	-144.1	43.7	179.9	-109.7	-71.1	0	0	0	116.5	F710 K714	F710-F712 HydrophobicContact CD1-CD2 4.5Å; F710-F712 PolarHBondContact O-N 2.85Å; F710-F712 VanDerWaalsContact O-N 3.1Å; F712-K714 PolarHBondContact O-N 3.39Å
713	Y	28.1	Very low	30.3	Very low	229 Å²	229	156.5 Å²	156.5	90%	0.898	80%	0.802	S	S	*	*			trans	-88.8	70.2	167.3	-120.8	-86.1	0	0	0	112.7
714	K	30.5	Very low	30	Very low	180 Å²	180	156.4 Å²	156.4	78%	0.783	80%	0.804	S	S	*	*			trans	-166.5	124.9	167	-112.4	165.3	-172.2	169.1	0	110.7	F712	F712-K714 PolarHBondContact O-N 3.39Å
715	R	29.4	Very low	29.9	Very low	229 Å²	229	159.7 Å²	159.7	86%	0.864	81%	0.813	S	S	*	*			trans	68.4	140.7	177	-69.1	179.9	174.2	137.8	-4.2	114
716	N	32	Very low	29.8	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.804	S	S	*	*			cis	-138.7	159.5	4	-91	-32.2	0	0	0	111.9
717	K	28.9	Very low	29.7	Very low	205 Å²	205	157.3 Å²	157.3	89%	0.891	81%	0.812	S	S	*	*			trans	-75.4	135.6	156.2	-72.4	-178.1	172.1	-173.6	0	109.4
718	S	34	Very low	29.8	Very low	110 Å²	110	155.4 Å²	155.4	77%	0.769	81%	0.811	S	S	*	*			trans	162.9	128.5	130.2	56.8	0	0	0	0	112.5
719	S	33.3	Very low	29.8	Very low	119 Å²	119	154.6 Å²	154.6	83%	0.832	81%	0.812	S	S	*	*			trans	60.2	156.7	162.1	-101.9	0	0	0	0	118.2
720	S	34.3	Very low	30.1	Very low	86 Å²	86	153 Å²	153	60%	0.601	81%	0.808	S	S	*	*			cis	-170.4	146.8	-31.8	38.7	0	0	0	0	107.2
721	D	30.3	Very low	30.1	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	80%	0.801	S	S	*	*			trans	41.2	107	156.8	-46.2	-36.7	0	0	0	119.3
722	L	31	Very low	30.1	Very low	178 Å²	178	155.8 Å²	155.8	93%	0.932	81%	0.806	S	S	*	*				-173.8	157.4	105.5	-97.8	156.4	0	0	0	112.6
723	S	30.3	Very low	30.1	Very low	99 Å²	99	153.1 Å²	153.1	69%	0.692	81%	0.808	S	S	*	*			trans	-100.5	140.4	-163.6	56	0	0	0	0	114.8
724	M	25.6	Very low	30.3	Very low	172 Å²	172	147.2 Å²	147.2	85%	0.847	80%	0.8	S	S	*	*			trans	31.5	126.7	145.1	-55.4	-170.8	79.7	0	0	120.8
725	I	29.2	Very low	30.2	Very low	162 Å²	162	144.3 Å²	144.3	83%	0.831	80%	0.798	S	S	*	*				-154.5	137.9	125.3	-101.4	150.8	0	0	0	108.2
726	P	29.3	Very low	30.3	Very low	110 Å²	110	140.3 Å²	140.3	71%	0.714	79%	0.794	S	S	*	*			trans	-92.3	162.4	-179.4	37.1	-35.3	0	0	0	112.7
727	L	29.9	Very low	30.4	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	79%	0.785	S	S	*	*			trans	-150	157.6	169.7	-113.5	170.6	0	0	0	113.4
728	N	31.6	Very low	30.5	Very low	149 Å²	149	134.9 Å²	134.9	80%	0.797	78%	0.781	S	S	*	*			trans	-83.4	160.1	-168.4	-71.7	-50	0	0	0	114.4	A730	N728-A730 PolarHBondContact O-N 3.26Å
729	V	26.2	Very low	30.3	Very low	153 Å²	153	135.9 Å²	135.9	93%	0.927	79%	0.787	S	S	*	*			trans	-65.4	122	165.7	177.7	0	0	0	0	110
730	A	31.2	Very low	30.1	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	79%	0.787	S	S	*	*			trans	-115.4	147.3	168.6	0	0	0	0	0	110.2	N728	N728-A730 PolarHBondContact O-N 3.26Å
731	K	30.6	Very low	30	Very low	161 Å²	161	138.8 Å²	138.8	70%	0.7	79%	0.794	S	S	*	*			trans	-72.8	141.8	-177.3	-64.9	-172.7	-179.8	-159.4	0	111.7
732	F	25.4	Very low	30	Very low	210 Å²	210	137.6 Å²	137.6	92%	0.921	79%	0.793	S	S	*	*			trans	-71.2	128.8	156	-88.7	-98.4	0	0	0	109.9
733	S	31	Very low	30	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	79%	0.786	S	S	*	*			trans	-144	115.3	158.7	57.5	0	0	0	0	108.1
734	S	31.4	Very low	30	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	79%	0.788	S	S	*	*			trans	-83.5	136.2	-179.6	49.8	0	0	0	0	111.8
735	T	28.6	Very low	30.2	Very low	119 Å²	119	135.9 Å²	135.9	73%	0.73	78%	0.781	S	S	*	*			trans	50.9	123.4	148.5	56.9	0	0	0	0	117.8
736	N	31.5	Very low	30.4	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	78%	0.782	S	S	*	*				-164.8	151.7	52.4	-120.6	-13.8	0	0	0	115.3
737	S	34.8	Very low	30.4	Very low	86 Å²	86	133.8 Å²	133.8	60%	0.601	78%	0.783	S	S	*	*			trans	25	120.2	149.3	62.4	0	0	0	0	122.3
738	N	30.9	Very low	30.6	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	78%	0.779	S	S	*	*				51.2	118.9	127.1	-53.6	-2.7	0	0	0	120.6
739	C	29.8	Very low	30.7	Very low	130 Å²	130	133.5 Å²	133.5	88%	0.878	78%	0.779	S	S	*	*				-165.5	162	91.2	-106.9	0	0	0	0	112.5
740	N	29.1	Very low	30.9	Very low	159 Å²	159	131.3 Å²	131.3	85%	0.85	77%	0.77	S	S	*	*			trans	-97.3	139.7	-172.4	-52.2	-41.1	0	0	0	112.5
741	S	32.2	Very low	30.8	Very low	107 Å²	107	132 Å²	132	75%	0.748	77%	0.766	S	S	*	*				-179.8	108.9	117.9	54.5	0	0	0	0	110.3
742	T	29.5	Very low	31	Very low	123 Å²	123	132.5 Å²	132.5	76%	0.755	78%	0.775	S	S	*	*				75.8	137.6	89.5	-29.9	0	0	0	0	114.5
743	E	31.3	Very low	31.4	Very low	169 Å²	169	129 Å²	129	79%	0.79	77%	0.766	S	S	*	*			trans	79.2	144.6	167.1	-52.1	-163.2	-176	0	0	118.1
744	I	31.4	Very low	31.3	Very low	143 Å²	143	130.1 Å²	130.1	73%	0.733	77%	0.768	S	S	*	*			cis	-156	164.2	-37.3	-118.6	159.7	0	0	0	106.9
745	S	29.3	Very low	31.5	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	77%	0.769	S	S	*	*			trans	-35.2	141	179	56.8	0	0	0	0	115.8
746	S	33.1	Very low	31.9	Very low	120 Å²	120	131.8 Å²	131.8	84%	0.839	76%	0.764	S	S	*	*				-174	153.9	81.4	42.6	0	0	0	0	113.5
747	S	29.4	Very low	32.1	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	76%	0.764	S	S	*	*			trans	-110.2	139.2	169.1	55.8	0	0	0	0	110
748	T	33.4	Very low	32.2	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	77%	0.769	S	S	*	*				-175	134.6	122.3	27.6	0	0	0	0	113.3
749	K	34	Very low	32.4	Very low	184 Å²	184	133.9 Å²	133.9	80%	0.8	77%	0.773	S	S	*	*			trans	47.5	121.1	136.7	-68.4	-175.3	171.9	-175.5	0	121.6
750	S	31.1	Very low	32.7	Very low	107 Å²	107	130.8 Å²	130.8	75%	0.748	76%	0.763	S	S	*	*				64	156.3	123.5	80.9	0	0	0	0	119.1
751	T	29.8	Very low	32.9	Very low	104 Å²	104	129.9 Å²	129.9	64%	0.638	76%	0.758	S	S	*	*			cis	-148.8	159.6	5.9	-34.2	0	0	0	0	107.6
752	L	33.3	Very low	33	Very low	171 Å²	171	130.6 Å²	130.6	90%	0.895	75%	0.754	S	S	*	*			trans	-168.5	152.4	138.8	-107.4	159.5	0	0	0	111.1
753	D	34.1	Very low	33.1	Very low	137 Å²	137	131.8 Å²	131.8	73%	0.733	75%	0.754	S	S	*	*			trans	-99.5	168.6	-159.8	-60.5	-90.9	0	0	0	114.1
754	T	29.5	Very low	33.2	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	76%	0.757	S	S	*	*			trans	-67.6	149.3	170.7	49.2	0	0	0	0	112.5
755	D	34.8	Very low	33.1	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	76%	0.758	S	S	*	*			trans	-156.3	160.9	155.3	-145.6	-7.1	0	0	0	114.8
756	N	37.6	Very low	33.4	Very low	118 Å²	118	136.9 Å²	136.9	63%	0.631	77%	0.767	S	S	*	*			trans	73.7	88.8	162	-67.1	-65.3	0	0	0	122.8
757	N	35	Very low	33.3	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	77%	0.765	S	S	*	*				63.5	145.7	112.1	-72.8	-48.3	0	0	0	124.2
758	P	37.6	Very low	33.7	Very low	109 Å²	109	141.6 Å²	141.6	71%	0.708	77%	0.771	S	S	*	*			trans	-105	175.5	173	42.4	-35.9	0	0	0	114.3
759	I	36	Very low	33.7	Very low	174 Å²	174	140.4 Å²	140.4	89%	0.892	77%	0.768	S	S	*	*			trans	155.6	146.1	147.8	-84.4	155.7	0	0	0	109.4
760	G	34.3	Very low	33.7	Very low	65 Å²	65	139.6 Å²	139.6	67%	0.67	77%	0.767	S	S	*	*			trans	138.6	83.6	157.6	0	0	0	0	0	119.1
761	D	34.5	Very low	33.8	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	76%	0.764	S	S	*	*				50.4	128.1	122.2	-76.4	37	0	0	0	125.3
762	N	34.9	Very low	34	Very low	123 Å²	123	143.9 Å²	143.9	66%	0.658	77%	0.769	S	S	*	*			trans	75.9	110.7	133.6	-61.5	-33.6	0	0	0	123.2
763	I	30.3	Very low	34.1	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	76%	0.761	S	S	*	*				46	121.3	118.3	-55.3	161.5	0	0	0	118.7
764	I	34.4	Very low	34	Very low	165 Å²	165	142.9 Å²	142.9	85%	0.846	77%	0.767	S	S	*	*				-160.6	145.8	127.7	-103.1	153.4	0	0	0	109.6
765	E	29.1	Very low	34.2	Very low	164 Å²	164	144.7 Å²	144.7	77%	0.766	77%	0.771	S	S	*	*			trans	-83	147.7	171.2	-62	177.5	98.8	0	0	110.7
766	E	35.9	Very low	34.1	Very low	192 Å²	192	146.2 Å²	146.2	90%	0.897	77%	0.773	S	S	*	*			trans	-142.6	138.4	148.7	-159.9	159.2	-139	0	0	111.3
767	K	31.3	Very low	33.9	Very low	181 Å²	181	146 Å²	146	79%	0.787	78%	0.776	S	S	*	*			trans	-108.4	131.3	179.1	-70.3	172.9	-179.7	165.4	0	109.5
768	T	37.1	Very low	33.8	Very low	144 Å²	144	146.5 Å²	146.5	88%	0.883	77%	0.774	S	S	*	*			trans	-134.5	128.2	155.4	45.8	0	0	0	0	110.1
769	S	32.2	Very low	33.4	Very low	104 Å²	104	147 Å²	147	73%	0.727	78%	0.779	S	S	*	*			trans	-105.8	150.9	176.8	49	0	0	0	0	110.6
770	E	34.6	Very low	33.4	Very low	166 Å²	166	145.7 Å²	145.7	78%	0.776	77%	0.774	S	S	*	*				159.3	140.7	122.5	-90	-168.4	163.7	0	0	114
771	L	33.6	Very low	33.4	Very low	131 Å²	131	151.9 Å²	151.9	69%	0.686	78%	0.782	S	S	*	*			trans	58.2	134.9	146.3	-57.3	166.6	0	0	0	118.4
772	K	33.2	Very low	33.4	Very low	170 Å²	170	151 Å²	151	74%	0.739	79%	0.786	S	S	*	*			cis	-169.4	-177.1	28.4	-130.6	161.8	-172.5	176	0	112
773	S	35.3	Very low	33.3	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	79%	0.793	S	S	*	*			trans	60	111.7	-179.6	52.2	0	0	0	0	115
774	E	32.3	Very low	33.6	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	79%	0.79	S	S	*	*			cis	76.3	102.5	34.9	-53	-175.2	132.1	0	0	115.3
775	L	34	Very low	33.5	Very low	176 Å²	176	146.6 Å²	146.6	92%	0.921	79%	0.788	S	S	*	*			trans	-158.7	84.7	154.4	-110.4	161.5	0	0	0	109.5
776	H	33.1	Very low	34.1	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.796	81%	0.813	S	S	*	*			trans	-74.9	163.6	145.7	-76.6	-93	0	0	0	107.6
777	T	33	Very low	34	Very low	114 Å²	114	148.3 Å²	148.3	70%	0.699	81%	0.809	S	S	*	*			cis	-132.4	-164	8.4	-15	0	0	0	0	107.8
778	E	33	Very low	34.1	Very low	153 Å²	153	146.5 Å²	146.5	72%	0.715	81%	0.81	S	S	*	*			cis	-162.1	153.2	32	-146.5	135	-109	0	0	109.2
779	C	29.7	Very low	34	Very low	120 Å²	120	146.7 Å²	146.7	81%	0.811	81%	0.806	S	S	*	*			trans	-153.9	75.9	-178	-168.6	0	0	0	0	110.2	K781	C779-K781 PolarHBondContact O-N 3.41Å
780	D	35.2	Very low	34.1	Very low	147 Å²	147	149.2 Å²	149.2	79%	0.786	81%	0.811	S	S	*	*			trans	-70.8	128.5	-169.2	-89.9	-25.3	0	0	0	113.8
781	K	34.5	Very low	34	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	81%	0.813	S	S	*	*			trans	-114.4	111.8	162.2	-70	179.7	178.7	177.6	0	108.4	C779	C779-K781 PolarHBondContact O-N 3.41Å
782	S	35.7	Very low	34	Very low	120 Å²	120	149.3 Å²	149.3	84%	0.839	82%	0.821	S	S	*	*			trans	-112.7	104.3	166.8	49.5	0	0	0	0	109.7
783	S	30.9	Very low	34.1	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	83%	0.827	S	S	*	*			trans	-143.3	81.6	176.4	65.4	0	0	0	0	110.9
784	S	36.5	Very low	34	Very low	97 Å²	97	151.1 Å²	151.1	68%	0.678	83%	0.834	S	S	*	*			trans	-158.1	102.3	173.6	51.9	0	0	0	0	107
785	T	33.5	Very low	34.2	Very low	131 Å²	131	148.5 Å²	148.5	80%	0.804	83%	0.833	S	S	*	*				57.5	81.2	97.6	63.2	0	0	0	0	113.1
786	D	40.8	Very low	34.2	Very low	243 Å²	243	146 Å²	146	100%	1.299	83%	0.825	S	S	*	*				-141	0	96.1	-88.5	-27.4	0	0	0	109.4

Retrieved 786 of 786 residues in 213.3 ms (Link to these results)

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