A0A3Q0KKJ8_SCHMA Loading...

Dynein axonemal assembly factor 1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KKJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	28.9	Very low	237 Å²	237	152.3 Å²	152.3	100%	1.167	83%	0.829	S	S	*	*				0	114.3	0	-80	170.7	158.9	0	0	106.6
2	S	31.2	Very low	28.9	Very low	123 Å²	123	155.8 Å²	155.8	86%	0.86	83%	0.831	S	S	*	*			trans	-81.7	114.8	175.9	-49.6	0	0	0	0	107	E4	S2-E4 PolarHBondContact O-N 3.19Å
3	V	27.8	Very low	28.9	Very low	123 Å²	123	152.6 Å²	152.6	75%	0.745	83%	0.827	S	S	*	*			trans	-84.9	100.5	176.8	-178.9	0	0	0	0	106.7	V5	V3-V5 HydrophobicContact CG1-CG2 4.04Å; V3-V5 PolarHBondContact O-N 3.04Å
4	E	27.4	Very low	29	Very low	184 Å²	184	153.7 Å²	153.7	86%	0.86	82%	0.823	S	S	*	*			trans	-73.5	110.9	166.7	-78.1	178.2	162.9	0	0	107.7	S2 E6	S2-E4 PolarHBondContact O-N 3.19Å; E4-E6 PolarHBondContact O-N 3.03Å
5	V	26.7	Very low	29.1	Very low	115 Å²	115	154.1 Å²	154.1	70%	0.697	82%	0.823	S	S	*	*			trans	-90.3	99.3	173.1	-179.5	0	0	0	0	106.9	V3 I7	V3-V5 HydrophobicContact CG1-CG2 4.04Å; V3-V5 PolarHBondContact O-N 3.04Å; V5-I7 PolarHBondContact O-N 3.17Å
6	E	26.6	Very low	29.2	Very low	184 Å²	184	153.3 Å²	153.3	86%	0.86	82%	0.818	S	S	*	*			trans	-68.8	110.7	168.4	-83.1	-174	150.4	0	0	109.2	E4 Q8	E4-E6 PolarHBondContact O-N 3.03Å; E6-Q8 PolarHBondContact O-N 3.02Å; E6-Q8 VanDerWaalsContact O-N 3.14Å
7	I	26.8	Very low	29.4	Very low	151 Å²	151	150 Å²	150	77%	0.774	81%	0.81	S	S	*	*			trans	-78	96.7	173.5	-57.3	172.9	0	0	0	107.3	V5 S9	V5-I7 PolarHBondContact O-N 3.17Å; I7-S9 PolarHBondContact O-N 3.38Å
8	Q	25.5	Very low	29.6	Very low	185 Å²	185	152.2 Å²	152.2	86%	0.864	82%	0.815	S	S	*	*			trans	-63.8	113.9	171.4	-111.8	170.6	-4.9	0	0	109.4	E6	E6-Q8 PolarHBondContact O-N 3.02Å; E6-Q8 VanDerWaalsContact O-N 3.14Å
9	S	29.2	Very low	29.7	Very low	99 Å²	99	152.4 Å²	152.4	69%	0.692	82%	0.816	S	S	*	*			trans	-67.6	137.5	172.3	-56.6	0	0	0	0	109.3	I7 N11	I7-S9 PolarHBondContact O-N 3.38Å; S9-N11 PolarHBondContact O-N 2.82Å
10	P	29	Very low	29.8	Very low	115 Å²	115	152.3 Å²	152.3	75%	0.747	82%	0.815	S	S	*	*			trans	-64.9	129.8	-172.6	25	-33.2	0	0	0	111.3	F12	P10-F12 PolarHBondContact O-N 3.2Å; P10-F12 VanDerWaalsContact O-N 3.08Å
11	N	30.7	Very low	29.8	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	81%	0.808	S	S	*	*			trans	-53.2	111.2	175.7	-78.3	-32.5	0	0	0	110.4	S9 C13	S9-N11 PolarHBondContact O-N 2.82Å; N11-C13 PolarHBondContact O-N 3.27Å; N11-C13 VanDerWaalsContact O-N 3.1Å
12	F	29.3	Very low	29.8	Very low	194 Å²	194	147.2 Å²	147.2	85%	0.851	79%	0.792	S	S	*	*			trans	-65.9	105.6	161.7	-95.2	-95.5	0	0	0	107.6	P10 H14	P10-F12 PolarHBondContact O-N 3.2Å; P10-F12 VanDerWaalsContact O-N 3.08Å; F12-H14 PolarHBondContact O-N 3.03Å
13	C	28.3	Very low	29.7	Very low	115 Å²	115	149.9 Å²	149.9	78%	0.777	79%	0.791	S	S	*	*			trans	-62.9	101.8	168.2	-63.5	0	0	0	0	108.3	N11 I15	N11-C13 PolarHBondContact O-N 3.27Å; N11-C13 VanDerWaalsContact O-N 3.1Å; C13-I15 PolarHBondContact O-N 2.99Å
14	H	31	Very low	29.9	Very low	168 Å²	168	149.3 Å²	149.3	78%	0.778	79%	0.792	S	S	*	*			trans	-63.6	112.6	162.8	-89	-68	0	0	0	107.7	F12 D16	F12-H14 PolarHBondContact O-N 3.03Å; H14-D16 VanDerWaalsContact C-N 3.35Å; H14-D16 PolarHBondContact O-N 3.24Å; H14-D16 VanDerWaalsContact O-N 3.12Å
15	I	30.9	Very low	29.8	Very low	159 Å²	159	148.1 Å²	148.1	82%	0.815	79%	0.791	S	S	*	*			trans	-73.7	97.8	166.4	-63.4	170.3	0	0	0	105.2	C13 S17	C13-I15 PolarHBondContact O-N 2.99Å; I15-S17 PolarHBondContact O-N 3.47Å; I15-S17 VanDerWaalsContact O-N 3.1Å
16	D	29.8	Very low	30.1	Very low	141 Å²	141	150.2 Å²	150.2	75%	0.754	80%	0.797	S	S	*	*			trans	-65.8	103.5	168.2	-73.3	-38.8	0	0	0	107.8	H14 E18	H14-D16 VanDerWaalsContact C-N 3.35Å; H14-D16 PolarHBondContact O-N 3.24Å; H14-D16 VanDerWaalsContact O-N 3.12Å; D16-E18 PolarHBondContact O-N 3.13Å
17	S	32.6	Very low	30.1	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	79%	0.792	S	S	*	*			trans	-70.3	96.1	166.1	56.5	0	0	0	0	107.9	I15 N19	I15-S17 PolarHBondContact O-N 3.47Å; I15-S17 VanDerWaalsContact O-N 3.1Å; S17-N19 PolarHBondContact O-N 3.28Å; S17-N19 VanDerWaalsContact O-N 3.16Å
18	E	32.8	Very low	30.1	Very low	189 Å²	189	148.9 Å²	148.9	88%	0.883	80%	0.797	S	S	*	*			trans	-59.3	114.3	169.5	-79.7	179.7	153.5	0	0	109.6	D16 D20	D16-E18 PolarHBondContact O-N 3.13Å; E18-D20 PolarHBondContact O-N 2.97Å
19	N	31.6	Very low	30.4	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	79%	0.794	S	S	*	*			trans	-69.3	110.8	167.1	-74.7	-53.4	0	0	0	108.5	S17	S17-N19 PolarHBondContact O-N 3.28Å; S17-N19 VanDerWaalsContact O-N 3.16Å
20	D	32.9	Very low	30.4	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	80%	0.798	S	S	*	*			trans	-104.8	121.7	163.3	-125.5	-12.3	0	0	0	110.1	E18	E18-D20 PolarHBondContact O-N 2.97Å
21	P	29.8	Very low	30.6	Very low	102 Å²	102	152.3 Å²	152.3	66%	0.662	81%	0.806	S	S	*	*			trans	-92.9	114.1	-173	34.5	-29	0	0	0	110.9
22	H	35.6	Very low	30.4	Very low	181 Å²	181	149.3 Å²	149.3	84%	0.838	80%	0.797	S	S	*	*			trans	-125	78.4	160.3	-86.9	-60.8	0	0	0	110.8	S24	H22-S24 PolarHBondContact O-N 3.22Å
23	E	29.1	Very low	30.2	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	79%	0.791	S	S	*	*			trans	-72	101.3	163.7	-162.1	173.7	-148.2	0	0	108
24	S	31.8	Very low	30.3	Very low	110 Å²	110	146 Å²	146	77%	0.769	79%	0.79	S	S	*	*			trans	-119.1	107.6	166.4	62.2	0	0	0	0	109.7	H22	H22-S24 PolarHBondContact O-N 3.22Å
25	L	26.3	Very low	29.9	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	79%	0.792	S	S	*	*			trans	-65.3	119.9	-179.7	-64.9	153.6	0	0	0	110.6
26	I	31.9	Very low	29.9	Very low	160 Å²	160	147.2 Å²	147.2	82%	0.821	79%	0.789	S	S	*	*			trans	-133.6	134.5	156.8	-60.9	-177.1	0	0	0	107.6
27	P	27	Very low	29.7	Very low	118 Å²	118	147.6 Å²	147.6	77%	0.766	79%	0.791	S	S	*	*			trans	-93	155.4	-145	3.1	16.8	0	0	0	114.1	D29	P27-D29 PolarHBondContact O-N 3.22Å
28	E	26.1	Very low	29.3	Very low	189 Å²	189	148 Å²	148	88%	0.883	79%	0.791	S	S	*	*			trans	-58.4	124.2	170.6	-59.6	-167.8	157.6	0	0	112.6
29	D	33.1	Very low	29	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	79%	0.786	S	S	*	*			trans	-121.1	99	158	-97.5	-33.4	0	0	0	109.8	P27	P27-D29 PolarHBondContact O-N 3.22Å
30	N	29.8	Very low	28.7	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	79%	0.785	S	S	*	*			trans	31.5	94.6	135.6	-71.2	-49.9	0	0	0	118.5
31	I	31.9	Very low	28.4	Very low	176 Å²	176	145.4 Å²	145.4	90%	0.903	79%	0.79	S	S	*	*			trans	-134.7	115.2	140.5	-59.7	-176.8	0	0	0	109.3
32	S	27	Very low	28.2	Very low	97 Å²	97	147 Å²	147	68%	0.678	79%	0.793	S	S	*	*			trans	-79.8	137.8	-173.7	76.7	0	0	0	0	112.6
33	T	25.1	Very low	27.8	Very low	116 Å²	116	145.4 Å²	145.4	71%	0.712	79%	0.79	S	S	*	*			trans	33.6	108.1	138.1	55.2	0	0	0	0	119
34	V	29.8	Very low	27.6	Very low	124 Å²	124	143.2 Å²	143.2	75%	0.752	78%	0.784	S	S	*	*			trans	-142.7	98.8	135	-176.3	0	0	0	0	108.4	N36	V34-N36 PolarHBondContact O-N 3.23Å
35	Y	23.3	Very low	27.4	Very low	212 Å²	212	145.5 Å²	145.5	83%	0.831	79%	0.788	S	S	*	*			trans	-65.5	121.9	159.9	-98.8	-98.7	0	0	0	108.3
36	N	30.4	Very low	27.5	Very low	139 Å²	139	146 Å²	146	74%	0.743	79%	0.791	S	S	*	*			trans	-143.8	85.4	160.3	-87.1	-32.4	0	0	0	107.8	V34	V34-N36 PolarHBondContact O-N 3.23Å
37	D	26	Very low	27.2	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	79%	0.792	S	S	*	*			trans	-79.2	118.4	153.5	-108.8	-32.2	0	0	0	106.8
38	P	25	Very low	27.3	Very low	106 Å²	106	147.6 Å²	147.6	69%	0.688	80%	0.795	S	S	*	*				-142	119.1	123.9	29.6	-11.6	0	0	0	112.1	N40	P38-N40 PolarHBondContact O-N 2.8Å
39	S	24.6	Very low	27.4	Very low	111 Å²	111	147 Å²	147	78%	0.776	80%	0.797	S	S	*	*			trans	-40.1	98.6	146.3	42.6	0	0	0	0	112.8
40	N	26.5	Very low	27.1	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	80%	0.801	S	S	*	*			trans	178.6	78.2	146.3	-108.1	-21.6	0	0	0	111.2	P38	P38-N40 PolarHBondContact O-N 2.8Å
41	I	27.1	Very low	27.2	Very low	178 Å²	178	148.3 Å²	148.3	91%	0.913	80%	0.8	S	S	*	*			trans	-135.9	82.6	157.2	-53.4	178.6	0	0	0	107.2
42	N	25.1	Very low	27.3	Very low	136 Å²	136	147.6 Å²	147.6	73%	0.727	80%	0.799	S	S	*	*			trans	-107.6	121.7	161.2	-169.5	-2.4	0	0	0	105.1
43	L	26	Very low	27.7	Very low	147 Å²	147	148 Å²	148	77%	0.77	80%	0.801	S	S	*	*			trans	164	98	155.9	-87.6	158.4	0	0	0	109.3
44	D	26.4	Very low	28.1	Very low	134 Å²	134	148.4 Å²	148.4	72%	0.717	80%	0.799	S	S	*	*			trans	34.3	96.3	132.9	-60.5	-25.9	0	0	0	117.4
45	N	27.5	Very low	28.6	Very low	158 Å²	158	149 Å²	149	85%	0.845	80%	0.798	S	S	*	*			trans	-169.6	76.1	149.4	-95.4	-27.1	0	0	0	109.8
46	N	27.7	Very low	29.4	Very low	168 Å²	168	146.1 Å²	146.1	90%	0.898	79%	0.792	S	S	*	*			trans	-155.2	48.2	160.5	-102.2	-14.1	0	0	0	111.4
47	N	26.3	Very low	29.5	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	79%	0.786	S	S	*	*			trans	-95.4	92.1	160.8	-76.1	-24.4	0	0	0	107.2
48	N	28.9	Very low	29.9	Very low	156 Å²	156	144.2 Å²	144.2	83%	0.834	78%	0.776	S	S	*	*	S	Bend	trans	-167.5	19.8	162.1	-99.7	-16.6	0	0	0	117.3
49	L	28.1	Very low	30.7	Very low	176 Å²	176	144.7 Å²	144.7	92%	0.921	77%	0.77	S	S	*	*	S	Bend	trans	-133.7	17.2	-178.9	-84.9	163.9	0	0	0	116.5
50	M	26.2	Very low	31.3	Very low	175 Å²	175	144.3 Å²	144.3	86%	0.862	76%	0.762	S	S	*	*			trans	-121.3	18.5	-179.8	-87.4	-70.5	-174.3	0	0	115.5
51	N	31.9	Very low	31.8	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	75%	0.747	S	S	*	*			trans	-93	3	-174.4	-93.8	1.5	0	0	0	117
52	D	34.4	Very low	32.6	Very low	162 Å²	162	138.1 Å²	138.1	87%	0.866	73%	0.731	S	S	*	*	S	Bend	trans	-108.1	13.3	-174	-76.5	-17.9	0	0	0	115.8
53	S	36	Very low	33.4	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	72%	0.722	S	S	*	*	S	Bend	trans	-120.2	0.6	177	-57.3	0	0	0	0	116
54	N	33	Very low	33.9	Very low	126 Å²	126	134.5 Å²	134.5	67%	0.674	71%	0.712	S	S	*	*	S	Bend	trans	-97.4	-3.4	179.4	-96.1	-11.2	0	0	0	115.7
55	N	40.7	Very low	34.7	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-13.6	179.6	-80.5	-14.2	0	0	0	114.6
56	H	39.2	Very low	35.5	Very low	150 Å²	150	131.8 Å²	131.8	69%	0.694	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-17.2	178.5	-115.9	9.5	0	0	0	114.5	E59	H56-E59 IonicContact CE1-OE2 3.93Å; H56-E59 IonicContact ND1-OE2 3.85Å
57	L	32.8	Very low	35.8	Very low	121 Å²	121	129.1 Å²	129.1	63%	0.634	68%	0.681	S	S	*	*	H	α-helix	trans	-80.3	-26.4	177.5	-139.7	124.4	0	0	0	112.4	L61	L57-L61 HydrophobicContact CD2-CD1 4.34Å
58	H	35.8	Very low	36.3	Very low	128 Å²	128	125.4 Å²	125.4	59%	0.593	66%	0.664	S	S	*	*	H	α-helix	trans	-77.8	-21	176.4	-91.3	-59.5	0	0	0	114.2	N62	H58-N62 PolarHBondContact O-N 3.43Å
59	E	40.4	Very low	36.8	Very low	117 Å²	117	123.6 Å²	123.6	55%	0.547	65%	0.654	S	S	.	*	H	α-helix	trans	-81.9	-30.3	179.1	-154.8	170.9	-162.5	0	0	112.2	H56 N63	H56-E59 IonicContact CE1-OE2 3.93Å; H56-E59 IonicContact ND1-OE2 3.85Å; E59-N63 PolarHBondContact O-N 3.48Å; E59-N63 PolarHBondContact O-ND2 3.35Å
60	V	38.4	Very low	37.2	Very low	102 Å²	102	123 Å²	123	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-73.3	-37.4	175.7	-179.6	0	0	0	0	111.5	N63	V60-N63 PolarHBondContact O-N 3.05Å
61	L	37	Very low	37.5	Very low	96 Å²	96	122.2 Å²	122.2	50%	0.503	65%	0.645	S	S	.	*	H	α-helix	trans	-68.4	-36.9	177.8	-76.9	165.3	0	0	0	112.5	L57 N63 L64	L57-L61 HydrophobicContact CD2-CD1 4.34Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.17Å; L61-L64 PolarHBondContact O-N 3.13Å
62	N	43.6	Very low	37.6	Very low	105 Å²	105	123.2 Å²	123.2	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-73.2	-18.6	179.1	-76.4	-9.4	0	0	0	113.9	H58	H58-N62 PolarHBondContact O-N 3.43Å
63	N	41.1	Very low	37.5	Very low	102 Å²	102	123.9 Å²	123.9	55%	0.545	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	-9.6	175.1	-77.6	-36.7	0	0	0	113.5	E59 V60 L61	E59-N63 PolarHBondContact O-N 3.48Å; E59-N63 PolarHBondContact O-ND2 3.35Å; V60-N63 PolarHBondContact O-N 3.05Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.17Å
64	L	37.3	Very low	37.2	Very low	105 Å²	105	124.4 Å²	124.4	55%	0.55	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-25.2	173.8	-79.5	165.3	0	0	0	113	L61 I66 L67	L61-L64 PolarHBondContact O-N 3.13Å; L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 PolarHBondContact O-N 3.35Å; L64-L67 PolarHBondContact O-N 3.18Å
65	D	42.4	Very low	36.9	Very low	111 Å²	111	127 Å²	127	59%	0.594	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-70.1	-25.4	177.8	-79.9	-20	0	0	0	112.6	L67 T68	D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.06Å; D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 PolarHBondContact O-OG1 3.12Å
66	I	43.7	Very low	36.4	Very low	124 Å²	124	126.6 Å²	126.6	64%	0.636	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-75.2	-21.6	-179.3	-59.8	176.5	0	0	0	112.2	L64	L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 PolarHBondContact O-N 3.35Å
67	L	34.4	Very low	35.9	Very low	111 Å²	111	127 Å²	127	58%	0.581	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-85.2	-9.9	178	-77.8	164.9	0	0	0	113.8	L64 D65	L64-L67 PolarHBondContact O-N 3.18Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.06Å
68	T	38.3	Very low	35.8	Very low	79 Å²	79	126.8 Å²	126.8	49%	0.485	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-14.5	-179.3	62.8	0	0	0	0	114.1	D65	D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 PolarHBondContact O-OG1 3.12Å
69	D	39.2	Very low	35.7	Very low	119 Å²	119	125.6 Å²	125.6	64%	0.636	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-20.5	179.1	-89.9	-15.9	0	0	0	114
70	E	36	Very low	35.1	Very low	162 Å²	162	125.7 Å²	125.7	76%	0.757	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-79.7	-20.2	175.2	-71.4	-151	145.2	0	0	113.4	K72	E70-K72 VanDerWaalsContact C-N 3.35Å
71	L	33.2	Very low	35	Very low	160 Å²	160	127.7 Å²	127.7	84%	0.838	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-87.7	2.5	177.7	-65.1	178.7	0	0	0	114.3
72	K	33.7	Very low	34.9	Very low	166 Å²	166	128.7 Å²	128.7	72%	0.722	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-97.7	10.3	178.1	-86.3	-179.2	-179.5	167.5	0	115.2	E70	E70-K72 VanDerWaalsContact C-N 3.35Å
73	K	30.7	Very low	34.6	Very low	177 Å²	177	129.2 Å²	129.2	77%	0.77	70%	0.703	S	S	*	*	S	Bend	trans	-92.3	123.9	169	-75.9	-179.6	-177.6	169.4	0	110.2	L75	K73-L75 PolarHBondContact O-N 3.49Å
74	P	29.8	Very low	34.6	Very low	114 Å²	114	127.7 Å²	127.7	74%	0.74	70%	0.701	S	S	*	*			trans	-62.8	122.9	-178.9	-11.6	24	0	0	0	109.7	T76	P74-T76 PolarHBondContact O-N 3.01Å
75	L	28.3	Very low	34.6	Very low	181 Å²	181	129.2 Å²	129.2	95%	0.948	71%	0.71	S	S	*	*			trans	-63.3	106	167.1	-80.2	156.7	0	0	0	108	K73	K73-L75 PolarHBondContact O-N 3.49Å
76	T	29.9	Very low	34.3	Very low	128 Å²	128	127.9 Å²	127.9	79%	0.785	70%	0.702	S	S	*	*			trans	-75.4	120.5	173	49.4	0	0	0	0	109.7	P74	P74-T76 PolarHBondContact O-N 3.01Å
77	D	28.9	Very low	33.8	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	71%	0.71	S	S	*	*			trans	31.9	104.8	154.1	-76.1	-25.6	0	0	0	118.3
78	S	30.3	Very low	34	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	70%	0.704	S	S	*	*				-177.9	140.8	128.7	36.9	0	0	0	0	112
79	S	32.7	Very low	33.6	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	71%	0.708	S	S	*	*			trans	72.3	73.6	173.5	69.2	0	0	0	0	117	I81	S79-I81 PolarHBondContact O-N 3.5Å; S79-I81 VanDerWaalsContact O-N 3.08Å
80	S	29.4	Very low	33.1	Very low	119 Å²	119	129.3 Å²	129.3	83%	0.832	72%	0.719	S	S	*	*			trans	-56.1	108.1	148.7	52.1	0	0	0	0	108.6	D82	S80-D82 PolarHBondContact O-N 2.98Å
81	I	34.6	Very low	32.9	Very low	144 Å²	144	125.4 Å²	125.4	74%	0.738	72%	0.723	S	S	*	*			trans	-70.1	110.7	172.2	-64.1	167.9	0	0	0	106.9	S79 L83	S79-I81 PolarHBondContact O-N 3.5Å; S79-I81 VanDerWaalsContact O-N 3.08Å; I81-L83 PolarHBondContact O-N 3.5Å
82	D	35.5	Very low	32.9	Very low	117 Å²	117	125.3 Å²	125.3	63%	0.626	71%	0.712	S	S	*	*			trans	-74.7	103.9	-179.9	-169.7	6.6	0	0	0	110.1	S80 S84	S80-D82 PolarHBondContact O-N 2.98Å; D82-S84 PolarHBondContact O-N 2.83Å; D82-S84 WeakPolarHBondContact OD1-CB 3.23Å; D82-S84 PolarHBondContact OD1-N 3.23Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; D82-S84 VanDerWaalsContact OD1-OG 3.1Å; D82-S84 PolarHBondContact OD2-OG 3.19Å
83	L	38.4	Very low	32.6	Very low	115 Å²	115	122.5 Å²	122.5	60%	0.602	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-81.7	5.7	-179.1	-75.2	158.7	0	0	0	112.9	I81 N85 L86	I81-L83 PolarHBondContact O-N 3.5Å; L83-N85 PolarHBondContact O-N 3.29Å; L83-L86 HydrophobicContact CD2-CD1 4.01Å
84	S	39.1	Very low	32.6	Very low	70 Å²	70	119.3 Å²	119.3	49%	0.49	70%	0.704	S	S	.	*	G	3₁₀ helix	trans	-70.4	-13.4	-176.5	69.9	0	0	0	0	114.8	D82	D82-S84 PolarHBondContact O-N 2.83Å; D82-S84 WeakPolarHBondContact OD1-CB 3.23Å; D82-S84 PolarHBondContact OD1-N 3.23Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; D82-S84 VanDerWaalsContact OD1-OG 3.1Å; D82-S84 PolarHBondContact OD2-OG 3.19Å
85	N	37.5	Very low	32.6	Very low	138 Å²	138	120.2 Å²	120.2	74%	0.738	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-105.9	17.3	-169.6	-66.5	-12.2	0	0	0	114.5	L83	L83-N85 PolarHBondContact O-N 3.29Å
86	L	37.6	Very low	32.5	Very low	82 Å²	82	120.1 Å²	120.1	43%	0.429	69%	0.693	S	S	.	*			trans	-74.4	129.7	170.7	-84.8	154.3	0	0	0	110.2	L83 Y88	L83-L86 HydrophobicContact CD2-CD1 4.01Å; L86-Y88 HydrophobicContact CB-CD2 4.24Å; L86-Y88 HydrophobicContact CB-CE2 3.64Å; L86-Y88 VanDerWaalsContact O-CD2 3.25Å; L86-Y88 WeakPolarHBondContact O-CD2 3.42Å; L86-Y88 PolarHBondContact O-N 3.01Å
87	P	33.4	Very low	32.4	Very low	124 Å²	124	121.9 Å²	121.9	81%	0.805	69%	0.692	S	S	*	*			trans	-73.8	101.3	-178.2	29.5	-31.3	0	0	0	109.3
88	Y	36.9	Very low	32.3	Very low	118 Å²	118	121.7 Å²	121.7	46%	0.463	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-97.6	145.1	168.3	-67.2	-82.8	0	0	0	109.7	L86 I94	L86-Y88 HydrophobicContact CB-CD2 4.24Å; L86-Y88 HydrophobicContact CB-CE2 3.64Å; L86-Y88 VanDerWaalsContact O-CD2 3.25Å; L86-Y88 WeakPolarHBondContact O-CD2 3.42Å; L86-Y88 PolarHBondContact O-N 3.01Å; Y88-I94 HydrophobicContact CE2-CD1 4.5Å
89	P	29.7	Very low	32.1	Very low	85 Å²	85	119.6 Å²	119.6	55%	0.552	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-59	158.3	172.5	21.4	-29.2	0	0	0	111.6	G91 Y92	P89-G91 PolarHBondContact O-N 3.13Å; P89-Y92 HydrophobicContact CG-CD2 4.31Å; P89-Y92 HydrophobicContact CG-CE2 4.05Å; P89-Y92 WeakPolarHBondContact O-CD2 3.32Å
90	P	30.2	Very low	31.7	Very low	136 Å²	136	120 Å²	120	88%	0.883	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	131.2	-178.2	-23.4	32.8	0	0	0	112.4
91	G	31.4	Very low	31.5	Very low	81 Å²	81	120.3 Å²	120.3	84%	0.835	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	119.9	-2.5	175.7	0	0	0	0	0	116	P89	P89-G91 PolarHBondContact O-N 3.13Å
92	Y	32.6	Very low	31	Very low	157 Å²	157	119.1 Å²	119.1	62%	0.616	69%	0.692	S	S	*	*			trans	-105.8	140.5	179.6	-65.8	-93.9	0	0	0	111.7	P89	P89-Y92 HydrophobicContact CG-CD2 4.31Å; P89-Y92 HydrophobicContact CG-CE2 4.05Å; P89-Y92 WeakPolarHBondContact O-CD2 3.32Å
93	S	28.1	Very low	30.3	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	70%	0.702	S	S	*	*			trans	-134	128.7	172.7	46.3	0	0	0	0	109.5	I95	S93-I95 PolarHBondContact O-N 2.75Å
94	I	30.6	Very low	29.7	Very low	110 Å²	110	121.8 Å²	121.8	56%	0.564	71%	0.71	S	S	*	*			trans	-73.7	116.6	174.6	-61.8	172.5	0	0	0	107.8	Y88 K96	Y88-I94 HydrophobicContact CE2-CD1 4.5Å; I94-K96 PolarHBondContact O-N 3.29Å
95	I	29.3	Very low	28.9	Very low	133 Å²	133	126.7 Å²	126.7	68%	0.682	73%	0.726	S	S	*	*			trans	-79.8	111.6	170.6	-57.9	174.2	0	0	0	107.3	S93 Q97	S93-I95 PolarHBondContact O-N 2.75Å; I95-Q97 PolarHBondContact O-N 2.76Å
96	K	26	Very low	28.4	Very low	180 Å²	180	126.9 Å²	126.9	78%	0.783	73%	0.727	S	S	*	*			trans	-62	130.5	177.5	-71.1	-176.3	176.1	-176.9	0	110.8	I94 N98	I94-K96 PolarHBondContact O-N 3.29Å; K96-N98 PolarHBondContact O-N 2.77Å
97	Q	28.5	Very low	28	Very low	164 Å²	164	131 Å²	131	77%	0.766	74%	0.744	S	S	*	*			trans	-76.2	110.7	165.9	-67.2	-121.9	-23.8	0	0	109.1	I95	I95-Q97 PolarHBondContact O-N 2.76Å
98	N	26.7	Very low	27.8	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	74%	0.742	S	S	*	*			trans	-74.6	123.4	167.4	-77.4	-20.1	0	0	0	108.2	K96	K96-N98 PolarHBondContact O-N 2.77Å
99	G	25.6	Very low	27.5	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	76%	0.758	S	S	*	*			trans	-73.3	179	-168.7	0	0	0	0	0	116.9
100	S	23.8	Very low	27.6	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	77%	0.772	S	S	*	*			trans	67.3	100.7	161.4	-158.6	0	0	0	0	116.7
101	S	27	Very low	27.9	Very low	125 Å²	125	136.2 Å²	136.2	87%	0.874	75%	0.751	S	S	*	*			trans	-140.7	125	147.1	-75.8	0	0	0	0	109.1
102	T	22.3	Very low	28.2	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	74%	0.743	S	S	*	*			trans	-67.8	133.2	-172.7	43.7	0	0	0	0	111.7	T104	T102-T104 PolarHBondContact O-N 3.28Å
103	I	22.4	Very low	28.6	Very low	162 Å²	162	138.2 Å²	138.2	83%	0.831	75%	0.748	S	S	*	*			trans	-57.7	115.6	169.7	-60.3	162.9	0	0	0	108.4
104	T	24.9	Very low	29.5	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	74%	0.739	S	S	*	*			trans	-117.5	106.9	161.3	44.7	0	0	0	0	107.8	T102 N106	T102-T104 PolarHBondContact O-N 3.28Å; T104-N106 PolarHBondContact O-N 2.92Å
105	E	23.2	Very low	30.3	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	75%	0.748	S	S	*	*			trans	-57.9	114.8	163.9	-67.1	173.3	152.6	0	0	108.2
106	N	26.4	Very low	31.2	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	74%	0.738	S	S	*	*			trans	-170.1	112.9	150	-93.8	-37.2	0	0	0	111.6	T104	T104-N106 PolarHBondContact O-N 2.92Å
107	Q	28.9	Very low	32.5	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	73%	0.733	S	S	*	*			trans	53.4	121.4	137.8	-55.2	-166	-4.3	0	0	120.1
108	H	28.3	Very low	33.9	Very low	164 Å²	164	135.4 Å²	135.4	76%	0.759	73%	0.732	S	S	*	*			trans	83.9	107.3	147	-105.8	-61.2	0	0	0	118.1	K110	H108-K110 PolarHBondContact O-N 3.17Å
109	D	31.1	Very low	35.4	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.2	99.5	163.4	-59.4	-55.2	0	0	0	113.1
110	K	33.3	Very low	37.8	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.5	-6.7	145.9	-99.9	174.5	-175.1	-171	0	114	H108	H108-K110 PolarHBondContact O-N 3.17Å
111	S	36.2	Very low	40.4	Very low	63 Å²	63	135.4 Å²	135.4	44%	0.441	70%	0.698	S	S	.	*	S	Bend	trans	-90.6	-14.4	-178.8	51.5	0	0	0	0	115.4	E113 T114	S111-E113 VanDerWaalsContact C-N 3.27Å; S111-E113 PolarHBondContact O-N 2.87Å; S111-T114 PolarHBondContact O-N 3.15Å; S111-T114 VanDerWaalsContact O-N 3.13Å; S111-T114 PolarHBondContact O-OG1 3.17Å
112	N	36.9	Very low	43.4	Very low	124 Å²	124	132.6 Å²	132.6	66%	0.663	68%	0.676	S	S	*	*	H	α-helix	trans	-68.9	-23.3	-175.8	-74	0.6	0	0	0	113.7	T114	N112-T114 VanDerWaalsContact C-N 3.32Å
113	E	41.3	Very low	46.7	Very low	155 Å²	155	130.2 Å²	130.2	72%	0.724	65%	0.654	S	S	*	*	H	α-helix	trans	-69.5	-31.7	174.1	-69	-175.7	171.9	0	0	111.7	S111 E117	S111-E113 VanDerWaalsContact C-N 3.27Å; S111-E113 PolarHBondContact O-N 2.87Å; E113-E117 WeakPolarHBondContact O-CG 3.36Å; E113-E117 PolarHBondContact O-N 3.16Å
114	T	46.6	Very low	50.1	Low	91 Å²	91	122.5 Å²	122.5	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-84	-29.5	-170.7	-14.5	0	0	0	0	113.5	S111 N112	S111-T114 PolarHBondContact O-N 3.15Å; S111-T114 VanDerWaalsContact O-N 3.13Å; S111-T114 PolarHBondContact O-OG1 3.17Å; N112-T114 VanDerWaalsContact C-N 3.32Å
115	E	47.6	Very low	53.4	Low	160 Å²	160	119 Å²	119	75%	0.748	59%	0.593	S	S	*	*	H	α-helix	trans	-78.5	-30	179.1	-67.4	-165.6	171.4	0	0	112.5
116	E	49.1	Very low	56.7	Low	103 Å²	103	114.9 Å²	114.9	48%	0.481	57%	0.573	S	S	.	*	H	α-helix	trans	-86.4	-20.9	179.4	-66.5	-168.1	158.9	0	0	114.7	N118 S119 R123	E116-N118 PolarHBondContact O-N 2.92Å; E116-S119 WeakPolarHBondContact O-CB 3.43Å; E116-S119 PolarHBondContact O-N 3.42Å; E116-S119 VanDerWaalsContact O-N 3.14Å; E116-R123 IonicContact OE2-CZ 2.77Å; E116-R123 IonicContact OE2-NH1 3.88Å; E116-R123 PolarHBondContact OE2-NH1 3.28Å; E116-R123 IonicContact OE2-NH2 2.8Å; E116-R123 PolarHBondContact OE2-NH2 3.14Å; E116-R123 VanDerWaalsContact OE2-NH2 3.17Å
117	E	53.1	Low	59.9	Low	143 Å²	143	115.2 Å²	115.2	67%	0.668	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-18.7	176.2	-88.6	-169.1	170.6	0	0	113.3	E113 S119	E113-E117 WeakPolarHBondContact O-CG 3.36Å; E113-E117 PolarHBondContact O-N 3.16Å; E117-S119 PolarHBondContact O-N 3.34Å
118	N	56.1	Low	63.1	Low	139 Å²	139	109.7 Å²	109.7	74%	0.743	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.7	176.8	-72.7	-41.8	0	0	0	113.8	E116 K120	E116-N118 PolarHBondContact O-N 2.92Å; N118-K120 PolarHBondContact O-N 3.28Å
119	S	59.3	Low	66.3	Low	55 Å²	55	102 Å²	102	39%	0.385	51%	0.505	S	S	.	.			trans	-64.6	127.9	170.8	-175.4	0	0	0	0	109.9	E116 E117 E121	E116-S119 WeakPolarHBondContact O-CB 3.43Å; E116-S119 PolarHBondContact O-N 3.42Å; E116-S119 VanDerWaalsContact O-N 3.14Å; E117-S119 PolarHBondContact O-N 3.34Å; S119-E121 PolarHBondContact O-N 2.91Å; S119-E121 WeakPolarHBondContact OG-CB 3.46Å; S119-E121 PolarHBondContact OG-N 3.03Å
120	K	75.4	Confident	69.2	Low	214 Å²	214	99.5 Å²	99.5	93%	0.93	49%	0.487	S	S	*	.			trans	-72.5	-4	173.5	-70.4	-178.6	179.9	175.9	0	112.7	N118	N118-K120 PolarHBondContact O-N 3.28Å
121	E	79.8	Confident	72.1	Confident	70 Å²	70	95.7 Å²	95.7	33%	0.327	47%	0.472	S	S	.	.	S	Bend	trans	-80.1	142.9	-178.7	-62	176.5	-177.3	0	0	110.9	S119 R123	S119-E121 PolarHBondContact O-N 2.91Å; S119-E121 WeakPolarHBondContact OG-CB 3.46Å; S119-E121 PolarHBondContact OG-N 3.03Å; E121-R123 PolarHBondContact O-N 2.94Å
122	P	88.6	Confident	74.8	Confident	66 Å²	66	93.7 Å²	93.7	43%	0.429	46%	0.456	S	S	.	.			trans	-65.2	123.1	176.1	27	-32.6	0	0	0	110.5	N153 G154	P122-N153 VanDerWaalsContact CB-O 3.31Å; P122-N153 WeakPolarHBondContact CB-O 3.41Å; P122-N153 VanDerWaalsContact CG-O 3.25Å; P122-N153 WeakPolarHBondContact CG-O 3.49Å; P122-G154 WeakPolarHBondContact CG-O 3.32Å
123	R	92	Very high	77.5	Confident	69 Å²	69	87.8 Å²	87.8	26%	0.26	42%	0.424	S	S	.	.			trans	-110.3	145.9	177.4	-74.9	-169.9	65.8	171.5	11	112.6	E116 E121 T125 F155 E159	E116-R123 IonicContact OE2-CZ 2.77Å; E116-R123 IonicContact OE2-NH1 3.88Å; E116-R123 PolarHBondContact OE2-NH1 3.28Å; E116-R123 IonicContact OE2-NH2 2.8Å; E116-R123 PolarHBondContact OE2-NH2 3.14Å; E116-R123 VanDerWaalsContact OE2-NH2 3.17Å; E121-R123 PolarHBondContact O-N 2.94Å; R123-T125 HydrophobicContact CB-CG2 4.11Å; R123-T125 PolarHBondContact O-N 3.28Å; R123-F155 VanDerWaalsContact C-CE1 3.49Å; R123-E159 IonicContact CZ-OE1 2.99Å; R123-E159 IonicContact CZ-OE2 2.81Å; R123-E159 IonicContact NE-OE1 2.66Å; R123-E159 PolarHBondContact NE-OE1 2.96Å; R123-E159 IonicContact NE-OE2 3.98Å; R123-E159 IonicContact NH2-OE1 3.1Å; R123-E159 PolarHBondContact NH2-OE1 2.75Å; R123-E159 IonicContact NH2-OE2 3.92Å; R123-E159 PolarHBondContact NH2-OE2 3.16Å
124	M	93.2	Very high	79.9	Confident	1 Å²	1	83.7 Å²	83.7	1%	0.005	42%	0.417	C	S	.	.			trans	-81.7	69.3	178.4	-173.5	154.5	61.2	0	0	111	L129 L150 F155 I158 E159 N160 L161	M124-L129 HydrophobicContact CG-CD1 4.14Å; M124-L129 HydrophobicContact CG-CD2 3.81Å; M124-L129 HydrophobicContact CG-CG 4.02Å; M124-L129 HydrophobicContact SD-CD2 4.02Å; M124-L150 HydrophobicContact SD-CD1 3.48Å; M124-L150 WeakPolarHBondContact SD-CD1 3.44Å; M124-L150 HydrophobicContact SD-CD2 4.35Å; M124-L150 HydrophobicContact SD-CG 4.36Å; M124-F155 HydrophobicContact CB-CD1 3.91Å; M124-F155 HydrophobicContact CB-CD2 4.2Å; M124-F155 HydrophobicContact CB-CE1 3.9Å; M124-F155 HydrophobicContact CB-CE2 4.16Å; M124-F155 HydrophobicContact CB-CG 4.08Å; M124-F155 HydrophobicContact CB-CZ 4.02Å; M124-F155 HydrophobicContact CG-CE2 4.19Å; M124-F155 HydrophobicContact CG-CZ 4.23Å; M124-F155 HydrophobicContact SD-CD2 4.01Å; M124-F155 HydrophobicContact SD-CE2 3.87Å; M124-F155 HydrophobicContact SD-CZ 4.49Å; M124-I158 VanDerWaalsContact CE-CA 3.43Å; M124-I158 HydrophobicContact CE-CB 4.06Å; M124-I158 HydrophobicContact CE-CG2 3.73Å; M124-E159 HydrophobicContact CB-CG 4.06Å; M124-E159 VanDerWaalsContact CE-O 3.26Å; M124-E159 WeakPolarHBondContact CE-O 3.41Å; M124-N160 WeakPolarHBondContact O-CB 3.31Å; M124-N160 PolarHBondContact O-ND2 3.27Å; M124-L161 HydrophobicContact CE-CD1 4.19Å; M124-L161 HydrophobicContact CE-CG 4.21Å
125	T	94.6	Very high	82.1	Confident	52 Å²	52	87.7 Å²	87.7	32%	0.319	43%	0.427	S	S	.	.			trans	-78.8	155.8	-179.2	63.4	0	0	0	0	112.3	R123 K127 F128 L129	R123-T125 HydrophobicContact CB-CG2 4.11Å; R123-T125 PolarHBondContact O-N 3.28Å; T125-K127 PolarHBondContact O-N 3.31Å; T125-F128 WeakPolarHBondContact O-CA 3.37Å; T125-F128 WeakPolarHBondContact O-CB 3.44Å; T125-F128 PolarHBondContact O-N 3.37Å; T125-F128 WeakPolarHBondContact OG1-CB 3.41Å; T125-F128 PolarHBondContact OG1-N 3.48Å; T125-F128 VanDerWaalsContact OG1-N 3.13Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.84Å
126	K	93.9	Very high	84.3	Confident	87 Å²	87	83.3 Å²	83.3	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-55.1	-35	172	-65.8	-170.1	178.8	-158.3	0	113.1	L129 K130 N160 E163	K126-L129 PolarHBondContact O-N 3.1Å; K126-K130 WeakPolarHBondContact O-CG 3.18Å; K126-K130 PolarHBondContact O-N 2.85Å; K126-N160 HydrophobicContact CG-CB 3.79Å; K126-E163 IonicContact NZ-OE1 3.66Å; K126-E163 PolarHBondContact NZ-OE1 3.08Å
127	K	93.4	Very high	86.3	Confident	149 Å²	149	87.8 Å²	87.8	65%	0.648	43%	0.426	S	S	*	.	H	α-helix	trans	-65.8	-45.9	175.9	-176.8	-180	177.5	-177.5	0	111	T125 K130 Q131	T125-K127 PolarHBondContact O-N 3.31Å; K127-K130 PolarHBondContact O-N 3.42Å; K127-Q131 VanDerWaalsContact O-CG 3.32Å; K127-Q131 WeakPolarHBondContact O-CG 3.19Å; K127-Q131 PolarHBondContact O-N 3.37Å
128	F	95.1	Very high	88.2	Confident	53 Å²	53	82.9 Å²	82.9	23%	0.232	40%	0.404	C	S	.	.	H	α-helix	trans	-57.3	-51.9	173.4	172.9	-85.5	0	0	0	110.4	T125 K130 Q131 H132 L150 N153 F155	T125-F128 WeakPolarHBondContact O-CA 3.37Å; T125-F128 WeakPolarHBondContact O-CB 3.44Å; T125-F128 PolarHBondContact O-N 3.37Å; T125-F128 WeakPolarHBondContact OG1-CB 3.41Å; T125-F128 PolarHBondContact OG1-N 3.48Å; T125-F128 VanDerWaalsContact OG1-N 3.13Å; F128-K130 VanDerWaalsContact C-N 3.33Å; F128-K130 PolarHBondContact O-N 2.99Å; F128-Q131 PolarHBondContact O-N 3.07Å; F128-Q131 VanDerWaalsContact O-N 3.12Å; F128-H132 HydrophobicContact CD1-CB 4.19Å; F128-H132 HydrophobicContact CE1-CB 3.72Å; F128-H132 AromaticContact CE1-CG 3.86Å; F128-H132 AromaticContact CE1-ND1 3.81Å; F128-H132 HydrophobicContact CZ-CB 4.04Å; F128-H132 AromaticContact CZ-ND1 3.59Å; F128-H132 WeakPolarHBondContact O-CB 3.19Å; F128-H132 PolarHBondContact O-N 2.75Å; F128-L150 HydrophobicContact CE1-CD2 3.95Å; F128-N153 HydrophobicContact CZ-CB 4.44Å; F128-N153 WeakPolarHBondContact CZ-OD1 3.25Å; F128-F155 HydrophobicContact CD1-CE1 4.48Å; F128-F155 AromaticContact CD1-CZ 3.75Å; F128-F155 HydrophobicContact CD1-CZ 3.75Å; F128-F155 HydrophobicContact CE1-CE1 4.44Å; F128-F155 HydrophobicContact CE1-CE2 4.1Å; F128-F155 AromaticContact CE1-CZ 3.42Å; F128-F155 HydrophobicContact CE1-CZ 3.42Å; F128-F155 VanDerWaalsContact CE1-CZ 3.42Å; F128-F155 HydrophobicContact CE2-CZ 4.26Å; F128-F155 HydrophobicContact CG-CZ 4.36Å; F128-F155 HydrophobicContact CZ-CE2 4.47Å; F128-F155 AromaticContact CZ-CZ 3.68Å; F128-F155 HydrophobicContact CZ-CZ 3.68Å
129	L	95.2	Very high	90	Very high	1 Å²	1	81.2 Å²	81.2	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-57.7	-43.5	-177.1	-70.1	173.9	0	0	0	112.3	M124 T125 K126 H132 C133 L150 N160 L161 Y164	M124-L129 HydrophobicContact CG-CD1 4.14Å; M124-L129 HydrophobicContact CG-CD2 3.81Å; M124-L129 HydrophobicContact CG-CG 4.02Å; M124-L129 HydrophobicContact SD-CD2 4.02Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.84Å; K126-L129 PolarHBondContact O-N 3.1Å; L129-H132 PolarHBondContact O-N 3.25Å; L129-C133 WeakPolarHBondContact O-CB 3.49Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 3.29Å; L129-L150 HydrophobicContact CD2-CD1 4.03Å; L129-L150 HydrophobicContact CD2-CD2 3.63Å; L129-L150 HydrophobicContact CD2-CG 4.48Å; L129-N160 HydrophobicContact CD1-CB 3.9Å; L129-N160 WeakPolarHBondContact CD1-O 3.19Å; L129-L161 HydrophobicContact CD1-CD2 3.96Å; L129-L161 HydrophobicContact CD2-CD2 4.24Å; L129-Y164 HydrophobicContact CB-CE2 4.34Å; L129-Y164 HydrophobicContact CD1-CE2 3.95Å
130	K	92.6	Very high	91.3	Very high	99 Å²	99	85.9 Å²	85.9	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-45	175.5	-72.9	176.7	-178.9	-179.7	0	112.7	K126 K127 F128 H132 C133 A134	K126-K130 WeakPolarHBondContact O-CG 3.18Å; K126-K130 PolarHBondContact O-N 2.85Å; K127-K130 PolarHBondContact O-N 3.42Å; F128-K130 VanDerWaalsContact C-N 3.33Å; F128-K130 PolarHBondContact O-N 2.99Å; K130-H132 VanDerWaalsContact C-N 3.34Å; K130-C133 PolarHBondContact O-N 3.21Å; K130-A134 WeakPolarHBondContact O-CB 3.26Å; K130-A134 PolarHBondContact O-N 2.84Å
131	Q	93.5	Very high	92.2	Very high	116 Å²	116	79.2 Å²	79.2	54%	0.542	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-40.1	177.4	-72.4	-180	-0.7	0	0	111.8	K127 F128 A134 K135	K127-Q131 VanDerWaalsContact O-CG 3.32Å; K127-Q131 WeakPolarHBondContact O-CG 3.19Å; K127-Q131 PolarHBondContact O-N 3.37Å; F128-Q131 PolarHBondContact O-N 3.07Å; F128-Q131 VanDerWaalsContact O-N 3.12Å; Q131-A134 PolarHBondContact O-N 2.93Å; Q131-K135 WeakPolarHBondContact O-CB 3.38Å; Q131-K135 PolarHBondContact O-N 3.39Å
132	H	93.9	Very high	92.8	Very high	20 Å²	20	76.3 Å²	76.3	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-47.2	177.3	-179.2	95	0	0	0	110.8	F128 L129 K130 A134 K135 N136 Y149	F128-H132 HydrophobicContact CD1-CB 4.19Å; F128-H132 HydrophobicContact CE1-CB 3.72Å; F128-H132 AromaticContact CE1-CG 3.86Å; F128-H132 AromaticContact CE1-ND1 3.81Å; F128-H132 HydrophobicContact CZ-CB 4.04Å; F128-H132 AromaticContact CZ-ND1 3.59Å; F128-H132 WeakPolarHBondContact O-CB 3.19Å; F128-H132 PolarHBondContact O-N 2.75Å; L129-H132 PolarHBondContact O-N 3.25Å; K130-H132 VanDerWaalsContact C-N 3.34Å; H132-A134 PolarHBondContact O-N 3Å; H132-K135 PolarHBondContact O-N 3.22Å; H132-N136 PolarHBondContact CE1-ND2 3.44Å; H132-N136 PolarHBondContact NE2-ND2 2.89Å; H132-N136 WeakPolarHBondContact O-CB 3.42Å; H132-N136 PolarHBondContact O-N 3.49Å; H132-Y149 PolarHBondContact CE1-O 3.26Å; H132-Y149 PolarHBondContact NE2-O 3.5Å
133	C	93.6	Very high	93	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-46.2	174.8	-68.7	0	0	0	0	111.3	L129 K130 K135 N136 K137 L138 Y164	L129-C133 WeakPolarHBondContact O-CB 3.49Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 3.29Å; K130-C133 PolarHBondContact O-N 3.21Å; C133-K135 PolarHBondContact O-N 3.14Å; C133-N136 CarbonylContact O-C 3.52Å; C133-N136 PolarHBondContact O-N 3.4Å; C133-K137 PolarHBondContact O-N 2.7Å; C133-K137 VanDerWaalsContact O-N 3.07Å; C133-L138 HydrophobicContact CB-CB 3.9Å; C133-L138 PolarHBondContact O-N 2.89Å; C133-Y164 PolarHBondContact SG-OH 3.05Å
134	A	92.4	Very high	93.1	Very high	69 Å²	69	77.4 Å²	77.4	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-61.5	-42.2	177	0	0	0	0	0	112.6	K130 Q131 H132 N136 K137	K130-A134 WeakPolarHBondContact O-CB 3.26Å; K130-A134 PolarHBondContact O-N 2.84Å; Q131-A134 PolarHBondContact O-N 2.93Å; H132-A134 PolarHBondContact O-N 3Å; A134-N136 VanDerWaalsContact C-N 3.35Å; A134-N136 PolarHBondContact O-N 3.19Å; A134-K137 PolarHBondContact O-N 3.26Å
135	K	92.7	Very high	93.3	Very high	176 Å²	176	77.5 Å²	77.5	77%	0.765	37%	0.374	S	S	*	.	H	α-helix	trans	-63.6	-40.3	177.6	-176.8	-177.2	175.5	-171.7	0	111.9	Q131 H132 C133 K137	Q131-K135 WeakPolarHBondContact O-CB 3.38Å; Q131-K135 PolarHBondContact O-N 3.39Å; H132-K135 PolarHBondContact O-N 3.22Å; C133-K135 PolarHBondContact O-N 3.14Å; K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 PolarHBondContact O-N 3.43Å
136	N	92.4	Very high	93.3	Very high	67 Å²	67	78.1 Å²	78.1	36%	0.358	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	13.7	-178	-69.8	-28.1	0	0	0	113.6	H132 C133 A134 L138	H132-N136 PolarHBondContact CE1-ND2 3.44Å; H132-N136 PolarHBondContact NE2-ND2 2.89Å; H132-N136 WeakPolarHBondContact O-CB 3.42Å; H132-N136 PolarHBondContact O-N 3.49Å; C133-N136 CarbonylContact O-C 3.52Å; C133-N136 PolarHBondContact O-N 3.4Å; A134-N136 VanDerWaalsContact C-N 3.35Å; A134-N136 PolarHBondContact O-N 3.19Å; N136-L138 HydrophobicContact CB-CD1 4.44Å; N136-L138 HydrophobicContact CB-CG 4.24Å; N136-L138 PolarHBondContact O-N 3.37Å
137	K	91.6	Very high	93.4	Very high	198 Å²	198	76.2 Å²	76.2	86%	0.861	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	30.8	178.1	-52.5	176.6	-178.1	174.7	0	113.4	C133 A134 K135	C133-K137 PolarHBondContact O-N 2.7Å; C133-K137 VanDerWaalsContact O-N 3.07Å; A134-K137 PolarHBondContact O-N 3.26Å; K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 PolarHBondContact O-N 3.43Å
138	L	93.3	Very high	93.6	Very high	40 Å²	40	69.1 Å²	69.1	21%	0.209	34%	0.338	C	S	.	.			trans	-86.1	167.2	172.1	-61.3	-179.8	0	0	0	110.3	C133 N136 Q140 N145 L148	C133-L138 HydrophobicContact CB-CB 3.9Å; C133-L138 PolarHBondContact O-N 2.89Å; N136-L138 HydrophobicContact CB-CD1 4.44Å; N136-L138 HydrophobicContact CB-CG 4.24Å; N136-L138 PolarHBondContact O-N 3.37Å; L138-Q140 PolarHBondContact O-N 2.77Å; L138-N145 WeakPolarHBondContact CB-OD1 3.37Å; L138-L148 HydrophobicContact CD1-CD1 3.75Å
139	Y	92.8	Very high	93.7	Very high	104 Å²	104	70.4 Å²	70.4	41%	0.408	34%	0.342	S	S	.	.			trans	-66	132.4	178.3	-65.2	-81.3	0	0	0	110.5	T141 L144 N145	Y139-T141 PolarHBondContact O-N 2.84Å; Y139-L144 HydrophobicContact CD1-CB 4.2Å; Y139-L144 HydrophobicContact CD1-CD1 4.1Å; Y139-L144 HydrophobicContact CD2-CB 3.81Å; Y139-L144 WeakPolarHBondContact CD2-O 3.41Å; Y139-L144 HydrophobicContact CE2-CB 4.43Å; Y139-L144 HydrophobicContact CG-CB 3.67Å; Y139-L144 HydrophobicContact CG-CD1 4.37Å; Y139-N145 WeakPolarHBondContact CB-OD1 3.16Å; Y139-N145 PolarHBondContact N-OD1 3.48Å; Y139-N145 PolarHBondContact O-ND2 3.42Å; Y139-N145 PolarHBondContact O-OD1 3.37Å
140	Q	88.1	Confident	93.7	Very high	153 Å²	153	70.4 Å²	70.4	72%	0.715	34%	0.341	S	S	*	.	S	Bend	trans	-64.4	-28	172.2	-172.6	175.7	-0.4	0	0	111.7	L138 P142	L138-Q140 PolarHBondContact O-N 2.77Å; Q140-P142 VanDerWaalsContact O-CD 3.32Å; Q140-P142 WeakPolarHBondContact O-CD 3.49Å
141	T	92.9	Very high	93.9	Very high	73 Å²	73	68.6 Å²	68.6	45%	0.448	34%	0.335	S	S	.	.	S	Bend	trans	-78.3	110.8	171.9	-52.9	0	0	0	0	109.6	Y139 Q143 L144 N145	Y139-T141 PolarHBondContact O-N 2.84Å; T141-Q143 VanDerWaalsContact C-N 3.32Å; T141-Q143 PolarHBondContact O-N 3.05Å; T141-L144 HydrophobicContact CG2-CD1 4.24Å; T141-L144 HydrophobicContact CG2-CG 4.05Å; T141-L144 PolarHBondContact O-N 2.84Å; T141-L144 VanDerWaalsContact O-N 3.15Å; T141-N145 PolarHBondContact O-ND2 2.88Å
142	P	92.9	Very high	93.9	Very high	10 Å²	10	70.6 Å²	70.6	7%	0.065	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-54.5	-41.3	-172.3	-30.8	39	0	0	0	114.9	Q140 L144 N145 E163 Y164	Q140-P142 VanDerWaalsContact O-CD 3.32Å; Q140-P142 WeakPolarHBondContact O-CD 3.49Å; P142-L144 PolarHBondContact O-N 3.07Å; P142-L144 VanDerWaalsContact O-N 3.17Å; P142-N145 PolarHBondContact O-N 3.18Å; P142-N145 VanDerWaalsContact O-N 3.16Å; P142-N145 PolarHBondContact O-ND2 3.42Å; P142-E163 HydrophobicContact CB-CB 3.68Å; P142-E163 HydrophobicContact CG-CB 4Å; P142-Y164 HydrophobicContact CB-CD1 4.02Å; P142-Y164 HydrophobicContact CB-CD2 3.84Å; P142-Y164 HydrophobicContact CB-CE1 3.95Å; P142-Y164 HydrophobicContact CB-CE2 3.75Å; P142-Y164 HydrophobicContact CB-CG 3.97Å; P142-Y164 HydrophobicContact CG-CE2 4.2Å; P142-Y164 WeakPolarHBondContact O-CD1 3.22Å
143	Q	93.2	Very high	93.9	Very high	68 Å²	68	71.5 Å²	71.5	32%	0.318	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-67.5	-15	-175.5	-60.6	74.4	13.3	0	0	113.5	T141 E163 N166	T141-Q143 VanDerWaalsContact C-N 3.32Å; T141-Q143 PolarHBondContact O-N 3.05Å; Q143-E163 VanDerWaalsContact CD-O 3.28Å; Q143-E163 VanDerWaalsContact CG-O 3.23Å; Q143-E163 WeakPolarHBondContact CG-O 3.44Å; Q143-E163 PolarHBondContact N-O 3.02Å; Q143-E163 PolarHBondContact NE2-O 2.91Å; Q143-N166 WeakPolarHBondContact O-CB 3.5Å; Q143-N166 PolarHBondContact O-ND2 2.92Å
144	L	95.1	Very high	93.9	Very high	90 Å²	90	73.3 Å²	73.3	47%	0.471	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-91.6	-4.6	179.2	-62.3	-177.1	0	0	0	112.8	Y139 T141 P142	Y139-L144 HydrophobicContact CD1-CB 4.2Å; Y139-L144 HydrophobicContact CD1-CD1 4.1Å; Y139-L144 HydrophobicContact CD2-CB 3.81Å; Y139-L144 WeakPolarHBondContact CD2-O 3.41Å; Y139-L144 HydrophobicContact CE2-CB 4.43Å; Y139-L144 HydrophobicContact CG-CB 3.67Å; Y139-L144 HydrophobicContact CG-CD1 4.37Å; T141-L144 HydrophobicContact CG2-CD1 4.24Å; T141-L144 HydrophobicContact CG2-CG 4.05Å; T141-L144 PolarHBondContact O-N 2.84Å; T141-L144 VanDerWaalsContact O-N 3.15Å; P142-L144 PolarHBondContact O-N 3.07Å; P142-L144 VanDerWaalsContact O-N 3.17Å
145	N	95.5	Very high	94.1	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.011	34%	0.336	C	S	.	.			trans	-86.3	118.4	179.3	-64.3	-56.8	0	0	0	110.4	L138 Y139 T141 P142 Y164 L167	L138-N145 WeakPolarHBondContact CB-OD1 3.37Å; Y139-N145 WeakPolarHBondContact CB-OD1 3.16Å; Y139-N145 PolarHBondContact N-OD1 3.48Å; Y139-N145 PolarHBondContact O-ND2 3.42Å; Y139-N145 PolarHBondContact O-OD1 3.37Å; T141-N145 PolarHBondContact O-ND2 2.88Å; P142-N145 PolarHBondContact O-N 3.18Å; P142-N145 VanDerWaalsContact O-N 3.16Å; P142-N145 PolarHBondContact O-ND2 3.42Å; N145-Y164 HydrophobicContact CB-CD1 4.21Å; N145-Y164 HydrophobicContact CB-CE1 4.35Å; N145-L167 HydrophobicContact CB-CD2 4.36Å; N145-L167 VanDerWaalsContact O-CD2 3.31Å; N145-L167 WeakPolarHBondContact O-CD2 3.43Å
146	D	95.9	Very high	94.2	Very high	66 Å²	66	63.5 Å²	63.5	35%	0.353	31%	0.311	S	S	.	.	S	Bend	trans	-88.5	-26	173.9	-75.2	14	0	0	0	111.9	K168 C169	D146-K168 HydrophobicContact CB-CD 4.32Å; D146-K168 PolarHBondContact O-N 2.83Å; D146-K168 IonicContact OD2-NZ 3.73Å; D146-K168 PolarHBondContact OD2-NZ 3.16Å; D146-C169 PolarHBondContact O-N 3.45Å; D146-C169 VanDerWaalsContact O-N 3.08Å
147	I	96.6	Very high	94.3	Very high	46 Å²	46	66.2 Å²	66.2	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.6	-177.3	-53.1	179.8	0	0	0	109	Y149 C169 F171	I147-Y149 HydrophobicContact CG2-CD2 4.48Å; I147-Y149 HydrophobicContact CG2-CE1 4.1Å; I147-Y149 HydrophobicContact CG2-CE2 3.85Å; I147-C169 WeakPolarHBondContact CA-O 3.35Å; I147-C169 HydrophobicContact CG1-CB 4.12Å; I147-C169 HydrophobicContact CG2-CB 4.22Å; I147-F171 HydrophobicContact CG2-CD2 4.18Å; I147-F171 HydrophobicContact CG2-CE2 3.84Å
148	L	97.1	Very high	94.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.3	179.2	-169.9	63.1	0	0	0	111.9	L138 L150 L161 Y164 L167 C169 L170 F171	L138-L148 HydrophobicContact CD1-CD1 3.75Å; L148-L150 HydrophobicContact CD2-CD1 3.53Å; L148-L150 HydrophobicContact CD2-CG 4.09Å; L148-L150 HydrophobicContact CG-CD1 3.88Å; L148-L150 HydrophobicContact CG-CD2 4.39Å; L148-L150 HydrophobicContact CG-CG 3.89Å; L148-L161 HydrophobicContact CD2-CD2 3.83Å; L148-Y164 HydrophobicContact CD1-CE1 4.24Å; L148-Y164 HydrophobicContact CD2-CD1 3.96Å; L148-Y164 HydrophobicContact CD2-CE1 3.99Å; L148-Y164 HydrophobicContact CD2-CG 4.41Å; L148-L167 HydrophobicContact CB-CD1 4.33Å; L148-L167 HydrophobicContact CB-CD2 3.57Å; L148-L167 HydrophobicContact CD2-CD1 4.14Å; L148-C169 PolarHBondContact N-O 3.08Å; L148-C169 VanDerWaalsContact N-O 3.1Å; L148-L170 HydrophobicContact CB-CD1 4.12Å; L148-L170 HydrophobicContact CD2-CD1 4.35Å; L148-L170 HydrophobicContact CG-CD1 4.47Å; L148-F171 PolarHBondContact O-N 3.24Å
149	Y	95.9	Very high	94.7	Very high	81 Å²	81	57.2 Å²	57.2	32%	0.318	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	83.4	-172.1	-63.1	-75.4	0	0	0	112.9	H132 I147 H151 F171	H132-Y149 PolarHBondContact CE1-O 3.26Å; H132-Y149 PolarHBondContact NE2-O 3.5Å; I147-Y149 HydrophobicContact CG2-CD2 4.48Å; I147-Y149 HydrophobicContact CG2-CE1 4.1Å; I147-Y149 HydrophobicContact CG2-CE2 3.85Å; Y149-H151 AromaticContact CD1-CE1 3.76Å; Y149-F171 HydrophobicContact CD1-CB 4.25Å; Y149-F171 AromaticContact CD1-CD2 3.43Å; Y149-F171 HydrophobicContact CD1-CD2 3.43Å; Y149-F171 VanDerWaalsContact CD1-CD2 3.43Å; Y149-F171 AromaticContact CD1-CE2 3.89Å; Y149-F171 HydrophobicContact CD1-CE2 3.89Å; Y149-F171 AromaticContact CD1-CG 3.89Å; Y149-F171 HydrophobicContact CD1-CG 3.89Å; Y149-F171 AromaticContact CE1-CD2 3.5Å; Y149-F171 HydrophobicContact CE1-CD2 3.5Å; Y149-F171 VanDerWaalsContact CE1-CD2 3.5Å; Y149-F171 AromaticContact CE1-CE2 3.43Å; Y149-F171 HydrophobicContact CE1-CE2 3.43Å; Y149-F171 VanDerWaalsContact CE1-CE2 3.43Å; Y149-F171 HydrophobicContact CE1-CG 4.23Å; Y149-F171 HydrophobicContact CE1-CZ 4.13Å; Y149-F171 HydrophobicContact CG-CD2 4.38Å
150	L	96.6	Very high	94.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.			trans	-104.2	18.1	-176	-63.2	168.7	0	0	0	113.8	M124 F128 L129 L148 N153 F155 L161 L170 F171 L172 N175	M124-L150 HydrophobicContact SD-CD1 3.48Å; M124-L150 WeakPolarHBondContact SD-CD1 3.44Å; M124-L150 HydrophobicContact SD-CD2 4.35Å; M124-L150 HydrophobicContact SD-CG 4.36Å; F128-L150 HydrophobicContact CE1-CD2 3.95Å; L129-L150 HydrophobicContact CD2-CD1 4.03Å; L129-L150 HydrophobicContact CD2-CD2 3.63Å; L129-L150 HydrophobicContact CD2-CG 4.48Å; L148-L150 HydrophobicContact CD2-CD1 3.53Å; L148-L150 HydrophobicContact CD2-CG 4.09Å; L148-L150 HydrophobicContact CG-CD1 3.88Å; L148-L150 HydrophobicContact CG-CD2 4.39Å; L148-L150 HydrophobicContact CG-CG 3.89Å; L150-N153 WeakPolarHBondContact CA-ND2 3.31Å; L150-N153 PolarHBondContact O-ND2 3.44Å; L150-F155 HydrophobicContact CB-CE2 4.32Å; L150-F155 HydrophobicContact CD2-CE2 4.28Å; L150-L161 HydrophobicContact CD1-CD2 4.15Å; L150-L170 HydrophobicContact CD1-CD1 3.98Å; L150-F171 CarbonylContact C-O 3.25Å; L150-F171 VanDerWaalsContact C-O 3.26Å; L150-F171 WeakPolarHBondContact CA-O 3.36Å; L150-F171 WeakPolarHBondContact CB-O 3.19Å; L150-F171 PolarHBondContact N-O 3.29Å; L150-L172 HydrophobicContact CB-CD2 3.6Å; L150-L172 HydrophobicContact CB-CG 4.39Å; L150-L172 HydrophobicContact CD1-CD2 4.24Å; L150-N175 PolarHBondContact O-ND2 3.38Å
151	H	95.4	Very high	95.2	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.287	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	155.1	173.3	50.9	-130.5	0	0	0	113.5	Y149 N153 F171 E173	Y149-H151 AromaticContact CD1-CE1 3.76Å; H151-N153 VanDerWaalsContact C-N 3.33Å; H151-N153 PolarHBondContact O-N 3.29Å; H151-N153 PolarHBondContact O-ND2 2.91Å; H151-F171 PolarHBondContact N-O 3.09Å; H151-E173 CarbonylContact C-O 3.54Å; H151-E173 WeakPolarHBondContact CA-O 3.4Å; H151-E173 HydrophobicContact CB-CB 4.27Å; H151-E173 VanDerWaalsContact CB-O 3.28Å; H151-E173 WeakPolarHBondContact CB-O 3.31Å; H151-E173 IonicContact ND1-OE2 2.68Å
152	Y	94.5	Very high	95.3	Very high	157 Å²	157	46.4 Å²	46.4	62%	0.616	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	32.6	173.3	-49.9	-79.5	0	0	0	115.8	E173 V174	Y152-E173 PolarHBondContact N-O 3.41Å; Y152-V174 WeakPolarHBondContact CA-O 3.48Å; Y152-V174 HydrophobicContact CD1-CB 3.49Å; Y152-V174 VanDerWaalsContact CD1-CB 3.49Å; Y152-V174 HydrophobicContact CD1-CG1 3.57Å; Y152-V174 HydrophobicContact CD1-CG2 3.93Å; Y152-V174 HydrophobicContact CE1-CB 3.56Å; Y152-V174 HydrophobicContact CE1-CG1 3.82Å; Y152-V174 HydrophobicContact CE1-CG2 3.41Å; Y152-V174 VanDerWaalsContact CE1-CG2 3.41Å; Y152-V174 HydrophobicContact CG-CB 4.28Å; Y152-V174 PolarHBondContact N-O 3.38Å
153	N	94.8	Very high	95.5	Very high	40 Å²	40	48.9 Å²	48.9	21%	0.214	24%	0.24	C	C	.	.	S	Bend	trans	-107	-8.1	179.8	-65.8	-63.3	0	0	0	113.7	P122 F128 L150 H151 F155 N175	P122-N153 VanDerWaalsContact CB-O 3.31Å; P122-N153 WeakPolarHBondContact CB-O 3.41Å; P122-N153 VanDerWaalsContact CG-O 3.25Å; P122-N153 WeakPolarHBondContact CG-O 3.49Å; F128-N153 HydrophobicContact CZ-CB 4.44Å; F128-N153 WeakPolarHBondContact CZ-OD1 3.25Å; L150-N153 WeakPolarHBondContact CA-ND2 3.31Å; L150-N153 PolarHBondContact O-ND2 3.44Å; H151-N153 VanDerWaalsContact C-N 3.33Å; H151-N153 PolarHBondContact O-N 3.29Å; H151-N153 PolarHBondContact O-ND2 2.91Å; N153-F155 VanDerWaalsContact C-N 3.32Å; N153-F155 HydrophobicContact CB-CD1 4.24Å; N153-F155 HydrophobicContact CB-CD2 3.72Å; N153-F155 HydrophobicContact CB-CE1 3.84Å; N153-F155 HydrophobicContact CB-CE2 3.29Å; N153-F155 HydrophobicContact CB-CG 4.17Å; N153-F155 HydrophobicContact CB-CZ 3.35Å; N153-N175 PolarHBondContact N-OD1 3.44Å; N153-N175 VanDerWaalsContact N-OD1 3.09Å
154	G	93.4	Very high	95.6	Very high	38 Å²	38	46 Å²	46	39%	0.392	23%	0.226	S	C	.	.			trans	73.7	19.1	178.7	0	0	0	0	0	114.4	P122 S156 N175	P122-G154 WeakPolarHBondContact CG-O 3.32Å; G154-S156 PolarHBondContact O-N 3.04Å; G154-N175 PolarHBondContact N-OD1 3.38Å
155	F	96.3	Very high	95.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	22%	0.217	C	C	.	.			trans	-63.1	134.7	-177.4	-61.2	-45.4	0	0	0	112.1	R123 M124 F128 L150 N153 N175 G176 L177	R123-F155 VanDerWaalsContact C-CE1 3.49Å; M124-F155 HydrophobicContact CB-CD1 3.91Å; M124-F155 HydrophobicContact CB-CD2 4.2Å; M124-F155 HydrophobicContact CB-CE1 3.9Å; M124-F155 HydrophobicContact CB-CE2 4.16Å; M124-F155 HydrophobicContact CB-CG 4.08Å; M124-F155 HydrophobicContact CB-CZ 4.02Å; M124-F155 HydrophobicContact CG-CE2 4.19Å; M124-F155 HydrophobicContact CG-CZ 4.23Å; M124-F155 HydrophobicContact SD-CD2 4.01Å; M124-F155 HydrophobicContact SD-CE2 3.87Å; M124-F155 HydrophobicContact SD-CZ 4.49Å; F128-F155 HydrophobicContact CD1-CE1 4.48Å; F128-F155 AromaticContact CD1-CZ 3.75Å; F128-F155 HydrophobicContact CD1-CZ 3.75Å; F128-F155 HydrophobicContact CE1-CE1 4.44Å; F128-F155 HydrophobicContact CE1-CE2 4.1Å; F128-F155 AromaticContact CE1-CZ 3.42Å; F128-F155 HydrophobicContact CE1-CZ 3.42Å; F128-F155 VanDerWaalsContact CE1-CZ 3.42Å; F128-F155 HydrophobicContact CE2-CZ 4.26Å; F128-F155 HydrophobicContact CG-CZ 4.36Å; F128-F155 HydrophobicContact CZ-CE2 4.47Å; F128-F155 AromaticContact CZ-CZ 3.68Å; F128-F155 HydrophobicContact CZ-CZ 3.68Å; L150-F155 HydrophobicContact CB-CE2 4.32Å; L150-F155 HydrophobicContact CD2-CE2 4.28Å; N153-F155 VanDerWaalsContact C-N 3.32Å; N153-F155 HydrophobicContact CB-CD1 4.24Å; N153-F155 HydrophobicContact CB-CD2 3.72Å; N153-F155 HydrophobicContact CB-CE1 3.84Å; N153-F155 HydrophobicContact CB-CE2 3.29Å; N153-F155 HydrophobicContact CB-CG 4.17Å; N153-F155 HydrophobicContact CB-CZ 3.35Å; F155-N175 HydrophobicContact CB-CB 4.47Å; F155-N175 PolarHBondContact N-OD1 3.23Å; F155-N175 VanDerWaalsContact N-OD1 3.16Å; F155-G176 CarbonylContact O-C 3.33Å; F155-G176 VanDerWaalsContact O-CA 3.3Å; F155-G176 WeakPolarHBondContact O-CA 3.36Å; F155-G176 PolarHBondContact O-N 3.35Å; F155-L177 HydrophobicContact CB-CD2 4.3Å; F155-L177 PolarHBondContact O-N 3.01Å
156	S	93.7	Very high	95.6	Very high	36 Å²	36	47.1 Å²	47.1	25%	0.252	24%	0.235	S	C	.	.	S	Bend	trans	-87.5	-21	175.3	55.8	0	0	0	0	113.5	G154	G154-S156 PolarHBondContact O-N 3.04Å
157	K	95.3	Very high	95.7	Very high	124 Å²	124	44 Å²	44	54%	0.539	22%	0.218	S	C	.	.	S	Bend	trans	-144.6	151.9	179.7	-63.9	-178.8	-175.7	172.4	0	111.6
158	I	96.4	Very high	95.7	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.056	22%	0.224	C	C	.	.			trans	-87.5	120.9	168.9	-56.2	172.3	0	0	0	108.4	M124 L161 L172 L177 D181 L183 L194	M124-I158 VanDerWaalsContact CE-CA 3.43Å; M124-I158 HydrophobicContact CE-CB 4.06Å; M124-I158 HydrophobicContact CE-CG2 3.73Å; I158-L161 HydrophobicContact CG2-CD1 3.72Å; I158-L161 HydrophobicContact CG2-CG 4.47Å; I158-L172 HydrophobicContact CD1-CD1 3.59Å; I158-L172 HydrophobicContact CG1-CD1 3.99Å; I158-L177 HydrophobicContact CD1-CD1 3.99Å; I158-L177 HydrophobicContact CG1-CD1 3.8Å; I158-L177 HydrophobicContact CG1-CD2 3.78Å; I158-L177 HydrophobicContact CG1-CG 4.43Å; I158-D181 WeakPolarHBondContact CB-O 3.31Å; I158-D181 WeakPolarHBondContact CG2-O 3.29Å; I158-L183 HydrophobicContact CD1-CD1 4.09Å; I158-L183 HydrophobicContact CD1-CG 4.23Å; I158-L183 HydrophobicContact CG2-CD2 3.79Å; I158-L183 HydrophobicContact CG2-CG 4.14Å; I158-L194 HydrophobicContact CD1-CD2 4.35Å
159	E	95.5	Very high	95.8	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	23%	0.227	C	C	.	.			trans	-152.6	163.6	-178.7	55.8	179.2	-177	0	0	110.7	R123 M124 L161	R123-E159 IonicContact CZ-OE1 2.99Å; R123-E159 IonicContact CZ-OE2 2.81Å; R123-E159 IonicContact NE-OE1 2.66Å; R123-E159 PolarHBondContact NE-OE1 2.96Å; R123-E159 IonicContact NE-OE2 3.98Å; R123-E159 IonicContact NH2-OE1 3.1Å; R123-E159 PolarHBondContact NH2-OE1 2.75Å; R123-E159 IonicContact NH2-OE2 3.92Å; R123-E159 PolarHBondContact NH2-OE2 3.16Å; M124-E159 HydrophobicContact CB-CG 4.06Å; M124-E159 VanDerWaalsContact CE-O 3.26Å; M124-E159 WeakPolarHBondContact CE-O 3.41Å; E159-L161 VanDerWaalsContact C-N 3.27Å; E159-L161 PolarHBondContact O-N 3.32Å
160	N	96	Very high	95.9	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.203	21%	0.212	C	C	.	.	S	Bend	trans	66	20	174.3	-61.2	-67.1	0	0	0	115.8	M124 K126 L129 E162	M124-N160 WeakPolarHBondContact O-CB 3.31Å; M124-N160 PolarHBondContact O-ND2 3.27Å; K126-N160 HydrophobicContact CG-CB 3.79Å; L129-N160 HydrophobicContact CD1-CB 3.9Å; L129-N160 WeakPolarHBondContact CD1-O 3.19Å; N160-E162 VanDerWaalsContact C-OE2 3.23Å; N160-E162 WeakPolarHBondContact CA-OE2 3.34Å; N160-E162 PolarHBondContact N-OE1 3.01Å
161	L	96.5	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.			trans	-93.9	8.6	175.7	-64.5	-177.6	0	0	0	113.1	M124 L129 L148 L150 I158 E159 E163 Y164 L170 L183 Q186	M124-L161 HydrophobicContact CE-CD1 4.19Å; M124-L161 HydrophobicContact CE-CG 4.21Å; L129-L161 HydrophobicContact CD1-CD2 3.96Å; L129-L161 HydrophobicContact CD2-CD2 4.24Å; L148-L161 HydrophobicContact CD2-CD2 3.83Å; L150-L161 HydrophobicContact CD1-CD2 4.15Å; I158-L161 HydrophobicContact CG2-CD1 3.72Å; I158-L161 HydrophobicContact CG2-CG 4.47Å; E159-L161 VanDerWaalsContact C-N 3.27Å; E159-L161 PolarHBondContact O-N 3.32Å; L161-E163 PolarHBondContact O-N 2.77Å; L161-E163 VanDerWaalsContact O-N 3.13Å; L161-Y164 HydrophobicContact CD2-CD2 3.98Å; L161-Y164 HydrophobicContact CD2-CE2 4.43Å; L161-Y164 HydrophobicContact CD2-CG 4.36Å; L161-Y164 PolarHBondContact O-N 3.1Å; L161-L170 HydrophobicContact CD1-CD2 4.08Å; L161-L183 HydrophobicContact CD1-CD2 3.73Å; L161-Q186 PolarHBondContact O-NE2 2.76Å
162	E	95.8	Very high	96.1	Very high	65 Å²	65	41 Å²	41	30%	0.304	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	-172.4	-52.6	77.3	-162.1	0	0	112.6	N160 N185	N160-E162 VanDerWaalsContact C-OE2 3.23Å; N160-E162 WeakPolarHBondContact CA-OE2 3.34Å; N160-E162 PolarHBondContact N-OE1 3.01Å; E162-N185 WeakPolarHBondContact CA-ND2 3.44Å; E162-N185 PolarHBondContact O-ND2 2.79Å
163	E	95.4	Very high	96.2	Very high	62 Å²	62	34.9 Å²	34.9	29%	0.29	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.2	-179.8	-64.6	176.3	-123.8	0	0	113.1	K126 P142 Q143 L161 T165	K126-E163 IonicContact NZ-OE1 3.66Å; K126-E163 PolarHBondContact NZ-OE1 3.08Å; P142-E163 HydrophobicContact CB-CB 3.68Å; P142-E163 HydrophobicContact CG-CB 4Å; Q143-E163 VanDerWaalsContact CD-O 3.28Å; Q143-E163 VanDerWaalsContact CG-O 3.23Å; Q143-E163 WeakPolarHBondContact CG-O 3.44Å; Q143-E163 PolarHBondContact N-O 3.02Å; Q143-E163 PolarHBondContact NE2-O 2.91Å; L161-E163 PolarHBondContact O-N 2.77Å; L161-E163 VanDerWaalsContact O-N 3.13Å; E163-T165 VanDerWaalsContact C-N 3.32Å; E163-T165 PolarHBondContact O-N 3.27Å
164	Y	96.2	Very high	96.4	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	18%	0.18	C	C	.	.			trans	-92.6	57.8	-176.7	-71.1	-96.5	0	0	0	111.4	L129 C133 P142 N145 L148 L161 N166 L167 Q186	L129-Y164 HydrophobicContact CB-CE2 4.34Å; L129-Y164 HydrophobicContact CD1-CE2 3.95Å; C133-Y164 PolarHBondContact SG-OH 3.05Å; P142-Y164 HydrophobicContact CB-CD1 4.02Å; P142-Y164 HydrophobicContact CB-CD2 3.84Å; P142-Y164 HydrophobicContact CB-CE1 3.95Å; P142-Y164 HydrophobicContact CB-CE2 3.75Å; P142-Y164 HydrophobicContact CB-CG 3.97Å; P142-Y164 HydrophobicContact CG-CE2 4.2Å; P142-Y164 WeakPolarHBondContact O-CD1 3.22Å; N145-Y164 HydrophobicContact CB-CD1 4.21Å; N145-Y164 HydrophobicContact CB-CE1 4.35Å; L148-Y164 HydrophobicContact CD1-CE1 4.24Å; L148-Y164 HydrophobicContact CD2-CD1 3.96Å; L148-Y164 HydrophobicContact CD2-CE1 3.99Å; L148-Y164 HydrophobicContact CD2-CG 4.41Å; L161-Y164 HydrophobicContact CD2-CD2 3.98Å; L161-Y164 HydrophobicContact CD2-CE2 4.43Å; L161-Y164 HydrophobicContact CD2-CG 4.36Å; L161-Y164 PolarHBondContact O-N 3.1Å; Y164-N166 PolarHBondContact O-N 2.75Å; Y164-L167 HydrophobicContact CD1-CD1 4.43Å; Y164-L167 HydrophobicContact CG-CD1 4.31Å; Y164-Q186 PolarHBondContact O-NE2 3.06Å
165	T	94.6	Very high	96.5	Very high	46 Å²	46	33.2 Å²	33.2	28%	0.282	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.4	-168.3	58.5	0	0	0	0	114.7	E163 N185	E163-T165 VanDerWaalsContact C-N 3.32Å; E163-T165 PolarHBondContact O-N 3.27Å; T165-N185 HydrophobicContact CG2-CB 4.49Å
166	N	95.2	Very high	96.5	Very high	70 Å²	70	34.2 Å²	34.2	37%	0.374	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	13.8	-173.8	-64.1	-20	0	0	0	113.4	Q143 Y164 K168	Q143-N166 WeakPolarHBondContact O-CB 3.5Å; Q143-N166 PolarHBondContact O-ND2 2.92Å; Y164-N166 PolarHBondContact O-N 2.75Å; N166-K168 PolarHBondContact O-N 2.94Å
167	L	97.5	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.			trans	-60.4	127.3	176.8	-73.6	173.8	0	0	0	110.2	N145 L148 Y164 Q186 E188 L189	N145-L167 HydrophobicContact CB-CD2 4.36Å; N145-L167 VanDerWaalsContact O-CD2 3.31Å; N145-L167 WeakPolarHBondContact O-CD2 3.43Å; L148-L167 HydrophobicContact CB-CD1 4.33Å; L148-L167 HydrophobicContact CB-CD2 3.57Å; L148-L167 HydrophobicContact CD2-CD1 4.14Å; Y164-L167 HydrophobicContact CD1-CD1 4.43Å; Y164-L167 HydrophobicContact CG-CD1 4.31Å; L167-Q186 HydrophobicContact CB-CG 4.38Å; L167-Q186 HydrophobicContact CD1-CG 4.16Å; L167-E188 CarbonylContact O-C 3.26Å; L167-E188 VanDerWaalsContact O-C 3.25Å; L167-L189 HydrophobicContact CB-CD1 4.01Å; L167-L189 WeakPolarHBondContact O-CA 3.3Å; L167-L189 PolarHBondContact O-N 3.03Å; L167-L189 VanDerWaalsContact O-N 3.16Å
168	K	97.9	Very high	96.7	Very high	84 Å²	84	31.3 Å²	31.3	37%	0.365	16%	0.163	S	C	.	.	S	Bend	trans	-101.3	-30.6	172.5	-65.4	172.7	-173.7	156.7	0	111.3	D146 N166 R190 S191	D146-K168 HydrophobicContact CB-CD 4.32Å; D146-K168 PolarHBondContact O-N 2.83Å; D146-K168 IonicContact OD2-NZ 3.73Å; D146-K168 PolarHBondContact OD2-NZ 3.16Å; N166-K168 PolarHBondContact O-N 2.94Å; K168-R190 WeakPolarHBondContact O-CA 3.43Å; K168-R190 WeakPolarHBondContact O-CB 3.43Å; K168-R190 PolarHBondContact O-N 3.47Å; K168-S191 PolarHBondContact O-N 3.32Å
169	C	98.3	Very high	96.8	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.7	-178.3	-170	0	0	0	0	111.2	D146 I147 L148 F171 S191	D146-C169 PolarHBondContact O-N 3.45Å; D146-C169 VanDerWaalsContact O-N 3.08Å; I147-C169 WeakPolarHBondContact CA-O 3.35Å; I147-C169 HydrophobicContact CG1-CB 4.12Å; I147-C169 HydrophobicContact CG2-CB 4.22Å; L148-C169 PolarHBondContact N-O 3.08Å; L148-C169 VanDerWaalsContact N-O 3.1Å; C169-F171 HydrophobicContact CB-CE2 4.49Å; C169-F171 WeakPolarHBondContact SG-CE2 3.35Å; C169-S191 WeakPolarHBondContact CA-O 3.25Å
170	L	98.4	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.4	-177.6	179.8	58.4	0	0	0	110.6	L148 L150 L161 L172 L183 L189 S191 L192 Y193	L148-L170 HydrophobicContact CB-CD1 4.12Å; L148-L170 HydrophobicContact CD2-CD1 4.35Å; L148-L170 HydrophobicContact CG-CD1 4.47Å; L150-L170 HydrophobicContact CD1-CD1 3.98Å; L161-L170 HydrophobicContact CD1-CD2 4.08Å; L170-L172 HydrophobicContact CD1-CD1 4.41Å; L170-L172 HydrophobicContact CD1-CG 4.23Å; L170-L172 HydrophobicContact CD2-CD1 3.7Å; L170-L172 HydrophobicContact CD2-CG 4.39Å; L170-L172 HydrophobicContact CG-CD1 3.87Å; L170-L172 HydrophobicContact CG-CG 4.04Å; L170-L183 HydrophobicContact CD2-CD1 4.44Å; L170-L183 HydrophobicContact CD2-CD2 3.54Å; L170-L189 HydrophobicContact CB-CD1 3.82Å; L170-L189 HydrophobicContact CB-CD2 4.41Å; L170-S191 PolarHBondContact N-O 3.25Å; L170-L192 HydrophobicContact CB-CD1 4.08Å; L170-L192 HydrophobicContact CD2-CD1 3.97Å; L170-L192 HydrophobicContact CG-CD1 4.09Å; L170-Y193 PolarHBondContact O-N 3.01Å
171	F	98.3	Very high	96.8	Very high	35 Å²	35	34.6 Å²	34.6	15%	0.154	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.5	178.1	-66.8	-87.3	0	0	0	109.5	I147 L148 Y149 L150 H151 C169 E173 Y193	I147-F171 HydrophobicContact CG2-CD2 4.18Å; I147-F171 HydrophobicContact CG2-CE2 3.84Å; L148-F171 PolarHBondContact O-N 3.24Å; Y149-F171 HydrophobicContact CD1-CB 4.25Å; Y149-F171 AromaticContact CD1-CD2 3.43Å; Y149-F171 HydrophobicContact CD1-CD2 3.43Å; Y149-F171 VanDerWaalsContact CD1-CD2 3.43Å; Y149-F171 AromaticContact CD1-CE2 3.89Å; Y149-F171 HydrophobicContact CD1-CE2 3.89Å; Y149-F171 AromaticContact CD1-CG 3.89Å; Y149-F171 HydrophobicContact CD1-CG 3.89Å; Y149-F171 AromaticContact CE1-CD2 3.5Å; Y149-F171 HydrophobicContact CE1-CD2 3.5Å; Y149-F171 VanDerWaalsContact CE1-CD2 3.5Å; Y149-F171 AromaticContact CE1-CE2 3.43Å; Y149-F171 HydrophobicContact CE1-CE2 3.43Å; Y149-F171 VanDerWaalsContact CE1-CE2 3.43Å; Y149-F171 HydrophobicContact CE1-CG 4.23Å; Y149-F171 HydrophobicContact CE1-CZ 4.13Å; Y149-F171 HydrophobicContact CG-CD2 4.38Å; L150-F171 CarbonylContact C-O 3.25Å; L150-F171 VanDerWaalsContact C-O 3.26Å; L150-F171 WeakPolarHBondContact CA-O 3.36Å; L150-F171 WeakPolarHBondContact CB-O 3.19Å; L150-F171 PolarHBondContact N-O 3.29Å; H151-F171 PolarHBondContact N-O 3.09Å; C169-F171 HydrophobicContact CB-CE2 4.49Å; C169-F171 WeakPolarHBondContact SG-CE2 3.35Å; F171-E173 WeakPolarHBondContact CA-OE2 3.38Å; F171-E173 VanDerWaalsContact CB-OE2 3.24Å; F171-E173 WeakPolarHBondContact CB-OE2 3.3Å; F171-E173 VanDerWaalsContact CD1-OE1 3.29Å; F171-E173 WeakPolarHBondContact CD1-OE1 3.4Å; F171-Y193 AromaticContact CD1-CD2 3.64Å; F171-Y193 HydrophobicContact CD1-CD2 3.64Å; F171-Y193 HydrophobicContact CD1-CE2 4.26Å; F171-Y193 HydrophobicContact CD1-CG 4.08Å; F171-Y193 AromaticContact CE1-CD2 3.52Å; F171-Y193 HydrophobicContact CE1-CD2 3.52Å; F171-Y193 AromaticContact CE1-CE2 3.66Å; F171-Y193 HydrophobicContact CE1-CE2 3.66Å; F171-Y193 HydrophobicContact CE1-CG 4.15Å; F171-Y193 HydrophobicContact CG-CD2 4.28Å; F171-Y193 HydrophobicContact CZ-CD2 4.08Å; F171-Y193 AromaticContact CZ-CE2 3.9Å; F171-Y193 HydrophobicContact CZ-CE2 3.9Å
172	L	98.1	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.			trans	-131.2	22	-179.5	-78.4	166.8	0	0	0	111.4	L150 I158 L170 N175 L177 L192 Y193 L194 N197	L150-L172 HydrophobicContact CB-CD2 3.6Å; L150-L172 HydrophobicContact CB-CG 4.39Å; L150-L172 HydrophobicContact CD1-CD2 4.24Å; I158-L172 HydrophobicContact CD1-CD1 3.59Å; I158-L172 HydrophobicContact CG1-CD1 3.99Å; L170-L172 HydrophobicContact CD1-CD1 4.41Å; L170-L172 HydrophobicContact CD1-CG 4.23Å; L170-L172 HydrophobicContact CD2-CD1 3.7Å; L170-L172 HydrophobicContact CD2-CG 4.39Å; L170-L172 HydrophobicContact CG-CD1 3.87Å; L170-L172 HydrophobicContact CG-CG 4.04Å; L172-N175 PolarHBondContact O-ND2 2.9Å; L172-L177 HydrophobicContact CB-CD1 4.15Å; L172-L177 HydrophobicContact CD1-CD1 4.35Å; L172-L177 HydrophobicContact CD2-CD1 4.43Å; L172-L192 HydrophobicContact CD1-CD1 4.37Å; L172-Y193 CarbonylContact C-O 3.26Å; L172-Y193 WeakPolarHBondContact CA-O 3.35Å; L172-Y193 WeakPolarHBondContact CB-O 3.34Å; L172-Y193 PolarHBondContact N-O 2.96Å; L172-L194 HydrophobicContact CB-CD2 3.71Å; L172-L194 HydrophobicContact CD1-CD2 3.82Å; L172-L194 HydrophobicContact CG-CD2 4.44Å; L172-N197 PolarHBondContact O-ND2 3.5Å
173	E	97.5	Very high	96.8	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.126	17%	0.169	C	C	.	.			trans	-65.3	148.6	-178.7	-53.3	96.9	136.5	0	0	112.4	H151 Y152 F171 N175 Y193 S195	H151-E173 CarbonylContact C-O 3.54Å; H151-E173 WeakPolarHBondContact CA-O 3.4Å; H151-E173 HydrophobicContact CB-CB 4.27Å; H151-E173 VanDerWaalsContact CB-O 3.28Å; H151-E173 WeakPolarHBondContact CB-O 3.31Å; H151-E173 IonicContact ND1-OE2 2.68Å; Y152-E173 PolarHBondContact N-O 3.41Å; F171-E173 WeakPolarHBondContact CA-OE2 3.38Å; F171-E173 VanDerWaalsContact CB-OE2 3.24Å; F171-E173 WeakPolarHBondContact CB-OE2 3.3Å; F171-E173 VanDerWaalsContact CD1-OE1 3.29Å; F171-E173 WeakPolarHBondContact CD1-OE1 3.4Å; E173-N175 PolarHBondContact O-N 2.99Å; E173-Y193 VanDerWaalsContact CD-CB 3.41Å; E173-Y193 VanDerWaalsContact OE1-CB 3.23Å; E173-Y193 WeakPolarHBondContact OE1-CB 3.41Å; E173-S195 CarbonylContact C-O 3.16Å; E173-S195 WeakPolarHBondContact CA-O 3.45Å; E173-S195 WeakPolarHBondContact CG-OG 3.31Å
174	V	97.3	Very high	96.7	Very high	29 Å²	29	33.6 Å²	33.6	18%	0.176	18%	0.176	C	C	.	.	S	Bend	trans	56.7	55.1	174.7	-165.6	0	0	0	0	111.3	Y152 S195 K196	Y152-V174 WeakPolarHBondContact CA-O 3.48Å; Y152-V174 HydrophobicContact CD1-CB 3.49Å; Y152-V174 VanDerWaalsContact CD1-CB 3.49Å; Y152-V174 HydrophobicContact CD1-CG1 3.57Å; Y152-V174 HydrophobicContact CD1-CG2 3.93Å; Y152-V174 HydrophobicContact CE1-CB 3.56Å; Y152-V174 HydrophobicContact CE1-CG1 3.82Å; Y152-V174 HydrophobicContact CE1-CG2 3.41Å; Y152-V174 VanDerWaalsContact CE1-CG2 3.41Å; Y152-V174 HydrophobicContact CG-CB 4.28Å; Y152-V174 PolarHBondContact N-O 3.38Å; V174-S195 PolarHBondContact N-O 3.4Å; V174-K196 VanDerWaalsContact CA-O 3.31Å; V174-K196 WeakPolarHBondContact CA-O 3.31Å; V174-K196 HydrophobicContact CG2-CB 3.81Å; V174-K196 HydrophobicContact CG2-CD 3.66Å; V174-K196 HydrophobicContact CG2-CG 4.35Å; V174-K196 PolarHBondContact N-O 2.89Å
175	N	96.7	Very high	96.7	Very high	14 Å²	14	35.9 Å²	35.9	8%	0.075	19%	0.189	C	C	.	.	S	Bend	trans	-119.6	-173.3	167.6	-73.9	-64.4	0	0	0	109.1	L150 N153 G154 F155 L172 E173 L177 N197	L150-N175 PolarHBondContact O-ND2 3.38Å; N153-N175 PolarHBondContact N-OD1 3.44Å; N153-N175 VanDerWaalsContact N-OD1 3.09Å; G154-N175 PolarHBondContact N-OD1 3.38Å; F155-N175 HydrophobicContact CB-CB 4.47Å; F155-N175 PolarHBondContact N-OD1 3.23Å; F155-N175 VanDerWaalsContact N-OD1 3.16Å; L172-N175 PolarHBondContact O-ND2 2.9Å; E173-N175 PolarHBondContact O-N 2.99Å; N175-L177 HydrophobicContact CB-CD1 4.47Å; N175-L177 HydrophobicContact CB-CG 4.01Å; N175-N197 VanDerWaalsContact CA-OD1 3.28Å; N175-N197 WeakPolarHBondContact CA-OD1 3.31Å; N175-N197 WeakPolarHBondContact CB-OD1 3.17Å; N175-N197 PolarHBondContact N-OD1 2.95Å; N175-N197 PolarHBondContact O-OD1 2.96Å; N175-N197 VanDerWaalsContact O-OD1 3.09Å
176	G	95.2	Very high	96.8	Very high	23 Å²	23	33.8 Å²	33.8	24%	0.237	18%	0.175	C	C	.	.			trans	-105.9	30.9	177	0	0	0	0	0	112.7	F155 L178	F155-G176 CarbonylContact O-C 3.33Å; F155-G176 VanDerWaalsContact O-CA 3.3Å; F155-G176 WeakPolarHBondContact O-CA 3.36Å; F155-G176 PolarHBondContact O-N 3.35Å; G176-L178 PolarHBondContact O-N 3.5Å
177	L	97.8	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.			trans	-68.7	126.4	-172.2	-59.9	174.9	0	0	0	111	F155 I158 L172 N175 L194 N197 L198 I199	F155-L177 HydrophobicContact CB-CD2 4.3Å; F155-L177 PolarHBondContact O-N 3.01Å; I158-L177 HydrophobicContact CD1-CD1 3.99Å; I158-L177 HydrophobicContact CG1-CD1 3.8Å; I158-L177 HydrophobicContact CG1-CD2 3.78Å; I158-L177 HydrophobicContact CG1-CG 4.43Å; L172-L177 HydrophobicContact CB-CD1 4.15Å; L172-L177 HydrophobicContact CD1-CD1 4.35Å; L172-L177 HydrophobicContact CD2-CD1 4.43Å; N175-L177 HydrophobicContact CB-CD1 4.47Å; N175-L177 HydrophobicContact CB-CG 4.01Å; L177-L194 HydrophobicContact CD1-CD2 3.71Å; L177-N197 HydrophobicContact CB-CB 4.13Å; L177-N197 WeakPolarHBondContact CB-OD1 3.12Å; L177-N197 WeakPolarHBondContact CG-OD1 3.29Å; L177-N197 PolarHBondContact N-OD1 3.4Å; L177-N197 VanDerWaalsContact N-OD1 3.12Å; L177-L198 CarbonylContact O-C 3.28Å; L177-L198 VanDerWaalsContact O-CA 3.31Å; L177-L198 WeakPolarHBondContact O-CA 3.23Å; L177-L198 PolarHBondContact O-N 3Å; L177-I199 HydrophobicContact CB-CG1 4.42Å; L177-I199 PolarHBondContact O-N 3.24Å
178	L	96.3	Very high	96.8	Very high	100 Å²	100	37.4 Å²	37.4	52%	0.524	19%	0.192	S	C	.	.			trans	-89.9	-25.1	179.5	-63.5	173.7	0	0	0	113.5	G176 L198	G176-L178 PolarHBondContact O-N 3.5Å; L178-L198 HydrophobicContact CD2-CB 3.9Å; L178-L198 HydrophobicContact CD2-CD1 4.2Å
179	K	97.3	Very high	96.8	Very high	93 Å²	93	33.4 Å²	33.4	40%	0.404	18%	0.175	S	C	.	.	S	Bend	trans	-152.4	157.5	179.9	58.7	165.8	177.6	158.4	0	111.1	D181	K179-D181 HydrophobicContact CD-CB 4.25Å; K179-D181 WeakPolarHBondContact CE-OD2 3.42Å; K179-D181 HydrophobicContact CG-CB 4.4Å; K179-D181 IonicContact NZ-OD2 3.8Å; K179-D181 PolarHBondContact NZ-OD2 3.08Å
180	I	97.4	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.			trans	-83.3	115.4	170.9	-54.2	178	0	0	0	106.9	L183 L194 I199 E203 N204 L205	I180-L183 HydrophobicContact CG2-CD1 4.19Å; I180-L194 HydrophobicContact CD1-CD1 3.67Å; I180-L194 HydrophobicContact CG1-CD1 3.79Å; I180-I199 HydrophobicContact CD1-CG2 4.43Å; I180-I199 HydrophobicContact CG1-CD1 3.9Å; I180-I199 HydrophobicContact CG1-CG2 4.07Å; I180-E203 WeakPolarHBondContact CB-O 3.28Å; I180-E203 WeakPolarHBondContact CG2-O 3.08Å; I180-N204 PolarHBondContact O-ND2 3.45Å; I180-L205 HydrophobicContact CG2-CD2 3.84Å
181	D	95.5	Very high	96.8	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	20%	0.199	S	C	.	.			trans	-155	175.2	179.4	-160.8	-9.8	0	0	0	108.7	I158 K179 L183	I158-D181 WeakPolarHBondContact CB-O 3.31Å; I158-D181 WeakPolarHBondContact CG2-O 3.29Å; K179-D181 HydrophobicContact CD-CB 4.25Å; K179-D181 WeakPolarHBondContact CE-OD2 3.42Å; K179-D181 HydrophobicContact CG-CB 4.4Å; K179-D181 IonicContact NZ-OD2 3.8Å; K179-D181 PolarHBondContact NZ-OD2 3.08Å; D181-L183 PolarHBondContact O-N 3.04Å; D181-L183 VanDerWaalsContact O-N 3.14Å
182	G	94.6	Very high	96.8	Very high	10 Å²	10	37.6 Å²	37.6	10%	0.103	19%	0.192	C	C	.	.	S	Bend	trans	71.2	9.3	172.9	0	0	0	0	0	115.1
183	L	96.8	Very high	96.8	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.196	C	C	.	.			trans	-105.6	18.3	-178.5	-61.4	178.3	0	0	0	114.3	I158 L161 L170 I180 D181 N185 Q186 L192 M208	I158-L183 HydrophobicContact CD1-CD1 4.09Å; I158-L183 HydrophobicContact CD1-CG 4.23Å; I158-L183 HydrophobicContact CG2-CD2 3.79Å; I158-L183 HydrophobicContact CG2-CG 4.14Å; L161-L183 HydrophobicContact CD1-CD2 3.73Å; L170-L183 HydrophobicContact CD2-CD1 4.44Å; L170-L183 HydrophobicContact CD2-CD2 3.54Å; I180-L183 HydrophobicContact CG2-CD1 4.19Å; D181-L183 PolarHBondContact O-N 3.04Å; D181-L183 VanDerWaalsContact O-N 3.14Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 2.84Å; L183-Q186 VanDerWaalsContact C-OE1 3.28Å; L183-Q186 HydrophobicContact CD2-CG 4.28Å; L183-Q186 PolarHBondContact O-N 3.07Å; L183-Q186 PolarHBondContact O-OE1 3.23Å; L183-L192 HydrophobicContact CD1-CD1 4.15Å; L183-L192 HydrophobicContact CD1-CD2 3.86Å; L183-M208 HydrophobicContact CB-CE 3.41Å; L183-M208 VanDerWaalsContact CB-CE 3.41Å; L183-M208 HydrophobicContact CD1-CE 3.78Å; L183-M208 HydrophobicContact CG-CE 4.21Å
184	H	94.9	Very high	96.9	Very high	92 Å²	92	37.4 Å²	37.4	43%	0.426	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.4	-173.6	59.5	-83.7	0	0	0	114.2
185	N	96	Very high	96.9	Very high	55 Å²	55	36.8 Å²	36.8	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-5	-179.4	-74.5	-13	0	0	0	113.8	E162 T165 L183 I187	E162-N185 WeakPolarHBondContact CA-ND2 3.44Å; E162-N185 PolarHBondContact O-ND2 2.79Å; T165-N185 HydrophobicContact CG2-CB 4.49Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 2.84Å; N185-I187 PolarHBondContact O-N 3.3Å
186	Q	96.7	Very high	97	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.205	C	C	.	.			trans	-84.5	53.1	-178.3	-78.5	62.1	48.7	0	0	111.3	L161 Y164 L167 L183 E188 L189	L161-Q186 PolarHBondContact O-NE2 2.76Å; Y164-Q186 PolarHBondContact O-NE2 3.06Å; L167-Q186 HydrophobicContact CB-CG 4.38Å; L167-Q186 HydrophobicContact CD1-CG 4.16Å; L183-Q186 VanDerWaalsContact C-OE1 3.28Å; L183-Q186 HydrophobicContact CD2-CG 4.28Å; L183-Q186 PolarHBondContact O-N 3.07Å; L183-Q186 PolarHBondContact O-OE1 3.23Å; Q186-E188 VanDerWaalsContact C-N 3.26Å; Q186-E188 PolarHBondContact O-N 3.19Å; Q186-L189 HydrophobicContact CB-CB 4.25Å; Q186-L189 VanDerWaalsContact O-CB 3.31Å; Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.17Å
187	I	95.3	Very high	97.2	Very high	87 Å²	87	40.5 Å²	40.5	45%	0.446	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.9	-175	62.6	174	0	0	0	113.6	N185	N185-I187 PolarHBondContact O-N 3.3Å
188	E	96.7	Very high	97.1	Very high	60 Å²	60	43.5 Å²	43.5	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.9	179.8	-67.8	-60.6	135.3	0	0	113.5	L167 Q186	L167-E188 CarbonylContact O-C 3.26Å; L167-E188 VanDerWaalsContact O-C 3.25Å; Q186-E188 VanDerWaalsContact C-N 3.26Å; Q186-E188 PolarHBondContact O-N 3.19Å
189	L	97.9	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.			trans	-67.2	135.5	-175.5	-158.9	72.1	0	0	0	111.3	L167 L170 Q186 L192 M208 Y210 L211	L167-L189 HydrophobicContact CB-CD1 4.01Å; L167-L189 WeakPolarHBondContact O-CA 3.3Å; L167-L189 PolarHBondContact O-N 3.03Å; L167-L189 VanDerWaalsContact O-N 3.16Å; L170-L189 HydrophobicContact CB-CD1 3.82Å; L170-L189 HydrophobicContact CB-CD2 4.41Å; Q186-L189 HydrophobicContact CB-CB 4.25Å; Q186-L189 VanDerWaalsContact O-CB 3.31Å; Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.17Å; L189-L192 HydrophobicContact CD2-CB 3.9Å; L189-L192 HydrophobicContact CD2-CD1 4.15Å; L189-L192 HydrophobicContact CD2-CD2 4.33Å; L189-L192 HydrophobicContact CD2-CG 4.35Å; L189-M208 HydrophobicContact CB-SD 4.29Å; L189-M208 HydrophobicContact CD2-CE 4.07Å; L189-M208 HydrophobicContact CD2-SD 3.79Å; L189-Y210 CarbonylContact O-C 3.45Å; L189-L211 HydrophobicContact CD2-CD1 4.28Å; L189-L211 HydrophobicContact CG-CD1 4.35Å; L189-L211 VanDerWaalsContact O-CA 3.3Å; L189-L211 WeakPolarHBondContact O-CA 3.41Å; L189-L211 PolarHBondContact O-N 3.06Å
190	R	98.2	Very high	97.3	Very high	110 Å²	110	39.4 Å²	39.4	42%	0.415	19%	0.191	S	C	.	.			trans	-115.3	-37.8	-178.8	-62.3	176.2	-179.8	-88.4	-7.6	112.1	K168 Y210 D212 T213	K168-R190 WeakPolarHBondContact O-CA 3.43Å; K168-R190 WeakPolarHBondContact O-CB 3.43Å; K168-R190 PolarHBondContact O-N 3.47Å; R190-Y210 WeakPolarHBondContact CA-O 3.47Å; R190-D212 PolarHBondContact O-N 3.1Å; R190-T213 PolarHBondContact O-N 3.14Å
191	S	98.4	Very high	97.3	Very high	22 Å²	22	43.4 Å²	43.4	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.3	-179.9	-54.8	0	0	0	0	110.8	K168 C169 L170 T213	K168-S191 PolarHBondContact O-N 3.32Å; C169-S191 WeakPolarHBondContact CA-O 3.25Å; L170-S191 PolarHBondContact N-O 3.25Å; S191-T213 WeakPolarHBondContact CA-O 3.46Å
192	L	98.6	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.4	177.6	179.5	56.5	0	0	0	109.6	L170 L172 L183 L189 L194 L205 L211 T213 L214 D215	L170-L192 HydrophobicContact CB-CD1 4.08Å; L170-L192 HydrophobicContact CD2-CD1 3.97Å; L170-L192 HydrophobicContact CG-CD1 4.09Å; L172-L192 HydrophobicContact CD1-CD1 4.37Å; L183-L192 HydrophobicContact CD1-CD1 4.15Å; L183-L192 HydrophobicContact CD1-CD2 3.86Å; L189-L192 HydrophobicContact CD2-CB 3.9Å; L189-L192 HydrophobicContact CD2-CD1 4.15Å; L189-L192 HydrophobicContact CD2-CD2 4.33Å; L189-L192 HydrophobicContact CD2-CG 4.35Å; L192-L194 HydrophobicContact CD1-CD1 4.2Å; L192-L194 HydrophobicContact CD1-CD2 4.47Å; L192-L194 HydrophobicContact CD1-CG 4.04Å; L192-L194 HydrophobicContact CD2-CD1 3.7Å; L192-L194 HydrophobicContact CD2-CG 4.42Å; L192-L194 HydrophobicContact CG-CD1 3.74Å; L192-L194 HydrophobicContact CG-CG 3.95Å; L192-L205 HydrophobicContact CD2-CD2 3.83Å; L192-L211 HydrophobicContact CB-CD1 3.98Å; L192-T213 PolarHBondContact N-O 3Å; L192-L214 HydrophobicContact CB-CD1 4.06Å; L192-L214 HydrophobicContact CD2-CD1 3.96Å; L192-L214 HydrophobicContact CG-CD1 4.03Å; L192-D215 PolarHBondContact O-N 3Å
193	Y	98.7	Very high	97.5	Very high	23 Å²	23	42.3 Å²	42.3	9%	0.09	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.9	178.9	-57.8	-86.9	0	0	0	110.1	L170 F171 L172 E173 D215	L170-Y193 PolarHBondContact O-N 3.01Å; F171-Y193 AromaticContact CD1-CD2 3.64Å; F171-Y193 HydrophobicContact CD1-CD2 3.64Å; F171-Y193 HydrophobicContact CD1-CE2 4.26Å; F171-Y193 HydrophobicContact CD1-CG 4.08Å; F171-Y193 AromaticContact CE1-CD2 3.52Å; F171-Y193 HydrophobicContact CE1-CD2 3.52Å; F171-Y193 AromaticContact CE1-CE2 3.66Å; F171-Y193 HydrophobicContact CE1-CE2 3.66Å; F171-Y193 HydrophobicContact CE1-CG 4.15Å; F171-Y193 HydrophobicContact CG-CD2 4.28Å; F171-Y193 HydrophobicContact CZ-CD2 4.08Å; F171-Y193 AromaticContact CZ-CE2 3.9Å; F171-Y193 HydrophobicContact CZ-CE2 3.9Å; L172-Y193 CarbonylContact C-O 3.26Å; L172-Y193 WeakPolarHBondContact CA-O 3.35Å; L172-Y193 WeakPolarHBondContact CB-O 3.34Å; L172-Y193 PolarHBondContact N-O 2.96Å; E173-Y193 VanDerWaalsContact CD-CB 3.41Å; E173-Y193 VanDerWaalsContact OE1-CB 3.23Å; E173-Y193 WeakPolarHBondContact OE1-CB 3.41Å; Y193-D215 HydrophobicContact CD1-CB 3.7Å; Y193-D215 HydrophobicContact CE1-CB 4.36Å
194	L	98.5	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.			trans	-127.4	20.1	-175.5	-73.1	165.1	0	0	0	111.2	I158 L172 L177 I180 L192 N197 I199 L214 D215 V216 N219	I158-L194 HydrophobicContact CD1-CD2 4.35Å; L172-L194 HydrophobicContact CB-CD2 3.71Å; L172-L194 HydrophobicContact CD1-CD2 3.82Å; L172-L194 HydrophobicContact CG-CD2 4.44Å; L177-L194 HydrophobicContact CD1-CD2 3.71Å; I180-L194 HydrophobicContact CD1-CD1 3.67Å; I180-L194 HydrophobicContact CG1-CD1 3.79Å; L192-L194 HydrophobicContact CD1-CD1 4.2Å; L192-L194 HydrophobicContact CD1-CD2 4.47Å; L192-L194 HydrophobicContact CD1-CG 4.04Å; L192-L194 HydrophobicContact CD2-CD1 3.7Å; L192-L194 HydrophobicContact CD2-CG 4.42Å; L192-L194 HydrophobicContact CG-CD1 3.74Å; L192-L194 HydrophobicContact CG-CG 3.95Å; L194-N197 PolarHBondContact O-ND2 3.36Å; L194-I199 HydrophobicContact CB-CD1 3.93Å; L194-I199 HydrophobicContact CD1-CD1 4.1Å; L194-I199 HydrophobicContact CD2-CD1 4.11Å; L194-I199 HydrophobicContact CG-CD1 4.3Å; L194-L214 HydrophobicContact CD1-CD1 4.33Å; L194-D215 CarbonylContact C-O 3.21Å; L194-D215 WeakPolarHBondContact CA-O 3.33Å; L194-D215 WeakPolarHBondContact CB-O 3.39Å; L194-D215 PolarHBondContact N-O 3.43Å; L194-V216 HydrophobicContact CB-CG1 4.08Å; L194-V216 HydrophobicContact CD1-CG1 4.21Å; L194-N219 PolarHBondContact O-ND2 3.23Å
195	S	98.1	Very high	97.5	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.112	19%	0.192	C	C	.	.			trans	-66.3	150.3	-177	55	0	0	0	0	112.9	E173 V174 N197 D215 S217	E173-S195 CarbonylContact C-O 3.16Å; E173-S195 WeakPolarHBondContact CA-O 3.45Å; E173-S195 WeakPolarHBondContact CG-OG 3.31Å; V174-S195 PolarHBondContact N-O 3.4Å; S195-N197 PolarHBondContact O-ND2 2.79Å; S195-D215 VanDerWaalsContact CB-OD2 3.28Å; S195-D215 WeakPolarHBondContact CB-OD2 3.48Å; S195-D215 PolarHBondContact OG-OD2 3.39Å; S195-D215 VanDerWaalsContact OG-OD2 3.08Å; S195-S217 CarbonylContact C-O 3.1Å; S195-S217 WeakPolarHBondContact CA-O 3.44Å; S195-S217 VanDerWaalsContact CB-O 3.3Å; S195-S217 WeakPolarHBondContact CB-O 3.44Å
196	K	98.2	Very high	97.4	Very high	107 Å²	107	41.2 Å²	41.2	47%	0.465	19%	0.194	S	C	.	.	S	Bend	trans	58.3	53.2	-178.8	-60.5	173.2	178.6	175.6	0	112.5	V174 S217 Y218	V174-K196 VanDerWaalsContact CA-O 3.31Å; V174-K196 WeakPolarHBondContact CA-O 3.31Å; V174-K196 HydrophobicContact CG2-CB 3.81Å; V174-K196 HydrophobicContact CG2-CD 3.66Å; V174-K196 HydrophobicContact CG2-CG 4.35Å; V174-K196 PolarHBondContact N-O 2.89Å; K196-S217 PolarHBondContact N-O 2.79Å; K196-Y218 VanDerWaalsContact CA-O 3.3Å; K196-Y218 WeakPolarHBondContact CA-O 3.46Å; K196-Y218 HydrophobicContact CG-CD2 3.92Å; K196-Y218 HydrophobicContact CG-CG 3.88Å; K196-Y218 PolarHBondContact N-O 3.32Å
197	N	98.4	Very high	97.2	Very high	7 Å²	7	46 Å²	46	4%	0.037	22%	0.216	C	C	.	.	S	Bend	trans	-120.3	-165.7	170.5	-80.3	-76.6	0	0	0	109.3	L172 N175 L177 L194 S195 I199 Y218 N219	L172-N197 PolarHBondContact O-ND2 3.5Å; N175-N197 VanDerWaalsContact CA-OD1 3.28Å; N175-N197 WeakPolarHBondContact CA-OD1 3.31Å; N175-N197 WeakPolarHBondContact CB-OD1 3.17Å; N175-N197 PolarHBondContact N-OD1 2.95Å; N175-N197 PolarHBondContact O-OD1 2.96Å; N175-N197 VanDerWaalsContact O-OD1 3.09Å; L177-N197 HydrophobicContact CB-CB 4.13Å; L177-N197 WeakPolarHBondContact CB-OD1 3.12Å; L177-N197 WeakPolarHBondContact CG-OD1 3.29Å; L177-N197 PolarHBondContact N-OD1 3.4Å; L177-N197 VanDerWaalsContact N-OD1 3.12Å; L194-N197 PolarHBondContact O-ND2 3.36Å; S195-N197 PolarHBondContact O-ND2 2.79Å; N197-I199 HydrophobicContact CB-CD1 4.1Å; N197-I199 HydrophobicContact CB-CG1 4.11Å; N197-Y218 PolarHBondContact N-O 3.45Å; N197-N219 VanDerWaalsContact CA-OD1 3.31Å; N197-N219 WeakPolarHBondContact CA-OD1 3.46Å; N197-N219 WeakPolarHBondContact CB-OD1 3.37Å; N197-N219 PolarHBondContact N-OD1 3.3Å; N197-N219 PolarHBondContact O-OD1 2.54Å
198	L	97.4	Very high	97.2	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.335	20%	0.195	S	C	.	.			trans	-118.5	34.1	179.8	-61.2	175.6	0	0	0	111.1	L177 L178 H200 N219	L177-L198 CarbonylContact O-C 3.28Å; L177-L198 VanDerWaalsContact O-CA 3.31Å; L177-L198 WeakPolarHBondContact O-CA 3.23Å; L177-L198 PolarHBondContact O-N 3Å; L178-L198 HydrophobicContact CD2-CB 3.9Å; L178-L198 HydrophobicContact CD2-CD1 4.2Å; L198-H200 PolarHBondContact O-CD2 3.12Å; L198-N219 PolarHBondContact N-OD1 2.94Å
199	I	98.5	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.211	C	C	.	.			trans	-75.9	131.6	-175.4	-61.7	164.1	0	0	0	109.8	L177 I180 L194 N197 K201 N219 M220 I221	L177-I199 HydrophobicContact CB-CG1 4.42Å; L177-I199 PolarHBondContact O-N 3.24Å; I180-I199 HydrophobicContact CD1-CG2 4.43Å; I180-I199 HydrophobicContact CG1-CD1 3.9Å; I180-I199 HydrophobicContact CG1-CG2 4.07Å; L194-I199 HydrophobicContact CB-CD1 3.93Å; L194-I199 HydrophobicContact CD1-CD1 4.1Å; L194-I199 HydrophobicContact CD2-CD1 4.11Å; L194-I199 HydrophobicContact CG-CD1 4.3Å; N197-I199 HydrophobicContact CB-CD1 4.1Å; N197-I199 HydrophobicContact CB-CG1 4.11Å; I199-K201 VanDerWaalsContact CG2-O 3.25Å; I199-K201 WeakPolarHBondContact CG2-O 3.24Å; I199-N219 HydrophobicContact CB-CB 4.29Å; I199-N219 VanDerWaalsContact CB-OD1 3.31Å; I199-N219 WeakPolarHBondContact CB-OD1 3.23Å; I199-N219 PolarHBondContact N-OD1 2.92Å; I199-M220 CarbonylContact O-C 3.54Å; I199-M220 VanDerWaalsContact O-C 3.28Å; I199-M220 WeakPolarHBondContact O-CA 3.34Å; I199-M220 PolarHBondContact O-N 2.82Å; I199-I221 HydrophobicContact CG2-CG1 4.36Å; I199-I221 PolarHBondContact O-N 2.9Å
200	H	97.7	Very high	96.9	Very high	107 Å²	107	50.4 Å²	50.4	50%	0.495	23%	0.229	S	C	.	.			trans	-100	-21.7	179.2	-73.8	-76.6	0	0	0	114.6	L198 M220 I221	L198-H200 PolarHBondContact O-CD2 3.12Å; H200-M220 VanDerWaalsContact CE1-CB 3.41Å; H200-M220 WeakPolarHBondContact CE1-CB 3.29Å; H200-M220 WeakPolarHBondContact ND1-CB 3.31Å; H200-M220 PolarHBondContact ND1-O 3.09Å; H200-I221 WeakPolarHBondContact O-CA 3.28Å
201	K	97.8	Very high	96.9	Very high	84 Å²	84	45.1 Å²	45.1	37%	0.365	21%	0.209	S	C	.	.			trans	-147.1	141.5	-171.5	176.4	171.5	166.3	130.9	0	110.9	I199 E203 E225	I199-K201 VanDerWaalsContact CG2-O 3.25Å; I199-K201 WeakPolarHBondContact CG2-O 3.24Å; K201-E203 HydrophobicContact CG-CB 4.37Å; K201-E203 HydrophobicContact CG-CG 4.42Å; K201-E225 VanDerWaalsContact CD-OE1 3.25Å; K201-E225 WeakPolarHBondContact CD-OE1 3.21Å; K201-E225 WeakPolarHBondContact CE-OE1 3.3Å; K201-E225 WeakPolarHBondContact CG-OE1 3.28Å; K201-E225 IonicContact NZ-OE1 3.28Å; K201-E225 PolarHBondContact NZ-OE1 3.31Å
202	I	97.6	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.214	C	C	.	.			trans	-83.2	118.3	169.6	-60.8	171.9	0	0	0	107.4	L205 L214 I221 E225 N226 L227 I238	I202-L205 HydrophobicContact CG2-CD1 3.83Å; I202-L214 HydrophobicContact CG2-CD2 4.48Å; I202-I221 HydrophobicContact CD1-CD1 4.37Å; I202-I221 HydrophobicContact CG1-CD1 3.91Å; I202-I221 HydrophobicContact CG1-CG2 4.44Å; I202-E225 WeakPolarHBondContact CG2-O 3.36Å; I202-N226 PolarHBondContact O-ND2 2.83Å; I202-L227 HydrophobicContact CD1-CD1 4.26Å; I202-L227 HydrophobicContact CG2-CD2 3.78Å; I202-L227 HydrophobicContact CG2-CG 4.25Å; I202-I238 HydrophobicContact CD1-CD1 4.2Å
203	E	96.4	Very high	96.9	Very high	50 Å²	50	46.9 Å²	46.9	23%	0.234	22%	0.217	C	C	.	.			trans	-158.4	166.5	-177	56.1	-179.6	-172.3	0	0	110.6	I180 K201 L205	I180-E203 WeakPolarHBondContact CB-O 3.28Å; I180-E203 WeakPolarHBondContact CG2-O 3.08Å; K201-E203 HydrophobicContact CG-CB 4.37Å; K201-E203 HydrophobicContact CG-CG 4.42Å; E203-L205 VanDerWaalsContact C-N 3.26Å; E203-L205 PolarHBondContact O-N 3.35Å
204	N	95.8	Very high	96.9	Very high	58 Å²	58	45.8 Å²	45.8	31%	0.31	21%	0.213	S	C	.	.	S	Bend	trans	61.7	30.7	175.2	-55.9	-52.1	0	0	0	113.9	I180 E206	I180-N204 PolarHBondContact O-ND2 3.45Å; N204-E206 PolarHBondContact N-OE1 3.2Å
205	L	96.4	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.213	C	C	.	.			trans	-106.7	-7.3	176.4	-60.7	-177	0	0	0	112.8	I180 L192 I202 E203 H207 M208 L211 L214 L227 L230	I180-L205 HydrophobicContact CG2-CD2 3.84Å; L192-L205 HydrophobicContact CD2-CD2 3.83Å; I202-L205 HydrophobicContact CG2-CD1 3.83Å; E203-L205 VanDerWaalsContact C-N 3.26Å; E203-L205 PolarHBondContact O-N 3.35Å; L205-H207 PolarHBondContact O-N 3.49Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CD2-SD 3.78Å; L205-M208 PolarHBondContact O-N 3.13Å; L205-L211 HydrophobicContact CD1-CD2 4.27Å; L205-L214 HydrophobicContact CD1-CD1 4.36Å; L205-L214 HydrophobicContact CD1-CD2 3.76Å; L205-L227 HydrophobicContact CD1-CD2 4.31Å; L205-L230 VanDerWaalsContact O-CD2 3.29Å; L205-L230 WeakPolarHBondContact O-CD2 3.3Å
206	E	93.5	Very high	96.9	Very high	69 Å²	69	45.1 Å²	45.1	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.5	-168.7	-49	91.8	-134	0	0	114.4	N204 L229	N204-E206 PolarHBondContact N-OE1 3.2Å; E206-L229 HydrophobicContact CB-CD1 4.09Å; E206-L229 HydrophobicContact CG-CD1 3.77Å
207	H	92.8	Very high	96.9	Very high	101 Å²	101	40.3 Å²	40.3	47%	0.468	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.6	-179	-53.1	-48.6	0	0	0	114	L205 K209	L205-H207 PolarHBondContact O-N 3.49Å; H207-K209 PolarHBondContact O-N 2.92Å
208	M	95	Very high	96.9	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	21%	0.206	C	C	.	.			trans	-86.3	74.7	-171.6	-55.1	-177.1	-177	0	0	112	L183 L189 L205 Y210 L211	L183-M208 HydrophobicContact CB-CE 3.41Å; L183-M208 VanDerWaalsContact CB-CE 3.41Å; L183-M208 HydrophobicContact CD1-CE 3.78Å; L183-M208 HydrophobicContact CG-CE 4.21Å; L189-M208 HydrophobicContact CB-SD 4.29Å; L189-M208 HydrophobicContact CD2-CE 4.07Å; L189-M208 HydrophobicContact CD2-SD 3.79Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CD2-SD 3.78Å; L205-M208 PolarHBondContact O-N 3.13Å; M208-Y210 PolarHBondContact O-N 3.42Å; M208-L211 HydrophobicContact CB-CB 3.76Å; M208-L211 HydrophobicContact CB-CD2 4.47Å; M208-L211 WeakPolarHBondContact O-CB 3.17Å; M208-L211 PolarHBondContact O-N 3.33Å; M208-L211 HydrophobicContact SD-CD1 4.21Å; M208-L211 HydrophobicContact SD-CD2 4Å
209	K	92.9	Very high	97	Very high	141 Å²	141	42.2 Å²	42.2	61%	0.613	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22	-175	-63.1	-179.7	-176.4	177.3	0	114.3	H207 P231 N232	H207-K209 PolarHBondContact O-N 2.92Å; K209-P231 HydrophobicContact CB-CG 4.43Å; K209-P231 VanDerWaalsContact O-CG 3.31Å; K209-P231 WeakPolarHBondContact O-CG 3.36Å; K209-N232 PolarHBondContact O-ND2 3.45Å
210	Y	96.6	Very high	96.9	Very high	97 Å²	97	45.1 Å²	45.1	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	4	-179.3	-61.3	-71.5	0	0	0	113.7	L189 R190 M208 D212	L189-Y210 CarbonylContact O-C 3.45Å; R190-Y210 WeakPolarHBondContact CA-O 3.47Å; M208-Y210 PolarHBondContact O-N 3.42Å; Y210-D212 PolarHBondContact O-N 3.16Å
211	L	97.9	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.			trans	-64.4	120.5	-179.9	-167	69.8	0	0	0	109.4	L189 L192 L205 M208 L230 N232 F233	L189-L211 HydrophobicContact CD2-CD1 4.28Å; L189-L211 HydrophobicContact CG-CD1 4.35Å; L189-L211 VanDerWaalsContact O-CA 3.3Å; L189-L211 WeakPolarHBondContact O-CA 3.41Å; L189-L211 PolarHBondContact O-N 3.06Å; L192-L211 HydrophobicContact CB-CD1 3.98Å; L205-L211 HydrophobicContact CD1-CD2 4.27Å; M208-L211 HydrophobicContact CB-CB 3.76Å; M208-L211 HydrophobicContact CB-CD2 4.47Å; M208-L211 WeakPolarHBondContact O-CB 3.17Å; M208-L211 PolarHBondContact O-N 3.33Å; M208-L211 HydrophobicContact SD-CD1 4.21Å; M208-L211 HydrophobicContact SD-CD2 4Å; L211-L230 HydrophobicContact CD2-CD1 4.03Å; L211-N232 CarbonylContact O-C 3.24Å; L211-N232 VanDerWaalsContact O-C 3.29Å; L211-F233 WeakPolarHBondContact O-CA 3.12Å; L211-F233 PolarHBondContact O-N 3.37Å
212	D	97.5	Very high	97	Very high	47 Å²	47	42 Å²	42	25%	0.251	19%	0.192	S	C	.	.			trans	-110.8	-45.5	-175.9	172.3	75.2	0	0	0	111	R190 Y210 N232 T234 K235	R190-D212 PolarHBondContact O-N 3.1Å; Y210-D212 PolarHBondContact O-N 3.16Å; D212-N232 WeakPolarHBondContact CA-O 3.46Å; D212-T234 VanDerWaalsContact CG-OG1 3.28Å; D212-T234 PolarHBondContact O-N 3.12Å; D212-T234 WeakPolarHBondContact OD1-CB 2.96Å; D212-T234 WeakPolarHBondContact OD1-CG2 3.25Å; D212-T234 PolarHBondContact OD1-OG1 2.98Å; D212-K235 PolarHBondContact O-N 3.19Å
213	T	98.5	Very high	97	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.8	-175.5	-61.9	0	0	0	0	110.8	R190 S191 L192 K235	R190-T213 PolarHBondContact O-N 3.14Å; S191-T213 WeakPolarHBondContact CA-O 3.46Å; L192-T213 PolarHBondContact N-O 3Å; T213-K235 WeakPolarHBondContact CA-O 3.38Å; T213-K235 HydrophobicContact CG2-CB 4.24Å
214	L	98.7	Very high	97	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.6	171	178.5	65.3	0	0	0	109.7	L192 L194 I202 L205 V216 L227 F233 K235 L236 I237	L192-L214 HydrophobicContact CB-CD1 4.06Å; L192-L214 HydrophobicContact CD2-CD1 3.96Å; L192-L214 HydrophobicContact CG-CD1 4.03Å; L194-L214 HydrophobicContact CD1-CD1 4.33Å; I202-L214 HydrophobicContact CG2-CD2 4.48Å; L205-L214 HydrophobicContact CD1-CD1 4.36Å; L205-L214 HydrophobicContact CD1-CD2 3.76Å; L214-V216 HydrophobicContact CD1-CG1 3.86Å; L214-V216 HydrophobicContact CD2-CG1 4.25Å; L214-V216 HydrophobicContact CG-CG1 3.93Å; L214-L227 HydrophobicContact CD2-CD2 3.95Å; L214-F233 HydrophobicContact CB-CE2 3.58Å; L214-F233 HydrophobicContact CB-CZ 3.98Å; L214-K235 PolarHBondContact N-O 3.1Å; L214-L236 HydrophobicContact CB-CD1 4.4Å; L214-L236 HydrophobicContact CD2-CD1 4.12Å; L214-L236 HydrophobicContact CG-CD1 4.38Å; L214-I237 PolarHBondContact O-N 3.44Å
215	D	98.7	Very high	97.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.6	169.7	176	20.1	0	0	0	110	L192 Y193 L194 S195 S217 I237 Y649	L192-D215 PolarHBondContact O-N 3Å; Y193-D215 HydrophobicContact CD1-CB 3.7Å; Y193-D215 HydrophobicContact CE1-CB 4.36Å; L194-D215 CarbonylContact C-O 3.21Å; L194-D215 WeakPolarHBondContact CA-O 3.33Å; L194-D215 WeakPolarHBondContact CB-O 3.39Å; L194-D215 PolarHBondContact N-O 3.43Å; S195-D215 VanDerWaalsContact CB-OD2 3.28Å; S195-D215 WeakPolarHBondContact CB-OD2 3.48Å; S195-D215 PolarHBondContact OG-OD2 3.39Å; S195-D215 VanDerWaalsContact OG-OD2 3.08Å; D215-S217 WeakPolarHBondContact OD1-CB 3.43Å; D215-S217 PolarHBondContact OD1-N 2.81Å; D215-S217 PolarHBondContact OD1-OG 3.1Å; D215-I237 HydrophobicContact CB-CB 4.21Å; D215-I237 HydrophobicContact CB-CD1 4.41Å; D215-Y649 PolarHBondContact OD2-OH 2.66Å
216	V	98.5	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.206	C	C	.	.			trans	-124.6	28.8	176.1	-72.4	0	0	0	0	110.5	L194 L214 N219 I221 L236 I237 I238 N241	L194-V216 HydrophobicContact CB-CG1 4.08Å; L194-V216 HydrophobicContact CD1-CG1 4.21Å; L214-V216 HydrophobicContact CD1-CG1 3.86Å; L214-V216 HydrophobicContact CD2-CG1 4.25Å; L214-V216 HydrophobicContact CG-CG1 3.93Å; V216-N219 VanDerWaalsContact C-ND2 3.32Å; V216-N219 WeakPolarHBondContact O-CB 3.19Å; V216-N219 PolarHBondContact O-ND2 2.77Å; V216-I221 HydrophobicContact CB-CD1 3.65Å; V216-I221 HydrophobicContact CG1-CD1 4.26Å; V216-I221 HydrophobicContact CG2-CD1 3.62Å; V216-L236 HydrophobicContact CG2-CD1 4.33Å; V216-I237 WeakPolarHBondContact CG2-O 3.36Å; V216-I237 PolarHBondContact N-O 3.39Å; V216-I238 HydrophobicContact CG2-CB 3.96Å; V216-I238 HydrophobicContact CG2-CD1 4.07Å; V216-I238 HydrophobicContact CG2-CG1 3.83Å; V216-N241 PolarHBondContact O-ND2 2.89Å
217	S	98.4	Very high	97.1	Very high	5 Å²	5	42 Å²	42	4%	0.035	19%	0.19	C	C	.	.			trans	-61.8	152.1	-179.8	-52.4	0	0	0	0	112.6	S195 K196 D215 N219 I237 S239	S195-S217 CarbonylContact C-O 3.1Å; S195-S217 WeakPolarHBondContact CA-O 3.44Å; S195-S217 VanDerWaalsContact CB-O 3.3Å; S195-S217 WeakPolarHBondContact CB-O 3.44Å; K196-S217 PolarHBondContact N-O 2.79Å; D215-S217 WeakPolarHBondContact OD1-CB 3.43Å; D215-S217 PolarHBondContact OD1-N 2.81Å; D215-S217 PolarHBondContact OD1-OG 3.1Å; S217-N219 PolarHBondContact O-N 3.22Å; S217-N219 PolarHBondContact O-ND2 3.28Å; S217-I237 WeakPolarHBondContact OG-CG2 3.3Å; S217-S239 CarbonylContact C-O 3.29Å; S217-S239 WeakPolarHBondContact CA-O 3.48Å; S217-S239 VanDerWaalsContact CB-OG 3.32Å; S217-S239 WeakPolarHBondContact CB-OG 3.34Å; S217-S239 PolarHBondContact OG-OG 3.44Å
218	Y	98.4	Very high	96.9	Very high	109 Å²	109	40.1 Å²	40.1	43%	0.427	18%	0.184	S	C	.	.	S	Bend	trans	54	50.1	-178.7	-59.2	-86.9	0	0	0	113	K196 N197 S239 H240	K196-Y218 VanDerWaalsContact CA-O 3.3Å; K196-Y218 WeakPolarHBondContact CA-O 3.46Å; K196-Y218 HydrophobicContact CG-CD2 3.92Å; K196-Y218 HydrophobicContact CG-CG 3.88Å; K196-Y218 PolarHBondContact N-O 3.32Å; N197-Y218 PolarHBondContact N-O 3.45Å; Y218-S239 PolarHBondContact N-O 2.83Å; Y218-H240 WeakPolarHBondContact CA-O 3.31Å; Y218-H240 HydrophobicContact CD1-CB 3.47Å; Y218-H240 VanDerWaalsContact CD1-CB 3.47Å; Y218-H240 AromaticContact CD1-CG 3.67Å; Y218-H240 HydrophobicContact CD2-CB 4.39Å; Y218-H240 HydrophobicContact CE1-CB 3.67Å; Y218-H240 AromaticContact CE1-CD2 3.31Å; Y218-H240 WeakPolarHBondContact CE1-CD2 3.43Å; Y218-H240 AromaticContact CE1-CE1 3.86Å; Y218-H240 AromaticContact CE1-CG 3.28Å; Y218-H240 AromaticContact CE1-ND1 3.64Å; Y218-H240 AromaticContact CE1-NE2 3.65Å; Y218-H240 AromaticContact CE2-CD2 3.67Å; Y218-H240 HydrophobicContact CG-CB 3.85Å; Y218-H240 AromaticContact CZ-CD2 3.11Å; Y218-H240 AromaticContact CZ-CG 3.64Å; Y218-H240 AromaticContact CZ-NE2 3.4Å; Y218-H240 PolarHBondContact OH-CD2 3.47Å; Y218-H240 PolarHBondContact OH-NE2 3.32Å
219	N	98.6	Very high	96.6	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.209	C	C	.	.	S	Bend	trans	-120.6	-166.5	171.8	-82.2	-79.7	0	0	0	109.4	L194 N197 L198 I199 V216 S217 I221 N241	L194-N219 PolarHBondContact O-ND2 3.23Å; N197-N219 VanDerWaalsContact CA-OD1 3.31Å; N197-N219 WeakPolarHBondContact CA-OD1 3.46Å; N197-N219 WeakPolarHBondContact CB-OD1 3.37Å; N197-N219 PolarHBondContact N-OD1 3.3Å; N197-N219 PolarHBondContact O-OD1 2.54Å; L198-N219 PolarHBondContact N-OD1 2.94Å; I199-N219 HydrophobicContact CB-CB 4.29Å; I199-N219 VanDerWaalsContact CB-OD1 3.31Å; I199-N219 WeakPolarHBondContact CB-OD1 3.23Å; I199-N219 PolarHBondContact N-OD1 2.92Å; V216-N219 VanDerWaalsContact C-ND2 3.32Å; V216-N219 WeakPolarHBondContact O-CB 3.19Å; V216-N219 PolarHBondContact O-ND2 2.77Å; S217-N219 PolarHBondContact O-N 3.22Å; S217-N219 PolarHBondContact O-ND2 3.28Å; N219-I221 HydrophobicContact CB-CD1 4.31Å; N219-I221 HydrophobicContact CB-CG1 4.24Å; N219-N241 WeakPolarHBondContact CA-OD1 3.41Å; N219-N241 WeakPolarHBondContact CB-OD1 3.38Å; N219-N241 PolarHBondContact N-OD1 3.26Å; N219-N241 PolarHBondContact O-OD1 3.39Å
220	M	97.9	Very high	96.6	Very high	61 Å²	61	38.8 Å²	38.8	30%	0.3	18%	0.183	S	C	.	.			trans	-116	30.2	-177.9	-58.8	-61.4	-72.6	0	0	111.5	I199 H200 Q222 N241 K242	I199-M220 CarbonylContact O-C 3.54Å; I199-M220 VanDerWaalsContact O-C 3.28Å; I199-M220 WeakPolarHBondContact O-CA 3.34Å; I199-M220 PolarHBondContact O-N 2.82Å; H200-M220 VanDerWaalsContact CE1-CB 3.41Å; H200-M220 WeakPolarHBondContact CE1-CB 3.29Å; H200-M220 WeakPolarHBondContact ND1-CB 3.31Å; H200-M220 PolarHBondContact ND1-O 3.09Å; M220-Q222 PolarHBondContact O-N 3.08Å; M220-N241 PolarHBondContact N-OD1 3.42Å; M220-K242 HydrophobicContact CE-CG 4.32Å; M220-K242 HydrophobicContact SD-CG 4.44Å
221	I	98.5	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.			trans	-73.2	126.4	-176.8	-59.7	165.1	0	0	0	109.7	I199 H200 I202 V216 N219 K223 I238 N241 K242	I199-I221 HydrophobicContact CG2-CG1 4.36Å; I199-I221 PolarHBondContact O-N 2.9Å; H200-I221 WeakPolarHBondContact O-CA 3.28Å; I202-I221 HydrophobicContact CD1-CD1 4.37Å; I202-I221 HydrophobicContact CG1-CD1 3.91Å; I202-I221 HydrophobicContact CG1-CG2 4.44Å; V216-I221 HydrophobicContact CB-CD1 3.65Å; V216-I221 HydrophobicContact CG1-CD1 4.26Å; V216-I221 HydrophobicContact CG2-CD1 3.62Å; N219-I221 HydrophobicContact CB-CD1 4.31Å; N219-I221 HydrophobicContact CB-CG1 4.24Å; I221-K223 VanDerWaalsContact CG2-O 3.3Å; I221-K223 WeakPolarHBondContact CG2-O 3.22Å; I221-I238 HydrophobicContact CB-CD1 4.22Å; I221-I238 HydrophobicContact CD1-CD1 4.06Å; I221-I238 HydrophobicContact CD1-CG1 4.42Å; I221-I238 HydrophobicContact CG2-CD1 3.92Å; I221-N241 HydrophobicContact CB-CB 4.39Å; I221-N241 VanDerWaalsContact CB-OD1 3.31Å; I221-N241 WeakPolarHBondContact CB-OD1 3.48Å; I221-N241 PolarHBondContact N-OD1 3.1Å; I221-K242 CarbonylContact O-C 3.5Å; I221-K242 WeakPolarHBondContact O-CA 3.45Å; I221-K242 PolarHBondContact O-N 3.43Å
222	Q	97.6	Very high	96.1	Very high	124 Å²	124	39.6 Å²	39.6	58%	0.579	20%	0.197	S	C	*	.			trans	-100.8	-22.2	179.2	-70.1	175.3	-16.1	0	0	113	M220 K242 L243 D248	M220-Q222 PolarHBondContact O-N 3.08Å; Q222-K242 HydrophobicContact CG-CB 3.8Å; Q222-L243 WeakPolarHBondContact O-CD2 3.14Å; Q222-D248 VanDerWaalsContact O-CB 3.28Å; Q222-D248 WeakPolarHBondContact O-CB 3.31Å
223	K	97.9	Very high	96.1	Very high	95 Å²	95	37.5 Å²	37.5	41%	0.413	19%	0.186	S	C	.	.			trans	-145	138.3	-176.1	178.4	170.3	-175.6	-167.1	0	111.8	I221	I221-K223 VanDerWaalsContact CG2-O 3.3Å; I221-K223 WeakPolarHBondContact CG2-O 3.22Å
224	I	97.7	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.			trans	-85.6	122.6	171.6	-55	177.5	0	0	0	108.5	L227 L236 I238 L243 D248 L249 H251 L252	I224-L227 HydrophobicContact CG2-CD1 3.65Å; I224-L227 HydrophobicContact CG2-CG 4.5Å; I224-L236 HydrophobicContact CD1-CD2 4.12Å; I224-L236 HydrophobicContact CG2-CD2 4.33Å; I224-I238 HydrophobicContact CD1-CD1 4.45Å; I224-I238 HydrophobicContact CD1-CG2 4.48Å; I224-I238 HydrophobicContact CG1-CD1 4.01Å; I224-L243 HydrophobicContact CD1-CD1 3.96Å; I224-L243 HydrophobicContact CD1-CD2 4.49Å; I224-L243 HydrophobicContact CG1-CD1 4.23Å; I224-L243 HydrophobicContact CG1-CD2 3.9Å; I224-D248 VanDerWaalsContact CB-O 3.27Å; I224-D248 WeakPolarHBondContact CB-O 3.37Å; I224-D248 WeakPolarHBondContact CG1-O 3.42Å; I224-D248 PolarHBondContact N-O 2.99Å; I224-L249 HydrophobicContact CD1-CG 4.39Å; I224-H251 HydrophobicContact CG2-CB 4.42Å; I224-H251 WeakPolarHBondContact O-CB 3.45Å; I224-L252 HydrophobicContact CD1-CD1 3.81Å; I224-L252 HydrophobicContact CD1-CD2 3.91Å; I224-L252 HydrophobicContact CD1-CG 3.92Å; I224-L252 HydrophobicContact CG2-CD2 3.93Å; I224-L252 HydrophobicContact CG2-CG 4.33Å
225	E	96.4	Very high	96.1	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.182	21%	0.205	C	C	.	.			trans	-156.6	168.1	179.5	52.9	-177.2	-167	0	0	110.3	K201 I202 L227	K201-E225 VanDerWaalsContact CD-OE1 3.25Å; K201-E225 WeakPolarHBondContact CD-OE1 3.21Å; K201-E225 WeakPolarHBondContact CE-OE1 3.3Å; K201-E225 WeakPolarHBondContact CG-OE1 3.28Å; K201-E225 IonicContact NZ-OE1 3.28Å; K201-E225 PolarHBondContact NZ-OE1 3.31Å; I202-E225 WeakPolarHBondContact CG2-O 3.36Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.74Å
226	N	95.2	Very high	96.1	Very high	45 Å²	45	41.5 Å²	41.5	24%	0.241	20%	0.204	C	C	.	.	S	Bend	trans	62.9	20.8	176	-52.5	-45	0	0	0	116	I202 H251	I202-N226 PolarHBondContact O-ND2 2.83Å; N226-H251 PolarHBondContact N-NE2 3.26Å
227	L	95	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	-102.8	-12.3	177.4	-62.1	179.3	0	0	0	114.3	I202 L205 L214 I224 E225 L229 L230 F233 L236 H251	I202-L227 HydrophobicContact CD1-CD1 4.26Å; I202-L227 HydrophobicContact CG2-CD2 3.78Å; I202-L227 HydrophobicContact CG2-CG 4.25Å; L205-L227 HydrophobicContact CD1-CD2 4.31Å; L214-L227 HydrophobicContact CD2-CD2 3.95Å; I224-L227 HydrophobicContact CG2-CD1 3.65Å; I224-L227 HydrophobicContact CG2-CG 4.5Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.74Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 2.9Å; L227-L230 HydrophobicContact CD2-CD1 3.82Å; L227-L230 WeakPolarHBondContact O-CB 3.17Å; L227-L230 PolarHBondContact O-N 2.86Å; L227-F233 HydrophobicContact CB-CE1 4.43Å; L227-F233 HydrophobicContact CD1-CE1 3.86Å; L227-F233 HydrophobicContact CD1-CZ 4.15Å; L227-F233 HydrophobicContact CD2-CE1 4.41Å; L227-F233 HydrophobicContact CD2-CZ 4.27Å; L227-F233 HydrophobicContact CG-CE1 4.48Å; L227-L236 HydrophobicContact CD1-CD1 4.22Å; L227-L236 HydrophobicContact CD1-CD2 3.86Å; L227-H251 PolarHBondContact N-NE2 3.13Å
228	D	88.7	Confident	96.1	Very high	61 Å²	61	42.1 Å²	42.1	33%	0.326	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.6	-175.3	56.8	-49.8	0	0	0	112.9	L230 H251 Q254	D228-L230 VanDerWaalsContact C-N 3.26Å; D228-L230 PolarHBondContact O-N 2.92Å; D228-H251 WeakPolarHBondContact CB-NE2 3.05Å; D228-H251 VanDerWaalsContact CG-NE2 3.34Å; D228-H251 PolarHBondContact N-NE2 2.91Å; D228-H251 IonicContact OD1-CE1 2.74Å; D228-H251 PolarHBondContact OD1-CE1 3.21Å; D228-H251 IonicContact OD1-NE2 3.63Å; D228-H251 PolarHBondContact OD1-NE2 2.95Å; D228-H251 IonicContact OD2-CE1 2.95Å; D228-Q254 HydrophobicContact CB-CB 3.92Å
229	L	88.5	Confident	96.1	Very high	104 Å²	104	37.5 Å²	37.5	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.6	178.1	-60.7	177.3	0	0	0	113.4	E206 L227 P231	E206-L229 HydrophobicContact CB-CD1 4.09Å; E206-L229 HydrophobicContact CG-CD1 3.77Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 2.9Å; L229-P231 VanDerWaalsContact O-CD 3.29Å; L229-P231 WeakPolarHBondContact O-CD 3.21Å
230	L	94.4	Very high	96.1	Very high	11 Å²	11	40 Å²	40	6%	0.058	20%	0.202	C	C	.	.			trans	-88.7	105.4	-175.5	-59	175.2	0	0	0	110.8	L205 L211 L227 D228 N232 F233	L205-L230 VanDerWaalsContact O-CD2 3.29Å; L205-L230 WeakPolarHBondContact O-CD2 3.3Å; L211-L230 HydrophobicContact CD2-CD1 4.03Å; L227-L230 HydrophobicContact CD2-CD1 3.82Å; L227-L230 WeakPolarHBondContact O-CB 3.17Å; L227-L230 PolarHBondContact O-N 2.86Å; D228-L230 VanDerWaalsContact C-N 3.26Å; D228-L230 PolarHBondContact O-N 2.92Å; L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 2.94Å; L230-F233 HydrophobicContact CB-CB 3.65Å; L230-F233 HydrophobicContact CB-CG 4.37Å; L230-F233 HydrophobicContact CD1-CB 4.27Å; L230-F233 HydrophobicContact CD1-CD2 3.95Å; L230-F233 HydrophobicContact CD1-CG 4.11Å; L230-F233 PolarHBondContact O-N 3.44Å
231	P	90.1	Very high	96.1	Very high	63 Å²	63	37 Å²	37	41%	0.409	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.6	-167.8	32.2	-36.9	0	0	0	113.7	K209 L229 K257	K209-P231 HydrophobicContact CB-CG 4.43Å; K209-P231 VanDerWaalsContact O-CG 3.31Å; K209-P231 WeakPolarHBondContact O-CG 3.36Å; L229-P231 VanDerWaalsContact O-CD 3.29Å; L229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-K257 WeakPolarHBondContact O-CD 3.42Å; P231-K257 WeakPolarHBondContact O-CE 3.25Å; P231-K257 PolarHBondContact O-NZ 3.2Å
232	N	93.5	Very high	96	Very high	51 Å²	51	40.4 Å²	40.4	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	12.9	-177.7	-67.5	-48.1	0	0	0	112.9	K209 L211 D212 L230 T234 K257	K209-N232 PolarHBondContact O-ND2 3.45Å; L211-N232 CarbonylContact O-C 3.24Å; L211-N232 VanDerWaalsContact O-C 3.29Å; D212-N232 WeakPolarHBondContact CA-O 3.46Å; L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 2.94Å; N232-T234 WeakPolarHBondContact O-CG2 3.47Å; N232-T234 PolarHBondContact O-N 3.22Å; N232-K257 PolarHBondContact OD1-NZ 3.06Å
233	F	97.1	Very high	96.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	18%	0.175	C	C	.	.			trans	-72.9	116.8	-176.1	-170.2	-113.2	0	0	0	111.5	L211 L214 L227 L230 K235 L236 K257 L258	L211-F233 WeakPolarHBondContact O-CA 3.12Å; L211-F233 PolarHBondContact O-N 3.37Å; L214-F233 HydrophobicContact CB-CE2 3.58Å; L214-F233 HydrophobicContact CB-CZ 3.98Å; L227-F233 HydrophobicContact CB-CE1 4.43Å; L227-F233 HydrophobicContact CD1-CE1 3.86Å; L227-F233 HydrophobicContact CD1-CZ 4.15Å; L227-F233 HydrophobicContact CD2-CE1 4.41Å; L227-F233 HydrophobicContact CD2-CZ 4.27Å; L227-F233 HydrophobicContact CG-CE1 4.48Å; L230-F233 HydrophobicContact CB-CB 3.65Å; L230-F233 HydrophobicContact CB-CG 4.37Å; L230-F233 HydrophobicContact CD1-CB 4.27Å; L230-F233 HydrophobicContact CD1-CD2 3.95Å; L230-F233 HydrophobicContact CD1-CG 4.11Å; L230-F233 PolarHBondContact O-N 3.44Å; F233-K235 WeakPolarHBondContact CE2-O 3.45Å; F233-K235 WeakPolarHBondContact CZ-O 3.45Å; F233-L236 HydrophobicContact CE1-CB 3.87Å; F233-L236 HydrophobicContact CZ-CB 3.68Å; F233-L236 HydrophobicContact CZ-CD1 3.95Å; F233-L236 HydrophobicContact CZ-CG 4.31Å; F233-K257 CarbonylContact O-C 3.42Å; F233-K257 VanDerWaalsContact O-C 3.26Å; F233-K257 WeakPolarHBondContact O-CB 3.39Å; F233-L258 HydrophobicContact CD1-CD1 4.1Å; F233-L258 HydrophobicContact CE1-CD1 3.81Å; F233-L258 PolarHBondContact O-N 2.95Å
234	T	97.7	Very high	96	Very high	28 Å²	28	33 Å²	33	17%	0.172	17%	0.173	C	C	.	.			trans	-121.8	-23.9	-176.4	74.5	0	0	0	0	114.5	D212 N232 K257 S259 V260	D212-T234 VanDerWaalsContact CG-OG1 3.28Å; D212-T234 PolarHBondContact O-N 3.12Å; D212-T234 WeakPolarHBondContact OD1-CB 2.96Å; D212-T234 WeakPolarHBondContact OD1-CG2 3.25Å; D212-T234 PolarHBondContact OD1-OG1 2.98Å; N232-T234 WeakPolarHBondContact O-CG2 3.47Å; N232-T234 PolarHBondContact O-N 3.22Å; T234-K257 HydrophobicContact CG2-CB 4.33Å; T234-S259 PolarHBondContact O-N 3.35Å; T234-S259 PolarHBondContact O-OG 3.21Å; T234-S259 VanDerWaalsContact O-OG 3.13Å; T234-V260 PolarHBondContact O-N 3.22Å
235	K	98.6	Very high	95.9	Very high	71 Å²	71	38.3 Å²	38.3	31%	0.309	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.5	-176	-47.2	-171.5	-171.8	166.2	0	111.9	D212 T213 L214 F233 V260	D212-K235 PolarHBondContact O-N 3.19Å; T213-K235 WeakPolarHBondContact CA-O 3.38Å; T213-K235 HydrophobicContact CG2-CB 4.24Å; L214-K235 PolarHBondContact N-O 3.1Å; F233-K235 WeakPolarHBondContact CE2-O 3.45Å; F233-K235 WeakPolarHBondContact CZ-O 3.45Å; K235-V260 WeakPolarHBondContact CA-O 3.27Å; K235-V260 HydrophobicContact CB-CB 4.08Å; K235-V260 HydrophobicContact CD-CB 4.41Å; K235-V260 HydrophobicContact CD-CG2 4.22Å; K235-V260 HydrophobicContact CG-CB 3.9Å; K235-V260 HydrophobicContact CG-CG2 3.97Å
236	L	98.7	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.8	170.9	-179.9	60.9	0	0	0	109.7	L214 V216 I224 L227 F233 I238 L252 L258 V260 L261 D262	L214-L236 HydrophobicContact CB-CD1 4.4Å; L214-L236 HydrophobicContact CD2-CD1 4.12Å; L214-L236 HydrophobicContact CG-CD1 4.38Å; V216-L236 HydrophobicContact CG2-CD1 4.33Å; I224-L236 HydrophobicContact CD1-CD2 4.12Å; I224-L236 HydrophobicContact CG2-CD2 4.33Å; L227-L236 HydrophobicContact CD1-CD1 4.22Å; L227-L236 HydrophobicContact CD1-CD2 3.86Å; F233-L236 HydrophobicContact CE1-CB 3.87Å; F233-L236 HydrophobicContact CZ-CB 3.68Å; F233-L236 HydrophobicContact CZ-CD1 3.95Å; F233-L236 HydrophobicContact CZ-CG 4.31Å; L236-I238 HydrophobicContact CD1-CB 4.39Å; L236-I238 HydrophobicContact CD2-CG2 4.22Å; L236-I238 HydrophobicContact CG-CB 4.32Å; L236-I238 HydrophobicContact CG-CG2 4.18Å; L236-L252 HydrophobicContact CD2-CD2 3.77Å; L236-L258 HydrophobicContact CB-CD1 4Å; L236-V260 PolarHBondContact N-O 3.37Å; L236-L261 HydrophobicContact CB-CD1 4.11Å; L236-L261 HydrophobicContact CD2-CD1 3.94Å; L236-L261 HydrophobicContact CG-CD1 4.25Å; L236-D262 PolarHBondContact O-N 3.08Å
237	I	98.7	Very high	95.9	Very high	18 Å²	18	39.5 Å²	39.5	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.6	171.1	-45.1	178.4	0	0	0	107.3	L214 D215 V216 S217 D262 Y649	L214-I237 PolarHBondContact O-N 3.44Å; D215-I237 HydrophobicContact CB-CB 4.21Å; D215-I237 HydrophobicContact CB-CD1 4.41Å; V216-I237 WeakPolarHBondContact CG2-O 3.36Å; V216-I237 PolarHBondContact N-O 3.39Å; S217-I237 WeakPolarHBondContact OG-CG2 3.3Å; I237-D262 HydrophobicContact CB-CB 4.42Å; I237-D262 HydrophobicContact CG2-CB 3.88Å; I237-Y649 HydrophobicContact CD1-CE1 4.03Å; I237-Y649 HydrophobicContact CD1-CE2 4.39Å
238	I	98.4	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.			trans	-133.9	34.4	-176.5	-167.9	165.3	0	0	0	110.5	I202 V216 I221 I224 L236 N241 L243 D262 I263 N266	I202-I238 HydrophobicContact CD1-CD1 4.2Å; V216-I238 HydrophobicContact CG2-CB 3.96Å; V216-I238 HydrophobicContact CG2-CD1 4.07Å; V216-I238 HydrophobicContact CG2-CG1 3.83Å; I221-I238 HydrophobicContact CB-CD1 4.22Å; I221-I238 HydrophobicContact CD1-CD1 4.06Å; I221-I238 HydrophobicContact CD1-CG1 4.42Å; I221-I238 HydrophobicContact CG2-CD1 3.92Å; I224-I238 HydrophobicContact CD1-CD1 4.45Å; I224-I238 HydrophobicContact CD1-CG2 4.48Å; I224-I238 HydrophobicContact CG1-CD1 4.01Å; L236-I238 HydrophobicContact CD1-CB 4.39Å; L236-I238 HydrophobicContact CD2-CG2 4.22Å; L236-I238 HydrophobicContact CG-CB 4.32Å; L236-I238 HydrophobicContact CG-CG2 4.18Å; I238-N241 HydrophobicContact CG1-CB 4.02Å; I238-N241 WeakPolarHBondContact CG1-ND2 3.23Å; I238-N241 PolarHBondContact O-ND2 3.3Å; I238-L243 HydrophobicContact CD1-CD1 4.32Å; I238-L243 HydrophobicContact CG2-CD1 4.17Å; I238-D262 CarbonylContact C-O 3.41Å; I238-D262 WeakPolarHBondContact CG2-O 3.28Å; I238-D262 PolarHBondContact N-O 2.59Å; I238-I263 HydrophobicContact CG2-CB 4.4Å; I238-I263 HydrophobicContact CG2-CG2 3.59Å; I238-N266 PolarHBondContact O-ND2 2.93Å
239	S	98.2	Very high	96.5	Very high	11 Å²	11	37.5 Å²	37.5	8%	0.077	20%	0.195	C	C	.	.			trans	-65.2	155.7	177.3	63.9	0	0	0	0	111.7	S217 Y218 N241 Q264	S217-S239 CarbonylContact C-O 3.29Å; S217-S239 WeakPolarHBondContact CA-O 3.48Å; S217-S239 VanDerWaalsContact CB-OG 3.32Å; S217-S239 WeakPolarHBondContact CB-OG 3.34Å; S217-S239 PolarHBondContact OG-OG 3.44Å; Y218-S239 PolarHBondContact N-O 2.83Å; S239-N241 PolarHBondContact O-N 2.96Å; S239-N241 PolarHBondContact O-ND2 3.39Å; S239-Q264 CarbonylContact C-O 3.28Å; S239-Q264 WeakPolarHBondContact CA-O 3.36Å; S239-Q264 WeakPolarHBondContact CB-O 3.23Å
240	H	98.5	Very high	96.8	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.255	19%	0.185	S	C	.	.	S	Bend	trans	53.4	47	179	-62.8	-85.4	0	0	0	114.2	Y218 Q264 Y265	Y218-H240 WeakPolarHBondContact CA-O 3.31Å; Y218-H240 HydrophobicContact CD1-CB 3.47Å; Y218-H240 VanDerWaalsContact CD1-CB 3.47Å; Y218-H240 AromaticContact CD1-CG 3.67Å; Y218-H240 HydrophobicContact CD2-CB 4.39Å; Y218-H240 HydrophobicContact CE1-CB 3.67Å; Y218-H240 AromaticContact CE1-CD2 3.31Å; Y218-H240 WeakPolarHBondContact CE1-CD2 3.43Å; Y218-H240 AromaticContact CE1-CE1 3.86Å; Y218-H240 AromaticContact CE1-CG 3.28Å; Y218-H240 AromaticContact CE1-ND1 3.64Å; Y218-H240 AromaticContact CE1-NE2 3.65Å; Y218-H240 AromaticContact CE2-CD2 3.67Å; Y218-H240 HydrophobicContact CG-CB 3.85Å; Y218-H240 AromaticContact CZ-CD2 3.11Å; Y218-H240 AromaticContact CZ-CG 3.64Å; Y218-H240 AromaticContact CZ-NE2 3.4Å; Y218-H240 PolarHBondContact OH-CD2 3.47Å; Y218-H240 PolarHBondContact OH-NE2 3.32Å; H240-Q264 PolarHBondContact N-O 2.94Å; H240-Y265 WeakPolarHBondContact CA-O 3.1Å; H240-Y265 AromaticContact CD2-CD2 3.95Å; H240-Y265 VanDerWaalsContact CE1-CB 3.42Å; H240-Y265 WeakPolarHBondContact CE1-CB 3.39Å; H240-Y265 AromaticContact CE1-CD2 3.34Å; H240-Y265 WeakPolarHBondContact CE1-CD2 3.31Å; H240-Y265 AromaticContact CE1-CG 3.35Å; H240-Y265 WeakPolarHBondContact ND1-CB 3.34Å; H240-Y265 AromaticContact ND1-CG 3.85Å; H240-Y265 AromaticContact NE2-CD2 3.23Å; H240-Y265 WeakPolarHBondContact NE2-CD2 3.42Å; H240-Y265 AromaticContact NE2-CE2 3.88Å; H240-Y265 AromaticContact NE2-CG 3.75Å
241	N	98.6	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-111.7	-158.8	173.6	-86.8	-83.6	0	0	0	110.4	V216 N219 M220 I221 I238 S239 N266 F267	V216-N241 PolarHBondContact O-ND2 2.89Å; N219-N241 WeakPolarHBondContact CA-OD1 3.41Å; N219-N241 WeakPolarHBondContact CB-OD1 3.38Å; N219-N241 PolarHBondContact N-OD1 3.26Å; N219-N241 PolarHBondContact O-OD1 3.39Å; M220-N241 PolarHBondContact N-OD1 3.42Å; I221-N241 HydrophobicContact CB-CB 4.39Å; I221-N241 VanDerWaalsContact CB-OD1 3.31Å; I221-N241 WeakPolarHBondContact CB-OD1 3.48Å; I221-N241 PolarHBondContact N-OD1 3.1Å; I238-N241 HydrophobicContact CG1-CB 4.02Å; I238-N241 WeakPolarHBondContact CG1-ND2 3.23Å; I238-N241 PolarHBondContact O-ND2 3.3Å; S239-N241 PolarHBondContact O-N 2.96Å; S239-N241 PolarHBondContact O-ND2 3.39Å; N241-N266 VanDerWaalsContact CA-OD1 3.23Å; N241-N266 WeakPolarHBondContact CA-OD1 3.41Å; N241-N266 WeakPolarHBondContact CB-OD1 3.37Å; N241-N266 PolarHBondContact N-OD1 3.42Å; N241-N266 PolarHBondContact O-OD1 2.72Å; N241-F267 WeakPolarHBondContact O-CE2 3.15Å
242	K	97.4	Very high	97.1	Very high	71 Å²	71	33.4 Å²	33.4	31%	0.309	17%	0.169	S	C	.	.			trans	-121.4	31.1	-175	-55.8	-62.2	174.4	-167.3	0	112	M220 I221 Q222 N266 F267	M220-K242 HydrophobicContact CE-CG 4.32Å; M220-K242 HydrophobicContact SD-CG 4.44Å; I221-K242 CarbonylContact O-C 3.5Å; I221-K242 WeakPolarHBondContact O-CA 3.45Å; I221-K242 PolarHBondContact O-N 3.43Å; Q222-K242 HydrophobicContact CG-CB 3.8Å; K242-N266 PolarHBondContact N-OD1 3.49Å; K242-F267 HydrophobicContact CD-CD2 4.19Å; K242-F267 HydrophobicContact CD-CE2 3.75Å
243	L	98.2	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.			trans	-67.3	131.9	173	-53.6	172.7	0	0	0	109.2	Q222 I224 I238 D248 L249 I263 N266 F267 I268	Q222-L243 WeakPolarHBondContact O-CD2 3.14Å; I224-L243 HydrophobicContact CD1-CD1 3.96Å; I224-L243 HydrophobicContact CD1-CD2 4.49Å; I224-L243 HydrophobicContact CG1-CD1 4.23Å; I224-L243 HydrophobicContact CG1-CD2 3.9Å; I238-L243 HydrophobicContact CD1-CD1 4.32Å; I238-L243 HydrophobicContact CG2-CD1 4.17Å; L243-D248 HydrophobicContact CD2-CB 4.06Å; L243-L249 HydrophobicContact CB-CD1 4.37Å; L243-I263 HydrophobicContact CD1-CG2 4.42Å; L243-N266 HydrophobicContact CB-CB 3.99Å; L243-N266 WeakPolarHBondContact CB-OD1 3.13Å; L243-N266 WeakPolarHBondContact CG-OD1 3.16Å; L243-N266 PolarHBondContact N-OD1 3.5Å; L243-N266 VanDerWaalsContact N-OD1 3.11Å; L243-F267 CarbonylContact O-C 3.54Å; L243-F267 VanDerWaalsContact O-C 3.24Å; L243-F267 WeakPolarHBondContact O-CA 3.32Å; L243-F267 PolarHBondContact O-N 3.31Å; L243-I268 HydrophobicContact CB-CD1 4.44Å; L243-I268 HydrophobicContact CB-CG1 4.16Å; L243-I268 PolarHBondContact O-N 3.44Å
244	T	97.3	Very high	97.1	Very high	63 Å²	63	38.7 Å²	38.7	39%	0.387	19%	0.193	S	C	.	.			trans	-130.2	-43.6	-173.3	56.2	0	0	0	0	113.9	D248 F267 I268 K269	T244-D248 PolarHBondContact N-OD2 2.95Å; T244-D248 PolarHBondContact OG1-OD2 3.38Å; T244-F267 HydrophobicContact CG2-CB 4.05Å; T244-I268 WeakPolarHBondContact O-CA 3.45Å; T244-K269 PolarHBondContact O-N 3.36Å
245	E	95.4	Very high	97	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	19%	0.187	S	C	.	.	S	Bend	trans	-107	158.9	-172.4	-64.9	-175.7	-177.2	0	0	111	N247 D248 L249	E245-N247 PolarHBondContact O-N 2.89Å; E245-D248 PolarHBondContact N-OD2 3.36Å; E245-D248 VanDerWaalsContact O-CB 3.29Å; E245-D248 WeakPolarHBondContact O-CB 3.42Å; E245-D248 PolarHBondContact O-N 3.37Å; E245-L249 WeakPolarHBondContact O-CD1 3.4Å
246	I	95.5	Very high	96.6	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.067	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.9	-39.9	173.2	-64.3	-172.4	0	0	0	111	D248 L249 I250 D270 N272 V273 E276 V277	I246-D248 PolarHBondContact O-N 3.16Å; I246-D248 VanDerWaalsContact O-N 3.09Å; I246-L249 PolarHBondContact O-N 3.18Å; I246-I250 HydrophobicContact CG2-CD1 4.41Å; I246-I250 HydrophobicContact CG2-CG1 4.16Å; I246-I250 WeakPolarHBondContact O-CG1 3.26Å; I246-I250 PolarHBondContact O-N 3.07Å; I246-D270 HydrophobicContact CD1-CB 3.71Å; I246-D270 WeakPolarHBondContact CD1-OD2 3.34Å; I246-D270 HydrophobicContact CG1-CB 3.66Å; I246-N272 HydrophobicContact CD1-CB 3.63Å; I246-V273 HydrophobicContact CG1-CB 4.24Å; I246-E276 HydrophobicContact CG2-CB 4.49Å; I246-V277 HydrophobicContact CG2-CG2 3.76Å
247	N	96.1	Very high	96.4	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58	-23.9	179	-70.2	-36.4	0	0	0	113.3	E245 L249 I250	E245-N247 PolarHBondContact O-N 2.89Å; N247-L249 PolarHBondContact O-N 2.95Å; N247-I250 VanDerWaalsContact OD1-CD1 3.22Å; N247-I250 WeakPolarHBondContact OD1-CD1 3.33Å
248	D	97.3	Very high	96.4	Very high	18 Å²	18	41.5 Å²	41.5	10%	0.096	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-71.7	-17.9	177.2	-58.4	-28.3	0	0	0	112	Q222 I224 L243 T244 E245 I246	Q222-D248 VanDerWaalsContact O-CB 3.28Å; Q222-D248 WeakPolarHBondContact O-CB 3.31Å; I224-D248 VanDerWaalsContact CB-O 3.27Å; I224-D248 WeakPolarHBondContact CB-O 3.37Å; I224-D248 WeakPolarHBondContact CG1-O 3.42Å; I224-D248 PolarHBondContact N-O 2.99Å; L243-D248 HydrophobicContact CD2-CB 4.06Å; T244-D248 PolarHBondContact N-OD2 2.95Å; T244-D248 PolarHBondContact OG1-OD2 3.38Å; E245-D248 PolarHBondContact N-OD2 3.36Å; E245-D248 VanDerWaalsContact O-CB 3.29Å; E245-D248 WeakPolarHBondContact O-CB 3.42Å; E245-D248 PolarHBondContact O-N 3.37Å; I246-D248 PolarHBondContact O-N 3.16Å; I246-D248 VanDerWaalsContact O-N 3.09Å
249	L	97.6	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-15.2	-174.6	-70.6	89	0	0	0	114.2	I224 L243 E245 I246 N247 H251 L252 I263 I268 V273 V277 F278	I224-L249 HydrophobicContact CD1-CG 4.39Å; L243-L249 HydrophobicContact CB-CD1 4.37Å; E245-L249 WeakPolarHBondContact O-CD1 3.4Å; I246-L249 PolarHBondContact O-N 3.18Å; N247-L249 PolarHBondContact O-N 2.95Å; L249-H251 PolarHBondContact O-N 3.09Å; L249-L252 HydrophobicContact CB-CD1 4.12Å; L249-L252 HydrophobicContact CD2-CD1 4.23Å; L249-L252 HydrophobicContact CG-CD1 4.37Å; L249-L252 VanDerWaalsContact O-CB 3.26Å; L249-L252 WeakPolarHBondContact O-CB 3.29Å; L249-L252 VanDerWaalsContact O-CG 3.29Å; L249-L252 WeakPolarHBondContact O-CG 3.32Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-I263 HydrophobicContact CD2-CD1 3.86Å; L249-I268 HydrophobicContact CD1-CD1 3.75Å; L249-I268 HydrophobicContact CD1-CG1 4.04Å; L249-I268 HydrophobicContact CD2-CD1 3.69Å; L249-I268 HydrophobicContact CG-CD1 4.34Å; L249-V273 HydrophobicContact CD2-CG2 4.12Å; L249-V277 HydrophobicContact CB-CG1 4.02Å; L249-V277 HydrophobicContact CB-CG2 4.29Å; L249-F278 HydrophobicContact CD2-CE1 4Å; L249-F278 HydrophobicContact CD2-CZ 4.31Å
250	I	95.6	Very high	96.4	Very high	64 Å²	64	43.7 Å²	43.7	33%	0.328	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.6	-31.3	-176.8	-71.4	176	0	0	0	112.4	I246 N247 L252 I253	I246-I250 HydrophobicContact CG2-CD1 4.41Å; I246-I250 HydrophobicContact CG2-CG1 4.16Å; I246-I250 WeakPolarHBondContact O-CG1 3.26Å; I246-I250 PolarHBondContact O-N 3.07Å; N247-I250 VanDerWaalsContact OD1-CD1 3.22Å; N247-I250 WeakPolarHBondContact OD1-CD1 3.33Å; I250-L252 PolarHBondContact O-N 3.36Å; I250-I253 HydrophobicContact CG2-CD1 4.41Å; I250-I253 WeakPolarHBondContact O-CB 3.36Å; I250-I253 WeakPolarHBondContact O-CG1 3.29Å; I250-I253 PolarHBondContact O-N 3Å; I250-I253 VanDerWaalsContact O-N 3.17Å
251	H	95.4	Very high	96.4	Very high	28 Å²	28	41 Å²	41	13%	0.13	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.8	178.6	-156.8	68.5	0	0	0	113.5	I224 N226 L227 D228 L249 I253 Q254	I224-H251 HydrophobicContact CG2-CB 4.42Å; I224-H251 WeakPolarHBondContact O-CB 3.45Å; N226-H251 PolarHBondContact N-NE2 3.26Å; L227-H251 PolarHBondContact N-NE2 3.13Å; D228-H251 WeakPolarHBondContact CB-NE2 3.05Å; D228-H251 VanDerWaalsContact CG-NE2 3.34Å; D228-H251 PolarHBondContact N-NE2 2.91Å; D228-H251 IonicContact OD1-CE1 2.74Å; D228-H251 PolarHBondContact OD1-CE1 3.21Å; D228-H251 IonicContact OD1-NE2 3.63Å; D228-H251 PolarHBondContact OD1-NE2 2.95Å; D228-H251 IonicContact OD2-CE1 2.95Å; L249-H251 PolarHBondContact O-N 3.09Å; H251-I253 PolarHBondContact O-N 3.09Å; H251-Q254 WeakPolarHBondContact O-CB 3.37Å; H251-Q254 PolarHBondContact O-N 2.87Å
252	L	96.4	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.5	-27.3	179.3	-64.3	172.2	0	0	0	113.2	I224 L236 L249 I250 Q254 C255 L258 L261 V277 I281	I224-L252 HydrophobicContact CD1-CD1 3.81Å; I224-L252 HydrophobicContact CD1-CD2 3.91Å; I224-L252 HydrophobicContact CD1-CG 3.92Å; I224-L252 HydrophobicContact CG2-CD2 3.93Å; I224-L252 HydrophobicContact CG2-CG 4.33Å; L236-L252 HydrophobicContact CD2-CD2 3.77Å; L249-L252 HydrophobicContact CB-CD1 4.12Å; L249-L252 HydrophobicContact CD2-CD1 4.23Å; L249-L252 HydrophobicContact CG-CD1 4.37Å; L249-L252 VanDerWaalsContact O-CB 3.26Å; L249-L252 WeakPolarHBondContact O-CB 3.29Å; L249-L252 VanDerWaalsContact O-CG 3.29Å; L249-L252 WeakPolarHBondContact O-CG 3.32Å; L249-L252 PolarHBondContact O-N 2.85Å; I250-L252 PolarHBondContact O-N 3.36Å; L252-Q254 PolarHBondContact O-N 3.48Å; L252-C255 WeakPolarHBondContact O-CB 3.35Å; L252-C255 PolarHBondContact O-N 2.98Å; L252-C255 VanDerWaalsContact O-N 3.16Å; L252-L258 HydrophobicContact CB-CD2 4.33Å; L252-L258 HydrophobicContact CD2-CD2 3.67Å; L252-L261 HydrophobicContact CD1-CD1 4.16Å; L252-L261 HydrophobicContact CD1-CD2 3.68Å; L252-L261 HydrophobicContact CD2-CD1 4.21Å; L252-V277 HydrophobicContact CD1-CG1 4.46Å; L252-I281 HydrophobicContact CB-CD1 3.99Å; L252-I281 HydrophobicContact CB-CG1 4.36Å; L252-I281 HydrophobicContact CD1-CD1 4.43Å
253	I	95.6	Very high	96.4	Very high	53 Å²	53	38.4 Å²	38.4	27%	0.272	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-64.4	-29	179	-57.1	169.5	0	0	0	110.8	I250 H251 C255 E276 V277 K280	I250-I253 HydrophobicContact CG2-CD1 4.41Å; I250-I253 WeakPolarHBondContact O-CB 3.36Å; I250-I253 WeakPolarHBondContact O-CG1 3.29Å; I250-I253 PolarHBondContact O-N 3Å; I250-I253 VanDerWaalsContact O-N 3.17Å; H251-I253 PolarHBondContact O-N 3.09Å; I253-C255 VanDerWaalsContact C-N 3.34Å; I253-E276 WeakPolarHBondContact CD1-O 3.29Å; I253-V277 HydrophobicContact CG1-CG1 4.41Å; I253-K280 HydrophobicContact CD1-CB 4.2Å; I253-K280 HydrophobicContact CD1-CD 4.32Å; I253-K280 HydrophobicContact CG1-CB 4.17Å; I253-K280 HydrophobicContact CG2-CB 4.09Å
254	Q	94.8	Very high	96.4	Very high	111 Å²	111	39.9 Å²	39.9	52%	0.519	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-80	-18.3	-179.7	-59.4	177.1	56.5	0	0	112.2	D228 H251 L252 S256	D228-Q254 HydrophobicContact CB-CB 3.92Å; H251-Q254 WeakPolarHBondContact O-CB 3.37Å; H251-Q254 PolarHBondContact O-N 2.87Å; L252-Q254 PolarHBondContact O-N 3.48Å; Q254-S256 PolarHBondContact O-N 2.85Å
255	C	94.7	Very high	96.4	Very high	6 Å²	6	42 Å²	42	4%	0.041	21%	0.212	C	C	.	.			trans	-77.9	82.3	180	-60.8	0	0	0	0	111.2	L252 I253 K257 L258	L252-C255 WeakPolarHBondContact O-CB 3.35Å; L252-C255 PolarHBondContact O-N 2.98Å; L252-C255 VanDerWaalsContact O-N 3.16Å; I253-C255 VanDerWaalsContact C-N 3.34Å; C255-K257 VanDerWaalsContact C-N 3.26Å; C255-K257 PolarHBondContact O-N 2.81Å; C255-K257 VanDerWaalsContact O-N 3.09Å; C255-L258 HydrophobicContact CB-CB 3.79Å; C255-L258 HydrophobicContact CB-CD2 4.4Å; C255-L258 WeakPolarHBondContact O-CB 3.5Å; C255-L258 PolarHBondContact O-N 3.31Å; C255-L258 VanDerWaalsContact O-N 3.09Å
256	S	90.4	Very high	96.6	Very high	75 Å²	75	36.8 Å²	36.8	52%	0.524	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.3	-171.6	62.7	0	0	0	0	115.8	Q254 N283	Q254-S256 PolarHBondContact O-N 2.85Å; S256-N283 PolarHBondContact O-ND2 3.13Å
257	K	95.4	Very high	96.7	Very high	95 Å²	95	40.5 Å²	40.5	41%	0.413	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	0.2	-178.9	-66.9	-166	-172.3	163	0	114.6	P231 N232 F233 T234 C255 S259	P231-K257 WeakPolarHBondContact O-CD 3.42Å; P231-K257 WeakPolarHBondContact O-CE 3.25Å; P231-K257 PolarHBondContact O-NZ 3.2Å; N232-K257 PolarHBondContact OD1-NZ 3.06Å; F233-K257 CarbonylContact O-C 3.42Å; F233-K257 VanDerWaalsContact O-C 3.26Å; F233-K257 WeakPolarHBondContact O-CB 3.39Å; T234-K257 HydrophobicContact CG2-CB 4.33Å; C255-K257 VanDerWaalsContact C-N 3.26Å; C255-K257 PolarHBondContact O-N 2.81Å; C255-K257 VanDerWaalsContact O-N 3.09Å; K257-S259 PolarHBondContact O-N 2.94Å
258	L	97.4	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.			trans	-61.5	125.9	-179.6	-174.9	70.6	0	0	0	110	F233 L236 L252 C255 N283	F233-L258 HydrophobicContact CD1-CD1 4.1Å; F233-L258 HydrophobicContact CE1-CD1 3.81Å; F233-L258 PolarHBondContact O-N 2.95Å; L236-L258 HydrophobicContact CB-CD1 4Å; L252-L258 HydrophobicContact CB-CD2 4.33Å; L252-L258 HydrophobicContact CD2-CD2 3.67Å; C255-L258 HydrophobicContact CB-CB 3.79Å; C255-L258 HydrophobicContact CB-CD2 4.4Å; C255-L258 WeakPolarHBondContact O-CB 3.5Å; C255-L258 PolarHBondContact O-N 3.31Å; C255-L258 VanDerWaalsContact O-N 3.09Å; L258-N283 CarbonylContact O-C 3.49Å; L258-N283 VanDerWaalsContact O-C 3.28Å
259	S	97.6	Very high	96.7	Very high	27 Å²	27	42.1 Å²	42.1	19%	0.189	21%	0.205	C	C	.	.			trans	-128.5	-32.7	-174.7	68.3	0	0	0	0	113.7	T234 K257 N283 R285 V286	T234-S259 PolarHBondContact O-N 3.35Å; T234-S259 PolarHBondContact O-OG 3.21Å; T234-S259 VanDerWaalsContact O-OG 3.13Å; K257-S259 PolarHBondContact O-N 2.94Å; S259-N283 VanDerWaalsContact CA-O 3.32Å; S259-N283 WeakPolarHBondContact CA-O 3.47Å; S259-R285 PolarHBondContact O-N 2.97Å; S259-V286 PolarHBondContact O-N 3.25Å
260	V	98.6	Very high	96.6	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.6	177.1	-176.7	0	0	0	0	108.4	T234 K235 L236 V286	T234-V260 PolarHBondContact O-N 3.22Å; K235-V260 WeakPolarHBondContact CA-O 3.27Å; K235-V260 HydrophobicContact CB-CB 4.08Å; K235-V260 HydrophobicContact CD-CB 4.41Å; K235-V260 HydrophobicContact CD-CG2 4.22Å; K235-V260 HydrophobicContact CG-CB 3.9Å; K235-V260 HydrophobicContact CG-CG2 3.97Å; L236-V260 PolarHBondContact N-O 3.37Å; V260-V286 HydrophobicContact CB-CB 4.37Å; V260-V286 HydrophobicContact CG1-CB 4.13Å; V260-V286 HydrophobicContact CG1-CG1 4.17Å; V260-V286 HydrophobicContact CG2-CB 4.13Å; V260-V286 HydrophobicContact CG2-CG2 4.24Å
261	L	98.6	Very high	96.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.9	177.6	-179.6	62.9	0	0	0	109.6	L236 L252 I263 F278 I281 L284 V286 L287 Y288	L236-L261 HydrophobicContact CB-CD1 4.11Å; L236-L261 HydrophobicContact CD2-CD1 3.94Å; L236-L261 HydrophobicContact CG-CD1 4.25Å; L252-L261 HydrophobicContact CD1-CD1 4.16Å; L252-L261 HydrophobicContact CD1-CD2 3.68Å; L252-L261 HydrophobicContact CD2-CD1 4.21Å; L261-I263 HydrophobicContact CD1-CG2 3.6Å; L261-I263 HydrophobicContact CD2-CG2 4.18Å; L261-I263 HydrophobicContact CG-CG2 3.77Å; L261-F278 HydrophobicContact CD2-CE1 4.32Å; L261-I281 HydrophobicContact CD2-CD1 4.17Å; L261-L284 HydrophobicContact CB-CD1 3.95Å; L261-V286 PolarHBondContact N-O 3.49Å; L261-L287 HydrophobicContact CB-CD1 4.06Å; L261-L287 HydrophobicContact CD2-CD1 3.82Å; L261-L287 HydrophobicContact CG-CD1 4.07Å; L261-L287 WeakPolarHBondContact O-CA 3.16Å; L261-Y288 PolarHBondContact O-N 3.31Å
262	D	98.6	Very high	96.6	Very high	16 Å²	16	46.7 Å²	46.7	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.1	169.2	-179.8	-2.9	0	0	0	109.4	L236 I237 I238 Q264 Y288	L236-D262 PolarHBondContact O-N 3.08Å; I237-D262 HydrophobicContact CB-CB 4.42Å; I237-D262 HydrophobicContact CG2-CB 3.88Å; I238-D262 CarbonylContact C-O 3.41Å; I238-D262 WeakPolarHBondContact CG2-O 3.28Å; I238-D262 PolarHBondContact N-O 2.59Å; D262-Q264 VanDerWaalsContact CG-NE2 3.34Å; D262-Q264 WeakPolarHBondContact OD1-CB 3.34Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.38Å; D262-Q264 PolarHBondContact OD1-N 2.87Å; D262-Q264 PolarHBondContact OD1-NE2 3.06Å; D262-Q264 PolarHBondContact OD2-NE2 3.3Å; D262-Q264 VanDerWaalsContact OD2-NE2 3.14Å; D262-Y288 HydrophobicContact CB-CD2 3.93Å; D262-Y288 HydrophobicContact CB-CG 4.47Å
263	I	98.1	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.			trans	-120.8	21.9	178	59.5	169.2	0	0	0	111.3	I238 L243 L249 L261 N266 I268 F278 Y288 N289 N292	I238-I263 HydrophobicContact CG2-CB 4.4Å; I238-I263 HydrophobicContact CG2-CG2 3.59Å; L243-I263 HydrophobicContact CD1-CG2 4.42Å; L249-I263 HydrophobicContact CD2-CD1 3.86Å; L261-I263 HydrophobicContact CD1-CG2 3.6Å; L261-I263 HydrophobicContact CD2-CG2 4.18Å; L261-I263 HydrophobicContact CG-CG2 3.77Å; I263-N266 PolarHBondContact O-ND2 3.18Å; I263-I268 HydrophobicContact CD1-CD1 3.74Å; I263-F278 HydrophobicContact CD1-CE1 3.76Å; I263-F278 HydrophobicContact CD1-CZ 3.48Å; I263-F278 VanDerWaalsContact CD1-CZ 3.48Å; I263-Y288 WeakPolarHBondContact CG1-O 3.46Å; I263-Y288 PolarHBondContact N-O 3.34Å; I263-N289 WeakPolarHBondContact CD1-OD1 3.17Å; I263-N289 WeakPolarHBondContact CG1-OD1 3.21Å; I263-N292 PolarHBondContact O-ND2 3.14Å
264	Q	98.2	Very high	96.6	Very high	30 Å²	30	44.2 Å²	44.2	14%	0.14	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	150.5	-176.8	-66.8	173.8	107.7	0	0	112.4	S239 H240 D262 N266 Y288 Q290	S239-Q264 CarbonylContact C-O 3.28Å; S239-Q264 WeakPolarHBondContact CA-O 3.36Å; S239-Q264 WeakPolarHBondContact CB-O 3.23Å; H240-Q264 PolarHBondContact N-O 2.94Å; D262-Q264 VanDerWaalsContact CG-NE2 3.34Å; D262-Q264 WeakPolarHBondContact OD1-CB 3.34Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.38Å; D262-Q264 PolarHBondContact OD1-N 2.87Å; D262-Q264 PolarHBondContact OD1-NE2 3.06Å; D262-Q264 PolarHBondContact OD2-NE2 3.3Å; D262-Q264 VanDerWaalsContact OD2-NE2 3.14Å; Q264-N266 PolarHBondContact O-N 3.17Å; Q264-N266 VanDerWaalsContact O-N 3.13Å; Q264-N266 PolarHBondContact O-ND2 3.38Å; Q264-Y288 PolarHBondContact N-O 3.16Å; Q264-Q290 CarbonylContact C-O 3.58Å; Q264-Q290 WeakPolarHBondContact CA-O 3.38Å; Q264-Q290 WeakPolarHBondContact CB-O 3.39Å; Q264-Q290 HydrophobicContact CG-CB 4.07Å
265	Y	98.1	Very high	96.6	Very high	107 Å²	107	44 Å²	44	42%	0.42	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.5	175	-55.3	-76.7	0	0	0	113.8	H240 Q290	H240-Y265 WeakPolarHBondContact CA-O 3.1Å; H240-Y265 AromaticContact CD2-CD2 3.95Å; H240-Y265 VanDerWaalsContact CE1-CB 3.42Å; H240-Y265 WeakPolarHBondContact CE1-CB 3.39Å; H240-Y265 AromaticContact CE1-CD2 3.34Å; H240-Y265 WeakPolarHBondContact CE1-CD2 3.31Å; H240-Y265 AromaticContact CE1-CG 3.35Å; H240-Y265 WeakPolarHBondContact ND1-CB 3.34Å; H240-Y265 AromaticContact ND1-CG 3.85Å; H240-Y265 AromaticContact NE2-CD2 3.23Å; H240-Y265 WeakPolarHBondContact NE2-CD2 3.42Å; H240-Y265 AromaticContact NE2-CE2 3.88Å; H240-Y265 AromaticContact NE2-CG 3.75Å; Y265-Q290 PolarHBondContact N-O 3.04Å
266	N	98.4	Very high	96.7	Very high	2 Å²	2	48 Å²	48	1%	0.011	24%	0.239	C	C	.	.			trans	-90.5	-173.2	160	-78.8	-82.4	0	0	0	109.3	I238 N241 K242 L243 I263 Q264 I268 N292	I238-N266 PolarHBondContact O-ND2 2.93Å; N241-N266 VanDerWaalsContact CA-OD1 3.23Å; N241-N266 WeakPolarHBondContact CA-OD1 3.41Å; N241-N266 WeakPolarHBondContact CB-OD1 3.37Å; N241-N266 PolarHBondContact N-OD1 3.42Å; N241-N266 PolarHBondContact O-OD1 2.72Å; K242-N266 PolarHBondContact N-OD1 3.49Å; L243-N266 HydrophobicContact CB-CB 3.99Å; L243-N266 WeakPolarHBondContact CB-OD1 3.13Å; L243-N266 WeakPolarHBondContact CG-OD1 3.16Å; L243-N266 PolarHBondContact N-OD1 3.5Å; L243-N266 VanDerWaalsContact N-OD1 3.11Å; I263-N266 PolarHBondContact O-ND2 3.18Å; Q264-N266 PolarHBondContact O-N 3.17Å; Q264-N266 VanDerWaalsContact O-N 3.13Å; Q264-N266 PolarHBondContact O-ND2 3.38Å; N266-I268 HydrophobicContact CB-CD1 4.4Å; N266-I268 HydrophobicContact CB-CG1 4.3Å; N266-N292 WeakPolarHBondContact CA-OD1 3.35Å; N266-N292 WeakPolarHBondContact CB-OD1 3.42Å; N266-N292 PolarHBondContact N-OD1 2.99Å; N266-N292 PolarHBondContact O-OD1 3.27Å
267	F	97.7	Very high	97	Very high	92 Å²	92	44.4 Å²	44.4	40%	0.404	21%	0.214	S	C	.	.			trans	-117	33.9	-173.8	-59.9	-84.7	0	0	0	111.3	N241 K242 L243 T244 K269	N241-F267 WeakPolarHBondContact O-CE2 3.15Å; K242-F267 HydrophobicContact CD-CD2 4.19Å; K242-F267 HydrophobicContact CD-CE2 3.75Å; L243-F267 CarbonylContact O-C 3.54Å; L243-F267 VanDerWaalsContact O-C 3.24Å; L243-F267 WeakPolarHBondContact O-CA 3.32Å; L243-F267 PolarHBondContact O-N 3.31Å; T244-F267 HydrophobicContact CG2-CB 4.05Å; F267-K269 PolarHBondContact O-N 3.33Å
268	I	97.9	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	-70.9	118.7	-178.6	-56.3	164.6	0	0	0	109.3	L243 T244 L249 I263 N266 V273 N292 P293 F294	L243-I268 HydrophobicContact CB-CD1 4.44Å; L243-I268 HydrophobicContact CB-CG1 4.16Å; L243-I268 PolarHBondContact O-N 3.44Å; T244-I268 WeakPolarHBondContact O-CA 3.45Å; L249-I268 HydrophobicContact CD1-CD1 3.75Å; L249-I268 HydrophobicContact CD1-CG1 4.04Å; L249-I268 HydrophobicContact CD2-CD1 3.69Å; L249-I268 HydrophobicContact CG-CD1 4.34Å; I263-I268 HydrophobicContact CD1-CD1 3.74Å; N266-I268 HydrophobicContact CB-CD1 4.4Å; N266-I268 HydrophobicContact CB-CG1 4.3Å; I268-V273 HydrophobicContact CG2-CB 4.36Å; I268-V273 HydrophobicContact CG2-CG1 4.27Å; I268-V273 HydrophobicContact CG2-CG2 4.34Å; I268-N292 HydrophobicContact CB-CB 4.33Å; I268-N292 WeakPolarHBondContact CB-OD1 3.39Å; I268-N292 WeakPolarHBondContact CG1-OD1 3.38Å; I268-N292 PolarHBondContact N-OD1 2.93Å; I268-P293 VanDerWaalsContact O-CD 3.23Å; I268-P293 WeakPolarHBondContact O-CD 3.27Å; I268-F294 HydrophobicContact CB-CD1 3.92Å; I268-F294 HydrophobicContact CB-CE1 4.38Å; I268-F294 HydrophobicContact CG2-CD1 3.75Å; I268-F294 HydrophobicContact CG2-CE1 4.3Å; I268-F294 HydrophobicContact CG2-CG 4.48Å; I268-F294 PolarHBondContact O-N 3.21Å
269	K	95.7	Very high	97	Very high	148 Å²	148	41.7 Å²	41.7	64%	0.643	21%	0.209	S	C	*	.			trans	-102.8	-32.9	-175.2	-63.2	179.2	-176.1	179.2	0	114.2	T244 F267 S271 P293 F294	T244-K269 PolarHBondContact O-N 3.36Å; F267-K269 PolarHBondContact O-N 3.33Å; K269-S271 PolarHBondContact O-N 2.9Å; K269-P293 HydrophobicContact CG-CB 4.12Å; K269-P293 HydrophobicContact CG-CG 4.23Å; K269-F294 WeakPolarHBondContact O-CB 3.38Å
270	D	95.4	Very high	97	Very high	65 Å²	65	45.9 Å²	45.9	35%	0.348	22%	0.224	S	C	.	.			trans	-77.3	123	-172.1	-165.7	-25	0	0	0	111	I246 N272 V273	I246-D270 HydrophobicContact CD1-CB 3.71Å; I246-D270 WeakPolarHBondContact CD1-OD2 3.34Å; I246-D270 HydrophobicContact CG1-CB 3.66Å; D270-N272 VanDerWaalsContact C-N 3.28Å; D270-N272 PolarHBondContact O-N 2.85Å; D270-N272 WeakPolarHBondContact OD1-CB 3.22Å; D270-N272 PolarHBondContact OD1-N 2.95Å; D270-N272 PolarHBondContact OD1-ND2 3.23Å; D270-V273 WeakPolarHBondContact O-CB 3.5Å; D270-V273 VanDerWaalsContact O-CG1 3.23Å; D270-V273 WeakPolarHBondContact O-CG1 3.49Å; D270-V273 PolarHBondContact O-N 3.06Å
271	S	94.6	Very high	96.9	Very high	49 Å²	49	44.9 Å²	44.9	34%	0.343	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.8	179.5	54	0	0	0	0	113.1	K269 V273 V274	K269-S271 PolarHBondContact O-N 2.9Å; S271-V273 PolarHBondContact O-N 3.09Å; S271-V273 VanDerWaalsContact O-N 3.08Å; S271-V274 PolarHBondContact O-N 3.25Å
272	N	95.8	Very high	96.6	Very high	74 Å²	74	48 Å²	48	40%	0.396	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.9	177.6	-60.1	-56	0	0	0	112.6	I246 D270 V274 E275 E276	I246-N272 HydrophobicContact CD1-CB 3.63Å; D270-N272 VanDerWaalsContact C-N 3.28Å; D270-N272 PolarHBondContact O-N 2.85Å; D270-N272 WeakPolarHBondContact OD1-CB 3.22Å; D270-N272 PolarHBondContact OD1-N 2.95Å; D270-N272 PolarHBondContact OD1-ND2 3.23Å; N272-V274 PolarHBondContact O-N 2.85Å; N272-V274 VanDerWaalsContact O-N 3.08Å; N272-E275 PolarHBondContact O-N 2.94Å; N272-E276 HydrophobicContact CB-CG 4.37Å; N272-E276 WeakPolarHBondContact O-CB 3.48Å; N272-E276 PolarHBondContact O-N 3.39Å
273	V	96.9	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-53.1	-30.3	173.5	72.1	0	0	0	0	112.3	I246 L249 I268 D270 S271 V277 F278 F294	I246-V273 HydrophobicContact CG1-CB 4.24Å; L249-V273 HydrophobicContact CD2-CG2 4.12Å; I268-V273 HydrophobicContact CG2-CB 4.36Å; I268-V273 HydrophobicContact CG2-CG1 4.27Å; I268-V273 HydrophobicContact CG2-CG2 4.34Å; D270-V273 WeakPolarHBondContact O-CB 3.5Å; D270-V273 VanDerWaalsContact O-CG1 3.23Å; D270-V273 WeakPolarHBondContact O-CG1 3.49Å; D270-V273 PolarHBondContact O-N 3.06Å; S271-V273 PolarHBondContact O-N 3.09Å; S271-V273 VanDerWaalsContact O-N 3.08Å; V273-V277 HydrophobicContact CG2-CB 4.13Å; V273-V277 HydrophobicContact CG2-CG2 4.09Å; V273-V277 WeakPolarHBondContact O-CA 3.28Å; V273-V277 VanDerWaalsContact O-CB 3.29Å; V273-V277 WeakPolarHBondContact O-CB 3.2Å; V273-V277 PolarHBondContact O-N 3.11Å; V273-F278 HydrophobicContact CB-CE2 4.45Å; V273-F278 HydrophobicContact CG1-CE2 3.77Å; V273-F278 HydrophobicContact CG1-CZ 4.16Å; V273-F278 HydrophobicContact CG2-CE1 4.07Å; V273-F278 HydrophobicContact CG2-CE2 4Å; V273-F278 HydrophobicContact CG2-CZ 3.64Å; V273-F278 PolarHBondContact O-N 2.95Å; V273-F294 HydrophobicContact CG1-CD1 4.09Å; V273-F294 HydrophobicContact CG1-CD2 3.74Å; V273-F294 HydrophobicContact CG1-CE1 4.14Å; V273-F294 HydrophobicContact CG1-CE2 3.78Å; V273-F294 HydrophobicContact CG1-CG 3.92Å; V273-F294 HydrophobicContact CG1-CZ 4Å
274	V	96.4	Very high	96.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-54.5	178.8	178	0	0	0	0	111.7	S271 N272 F278 A279 F294 V298 I305 Q308	S271-V274 PolarHBondContact O-N 3.25Å; N272-V274 PolarHBondContact O-N 2.85Å; N272-V274 VanDerWaalsContact O-N 3.08Å; V274-F278 HydrophobicContact CG2-CD2 4.3Å; V274-F278 PolarHBondContact O-N 2.91Å; V274-A279 WeakPolarHBondContact O-CB 3.35Å; V274-A279 PolarHBondContact O-N 2.91Å; V274-F294 HydrophobicContact CG2-CD2 4.4Å; V274-F294 HydrophobicContact CG2-CE2 3.99Å; V274-V298 HydrophobicContact CG2-CG2 4.21Å; V274-I305 HydrophobicContact CB-CD1 4.23Å; V274-I305 HydrophobicContact CG1-CD1 3.75Å; V274-I305 HydrophobicContact CG2-CD1 3.56Å; V274-Q308 HydrophobicContact CG1-CB 4.18Å; V274-Q308 HydrophobicContact CG1-CG 4.03Å
275	E	95.2	Very high	96.4	Very high	106 Å²	106	55.4 Å²	55.4	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-80.6	-36.2	-176.4	-63.2	-175.1	-172.3	0	0	112.2	N272	N272-E275 PolarHBondContact O-N 2.94Å
276	E	96.2	Very high	96.4	Very high	90 Å²	90	51.4 Å²	51.4	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-83.3	-28.5	-174.1	-68.7	-163.4	-158.4	0	0	113.7	I246 I253 N272 K280	I246-E276 HydrophobicContact CG2-CB 4.49Å; I253-E276 WeakPolarHBondContact CD1-O 3.29Å; N272-E276 HydrophobicContact CB-CG 4.37Å; N272-E276 WeakPolarHBondContact O-CB 3.48Å; N272-E276 PolarHBondContact O-N 3.39Å; E276-K280 VanDerWaalsContact O-CD 3.27Å; E276-K280 WeakPolarHBondContact O-CD 3.41Å; E276-K280 WeakPolarHBondContact O-CE 3.44Å; E276-K280 PolarHBondContact O-NZ 2.87Å
277	V	96.8	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-68.8	-178.3	-174	0	0	0	0	110.8	I246 L249 L252 I253 V273 A279 K280 I281	I246-V277 HydrophobicContact CG2-CG2 3.76Å; L249-V277 HydrophobicContact CB-CG1 4.02Å; L249-V277 HydrophobicContact CB-CG2 4.29Å; L252-V277 HydrophobicContact CD1-CG1 4.46Å; I253-V277 HydrophobicContact CG1-CG1 4.41Å; V273-V277 HydrophobicContact CG2-CB 4.13Å; V273-V277 HydrophobicContact CG2-CG2 4.09Å; V273-V277 WeakPolarHBondContact O-CA 3.28Å; V273-V277 VanDerWaalsContact O-CB 3.29Å; V273-V277 WeakPolarHBondContact O-CB 3.2Å; V273-V277 PolarHBondContact O-N 3.11Å; V277-A279 PolarHBondContact O-N 2.94Å; V277-K280 PolarHBondContact O-N 3.41Å; V277-I281 HydrophobicContact CG1-CD1 4.33Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 3Å
278	F	97.3	Very high	96.5	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-62	-42.4	-168	-54.9	-34.7	0	0	0	112.9	L249 L261 I263 V273 V274 K280 I281 L284 L287 F294 I305	L249-F278 HydrophobicContact CD2-CE1 4Å; L249-F278 HydrophobicContact CD2-CZ 4.31Å; L261-F278 HydrophobicContact CD2-CE1 4.32Å; I263-F278 HydrophobicContact CD1-CE1 3.76Å; I263-F278 HydrophobicContact CD1-CZ 3.48Å; I263-F278 VanDerWaalsContact CD1-CZ 3.48Å; V273-F278 HydrophobicContact CB-CE2 4.45Å; V273-F278 HydrophobicContact CG1-CE2 3.77Å; V273-F278 HydrophobicContact CG1-CZ 4.16Å; V273-F278 HydrophobicContact CG2-CE1 4.07Å; V273-F278 HydrophobicContact CG2-CE2 4Å; V273-F278 HydrophobicContact CG2-CZ 3.64Å; V273-F278 PolarHBondContact O-N 2.95Å; V274-F278 HydrophobicContact CG2-CD2 4.3Å; V274-F278 PolarHBondContact O-N 2.91Å; F278-K280 PolarHBondContact O-N 3.44Å; F278-I281 HydrophobicContact CD1-CD1 4.3Å; F278-I281 PolarHBondContact O-N 2.84Å; F278-L284 HydrophobicContact CB-CD2 4.29Å; F278-L287 HydrophobicContact CB-CD2 4.48Å; F278-L287 HydrophobicContact CD1-CD1 4.46Å; F278-L287 HydrophobicContact CD2-CD2 4.08Å; F278-L287 HydrophobicContact CE1-CD1 4.44Å; F278-L287 HydrophobicContact CE2-CD2 4.49Å; F278-L287 HydrophobicContact CG-CD2 4.12Å; F278-F294 HydrophobicContact CE2-CE2 4.23Å; F278-F294 AromaticContact CE2-CZ 3.78Å; F278-F294 HydrophobicContact CE2-CZ 3.78Å; F278-F294 HydrophobicContact CZ-CZ 4.32Å; F278-I305 HydrophobicContact CD2-CD1 4.04Å
279	A	95.7	Very high	96.5	Very high	37 Å²	37	50 Å²	50	31%	0.306	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.4	-24.1	176.5	0	0	0	0	0	113.4	V274 V277 Q308	V274-A279 WeakPolarHBondContact O-CB 3.35Å; V274-A279 PolarHBondContact O-N 2.91Å; V277-A279 PolarHBondContact O-N 2.94Å; A279-Q308 HydrophobicContact CB-CB 4.09Å
280	K	96.7	Very high	96.5	Very high	115 Å²	115	44.9 Å²	44.9	50%	0.5	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-94.8	-7.4	-178.5	-60	-171.9	-165	153	0	113.5	I253 E276 V277 F278 P282	I253-K280 HydrophobicContact CD1-CB 4.2Å; I253-K280 HydrophobicContact CD1-CD 4.32Å; I253-K280 HydrophobicContact CG1-CB 4.17Å; I253-K280 HydrophobicContact CG2-CB 4.09Å; E276-K280 VanDerWaalsContact O-CD 3.27Å; E276-K280 WeakPolarHBondContact O-CD 3.41Å; E276-K280 WeakPolarHBondContact O-CE 3.44Å; E276-K280 PolarHBondContact O-NZ 2.87Å; V277-K280 PolarHBondContact O-N 3.41Å; F278-K280 PolarHBondContact O-N 3.44Å; K280-P282 WeakPolarHBondContact O-CD 3.16Å
281	I	96.1	Very high	96.5	Very high	9 Å²	9	44 Å²	44	5%	0.046	23%	0.233	C	C	.	.			trans	-75.3	114.2	173.9	-59.3	170.6	0	0	0	108.2	L252 L261 V277 F278 N283 L284	L252-I281 HydrophobicContact CB-CD1 3.99Å; L252-I281 HydrophobicContact CB-CG1 4.36Å; L252-I281 HydrophobicContact CD1-CD1 4.43Å; L261-I281 HydrophobicContact CD2-CD1 4.17Å; V277-I281 HydrophobicContact CG1-CD1 4.33Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 3Å; F278-I281 HydrophobicContact CD1-CD1 4.3Å; F278-I281 PolarHBondContact O-N 2.84Å; I281-N283 PolarHBondContact O-N 3.35Å; I281-L284 HydrophobicContact CB-CB 4.03Å; I281-L284 HydrophobicContact CD1-CD2 4.36Å; I281-L284 HydrophobicContact CG2-CB 3.84Å
282	P	92.4	Very high	96.7	Very high	64 Å²	64	41.9 Å²	41.9	42%	0.416	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-35.2	-164.2	24.8	-34.6	0	0	0	114	K280 N311	K280-P282 WeakPolarHBondContact O-CD 3.16Å; P282-N311 PolarHBondContact O-ND2 3.12Å
283	N	95.5	Very high	96.8	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	20.2	-172	-74.1	-57	0	0	0	113.2	S256 L258 S259 I281 R285	S256-N283 PolarHBondContact O-ND2 3.13Å; L258-N283 CarbonylContact O-C 3.49Å; L258-N283 VanDerWaalsContact O-C 3.28Å; S259-N283 VanDerWaalsContact CA-O 3.32Å; S259-N283 WeakPolarHBondContact CA-O 3.47Å; I281-N283 PolarHBondContact O-N 3.35Å; N283-R285 WeakPolarHBondContact O-CG 3.46Å; N283-R285 PolarHBondContact O-N 3.49Å
284	L	97.9	Very high	96.7	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.214	C	C	.	.			trans	-63.1	121.8	179.8	-170.8	63.8	0	0	0	111.2	L261 F278 I281 L287 N311 L312	L261-L284 HydrophobicContact CB-CD1 3.95Å; F278-L284 HydrophobicContact CB-CD2 4.29Å; I281-L284 HydrophobicContact CB-CB 4.03Å; I281-L284 HydrophobicContact CD1-CD2 4.36Å; I281-L284 HydrophobicContact CG2-CB 3.84Å; L284-L287 HydrophobicContact CD1-CD1 4.48Å; L284-L287 HydrophobicContact CD2-CB 4.4Å; L284-L287 HydrophobicContact CD2-CD1 4.38Å; L284-L287 HydrophobicContact CD2-CD2 4.13Å; L284-N311 CarbonylContact O-C 3.41Å; L284-L312 HydrophobicContact CD2-CD1 4.44Å; L284-L312 HydrophobicContact CG-CD1 4.13Å
285	R	98	Very high	96.7	Very high	119 Å²	119	42.4 Å²	42.4	45%	0.449	22%	0.223	S	C	.	.			trans	-119.7	-37.1	-178.6	-56.4	-56.9	-75	-100.7	-7.1	112.6	S259 N283 N311 L312 T313 Y314	S259-R285 PolarHBondContact O-N 2.97Å; N283-R285 WeakPolarHBondContact O-CG 3.46Å; N283-R285 PolarHBondContact O-N 3.49Å; R285-N311 VanDerWaalsContact CD-O 3.28Å; R285-N311 WeakPolarHBondContact CD-O 3.46Å; R285-N311 PolarHBondContact NE-O 3.15Å; R285-L312 WeakPolarHBondContact O-CD1 3.49Å; R285-T313 WeakPolarHBondContact O-CA 3.49Å; R285-T313 PolarHBondContact O-N 3.14Å; R285-T313 PolarHBondContact O-OG1 3.2Å; R285-Y314 PolarHBondContact O-N 3.24Å; R285-Y314 VanDerWaalsContact O-N 3.09Å
286	V	98.6	Very high	96.7	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.6	-177.5	-178.9	0	0	0	0	107.9	S259 V260 L261 Y288 Y314	S259-V286 PolarHBondContact O-N 3.25Å; V260-V286 HydrophobicContact CB-CB 4.37Å; V260-V286 HydrophobicContact CG1-CB 4.13Å; V260-V286 HydrophobicContact CG1-CG1 4.17Å; V260-V286 HydrophobicContact CG2-CB 4.13Å; V260-V286 HydrophobicContact CG2-CG2 4.24Å; L261-V286 PolarHBondContact N-O 3.49Å; V286-Y288 HydrophobicContact CG1-CD2 3.98Å; V286-Y288 HydrophobicContact CG1-CE2 3.25Å; V286-Y314 WeakPolarHBondContact CA-O 3.44Å; V286-Y314 HydrophobicContact CG1-CD1 4.21Å
287	L	98.6	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.8	-178.9	-176.6	62.7	0	0	0	110	L261 F278 L284 N289 I305 L312 Y314 L315 D316	L261-L287 HydrophobicContact CB-CD1 4.06Å; L261-L287 HydrophobicContact CD2-CD1 3.82Å; L261-L287 HydrophobicContact CG-CD1 4.07Å; L261-L287 WeakPolarHBondContact O-CA 3.16Å; F278-L287 HydrophobicContact CB-CD2 4.48Å; F278-L287 HydrophobicContact CD1-CD1 4.46Å; F278-L287 HydrophobicContact CD2-CD2 4.08Å; F278-L287 HydrophobicContact CE1-CD1 4.44Å; F278-L287 HydrophobicContact CE2-CD2 4.49Å; F278-L287 HydrophobicContact CG-CD2 4.12Å; L284-L287 HydrophobicContact CD1-CD1 4.48Å; L284-L287 HydrophobicContact CD2-CB 4.4Å; L284-L287 HydrophobicContact CD2-CD1 4.38Å; L284-L287 HydrophobicContact CD2-CD2 4.13Å; L287-N289 WeakPolarHBondContact CD1-OD1 3.3Å; L287-N289 WeakPolarHBondContact CD2-ND2 3.34Å; L287-N289 WeakPolarHBondContact CG-ND2 3.2Å; L287-I305 HydrophobicContact CD2-CG2 4.08Å; L287-L312 HydrophobicContact CB-CD1 3.78Å; L287-Y314 PolarHBondContact N-O 2.85Å; L287-Y314 VanDerWaalsContact N-O 3.08Å; L287-L315 HydrophobicContact CB-CD1 4.22Å; L287-L315 HydrophobicContact CD2-CD1 4.28Å; L287-L315 HydrophobicContact CG-CD1 4.35Å; L287-L315 WeakPolarHBondContact O-CA 3.43Å; L287-D316 PolarHBondContact O-N 3Å
288	Y	98.6	Very high	96.5	Very high	64 Å²	64	51.1 Å²	51.1	25%	0.251	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.6	171.5	-54.5	-87.9	0	0	0	109.7	L261 D262 I263 Q264 V286 Y314 D316	L261-Y288 PolarHBondContact O-N 3.31Å; D262-Y288 HydrophobicContact CB-CD2 3.93Å; D262-Y288 HydrophobicContact CB-CG 4.47Å; I263-Y288 WeakPolarHBondContact CG1-O 3.46Å; I263-Y288 PolarHBondContact N-O 3.34Å; Q264-Y288 PolarHBondContact N-O 3.16Å; V286-Y288 HydrophobicContact CG1-CD2 3.98Å; V286-Y288 HydrophobicContact CG1-CE2 3.25Å; Y288-Y314 AromaticContact CE1-CD1 3.93Å; Y288-Y314 HydrophobicContact CE1-CD1 3.93Å; Y288-Y314 AromaticContact CE1-CE1 3.58Å; Y288-Y314 HydrophobicContact CE1-CE1 3.58Å; Y288-Y314 AromaticContact CZ-CD1 3.96Å; Y288-Y314 AromaticContact CZ-CE1 3.88Å; Y288-D316 WeakPolarHBondContact CA-OD1 3.47Å; Y288-D316 WeakPolarHBondContact CD1-O 3.15Å; Y288-D316 WeakPolarHBondContact CE1-O 3.29Å
289	N	97.3	Very high	96.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.			trans	-121.7	-9.7	-175.3	-66.8	-32.8	0	0	0	113.7	I263 L287 N292 F294 I295 Y301 D316	I263-N289 WeakPolarHBondContact CD1-OD1 3.17Å; I263-N289 WeakPolarHBondContact CG1-OD1 3.21Å; L287-N289 WeakPolarHBondContact CD1-OD1 3.3Å; L287-N289 WeakPolarHBondContact CD2-ND2 3.34Å; L287-N289 WeakPolarHBondContact CG-ND2 3.2Å; N289-N292 WeakPolarHBondContact O-CB 3.16Å; N289-N292 PolarHBondContact O-N 3.44Å; N289-N292 PolarHBondContact O-ND2 3.2Å; N289-F294 HydrophobicContact CB-CE1 4.45Å; N289-F294 HydrophobicContact CB-CZ 4.04Å; N289-I295 VanDerWaalsContact C-CD1 3.42Å; N289-I295 HydrophobicContact CB-CD1 3.9Å; N289-I295 HydrophobicContact CB-CG1 4.44Å; N289-I295 WeakPolarHBondContact O-CD1 3.02Å; N289-Y301 VanDerWaalsContact CB-OH 3.3Å; N289-Y301 WeakPolarHBondContact CB-OH 3.02Å; N289-Y301 PolarHBondContact ND2-OH 3.21Å; N289-D316 PolarHBondContact N-OD1 2.83Å
290	Q	96.2	Very high	96.3	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.192	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41	143	-176.1	-59.5	-175	27.8	0	0	114	Q264 Y265 N292 D316 D317	Q264-Q290 CarbonylContact C-O 3.58Å; Q264-Q290 WeakPolarHBondContact CA-O 3.38Å; Q264-Q290 WeakPolarHBondContact CB-O 3.39Å; Q264-Q290 HydrophobicContact CG-CB 4.07Å; Y265-Q290 PolarHBondContact N-O 3.04Å; Q290-N292 VanDerWaalsContact C-N 3.27Å; Q290-N292 PolarHBondContact O-N 3.22Å; Q290-D316 HydrophobicContact CG-CB 3.91Å; Q290-D316 WeakPolarHBondContact CG-OD1 3.06Å; Q290-D316 PolarHBondContact N-OD1 3.19Å; Q290-D317 PolarHBondContact NE2-OD1 3.24Å; Q290-D317 PolarHBondContact NE2-OD2 3.29Å
291	G	96	Very high	96.3	Very high	46 Å²	46	57.6 Å²	57.6	47%	0.474	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-3.3	178	0	0	0	0	0	115.3
292	N	98	Very high	96.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	29%	0.288	C	S	.	.			trans	-82	135.5	169.2	-75	-76.8	0	0	0	111.7	I263 N266 I268 N289 Q290 F294 I295	I263-N292 PolarHBondContact O-ND2 3.14Å; N266-N292 WeakPolarHBondContact CA-OD1 3.35Å; N266-N292 WeakPolarHBondContact CB-OD1 3.42Å; N266-N292 PolarHBondContact N-OD1 2.99Å; N266-N292 PolarHBondContact O-OD1 3.27Å; I268-N292 HydrophobicContact CB-CB 4.33Å; I268-N292 WeakPolarHBondContact CB-OD1 3.39Å; I268-N292 WeakPolarHBondContact CG1-OD1 3.38Å; I268-N292 PolarHBondContact N-OD1 2.93Å; N289-N292 WeakPolarHBondContact O-CB 3.16Å; N289-N292 PolarHBondContact O-N 3.44Å; N289-N292 PolarHBondContact O-ND2 3.2Å; Q290-N292 VanDerWaalsContact C-N 3.27Å; Q290-N292 PolarHBondContact O-N 3.22Å; N292-F294 VanDerWaalsContact C-N 3.32Å; N292-F294 HydrophobicContact CB-CD1 3.57Å; N292-F294 HydrophobicContact CB-CE1 3.52Å; N292-F294 PolarHBondContact O-N 2.93Å; N292-I295 HydrophobicContact CB-CD1 4.45Å; N292-I295 WeakPolarHBondContact O-CB 3.32Å; N292-I295 PolarHBondContact O-N 2.79Å
293	P	97.5	Very high	96.4	Very high	49 Å²	49	59.7 Å²	59.7	32%	0.318	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.7	-179.6	-29.1	33.7	0	0	0	115.6	I268 K269 I295 R296	I268-P293 VanDerWaalsContact O-CD 3.23Å; I268-P293 WeakPolarHBondContact O-CD 3.27Å; K269-P293 HydrophobicContact CG-CB 4.12Å; K269-P293 HydrophobicContact CG-CG 4.23Å; P293-I295 PolarHBondContact O-N 3.47Å; P293-R296 PolarHBondContact O-N 3.06Å; P293-R296 VanDerWaalsContact O-N 3.13Å
294	F	96.4	Very high	96.5	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-23.7	-176.6	82.6	-90.5	0	0	0	113.4	I268 K269 V273 V274 F278 N289 N292 R296 E297 V298 Y301	I268-F294 HydrophobicContact CB-CD1 3.92Å; I268-F294 HydrophobicContact CB-CE1 4.38Å; I268-F294 HydrophobicContact CG2-CD1 3.75Å; I268-F294 HydrophobicContact CG2-CE1 4.3Å; I268-F294 HydrophobicContact CG2-CG 4.48Å; I268-F294 PolarHBondContact O-N 3.21Å; K269-F294 WeakPolarHBondContact O-CB 3.38Å; V273-F294 HydrophobicContact CG1-CD1 4.09Å; V273-F294 HydrophobicContact CG1-CD2 3.74Å; V273-F294 HydrophobicContact CG1-CE1 4.14Å; V273-F294 HydrophobicContact CG1-CE2 3.78Å; V273-F294 HydrophobicContact CG1-CG 3.92Å; V273-F294 HydrophobicContact CG1-CZ 4Å; V274-F294 HydrophobicContact CG2-CD2 4.4Å; V274-F294 HydrophobicContact CG2-CE2 3.99Å; F278-F294 HydrophobicContact CE2-CE2 4.23Å; F278-F294 AromaticContact CE2-CZ 3.78Å; F278-F294 HydrophobicContact CE2-CZ 3.78Å; F278-F294 HydrophobicContact CZ-CZ 4.32Å; N289-F294 HydrophobicContact CB-CE1 4.45Å; N289-F294 HydrophobicContact CB-CZ 4.04Å; N292-F294 VanDerWaalsContact C-N 3.32Å; N292-F294 HydrophobicContact CB-CD1 3.57Å; N292-F294 HydrophobicContact CB-CE1 3.52Å; N292-F294 PolarHBondContact O-N 2.93Å; F294-R296 PolarHBondContact O-N 3.12Å; F294-E297 PolarHBondContact O-N 3.34Å; F294-E297 VanDerWaalsContact O-N 3.09Å; F294-V298 HydrophobicContact CD2-CG2 3.85Å; F294-V298 HydrophobicContact CE2-CG2 4.47Å; F294-V298 WeakPolarHBondContact O-CG2 3.39Å; F294-V298 PolarHBondContact O-N 3.32Å; F294-V298 VanDerWaalsContact O-N 3.07Å; F294-Y301 HydrophobicContact CE2-CD2 4.43Å; F294-Y301 AromaticContact CE2-CE2 3.97Å; F294-Y301 HydrophobicContact CE2-CE2 3.97Å; F294-Y301 HydrophobicContact CZ-CE2 4.35Å
295	I	96	Very high	96.5	Very high	39 Å²	39	56.8 Å²	56.8	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-36	179.4	-67.6	171.7	0	0	0	111.3	N289 N292 P293 Y301	N289-I295 VanDerWaalsContact C-CD1 3.42Å; N289-I295 HydrophobicContact CB-CD1 3.9Å; N289-I295 HydrophobicContact CB-CG1 4.44Å; N289-I295 WeakPolarHBondContact O-CD1 3.02Å; N292-I295 HydrophobicContact CB-CD1 4.45Å; N292-I295 WeakPolarHBondContact O-CB 3.32Å; N292-I295 PolarHBondContact O-N 2.79Å; P293-I295 PolarHBondContact O-N 3.47Å; I295-Y301 HydrophobicContact CB-CD2 4.45Å; I295-Y301 HydrophobicContact CG1-CD2 4.23Å; I295-Y301 HydrophobicContact CG1-CE2 3.85Å; I295-Y301 HydrophobicContact CG2-CD1 4.04Å; I295-Y301 HydrophobicContact CG2-CD2 4.18Å; I295-Y301 HydrophobicContact CG2-CE1 4.32Å; I295-Y301 HydrophobicContact CG2-CE2 4.45Å; I295-Y301 HydrophobicContact CG2-CG 3.97Å
296	R	95	Very high	96.5	Very high	229 Å²	229	51.3 Å²	51.3	86%	0.864	24%	0.244	S	C	*	.	H	α-helix	trans	-74.1	-29.5	180	-62.1	-176.9	178.9	-160.2	-2.2	112.7	P293 F294	P293-R296 PolarHBondContact O-N 3.06Å; P293-R296 VanDerWaalsContact O-N 3.13Å; F294-R296 PolarHBondContact O-N 3.12Å
297	E	94	Very high	96.4	Very high	138 Å²	138	51.9 Å²	51.9	65%	0.645	25%	0.246	S	C	*	.	H	α-helix	trans	-81.6	-28	-178.7	-59.4	-59.9	154.5	0	0	112.1	F294 K299	F294-E297 PolarHBondContact O-N 3.34Å; F294-E297 VanDerWaalsContact O-N 3.09Å; E297-K299 PolarHBondContact O-N 3.29Å; E297-K299 VanDerWaalsContact O-N 3.15Å
298	V	94.7	Very high	96.3	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.073	26%	0.258	C	S	.	.	S	Bend	trans	-77	103.9	179	-179.2	0	0	0	0	109.9	V274 F294 N300 Y301 N304	V274-V298 HydrophobicContact CG2-CG2 4.21Å; F294-V298 HydrophobicContact CD2-CG2 3.85Å; F294-V298 HydrophobicContact CE2-CG2 4.47Å; F294-V298 WeakPolarHBondContact O-CG2 3.39Å; F294-V298 PolarHBondContact O-N 3.32Å; F294-V298 VanDerWaalsContact O-N 3.07Å; V298-N300 PolarHBondContact O-N 3.23Å; V298-Y301 HydrophobicContact CB-CD2 4.3Å; V298-Y301 HydrophobicContact CG1-CD2 4.41Å; V298-Y301 PolarHBondContact O-N 3.24Å; V298-Y301 VanDerWaalsContact O-N 3.13Å; V298-N304 HydrophobicContact CG1-CB 3.91Å; V298-N304 WeakPolarHBondContact CG1-ND2 3.49Å
299	K	94.1	Very high	96.2	Very high	177 Å²	177	51.9 Å²	51.9	77%	0.77	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133.2	169.9	-63.1	-169.7	178.2	-165.4	0	110.9	E297 Y301	E297-K299 PolarHBondContact O-N 3.29Å; E297-K299 VanDerWaalsContact O-N 3.15Å; K299-Y301 PolarHBondContact O-N 3.41Å
300	N	94.3	Very high	96	Very high	80 Å²	80	59.5 Å²	59.5	43%	0.428	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.1	-177	-67	-62.5	0	0	0	112.8	V298 R302 K303 N304 F331	V298-N300 PolarHBondContact O-N 3.23Å; N300-R302 VanDerWaalsContact C-N 3.29Å; N300-R302 PolarHBondContact O-N 3.36Å; N300-K303 HydrophobicContact CB-CB 4.24Å; N300-K303 HydrophobicContact CB-CD 4.4Å; N300-K303 PolarHBondContact O-N 3.06Å; N300-N304 PolarHBondContact O-N 3.33Å; N300-F331 HydrophobicContact CB-CE1 4.44Å; N300-F331 VanDerWaalsContact ND2-CZ 3.32Å; N300-F331 WeakPolarHBondContact ND2-CZ 3.31Å
301	Y	96	Very high	96	Very high	31 Å²	31	61.9 Å²	61.9	12%	0.122	30%	0.296	C	S	.	.	H	α-helix	trans	-35.6	-54.6	-174.8	165.8	-101.7	0	0	0	114.2	N289 F294 I295 V298 K299 N304 I305 L315 D316	N289-Y301 VanDerWaalsContact CB-OH 3.3Å; N289-Y301 WeakPolarHBondContact CB-OH 3.02Å; N289-Y301 PolarHBondContact ND2-OH 3.21Å; F294-Y301 HydrophobicContact CE2-CD2 4.43Å; F294-Y301 AromaticContact CE2-CE2 3.97Å; F294-Y301 HydrophobicContact CE2-CE2 3.97Å; F294-Y301 HydrophobicContact CZ-CE2 4.35Å; I295-Y301 HydrophobicContact CB-CD2 4.45Å; I295-Y301 HydrophobicContact CG1-CD2 4.23Å; I295-Y301 HydrophobicContact CG1-CE2 3.85Å; I295-Y301 HydrophobicContact CG2-CD1 4.04Å; I295-Y301 HydrophobicContact CG2-CD2 4.18Å; I295-Y301 HydrophobicContact CG2-CE1 4.32Å; I295-Y301 HydrophobicContact CG2-CE2 4.45Å; I295-Y301 HydrophobicContact CG2-CG 3.97Å; V298-Y301 HydrophobicContact CB-CD2 4.3Å; V298-Y301 HydrophobicContact CG1-CD2 4.41Å; V298-Y301 PolarHBondContact O-N 3.24Å; V298-Y301 VanDerWaalsContact O-N 3.13Å; K299-Y301 PolarHBondContact O-N 3.41Å; Y301-N304 WeakPolarHBondContact O-CB 3.21Å; Y301-N304 PolarHBondContact O-N 3.04Å; Y301-I305 HydrophobicContact CD2-CD1 4.36Å; Y301-I305 HydrophobicContact CD2-CG1 3.84Å; Y301-I305 HydrophobicContact CE2-CD1 3.79Å; Y301-I305 HydrophobicContact CE2-CG1 3.48Å; Y301-I305 VanDerWaalsContact CE2-CG1 3.48Å; Y301-I305 VanDerWaalsContact O-CG1 3.23Å; Y301-I305 WeakPolarHBondContact O-CG1 3.19Å; Y301-I305 PolarHBondContact O-N 3.22Å; Y301-L315 HydrophobicContact CE1-CD2 4.44Å; Y301-D316 WeakPolarHBondContact CE1-OD2 3.45Å; Y301-D316 PolarHBondContact OH-OD2 2.96Å
302	R	96.4	Very high	96.1	Very high	62 Å²	62	59.9 Å²	59.9	23%	0.234	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-48.2	-178.6	178.5	167.6	174.7	89.8	2.1	112.5	N300 N304 I306 L315 R318 P319 D324	N300-R302 VanDerWaalsContact C-N 3.29Å; N300-R302 PolarHBondContact O-N 3.36Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 3.22Å; R302-I306 HydrophobicContact CG-CD1 3.69Å; R302-I306 WeakPolarHBondContact O-CB 3.23Å; R302-I306 WeakPolarHBondContact O-CD1 3.23Å; R302-I306 WeakPolarHBondContact O-CG1 3.44Å; R302-I306 PolarHBondContact O-N 3.33Å; R302-I306 VanDerWaalsContact O-N 3.07Å; R302-L315 HydrophobicContact CB-CD2 4.47Å; R302-L315 HydrophobicContact CG-CD2 4.11Å; R302-R318 PolarHBondContact NH1-O 2.92Å; R302-P319 PolarHBondContact NH2-O 3.21Å; R302-D324 IonicContact NH2-OD2 3.94Å; R302-D324 PolarHBondContact NH2-OD2 3.13Å
303	K	95.8	Very high	96.1	Very high	55 Å²	55	62.4 Å²	62.4	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-41.3	177.3	-61.9	179.1	-173.4	173.3	0	110.5	N300 I306 N307 A328 F331 Y332 E339	N300-K303 HydrophobicContact CB-CB 4.24Å; N300-K303 HydrophobicContact CB-CD 4.4Å; N300-K303 PolarHBondContact O-N 3.06Å; K303-I306 PolarHBondContact O-N 3.49Å; K303-N307 VanDerWaalsContact O-CB 3.29Å; K303-N307 WeakPolarHBondContact O-CB 3.39Å; K303-N307 PolarHBondContact O-N 3.09Å; K303-A328 HydrophobicContact CB-CB 4.24Å; K303-F331 HydrophobicContact CD-CB 4.47Å; K303-F331 HydrophobicContact CD-CD1 4.29Å; K303-F331 HydrophobicContact CD-CD2 4.42Å; K303-F331 HydrophobicContact CD-CG 4.13Å; K303-Y332 HydrophobicContact CB-CE2 4.21Å; K303-E339 WeakPolarHBondContact CE-OE1 3.22Å; K303-E339 WeakPolarHBondContact CE-OE2 3.27Å; K303-E339 IonicContact NZ-OE1 3.4Å; K303-E339 PolarHBondContact NZ-OE1 3.17Å; K303-E339 IonicContact NZ-OE2 2.96Å; K303-E339 PolarHBondContact NZ-OE2 3.49Å
304	N	96.8	Very high	96.1	Very high	23 Å²	23	63.4 Å²	63.4	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-56.6	178.8	-164.7	-34.1	0	0	0	111.3	V298 N300 Y301 R302 I306 N307 Q308 Y332	V298-N304 HydrophobicContact CG1-CB 3.91Å; V298-N304 WeakPolarHBondContact CG1-ND2 3.49Å; N300-N304 PolarHBondContact O-N 3.33Å; Y301-N304 WeakPolarHBondContact O-CB 3.21Å; Y301-N304 PolarHBondContact O-N 3.04Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 3.22Å; N304-I306 VanDerWaalsContact C-N 3.31Å; N304-I306 PolarHBondContact O-N 3.26Å; N304-N307 PolarHBondContact O-N 2.8Å; N304-Q308 WeakPolarHBondContact O-CB 3.5Å; N304-Q308 VanDerWaalsContact O-CG 3.26Å; N304-Q308 WeakPolarHBondContact O-CG 3.46Å; N304-Q308 PolarHBondContact O-N 2.75Å; N304-Q308 VanDerWaalsContact OD1-CG 3.31Å; N304-Q308 WeakPolarHBondContact OD1-CG 3.39Å; N304-Y332 WeakPolarHBondContact CA-OH 3.23Å; N304-Y332 HydrophobicContact CB-CE2 4.5Å; N304-Y332 WeakPolarHBondContact CB-OH 3.23Å; N304-Y332 VanDerWaalsContact CG-OH 3.28Å; N304-Y332 PolarHBondContact ND2-OH 3.46Å
305	I	97.6	Very high	96.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43.4	-179.8	-62.3	-76.8	0	0	0	110.9	V274 F278 L287 Y301 Q308 C309 L312 L315	V274-I305 HydrophobicContact CB-CD1 4.23Å; V274-I305 HydrophobicContact CG1-CD1 3.75Å; V274-I305 HydrophobicContact CG2-CD1 3.56Å; F278-I305 HydrophobicContact CD2-CD1 4.04Å; L287-I305 HydrophobicContact CD2-CG2 4.08Å; Y301-I305 HydrophobicContact CD2-CD1 4.36Å; Y301-I305 HydrophobicContact CD2-CG1 3.84Å; Y301-I305 HydrophobicContact CE2-CD1 3.79Å; Y301-I305 HydrophobicContact CE2-CG1 3.48Å; Y301-I305 VanDerWaalsContact CE2-CG1 3.48Å; Y301-I305 VanDerWaalsContact O-CG1 3.23Å; Y301-I305 WeakPolarHBondContact O-CG1 3.19Å; Y301-I305 PolarHBondContact O-N 3.22Å; I305-Q308 PolarHBondContact O-N 3.08Å; I305-C309 WeakPolarHBondContact O-CA 3.26Å; I305-C309 WeakPolarHBondContact O-CB 3.31Å; I305-C309 PolarHBondContact O-N 2.95Å; I305-L312 HydrophobicContact CG2-CD2 3.65Å; I305-L315 HydrophobicContact CB-CD2 3.82Å; I305-L315 HydrophobicContact CG1-CD2 4.44Å; I305-L315 HydrophobicContact CG2-CD1 3.8Å; I305-L315 HydrophobicContact CG2-CD2 3.73Å; I305-L315 HydrophobicContact CG2-CG 4.4Å
306	I	97.5	Very high	96.2	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-42.8	179.8	-70.3	168.4	0	0	0	111.7	R302 K303 N304 L315 V320 D324 R325 A328	R302-I306 HydrophobicContact CG-CD1 3.69Å; R302-I306 WeakPolarHBondContact O-CB 3.23Å; R302-I306 WeakPolarHBondContact O-CD1 3.23Å; R302-I306 WeakPolarHBondContact O-CG1 3.44Å; R302-I306 PolarHBondContact O-N 3.33Å; R302-I306 VanDerWaalsContact O-N 3.07Å; K303-I306 PolarHBondContact O-N 3.49Å; N304-I306 VanDerWaalsContact C-N 3.31Å; N304-I306 PolarHBondContact O-N 3.26Å; I306-L315 HydrophobicContact CG1-CD2 4.37Å; I306-V320 HydrophobicContact CD1-CG1 3.99Å; I306-V320 HydrophobicContact CD1-CG2 4.07Å; I306-V320 HydrophobicContact CG1-CG1 3.9Å; I306-V320 HydrophobicContact CG1-CG2 3.86Å; I306-V320 HydrophobicContact CG2-CG1 3.86Å; I306-D324 HydrophobicContact CD1-CB 4.26Å; I306-R325 HydrophobicContact CG2-CB 4.21Å; I306-R325 PolarHBondContact O-NH1 3.33Å; I306-A328 HydrophobicContact CB-CB 4.19Å; I306-A328 HydrophobicContact CG2-CB 3.84Å
307	N	97.1	Very high	96.1	Very high	35 Å²	35	57.4 Å²	57.4	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-41.9	179.6	-178	57.7	0	0	0	111.9	K303 N304 A328 Y332	K303-N307 VanDerWaalsContact O-CB 3.29Å; K303-N307 WeakPolarHBondContact O-CB 3.39Å; K303-N307 PolarHBondContact O-N 3.09Å; N304-N307 PolarHBondContact O-N 2.8Å; N307-A328 HydrophobicContact CB-CB 4.4Å; N307-Y332 HydrophobicContact CB-CD2 3.48Å; N307-Y332 VanDerWaalsContact CB-CD2 3.48Å; N307-Y332 HydrophobicContact CB-CE2 3.82Å; N307-Y332 HydrophobicContact CB-CG 4.28Å; N307-Y332 VanDerWaalsContact CG-CD2 3.43Å; N307-Y332 WeakPolarHBondContact ND2-CB 3.35Å; N307-Y332 VanDerWaalsContact ND2-CD2 3.34Å; N307-Y332 WeakPolarHBondContact ND2-CD2 3.19Å; N307-Y332 VanDerWaalsContact ND2-CG 3.26Å
308	Q	96.6	Very high	96.2	Very high	57 Å²	57	54.8 Å²	54.8	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-74.4	-42.3	179.8	-63.3	-67.8	-3	0	0	111.9	V274 A279 N304 I305 K310	V274-Q308 HydrophobicContact CG1-CB 4.18Å; V274-Q308 HydrophobicContact CG1-CG 4.03Å; A279-Q308 HydrophobicContact CB-CB 4.09Å; N304-Q308 WeakPolarHBondContact O-CB 3.5Å; N304-Q308 VanDerWaalsContact O-CG 3.26Å; N304-Q308 WeakPolarHBondContact O-CG 3.46Å; N304-Q308 PolarHBondContact O-N 2.75Å; N304-Q308 VanDerWaalsContact OD1-CG 3.31Å; N304-Q308 WeakPolarHBondContact OD1-CG 3.39Å; I305-Q308 PolarHBondContact O-N 3.08Å; Q308-K310 PolarHBondContact O-N 2.71Å
309	C	96.2	Very high	96.4	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.054	27%	0.269	C	S	.	.			trans	-94.3	81.5	-179.1	-56.8	0	0	0	0	111.2	I305 N311 L312 R325	I305-C309 WeakPolarHBondContact O-CA 3.26Å; I305-C309 WeakPolarHBondContact O-CB 3.31Å; I305-C309 PolarHBondContact O-N 2.95Å; C309-N311 VanDerWaalsContact C-N 3.25Å; C309-N311 PolarHBondContact O-N 3.36Å; C309-N311 VanDerWaalsContact O-N 3.13Å; C309-L312 HydrophobicContact CB-CB 3.85Å; C309-L312 HydrophobicContact CB-CD2 4.28Å; C309-L312 VanDerWaalsContact O-CB 3.23Å; C309-L312 WeakPolarHBondContact O-CB 3.21Å; C309-L312 PolarHBondContact O-N 2.74Å; C309-R325 PolarHBondContact O-NH2 2.89Å
310	K	93.5	Very high	96.5	Very high	159 Å²	159	48.8 Å²	48.8	69%	0.691	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.2	-172.1	-62.3	-175.7	179.9	-178.1	0	115.6	Q308 R325	Q308-K310 PolarHBondContact O-N 2.71Å; K310-R325 PolarHBondContact O-NH1 2.79Å; K310-R325 PolarHBondContact O-NH2 3.27Å
311	N	95.7	Very high	96.7	Very high	92 Å²	92	49.8 Å²	49.8	49%	0.492	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.5	-179.1	-66.8	-35.5	0	0	0	113.7	P282 L284 R285 C309 T313	P282-N311 PolarHBondContact O-ND2 3.12Å; L284-N311 CarbonylContact O-C 3.41Å; R285-N311 VanDerWaalsContact CD-O 3.28Å; R285-N311 WeakPolarHBondContact CD-O 3.46Å; R285-N311 PolarHBondContact NE-O 3.15Å; C309-N311 VanDerWaalsContact C-N 3.25Å; C309-N311 PolarHBondContact O-N 3.36Å; C309-N311 VanDerWaalsContact O-N 3.13Å; N311-T313 PolarHBondContact O-N 3.07Å
312	L	98.1	Very high	96.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	26%	0.26	C	S	.	.			trans	-65.7	132.6	-176.1	-163.2	72.4	0	0	0	111.4	L284 R285 L287 I305 C309 L315 V320 R325	L284-L312 HydrophobicContact CD2-CD1 4.44Å; L284-L312 HydrophobicContact CG-CD1 4.13Å; R285-L312 WeakPolarHBondContact O-CD1 3.49Å; L287-L312 HydrophobicContact CB-CD1 3.78Å; I305-L312 HydrophobicContact CG2-CD2 3.65Å; C309-L312 HydrophobicContact CB-CB 3.85Å; C309-L312 HydrophobicContact CB-CD2 4.28Å; C309-L312 VanDerWaalsContact O-CB 3.23Å; C309-L312 WeakPolarHBondContact O-CB 3.21Å; C309-L312 PolarHBondContact O-N 2.74Å; L312-L315 HydrophobicContact CD2-CB 3.91Å; L312-L315 HydrophobicContact CD2-CD1 4.22Å; L312-L315 HydrophobicContact CD2-CD2 4.37Å; L312-L315 HydrophobicContact CD2-CG 4.4Å; L312-V320 HydrophobicContact CD2-CG2 4.27Å; L312-V320 HydrophobicContact CG-CG2 4.38Å; L312-R325 PolarHBondContact O-NH2 3.2Å
313	T	97.7	Very high	96.7	Very high	58 Å²	58	52.4 Å²	52.4	36%	0.356	26%	0.262	S	S	.	.			trans	-114.4	-21.5	-179.3	52.7	0	0	0	0	113.1	R285 N311 V320	R285-T313 WeakPolarHBondContact O-CA 3.49Å; R285-T313 PolarHBondContact O-N 3.14Å; R285-T313 PolarHBondContact O-OG1 3.2Å; N311-T313 PolarHBondContact O-N 3.07Å; T313-V320 PolarHBondContact O-N 2.95Å
314	Y	98.6	Very high	96.8	Very high	69 Å²	69	51.1 Å²	51.1	27%	0.271	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	130.5	-178.3	-161.3	-85.2	0	0	0	109.7	R285 V286 L287 Y288 D316 D317 P319	R285-Y314 PolarHBondContact O-N 3.24Å; R285-Y314 VanDerWaalsContact O-N 3.09Å; V286-Y314 WeakPolarHBondContact CA-O 3.44Å; V286-Y314 HydrophobicContact CG1-CD1 4.21Å; L287-Y314 PolarHBondContact N-O 2.85Å; L287-Y314 VanDerWaalsContact N-O 3.08Å; Y288-Y314 AromaticContact CE1-CD1 3.93Å; Y288-Y314 HydrophobicContact CE1-CD1 3.93Å; Y288-Y314 AromaticContact CE1-CE1 3.58Å; Y288-Y314 HydrophobicContact CE1-CE1 3.58Å; Y288-Y314 AromaticContact CZ-CD1 3.96Å; Y288-Y314 AromaticContact CZ-CE1 3.88Å; Y314-D316 WeakPolarHBondContact CE1-O 3.49Å; Y314-D317 PolarHBondContact OH-O 3.24Å; Y314-P319 HydrophobicContact CD2-CB 3.99Å; Y314-P319 HydrophobicContact CD2-CG 3.78Å; Y314-P319 HydrophobicContact CE2-CB 4.33Å; Y314-P319 HydrophobicContact CE2-CG 3.62Å
315	L	98.3	Very high	96.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.7	-178.6	178.7	59.6	0	0	0	109.3	L287 Y301 R302 I305 I306 L312 D317 R318 V320	L287-L315 HydrophobicContact CB-CD1 4.22Å; L287-L315 HydrophobicContact CD2-CD1 4.28Å; L287-L315 HydrophobicContact CG-CD1 4.35Å; L287-L315 WeakPolarHBondContact O-CA 3.43Å; Y301-L315 HydrophobicContact CE1-CD2 4.44Å; R302-L315 HydrophobicContact CB-CD2 4.47Å; R302-L315 HydrophobicContact CG-CD2 4.11Å; I305-L315 HydrophobicContact CB-CD2 3.82Å; I305-L315 HydrophobicContact CG1-CD2 4.44Å; I305-L315 HydrophobicContact CG2-CD1 3.8Å; I305-L315 HydrophobicContact CG2-CD2 3.73Å; I305-L315 HydrophobicContact CG2-CG 4.4Å; I306-L315 HydrophobicContact CG1-CD2 4.37Å; L312-L315 HydrophobicContact CD2-CB 3.91Å; L312-L315 HydrophobicContact CD2-CD1 4.22Å; L312-L315 HydrophobicContact CD2-CD2 4.37Å; L312-L315 HydrophobicContact CD2-CG 4.4Å; L315-D317 PolarHBondContact O-N 2.95Å; L315-D317 VanDerWaalsContact O-N 3.17Å; L315-R318 PolarHBondContact N-O 3.14Å; L315-R318 PolarHBondContact O-N 2.76Å; L315-R318 VanDerWaalsContact O-N 3.11Å; L315-V320 HydrophobicContact CB-CG2 4.05Å
316	D	96.8	Very high	96.8	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.091	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-114.2	177.8	-62.1	-51.8	0	0	0	111.8	L287 Y288 N289 Q290 Y301 Y314	L287-D316 PolarHBondContact O-N 3Å; Y288-D316 WeakPolarHBondContact CA-OD1 3.47Å; Y288-D316 WeakPolarHBondContact CD1-O 3.15Å; Y288-D316 WeakPolarHBondContact CE1-O 3.29Å; N289-D316 PolarHBondContact N-OD1 2.83Å; Q290-D316 HydrophobicContact CG-CB 3.91Å; Q290-D316 WeakPolarHBondContact CG-OD1 3.06Å; Q290-D316 PolarHBondContact N-OD1 3.19Å; Y301-D316 WeakPolarHBondContact CE1-OD2 3.45Å; Y301-D316 PolarHBondContact OH-OD2 2.96Å; Y314-D316 WeakPolarHBondContact CE1-O 3.49Å
317	D	92.6	Very high	96.8	Very high	124 Å²	124	53.3 Å²	53.3	66%	0.663	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.6	-176.7	-64.1	-45.1	0	0	0	114.6	Q290 Y314 L315	Q290-D317 PolarHBondContact NE2-OD1 3.24Å; Q290-D317 PolarHBondContact NE2-OD2 3.29Å; Y314-D317 PolarHBondContact OH-O 3.24Å; L315-D317 PolarHBondContact O-N 2.95Å; L315-D317 VanDerWaalsContact O-N 3.17Å
318	R	95.9	Very high	96.8	Very high	83 Å²	83	51.7 Å²	51.7	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.3	-168.6	-169.5	-178.6	169.6	-168.9	-3.6	113.1	R302 L315 D324 D567	R302-R318 PolarHBondContact NH1-O 2.92Å; L315-R318 PolarHBondContact N-O 3.14Å; L315-R318 PolarHBondContact O-N 2.76Å; L315-R318 VanDerWaalsContact O-N 3.11Å; R318-D324 IonicContact NH2-OD1 3.3Å; R318-D567 IonicContact NH1-OD1 2.92Å
319	P	98.1	Very high	96.9	Very high	47 Å²	47	53.3 Å²	53.3	31%	0.305	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	154	169.5	-21.1	29.6	0	0	0	112.5	R302 Y314 F321	R302-P319 PolarHBondContact NH2-O 3.21Å; Y314-P319 HydrophobicContact CD2-CB 3.99Å; Y314-P319 HydrophobicContact CD2-CG 3.78Å; Y314-P319 HydrophobicContact CE2-CB 4.33Å; Y314-P319 HydrophobicContact CE2-CG 3.62Å; P319-F321 HydrophobicContact CB-CE1 4.47Å; P319-F321 HydrophobicContact CB-CE2 4.17Å; P319-F321 HydrophobicContact CB-CZ 4.05Å; P319-F321 HydrophobicContact CG-CZ 4.25Å
320	V	98	Very high	97	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.097	27%	0.271	C	S	.	.			trans	-96.9	107.4	172.4	179.1	0	0	0	0	108.3	I306 L312 T313 L315 D324	I306-V320 HydrophobicContact CD1-CG1 3.99Å; I306-V320 HydrophobicContact CD1-CG2 4.07Å; I306-V320 HydrophobicContact CG1-CG1 3.9Å; I306-V320 HydrophobicContact CG1-CG2 3.86Å; I306-V320 HydrophobicContact CG2-CG1 3.86Å; L312-V320 HydrophobicContact CD2-CG2 4.27Å; L312-V320 HydrophobicContact CG-CG2 4.38Å; T313-V320 PolarHBondContact O-N 2.95Å; L315-V320 HydrophobicContact CB-CG2 4.05Å; V320-D324 HydrophobicContact CG1-CB 4.48Å
321	F	97.6	Very high	97.1	Very high	100 Å²	100	47.7 Å²	47.7	44%	0.439	25%	0.246	S	C	.	.			trans	-83.4	159.2	179	-65.7	-74.3	0	0	0	112.1	P319 M323 D324 R325	P319-F321 HydrophobicContact CB-CE1 4.47Å; P319-F321 HydrophobicContact CB-CE2 4.17Å; P319-F321 HydrophobicContact CB-CZ 4.05Å; P319-F321 HydrophobicContact CG-CZ 4.25Å; F321-M323 PolarHBondContact O-N 3.24Å; F321-D324 PolarHBondContact N-OD2 3.11Å; F321-D324 WeakPolarHBondContact O-CB 3.47Å; F321-D324 PolarHBondContact O-N 3.15Å; F321-D324 VanDerWaalsContact O-N 3.11Å; F321-R325 PolarHBondContact O-N 3.29Å; F321-R325 VanDerWaalsContact O-N 3.08Å
322	P	96.9	Very high	97.1	Very high	92 Å²	92	47.3 Å²	47.3	60%	0.597	24%	0.238	S	C	*	.	H	α-helix	trans	-55.3	-36.4	174.1	-27.7	35.9	0	0	0	113.7	R325 A326 W346	P322-R325 PolarHBondContact O-N 3.09Å; P322-A326 PolarHBondContact O-N 3.31Å; P322-W346 HydrophobicContact CB-CH2 4.06Å
323	M	96.3	Very high	97	Very high	56 Å²	56	50.7 Å²	50.7	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-47.9	174.4	-179.2	175.8	173.3	0	0	111.4	F321 R325 A326 C327 R343 W346 I347	F321-M323 PolarHBondContact O-N 3.24Å; M323-R325 VanDerWaalsContact C-N 3.26Å; M323-R325 PolarHBondContact O-N 3.4Å; M323-A326 PolarHBondContact O-N 3.08Å; M323-C327 WeakPolarHBondContact O-CB 3.38Å; M323-C327 PolarHBondContact O-N 3.08Å; M323-C327 PolarHBondContact O-SG 2.88Å; M323-R343 HydrophobicContact CE-CB 4.44Å; M323-R343 HydrophobicContact CE-CG 3.56Å; M323-W346 HydrophobicContact CB-CD2 4.01Å; M323-W346 HydrophobicContact CB-CE3 4.25Å; M323-W346 HydrophobicContact CB-CG 4.22Å; M323-W346 HydrophobicContact CE-CB 3.96Å; M323-W346 HydrophobicContact CG-CB 3.96Å; M323-W346 HydrophobicContact CG-CD2 4.11Å; M323-W346 HydrophobicContact CG-CG 3.77Å; M323-W346 HydrophobicContact SD-CB 3.77Å; M323-W346 HydrophobicContact SD-CG 4.22Å; M323-I347 HydrophobicContact CE-CG1 4.17Å
324	D	96.8	Very high	96.9	Very high	29 Å²	29	54.5 Å²	54.5	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-55.4	-43.2	176.6	-56.4	-11.4	0	0	0	111.5	R302 I306 R318 V320 F321 C327 A328	R302-D324 IonicContact NH2-OD2 3.94Å; R302-D324 PolarHBondContact NH2-OD2 3.13Å; I306-D324 HydrophobicContact CD1-CB 4.26Å; R318-D324 IonicContact NH2-OD1 3.3Å; V320-D324 HydrophobicContact CG1-CB 4.48Å; F321-D324 PolarHBondContact N-OD2 3.11Å; F321-D324 WeakPolarHBondContact O-CB 3.47Å; F321-D324 PolarHBondContact O-N 3.15Å; F321-D324 VanDerWaalsContact O-N 3.11Å; D324-C327 PolarHBondContact O-N 3.45Å; D324-A328 WeakPolarHBondContact O-CB 3.41Å; D324-A328 PolarHBondContact O-N 2.94Å
325	R	97.5	Very high	96.7	Very high	43 Å²	43	52.2 Å²	52.2	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-47.7	177.9	179.5	169.7	-57.2	-65.4	-2.3	112	I306 C309 K310 L312 F321 P322 M323 C327 A328 E329	I306-R325 HydrophobicContact CG2-CB 4.21Å; I306-R325 PolarHBondContact O-NH1 3.33Å; C309-R325 PolarHBondContact O-NH2 2.89Å; K310-R325 PolarHBondContact O-NH1 2.79Å; K310-R325 PolarHBondContact O-NH2 3.27Å; L312-R325 PolarHBondContact O-NH2 3.2Å; F321-R325 PolarHBondContact O-N 3.29Å; F321-R325 VanDerWaalsContact O-N 3.08Å; P322-R325 PolarHBondContact O-N 3.09Å; M323-R325 VanDerWaalsContact C-N 3.26Å; M323-R325 PolarHBondContact O-N 3.4Å; R325-C327 VanDerWaalsContact C-N 3.33Å; R325-C327 PolarHBondContact O-N 2.86Å; R325-A328 PolarHBondContact O-N 3.02Å; R325-E329 HydrophobicContact CG-CG 4.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.34Å; R325-E329 WeakPolarHBondContact O-CB 3.19Å; R325-E329 WeakPolarHBondContact O-CG 3.49Å; R325-E329 PolarHBondContact O-N 3.27Å
326	A	97.8	Very high	96.6	Very high	24 Å²	24	55 Å²	55	20%	0.198	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-41.6	178	0	0	0	0	0	111.9	P322 M323 A330 V342 W346	P322-A326 PolarHBondContact O-N 3.31Å; M323-A326 PolarHBondContact O-N 3.08Å; A326-A330 VanDerWaalsContact O-CB 3.23Å; A326-A330 WeakPolarHBondContact O-CB 3.41Å; A326-A330 PolarHBondContact O-N 3.43Å; A326-V342 HydrophobicContact CB-CG1 3.88Å; A326-W346 HydrophobicContact CB-CZ2 4.43Å
327	C	97.4	Very high	96.7	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-44.9	175.1	-68.4	0	0	0	0	111.9	M323 D324 R325 A330 F331 E339	M323-C327 WeakPolarHBondContact O-CB 3.38Å; M323-C327 PolarHBondContact O-N 3.08Å; M323-C327 PolarHBondContact O-SG 2.88Å; D324-C327 PolarHBondContact O-N 3.45Å; R325-C327 VanDerWaalsContact C-N 3.33Å; R325-C327 PolarHBondContact O-N 2.86Å; C327-A330 PolarHBondContact O-N 2.73Å; C327-F331 WeakPolarHBondContact O-CB 3.23Å; C327-F331 PolarHBondContact O-N 3.13Å; C327-E339 HydrophobicContact CB-CG 3.91Å
328	A	97.6	Very high	96.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-45.5	177.5	0	0	0	0	0	111.9	K303 I306 N307 D324 R325 A330 F331 Y332	K303-A328 HydrophobicContact CB-CB 4.24Å; I306-A328 HydrophobicContact CB-CB 4.19Å; I306-A328 HydrophobicContact CG2-CB 3.84Å; N307-A328 HydrophobicContact CB-CB 4.4Å; D324-A328 WeakPolarHBondContact O-CB 3.41Å; D324-A328 PolarHBondContact O-N 2.94Å; R325-A328 PolarHBondContact O-N 3.02Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.46Å; A328-F331 PolarHBondContact O-N 3.02Å; A328-Y332 VanDerWaalsContact O-CD2 3.31Å; A328-Y332 WeakPolarHBondContact O-CD2 3.44Å; A328-Y332 PolarHBondContact O-N 3.27Å; A328-Y332 VanDerWaalsContact O-N 3.11Å
329	E	97.3	Very high	96.9	Very high	91 Å²	91	54.4 Å²	54.4	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.2	-72.3	171.2	-168.3	0	0	111.6	R325 Y332 A333	R325-E329 HydrophobicContact CG-CG 4.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.34Å; R325-E329 WeakPolarHBondContact O-CB 3.19Å; R325-E329 WeakPolarHBondContact O-CG 3.49Å; R325-E329 PolarHBondContact O-N 3.27Å; E329-Y332 PolarHBondContact O-N 3.48Å; E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.48Å; E329-A333 PolarHBondContact O-N 2.94Å
330	A	97.9	Very high	96.9	Very high	10 Å²	10	55.8 Å²	55.8	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-44.6	176.1	0	0	0	0	0	112.6	A326 C327 A328 Y332 A333 E334 K338 V342	A326-A330 VanDerWaalsContact O-CB 3.23Å; A326-A330 WeakPolarHBondContact O-CB 3.41Å; A326-A330 PolarHBondContact O-N 3.43Å; C327-A330 PolarHBondContact O-N 2.73Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.46Å; A330-Y332 PolarHBondContact O-N 3.06Å; A330-A333 PolarHBondContact O-N 2.97Å; A330-E334 PolarHBondContact O-N 3.04Å; A330-K338 HydrophobicContact CB-CG 4.01Å; A330-V342 HydrophobicContact CB-CB 4.24Å; A330-V342 HydrophobicContact CB-CG2 3.86Å
331	F	97.5	Very high	96.9	Very high	38 Å²	38	59.4 Å²	59.4	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-46.7	176.6	176	-95.7	0	0	0	112.1	N300 K303 C327 A328 A333 G335 V336 E339	N300-F331 HydrophobicContact CB-CE1 4.44Å; N300-F331 VanDerWaalsContact ND2-CZ 3.32Å; N300-F331 WeakPolarHBondContact ND2-CZ 3.31Å; K303-F331 HydrophobicContact CD-CB 4.47Å; K303-F331 HydrophobicContact CD-CD1 4.29Å; K303-F331 HydrophobicContact CD-CD2 4.42Å; K303-F331 HydrophobicContact CD-CG 4.13Å; C327-F331 WeakPolarHBondContact O-CB 3.23Å; C327-F331 PolarHBondContact O-N 3.13Å; A328-F331 PolarHBondContact O-N 3.02Å; F331-A333 VanDerWaalsContact C-N 3.32Å; F331-A333 PolarHBondContact O-N 2.66Å; F331-G335 WeakPolarHBondContact O-CA 3.34Å; F331-G335 PolarHBondContact O-N 2.81Å; F331-V336 HydrophobicContact CD2-CG2 4.11Å; F331-V336 HydrophobicContact CE2-CG2 3.73Å; F331-E339 HydrophobicContact CB-CB 4.19Å; F331-E339 HydrophobicContact CB-CG 4.49Å; F331-E339 WeakPolarHBondContact CD2-OE2 3.47Å
332	Y	95.7	Very high	96.9	Very high	84 Å²	84	55.7 Å²	55.7	33%	0.329	29%	0.294	S	S	.	.	H	α-helix	trans	-76.5	-18.2	179.2	-80.5	-78.4	0	0	0	114	K303 N304 N307 A328 E329 A330	K303-Y332 HydrophobicContact CB-CE2 4.21Å; N304-Y332 WeakPolarHBondContact CA-OH 3.23Å; N304-Y332 HydrophobicContact CB-CE2 4.5Å; N304-Y332 WeakPolarHBondContact CB-OH 3.23Å; N304-Y332 VanDerWaalsContact CG-OH 3.28Å; N304-Y332 PolarHBondContact ND2-OH 3.46Å; N307-Y332 HydrophobicContact CB-CD2 3.48Å; N307-Y332 VanDerWaalsContact CB-CD2 3.48Å; N307-Y332 HydrophobicContact CB-CE2 3.82Å; N307-Y332 HydrophobicContact CB-CG 4.28Å; N307-Y332 VanDerWaalsContact CG-CD2 3.43Å; N307-Y332 WeakPolarHBondContact ND2-CB 3.35Å; N307-Y332 VanDerWaalsContact ND2-CD2 3.34Å; N307-Y332 WeakPolarHBondContact ND2-CD2 3.19Å; N307-Y332 VanDerWaalsContact ND2-CG 3.26Å; A328-Y332 VanDerWaalsContact O-CD2 3.31Å; A328-Y332 WeakPolarHBondContact O-CD2 3.44Å; A328-Y332 PolarHBondContact O-N 3.27Å; A328-Y332 VanDerWaalsContact O-N 3.11Å; E329-Y332 PolarHBondContact O-N 3.48Å; A330-Y332 PolarHBondContact O-N 3.06Å
333	A	95.6	Very high	96.9	Very high	75 Å²	75	53.7 Å²	53.7	62%	0.62	28%	0.275	S	S	*	.	H	α-helix	trans	-80.2	-52.6	176	0	0	0	0	0	112.4	E329 A330 F331	E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.48Å; E329-A333 PolarHBondContact O-N 2.94Å; A330-A333 PolarHBondContact O-N 2.97Å; F331-A333 VanDerWaalsContact C-N 3.32Å; F331-A333 PolarHBondContact O-N 2.66Å
334	E	95.2	Very high	97	Very high	138 Å²	138	55.4 Å²	55.4	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-134.1	-2.9	-169.4	-72.7	178.2	-150.4	0	0	114	A330 K338	A330-E334 PolarHBondContact O-N 3.04Å; E334-K338 HydrophobicContact CB-CB 3.56Å; E334-K338 HydrophobicContact CB-CG 3.9Å; E334-K338 HydrophobicContact CG-CG 4.46Å; E334-K338 WeakPolarHBondContact OE2-CD 3.36Å
335	G	94.9	Very high	97.1	Very high	21 Å²	21	58.9 Å²	58.9	22%	0.216	30%	0.297	C	S	.	.			trans	96.4	-163.7	178.6	0	0	0	0	0	114.4	F331 E337 K338 E339	F331-G335 WeakPolarHBondContact O-CA 3.34Å; F331-G335 PolarHBondContact O-N 2.81Å; G335-E337 PolarHBondContact O-N 3.27Å; G335-K338 PolarHBondContact O-N 3.13Å; G335-E339 PolarHBondContact O-N 3.26Å
336	V	96.2	Very high	97.1	Very high	61 Å²	61	62 Å²	62	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-41.1	-169.1	176.3	0	0	0	0	111.6	F331 K338 E339 H340	F331-V336 HydrophobicContact CD2-CG2 4.11Å; F331-V336 HydrophobicContact CE2-CG2 3.73Å; V336-K338 VanDerWaalsContact C-N 3.27Å; V336-K338 PolarHBondContact O-N 2.84Å; V336-E339 WeakPolarHBondContact O-CB 3.41Å; V336-E339 PolarHBondContact O-N 2.78Å; V336-H340 WeakPolarHBondContact CG1-CD2 3.21Å; V336-H340 WeakPolarHBondContact CG1-NE2 3.33Å; V336-H340 PolarHBondContact O-CD2 2.94Å; V336-H340 PolarHBondContact O-N 3.41Å
337	E	97.1	Very high	97	Very high	151 Å²	151	63.9 Å²	63.9	71%	0.706	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-40	-179.5	-61.8	90.8	164.6	0	0	111.9	G335 H340 E341	G335-E337 PolarHBondContact O-N 3.27Å; E337-H340 PolarHBondContact O-N 3.47Å; E337-E341 PolarHBondContact O-N 2.88Å
338	K	97.2	Very high	97	Very high	55 Å²	55	67.4 Å²	67.4	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-71.3	-37.6	179.5	-169.9	60.8	175.3	-178.8	0	112.2	A330 E334 G335 V336 E341 V342	A330-K338 HydrophobicContact CB-CG 4.01Å; E334-K338 HydrophobicContact CB-CB 3.56Å; E334-K338 HydrophobicContact CB-CG 3.9Å; E334-K338 HydrophobicContact CG-CG 4.46Å; E334-K338 WeakPolarHBondContact OE2-CD 3.36Å; G335-K338 PolarHBondContact O-N 3.13Å; V336-K338 VanDerWaalsContact C-N 3.27Å; V336-K338 PolarHBondContact O-N 2.84Å; K338-E341 WeakPolarHBondContact CD-OE2 3.19Å; K338-E341 IonicContact NZ-OE2 3.93Å; K338-E341 PolarHBondContact NZ-OE2 3.33Å; K338-E341 PolarHBondContact O-N 3.47Å; K338-V342 WeakPolarHBondContact O-CG2 3.32Å; K338-V342 PolarHBondContact O-N 3.41Å
339	E	97.4	Very high	97	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.019	36%	0.357	C	S	.	.	H	α-helix	trans	-57.7	-49.4	172.5	-178	-175	167.6	0	0	111.3	K303 C327 F331 G335 V336 E341 V342 R343	K303-E339 WeakPolarHBondContact CE-OE1 3.22Å; K303-E339 WeakPolarHBondContact CE-OE2 3.27Å; K303-E339 IonicContact NZ-OE1 3.4Å; K303-E339 PolarHBondContact NZ-OE1 3.17Å; K303-E339 IonicContact NZ-OE2 2.96Å; K303-E339 PolarHBondContact NZ-OE2 3.49Å; C327-E339 HydrophobicContact CB-CG 3.91Å; F331-E339 HydrophobicContact CB-CB 4.19Å; F331-E339 HydrophobicContact CB-CG 4.49Å; F331-E339 WeakPolarHBondContact CD2-OE2 3.47Å; G335-E339 PolarHBondContact O-N 3.26Å; V336-E339 WeakPolarHBondContact O-CB 3.41Å; V336-E339 PolarHBondContact O-N 2.78Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E339-E341 PolarHBondContact O-N 3.21Å; E339-V342 PolarHBondContact O-N 3.2Å; E339-R343 VanDerWaalsContact O-CB 3.3Å; E339-R343 WeakPolarHBondContact O-CB 3.32Å; E339-R343 PolarHBondContact O-N 3.09Å; E339-R343 IonicContact OE1-CZ 3.13Å; E339-R343 IonicContact OE1-NH2 2.76Å; E339-R343 PolarHBondContact OE1-NH2 3.11Å
340	H	97.1	Very high	96.9	Very high	77 Å²	77	69.8 Å²	69.8	36%	0.356	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-40.9	178.4	-72.3	-73.2	0	0	0	112.2	V336 E337 V342 R343 Q344	V336-H340 WeakPolarHBondContact CG1-CD2 3.21Å; V336-H340 WeakPolarHBondContact CG1-NE2 3.33Å; V336-H340 PolarHBondContact O-CD2 2.94Å; V336-H340 PolarHBondContact O-N 3.41Å; E337-H340 PolarHBondContact O-N 3.47Å; H340-V342 PolarHBondContact O-N 3.07Å; H340-R343 PolarHBondContact O-N 3.24Å; H340-Q344 VanDerWaalsContact O-CB 3.31Å; H340-Q344 WeakPolarHBondContact O-CB 3.43Å; H340-Q344 PolarHBondContact O-N 3.11Å
341	E	97.8	Very high	96.9	Very high	92 Å²	92	74.8 Å²	74.8	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-49.5	176.1	-166.4	-161.4	168	0	0	110.9	E337 K338 E339 Q344 Q345	E337-E341 PolarHBondContact O-N 2.88Å; K338-E341 WeakPolarHBondContact CD-OE2 3.19Å; K338-E341 IonicContact NZ-OE2 3.93Å; K338-E341 PolarHBondContact NZ-OE2 3.33Å; K338-E341 PolarHBondContact O-N 3.47Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E339-E341 PolarHBondContact O-N 3.21Å; E341-Q344 PolarHBondContact O-N 2.94Å; E341-Q345 VanDerWaalsContact O-CG 3.24Å; E341-Q345 WeakPolarHBondContact O-CG 3.3Å; E341-Q345 PolarHBondContact O-N 3.21Å; E341-Q345 PolarHBondContact OE1-NE2 2.95Å; E341-Q345 VanDerWaalsContact OE1-NE2 3.11Å
342	V	97.9	Very high	96.9	Very high	22 Å²	22	79.4 Å²	79.4	13%	0.133	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-46	178.6	170.4	0	0	0	0	110.7	A326 A330 K338 E339 H340 Q344 Q345 W346	A326-V342 HydrophobicContact CB-CG1 3.88Å; A330-V342 HydrophobicContact CB-CB 4.24Å; A330-V342 HydrophobicContact CB-CG2 3.86Å; K338-V342 WeakPolarHBondContact O-CG2 3.32Å; K338-V342 PolarHBondContact O-N 3.41Å; E339-V342 PolarHBondContact O-N 3.2Å; H340-V342 PolarHBondContact O-N 3.07Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 2.95Å; V342-Q345 WeakPolarHBondContact O-CB 3.4Å; V342-Q345 PolarHBondContact O-N 3.41Å; V342-W346 PolarHBondContact O-N 3.07Å; V342-W346 VanDerWaalsContact O-N 3.07Å
343	R	97.5	Very high	96.9	Very high	50 Å²	50	82.1 Å²	82.1	19%	0.189	41%	0.413	C	S	.	.	H	α-helix	trans	-57.2	-46.2	177.3	-173.1	177.7	-68.1	-171.7	-3.8	111.5	M323 E339 H340 Q345 W346 I347 D567	M323-R343 HydrophobicContact CE-CB 4.44Å; M323-R343 HydrophobicContact CE-CG 3.56Å; E339-R343 VanDerWaalsContact O-CB 3.3Å; E339-R343 WeakPolarHBondContact O-CB 3.32Å; E339-R343 PolarHBondContact O-N 3.09Å; E339-R343 IonicContact OE1-CZ 3.13Å; E339-R343 IonicContact OE1-NH2 2.76Å; E339-R343 PolarHBondContact OE1-NH2 3.11Å; H340-R343 PolarHBondContact O-N 3.24Å; R343-Q345 PolarHBondContact O-N 3.25Å; R343-W346 WeakPolarHBondContact O-CB 3.41Å; R343-W346 PolarHBondContact O-N 3.29Å; R343-I347 HydrophobicContact CG-CD1 4.19Å; R343-I347 WeakPolarHBondContact O-CG1 3.41Å; R343-I347 PolarHBondContact O-N 3.07Å; R343-D567 IonicContact NH1-OD2 3.5Å
344	Q	97.6	Very high	96.9	Very high	92 Å²	92	81.9 Å²	81.9	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-40.5	178.2	-170.6	61.5	49.8	0	0	111.5	H340 E341 V342 W346 I347 D348	H340-Q344 VanDerWaalsContact O-CB 3.31Å; H340-Q344 WeakPolarHBondContact O-CB 3.43Å; H340-Q344 PolarHBondContact O-N 3.11Å; E341-Q344 PolarHBondContact O-N 2.94Å; V342-Q344 VanDerWaalsContact C-N 3.33Å; V342-Q344 PolarHBondContact O-N 2.95Å; Q344-W346 VanDerWaalsContact C-N 3.3Å; Q344-W346 PolarHBondContact O-N 3.44Å; Q344-I347 PolarHBondContact O-N 2.99Å; Q344-D348 PolarHBondContact NE2-OD1 2.97Å; Q344-D348 WeakPolarHBondContact O-CB 3.28Å; Q344-D348 VanDerWaalsContact O-CG 3.24Å; Q344-D348 PolarHBondContact O-N 3.08Å
345	Q	98.1	Very high	96.9	Very high	102 Å²	102	79.6 Å²	79.6	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-59.1	-40.5	175	-71.7	171.1	19.1	0	0	112.2	E341 V342 R343 A349	E341-Q345 VanDerWaalsContact O-CG 3.24Å; E341-Q345 WeakPolarHBondContact O-CG 3.3Å; E341-Q345 PolarHBondContact O-N 3.21Å; E341-Q345 PolarHBondContact OE1-NE2 2.95Å; E341-Q345 VanDerWaalsContact OE1-NE2 3.11Å; V342-Q345 WeakPolarHBondContact O-CB 3.4Å; V342-Q345 PolarHBondContact O-N 3.41Å; R343-Q345 PolarHBondContact O-N 3.25Å; Q345-A349 VanDerWaalsContact O-CB 3.28Å; Q345-A349 WeakPolarHBondContact O-CB 3.49Å; Q345-A349 PolarHBondContact O-N 2.91Å
346	W	97.5	Very high	97	Very high	109 Å²	109	82.2 Å²	82.2	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-44.4	174.8	-81.2	98.9	0	0	0	112.1	P322 M323 A326 V342 R343 Q344 A349 D350	P322-W346 HydrophobicContact CB-CH2 4.06Å; M323-W346 HydrophobicContact CB-CD2 4.01Å; M323-W346 HydrophobicContact CB-CE3 4.25Å; M323-W346 HydrophobicContact CB-CG 4.22Å; M323-W346 HydrophobicContact CE-CB 3.96Å; M323-W346 HydrophobicContact CG-CB 3.96Å; M323-W346 HydrophobicContact CG-CD2 4.11Å; M323-W346 HydrophobicContact CG-CG 3.77Å; M323-W346 HydrophobicContact SD-CB 3.77Å; M323-W346 HydrophobicContact SD-CG 4.22Å; A326-W346 HydrophobicContact CB-CZ2 4.43Å; V342-W346 PolarHBondContact O-N 3.07Å; V342-W346 VanDerWaalsContact O-N 3.07Å; R343-W346 WeakPolarHBondContact O-CB 3.41Å; R343-W346 PolarHBondContact O-N 3.29Å; Q344-W346 VanDerWaalsContact C-N 3.3Å; Q344-W346 PolarHBondContact O-N 3.44Å; W346-A349 PolarHBondContact O-N 3.35Å; W346-D350 PolarHBondContact O-N 3.04Å
347	I	97	Very high	97	Very high	62 Å²	62	82.4 Å²	82.4	32%	0.318	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-48.5	177.9	-67.9	168.1	0	0	0	110.7	M323 R343 Q344 A349 D350 Q351	M323-I347 HydrophobicContact CE-CG1 4.17Å; R343-I347 HydrophobicContact CG-CD1 4.19Å; R343-I347 WeakPolarHBondContact O-CG1 3.41Å; R343-I347 PolarHBondContact O-N 3.07Å; Q344-I347 PolarHBondContact O-N 2.99Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 3.48Å; I347-D350 PolarHBondContact O-N 3.11Å; I347-Q351 HydrophobicContact CG2-CG 4.23Å; I347-Q351 WeakPolarHBondContact O-CB 3.41Å; I347-Q351 WeakPolarHBondContact O-CG 3.12Å; I347-Q351 PolarHBondContact O-N 3.45Å
348	D	97.9	Very high	96.9	Very high	81 Å²	81	79.3 Å²	79.3	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-39.1	179.9	-71.1	-12.1	0	0	0	111.7	Q344 K352	Q344-D348 PolarHBondContact NE2-OD1 2.97Å; Q344-D348 WeakPolarHBondContact O-CB 3.28Å; Q344-D348 VanDerWaalsContact O-CG 3.24Å; Q344-D348 PolarHBondContact O-N 3.08Å; D348-K352 VanDerWaalsContact O-CB 3.23Å; D348-K352 WeakPolarHBondContact O-CB 3.36Å; D348-K352 PolarHBondContact O-N 3.47Å
349	A	97.4	Very high	96.8	Very high	61 Å²	61	81.8 Å²	81.8	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-42.7	176.3	0	0	0	0	0	112	Q345 W346 I347 K353	Q345-A349 VanDerWaalsContact O-CB 3.28Å; Q345-A349 WeakPolarHBondContact O-CB 3.49Å; Q345-A349 PolarHBondContact O-N 2.91Å; W346-A349 PolarHBondContact O-N 3.35Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 3.48Å; A349-K353 PolarHBondContact O-N 2.91Å; A349-K353 VanDerWaalsContact O-N 3.07Å
350	D	95.4	Very high	96.7	Very high	81 Å²	81	89 Å²	89	43%	0.433	43%	0.434	S	S	.	.	H	α-helix	trans	-69.9	-43.8	177.9	-167.5	63.6	0	0	0	112	W346 I347 K352 K353 I354	W346-D350 PolarHBondContact O-N 3.04Å; I347-D350 PolarHBondContact O-N 3.11Å; D350-K352 VanDerWaalsContact C-N 3.29Å; D350-K352 PolarHBondContact O-N 2.87Å; D350-K353 WeakPolarHBondContact O-CB 3.45Å; D350-K353 PolarHBondContact O-N 3.5Å; D350-K353 VanDerWaalsContact O-N 3.08Å; D350-I354 WeakPolarHBondContact O-CG1 3.41Å; D350-I354 PolarHBondContact O-N 3.29Å
351	Q	96.5	Very high	96.6	Very high	115 Å²	115	90.2 Å²	90.2	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-42.4	174	-73.5	-178	4.9	0	0	111.8	I347 K353 I354 L355	I347-Q351 HydrophobicContact CG2-CG 4.23Å; I347-Q351 WeakPolarHBondContact O-CB 3.41Å; I347-Q351 WeakPolarHBondContact O-CG 3.12Å; I347-Q351 PolarHBondContact O-N 3.45Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 3.19Å; Q351-I354 PolarHBondContact O-N 3.01Å; Q351-L355 VanDerWaalsContact O-CB 3.29Å; Q351-L355 WeakPolarHBondContact O-CB 3.38Å; Q351-L355 PolarHBondContact O-N 2.92Å
352	K	97.1	Very high	96.2	Very high	134 Å²	134	88.5 Å²	88.5	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-42.7	175.2	-177.4	177.6	178.9	-179.4	0	111.6	D348 D350 I354 L355 D356	D348-K352 VanDerWaalsContact O-CB 3.23Å; D348-K352 WeakPolarHBondContact O-CB 3.36Å; D348-K352 PolarHBondContact O-N 3.47Å; D350-K352 VanDerWaalsContact C-N 3.29Å; D350-K352 PolarHBondContact O-N 2.87Å; K352-I354 PolarHBondContact O-N 3.3Å; K352-L355 PolarHBondContact O-N 3.3Å; K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.22Å; K352-D356 PolarHBondContact O-N 3.15Å
353	K	96.7	Very high	95.9	Very high	142 Å²	142	90.3 Å²	90.3	62%	0.617	45%	0.454	S	S	*	.	H	α-helix	trans	-61.8	-42	177.1	-178.2	-174.8	175.5	-170.6	0	112	A349 D350 Q351 S357	A349-K353 PolarHBondContact O-N 2.91Å; A349-K353 VanDerWaalsContact O-N 3.07Å; D350-K353 WeakPolarHBondContact O-CB 3.45Å; D350-K353 PolarHBondContact O-N 3.5Å; D350-K353 VanDerWaalsContact O-N 3.08Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 3.19Å; K353-S357 PolarHBondContact O-N 2.83Å; K353-S357 VanDerWaalsContact O-N 3.14Å; K353-S357 PolarHBondContact O-OG 3.2Å
354	I	95	Very high	95.6	Very high	69 Å²	69	92.8 Å²	92.8	35%	0.354	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-48.8	175.1	-65.9	167.9	0	0	0	109.9	D350 Q351 K352 D356 S357 V358 T562	D350-I354 WeakPolarHBondContact O-CG1 3.41Å; D350-I354 PolarHBondContact O-N 3.29Å; Q351-I354 PolarHBondContact O-N 3.01Å; K352-I354 PolarHBondContact O-N 3.3Å; I354-D356 VanDerWaalsContact C-N 3.34Å; I354-D356 PolarHBondContact O-N 3.4Å; I354-S357 WeakPolarHBondContact O-CB 3.49Å; I354-S357 PolarHBondContact O-N 2.81Å; I354-S357 VanDerWaalsContact O-N 3.12Å; I354-V358 HydrophobicContact CG2-CG2 4.49Å; I354-V358 WeakPolarHBondContact O-CG2 3.33Å; I354-V358 PolarHBondContact O-N 3.28Å; I354-T562 HydrophobicContact CD1-CG2 4.15Å
355	L	96.1	Very high	95.3	Very high	91 Å²	91	95.7 Å²	95.7	48%	0.476	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-43.1	-179.6	179.4	61.3	0	0	0	112.1	Q351 K352 S357 V358 K359	Q351-L355 VanDerWaalsContact O-CB 3.29Å; Q351-L355 WeakPolarHBondContact O-CB 3.38Å; Q351-L355 PolarHBondContact O-N 2.92Å; K352-L355 PolarHBondContact O-N 3.3Å; L355-S357 VanDerWaalsContact C-N 3.28Å; L355-S357 PolarHBondContact O-N 2.81Å; L355-V358 PolarHBondContact O-N 2.93Å; L355-K359 HydrophobicContact CD1-CG 4.49Å; L355-K359 HydrophobicContact CG-CD 4.31Å; L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 VanDerWaalsContact O-CG 3.32Å; L355-K359 WeakPolarHBondContact O-CG 3.32Å; L355-K359 PolarHBondContact O-N 3.13Å
356	D	97.2	Very high	94.9	Very high	76 Å²	76	93.6 Å²	93.6	41%	0.406	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-34.7	177.8	-71	-16.1	0	0	0	111.4	K352 I354 K359 W360	K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.22Å; K352-D356 PolarHBondContact O-N 3.15Å; I354-D356 VanDerWaalsContact C-N 3.34Å; I354-D356 PolarHBondContact O-N 3.4Å; D356-K359 IonicContact OD1-NZ 3.78Å; D356-W360 WeakPolarHBondContact O-CB 3.45Å; D356-W360 PolarHBondContact O-N 3.24Å
357	S	95.6	Very high	94.6	Very high	65 Å²	65	91.8 Å²	91.8	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-42.8	173.6	-57.2	0	0	0	0	112.2	K353 I354 L355 W360 L361	K353-S357 PolarHBondContact O-N 2.83Å; K353-S357 VanDerWaalsContact O-N 3.14Å; K353-S357 PolarHBondContact O-OG 3.2Å; I354-S357 WeakPolarHBondContact O-CB 3.49Å; I354-S357 PolarHBondContact O-N 2.81Å; I354-S357 VanDerWaalsContact O-N 3.12Å; L355-S357 VanDerWaalsContact C-N 3.28Å; L355-S357 PolarHBondContact O-N 2.81Å; S357-W360 PolarHBondContact O-N 3.23Å; S357-L361 WeakPolarHBondContact O-CG 3.29Å; S357-L361 PolarHBondContact O-N 3.49Å
358	V	94.7	Very high	94.3	Very high	85 Å²	85	93.4 Å²	93.4	52%	0.515	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-44.8	176	171.9	0	0	0	0	110.9	I354 L355 W360 L361 S362	I354-V358 HydrophobicContact CG2-CG2 4.49Å; I354-V358 WeakPolarHBondContact O-CG2 3.33Å; I354-V358 PolarHBondContact O-N 3.28Å; L355-V358 PolarHBondContact O-N 2.93Å; V358-W360 VanDerWaalsContact C-N 3.32Å; V358-W360 PolarHBondContact O-N 2.98Å; V358-L361 PolarHBondContact O-N 2.91Å; V358-S362 PolarHBondContact O-N 3.36Å
359	K	95.1	Very high	93.8	Very high	108 Å²	108	92.2 Å²	92.2	47%	0.47	46%	0.462	S	S	.	.	H	α-helix	trans	-58.4	-45.4	174.8	-74.4	171.6	-176.6	164.1	0	111.2	L355 D356 L361 S362 S363	L355-K359 HydrophobicContact CD1-CG 4.49Å; L355-K359 HydrophobicContact CG-CD 4.31Å; L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 VanDerWaalsContact O-CG 3.32Å; L355-K359 WeakPolarHBondContact O-CG 3.32Å; L355-K359 PolarHBondContact O-N 3.13Å; D356-K359 IonicContact OD1-NZ 3.78Å; K359-L361 VanDerWaalsContact C-N 3.32Å; K359-L361 PolarHBondContact O-N 3.48Å; K359-S362 PolarHBondContact O-N 3.43Å; K359-S363 PolarHBondContact O-N 2.93Å; K359-S363 PolarHBondContact O-OG 2.84Å
360	W	95.2	Very high	93.5	Very high	154 Å²	154	89.4 Å²	89.4	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-59	-43.5	176.9	-177	92	0	0	0	112.1	D356 S357 V358 K364	D356-W360 WeakPolarHBondContact O-CB 3.45Å; D356-W360 PolarHBondContact O-N 3.24Å; S357-W360 PolarHBondContact O-N 3.23Å; V358-W360 VanDerWaalsContact C-N 3.32Å; V358-W360 PolarHBondContact O-N 2.98Å; W360-K364 HydrophobicContact CE3-CD 4.45Å; W360-K364 HydrophobicContact CH2-CD 3.51Å; W360-K364 HydrophobicContact CZ2-CD 4.04Å; W360-K364 HydrophobicContact CZ3-CD 3.73Å; W360-K364 WeakPolarHBondContact O-CB 3.28Å; W360-K364 PolarHBondContact O-N 3.41Å
361	L	94.5	Very high	93.4	Very high	104 Å²	104	93.7 Å²	93.7	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-41.4	176.3	-72.2	172	0	0	0	112.3	S357 V358 K359 K364 R365	S357-L361 WeakPolarHBondContact O-CG 3.29Å; S357-L361 PolarHBondContact O-N 3.49Å; V358-L361 PolarHBondContact O-N 2.91Å; K359-L361 VanDerWaalsContact C-N 3.32Å; K359-L361 PolarHBondContact O-N 3.48Å; L361-K364 PolarHBondContact O-N 3.2Å; L361-R365 WeakPolarHBondContact O-CB 3.32Å; L361-R365 PolarHBondContact O-N 3.29Å
362	S	90.8	Very high	93.1	Very high	55 Å²	55	97.8 Å²	97.8	39%	0.385	46%	0.459	S	S	.	.	H	α-helix	trans	-59.9	-53.7	175.2	-166	0	0	0	0	110.7	V358 K359 K364 R365 E366	V358-S362 PolarHBondContact O-N 3.36Å; K359-S362 PolarHBondContact O-N 3.43Å; S362-K364 PolarHBondContact O-N 3.07Å; S362-R365 WeakPolarHBondContact O-CB 3.3Å; S362-R365 PolarHBondContact O-N 3.45Å; S362-E366 VanDerWaalsContact O-CG 3.28Å; S362-E366 WeakPolarHBondContact O-CG 3.44Å; S362-E366 PolarHBondContact O-N 2.95Å; S362-E366 PolarHBondContact OG-OE1 3.44Å
363	S	91.3	Very high	92.7	Very high	60 Å²	60	97.5 Å²	97.5	42%	0.42	45%	0.454	S	S	.	.	H	α-helix	trans	-60.3	-35.5	178.9	-59.1	0	0	0	0	112.4	K359 E366 I367	K359-S363 PolarHBondContact O-N 2.93Å; K359-S363 PolarHBondContact O-OG 2.84Å; S363-E366 PolarHBondContact O-N 3.37Å; S363-I367 WeakPolarHBondContact O-CD1 3.28Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.47Å; S363-I367 PolarHBondContact O-N 2.84Å; S363-I367 VanDerWaalsContact O-N 3.08Å
364	K	91.7	Very high	92.3	Very high	103 Å²	103	92.1 Å²	92.1	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175	-173.1	172.8	-178.6	-179.6	0	112.1	W360 L361 S362 E366 I367 I368	W360-K364 HydrophobicContact CE3-CD 4.45Å; W360-K364 HydrophobicContact CH2-CD 3.51Å; W360-K364 HydrophobicContact CZ2-CD 4.04Å; W360-K364 HydrophobicContact CZ3-CD 3.73Å; W360-K364 WeakPolarHBondContact O-CB 3.28Å; W360-K364 PolarHBondContact O-N 3.41Å; L361-K364 PolarHBondContact O-N 3.2Å; S362-K364 PolarHBondContact O-N 3.07Å; K364-E366 VanDerWaalsContact C-N 3.31Å; K364-I367 PolarHBondContact O-N 3.04Å; K364-I368 HydrophobicContact CG-CD1 4.24Å; K364-I368 WeakPolarHBondContact O-CG1 3.49Å; K364-I368 PolarHBondContact O-N 3.06Å; K364-I368 VanDerWaalsContact O-N 3.1Å
365	R	91	Very high	92.1	Very high	153 Å²	153	91.6 Å²	91.6	58%	0.577	44%	0.437	S	S	*	.	H	α-helix	trans	-60.8	-43.6	174	179.6	179.4	175.7	-176.8	-5.2	110.7	L361 S362 I367 I368 E369 W400	L361-R365 WeakPolarHBondContact O-CB 3.32Å; L361-R365 PolarHBondContact O-N 3.29Å; S362-R365 WeakPolarHBondContact O-CB 3.3Å; S362-R365 PolarHBondContact O-N 3.45Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.36Å; R365-I368 PolarHBondContact O-N 3.07Å; R365-E369 HydrophobicContact CG-CG 4.38Å; R365-E369 IonicContact CZ-OE1 2.74Å; R365-E369 IonicContact NE-OE1 2.94Å; R365-E369 PolarHBondContact NE-OE1 3.49Å; R365-E369 IonicContact NH2-OE1 3.78Å; R365-E369 PolarHBondContact NH2-OE1 3Å; R365-E369 VanDerWaalsContact NH2-OE1 3.13Å; R365-E369 PolarHBondContact O-N 2.68Å; R365-W400 HydrophobicContact CG-CZ3 4.43Å
366	E	89.6	Confident	91.9	Very high	57 Å²	57	91.1 Å²	91.1	27%	0.266	43%	0.433	S	S	.	.	H	α-helix	trans	-58.5	-43.5	178.4	-66.2	160.7	-150.8	0	0	113	S362 S363 K364 I368 A370 P395 W400	S362-E366 VanDerWaalsContact O-CG 3.28Å; S362-E366 WeakPolarHBondContact O-CG 3.44Å; S362-E366 PolarHBondContact O-N 2.95Å; S362-E366 PolarHBondContact OG-OE1 3.44Å; S363-E366 PolarHBondContact O-N 3.37Å; K364-E366 VanDerWaalsContact C-N 3.31Å; E366-I368 PolarHBondContact O-N 3.37Å; E366-A370 VanDerWaalsContact O-CB 3.3Å; E366-A370 WeakPolarHBondContact O-CB 3.39Å; E366-A370 PolarHBondContact O-N 2.74Å; E366-P395 HydrophobicContact CB-CB 4.01Å; E366-W400 VanDerWaalsContact CA-CZ2 3.43Å; E366-W400 HydrophobicContact CB-CH2 4.01Å; E366-W400 HydrophobicContact CB-CZ2 3.64Å; E366-W400 HydrophobicContact CG-CH2 3.78Å; E366-W400 HydrophobicContact CG-CZ2 3.49Å; E366-W400 VanDerWaalsContact CG-CZ2 3.49Å; E366-W400 HydrophobicContact CG-CZ3 4.39Å
367	I	91.1	Very high	91.6	Very high	72 Å²	72	90 Å²	90	37%	0.369	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-39.2	174.5	-66.7	163	0	0	0	111.9	S363 K364 R365 R371 P395	S363-I367 WeakPolarHBondContact O-CD1 3.28Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.47Å; S363-I367 PolarHBondContact O-N 2.84Å; S363-I367 VanDerWaalsContact O-N 3.08Å; K364-I367 PolarHBondContact O-N 3.04Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.36Å; I367-R371 VanDerWaalsContact O-CG 3.32Å; I367-R371 WeakPolarHBondContact O-CG 3.46Å; I367-R371 PolarHBondContact O-N 3.19Å; I367-P395 HydrophobicContact CG1-CG 3.94Å
368	I	90	Very high	91.3	Very high	96 Å²	96	91.4 Å²	91.4	49%	0.492	42%	0.422	S	S	.	.	H	α-helix	trans	-67.1	-45.6	179.7	-70	166	0	0	0	110.9	K364 R365 E366 R371 R372	K364-I368 HydrophobicContact CG-CD1 4.24Å; K364-I368 WeakPolarHBondContact O-CG1 3.49Å; K364-I368 PolarHBondContact O-N 3.06Å; K364-I368 VanDerWaalsContact O-N 3.1Å; R365-I368 PolarHBondContact O-N 3.07Å; E366-I368 PolarHBondContact O-N 3.37Å; I368-R371 PolarHBondContact O-N 3.29Å; I368-R372 WeakPolarHBondContact O-CB 3.49Å; I368-R372 PolarHBondContact O-N 3.07Å
369	E	88.4	Confident	91.2	Very high	56 Å²	56	92.6 Å²	92.6	26%	0.262	42%	0.42	S	S	.	.	H	α-helix	trans	-68.4	-37.8	-180	-62.5	-169.9	-165.3	0	0	111.5	R365 R371 R372 R373 V398 W400	R365-E369 HydrophobicContact CG-CG 4.38Å; R365-E369 IonicContact CZ-OE1 2.74Å; R365-E369 IonicContact NE-OE1 2.94Å; R365-E369 PolarHBondContact NE-OE1 3.49Å; R365-E369 IonicContact NH2-OE1 3.78Å; R365-E369 PolarHBondContact NH2-OE1 3Å; R365-E369 VanDerWaalsContact NH2-OE1 3.13Å; R365-E369 PolarHBondContact O-N 2.68Å; E369-R371 PolarHBondContact O-N 3.48Å; E369-R372 WeakPolarHBondContact O-CB 3.47Å; E369-R372 PolarHBondContact O-N 3.49Å; E369-R373 WeakPolarHBondContact O-CB 3.44Å; E369-R373 PolarHBondContact O-N 3.24Å; E369-V398 HydrophobicContact CB-CG1 4.45Å; E369-W400 HydrophobicContact CB-CH2 3.56Å; E369-W400 HydrophobicContact CB-CZ2 4.25Å; E369-W400 HydrophobicContact CB-CZ3 4.31Å; E369-W400 HydrophobicContact CG-CH2 3.72Å; E369-W400 HydrophobicContact CG-CZ3 4.06Å; E369-W400 WeakPolarHBondContact OE1-CZ3 3.41Å; E369-W400 WeakPolarHBondContact OE2-CH2 3.31Å; E369-W400 WeakPolarHBondContact OE2-CZ3 3.23Å
370	A	90.7	Very high	91.1	Very high	2 Å²	2	91.4 Å²	91.4	2%	0.017	42%	0.416	C	S	.	.	H	α-helix	trans	-58.4	-47.1	171.7	0	0	0	0	0	111.7	E366 R372 R373 E374 V393 P395 V398	E366-A370 VanDerWaalsContact O-CB 3.3Å; E366-A370 WeakPolarHBondContact O-CB 3.39Å; E366-A370 PolarHBondContact O-N 2.74Å; A370-R372 PolarHBondContact O-N 2.91Å; A370-R373 PolarHBondContact O-N 2.84Å; A370-E374 WeakPolarHBondContact O-CB 3.49Å; A370-E374 PolarHBondContact O-N 3.34Å; A370-V393 HydrophobicContact CB-CG1 4.26Å; A370-P395 HydrophobicContact CB-CG 4.37Å; A370-V398 HydrophobicContact CB-CG2 4.05Å
371	R	91.8	Very high	90.9	Very high	171 Å²	171	84.6 Å²	84.6	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-39.2	175.1	-74.3	177.3	-172.5	166.7	3.4	112.9	I367 I368 E369 R373 E374 A375	I367-R371 VanDerWaalsContact O-CG 3.32Å; I367-R371 WeakPolarHBondContact O-CG 3.46Å; I367-R371 PolarHBondContact O-N 3.19Å; I368-R371 PolarHBondContact O-N 3.29Å; E369-R371 PolarHBondContact O-N 3.48Å; R371-R373 VanDerWaalsContact C-N 3.33Å; R371-E374 PolarHBondContact O-N 2.93Å; R371-A375 WeakPolarHBondContact O-CB 3.49Å; R371-A375 PolarHBondContact O-N 3.08Å
372	R	90.7	Very high	90.7	Very high	200 Å²	200	86.8 Å²	86.8	76%	0.755	40%	0.4	S	S	*	.	H	α-helix	trans	-62.9	-43.6	176.7	-170.5	-177.6	-163.8	169.9	6.2	110.7	I368 E369 A370 A375 E376	I368-R372 WeakPolarHBondContact O-CB 3.49Å; I368-R372 PolarHBondContact O-N 3.07Å; E369-R372 WeakPolarHBondContact O-CB 3.47Å; E369-R372 PolarHBondContact O-N 3.49Å; A370-R372 PolarHBondContact O-N 2.91Å; R372-A375 PolarHBondContact O-N 3.19Å; R372-E376 PolarHBondContact O-N 2.95Å
373	R	88.7	Confident	90.8	Very high	128 Å²	128	91 Å²	91	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-39.8	176.7	-172.5	60.6	174	168.8	-1.3	111.5	E369 A370 R371 E376 L377 V393 V398	E369-R373 WeakPolarHBondContact O-CB 3.44Å; E369-R373 PolarHBondContact O-N 3.24Å; A370-R373 PolarHBondContact O-N 2.84Å; R371-R373 VanDerWaalsContact C-N 3.33Å; R373-E376 PolarHBondContact O-N 2.94Å; R373-L377 HydrophobicContact CG-CD1 4.39Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 2.95Å; R373-V393 HydrophobicContact CB-CG1 4.14Å; R373-V393 HydrophobicContact CG-CG1 4.16Å; R373-V393 HydrophobicContact CG-CG2 4.32Å; R373-V398 HydrophobicContact CB-CG2 4.45Å
374	E	89.8	Confident	90.8	Very high	29 Å²	29	91.4 Å²	91.4	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-60	-46.6	173.5	-165.2	-178.6	138.7	0	0	111.3	A370 R371 E376 L377 R378 I391 H392 V393	A370-E374 WeakPolarHBondContact O-CB 3.49Å; A370-E374 PolarHBondContact O-N 3.34Å; R371-E374 PolarHBondContact O-N 2.93Å; E374-E376 PolarHBondContact O-N 3.06Å; E374-L377 PolarHBondContact O-N 3.44Å; E374-R378 WeakPolarHBondContact O-CB 3.43Å; E374-R378 VanDerWaalsContact O-CG 3.28Å; E374-R378 WeakPolarHBondContact O-CG 3.36Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.17Å; E374-R378 VanDerWaalsContact OE1-CZ 3.3Å; E374-R378 IonicContact OE1-NE 2.87Å; E374-R378 PolarHBondContact OE1-NE 2.93Å; E374-R378 IonicContact OE1-NH2 3.37Å; E374-R378 PolarHBondContact OE1-NH2 3.34Å; E374-I391 HydrophobicContact CG-CG2 4.19Å; E374-I391 WeakPolarHBondContact CG-O 3.28Å; E374-I391 VanDerWaalsContact OE1-O 3.13Å; E374-H392 IonicContact OE2-CE1 3.82Å; E374-H392 IonicContact OE2-CG 2.76Å; E374-H392 IonicContact OE2-ND1 2.7Å; E374-H392 PolarHBondContact OE2-ND1 3.03Å; E374-V393 HydrophobicContact CB-CB 3.98Å; E374-V393 HydrophobicContact CB-CG2 3.88Å; E374-V393 HydrophobicContact CG-CG2 4.29Å; E374-V393 PolarHBondContact OE2-N 2.95Å
375	A	90.8	Very high	90.6	Very high	58 Å²	58	89.9 Å²	89.9	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-41.2	178.1	0	0	0	0	0	112.5	R371 R372 R378 K379	R371-A375 WeakPolarHBondContact O-CB 3.49Å; R371-A375 PolarHBondContact O-N 3.08Å; R372-A375 PolarHBondContact O-N 3.19Å; A375-R378 PolarHBondContact O-N 2.89Å; A375-K379 WeakPolarHBondContact O-CB 3.39Å; A375-K379 PolarHBondContact O-N 2.85Å
376	E	90.9	Very high	90.4	Very high	81 Å²	81	87.7 Å²	87.7	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-46.3	176	-177.2	58.7	-147.9	0	0	111.6	R372 R373 E374 R378 K379 Q380	R372-E376 PolarHBondContact O-N 2.95Å; R373-E376 PolarHBondContact O-N 2.94Å; E374-E376 PolarHBondContact O-N 3.06Å; E376-R378 PolarHBondContact O-N 3.28Å; E376-K379 PolarHBondContact O-N 2.91Å; E376-Q380 WeakPolarHBondContact O-CG 3.35Å; E376-Q380 PolarHBondContact O-N 3.13Å; E376-Q380 PolarHBondContact OE1-NE2 2.82Å
377	L	90.1	Very high	90.3	Very high	54 Å²	54	90 Å²	90	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-39.3	176.8	-71.1	176	0	0	0	112.1	R373 E374 K379 Q380 A381 I391 V393	R373-L377 HydrophobicContact CG-CD1 4.39Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 2.95Å; E374-L377 PolarHBondContact O-N 3.44Å; L377-K379 VanDerWaalsContact C-N 3.35Å; L377-Q380 PolarHBondContact O-N 3.12Å; L377-A381 WeakPolarHBondContact O-CB 3.4Å; L377-A381 PolarHBondContact O-N 3.14Å; L377-I391 HydrophobicContact CB-CG2 3.66Å; L377-I391 HydrophobicContact CD1-CG2 4.41Å; L377-V393 HydrophobicContact CD1-CG2 3.75Å
378	R	90.8	Very high	90	Very high	94 Å²	94	88.5 Å²	88.5	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.1	-77	174	178	-106.9	1.2	111.6	E374 A375 E376 A381 E382 T388 I391	E374-R378 WeakPolarHBondContact O-CB 3.43Å; E374-R378 VanDerWaalsContact O-CG 3.28Å; E374-R378 WeakPolarHBondContact O-CG 3.36Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.17Å; E374-R378 VanDerWaalsContact OE1-CZ 3.3Å; E374-R378 IonicContact OE1-NE 2.87Å; E374-R378 PolarHBondContact OE1-NE 2.93Å; E374-R378 IonicContact OE1-NH2 3.37Å; E374-R378 PolarHBondContact OE1-NH2 3.34Å; A375-R378 PolarHBondContact O-N 2.89Å; E376-R378 PolarHBondContact O-N 3.28Å; R378-A381 PolarHBondContact O-N 3.35Å; R378-E382 WeakPolarHBondContact O-CB 3.49Å; R378-E382 PolarHBondContact O-N 3.22Å; R378-T388 WeakPolarHBondContact O-CG2 3.24Å; R378-I391 HydrophobicContact CG-CB 3.96Å; R378-I391 HydrophobicContact CG-CD1 4.25Å; R378-I391 HydrophobicContact CG-CG2 3.95Å; R378-I391 PolarHBondContact NE-O 2.86Å; R378-I391 PolarHBondContact NH2-O 3.48Å
379	K	92	Very high	89.7	Confident	109 Å²	109	90.5 Å²	90.5	47%	0.474	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-45	176.6	-172.5	-173.3	175.4	-157.9	0	111.8	A375 E376 L377 A381 E382 E383	A375-K379 WeakPolarHBondContact O-CB 3.39Å; A375-K379 PolarHBondContact O-N 2.85Å; E376-K379 PolarHBondContact O-N 2.91Å; L377-K379 VanDerWaalsContact C-N 3.35Å; K379-A381 VanDerWaalsContact C-N 3.35Å; K379-A381 PolarHBondContact O-N 2.94Å; K379-E382 PolarHBondContact O-N 2.88Å; K379-E383 VanDerWaalsContact CE-OE1 3.22Å; K379-E383 WeakPolarHBondContact CE-OE1 3.32Å; K379-E383 IonicContact NZ-OE1 2.83Å; K379-E383 WeakPolarHBondContact O-CG 3.5Å; K379-E383 PolarHBondContact O-N 2.99Å
380	Q	92.4	Very high	89.5	Confident	84 Å²	84	95.3 Å²	95.3	39%	0.393	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-39.8	177.1	-71.1	175	13.6	0	0	112.3	E376 L377 E383 A384	E376-Q380 WeakPolarHBondContact O-CG 3.35Å; E376-Q380 PolarHBondContact O-N 3.13Å; E376-Q380 PolarHBondContact OE1-NE2 2.82Å; L377-Q380 PolarHBondContact O-N 3.12Å; Q380-E383 PolarHBondContact O-N 3.44Å; Q380-A384 VanDerWaalsContact O-CB 3.32Å; Q380-A384 WeakPolarHBondContact O-CB 3.43Å; Q380-A384 PolarHBondContact O-N 3.23Å
381	A	91.3	Very high	89.2	Confident	11 Å²	11	96.7 Å²	96.7	9%	0.091	49%	0.494	C	S	.	.	H	α-helix	trans	-65.6	-39.9	175.2	0	0	0	0	0	111.9	L377 R378 K379 A384 G385 L386 T388 I391	L377-A381 WeakPolarHBondContact O-CB 3.4Å; L377-A381 PolarHBondContact O-N 3.14Å; R378-A381 PolarHBondContact O-N 3.35Å; K379-A381 VanDerWaalsContact C-N 3.35Å; K379-A381 PolarHBondContact O-N 2.94Å; A381-A384 CarbonylContact O-C 3.55Å; A381-A384 PolarHBondContact O-N 3.08Å; A381-G385 PolarHBondContact O-N 3.4Å; A381-L386 HydrophobicContact CB-CB 4.15Å; A381-L386 PolarHBondContact O-N 2.9Å; A381-T388 HydrophobicContact CB-CG2 3.98Å; A381-I391 HydrophobicContact CB-CD1 3.42Å; A381-I391 VanDerWaalsContact CB-CD1 3.42Å
382	E	90.5	Very high	89	Confident	150 Å²	150	94.8 Å²	94.8	70%	0.701	49%	0.492	S	S	*	.	H	α-helix	trans	-62.8	-45.5	174.5	-171.9	173.6	-169.1	0	0	111.9	R378 K379 A384 G385 T388	R378-E382 WeakPolarHBondContact O-CB 3.49Å; R378-E382 PolarHBondContact O-N 3.22Å; K379-E382 PolarHBondContact O-N 2.88Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.41Å; E382-G385 PolarHBondContact O-N 3.21Å; E382-G385 VanDerWaalsContact O-N 3.11Å; E382-T388 HydrophobicContact CB-CG2 4.42Å
383	E	92.3	Very high	88.8	Confident	142 Å²	142	85.9 Å²	85.9	66%	0.664	46%	0.459	S	S	*	.	H	α-helix	trans	-62.5	-34.5	175.5	-72.7	176.1	-176	0	0	112.7	K379 Q380 G385	K379-E383 VanDerWaalsContact CE-OE1 3.22Å; K379-E383 WeakPolarHBondContact CE-OE1 3.32Å; K379-E383 IonicContact NZ-OE1 2.83Å; K379-E383 WeakPolarHBondContact O-CG 3.5Å; K379-E383 PolarHBondContact O-N 2.99Å; Q380-E383 PolarHBondContact O-N 3.44Å; E383-G385 VanDerWaalsContact C-N 3.33Å
384	A	91.8	Very high	88.8	Confident	70 Å²	70	82.3 Å²	82.3	58%	0.579	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.4	176.3	0	0	0	0	0	114.1	Q380 A381 E382 L386	Q380-A384 VanDerWaalsContact O-CB 3.32Å; Q380-A384 WeakPolarHBondContact O-CB 3.43Å; Q380-A384 PolarHBondContact O-N 3.23Å; A381-A384 CarbonylContact O-C 3.55Å; A381-A384 PolarHBondContact O-N 3.08Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.41Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 HydrophobicContact CB-CD1 3.94Å; A384-L386 HydrophobicContact CB-CG 4.15Å; A384-L386 PolarHBondContact O-N 3.33Å
385	G	87.8	Confident	88.4	Confident	70 Å²	70	83.1 Å²	83.1	72%	0.722	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	25.7	-175.5	0	0	0	0	0	114.4	A381 E382 E383	A381-G385 PolarHBondContact O-N 3.4Å; E382-G385 PolarHBondContact O-N 3.21Å; E382-G385 VanDerWaalsContact O-N 3.11Å; E383-G385 VanDerWaalsContact C-N 3.33Å
386	L	87.8	Confident	88.1	Confident	108 Å²	108	83.8 Å²	83.8	57%	0.565	47%	0.472	S	S	*	.			trans	-94.2	152.2	178.1	-68.8	167.2	0	0	0	111.5	A381 A384 T388	A381-L386 HydrophobicContact CB-CB 4.15Å; A381-L386 PolarHBondContact O-N 2.9Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 HydrophobicContact CB-CD1 3.94Å; A384-L386 HydrophobicContact CB-CG 4.15Å; A384-L386 PolarHBondContact O-N 3.33Å; L386-T388 PolarHBondContact O-N 3.19Å
387	P	86.7	Confident	87.5	Confident	104 Å²	104	84.9 Å²	84.9	68%	0.675	48%	0.481	S	S	*	.			trans	-60.9	133.9	174.4	-21.3	32.7	0	0	0	112.5
388	T	84.8	Confident	86.7	Confident	41 Å²	41	83.4 Å²	83.4	25%	0.252	47%	0.474	S	S	.	.			trans	-97.3	-14.2	-177.7	53.9	0	0	0	0	114.2	R378 A381 E382 L386 N390 I391	R378-T388 WeakPolarHBondContact O-CG2 3.24Å; A381-T388 HydrophobicContact CB-CG2 3.98Å; E382-T388 HydrophobicContact CB-CG2 4.42Å; L386-T388 PolarHBondContact O-N 3.19Å; T388-N390 VanDerWaalsContact C-N 3.28Å; T388-N390 PolarHBondContact O-N 3.49Å; T388-I391 WeakPolarHBondContact O-CB 3.39Å; T388-I391 PolarHBondContact O-N 3.07Å; T388-I391 VanDerWaalsContact O-N 3.15Å
389	D	83.6	Confident	85.7	Confident	138 Å²	138	83.7 Å²	83.7	74%	0.738	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.4	-170.6	-64.9	-33.7	0	0	0	114.2	I391	D389-I391 VanDerWaalsContact C-N 3.34Å
390	N	83.4	Confident	84.5	Confident	157 Å²	157	83.3 Å²	83.3	84%	0.84	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	3.3	-177.7	-65.7	-17.2	0	0	0	113.3	T388 H392	T388-N390 VanDerWaalsContact C-N 3.28Å; T388-N390 PolarHBondContact O-N 3.49Å; N390-H392 PolarHBondContact O-N 3.1Å
391	I	85	Confident	83	Confident	31 Å²	31	86.1 Å²	86.1	16%	0.159	50%	0.495	C	S	.	.			trans	-87.9	104.7	-177.8	-56.8	173.8	0	0	0	108.6	E374 L377 R378 A381 T388 D389	E374-I391 HydrophobicContact CG-CG2 4.19Å; E374-I391 WeakPolarHBondContact CG-O 3.28Å; E374-I391 VanDerWaalsContact OE1-O 3.13Å; L377-I391 HydrophobicContact CB-CG2 3.66Å; L377-I391 HydrophobicContact CD1-CG2 4.41Å; R378-I391 HydrophobicContact CG-CB 3.96Å; R378-I391 HydrophobicContact CG-CD1 4.25Å; R378-I391 HydrophobicContact CG-CG2 3.95Å; R378-I391 PolarHBondContact NE-O 2.86Å; R378-I391 PolarHBondContact NH2-O 3.48Å; A381-I391 HydrophobicContact CB-CD1 3.42Å; A381-I391 VanDerWaalsContact CB-CD1 3.42Å; T388-I391 WeakPolarHBondContact O-CB 3.39Å; T388-I391 PolarHBondContact O-N 3.07Å; T388-I391 VanDerWaalsContact O-N 3.15Å; D389-I391 VanDerWaalsContact C-N 3.34Å
392	H	87.3	Confident	81.3	Confident	132 Å²	132	92.9 Å²	92.9	61%	0.611	52%	0.519	S	S	*	.			trans	-131.8	133.4	171.1	-176.5	47.8	0	0	0	109	E374 N390	E374-H392 IonicContact OE2-CE1 3.82Å; E374-H392 IonicContact OE2-CG 2.76Å; E374-H392 IonicContact OE2-ND1 2.7Å; E374-H392 PolarHBondContact OE2-ND1 3.03Å; N390-H392 PolarHBondContact O-N 3.1Å
393	V	87.9	Confident	79.4	Confident	12 Å²	12	89 Å²	89	7%	0.073	52%	0.519	C	S	.	.			trans	-119.9	122.3	177.1	-177.1	0	0	0	0	108	A370 R373 E374 L377 D397 V398	A370-V393 HydrophobicContact CB-CG1 4.26Å; R373-V393 HydrophobicContact CB-CG1 4.14Å; R373-V393 HydrophobicContact CG-CG1 4.16Å; R373-V393 HydrophobicContact CG-CG2 4.32Å; E374-V393 HydrophobicContact CB-CB 3.98Å; E374-V393 HydrophobicContact CB-CG2 3.88Å; E374-V393 HydrophobicContact CG-CG2 4.29Å; E374-V393 PolarHBondContact OE2-N 2.95Å; L377-V393 HydrophobicContact CD1-CG2 3.75Å; V393-D397 HydrophobicContact CG1-CB 3.86Å; V393-V398 HydrophobicContact CG1-CG2 4.02Å
394	T	88.2	Confident	77.4	Confident	54 Å²	54	87.3 Å²	87.3	33%	0.331	52%	0.515	S	S	.	.			trans	-90.5	158.4	173.8	71.1	0	0	0	0	110.6	G396 D397	T394-G396 PolarHBondContact O-N 3.39Å; T394-G396 VanDerWaalsContact O-N 3.07Å; T394-D397 WeakPolarHBondContact CA-OD2 3.39Å; T394-D397 WeakPolarHBondContact CB-OD2 3.23Å; T394-D397 PolarHBondContact N-OD2 3.01Å; T394-D397 WeakPolarHBondContact O-CB 3.41Å; T394-D397 PolarHBondContact O-N 3.41Å; T394-D397 PolarHBondContact OG1-OD2 2.92Å
395	P	81.7	Confident	75.5	Confident	46 Å²	46	87.9 Å²	87.9	30%	0.299	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-45.8	-34.4	171.6	-36.7	41.6	0	0	0	115.6	E366 I367 A370 D397 W400	E366-P395 HydrophobicContact CB-CB 4.01Å; I367-P395 HydrophobicContact CG1-CG 3.94Å; A370-P395 HydrophobicContact CB-CG 4.37Å; P395-D397 VanDerWaalsContact C-N 3.35Å; P395-W400 PolarHBondContact O-NE1 2.87Å
396	G	82.9	Confident	73.6	Confident	71 Å²	71	90 Å²	90	73%	0.732	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-78.3	-15.7	179.5	0	0	0	0	0	114.6	T394 V398	T394-G396 PolarHBondContact O-N 3.39Å; T394-G396 VanDerWaalsContact O-N 3.07Å; G396-V398 VanDerWaalsContact C-N 3.33Å
397	D	78.7	Confident	71.6	Confident	105 Å²	105	92.5 Å²	92.5	56%	0.561	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-85.2	-10	179.3	-59.3	-45.3	0	0	0	112.5	V393 T394 P395	V393-D397 HydrophobicContact CG1-CB 3.86Å; T394-D397 WeakPolarHBondContact CA-OD2 3.39Å; T394-D397 WeakPolarHBondContact CB-OD2 3.23Å; T394-D397 PolarHBondContact N-OD2 3.01Å; T394-D397 WeakPolarHBondContact O-CB 3.41Å; T394-D397 PolarHBondContact O-N 3.41Å; T394-D397 PolarHBondContact OG1-OD2 2.92Å; P395-D397 VanDerWaalsContact C-N 3.35Å
398	V	73.3	Confident	69.6	Low	23 Å²	23	91.3 Å²	91.3	14%	0.139	51%	0.511	C	S	.	.	S	Bend	trans	-88.5	120.6	175.7	-177.1	0	0	0	0	108.5	E369 A370 R373 V393 G396 W400	E369-V398 HydrophobicContact CB-CG1 4.45Å; A370-V398 HydrophobicContact CB-CG2 4.05Å; R373-V398 HydrophobicContact CB-CG2 4.45Å; V393-V398 HydrophobicContact CG1-CG2 4.02Å; G396-V398 VanDerWaalsContact C-N 3.33Å; V398-W400 HydrophobicContact CB-CZ2 3.94Å; V398-W400 HydrophobicContact CG1-CD2 4.44Å; V398-W400 HydrophobicContact CG1-CH2 4.4Å; V398-W400 HydrophobicContact CG1-CZ2 3.93Å; V398-W400 PolarHBondContact O-N 3.05Å; V398-W400 PolarHBondContact O-NE1 2.92Å
399	D	69.9	Low	67.6	Low	100 Å²	100	96.1 Å²	96.1	54%	0.535	53%	0.528	S	S	.	.			trans	-80.4	99.5	176.4	-168.4	-12.9	0	0	0	110.5	L401 Y402	D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 PolarHBondContact O-N 3.36Å; D399-L401 PolarHBondContact OD1-N 3.15Å; D399-L401 VanDerWaalsContact OD1-N 3.16Å; D399-Y402 WeakPolarHBondContact OD2-CD2 3.36Å
400	W	66.8	Low	65.4	Low	101 Å²	101	96.3 Å²	96.3	38%	0.383	53%	0.53	S	S	.	.	S	Bend	trans	-70.8	-24.1	-177.7	-60.8	95.1	0	0	0	113.8	R365 E366 E369 P395 V398	R365-W400 HydrophobicContact CG-CZ3 4.43Å; E366-W400 VanDerWaalsContact CA-CZ2 3.43Å; E366-W400 HydrophobicContact CB-CH2 4.01Å; E366-W400 HydrophobicContact CB-CZ2 3.64Å; E366-W400 HydrophobicContact CG-CH2 3.78Å; E366-W400 HydrophobicContact CG-CZ2 3.49Å; E366-W400 VanDerWaalsContact CG-CZ2 3.49Å; E366-W400 HydrophobicContact CG-CZ3 4.39Å; E369-W400 HydrophobicContact CB-CH2 3.56Å; E369-W400 HydrophobicContact CB-CZ2 4.25Å; E369-W400 HydrophobicContact CB-CZ3 4.31Å; E369-W400 HydrophobicContact CG-CH2 3.72Å; E369-W400 HydrophobicContact CG-CZ3 4.06Å; E369-W400 WeakPolarHBondContact OE1-CZ3 3.41Å; E369-W400 WeakPolarHBondContact OE2-CH2 3.31Å; E369-W400 WeakPolarHBondContact OE2-CZ3 3.23Å; P395-W400 PolarHBondContact O-NE1 2.87Å; V398-W400 HydrophobicContact CB-CZ2 3.94Å; V398-W400 HydrophobicContact CG1-CD2 4.44Å; V398-W400 HydrophobicContact CG1-CH2 4.4Å; V398-W400 HydrophobicContact CG1-CZ2 3.93Å; V398-W400 PolarHBondContact O-N 3.05Å; V398-W400 PolarHBondContact O-NE1 2.92Å
401	L	62	Low	63.1	Low	143 Å²	143	97.8 Å²	97.8	75%	0.749	53%	0.531	S	S	*	.	S	Bend	trans	-81.5	-25.9	-171.9	-160.7	72.8	0	0	0	111.7	D399	D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 PolarHBondContact O-N 3.36Å; D399-L401 PolarHBondContact OD1-N 3.15Å; D399-L401 VanDerWaalsContact OD1-N 3.16Å
402	Y	55.6	Low	60.7	Low	152 Å²	152	100.5 Å²	100.5	60%	0.596	55%	0.553	S	S	*	*			trans	-115.6	70.2	-179	-58	-86.5	0	0	0	110	D399 D404	D399-Y402 WeakPolarHBondContact OD2-CD2 3.36Å; Y402-D404 PolarHBondContact O-N 3.22Å
403	G	50.9	Low	58.2	Low	68 Å²	68	102.1 Å²	102.1	70%	0.701	57%	0.566	S	S	*	*			trans	-59.4	103	163.4	0	0	0	0	0	109.2	V405	G403-V405 VanDerWaalsContact C-N 3.34Å; G403-V405 PolarHBondContact O-N 2.83Å
404	D	50.1	Low	55.6	Low	107 Å²	107	106.9 Å²	106.9	57%	0.572	60%	0.6	S	S	*	*			trans	19.2	64	170.3	-70.2	-18.6	0	0	0	115.4	Y402 D406 K407	Y402-D404 PolarHBondContact O-N 3.22Å; D404-D406 PolarHBondContact O-N 3.27Å; D404-D406 VanDerWaalsContact O-N 3.11Å; D404-K407 HydrophobicContact CB-CB 4.48Å; D404-K407 PolarHBondContact O-N 2.96Å; D404-K407 IonicContact OD2-NZ 3.95Å
405	V	50.6	Low	52.9	Low	82 Å²	82	111.7 Å²	111.7	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-59	-22.9	168.2	-177.6	0	0	0	0	110	G403 K407 A408	G403-V405 VanDerWaalsContact C-N 3.34Å; G403-V405 PolarHBondContact O-N 2.83Å; V405-K407 VanDerWaalsContact C-N 3.31Å; V405-K407 PolarHBondContact O-N 3.48Å; V405-A408 PolarHBondContact O-N 3.29Å
406	D	48.2	Very low	50.6	Low	114 Å²	114	118.4 Å²	118.4	61%	0.61	65%	0.651	S	S	*	*	H	α-helix	trans	-74.7	-14.4	-178.7	-64.6	-26.8	0	0	0	114.1	D404	D404-D406 PolarHBondContact O-N 3.27Å; D404-D406 VanDerWaalsContact O-N 3.11Å
407	K	45.8	Very low	48	Very low	161 Å²	161	124.2 Å²	124.2	70%	0.7	66%	0.659	S	S	*	*	H	α-helix	trans	-77.8	-24.6	168.9	-87.4	-179.4	179.9	161.8	0	113.2	D404 V405 K409	D404-K407 HydrophobicContact CB-CB 4.48Å; D404-K407 PolarHBondContact O-N 2.96Å; D404-K407 IonicContact OD2-NZ 3.95Å; V405-K407 VanDerWaalsContact C-N 3.31Å; V405-K407 PolarHBondContact O-N 3.48Å; K407-K409 VanDerWaalsContact C-N 3.34Å
408	A	44.4	Very low	45.6	Very low	79 Å²	79	126.7 Å²	126.7	65%	0.653	67%	0.672	S	S	*	*	H	α-helix	trans	-78.4	-18.3	177.1	0	0	0	0	0	113.1	V405	V405-A408 PolarHBondContact O-N 3.29Å
409	K	42.6	Very low	43.5	Very low	142 Å²	142	135.1 Å²	135.1	62%	0.617	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-83.5	-10.1	-177.2	-81.6	-178.4	178.2	168.2	0	115.4	K407	K407-K409 VanDerWaalsContact C-N 3.34Å
410	N	37.8	Very low	41.7	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-91.4	7.9	-176.1	-70.3	-15.6	0	0	0	114.4
411	E	36.6	Very low	39.9	Very low	188 Å²	188	140.9 Å²	140.9	88%	0.879	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-115.6	6.6	-179	-70.7	-167.5	170.8	0	0	115.8
412	S	34.7	Very low	38.3	Very low	88 Å²	88	141.2 Å²	141.2	62%	0.615	75%	0.749	S	S	*	*			trans	-124.2	97.3	-179.9	66	0	0	0	0	112.6
413	D	33.9	Very low	37.2	Very low	165 Å²	165	141.3 Å²	141.3	88%	0.882	76%	0.76	S	S	*	*			trans	-152.6	69.8	165.1	-123.2	-0.9	0	0	0	110.1
414	S	34	Very low	36.1	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	77%	0.767	S	S	*	*			trans	-163.3	74	153.2	66.8	0	0	0	0	110.3	Q416	S414-Q416 PolarHBondContact O-N 3.36Å
415	D	30.3	Very low	35.2	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	78%	0.777	S	S	*	*			trans	-76.2	114.4	169.7	-66	-37.6	0	0	0	109.3
416	Q	33.2	Very low	34.1	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	79%	0.794	S	S	*	*			trans	-114.8	116.4	162.4	-79.1	-171.3	-7.8	0	0	108.9	S414 L418	S414-Q416 PolarHBondContact O-N 3.36Å; Q416-L418 PolarHBondContact O-N 2.83Å
417	E	29.8	Very low	33.1	Very low	192 Å²	192	153.1 Å²	153.1	90%	0.897	80%	0.803	S	S	*	*			trans	-56.3	121.9	176.1	-65.8	169.5	142.8	0	0	111.2
418	L	28	Very low	32.1	Very low	158 Å²	158	151.1 Å²	151.1	83%	0.827	81%	0.809	S	S	*	*			trans	-126.8	119.4	162.3	-74.5	174.8	0	0	0	108.9	Q416 E420	Q416-L418 PolarHBondContact O-N 2.83Å; L418-E420 PolarHBondContact O-N 2.91Å
419	E	28.6	Very low	31.2	Very low	199 Å²	199	153.2 Å²	153.2	93%	0.93	81%	0.814	S	S	*	*			trans	-67.5	117.5	173	-66	-170.4	155.7	0	0	109.9
420	E	32.2	Very low	30.4	Very low	189 Å²	189	153.3 Å²	153.3	88%	0.883	83%	0.826	S	S	*	*			trans	-106.9	128.7	172.1	-76.4	-170.5	163.3	0	0	111.8	L418	L418-E420 PolarHBondContact O-N 2.91Å
421	T	28.3	Very low	29.7	Very low	133 Å²	133	152.2 Å²	152.2	82%	0.816	83%	0.825	S	S	*	*			trans	-81.9	131.8	-178.4	49	0	0	0	0	112.4
422	N	28.5	Very low	29.2	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	82%	0.823	S	S	*	*			trans	-44.2	118.2	176	-148.7	1.7	0	0	0	115.3
423	N	32	Very low	28.9	Very low	153 Å²	153	149.6 Å²	149.6	82%	0.818	83%	0.828	S	S	*	*			trans	-123.8	113.2	163.9	-84.9	-32.3	0	0	0	110.1	V425	N423-V425 PolarHBondContact O-N 3.27Å
424	N	27.9	Very low	28.4	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	83%	0.829	S	S	*	*			trans	-58.7	123.7	171.5	-92.4	-25.9	0	0	0	111.2
425	V	31.6	Very low	28.1	Very low	130 Å²	130	148.4 Å²	148.4	79%	0.788	82%	0.824	S	S	*	*			trans	-131.4	127.2	154.2	180	0	0	0	0	108.5	N423 N427	N423-V425 PolarHBondContact O-N 3.27Å; V425-N427 PolarHBondContact O-N 3.43Å
426	E	28	Very low	28	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	82%	0.823	S	S	*	*			trans	-70	108.6	-173.3	-63	170.5	155.4	0	0	110.7	S428	E426-S428 PolarHBondContact O-N 3.21Å
427	N	27.5	Very low	27.7	Very low	152 Å²	152	148.1 Å²	148.1	81%	0.813	82%	0.819	S	S	*	*			trans	-80.6	109.3	171	-82	-16.6	0	0	0	110	V425 T429	V425-N427 PolarHBondContact O-N 3.43Å; N427-T429 PolarHBondContact O-N 2.88Å
428	S	24.9	Very low	27.6	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	82%	0.816	S	S	*	*			trans	-64.8	118.3	169.4	-68.5	0	0	0	0	109.6	E426	E426-S428 PolarHBondContact O-N 3.21Å
429	T	25.6	Very low	27.6	Very low	123 Å²	123	147.3 Å²	147.3	76%	0.755	81%	0.811	S	S	*	*			trans	-84.4	111.6	-177.5	35.2	0	0	0	0	109.7	N427 T431	N427-T429 PolarHBondContact O-N 2.88Å; T429-T431 PolarHBondContact O-N 3.47Å
430	V	24.3	Very low	27.4	Very low	144 Å²	144	145.2 Å²	145.2	87%	0.873	81%	0.806	S	S	*	*			trans	-85.9	100	166	179.6	0	0	0	0	107.2	S432	V430-S432 PolarHBondContact O-N 3.33Å
431	T	24.8	Very low	27	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	80%	0.8	S	S	*	*			trans	-75.1	108.7	175.1	43.7	0	0	0	0	110.2	T429 S433	T429-T431 PolarHBondContact O-N 3.47Å; T431-S433 PolarHBondContact O-N 2.85Å
432	S	25.1	Very low	26.8	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	79%	0.794	S	S	*	*			trans	-78.3	104	158	-82.2	0	0	0	0	108.5	V430 N434	V430-S432 PolarHBondContact O-N 3.33Å; S432-N434 PolarHBondContact O-N 2.76Å
433	S	29.2	Very low	26.8	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	80%	0.796	S	S	*	*			trans	-83.8	98	173	51.3	0	0	0	0	110	T431 A435	T431-S433 PolarHBondContact O-N 2.85Å; S433-A435 PolarHBondContact O-N 3.13Å
434	N	21.6	Very low	26.5	Very low	171 Å²	171	143.6 Å²	143.6	91%	0.914	79%	0.792	S	S	*	*			trans	-70.7	98.7	151.9	-91.8	8.5	0	0	0	107.6	S432	S432-N434 PolarHBondContact O-N 2.76Å
435	A	29.7	Very low	26.4	Very low	81 Å²	81	143.6 Å²	143.6	67%	0.669	79%	0.792	S	S	*	*			trans	-111.8	120.4	166.5	0	0	0	0	0	108.4	S433	S433-A435 PolarHBondContact O-N 3.13Å
436	K	26.1	Very low	26.4	Very low	185 Å²	185	142.7 Å²	142.7	80%	0.804	79%	0.791	S	S	*	*			trans	-74.1	118.1	171.4	-63.6	173.1	172.2	-172.4	0	107.8
437	D	28.2	Very low	26.3	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	78%	0.776	S	S	*	*			trans	-113.7	88.8	162	-74.4	-32.4	0	0	0	108.2	E439	D437-E439 VanDerWaalsContact C-N 3.35Å; D437-E439 PolarHBondContact O-N 3.48Å
438	E	27.5	Very low	26.5	Very low	177 Å²	177	135.4 Å²	135.4	83%	0.827	78%	0.778	S	S	*	*			trans	-76.6	84.5	163.1	-72.2	-179.7	-172.6	0	0	108.1
439	E	28.6	Very low	26.5	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.724	78%	0.78	S	S	*	*			trans	-97.7	88.5	163	-76.5	-159.3	166.5	0	0	110	D437 Y441	D437-E439 VanDerWaalsContact C-N 3.35Å; D437-E439 PolarHBondContact O-N 3.48Å; E439-Y441 PolarHBondContact O-N 3.48Å
440	L	23.1	Very low	26.5	Very low	156 Å²	156	140.2 Å²	140.2	82%	0.817	78%	0.783	S	S	*	*			trans	-64.7	88.3	170.7	-169.5	90.5	0	0	0	110.1	T442	L440-T442 PolarHBondContact O-N 3.44Å
441	Y	25.1	Very low	26.6	Very low	194 Å²	194	139.8 Å²	139.8	76%	0.761	78%	0.78	S	S	*	*			trans	-78.8	107.5	166.3	-93.2	-90.2	0	0	0	109.9	E439 I443	E439-Y441 PolarHBondContact O-N 3.48Å; Y441-I443 PolarHBondContact O-N 2.87Å; Y441-I443 VanDerWaalsContact O-N 3.16Å
442	T	24.4	Very low	26.7	Very low	111 Å²	111	142 Å²	142	68%	0.681	78%	0.783	S	S	*	*			trans	-63.4	108.9	173.1	49.8	0	0	0	0	110.2	L440 T444	L440-T442 PolarHBondContact O-N 3.44Å; T442-T444 PolarHBondContact O-N 2.93Å
443	I	26.8	Very low	26.6	Very low	167 Å²	167	142.2 Å²	142.2	86%	0.856	78%	0.781	S	S	*	*			trans	-67.6	110.4	169.2	-62.9	173	0	0	0	107.6	Y441 D445	Y441-I443 PolarHBondContact O-N 2.87Å; Y441-I443 VanDerWaalsContact O-N 3.16Å; I443-D445 PolarHBondContact O-N 3.37Å
444	T	26	Very low	26.4	Very low	119 Å²	119	143.1 Å²	143.1	73%	0.73	79%	0.788	S	S	*	*			trans	-75.7	115.5	171.1	48.5	0	0	0	0	109.7	T442 S446	T442-T444 PolarHBondContact O-N 2.93Å; T444-S446 PolarHBondContact O-N 3.38Å
445	D	26.5	Very low	26.6	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	78%	0.779	S	S	*	*			trans	-48	96.8	165.5	-175.2	15.8	0	0	0	111.8	I443	I443-D445 PolarHBondContact O-N 3.37Å
446	S	31.2	Very low	26.5	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	79%	0.791	S	S	*	*			trans	-98.5	105.7	163.2	59.2	0	0	0	0	108	T444	T444-S446 PolarHBondContact O-N 3.38Å
447	G	27	Very low	26.5	Very low	52 Å²	52	143.9 Å²	143.9	54%	0.536	80%	0.795	S	S	.	*	P	Polyproline II helix	trans	-60.6	167.6	-172.7	0	0	0	0	0	115.9
448	P	31.2	Very low	26.2	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.7	127.8	-169.1	29.3	-32.8	0	0	0	111.4	E450	P448-E450 PolarHBondContact O-N 2.95Å
449	L	25.6	Very low	25.8	Very low	168 Å²	168	140 Å²	140	88%	0.88	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.3	117.1	172.4	-96.3	156.3	0	0	0	110.4	T451	L449-T451 PolarHBondContact O-N 3.48Å
450	E	25.4	Very low	25.7	Very low	174 Å²	174	137 Å²	137	81%	0.813	79%	0.794	S	S	*	*			trans	-52.3	115.9	170.8	-61.4	175.8	157.8	0	0	111	P448	P448-E450 PolarHBondContact O-N 2.95Å
451	T	26.1	Very low	25.7	Very low	135 Å²	135	138.5 Å²	138.5	83%	0.828	80%	0.797	S	S	*	*			trans	-114.3	116.3	160	43.6	0	0	0	0	109	L449	L449-T451 PolarHBondContact O-N 3.48Å
452	Q	25.5	Very low	25.9	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	80%	0.802	S	S	*	*			trans	-66.3	137.6	-175.4	-72.6	-84.8	-33.3	0	0	111.9
453	P	23.7	Very low	26	Very low	121 Å²	121	135.4 Å²	135.4	79%	0.786	80%	0.804	S	S	*	*			trans	-90.6	124.7	174.5	33.3	-28.5	0	0	0	110.8
454	S	24.9	Very low	25.9	Very low	123 Å²	123	135 Å²	135	86%	0.86	80%	0.803	S	S	*	*			trans	-150.5	104.1	162.9	65	0	0	0	0	110.5
455	G	26.7	Very low	25.9	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	81%	0.811	S	S	*	*			trans	-165.5	73.5	178.5	0	0	0	0	0	110	L457	G455-L457 PolarHBondContact O-N 3.37Å; G455-L457 VanDerWaalsContact O-N 3.17Å
456	K	26.9	Very low	25.9	Very low	214 Å²	214	138.6 Å²	138.6	93%	0.93	81%	0.811	S	S	*	*			trans	-52.7	113.5	171.5	-81.9	173.9	171.1	174.9	0	109.6
457	L	25.7	Very low	25.7	Very low	168 Å²	168	139.1 Å²	139.1	88%	0.88	81%	0.81	S	S	*	*			trans	-114.1	119.7	163.1	-107.9	145.7	0	0	0	108.5	G455	G455-L457 PolarHBondContact O-N 3.37Å; G455-L457 VanDerWaalsContact O-N 3.17Å
458	C	21.7	Very low	25.7	Very low	126 Å²	126	144.3 Å²	144.3	85%	0.851	83%	0.826	S	S	*	*			trans	-59.1	135.8	-174.1	-86	0	0	0	0	112.4
459	S	19.9	Very low	25.5	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	82%	0.824	S	S	*	*			trans	-78.1	129.1	161.1	-38.7	0	0	0	0	109.6
460	S	26.1	Very low	25.8	Very low	93 Å²	93	143.8 Å²	143.8	65%	0.65	82%	0.822	S	S	*	*			trans	-165.2	118.7	151.4	51.1	0	0	0	0	110.7
461	E	24.5	Very low	25.9	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	82%	0.82	S	S	*	*			trans	73.7	84	140.6	-59.7	170	-176.6	0	0	118.3
462	I	28	Very low	25.7	Very low	171 Å²	171	145.2 Å²	145.2	88%	0.877	82%	0.823	S	S	*	*			trans	-126.2	119.9	144.7	-61	-178.2	0	0	0	107.6
463	G	26.2	Very low	26	Very low	69 Å²	69	145 Å²	145	71%	0.711	82%	0.822	S	S	*	*			trans	-70.4	146.1	-172.3	0	0	0	0	0	113.8
464	N	25	Very low	25.9	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	82%	0.822	S	S	*	*			trans	-55.1	129.9	172.5	-60.7	-28.5	0	0	0	111.8
465	L	26.6	Very low	26.1	Very low	170 Å²	170	145.9 Å²	145.9	89%	0.89	82%	0.818	S	S	*	*			trans	-131.3	111.8	155.3	-104.6	146.5	0	0	0	107.1
466	E	26.5	Very low	26	Very low	181 Å²	181	151.2 Å²	151.2	85%	0.846	82%	0.823	S	S	*	*			trans	-65.5	127.8	-177.8	-66.4	162.3	154.4	0	0	110.1
467	T	27.3	Very low	26.1	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	82%	0.819	S	S	*	*			trans	-123.7	112.6	162.7	53	0	0	0	0	108.1	N469	T467-N469 PolarHBondContact O-N 3.01Å
468	D	26.2	Very low	26.1	Very low	161 Å²	161	151 Å²	151	86%	0.861	82%	0.818	S	S	*	*			trans	-63.3	113.5	-179.1	-76.2	-40.1	0	0	0	111.6
469	N	27.7	Very low	26.5	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	81%	0.812	S	S	*	*			trans	-90	117.2	164.1	-73.7	-39.8	0	0	0	108.4	T467	T467-N469 PolarHBondContact O-N 3.01Å
470	T	30.3	Very low	26.7	Very low	136 Å²	136	153.6 Å²	153.6	83%	0.834	81%	0.814	S	S	*	*			trans	-99.3	111.5	168.4	31.6	0	0	0	0	109.2
471	E	29	Very low	27	Very low	169 Å²	169	158 Å²	158	79%	0.79	83%	0.825	S	S	*	*			trans	-69.2	127.2	-175.9	-72.4	170.5	138.5	0	0	112.4
472	L	22.3	Very low	27.1	Very low	170 Å²	170	157.9 Å²	157.9	89%	0.89	82%	0.824	S	S	*	*			trans	-86.4	103.2	167.2	-78.7	165.8	0	0	0	109.3	I474	L472-I474 PolarHBondContact O-N 2.97Å
473	H	30.5	Very low	27	Very low	165 Å²	165	157.4 Å²	157.4	76%	0.764	82%	0.822	S	S	*	*			trans	-78.6	107.1	170.1	-91.8	-64.1	0	0	0	111.2
474	I	22.8	Very low	27.2	Very low	153 Å²	153	161.1 Å²	161.1	79%	0.785	82%	0.824	S	S	*	*			trans	-87.6	110.5	165.2	-64.5	169.5	0	0	0	107.3	L472	L472-I474 PolarHBondContact O-N 2.97Å
475	S	27.3	Very low	27.3	Very low	109 Å²	109	160.7 Å²	160.7	76%	0.762	82%	0.821	S	S	*	*			trans	-111.6	121.8	171	-61.9	0	0	0	0	109.4
476	Q	24.9	Very low	27.6	Very low	182 Å²	182	160 Å²	160	85%	0.85	82%	0.818	S	S	*	*			trans	-80.5	116.9	179.7	-63.6	177.4	-24.1	0	0	109.8
477	E	29	Very low	27.6	Very low	180 Å²	180	157.9 Å²	157.9	84%	0.841	81%	0.813	S	S	*	*			trans	-121.8	110.8	162.4	-79.1	-172.2	164.3	0	0	109.9
478	K	25.4	Very low	27.7	Very low	197 Å²	197	160.2 Å²	160.2	86%	0.857	82%	0.815	S	S	*	*			trans	-79.5	107.2	169.5	-76.2	175.5	173.5	175.5	0	108.3
479	N	31.3	Very low	28	Very low	137 Å²	137	159.6 Å²	159.6	73%	0.733	82%	0.817	S	S	*	*			trans	-120.3	106	162.1	-78.6	-24.6	0	0	0	109.1	E481	N479-E481 PolarHBondContact O-N 3.4Å
480	N	24.3	Very low	27.9	Very low	166 Å²	166	157.8 Å²	157.8	89%	0.888	81%	0.811	S	S	*	*			trans	-77	106.2	164.4	-68	-23.4	0	0	0	106.8
481	E	30.8	Very low	27.6	Very low	186 Å²	186	158 Å²	158	87%	0.869	81%	0.806	S	S	*	*			trans	-123.4	133.7	164.2	-78	-171.2	169.3	0	0	110.5	N479	N479-E481 PolarHBondContact O-N 3.4Å
482	E	27.7	Very low	27.6	Very low	183 Å²	183	155.2 Å²	155.2	86%	0.855	81%	0.805	S	S	*	*			trans	-82.4	134	-157.3	-159.4	169.3	-170.9	0	0	110.3	I484	E482-I484 PolarHBondContact O-N 3.46Å; E482-I484 VanDerWaalsContact O-N 3.16Å
483	L	24.7	Very low	27.6	Very low	161 Å²	161	155.5 Å²	155.5	84%	0.843	80%	0.802	S	S	*	*			trans	-59.6	112.1	173.2	-92.6	91.7	0	0	0	110.1
484	I	31.8	Very low	27.5	Very low	147 Å²	147	156 Å²	156	75%	0.754	80%	0.804	S	S	*	*			trans	-103	111.4	160.6	-61.2	179.2	0	0	0	107.8	E482	E482-I484 PolarHBondContact O-N 3.46Å; E482-I484 VanDerWaalsContact O-N 3.16Å
485	L	26.6	Very low	27.9	Very low	149 Å²	149	156.7 Å²	156.7	78%	0.78	81%	0.81	S	S	*	*			trans	-73.1	113.1	169.2	-75.3	146.2	0	0	0	108.6
486	D	32	Very low	27.9	Very low	156 Å²	156	158.8 Å²	158.8	83%	0.834	81%	0.812	S	S	*	*			trans	-110.5	109	160	-86.9	-29	0	0	0	109.1
487	D	27	Very low	27.9	Very low	136 Å²	136	157.5 Å²	157.5	73%	0.727	81%	0.811	S	S	*	*			trans	-62.2	158.4	164.6	-83.9	-40	0	0	0	111
488	H	30.8	Very low	28	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.796	81%	0.809	S	S	*	*			trans	98.7	92.5	171.2	-53.5	-61.4	0	0	0	116
489	T	31	Very low	28	Very low	149 Å²	149	152.7 Å²	152.7	91%	0.914	81%	0.81	S	S	*	*				-152.5	121.8	117.7	-53	0	0	0	0	109.5
490	V	27.3	Very low	28.1	Very low	110 Å²	110	155.2 Å²	155.2	67%	0.667	82%	0.817	S	S	*	*			trans	-107.5	127.4	-172.6	163.8	0	0	0	0	108.2
491	I	22.9	Very low	28.2	Very low	142 Å²	142	155.1 Å²	155.1	73%	0.728	82%	0.816	S	S	*	*			trans	57.4	117.8	147.1	-53.6	167	0	0	0	118.9
492	S	28.5	Very low	28.3	Very low	109 Å²	109	155.9 Å²	155.9	76%	0.762	82%	0.82	S	S	*	*			trans	-172.1	107.8	130.3	28.5	0	0	0	0	107.4
493	E	23.1	Very low	28.2	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.822	82%	0.817	S	S	*	*				51.1	99.1	92.9	-73.9	-170.9	178.4	0	0	112.7
494	Q	27.6	Very low	28.3	Very low	175 Å²	175	149.9 Å²	149.9	82%	0.818	82%	0.818	S	S	*	*			trans	159.8	116	137.1	-89.2	176.5	22	0	0	107.6
495	N	31.4	Very low	28.1	Very low	169 Å²	169	147.3 Å²	147.3	90%	0.904	82%	0.819	S	S	*	*			trans	-166.9	116.4	131	-89.2	-28.7	0	0	0	109.1
496	N	27	Very low	28.2	Very low	152 Å²	152	152 Å²	152	81%	0.813	83%	0.826	S	S	*	*			trans	-65.9	141.9	178.6	-69.5	-46.1	0	0	0	111.4
497	D	24.8	Very low	28.1	Very low	156 Å²	156	152.8 Å²	152.8	83%	0.834	83%	0.825	S	S	*	*			trans	7.5	114.5	138.1	-59.4	-32	0	0	0	117.7
498	S	32.3	Very low	28.1	Very low	114 Å²	114	157.4 Å²	157.4	80%	0.797	83%	0.833	S	S	*	*			trans	-152.3	103.5	139	58.8	0	0	0	0	109.4	E500	S498-E500 PolarHBondContact O-N 2.94Å
499	N	24.6	Very low	28.1	Very low	162 Å²	162	158.2 Å²	158.2	87%	0.866	84%	0.835	S	S	*	*			trans	-60.7	121.5	160.1	-67.5	-49	0	0	0	108.4
500	E	33.2	Very low	27.9	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	83%	0.827	S	S	*	*			trans	-142.5	128.2	152.7	-101.9	176.5	-166.7	0	0	108.7	S498 E502	S498-E500 PolarHBondContact O-N 2.94Å; E500-E502 PolarHBondContact O-N 3.11Å
501	D	27.5	Very low	28	Very low	164 Å²	164	158.7 Å²	158.7	88%	0.877	84%	0.836	S	S	*	*			trans	-65.8	114.2	-173.1	-62.5	-63.5	0	0	0	111.7
502	E	31.7	Very low	28.3	Very low	202 Å²	202	157.4 Å²	157.4	94%	0.944	84%	0.837	S	S	*	*			trans	-109	95.2	157	-77.8	-150.7	165	0	0	110	E500	E500-E502 PolarHBondContact O-N 3.11Å
503	A	26.4	Very low	28.2	Very low	97 Å²	97	161.7 Å²	161.7	80%	0.802	84%	0.842	S	S	*	*			trans	-100.4	115	163.6	0	0	0	0	0	108.7
504	S	26.6	Very low	28.4	Very low	121 Å²	121	160.9 Å²	160.9	85%	0.846	84%	0.841	S	S	*	*			trans	176.6	140.7	139.8	-171.7	0	0	0	0	111.4
505	A	27	Very low	28.3	Very low	94 Å²	94	160.2 Å²	160.2	78%	0.777	84%	0.838	S	S	*	*			trans	69.1	80.5	159.1	0	0	0	0	0	118
506	R	29.4	Very low	28	Very low	246 Å²	246	157.8 Å²	157.8	93%	0.928	83%	0.834	S	S	*	*			trans	-133.1	127.6	146.6	-128.7	168.7	-178.9	147.9	-1	110.7
507	E	30.5	Very low	28	Very low	173 Å²	173	156.1 Å²	156.1	81%	0.808	83%	0.83	S	S	*	*			trans	-61.1	139.3	-162.4	-68	159	137.8	0	0	113.9	F509	E507-F509 PolarHBondContact O-N 3.39Å
508	Y	27.3	Very low	28	Very low	233 Å²	233	153.5 Å²	153.5	91%	0.914	82%	0.824	S	S	*	*			trans	-67.6	88.8	172.8	-86.9	-102.9	0	0	0	110.8
509	F	30.3	Very low	27.7	Very low	190 Å²	190	152.4 Å²	152.4	83%	0.833	81%	0.812	S	S	*	*			trans	-99.2	89.4	151.9	-86.1	-81.3	0	0	0	108.5	E507 K511	E507-F509 PolarHBondContact O-N 3.39Å; F509-K511 PolarHBondContact O-N 3.26Å
510	G	27.5	Very low	27.8	Very low	72 Å²	72	151.6 Å²	151.6	74%	0.742	81%	0.808	S	S	*	*			trans	-63.1	101.6	173.5	0	0	0	0	0	110.4
511	K	29.2	Very low	27.5	Very low	196 Å²	196	150.3 Å²	150.3	85%	0.852	80%	0.802	S	S	*	*			trans	-64	128.1	163.4	-78.3	-177.7	175.8	179.7	0	108.4	F509 K513	F509-K511 PolarHBondContact O-N 3.26Å; K511-K513 PolarHBondContact O-N 2.97Å
512	P	27.9	Very low	27.4	Very low	116 Å²	116	151.3 Å²	151.3	75%	0.753	80%	0.801	S	S	*	*			trans	-61.8	125.3	176.7	-15.7	27.7	0	0	0	109.6	I514	P512-I514 PolarHBondContact O-N 3.32Å
513	K	27.6	Very low	27	Very low	198 Å²	198	149.7 Å²	149.7	86%	0.861	80%	0.795	S	S	*	*			trans	-68.2	101.2	164.4	-83	-179.4	174.7	178.5	0	107.3	K511 E515	K511-K513 PolarHBondContact O-N 2.97Å; K513-E515 PolarHBondContact O-N 3.05Å; K513-E515 VanDerWaalsContact O-N 3.12Å
514	I	25.8	Very low	27	Very low	159 Å²	159	150.4 Å²	150.4	82%	0.815	79%	0.792	S	S	*	*			trans	-75.5	97.7	165.1	-59.2	174.3	0	0	0	105.4	P512 S516	P512-I514 PolarHBondContact O-N 3.32Å; I514-S516 PolarHBondContact O-N 3.47Å
515	E	26.3	Very low	26.9	Very low	162 Å²	162	154.6 Å²	154.6	76%	0.757	80%	0.795	S	S	*	*			trans	-60.9	119.7	166.7	-72.2	-176.7	166.5	0	0	107.7	K513 V517	K513-E515 PolarHBondContact O-N 3.05Å; K513-E515 VanDerWaalsContact O-N 3.12Å; E515-V517 VanDerWaalsContact C-N 3.3Å; E515-V517 PolarHBondContact O-N 2.81Å
516	S	25.4	Very low	26.8	Very low	117 Å²	117	156 Å²	156	82%	0.818	79%	0.794	S	S	*	*			trans	-65.2	89.8	176	54.2	0	0	0	0	109.1	I514 S518	I514-S516 PolarHBondContact O-N 3.47Å; S516-S518 PolarHBondContact O-N 3.39Å
517	V	25.6	Very low	26.6	Very low	118 Å²	118	153.6 Å²	153.6	72%	0.715	79%	0.79	S	S	*	*			trans	-74.4	107.6	165.7	-179.7	0	0	0	0	106.4	E515 V519	E515-V517 VanDerWaalsContact C-N 3.3Å; E515-V517 PolarHBondContact O-N 2.81Å; V517-V519 VanDerWaalsContact C-N 3.3Å; V517-V519 HydrophobicContact CG1-CG2 4.11Å; V517-V519 PolarHBondContact O-N 2.98Å
518	S	26.6	Very low	26.3	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	79%	0.788	S	S	*	*			trans	-66.2	91	171	-178.3	0	0	0	0	108.4	S516 N520	S516-S518 PolarHBondContact O-N 3.39Å; S518-N520 PolarHBondContact O-N 2.96Å; S518-N520 VanDerWaalsContact O-N 3.11Å
519	V	25.1	Very low	26.2	Very low	91 Å²	91	146.9 Å²	146.9	55%	0.552	78%	0.78	S	S	*	*			trans	-76	98.8	174.7	-179.7	0	0	0	0	107.9	V517 E521	V517-V519 VanDerWaalsContact C-N 3.3Å; V517-V519 HydrophobicContact CG1-CG2 4.11Å; V517-V519 PolarHBondContact O-N 2.98Å; V519-E521 HydrophobicContact CG1-CB 4.01Å; V519-E521 HydrophobicContact CG1-CG 3.47Å; V519-E521 VanDerWaalsContact CG1-CG 3.47Å; V519-E521 WeakPolarHBondContact CG1-OE1 3.48Å; V519-E521 PolarHBondContact O-N 3.28Å
520	N	26.5	Very low	26.1	Very low	145 Å²	145	146.6 Å²	146.6	78%	0.775	78%	0.781	S	S	*	*			trans	-70	77.1	163.3	-73.8	-15.3	0	0	0	108.3	S518 E522	S518-N520 PolarHBondContact O-N 2.96Å; S518-N520 VanDerWaalsContact O-N 3.11Å; N520-E522 VanDerWaalsContact C-N 3.28Å; N520-E522 PolarHBondContact O-N 2.89Å; N520-E522 VanDerWaalsContact O-N 3.15Å
521	E	26.6	Very low	26.1	Very low	162 Å²	162	149.6 Å²	149.6	76%	0.757	78%	0.78	S	S	*	*			trans	-83.9	77.8	169.5	-97.9	169.4	-152	0	0	109.1	V519 M523	V519-E521 HydrophobicContact CG1-CB 4.01Å; V519-E521 HydrophobicContact CG1-CG 3.47Å; V519-E521 VanDerWaalsContact CG1-CG 3.47Å; V519-E521 WeakPolarHBondContact CG1-OE1 3.48Å; V519-E521 PolarHBondContact O-N 3.28Å; E521-M523 PolarHBondContact O-N 3.01Å
522	E	26.3	Very low	26	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	78%	0.778	S	S	*	*			trans	-68.8	104.6	153	-76.2	-174.9	163.9	0	0	107	N520 P524	N520-E522 VanDerWaalsContact C-N 3.28Å; N520-E522 PolarHBondContact O-N 2.89Å; N520-E522 VanDerWaalsContact O-N 3.15Å; E522-P524 WeakPolarHBondContact O-CD 3.43Å
523	M	23.7	Very low	25.9	Very low	167 Å²	167	145.6 Å²	145.6	82%	0.823	77%	0.768	S	S	*	*			trans	-57	123.6	172.3	-84.6	-165.3	-174.3	0	0	109.4	E521 F525	E521-M523 PolarHBondContact O-N 3.01Å; M523-F525 PolarHBondContact O-N 2.74Å
524	P	25.8	Very low	25.9	Very low	113 Å²	113	143 Å²	143	73%	0.734	76%	0.762	S	S	*	*			trans	-66.7	125.4	-179.5	24.7	-31.1	0	0	0	110.1	E522 V526	E522-P524 WeakPolarHBondContact O-CD 3.43Å; P524-V526 PolarHBondContact O-N 3.36Å
525	F	25	Very low	25.9	Very low	209 Å²	209	144.9 Å²	144.9	92%	0.917	76%	0.764	S	S	*	*			trans	-56.2	98.5	167	-84	-94.1	0	0	0	109.5	M523 K527	M523-F525 PolarHBondContact O-N 2.74Å; F525-K527 PolarHBondContact O-N 3.27Å
526	V	24.8	Very low	25.8	Very low	122 Å²	122	142.9 Å²	142.9	74%	0.739	76%	0.759	S	S	*	*			trans	-69.5	104.3	165.9	178.2	0	0	0	0	106.6	P524 V528	P524-V526 PolarHBondContact O-N 3.36Å; V526-V528 VanDerWaalsContact C-N 3.35Å; V526-V528 PolarHBondContact O-N 3.49Å
527	K	24.5	Very low	26	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	76%	0.762	S	S	*	*			trans	-60.1	98.9	166.8	-77	-177.3	175.3	-179.2	0	107.8	F525 N529	F525-K527 PolarHBondContact O-N 3.27Å; K527-N529 PolarHBondContact O-N 3.22Å; K527-N529 VanDerWaalsContact O-N 3.12Å
528	V	25.1	Very low	26.1	Very low	126 Å²	126	148.5 Å²	148.5	76%	0.764	77%	0.769	S	S	*	*			trans	-65.2	112.7	168.7	-179.4	0	0	0	0	106.6	V526 E530	V526-V528 VanDerWaalsContact C-N 3.35Å; V526-V528 PolarHBondContact O-N 3.49Å; V528-E530 PolarHBondContact O-N 3.49Å
529	N	24.7	Very low	26	Very low	139 Å²	139	151.4 Å²	151.4	74%	0.743	78%	0.776	S	S	*	*			trans	-64.9	120.4	177.5	-140.6	-1.7	0	0	0	107.6	K527 N531	K527-N529 PolarHBondContact O-N 3.22Å; K527-N529 VanDerWaalsContact O-N 3.12Å; N529-N531 PolarHBondContact O-N 3.03Å
530	E	27.7	Very low	26.2	Very low	184 Å²	184	153.9 Å²	153.9	86%	0.86	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	20.8	-170.1	-68	-179.9	152.9	0	0	115.6	V528	V528-E530 PolarHBondContact O-N 3.49Å
531	N	28.3	Very low	26.2	Very low	134 Å²	134	153.6 Å²	153.6	72%	0.717	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	7.2	-169.1	-71.9	-10.4	0	0	0	116.4	N529 S533	N529-N531 PolarHBondContact O-N 3.03Å; N531-S533 PolarHBondContact O-N 3.39Å
532	N	26.6	Very low	26.3	Very low	152 Å²	152	155 Å²	155	81%	0.813	79%	0.791	S	S	*	*			trans	-101	64.2	167.9	-91.4	19.9	0	0	0	111.5	I534	N532-I534 PolarHBondContact O-N 2.98Å; N532-I534 VanDerWaalsContact O-N 3.13Å
533	S	27	Very low	26.3	Very low	77 Å²	77	155.6 Å²	155.6	54%	0.538	79%	0.793	S	S	.	*			trans	-72	87.7	165.8	167.1	0	0	0	0	109.8	N531 N536	N531-S533 PolarHBondContact O-N 3.39Å; S533-N536 PolarHBondContact OG-ND2 3.38Å; S533-N536 VanDerWaalsContact OG-ND2 3.09Å
534	I	26.9	Very low	26.3	Very low	142 Å²	142	151 Å²	151	73%	0.728	79%	0.789	S	S	*	*			trans	-103.8	-0.6	167.2	-63.8	-179.3	0	0	0	112.1	N532	N532-I534 PolarHBondContact O-N 2.98Å; N532-I534 VanDerWaalsContact O-N 3.13Å
535	F	24.9	Very low	26.3	Very low	199 Å²	199	153.5 Å²	153.5	87%	0.873	80%	0.796	S	S	*	*			trans	-127.3	76.7	172.3	-85.6	-88	0	0	0	110.8
536	N	25.6	Very low	26.3	Very low	120 Å²	120	150.1 Å²	150.1	64%	0.642	79%	0.788	S	S	*	*			trans	-145.6	62.4	168.4	-88.2	-37	0	0	0	109.4	S533	S533-N536 PolarHBondContact OG-ND2 3.38Å; S533-N536 VanDerWaalsContact OG-ND2 3.09Å
537	H	28.6	Very low	26.5	Very low	191 Å²	191	151.9 Å²	151.9	88%	0.884	79%	0.788	S	S	*	*			trans	-157.1	95.5	156.7	-84.2	-50.8	0	0	0	107.3
538	L	27.6	Very low	26.5	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	78%	0.783	S	S	*	*			trans	167	64	145.9	-84.8	163.2	0	0	0	107.1
539	N	24.9	Very low	26.5	Very low	161 Å²	161	147.5 Å²	147.5	86%	0.861	78%	0.777	S	S	*	*			trans	-89	99	145.7	-79.9	-22.4	0	0	0	104.3
540	D	29.4	Very low	26.7	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	78%	0.78	S	S	*	*			trans	-135	120.5	147	-89.9	-38.7	0	0	0	105.9
541	D	26	Very low	26.6	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	78%	0.777	S	S	*	*			trans	-41.8	141.3	174.4	-54.9	-62.4	0	0	0	110.7
542	H	29.9	Very low	26.6	Very low	193 Å²	193	151.5 Å²	151.5	89%	0.894	79%	0.786	S	S	*	*				-161.9	116.8	128.6	-99.3	36.1	0	0	0	108.9
543	H	25.8	Very low	26.8	Very low	196 Å²	196	149.1 Å²	149.1	91%	0.907	78%	0.781	S	S	*	*			trans	-50.5	159.4	173.5	-71.4	-60.4	0	0	0	114.2
544	G	24.1	Very low	26.9	Very low	72 Å²	72	152.5 Å²	152.5	74%	0.742	79%	0.793	S	S	*	*			trans	119.1	65.2	141.5	0	0	0	0	0	117.2
545	N	24.1	Very low	26.9	Very low	165 Å²	165	154 Å²	154	88%	0.882	80%	0.801	S	S	*	*			trans	10.3	112.1	133.3	-151.6	16	0	0	0	117.9
546	N	26.2	Very low	26.9	Very low	137 Å²	137	151 Å²	151	73%	0.733	79%	0.794	S	S	*	*			trans	-162.9	133.6	140.2	-132.3	-17	0	0	0	114
547	Q	27.5	Very low	27.2	Very low	160 Å²	160	150.5 Å²	150.5	75%	0.748	80%	0.799	S	S	*	*			trans	62.9	84.3	160	-55.4	-54.6	-44	0	0	118.7
548	N	25.3	Very low	27.1	Very low	140 Å²	140	150.7 Å²	150.7	75%	0.749	80%	0.798	S	S	*	*			trans	-84.6	105.5	156.2	-172.8	12.8	0	0	0	110.4
549	S	26.2	Very low	27.2	Very low	91 Å²	91	148.7 Å²	148.7	64%	0.636	79%	0.787	S	S	*	*			trans	-155.3	89.4	149.5	65.7	0	0	0	0	108.6
550	N	27.5	Very low	27.3	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	79%	0.787	S	S	*	*	S	Bend	trans	167.9	0.2	150.8	-84.1	-14.8	0	0	0	113.5	R552	N550-R552 PolarHBondContact O-N 3.05Å
551	N	27	Very low	27.5	Very low	148 Å²	148	149.2 Å²	149.2	79%	0.791	79%	0.788	S	S	*	*			trans	-82.9	67.7	175.7	-72.3	-12.8	0	0	0	111.5
552	R	27.6	Very low	27.9	Very low	241 Å²	241	146.9 Å²	146.9	91%	0.909	78%	0.779	S	S	*	*			trans	-106.6	15.5	178.6	-127.1	-178	165.9	102.1	2.6	114.6	N550	N550-R552 PolarHBondContact O-N 3.05Å
553	S	30.7	Very low	27.9	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	77%	0.769	S	S	*	*			trans	-113.5	6	-176.4	-69.2	0	0	0	0	117	L555	S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 PolarHBondContact O-N 3.07Å; S553-L555 VanDerWaalsContact O-N 3.16Å
554	N	29	Very low	28.2	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	21.5	-174.5	-89.1	3.3	0	0	0	116.5
555	L	26.7	Very low	28.8	Very low	173 Å²	173	138.1 Å²	138.1	91%	0.906	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	9.9	174.3	-138.8	79.7	0	0	0	114.9	S553	S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 PolarHBondContact O-N 3.07Å; S553-L555 VanDerWaalsContact O-N 3.16Å
556	L	25.8	Very low	29.3	Very low	136 Å²	136	135.3 Å²	135.3	71%	0.712	74%	0.735	S	S	*	*			trans	-104.9	24.7	177.8	-90.3	172.2	0	0	0	114.4	F558 L559	L556-F558 VanDerWaalsContact C-N 3.32Å; L556-F558 PolarHBondContact O-N 3.44Å; L556-L559 HydrophobicContact CD2-CD1 4.03Å
557	C	32.2	Very low	30.1	Very low	111 Å²	111	132.3 Å²	132.3	75%	0.75	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	14.9	179.7	-70.4	0	0	0	0	115.6
558	F	26.3	Very low	30.6	Very low	195 Å²	195	131.2 Å²	131.2	86%	0.855	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	9.6	179.8	-93.1	-77	0	0	0	115.9	L556	L556-F558 VanDerWaalsContact C-N 3.32Å; L556-F558 PolarHBondContact O-N 3.44Å
559	L	28.9	Very low	31.5	Very low	121 Å²	121	129.8 Å²	129.8	63%	0.634	71%	0.711	S	S	*	*			trans	-105.2	9.8	-174.8	-75.7	176	0	0	0	117.2	L556	L556-L559 HydrophobicContact CD2-CD1 4.03Å
560	N	27.9	Very low	32.1	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	72%	0.718	S	S	*	*			trans	-111.3	51.2	179.4	-75.7	0.5	0	0	0	114.1
561	I	32.2	Very low	32.7	Very low	154 Å²	154	130.7 Å²	130.7	79%	0.79	71%	0.708	S	S	*	*			trans	-118.6	-13.8	170.3	-63.9	179.3	0	0	0	113.1	G563	I561-G563 PolarHBondContact O-N 3Å
562	T	35.2	Very low	33.3	Very low	89 Å²	89	130.3 Å²	130.3	55%	0.546	71%	0.706	S	S	.	*	S	Bend	trans	-77.4	111.8	165.7	51.4	0	0	0	0	106.9	I354 N564	I354-T562 HydrophobicContact CD1-CG2 4.15Å; T562-N564 VanDerWaalsContact C-N 3.35Å; T562-N564 PolarHBondContact O-N 2.82Å
563	G	30.6	Very low	33.8	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	70%	0.704	S	S	*	*			trans	-45.7	107.2	168	0	0	0	0	0	107.4	I561 C565	I561-G563 PolarHBondContact O-N 3Å; G563-C565 PolarHBondContact O-N 3.17Å
564	N	31.4	Very low	34	Very low	125 Å²	125	128 Å²	128	67%	0.668	70%	0.704	S	S	*	*			trans	-67.6	90.2	171.2	-141.9	25.6	0	0	0	103.1	T562 N566	T562-N564 VanDerWaalsContact C-N 3.35Å; T562-N564 PolarHBondContact O-N 2.82Å; N564-N566 VanDerWaalsContact ND2-CG 3.32Å; N564-N566 PolarHBondContact ND2-ND2 2.91Å; N564-N566 VanDerWaalsContact ND2-ND2 3.13Å; N564-N566 PolarHBondContact ND2-OD1 2.71Å; N564-N566 PolarHBondContact O-N 2.84Å; N564-N566 PolarHBondContact OD1-OD1 2.83Å
565	C	36.5	Very low	34.3	Very low	87 Å²	87	130.5 Å²	130.5	59%	0.588	71%	0.711	S	S	*	*			trans	-68.9	68.7	156.5	-63.2	0	0	0	0	105.2	G563 D567	G563-C565 PolarHBondContact O-N 3.17Å; C565-D567 PolarHBondContact O-N 3.27Å
566	N	35.8	Very low	34.6	Very low	105 Å²	105	127.5 Å²	127.5	56%	0.561	70%	0.699	S	S	*	*			trans	-64	89.9	147.4	-66.7	-15.2	0	0	0	102.1	N564 D568	N564-N566 VanDerWaalsContact ND2-CG 3.32Å; N564-N566 PolarHBondContact ND2-ND2 2.91Å; N564-N566 VanDerWaalsContact ND2-ND2 3.13Å; N564-N566 PolarHBondContact ND2-OD1 2.71Å; N564-N566 PolarHBondContact O-N 2.84Å; N564-N566 PolarHBondContact OD1-OD1 2.83Å; N566-D568 PolarHBondContact O-N 3.21Å
567	D	42.4	Very low	35	Very low	74 Å²	74	126.1 Å²	126.1	40%	0.396	70%	0.701	S	S	.	*			trans	-57.6	108.5	150.2	-68.9	-35.7	0	0	0	102.2	R318 R343 C565 D569	R318-D567 IonicContact NH1-OD1 2.92Å; R343-D567 IonicContact NH1-OD2 3.5Å; C565-D567 PolarHBondContact O-N 3.27Å; D567-D569 VanDerWaalsContact C-N 3.3Å; D567-D569 PolarHBondContact O-N 2.77Å
568	D	38.6	Very low	35	Very low	138 Å²	138	128.1 Å²	128.1	74%	0.738	70%	0.704	S	S	*	*			trans	-52.4	109.6	162.4	-70.6	-49.9	0	0	0	104.1	N566 D570	N566-D568 PolarHBondContact O-N 3.21Å; D568-D570 PolarHBondContact O-N 2.94Å
569	D	42.7	Very low	35.4	Very low	110 Å²	110	126.3 Å²	126.3	59%	0.588	70%	0.699	S	S	*	*			trans	-60.4	94.4	174.2	-66.6	-52.5	0	0	0	105.9	D567 D571	D567-D569 VanDerWaalsContact C-N 3.3Å; D567-D569 PolarHBondContact O-N 2.77Å; D569-D571 HydrophobicContact CB-CB 4.4Å; D569-D571 PolarHBondContact O-N 2.78Å
570	D	40.2	Very low	35.5	Very low	150 Å²	150	128.9 Å²	128.9	80%	0.802	71%	0.707	S	S	*	*			trans	-67.5	48.2	163.3	-71.7	-39.7	0	0	0	109.3	D568 D572	D568-D570 PolarHBondContact O-N 2.94Å; D570-D572 VanDerWaalsContact C-N 3.26Å
571	D	39.4	Very low	35.6	Very low	111 Å²	111	129.1 Å²	129.1	59%	0.594	71%	0.707	S	S	*	*			trans	-88.5	11.8	176.4	-86.4	-22.2	0	0	0	112.3	D569	D569-D571 HydrophobicContact CB-CB 4.4Å; D569-D571 PolarHBondContact O-N 2.78Å
572	D	38.4	Very low	35.6	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	70%	0.703	S	S	*	*			trans	-99.2	61.7	167.3	-68.6	-30.1	0	0	0	110.2	D570 D574	D570-D572 VanDerWaalsContact C-N 3.26Å; D572-D574 PolarHBondContact O-N 3.19Å
573	D	39.3	Very low	35.4	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	72%	0.717	S	S	*	*			trans	-71.2	62.6	151.8	-89.7	-25.5	0	0	0	107.9	E575	D573-E575 PolarHBondContact O-N 3.07Å
574	D	35.5	Very low	35.6	Very low	131 Å²	131	133.2 Å²	133.2	70%	0.701	72%	0.723	S	S	*	*			trans	-63.8	117.8	159.2	-93.6	-28.4	0	0	0	106.5	D572 V576	D572-D574 PolarHBondContact O-N 3.19Å; D574-V576 PolarHBondContact O-N 2.93Å
575	E	33.5	Very low	35.8	Very low	199 Å²	199	137 Å²	137	93%	0.93	73%	0.73	S	S	*	*			trans	-53	85.3	169.5	-75	-173.4	150.4	0	0	110.3	D573 S577	D573-E575 PolarHBondContact O-N 3.07Å; E575-S577 PolarHBondContact O-N 2.87Å
576	V	35	Very low	35.6	Very low	110 Å²	110	141.6 Å²	141.6	67%	0.667	75%	0.745	S	S	*	*			trans	-81.4	99.3	163	-175	0	0	0	0	106.3	D574 D578	D574-V576 PolarHBondContact O-N 2.93Å; V576-D578 VanDerWaalsContact C-N 3.32Å; V576-D578 PolarHBondContact O-N 3.36Å
577	S	33.9	Very low	35.5	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	75%	0.754	S	S	*	*			trans	-61.3	95.2	166.8	59	0	0	0	0	108.5	E575 Q579	E575-S577 PolarHBondContact O-N 2.87Å; S577-Q579 PolarHBondContact O-N 3.07Å
578	D	32.2	Very low	34.9	Very low	153 Å²	153	146 Å²	146	82%	0.818	77%	0.771	S	S	*	*			trans	-69	100.7	175.7	-83.1	-22.5	0	0	0	110.3	V576	V576-D578 VanDerWaalsContact C-N 3.32Å; V576-D578 PolarHBondContact O-N 3.36Å
579	Q	32.9	Very low	34.5	Very low	157 Å²	157	146.1 Å²	146.1	73%	0.734	77%	0.77	S	S	*	*			trans	-78.5	112	162.9	-166.3	77.4	41.7	0	0	108.2	S577 I581	S577-Q579 PolarHBondContact O-N 3.07Å; Q579-I581 PolarHBondContact O-N 3.16Å
580	E	31	Very low	33.9	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	78%	0.782	S	S	*	*			trans	-3.8	97.6	160.5	-65.6	173.6	140.4	0	0	117.1
581	I	31.9	Very low	33.4	Very low	166 Å²	166	149.1 Å²	149.1	85%	0.851	78%	0.78	S	S	*	*			trans	-149.9	120.5	153.2	-56.8	-177.1	0	0	0	109.5	Q579	Q579-I581 PolarHBondContact O-N 3.16Å
582	A	31.6	Very low	32.9	Very low	85 Å²	85	150.8 Å²	150.8	70%	0.702	79%	0.788	S	S	*	*			trans	143	73.3	141	0	0	0	0	0	112.9
583	D	30.1	Very low	32.3	Very low	158 Å²	158	151 Å²	151	85%	0.845	79%	0.789	S	S	*	*			trans	-76.2	152.3	138.9	-73.7	-36.5	0	0	0	108
584	D	35.3	Very low	31.6	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	79%	0.788	S	S	*	*			trans	86.2	76.3	174.7	-60	-19.4	0	0	0	118.4
585	Y	34.9	Very low	31.2	Very low	205 Å²	205	150 Å²	150	80%	0.804	79%	0.788	S	S	*	*			trans	-130.2	85	145.5	-95.4	-84.4	0	0	0	109.8
586	M	32.6	Very low	30.7	Very low	183 Å²	183	148 Å²	148	90%	0.901	78%	0.781	S	S	*	*			trans	-122.5	74.8	163	-80.1	-74.4	-81.2	0	0	107.4	S588	M586-S588 PolarHBondContact O-N 2.89Å
587	E	33.5	Very low	30.3	Very low	164 Å²	164	152 Å²	152	77%	0.766	79%	0.79	S	S	*	*			trans	-78.3	100	166.9	-85	-175.6	165	0	0	108.9	I589	E587-I589 PolarHBondContact O-N 3.5Å; E587-I589 VanDerWaalsContact O-N 3.14Å
588	S	31	Very low	29.8	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	79%	0.793	S	S	*	*			trans	-63.2	102.3	165.4	47.7	0	0	0	0	109.7	M586 E590	M586-S588 PolarHBondContact O-N 2.89Å; S588-E590 PolarHBondContact O-N 3.17Å
589	I	30.2	Very low	29.4	Very low	141 Å²	141	157.4 Å²	157.4	72%	0.723	80%	0.797	S	S	*	*			trans	-74.9	102.9	169.8	-60.3	176.7	0	0	0	107.8	E587 I591	E587-I589 PolarHBondContact O-N 3.5Å; E587-I589 VanDerWaalsContact O-N 3.14Å; I589-I591 HydrophobicContact CG2-CD1 4.31Å; I589-I591 HydrophobicContact CG2-CG1 3.69Å; I589-I591 PolarHBondContact O-N 3.38Å
590	E	29.1	Very low	28.9	Very low	176 Å²	176	157.7 Å²	157.7	82%	0.822	80%	0.804	S	S	*	*			trans	-69.1	104.4	165.1	-72.7	-179.4	156.9	0	0	108.5	S588	S588-E590 PolarHBondContact O-N 3.17Å
591	I	29.3	Very low	28.7	Very low	148 Å²	148	158.1 Å²	158.1	76%	0.759	81%	0.808	S	S	*	*			trans	-93.5	108.6	171.5	-59.4	-177.1	0	0	0	107.8	I589	I589-I591 HydrophobicContact CG2-CD1 4.31Å; I589-I591 HydrophobicContact CG2-CG1 3.69Å; I589-I591 PolarHBondContact O-N 3.38Å
592	D	29.4	Very low	28.4	Very low	145 Å²	145	159.8 Å²	159.8	78%	0.775	81%	0.809	S	S	*	*			trans	-56.7	135.1	175.7	-82.9	-35.8	0	0	0	112.8	L594	D592-L594 PolarHBondContact O-N 3.2Å
593	D	26.1	Very low	27.9	Very low	145 Å²	145	161.9 Å²	161.9	78%	0.775	81%	0.813	S	S	*	*			trans	-68	82.7	-171.7	-147.6	5.2	0	0	0	111.8	T595	D593-T595 VanDerWaalsContact C-N 3.28Å; D593-T595 PolarHBondContact O-N 3.11Å
594	L	25.6	Very low	27.7	Very low	161 Å²	161	160 Å²	160	84%	0.843	81%	0.812	S	S	*	*			trans	-73.8	83.2	172.7	-79.9	171.8	0	0	0	110.8	D592 I596	D592-L594 PolarHBondContact O-N 3.2Å; L594-I596 PolarHBondContact O-N 2.66Å
595	T	25.3	Very low	27.2	Very low	114 Å²	114	161.3 Å²	161.3	70%	0.699	81%	0.811	S	S	*	*			trans	-59.3	89.3	169.6	37.3	0	0	0	0	112	D593 K597	D593-T595 VanDerWaalsContact C-N 3.28Å; D593-T595 PolarHBondContact O-N 3.11Å; T595-K597 PolarHBondContact O-N 3.11Å; T595-K597 VanDerWaalsContact O-N 3.13Å
596	I	24.5	Very low	26.8	Very low	155 Å²	155	158.5 Å²	158.5	80%	0.795	81%	0.81	S	S	*	*			trans	-74.8	103.8	169.3	-62.7	177.5	0	0	0	108.8	L594 T598	L594-I596 PolarHBondContact O-N 2.66Å; I596-T598 PolarHBondContact O-N 3.2Å
597	K	25.1	Very low	26.4	Very low	195 Å²	195	157.2 Å²	157.2	85%	0.848	81%	0.806	S	S	*	*			trans	-56.5	102.1	172.9	-71.5	177.2	177	173.4	0	111.2	T595 R599	T595-K597 PolarHBondContact O-N 3.11Å; T595-K597 VanDerWaalsContact O-N 3.13Å; K597-R599 PolarHBondContact O-N 3.16Å
598	T	24.1	Very low	26	Very low	131 Å²	131	156.7 Å²	156.7	80%	0.804	81%	0.807	S	S	*	*			trans	-65.1	113.4	166	44.4	0	0	0	0	110	I596 N600	I596-T598 PolarHBondContact O-N 3.2Å; T598-N600 PolarHBondContact O-N 2.92Å
599	R	23.3	Very low	25.7	Very low	243 Å²	243	157 Å²	157	92%	0.917	80%	0.804	S	S	*	*			trans	-65.2	111.8	172.4	-81.5	178.3	170.2	144.5	-2.3	109.8	K597 M601	K597-R599 PolarHBondContact O-N 3.16Å; R599-M601 PolarHBondContact O-N 3.47Å; R599-M601 VanDerWaalsContact O-N 3.07Å
600	N	23.2	Very low	25.3	Very low	162 Å²	162	156.6 Å²	156.6	87%	0.866	81%	0.809	S	S	*	*			trans	-50.7	105	165.4	-95.5	-38.3	0	0	0	111.1	T598	T598-N600 PolarHBondContact O-N 2.92Å
601	M	25.6	Very low	25.2	Very low	185 Å²	185	154.1 Å²	154.1	91%	0.911	81%	0.805	S	S	*	*			trans	-88.3	113.2	161.1	-75	-143.7	136.1	0	0	109	R599	R599-M601 PolarHBondContact O-N 3.47Å; R599-M601 VanDerWaalsContact O-N 3.07Å
602	K	26	Very low	25.1	Very low	201 Å²	201	154.3 Å²	154.3	87%	0.874	81%	0.808	S	S	*	*			trans	-59.3	134.6	-177.6	-77.7	175.4	174.4	175.7	0	111.4
603	T	22.3	Very low	25.1	Very low	129 Å²	129	154.4 Å²	154.4	79%	0.791	81%	0.808	S	S	*	*			trans	-62.6	121.5	170.3	40.7	0	0	0	0	111.6
604	S	25.3	Very low	25	Very low	118 Å²	118	150.6 Å²	150.6	83%	0.825	80%	0.803	S	S	*	*			trans	-92.8	99.2	160.9	-75.4	0	0	0	0	108.8	N606	S604-N606 PolarHBondContact O-N 2.92Å
605	K	25.3	Very low	25.1	Very low	179 Å²	179	149.3 Å²	149.3	78%	0.778	80%	0.797	S	S	*	*			trans	-61.8	107.7	163.9	-72	175.5	174.4	178.2	0	108.7
606	N	26.8	Very low	25.1	Very low	147 Å²	147	151.8 Å²	151.8	79%	0.786	80%	0.8	S	S	*	*			trans	-106.1	99.4	156.1	-87.7	-13.6	0	0	0	107.9	S604 I608	S604-N606 PolarHBondContact O-N 2.92Å; N606-I608 PolarHBondContact O-N 3.48Å
607	L	23.4	Very low	25.3	Very low	155 Å²	155	151.5 Å²	151.5	81%	0.812	80%	0.8	S	S	*	*			trans	-57.5	114.4	156.7	-91	81.1	0	0	0	107.2
608	I	25	Very low	25.3	Very low	153 Å²	153	150 Å²	150	79%	0.785	80%	0.801	S	S	*	*			trans	-116.6	121	155.1	-63.6	-179.8	0	0	0	106.6	N606	N606-I608 PolarHBondContact O-N 3.48Å
609	T	24.6	Very low	25.4	Very low	113 Å²	113	151 Å²	151	69%	0.693	80%	0.797	S	S	*	*			trans	-58.8	138.7	-174.7	39.9	0	0	0	0	113.1	V611	T609-V611 PolarHBondContact O-N 3.44Å
610	T	22.8	Very low	25.4	Very low	134 Å²	134	145 Å²	145	82%	0.822	79%	0.788	S	S	*	*			trans	-38.9	120	159	49.5	0	0	0	0	112.1
611	V	26.9	Very low	25.5	Very low	123 Å²	123	143.4 Å²	143.4	75%	0.745	78%	0.778	S	S	*	*			trans	-115.5	102.1	156.2	178.3	0	0	0	0	106	T609	T609-V611 PolarHBondContact O-N 3.44Å
612	D	25.6	Very low	25.6	Very low	152 Å²	152	140.5 Å²	140.5	81%	0.813	77%	0.77	S	S	*	*			trans	-86.3	107.2	172	-160.3	8.4	0	0	0	106.7
613	N	30.3	Very low	25.6	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	77%	0.766	S	S	*	*			trans	-147.7	110.2	164.7	-79.7	-35.6	0	0	0	102.7
614	G	25	Very low	25.8	Very low	64 Å²	64	136.7 Å²	136.7	66%	0.66	76%	0.761	S	S	*	*				102.3	94.4	56.3	0	0	0	0	0	107
615	D	27.3	Very low	26	Very low	135 Å²	135	140.4 Å²	140.4	72%	0.722	77%	0.765	S	S	*	*			trans	63.4	121.8	154	-72	-49	0	0	0	121.4
616	Q	25.5	Very low	26.2	Very low	165 Å²	165	140.5 Å²	140.5	77%	0.771	77%	0.769	S	S	*	*				61.3	120.7	129.3	-62.5	169.4	32.6	0	0	117.4
617	L	28.1	Very low	26.3	Very low	150 Å²	150	140.1 Å²	140.1	79%	0.785	77%	0.772	S	S	*	*				-171.8	98.5	121.1	-90.6	178.6	0	0	0	107.9	E619	L617-E619 VanDerWaalsContact C-N 3.29Å; L617-E619 PolarHBondContact O-N 3.29Å
618	D	24.3	Very low	26.4	Very low	164 Å²	164	137 Å²	137	88%	0.877	77%	0.768	S	S	*	*			trans	-67.4	85.5	163.2	-82.4	-39.5	0	0	0	108.7	T620	D618-T620 PolarHBondContact O-N 3.36Å
619	E	26.2	Very low	26.6	Very low	151 Å²	151	138.9 Å²	138.9	71%	0.706	77%	0.771	S	S	*	*			trans	-84.3	88.8	167.8	-75.4	-168.4	176.3	0	0	109.5	L617 I621	L617-E619 VanDerWaalsContact C-N 3.29Å; L617-E619 PolarHBondContact O-N 3.29Å; E619-I621 PolarHBondContact O-N 3.35Å
620	T	24.3	Very low	26.7	Very low	118 Å²	118	142.1 Å²	142.1	72%	0.724	78%	0.778	S	S	*	*			trans	-67.1	94.2	164.7	-55.1	0	0	0	0	108.1	D618 V622	D618-T620 PolarHBondContact O-N 3.36Å; T620-V622 HydrophobicContact CG2-CG2 4.18Å; T620-V622 PolarHBondContact O-N 3.34Å
621	I	24.4	Very low	27	Very low	128 Å²	128	143 Å²	143	66%	0.656	78%	0.777	S	S	*	*			trans	-75.4	95	173.7	-59.9	175.6	0	0	0	107.9	E619 L623	E619-I621 PolarHBondContact O-N 3.35Å; I621-L623 HydrophobicContact CG2-CD2 3.87Å; I621-L623 HydrophobicContact CG2-CG 4.14Å; I621-L623 PolarHBondContact O-N 3.49Å
622	V	27.3	Very low	27.1	Very low	124 Å²	124	146 Å²	146	75%	0.752	79%	0.787	S	S	*	*			trans	-73.1	100.2	166.7	-178.8	0	0	0	0	107.3	T620 S624	T620-V622 HydrophobicContact CG2-CG2 4.18Å; T620-V622 PolarHBondContact O-N 3.34Å; V622-S624 PolarHBondContact O-N 3.42Å
623	L	26.3	Very low	27.2	Very low	153 Å²	153	142.9 Å²	142.9	80%	0.801	78%	0.778	S	S	*	*			trans	-73.3	104.7	170.9	-67.4	173.5	0	0	0	108.7	I621	I621-L623 HydrophobicContact CG2-CD2 3.87Å; I621-L623 HydrophobicContact CG2-CG 4.14Å; I621-L623 PolarHBondContact O-N 3.49Å
624	S	27.4	Very low	27.3	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	78%	0.78	S	S	*	*			trans	-66.2	136.6	170.4	51.5	0	0	0	0	111.3	V622 E626	V622-S624 PolarHBondContact O-N 3.42Å; S624-E626 PolarHBondContact O-N 3.17Å
625	E	28.2	Very low	27.5	Very low	195 Å²	195	147 Å²	147	91%	0.911	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	16.6	-171.8	-79.3	-177.8	144.2	0	0	118.4
626	E	31	Very low	27.6	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	7.1	-168.4	-81.8	-168.7	151	0	0	117.8	S624	S624-E626 PolarHBondContact O-N 3.17Å
627	T	27.7	Very low	27.7	Very low	139 Å²	139	146.2 Å²	146.2	85%	0.853	78%	0.78	S	S	*	*			trans	-111.5	52.6	170.3	61.6	0	0	0	0	112
628	A	26	Very low	27.8	Very low	89 Å²	89	144.4 Å²	144.4	74%	0.736	78%	0.777	S	S	*	*			trans	-107.8	45.9	171.2	0	0	0	0	0	111.3
629	K	28.7	Very low	28.1	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.835	77%	0.767	S	S	*	*	S	Bend	trans	-146.2	133.4	165.4	-67.4	-172.1	-179.6	172.1	0	108.3
630	E	27.9	Very low	28.2	Very low	181 Å²	181	142.1 Å²	142.1	85%	0.846	77%	0.772	S	S	*	*			trans	77.2	77.5	173.2	-56.5	-178	165.5	0	0	116.4
631	N	29	Very low	28.6	Very low	152 Å²	152	141 Å²	141	81%	0.813	76%	0.761	S	S	*	*			trans	-156.8	85	130.5	-94.5	-33.6	0	0	0	109.1	S633	N631-S633 PolarHBondContact O-N 3.36Å
632	I	27.5	Very low	28.9	Very low	186 Å²	186	143.1 Å²	143.1	95%	0.954	77%	0.768	S	S	*	*			trans	-71.5	81.7	162.6	-61	167.5	0	0	0	105.6
633	S	29.6	Very low	29	Very low	87 Å²	87	143.8 Å²	143.8	61%	0.608	76%	0.763	S	S	*	*			trans	-137.2	113.5	172.8	76	0	0	0	0	110.9	N631	N631-S633 PolarHBondContact O-N 3.36Å
634	H	32	Very low	29.2	Very low	184 Å²	184	141.4 Å²	141.4	85%	0.852	75%	0.75	S	S	*	*			trans	58.8	72.9	153	-103.2	42.2	0	0	0	116	P636	H634-P636 WeakPolarHBondContact O-CD 2.89Å
635	V	29.3	Very low	29.3	Very low	115 Å²	115	139.6 Å²	139.6	70%	0.697	74%	0.737	S	S	*	*			trans	-81.3	112	148.5	-178.5	0	0	0	0	106	K637	V635-K637 PolarHBondContact O-N 3.37Å
636	P	28.1	Very low	29.4	Very low	101 Å²	101	136 Å²	136	66%	0.656	72%	0.724	S	S	*	*			trans	-65.7	106.2	166.4	-3.7	20.5	0	0	0	105.4	H634	H634-P636 WeakPolarHBondContact O-CD 2.89Å
637	K	27.6	Very low	29.3	Very low	183 Å²	183	134 Å²	134	80%	0.796	72%	0.715	S	S	*	*			trans	-53.2	131.4	170	-70.8	-177.2	-178	-176.2	0	107	V635 A639	V635-K637 PolarHBondContact O-N 3.37Å; K637-A639 VanDerWaalsContact C-N 3.33Å; K637-A639 PolarHBondContact O-N 3.25Å
638	P	30.6	Very low	29.3	Very low	112 Å²	112	131.4 Å²	131.4	73%	0.727	71%	0.708	S	S	*	*			trans	-59.1	104.3	169	-12.7	26.1	0	0	0	106.2	F640	P638-F640 PolarHBondContact O-N 3.4Å; P638-F640 VanDerWaalsContact O-N 3.08Å
639	A	31.2	Very low	29.6	Very low	79 Å²	79	133.3 Å²	133.3	65%	0.653	70%	0.697	S	S	*	*			trans	-67.5	108.1	177.5	0	0	0	0	0	106.9	K637 I641	K637-A639 VanDerWaalsContact C-N 3.33Å; K637-A639 PolarHBondContact O-N 3.25Å; A639-I641 VanDerWaalsContact O-CG1 3.23Å; A639-I641 WeakPolarHBondContact O-CG1 3.16Å; A639-I641 PolarHBondContact O-N 3.39Å
640	F	29	Very low	29.6	Very low	188 Å²	188	127.5 Å²	127.5	83%	0.825	68%	0.681	S	S	*	*			trans	41.3	69.3	144.4	-127.8	-98.1	0	0	0	114.5	P638	P638-F640 PolarHBondContact O-N 3.4Å; P638-F640 VanDerWaalsContact O-N 3.08Å
641	I	32.3	Very low	29.7	Very low	93 Å²	93	124.1 Å²	124.1	48%	0.477	67%	0.674	S	S	.	*			trans	-116.6	54.7	170	-49.8	-166.6	0	0	0	108.7	A639 L644	A639-I641 VanDerWaalsContact O-CG1 3.23Å; A639-I641 WeakPolarHBondContact O-CG1 3.16Å; A639-I641 PolarHBondContact O-N 3.39Å; I641-L644 HydrophobicContact CG2-CB 3.84Å; I641-L644 HydrophobicContact CG2-CD1 4.02Å; I641-L644 HydrophobicContact CG2-CG 4.46Å
642	E	29.2	Very low	29.9	Very low	174 Å²	174	123.5 Å²	123.5	81%	0.813	67%	0.671	S	S	*	*	S	Bend	trans	-98.6	-10.4	161.4	-133.7	172.7	-166.4	0	0	111
643	E	30.5	Very low	29.9	Very low	138 Å²	138	122 Å²	122	65%	0.645	66%	0.664	S	S	*	*	S	Bend	trans	-94.3	-25.8	-176.9	-151	163.5	-162.2	0	0	113.4	C645 N646	E643-C645 PolarHBondContact O-N 3.38Å; E643-N646 PolarHBondContact O-N 3.24Å
644	L	29.4	Very low	29.8	Very low	102 Å²	102	123.6 Å²	123.6	53%	0.534	67%	0.671	S	S	.	*	H	α-helix	trans	-77.6	-20.5	-179.8	-78.9	163.9	0	0	0	114.3	I641 N646 E647	I641-L644 HydrophobicContact CG2-CB 3.84Å; I641-L644 HydrophobicContact CG2-CD1 4.02Å; I641-L644 HydrophobicContact CG2-CG 4.46Å; L644-N646 PolarHBondContact O-N 3.27Å; L644-E647 PolarHBondContact O-N 3.47Å
645	C	30.7	Very low	29.5	Very low	60 Å²	60	119.8 Å²	119.8	41%	0.405	67%	0.665	S	S	.	*	H	α-helix	trans	-70.8	-15.4	176.6	-74.3	0	0	0	0	113.1	E643	E643-C645 PolarHBondContact O-N 3.38Å
646	N	29.1	Very low	29.4	Very low	119 Å²	119	123.6 Å²	123.6	64%	0.636	67%	0.672	S	S	*	*	H	α-helix	trans	-98.7	-17.9	176.1	-71.9	-25.1	0	0	0	113.6	E643 L644	E643-N646 PolarHBondContact O-N 3.24Å; L644-N646 PolarHBondContact O-N 3.27Å
647	E	29.9	Very low	29.3	Very low	139 Å²	139	127 Å²	127	65%	0.65	68%	0.682	S	S	*	*	H	α-helix	trans	-85.1	-18	-179	-75.4	-168.8	158	0	0	114.4	L644 Y649	L644-E647 PolarHBondContact O-N 3.47Å; E647-Y649 PolarHBondContact O-N 3.3Å; E647-Y649 VanDerWaalsContact O-N 3.16Å
648	A	28.5	Very low	29.2	Very low	86 Å²	86	126 Å²	126	71%	0.711	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-9	177.1	0	0	0	0	0	113.9
649	Y	31.7	Very low	28.9	Very low	129 Å²	129	127.6 Å²	127.6	51%	0.506	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.9	40.6	-179.6	-90.1	-90	0	0	0	112.9	D215 I237 E647	D215-Y649 PolarHBondContact OD2-OH 2.66Å; I237-Y649 HydrophobicContact CD1-CE1 4.03Å; I237-Y649 HydrophobicContact CD1-CE2 4.39Å; E647-Y649 PolarHBondContact O-N 3.3Å; E647-Y649 VanDerWaalsContact O-N 3.16Å
650	S	28.7	Very low	28.7	Very low	70 Å²	70	128 Å²	128	49%	0.49	70%	0.697	S	S	.	*			trans	-99.2	114.1	165.3	-167.3	0	0	0	0	110.5	N652	S650-N652 PolarHBondContact O-N 3.05Å
651	P	29.7	Very low	28.5	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-11	177.7	-20.1	31.3	0	0	0	114.3	N653	P651-N653 VanDerWaalsContact C-N 3.3Å; P651-N653 PolarHBondContact O-N 3.16Å
652	N	32.5	Very low	28.2	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	9.3	-170.9	-73.2	-13.9	0	0	0	115.1	S650 T654	S650-N652 PolarHBondContact O-N 3.05Å; N652-T654 VanDerWaalsContact C-N 3.33Å; N652-T654 PolarHBondContact O-N 3.16Å
653	N	27.6	Very low	28.1	Very low	154 Å²	154	131.5 Å²	131.5	82%	0.824	72%	0.723	S	S	*	*			trans	-93.8	25.3	179.5	-135.5	6.6	0	0	0	114.4	P651	P651-N653 VanDerWaalsContact C-N 3.3Å; P651-N653 PolarHBondContact O-N 3.16Å
654	T	27.6	Very low	28.1	Very low	121 Å²	121	135 Å²	135	74%	0.742	74%	0.736	S	S	*	*			trans	-93.3	17.6	177.8	42.1	0	0	0	0	114.2	N652 F656	N652-T654 VanDerWaalsContact C-N 3.33Å; N652-T654 PolarHBondContact O-N 3.16Å; T654-F656 VanDerWaalsContact C-N 3.29Å; T654-F656 PolarHBondContact O-N 3.01Å
655	S	27.2	Very low	27.9	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	76%	0.755	S	S	*	*			trans	-78.6	2.7	-178.6	-174.1	0	0	0	0	115.5
656	F	26.5	Very low	27.6	Very low	195 Å²	195	146.3 Å²	146.3	86%	0.855	78%	0.775	S	S	*	*	S	Bend	trans	-123.6	50.5	-176.7	-92.5	-79.9	0	0	0	113.7	T654	T654-F656 VanDerWaalsContact C-N 3.29Å; T654-F656 PolarHBondContact O-N 3.01Å
657	M	25.8	Very low	27.7	Very low	173 Å²	173	146.1 Å²	146.1	85%	0.852	78%	0.78	S	S	*	*	S	Bend	trans	-147.6	5.4	167.4	-90.4	-52.2	-175.1	0	0	117.6
658	N	24.5	Very low	27.5	Very low	161 Å²	161	151 Å²	151	86%	0.861	79%	0.793	S	S	*	*			trans	-107.1	26.3	-173.9	-77.1	-12.2	0	0	0	116.3
659	T	25.5	Very low	27.3	Very low	146 Å²	146	154.4 Å²	154.4	90%	0.896	80%	0.799	S	S	*	*	S	Bend	trans	-116.8	58.5	178.1	-28.6	0	0	0	0	112.1
660	A	26.1	Very low	27	Very low	88 Å²	88	153.2 Å²	153.2	73%	0.727	81%	0.809	S	S	*	*	S	Bend	trans	-160	32.6	173.6	0	0	0	0	0	115.4
661	L	26.2	Very low	27	Very low	172 Å²	172	158.9 Å²	158.9	90%	0.901	83%	0.828	S	S	*	*			trans	-146.3	62.3	175.8	-71.9	177.2	0	0	0	112.4
662	D	25.8	Very low	26.7	Very low	164 Å²	164	162.4 Å²	162.4	88%	0.877	84%	0.835	S	S	*	*			trans	-147.6	86.1	164.5	-98.8	-29.2	0	0	0	108.3
663	E	26.7	Very low	26.7	Very low	193 Å²	193	162.6 Å²	162.6	90%	0.902	84%	0.841	S	S	*	*			trans	178.3	71.5	157.5	-103.6	-179.7	-153.7	0	0	111.2
664	K	30.9	Very low	26.6	Very low	210 Å²	210	162.9 Å²	162.9	91%	0.913	84%	0.843	S	S	*	*			trans	-138.6	100.4	154.7	-78.5	-163	179.2	174.9	0	111	N666	K664-N666 PolarHBondContact O-N 3.41Å
665	R	25.4	Very low	26.7	Very low	248 Å²	248	160.7 Å²	160.7	94%	0.936	84%	0.844	S	S	*	*			trans	-58.6	127.9	170.1	-76.6	175.6	170.8	172	-2.3	110.7	P667	R665-P667 WeakPolarHBondContact O-CD 3.18Å
666	N	23.8	Very low	26.6	Very low	153 Å²	153	164.6 Å²	164.6	82%	0.818	85%	0.851	S	S	*	*			trans	-68.7	115.1	173.3	-171.4	-4.7	0	0	0	111.4	K664	K664-N666 PolarHBondContact O-N 3.41Å
667	P	30.6	Very low	26.8	Very low	114 Å²	114	162.5 Å²	162.5	74%	0.74	85%	0.849	S	S	*	*			trans	-93.3	132.9	167.6	29	-15.8	0	0	0	110.5	R665	R665-P667 WeakPolarHBondContact O-CD 3.18Å
668	R	27.3	Very low	26.6	Very low	243 Å²	243	160.9 Å²	160.9	92%	0.917	85%	0.848	S	S	*	*			trans	-55.3	135.2	-172.8	-65.9	171.9	-174.4	169	0.3	114.1
669	N	24	Very low	26.8	Very low	157 Å²	157	159.7 Å²	159.7	84%	0.84	84%	0.84	S	S	*	*			trans	-44.6	137.7	152.5	-80.7	-26.7	0	0	0	112.3
670	S	24.5	Very low	26.6	Very low	104 Å²	104	161.4 Å²	161.4	73%	0.727	84%	0.838	S	S	*	*				156.6	144	112.4	61.1	0	0	0	0	111.9
671	E	28.1	Very low	26.7	Very low	188 Å²	188	163.3 Å²	163.3	88%	0.879	84%	0.84	S	S	*	*			trans	107.3	86.8	159.2	-57.7	-172.5	173	0	0	117
672	E	24.7	Very low	26.7	Very low	183 Å²	183	160.5 Å²	160.5	86%	0.855	83%	0.834	S	S	*	*			trans	-48.7	133.8	154.5	-59.7	168.1	138.9	0	0	112.5
673	V	31.2	Very low	26.6	Very low	144 Å²	144	161.2 Å²	161.2	87%	0.873	83%	0.832	S	S	*	*			trans	-135.1	107.9	149.3	-179.7	0	0	0	0	108.2	G675	V673-G675 PolarHBondContact O-N 3.22Å
674	N	26.7	Very low	26.7	Very low	160 Å²	160	161.3 Å²	161.3	86%	0.856	83%	0.833	S	S	*	*			trans	-56.5	121.5	169.1	-81.5	-42.4	0	0	0	111.1
675	G	30	Very low	26.4	Very low	75 Å²	75	159.6 Å²	159.6	77%	0.773	83%	0.828	S	S	*	*			trans	-136.3	97.3	168.5	0	0	0	0	0	109.2	V673	V673-G675 PolarHBondContact O-N 3.22Å
676	Q	25.3	Very low	26.6	Very low	185 Å²	185	157.1 Å²	157.1	86%	0.864	83%	0.827	S	S	*	*			trans	-63	130.7	169.8	-69.4	158.9	-57.3	0	0	109.5
677	D	29.3	Very low	26.5	Very low	152 Å²	152	156 Å²	156	81%	0.813	83%	0.829	S	S	*	*			trans	-157.8	98.4	147.5	-92.2	-31.2	0	0	0	109
678	V	23	Very low	26.5	Very low	139 Å²	139	163.5 Å²	163.5	84%	0.842	85%	0.854	S	S	*	*			trans	-83.3	106.4	168.3	176.5	0	0	0	0	106.3
679	I	27.6	Very low	26.5	Very low	135 Å²	135	159.5 Å²	159.5	69%	0.692	85%	0.851	S	S	*	*			trans	-124.2	90	169	-59.9	179.8	0	0	0	107.7	V681	I679-V681 HydrophobicContact CG2-CG2 3.72Å
680	E	21.6	Very low	26.6	Very low	182 Å²	182	159.6 Å²	159.6	85%	0.85	85%	0.852	S	S	*	*			trans	-69.5	112.4	160.6	-122.3	177.6	171.6	0	0	107.5
681	V	29.1	Very low	26.7	Very low	128 Å²	128	162.7 Å²	162.7	78%	0.776	86%	0.859	S	S	*	*			trans	-129	117.9	164.2	176.2	0	0	0	0	108.3	I679	I679-V681 HydrophobicContact CG2-CG2 3.72Å
682	C	25.4	Very low	26.6	Very low	114 Å²	114	161.2 Å²	161.2	77%	0.77	86%	0.858	S	S	*	*			trans	-61.6	152.8	-175.9	-60.9	0	0	0	0	113.9	E684	C682-E684 PolarHBondContact O-N 3.31Å
683	E	24.1	Very low	26.7	Very low	178 Å²	178	159.9 Å²	159.9	83%	0.832	86%	0.858	S	S	*	*			trans	-43.1	117.2	171.4	-58.5	174.3	148.8	0	0	113.7
684	E	28.5	Very low	26.5	Very low	196 Å²	196	160.9 Å²	160.9	92%	0.916	86%	0.857	S	S	*	*			trans	-95.1	102.5	156.8	-83	-175.4	164.7	0	0	108.7	C682	C682-E684 PolarHBondContact O-N 3.31Å
685	Q	24.8	Very low	26.4	Very low	173 Å²	173	161 Å²	161	81%	0.808	86%	0.857	S	S	*	*			trans	-73.8	109.2	160.9	-68.9	-179.3	-20	0	0	108.7
686	E	28.9	Very low	26.2	Very low	197 Å²	197	167.6 Å²	167.6	92%	0.921	86%	0.863	S	S	*	*			trans	-139.5	137	153.6	-87.9	-166	162.8	0	0	111.5
687	C	22.8	Very low	26.2	Very low	129 Å²	129	166.2 Å²	166.2	87%	0.872	86%	0.863	S	S	*	*			trans	-78.7	140.3	-171.6	-60.4	0	0	0	0	112
688	E	29.7	Very low	26	Very low	271 Å²	271	167.5 Å²	167.5	100%	1.266	87%	0.868	S	S	*	*			trans	-136.6	0	138.7	-89.3	-164.9	158.8	0	0	110.4

Retrieved 688 of 688 residues in 174 ms (Link to these results)

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