A0A077YZ26_TRITR Loading...

RhoGEF and PH and PH 11 and FYVE domain containin g protein

AlphaFold DB , UniProt , Accession A0A077YZ26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 765 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	33.3	Very low	29.8	Very low	249 Å²	249	145.2 Å²	145.2	100%	1.227	85%	0.845	S	S	*	*				0	90.8	0	-75.8	180	163.9	0	0	107.2
2	G	34.1	Very low	29.6	Very low	86 Å²	86	141.5 Å²	141.5	89%	0.887	83%	0.833	S	S	*	*			trans	-93.6	113.6	-175.2	0	0	0	0	0	110.4
3	A	33.1	Very low	29.2	Very low	109 Å²	109	139.3 Å²	139.3	90%	0.901	83%	0.83	S	S	*	*			trans	-112	102.3	160.7	0	0	0	0	0	106
4	A	29.6	Very low	29.3	Very low	91 Å²	91	138.5 Å²	138.5	75%	0.752	83%	0.834	S	S	*	*			trans	-116.8	153.6	175	0	0	0	0	0	108.8
5	E	32.3	Very low	29.5	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.822	84%	0.837	S	S	*	*			trans	92.2	81.6	163.7	-55	-172.2	168.3	0	0	117.4
6	V	31.6	Very low	29.6	Very low	139 Å²	139	147.5 Å²	147.5	84%	0.842	84%	0.843	S	S	*	*			trans	-131.4	102.8	135.8	-176.2	0	0	0	0	107
7	L	29.3	Very low	29.8	Very low	148 Å²	148	149.4 Å²	149.4	78%	0.775	84%	0.842	S	S	*	*			trans	-91.8	105.1	175	-106.4	153.7	0	0	0	108.4	I9	L7-I9 PolarHBondContact O-N 3.3Å
8	D	23.4	Very low	30	Very low	136 Å²	136	146.6 Å²	146.6	73%	0.727	83%	0.834	S	S	*	*			trans	-70.6	114.7	163.7	-83.9	-37.9	0	0	0	109.3
9	I	28	Very low	30.3	Very low	138 Å²	138	144.8 Å²	144.8	71%	0.708	83%	0.832	S	S	*	*			trans	-113.8	100.3	165	-61.7	179.5	0	0	0	108	L7 V11	L7-I9 PolarHBondContact O-N 3.3Å; I9-V11 HydrophobicContact CG2-CG2 4.25Å; I9-V11 PolarHBondContact O-N 2.87Å
10	F	25.3	Very low	30.3	Very low	191 Å²	191	145.1 Å²	145.1	84%	0.838	83%	0.829	S	S	*	*			trans	-63.3	118.6	163.4	-88.7	-98.7	0	0	0	109.8
11	V	28.5	Very low	30.4	Very low	134 Å²	134	143 Å²	143	81%	0.812	82%	0.82	S	S	*	*			trans	-114.7	107.6	156.8	-178.7	0	0	0	0	107.9	I9	I9-V11 HydrophobicContact CG2-CG2 4.25Å; I9-V11 PolarHBondContact O-N 2.87Å
12	S	26.4	Very low	30.2	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	80%	0.797	S	S	*	*			trans	-82.5	135.3	176.1	45.7	0	0	0	0	111.5
13	S	25.6	Very low	30.1	Very low	113 Å²	113	138.2 Å²	138.2	79%	0.79	79%	0.792	S	S	*	*			trans	57.2	93.5	145.8	-159.9	0	0	0	0	118.5
14	S	30.6	Very low	30.3	Very low	128 Å²	128	139.3 Å²	139.3	90%	0.895	79%	0.788	S	S	*	*			trans	-110.9	127.7	150.4	-73.1	0	0	0	0	109.8
15	R	31.7	Very low	30.3	Very low	230 Å²	230	140 Å²	140	87%	0.868	78%	0.784	S	S	*	*			trans	-48.8	136.2	-167.8	-70.2	164.9	-179.9	-176.3	-1.1	114.8	H17	R15-H17 PolarHBondContact O-N 3.49Å
16	M	30.6	Very low	30.4	Very low	191 Å²	191	137.4 Å²	137.4	94%	0.941	78%	0.783	S	S	*	*			trans	-57.2	111.6	162	-67.3	-172.1	168.9	0	0	110.4	S18	M16-S18 PolarHBondContact O-N 3.46Å
17	H	33.7	Very low	30.3	Very low	179 Å²	179	140 Å²	140	83%	0.829	78%	0.783	S	S	*	*			trans	-74.8	100.6	156.3	-88.3	-77.4	0	0	0	108.1	R15 S19	R15-H17 PolarHBondContact O-N 3.49Å; H17-S19 PolarHBondContact O-N 2.73Å
18	S	33.2	Very low	30.5	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	78%	0.775	S	S	*	*			trans	-44.6	108.7	161.7	173.8	0	0	0	0	109.6	M16 I20	M16-S18 PolarHBondContact O-N 3.46Å; S18-I20 VanDerWaalsContact C-N 3.33Å; S18-I20 PolarHBondContact O-N 3.34Å
19	S	34.9	Very low	30.9	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	78%	0.783	S	S	*	*			trans	-75	91.1	170	-30	0	0	0	0	106.8	H17 P21	H17-S19 PolarHBondContact O-N 2.73Å; S19-P21 VanDerWaalsContact O-CD 3.27Å; S19-P21 WeakPolarHBondContact O-CD 3.12Å; S19-P21 VanDerWaalsContact O-N 3.16Å
20	I	31.7	Very low	31	Very low	149 Å²	149	141.3 Å²	141.3	76%	0.764	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-57	117	169.7	-64.2	170.2	0	0	0	106.8	S18	S18-I20 VanDerWaalsContact C-N 3.33Å; S18-I20 PolarHBondContact O-N 3.34Å
21	P	30.9	Very low	31.3	Very low	101 Å²	101	138.9 Å²	138.9	66%	0.656	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.5	147.3	176.2	25	-30.8	0	0	0	110	S19	S19-P21 VanDerWaalsContact O-CD 3.27Å; S19-P21 WeakPolarHBondContact O-CD 3.12Å; S19-P21 VanDerWaalsContact O-N 3.16Å
22	P	29.4	Very low	31.3	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.9	149.4	-176.1	24.5	-33.3	0	0	0	111.6	V24	P22-V24 PolarHBondContact O-N 3.45Å
23	P	32	Very low	31.4	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.4	132.5	-175.3	23.9	-32.3	0	0	0	111.6
24	V	36.8	Very low	31.7	Very low	133 Å²	133	147 Å²	147	81%	0.806	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.3	123.8	173.4	179.9	0	0	0	0	108.6	P22	P22-V24 PolarHBondContact O-N 3.45Å
25	P	30.7	Very low	31.6	Very low	104 Å²	104	145 Å²	145	68%	0.675	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-62	145.9	179.7	21.5	-29.7	0	0	0	111.2	K27	P25-K27 PolarHBondContact O-N 2.73Å
26	P	33.9	Very low	31.4	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.5	-177	24.1	-32.3	0	0	0	111
27	K	29.8	Very low	31.4	Very low	194 Å²	194	138.2 Å²	138.2	84%	0.843	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-53.4	123.9	176.7	-75.1	-179.8	178.2	177	0	109.7	P25 K29	P25-K27 PolarHBondContact O-N 2.73Å; K27-K29 PolarHBondContact O-N 3.29Å
28	P	32.7	Very low	31	Very low	95 Å²	95	135.5 Å²	135.5	62%	0.617	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.6	179.2	20.9	-29.5	0	0	0	110.1	N30	P28-N30 PolarHBondContact O-N 2.93Å; P28-N30 VanDerWaalsContact O-N 3.14Å
29	K	32.5	Very low	30.8	Very low	206 Å²	206	135.4 Å²	135.4	90%	0.896	75%	0.754	S	S	*	*	S	Bend	trans	-71.4	2	-176.9	-81.5	-174.2	175.4	179.9	0	114.8	K27	K27-K29 PolarHBondContact O-N 3.29Å
30	N	30.8	Very low	30.4	Very low	148 Å²	148	132.5 Å²	132.5	79%	0.791	74%	0.741	S	S	*	*			trans	-141.9	77.7	174.5	-73.2	-51.1	0	0	0	109.6	P28 V32	P28-N30 PolarHBondContact O-N 2.93Å; P28-N30 VanDerWaalsContact O-N 3.14Å; N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.12Å
31	L	29.9	Very low	30.3	Very low	140 Å²	140	132 Å²	132	73%	0.733	75%	0.747	S	S	*	*			trans	-67.8	95.6	159	-85.5	160	0	0	0	106.9	K33	L31-K33 PolarHBondContact O-N 3.32Å
32	V	30.5	Very low	30.1	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	75%	0.749	S	S	*	*			trans	-60.1	96	152.5	178.7	0	0	0	0	104.7	N30 Y34	N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.12Å; V32-Y34 PolarHBondContact O-N 3.35Å; V32-Y34 VanDerWaalsContact O-N 3.16Å
33	K	27.4	Very low	30	Very low	170 Å²	170	138.2 Å²	138.2	74%	0.739	76%	0.756	S	S	*	*			trans	-57.9	121	175.6	-70.9	176.3	178	176.6	0	106	L31 S35	L31-K33 PolarHBondContact O-N 3.32Å; K33-S35 PolarHBondContact O-N 2.95Å
34	Y	31	Very low	29.8	Very low	215 Å²	215	137 Å²	137	84%	0.843	76%	0.756	S	S	*	*			trans	-59.1	85.5	146.2	-89.8	-90.3	0	0	0	105.3	V32 Q36	V32-Y34 PolarHBondContact O-N 3.35Å; V32-Y34 VanDerWaalsContact O-N 3.16Å; Y34-Q36 PolarHBondContact O-N 3.3Å; Y34-Q36 VanDerWaalsContact O-N 3.1Å
35	S	29.1	Very low	29.3	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	76%	0.755	S	S	*	*			trans	-65.3	114.1	175.1	48.4	0	0	0	0	106	K33 S37	K33-S35 PolarHBondContact O-N 2.95Å; S35-S37 PolarHBondContact O-N 2.89Å
36	Q	27.1	Very low	29.1	Very low	198 Å²	198	142.8 Å²	142.8	93%	0.925	76%	0.764	S	S	*	*			trans	-60.8	83.2	149.3	-69.2	177.3	-8.8	0	0	105.5	Y34 S38	Y34-Q36 PolarHBondContact O-N 3.3Å; Y34-Q36 VanDerWaalsContact O-N 3.1Å; Q36-S38 PolarHBondContact O-N 3.34Å; Q36-S38 VanDerWaalsContact O-N 3.1Å
37	S	30.6	Very low	28.8	Very low	81 Å²	81	142.9 Å²	142.9	57%	0.566	76%	0.764	S	S	*	*			trans	-69.9	107.3	171.7	53.5	0	0	0	0	106.4	S35 V39	S35-S37 PolarHBondContact O-N 2.89Å; S37-V39 PolarHBondContact O-N 3.48Å
38	S	26.6	Very low	28.5	Very low	122 Å²	122	137.8 Å²	137.8	85%	0.853	76%	0.759	S	S	*	*			trans	-62.3	86.9	159.2	57.1	0	0	0	0	107.3	Q36	Q36-S38 PolarHBondContact O-N 3.34Å; Q36-S38 VanDerWaalsContact O-N 3.1Å
39	V	28.3	Very low	28.3	Very low	98 Å²	98	138.6 Å²	138.6	59%	0.594	76%	0.764	S	S	*	*			trans	-108.1	114.5	174.4	-164.9	0	0	0	0	106.9	S37 V42	S37-V39 PolarHBondContact O-N 3.48Å; V39-V42 HydrophobicContact CG1-CG2 3.7Å
40	G	26.9	Very low	28.1	Very low	51 Å²	51	134.2 Å²	134.2	53%	0.526	76%	0.756	S	S	.	*			trans	-56.2	179.9	165.9	0	0	0	0	0	111.8	V42	G40-V42 PolarHBondContact O-N 3.37Å
41	P	28.8	Very low	27.8	Very low	138 Å²	138	132.7 Å²	132.7	90%	0.896	76%	0.755	S	S	*	*			trans	-57.8	107.7	-166.1	23.4	-32.6	0	0	0	111.2	R43	P41-R43 PolarHBondContact O-N 3.02Å; P41-R43 VanDerWaalsContact O-N 3.09Å
42	V	27.9	Very low	27.8	Very low	113 Å²	113	132 Å²	132	69%	0.685	76%	0.758	S	S	*	*			trans	-66.5	109.3	173.7	177.1	0	0	0	0	107	V39 G40 A44	V39-V42 HydrophobicContact CG1-CG2 3.7Å; G40-V42 PolarHBondContact O-N 3.37Å; V42-A44 PolarHBondContact O-N 3.16Å
43	R	27.5	Very low	27.9	Very low	231 Å²	231	131.7 Å²	131.7	87%	0.872	76%	0.757	S	S	*	*			trans	-55	125.5	172.6	-165.3	174.5	-172	165.1	1.4	108.3	P41 V45	P41-R43 PolarHBondContact O-N 3.02Å; P41-R43 VanDerWaalsContact O-N 3.09Å; R43-V45 PolarHBondContact O-N 3.4Å
44	A	26.9	Very low	28	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	76%	0.761	S	S	*	*			trans	-48.8	106.3	-178.2	0	0	0	0	0	111.3	V42 R46	V42-A44 PolarHBondContact O-N 3.16Å; A44-R46 PolarHBondContact O-N 3.07Å
45	V	26.3	Very low	28.1	Very low	131 Å²	131	124.8 Å²	124.8	79%	0.794	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-73.2	119.8	165.5	178.8	0	0	0	0	105.5	R43	R43-V45 PolarHBondContact O-N 3.4Å
46	R	27.2	Very low	28.3	Very low	229 Å²	229	129.5 Å²	129.5	86%	0.864	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-53.2	137.8	177.1	-76.5	-176.5	178.8	-169.2	-0.3	109.2	A44 A48	A44-R46 PolarHBondContact O-N 3.07Å; R46-A48 PolarHBondContact O-N 3.5Å
47	P	26.7	Very low	28.3	Very low	123 Å²	123	126 Å²	126	80%	0.799	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-54.5	133	178.6	-22.8	31.8	0	0	0	110.7
48	A	24.8	Very low	28.4	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.9	139.8	167.9	0	0	0	0	0	108.9	R46	R46-A48 PolarHBondContact O-N 3.5Å
49	P	27.1	Very low	28.5	Very low	112 Å²	112	133.9 Å²	133.9	73%	0.727	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-61.2	153	179.2	23.8	-31.2	0	0	0	111.3
50	P	28.6	Very low	28.4	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-58.8	146.2	-176.3	24	-33.6	0	0	0	111.6
51	P	25.6	Very low	28.6	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-60.6	142	175.6	24.5	-31.9	0	0	0	110.4	T53	P51-T53 PolarHBondContact O-N 3.42Å
52	P	28.1	Very low	28.2	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.4	129.1	-179	23.7	-31.3	0	0	0	110.3
53	T	33.7	Very low	28.3	Very low	127 Å²	127	138.4 Å²	138.4	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57.5	135.5	170.3	44.1	0	0	0	0	109.9	P51 S55	P51-T53 PolarHBondContact O-N 3.42Å; T53-S55 PolarHBondContact O-N 2.9Å
54	P	29.2	Very low	28.1	Very low	125 Å²	125	134.8 Å²	134.8	81%	0.812	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-58.8	124.7	-176.9	21.1	-30.1	0	0	0	110.6	K56	P54-K56 PolarHBondContact O-N 3.3Å
55	S	33.2	Very low	28.2	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.9	174.6	43.9	0	0	0	0	109.7	T53	T53-S55 PolarHBondContact O-N 2.9Å
56	K	32.4	Very low	28	Very low	187 Å²	187	135.7 Å²	135.7	81%	0.813	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-57.6	142.8	170.7	-76	-179.6	177.8	177.6	0	109.3	P54 V58	P54-K56 PolarHBondContact O-N 3.3Å; K56-V58 PolarHBondContact O-N 2.92Å
57	P	28	Very low	27.9	Very low	124 Å²	124	130.3 Å²	130.3	81%	0.805	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.6	121.7	-173.3	26.2	-32.3	0	0	0	110.3	R59	P57-R59 PolarHBondContact O-N 3.46Å
58	V	32	Very low	27.7	Very low	142 Å²	142	132.9 Å²	132.9	86%	0.861	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.3	120.9	167.7	178.6	0	0	0	0	107.3	K56	K56-V58 PolarHBondContact O-N 2.92Å
59	R	30.1	Very low	27.5	Very low	226 Å²	226	133 Å²	133	85%	0.853	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.5	147.2	175.6	-78	-176	-177.6	-144	1	110.6	P57	P57-R59 PolarHBondContact O-N 3.46Å
60	P	26.6	Very low	27.4	Very low	117 Å²	117	136.4 Å²	136.4	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.3	133.4	-167.9	30.5	-32.8	0	0	0	111.3
61	V	29.7	Very low	27	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	80%	0.797	S	S	*	*			trans	-109.4	110.2	160.2	177.4	0	0	0	0	106.6
62	C	21.8	Very low	27.1	Very low	114 Å²	114	137.8 Å²	137.8	77%	0.77	80%	0.802	S	S	*	*			trans	-73.2	126.5	167	-65.1	0	0	0	0	108.9
63	T	29.2	Very low	26.8	Very low	128 Å²	128	139 Å²	139	79%	0.785	80%	0.801	S	S	*	*			trans	-146	115.9	147.1	46.8	0	0	0	0	108.7
64	D	24.1	Very low	26.2	Very low	155 Å²	155	138.1 Å²	138.1	83%	0.829	80%	0.796	S	S	*	*			trans	-55	134	166.5	-59.9	-62.6	0	0	0	111.4
65	S	28.2	Very low	25.9	Very low	119 Å²	119	139 Å²	139	83%	0.832	79%	0.794	S	S	*	*				-176.4	129.2	124.7	17.2	0	0	0	0	112.2
66	V	21.1	Very low	25.6	Very low	129 Å²	129	140.2 Å²	140.2	78%	0.782	80%	0.795	S	S	*	*			trans	-79.5	140.4	170.2	169	0	0	0	0	109.1
67	P	26.2	Very low	24.9	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	80%	0.798	S	S	*	*				-139.1	126.2	107.3	25.8	-6.3	0	0	0	111.9
68	Q	21.6	Very low	24.5	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	80%	0.795	S	S	*	*				61.6	116.2	95.3	-85.3	-166.3	-10.9	0	0	116.6
69	A	21.9	Very low	24	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	80%	0.796	S	S	*	*			trans	59.2	126.2	142.5	0	0	0	0	0	116.3
70	E	24.6	Very low	23.5	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	79%	0.792	S	S	*	*				-171.5	156.6	62	-89.6	-169.8	159.3	0	0	110.4
71	S	20.5	Very low	23.6	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	80%	0.795	S	S	*	*			trans	-52.7	141.1	166.9	47.8	0	0	0	0	114.3
72	N	27.4	Very low	23.2	Very low	163 Å²	163	137.9 Å²	137.9	87%	0.872	79%	0.794	S	S	*	*				-163.9	146.8	124.1	-99.7	-31.4	0	0	0	114.1
73	L	21.4	Very low	23.1	Very low	148 Å²	148	137 Å²	137	78%	0.775	80%	0.795	S	S	*	*			trans	-83.2	164.4	-171.5	-86.8	145.7	0	0	0	113.4
74	T	22.3	Very low	22.9	Very low	110 Å²	110	136.7 Å²	136.7	68%	0.675	80%	0.795	S	S	*	*			trans	79.9	122.4	142.2	44.9	0	0	0	0	122.1
75	N	22.4	Very low	22.7	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	79%	0.794	S	S	*	*				59	130.2	129.8	-60.6	-20.3	0	0	0	119.8
76	V	25.4	Very low	22.4	Very low	139 Å²	139	139.1 Å²	139.1	84%	0.842	80%	0.797	S	S	*	*				171.3	121.7	102.2	158.9	0	0	0	0	108.6
77	M	18.9	Very low	22.3	Very low	174 Å²	174	142.3 Å²	142.3	86%	0.857	80%	0.801	S	S	*	*			trans	-65.4	150.1	156	-75.1	178.5	177.1	0	0	109.4
78	V	20.5	Very low	22.2	Very low	124 Å²	124	143.8 Å²	143.8	75%	0.752	80%	0.803	S	S	*	*				153.6	136.3	127.1	164.9	0	0	0	0	112.5
79	R	20.8	Very low	22.2	Very low	233 Å²	233	142.2 Å²	142.2	88%	0.879	80%	0.795	S	S	*	*			trans	93.4	109.9	151	-92.6	161.8	-167.8	-172.5	0.4	121.3
80	S	18.8	Very low	22.2	Very low	111 Å²	111	144.8 Å²	144.8	78%	0.776	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-48.7	142.8	149.5	-37.9	0	0	0	0	113.6
81	P	28.6	Very low	22	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-88.7	149.8	163.4	-3.9	23.2	0	0	0	112.6
82	S	22.8	Very low	22.1	Very low	115 Å²	115	143.9 Å²	143.9	80%	0.804	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.7	155.2	-177.7	-35.9	0	0	0	0	114.6
83	A	19.1	Very low	21.9	Very low	95 Å²	95	141.3 Å²	141.3	79%	0.785	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.2	155.5	162.7	0	0	0	0	0	112.5
84	P	24.1	Very low	22	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	78%	0.781	S	S	*	*				-129.1	143.9	129.8	26.7	-10.9	0	0	0	112.7
85	T	20.7	Very low	22.3	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	80%	0.795	S	S	*	*			trans	-67.7	139.5	164.7	41	0	0	0	0	111.4
86	E	21.2	Very low	22.3	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	80%	0.798	S	S	*	*				-175.7	137.4	127.2	-102.6	170.1	-170.6	0	0	111.5
87	F	19.8	Very low	22	Very low	196 Å²	196	147.2 Å²	147.2	86%	0.86	79%	0.788	S	S	*	*			trans	-80.2	140.5	168.7	-93.3	-107.8	0	0	0	108.8
88	D	23.2	Very low	22.3	Very low	146 Å²	146	144.2 Å²	144.2	78%	0.781	78%	0.784	S	S	*	*				-176	120.2	130	-94.8	-23.2	0	0	0	113.5
89	H	22	Very low	22.3	Very low	144 Å²	144	145.4 Å²	145.4	67%	0.667	79%	0.785	S	S	*	*				45.2	125.9	126.4	-79.7	-63.8	0	0	0	124.5
90	H	23	Very low	22.3	Very low	145 Å²	145	138.5 Å²	138.5	67%	0.671	77%	0.772	S	S	*	*				93.5	103.7	126	-76.2	-48.7	0	0	0	122.5
91	T	20.6	Very low	22.4	Very low	111 Å²	111	139.1 Å²	139.1	68%	0.681	77%	0.767	S	S	*	*				70.7	137.2	120.5	58.1	0	0	0	0	123.2
92	N	20.6	Very low	22	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	76%	0.764	S	S	*	*			trans	68	117.7	141.9	-78.1	-10.6	0	0	0	120
93	S	24.2	Very low	22.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	76%	0.761	S	S	*	*				-174.2	117.1	113.4	-126.3	0	0	0	0	110
94	S	22.8	Very low	22.3	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	76%	0.762	S	S	*	*				80.7	104.6	91.9	-58.9	0	0	0	0	114.4
95	K	29.6	Very low	22.1	Very low	223 Å²	223	143.7 Å²	143.7	97%	0.97	76%	0.758	S	S	*	*			trans	-128.5	131.8	140	-88.3	-174.2	178.3	176.3	0	109.1
96	R	21.1	Very low	22.2	Very low	221 Å²	221	144.5 Å²	144.5	83%	0.834	76%	0.755	S	S	*	*			trans	-109.1	145.8	-155.6	-124.5	-177	170.3	-160	1.1	110.1
97	L	20.5	Very low	22.2	Very low	119 Å²	119	144.6 Å²	144.6	62%	0.623	75%	0.753	S	S	*	*			trans	53.9	124.6	136.7	-70.6	160.2	0	0	0	121.2	L99	L97-L99 HydrophobicContact CD2-CD1 4.31Å
98	S	24	Very low	22.2	Very low	111 Å²	111	140 Å²	140	78%	0.776	75%	0.745	S	S	*	*				153.3	118.8	103.2	51.1	0	0	0	0	109.4
99	L	20.5	Very low	22.4	Very low	149 Å²	149	138.9 Å²	138.9	78%	0.78	75%	0.746	S	S	*	*				79.5	120.6	69.4	-93.1	148.8	0	0	0	115.4	L97	L97-L99 HydrophobicContact CD2-CD1 4.31Å
100	S	20.8	Very low	22.4	Very low	88 Å²	88	143.6 Å²	143.6	62%	0.615	76%	0.758	S	S	*	*			trans	82.6	119.4	133.3	58.9	0	0	0	0	121.9
101	N	21.3	Very low	22.4	Very low	125 Å²	125	148 Å²	148	67%	0.668	77%	0.769	S	S	*	*				109.7	120.7	113.9	-82.7	21.3	0	0	0	121
102	E	20.1	Very low	22.5	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	78%	0.778	S	S	*	*				72	118.8	125.3	-66.4	175.5	136.4	0	0	121
103	S	25.8	Very low	22.7	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	78%	0.776	S	S	*	*				-178.7	116.5	114.7	-74	0	0	0	0	108.9
104	Q	22.3	Very low	22.6	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	78%	0.78	S	S	*	*				58.6	139.3	102.4	-64.8	-175.6	22.6	0	0	115.2
105	T	20.2	Very low	22.7	Very low	114 Å²	114	147.4 Å²	147.4	70%	0.699	78%	0.781	S	S	*	*			cis	-175.1	161	-14.6	30.2	0	0	0	0	104.9
106	I	22.9	Very low	22.5	Very low	146 Å²	146	142.7 Å²	142.7	75%	0.749	77%	0.771	S	S	*	*			trans	134.4	103.9	147.3	-68	168.6	0	0	0	114.3
107	F	21.7	Very low	22.5	Very low	197 Å²	197	141.4 Å²	141.4	86%	0.864	77%	0.771	S	S	*	*			trans	64.9	126.6	142.6	-77.2	-95	0	0	0	124.6
108	S	20.2	Very low	22.6	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	78%	0.783	S	S	*	*			trans	-50.3	168.2	161.7	-107.6	0	0	0	0	115.5
109	P	25.8	Very low	22.7	Very low	124 Å²	124	144.8 Å²	144.8	81%	0.805	78%	0.781	S	S	*	*			cis	-140.6	155.8	38.6	35.3	-13.3	0	0	0	119.3
110	R	21.7	Very low	22.9	Very low	243 Å²	243	143 Å²	143	92%	0.917	78%	0.781	S	S	*	*			trans	-26.7	118.8	166.7	-66.2	172	173.2	-153.2	-3.5	116.5
111	R	24.6	Very low	23.1	Very low	238 Å²	238	144.8 Å²	144.8	90%	0.898	79%	0.789	S	S	*	*			trans	-138.7	121.7	142.4	-157.4	175.5	-129.2	-178.5	2.5	108.1	S113	R111-S113 PolarHBondContact O-N 3.37Å; R111-S113 VanDerWaalsContact O-N 3.1Å
112	A	22.2	Very low	23.3	Very low	106 Å²	106	144.5 Å²	144.5	88%	0.876	80%	0.797	S	S	*	*			trans	-69.1	102.4	-175.3	0	0	0	0	0	110.5
113	S	24.1	Very low	23.7	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	80%	0.802	S	S	*	*			trans	-104.8	113	163.1	42.2	0	0	0	0	108	R111 S115	R111-S113 PolarHBondContact O-N 3.37Å; R111-S113 VanDerWaalsContact O-N 3.1Å; S113-S115 PolarHBondContact O-N 3.43Å
114	V	23.4	Very low	23.7	Very low	139 Å²	139	145.7 Å²	145.7	84%	0.842	80%	0.797	S	S	*	*			trans	-56.9	103.9	176.4	175.2	0	0	0	0	108.6	V116	V114-V116 PolarHBondContact O-N 3.01Å
115	S	23.7	Very low	24	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	80%	0.796	S	S	*	*			trans	-75.9	110.8	172.6	53.6	0	0	0	0	108.8	S113 F117	S113-S115 PolarHBondContact O-N 3.43Å; S115-F117 PolarHBondContact O-N 2.82Å
116	V	24.7	Very low	24.4	Very low	124 Å²	124	147 Å²	147	75%	0.752	80%	0.804	S	S	*	*			trans	-48.3	124.3	168.2	176	0	0	0	0	109.4	V114 N118	V114-V116 PolarHBondContact O-N 3.01Å; V116-N118 PolarHBondContact O-N 3.48Å
117	F	23	Very low	24.6	Very low	194 Å²	194	144.4 Å²	144.4	85%	0.851	79%	0.792	S	S	*	*			trans	-58.2	118	168.8	-89.3	-98.6	0	0	0	108.8	S115 D119	S115-F117 PolarHBondContact O-N 2.82Å; F117-D119 PolarHBondContact O-N 3.34Å
118	N	22.4	Very low	24.9	Very low	160 Å²	160	138.6 Å²	138.6	86%	0.856	78%	0.776	S	S	*	*			trans	-67.6	87.7	163.2	-89.9	-3.5	0	0	0	107.7	V116	V116-N118 PolarHBondContact O-N 3.48Å
119	D	24.6	Very low	25.4	Very low	140 Å²	140	142.3 Å²	142.3	75%	0.749	78%	0.775	S	S	*	*			trans	-88.7	128.1	171.4	-140.4	-11.2	0	0	0	110.2	F117 T121	F117-D119 PolarHBondContact O-N 3.34Å; D119-T121 PolarHBondContact O-N 2.86Å; D119-T121 VanDerWaalsContact O-N 3.1Å
120	S	25.2	Very low	25.5	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	77%	0.774	S	S	*	*			trans	-77.8	95	-166.2	-61.5	0	0	0	0	109.8
121	T	24.7	Very low	26.1	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	76%	0.762	S	S	*	*			trans	-104.7	64.3	173	44.2	0	0	0	0	111.1	D119 E123	D119-T121 PolarHBondContact O-N 2.86Å; D119-T121 VanDerWaalsContact O-N 3.1Å; T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 2.91Å
122	S	27.1	Very low	26.2	Very low	119 Å²	119	133.4 Å²	133.4	83%	0.832	74%	0.735	S	S	*	*			trans	-86.3	68.3	161	-79	0	0	0	0	109.3
123	E	26.8	Very low	26.4	Very low	186 Å²	186	134.7 Å²	134.7	87%	0.869	73%	0.726	S	S	*	*			trans	-162.3	40.6	171.6	-118.7	175.4	-148.5	0	0	114	T121	T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 2.91Å
124	V	27.2	Very low	26.5	Very low	105 Å²	105	136 Å²	136	64%	0.636	73%	0.732	S	S	*	*			trans	-145.9	66.9	170.5	-166.5	0	0	0	0	111.8
125	V	27.3	Very low	26.7	Very low	129 Å²	129	132.7 Å²	132.7	78%	0.782	73%	0.726	S	S	*	*			trans	-145.7	43.7	165	-162.4	0	0	0	0	111.8	E505	V125-E505 VanDerWaalsContact C-OE2 3.25Å; V125-E505 WeakPolarHBondContact CA-OE2 3.36Å
126	Q	29.9	Very low	27	Very low	186 Å²	186	129.7 Å²	129.7	87%	0.869	70%	0.7	S	S	*	*			trans	-128.8	7.7	177.8	-80.4	-166.4	-4.1	0	0	116.2	E505	Q126-E505 PolarHBondContact N-OE2 3.15Å
127	N	27.1	Very low	27.1	Very low	93 Å²	93	129 Å²	129	50%	0.497	69%	0.688	S	S	.	*			trans	-103.6	8	-174.2	-91.4	-17	0	0	0	118.5	R129 E505	N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 3.4Å; N127-E505 VanDerWaalsContact CA-CD 3.44Å; N127-E505 WeakPolarHBondContact CA-OE1 3.28Å; N127-E505 HydrophobicContact CB-CB 3.88Å; N127-E505 HydrophobicContact CB-CG 3.63Å; N127-E505 PolarHBondContact N-OE1 2.87Å; N127-E505 PolarHBondContact N-OE2 3.03Å
128	S	28.2	Very low	27.6	Very low	74 Å²	74	122.7 Å²	122.7	52%	0.517	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	16.6	-178.9	-63.7	0	0	0	0	116	E505	S128-E505 WeakPolarHBondContact CB-OE1 3.23Å; S128-E505 PolarHBondContact N-OE1 3Å; S128-E505 VanDerWaalsContact OG-CG 3.31Å; S128-E505 WeakPolarHBondContact OG-CG 3.17Å; S128-E505 PolarHBondContact OG-OE1 2.87Å
129	R	29.4	Very low	27.9	Very low	177 Å²	177	120.8 Å²	120.8	67%	0.668	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	11.1	-175.8	-80.2	-167.6	-179.7	-166.8	2.6	117.6	N127 E137	N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 3.4Å; R129-E137 IonicContact NH1-OE1 2.66Å
130	R	29.4	Very low	28.4	Very low	209 Å²	209	118.7 Å²	118.7	79%	0.789	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	10.9	-171.1	-75.5	-168.1	-168.3	156.8	6.6	118.6
131	Y	33.6	Very low	28.7	Very low	169 Å²	169	117.2 Å²	117.2	66%	0.663	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	18.7	170.8	-70.9	-74.6	0	0	0	114.4	V504 R508	Y131-V504 HydrophobicContact CE2-CG1 4.31Å; Y131-R508 PolarHBondContact OH-NH1 3.44Å
132	A	26.8	Very low	28.8	Very low	40 Å²	40	118.3 Å²	118.3	33%	0.331	62%	0.624	S	S	.	*			trans	-88.1	111.2	163.6	0	0	0	0	0	108.7	E137	A132-E137 HydrophobicContact CB-CG 4.17Å
133	L	26.5	Very low	28.9	Very low	133 Å²	133	122.3 Å²	122.3	70%	0.696	62%	0.621	S	S	*	*			trans	-54.4	142.7	157.4	-76	163.5	0	0	0	108.1	G135 H136	L133-G135 PolarHBondContact O-N 3.33Å; L133-H136 WeakPolarHBondContact O-CB 3.44Å; L133-H136 PolarHBondContact O-N 3.48Å
134	P	25.3	Very low	29.1	Very low	137 Å²	137	118.3 Å²	118.3	89%	0.89	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	118.6	-179.3	-23.4	32.4	0	0	0	110.5
135	G	28.3	Very low	29.4	Very low	68 Å²	68	117.7 Å²	117.7	70%	0.701	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.1	-7.4	-176.5	0	0	0	0	0	115.9	L133	L133-G135 PolarHBondContact O-N 3.33Å
136	H	29.7	Very low	29.4	Very low	43 Å²	43	114.3 Å²	114.3	20%	0.199	61%	0.605	C	S	.	*			trans	-92.6	-2	-177.8	-121	-93.2	0	0	0	115	L133 S138 L140 Q314	L133-H136 WeakPolarHBondContact O-CB 3.44Å; L133-H136 PolarHBondContact O-N 3.48Å; H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact O-N 2.97Å; H136-L140 WeakPolarHBondContact ND1-CD1 3.46Å; H136-L140 PolarHBondContact O-N 3.13Å; H136-Q314 PolarHBondContact CE1-NE2 2.94Å; H136-Q314 PolarHBondContact NE2-NE2 3.42Å
137	E	27.6	Very low	29.5	Very low	108 Å²	108	109.6 Å²	109.6	51%	0.505	59%	0.589	S	S	.	*	H	α-helix	trans	-67	-25.7	179.7	-72.2	-155.7	142.9	0	0	113.2	R129 A132 Y139 S141	R129-E137 IonicContact NH1-OE1 2.66Å; A132-E137 HydrophobicContact CB-CG 4.17Å; E137-Y139 PolarHBondContact O-N 3.44Å; E137-S141 WeakPolarHBondContact O-CB 3.45Å; E137-S141 PolarHBondContact O-N 3.25Å
138	S	33.8	Very low	29.7	Very low	62 Å²	62	115.7 Å²	115.7	43%	0.434	61%	0.607	S	S	.	*	H	α-helix	trans	-72.2	-27.1	-175.5	61	0	0	0	0	114	H136	H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact O-N 2.97Å
139	Y	28.5	Very low	29.9	Very low	120 Å²	120	117.9 Å²	117.9	47%	0.471	62%	0.622	S	S	.	*	H	α-helix	trans	-110	-28.7	-174.7	-138.1	-97.3	0	0	0	114	E137	E137-Y139 PolarHBondContact O-N 3.44Å
140	L	33.9	Very low	29.9	Very low	97 Å²	97	111.9 Å²	111.9	51%	0.508	62%	0.615	S	S	.	*	H	α-helix	trans	-84.2	-20.7	176.5	-66.7	178.2	0	0	0	113.2	H136	H136-L140 WeakPolarHBondContact ND1-CD1 3.46Å; H136-L140 PolarHBondContact O-N 3.13Å
141	S	31.1	Very low	30.1	Very low	80 Å²	80	107.9 Å²	107.9	56%	0.559	62%	0.619	S	S	*	*	S	Bend	trans	-88.9	-8.2	-176.3	-169	0	0	0	0	114.3	E137 R143	E137-S141 WeakPolarHBondContact O-CB 3.45Å; E137-S141 PolarHBondContact O-N 3.25Å; S141-R143 PolarHBondContact O-N 3.43Å
142	E	28.6	Very low	30.3	Very low	149 Å²	149	107.1 Å²	107.1	70%	0.696	62%	0.622	S	S	*	*	S	Bend	trans	-86.6	114.2	176.1	-70.7	-164.2	164.3	0	0	110.9
143	R	27.6	Very low	31	Very low	203 Å²	203	109.9 Å²	109.9	77%	0.766	64%	0.639	S	S	*	*			trans	69.9	32.2	156.7	-63.5	-179.6	173.2	-167.2	0.1	119	S141 S145	S141-R143 PolarHBondContact O-N 3.43Å; R143-S145 PolarHBondContact O-N 2.75Å
144	S	31.3	Very low	32	Very low	102 Å²	102	108.3 Å²	108.3	71%	0.713	64%	0.639	S	S	*	*			trans	-66.9	89.9	134.6	-174.1	0	0	0	0	105.4	G146	S144-G146 PolarHBondContact O-N 3.24Å
145	S	34.3	Very low	32.9	Very low	92 Å²	92	109.5 Å²	109.5	64%	0.643	64%	0.638	S	S	*	*			trans	-49.9	99.5	169.3	43.7	0	0	0	0	106.9	R143 V147	R143-S145 PolarHBondContact O-N 2.75Å; S145-V147 PolarHBondContact O-N 3.06Å
146	G	26.5	Very low	34	Very low	58 Å²	58	109.4 Å²	109.4	60%	0.598	62%	0.621	S	S	*	*			trans	-61.4	87.9	160	0	0	0	0	0	104.4	S144 Y148	S144-G146 PolarHBondContact O-N 3.24Å; G146-Y148 WeakPolarHBondContact O-CD2 3.13Å; G146-Y148 PolarHBondContact O-N 2.69Å
147	V	33.1	Very low	35.4	Very low	87 Å²	87	112.8 Å²	112.8	53%	0.527	64%	0.64	S	S	.	*			trans	-64.3	90.6	160.6	-174.4	0	0	0	0	102.7	S145 S149	S145-V147 PolarHBondContact O-N 3.06Å; V147-S149 PolarHBondContact O-N 2.69Å; V147-S149 VanDerWaalsContact O-N 3.09Å
148	Y	29.8	Very low	37	Very low	221 Å²	221	115.5 Å²	115.5	87%	0.867	65%	0.653	S	S	*	*			trans	-47.7	121.2	169.6	-84.2	-91.4	0	0	0	106.1	G146 G150	G146-Y148 WeakPolarHBondContact O-CD2 3.13Å; G146-Y148 PolarHBondContact O-N 2.69Å; Y148-G150 PolarHBondContact O-N 3.17Å
149	S	32	Very low	38.3	Very low	121 Å²	121	119.4 Å²	119.4	85%	0.846	66%	0.662	S	S	*	*			trans	-68.4	83.2	165	-168.7	0	0	0	0	105.6	V147 S151	V147-S149 PolarHBondContact O-N 2.69Å; V147-S149 VanDerWaalsContact O-N 3.09Å; S149-S151 PolarHBondContact O-N 3.02Å
150	G	31.2	Very low	40.2	Very low	50 Å²	50	117.8 Å²	117.8	52%	0.515	66%	0.659	S	S	.	*			trans	-60.5	123.3	164.3	0	0	0	0	0	107.2	Y148 E152	Y148-G150 PolarHBondContact O-N 3.17Å; G150-E152 PolarHBondContact O-N 3.31Å
151	S	32.3	Very low	42	Very low	126 Å²	126	118 Å²	118	88%	0.881	66%	0.659	S	S	*	*			trans	-58.8	102.2	166.6	-50.4	0	0	0	0	107.4	S149	S149-S151 PolarHBondContact O-N 3.02Å
152	E	38	Very low	43.8	Very low	153 Å²	153	120.5 Å²	120.5	72%	0.715	66%	0.662	S	S	*	*			trans	-128	143.6	176.7	-74.6	-173.9	174.8	0	0	111	G150	G150-E152 PolarHBondContact O-N 3.31Å
153	S	41.3	Very low	46	Very low	97 Å²	97	119 Å²	119	68%	0.678	66%	0.655	S	S	*	*			trans	-58	155.1	-162.9	42.9	0	0	0	0	115.7
154	S	47.1	Very low	48.6	Very low	101 Å²	101	114.7 Å²	114.7	71%	0.706	64%	0.639	S	S	*	*	S	Bend	trans	-45	141.4	164.8	44.9	0	0	0	0	112.7
155	D	45.2	Very low	51.1	Low	162 Å²	162	111.6 Å²	111.6	87%	0.866	62%	0.617	S	S	*	*			trans	87.9	51.7	169	-47	-25.5	0	0	0	117.2
156	I	50.4	Low	53.6	Low	66 Å²	66	109.9 Å²	109.9	34%	0.338	61%	0.609	S	S	.	*			trans	-90.1	127.9	160.9	-56.2	176.2	0	0	0	108.8	E160 I161	I156-E160 HydrophobicContact CG2-CB 3.61Å; I156-I161 HydrophobicContact CB-CG1 4.3Å; I156-I161 HydrophobicContact CG2-CG1 3.83Å
157	D	59.5	Low	56.5	Low	114 Å²	114	110.2 Å²	110.2	61%	0.61	60%	0.597	S	S	*	*			trans	-57.9	141.8	177.2	-157.1	-14	0	0	0	111.6	F159 E160 I161	D157-F159 PolarHBondContact O-N 2.97Å; D157-F159 VanDerWaalsContact O-N 3.11Å; D157-E160 PolarHBondContact O-N 3.08Å; D157-I161 PolarHBondContact O-N 3.17Å
158	E	61	Low	59.3	Low	165 Å²	165	109.8 Å²	109.8	77%	0.771	59%	0.588	S	S	*	*	H	α-helix	trans	-59.2	-29.6	-175.5	-160.8	170.5	-157.5	0	0	111.2	Q162	E158-Q162 PolarHBondContact O-N 2.71Å; E158-Q162 VanDerWaalsContact O-N 3.14Å
159	F	61.4	Low	62.2	Low	144 Å²	144	100.5 Å²	100.5	63%	0.632	55%	0.553	S	S	*	*	H	α-helix	trans	-66.1	-44.4	174.1	-169.9	-97.8	0	0	0	113.2	D157 I161 Q162 E163	D157-F159 PolarHBondContact O-N 2.97Å; D157-F159 VanDerWaalsContact O-N 3.11Å; F159-I161 VanDerWaalsContact C-N 3.33Å; F159-I161 PolarHBondContact O-N 3.37Å; F159-Q162 PolarHBondContact O-N 3.37Å; F159-E163 PolarHBondContact O-N 3.07Å
160	E	68.4	Low	65	Low	86 Å²	86	96.6 Å²	96.6	40%	0.402	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-36.7	176.9	-87	-162.9	-160.7	0	0	111.7	I156 D157 Q162 R164	I156-E160 HydrophobicContact CG2-CB 3.61Å; D157-E160 PolarHBondContact O-N 3.08Å; E160-Q162 VanDerWaalsContact C-N 3.31Å; E160-Q162 PolarHBondContact O-N 3.14Å; E160-R164 WeakPolarHBondContact O-CB 3.08Å; E160-R164 VanDerWaalsContact O-CG 3.24Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 2.85Å; E160-R164 IonicContact OE2-CZ 3.23Å; E160-R164 IonicContact OE2-NE 2.75Å; E160-R164 IonicContact OE2-NH2 3.88Å; E160-R164 PolarHBondContact OE2-NH2 3.01Å
161	I	70.9	Confident	67.9	Low	100 Å²	100	102.5 Å²	102.5	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-62.6	-42.4	175.9	-63.2	174.8	0	0	0	110	I156 D157 F159 S165	I156-I161 HydrophobicContact CB-CG1 4.3Å; I156-I161 HydrophobicContact CG2-CG1 3.83Å; D157-I161 PolarHBondContact O-N 3.17Å; F159-I161 VanDerWaalsContact C-N 3.33Å; F159-I161 PolarHBondContact O-N 3.37Å; I161-S165 PolarHBondContact O-N 3.43Å
162	Q	69	Low	70.8	Confident	133 Å²	133	97.1 Å²	97.1	62%	0.621	49%	0.49	S	S	*	.	H	α-helix	trans	-68.6	-42.8	-179.8	-161.9	173.5	15.9	0	0	112.2	E158 F159 E160 S165 A166	E158-Q162 PolarHBondContact O-N 2.71Å; E158-Q162 VanDerWaalsContact O-N 3.14Å; F159-Q162 PolarHBondContact O-N 3.37Å; E160-Q162 VanDerWaalsContact C-N 3.31Å; E160-Q162 PolarHBondContact O-N 3.14Å; Q162-S165 WeakPolarHBondContact O-CB 3.25Å; Q162-S165 PolarHBondContact O-N 3.35Å; Q162-A166 PolarHBondContact O-N 3.3Å
163	E	74.8	Confident	73.4	Confident	117 Å²	117	89.9 Å²	89.9	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-45.1	176.2	-170.7	175.1	-166	0	0	111.6	F159 S165 A166 D167	F159-E163 PolarHBondContact O-N 3.07Å; E163-S165 PolarHBondContact O-N 3.27Å; E163-A166 PolarHBondContact O-N 3.09Å; E163-D167 PolarHBondContact O-N 2.84Å
164	R	83.3	Confident	75.9	Confident	113 Å²	113	89 Å²	89	43%	0.426	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-33.1	174.2	-71.5	179	-164.6	-163.5	10.1	112.2	E160 K168	E160-R164 WeakPolarHBondContact O-CB 3.08Å; E160-R164 VanDerWaalsContact O-CG 3.24Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 2.85Å; E160-R164 IonicContact OE2-CZ 3.23Å; E160-R164 IonicContact OE2-NE 2.75Å; E160-R164 IonicContact OE2-NH2 3.88Å; E160-R164 PolarHBondContact OE2-NH2 3.01Å; R164-K168 WeakPolarHBondContact O-CB 3.39Å; R164-K168 VanDerWaalsContact O-CG 3.22Å; R164-K168 WeakPolarHBondContact O-CG 3.16Å; R164-K168 PolarHBondContact O-N 2.83Å
165	S	83.6	Confident	78.3	Confident	37 Å²	37	86.6 Å²	86.6	26%	0.259	42%	0.419	S	S	.	.	H	α-helix	trans	-71.6	-43.1	175.5	-163.5	0	0	0	0	111.9	I161 Q162 E163 D167 K168 L169 Y329	I161-S165 PolarHBondContact O-N 3.43Å; Q162-S165 WeakPolarHBondContact O-CB 3.25Å; Q162-S165 PolarHBondContact O-N 3.35Å; E163-S165 PolarHBondContact O-N 3.27Å; S165-D167 VanDerWaalsContact C-N 3.35Å; S165-D167 PolarHBondContact O-N 2.84Å; S165-K168 PolarHBondContact O-N 3.43Å; S165-L169 WeakPolarHBondContact O-CB 2.98Å; S165-L169 PolarHBondContact O-N 3.17Å; S165-Y329 PolarHBondContact OG-O 2.98Å; S165-Y329 VanDerWaalsContact OG-O 3.12Å
166	A	86	Confident	80.7	Confident	57 Å²	57	79 Å²	79	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177.3	0	0	0	0	0	112.2	Q162 E163 L169 F170	Q162-A166 PolarHBondContact O-N 3.3Å; E163-A166 PolarHBondContact O-N 3.09Å; A166-L169 WeakPolarHBondContact O-CB 3.46Å; A166-L169 PolarHBondContact O-N 2.66Å; A166-F170 WeakPolarHBondContact O-CB 3.44Å; A166-F170 PolarHBondContact O-N 3.3Å
167	D	88.6	Confident	82.8	Confident	65 Å²	65	75.8 Å²	75.8	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-39.4	175.7	-103.3	7.4	0	0	0	112.6	E163 S165 F170 R171 R244	E163-D167 PolarHBondContact O-N 2.84Å; S165-D167 VanDerWaalsContact C-N 3.35Å; S165-D167 PolarHBondContact O-N 2.84Å; D167-F170 PolarHBondContact O-N 3.32Å; D167-R171 VanDerWaalsContact O-CG 3.31Å; D167-R171 WeakPolarHBondContact O-CG 3.39Å; D167-R171 PolarHBondContact O-N 3.48Å; D167-R244 IonicContact OD1-NH2 2.66Å; D167-R244 PolarHBondContact OD1-NH2 3.35Å; D167-R244 VanDerWaalsContact OD1-NH2 3.07Å
168	K	91.2	Very high	84.6	Confident	78 Å²	78	73.5 Å²	73.5	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-42.9	173.2	-73.8	173.3	-172.1	175.6	0	111.4	R164 S165 F170 R171 V172 Y329	R164-K168 WeakPolarHBondContact O-CB 3.39Å; R164-K168 VanDerWaalsContact O-CG 3.22Å; R164-K168 WeakPolarHBondContact O-CG 3.16Å; R164-K168 PolarHBondContact O-N 2.83Å; S165-K168 PolarHBondContact O-N 3.43Å; K168-F170 PolarHBondContact O-N 3.4Å; K168-R171 PolarHBondContact O-N 2.9Å; K168-V172 WeakPolarHBondContact O-CG2 3.37Å; K168-V172 PolarHBondContact O-N 3.25Å; K168-Y329 HydrophobicContact CB-CD1 3.86Å; K168-Y329 HydrophobicContact CB-CD2 3.88Å; K168-Y329 HydrophobicContact CB-CE1 3.96Å; K168-Y329 HydrophobicContact CB-CE2 3.95Å; K168-Y329 HydrophobicContact CB-CG 3.83Å; K168-Y329 HydrophobicContact CD-CD1 3.98Å; K168-Y329 HydrophobicContact CD-CE1 3.43Å; K168-Y329 VanDerWaalsContact CD-CE1 3.43Å; K168-Y329 HydrophobicContact CG-CE1 4.29Å
169	L	91.1	Very high	86.3	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-46.8	175.4	-173.1	70.2	0	0	0	111.4	S165 A166 R171 V172 A173 Y326 L330	S165-L169 WeakPolarHBondContact O-CB 2.98Å; S165-L169 PolarHBondContact O-N 3.17Å; A166-L169 WeakPolarHBondContact O-CB 3.46Å; A166-L169 PolarHBondContact O-N 2.66Å; L169-R171 PolarHBondContact O-N 3.18Å; L169-V172 PolarHBondContact O-N 2.91Å; L169-A173 PolarHBondContact O-N 3.23Å; L169-Y326 HydrophobicContact CD1-CD1 4.09Å; L169-Y326 HydrophobicContact CD1-CD2 3.5Å; L169-Y326 HydrophobicContact CD1-CE1 3.95Å; L169-Y326 HydrophobicContact CD1-CE2 3.33Å; L169-Y326 HydrophobicContact CD1-CG 3.87Å; L169-Y326 WeakPolarHBondContact CD1-O 3.36Å; L169-Y326 HydrophobicContact CG-CD2 4.31Å; L169-Y326 HydrophobicContact CG-CE2 3.74Å; L169-L330 HydrophobicContact CD1-CB 4.01Å; L169-L330 HydrophobicContact CD1-CD1 4.24Å; L169-L330 HydrophobicContact CD2-CD1 3.89Å
170	F	90.9	Very high	88	Confident	40 Å²	40	60.3 Å²	60.3	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-42.9	176.8	-176.1	-95.1	0	0	0	112	A166 D167 K168 V172 A173 Q174 H240 L243 R244	A166-F170 WeakPolarHBondContact O-CB 3.44Å; A166-F170 PolarHBondContact O-N 3.3Å; D167-F170 PolarHBondContact O-N 3.32Å; K168-F170 PolarHBondContact O-N 3.4Å; F170-V172 VanDerWaalsContact C-N 3.32Å; F170-V172 PolarHBondContact O-N 2.91Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 2.99Å; F170-Q174 WeakPolarHBondContact O-CB 3.31Å; F170-Q174 PolarHBondContact O-N 3.46Å; F170-H240 AromaticContact CE2-NE2 3.87Å; F170-H240 AromaticContact CZ-CE1 3.57Å; F170-H240 AromaticContact CZ-NE2 3.6Å; F170-L243 HydrophobicContact CD2-CD2 3.95Å; F170-L243 HydrophobicContact CE2-CD2 4.42Å; F170-R244 HydrophobicContact CD2-CG 3.88Å; F170-R244 HydrophobicContact CE2-CG 3.8Å
171	R	92.4	Very high	89.5	Confident	173 Å²	173	59.8 Å²	59.8	65%	0.653	29%	0.286	S	S	*	.	H	α-helix	trans	-63.1	-36.2	175.6	-72.2	176.5	-172.6	-142.8	4	112.7	D167 K168 L169 Q174 E175	D167-R171 VanDerWaalsContact O-CG 3.31Å; D167-R171 WeakPolarHBondContact O-CG 3.39Å; D167-R171 PolarHBondContact O-N 3.48Å; K168-R171 PolarHBondContact O-N 2.9Å; L169-R171 PolarHBondContact O-N 3.18Å; R171-Q174 PolarHBondContact O-N 2.95Å; R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 2.88Å
172	V	93	Very high	90.7	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-42.4	175.3	178.5	0	0	0	0	110.9	K168 L169 F170 Q174 E175 M176 T325 Y326 Y329	K168-V172 WeakPolarHBondContact O-CG2 3.37Å; K168-V172 PolarHBondContact O-N 3.25Å; L169-V172 PolarHBondContact O-N 2.91Å; F170-V172 VanDerWaalsContact C-N 3.32Å; F170-V172 PolarHBondContact O-N 2.91Å; V172-Q174 VanDerWaalsContact C-N 3.31Å; V172-Q174 PolarHBondContact O-N 3.12Å; V172-E175 WeakPolarHBondContact O-CB 3.4Å; V172-E175 PolarHBondContact O-N 2.86Å; V172-M176 HydrophobicContact CG1-CE 4.22Å; V172-M176 WeakPolarHBondContact O-CG 3.4Å; V172-M176 PolarHBondContact O-N 3.4Å; V172-T325 HydrophobicContact CG1-CG2 4.42Å; V172-T325 HydrophobicContact CG2-CG2 3.72Å; V172-Y326 HydrophobicContact CB-CD2 4.21Å; V172-Y326 HydrophobicContact CG1-CD2 3.95Å; V172-Y326 HydrophobicContact CG1-CG 4.44Å; V172-Y329 HydrophobicContact CG2-CD2 4.13Å; V172-Y329 HydrophobicContact CG2-CE2 4.26Å
173	A	92.9	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-41.5	173.2	0	0	0	0	0	112	L169 F170 E175 M176 C177 L243 I250 Y326	L169-A173 PolarHBondContact O-N 3.23Å; F170-A173 WeakPolarHBondContact O-CB 3.4Å; F170-A173 PolarHBondContact O-N 2.99Å; A173-E175 VanDerWaalsContact C-N 3.35Å; A173-M176 WeakPolarHBondContact O-CB 3.45Å; A173-M176 PolarHBondContact O-N 3.34Å; A173-C177 PolarHBondContact O-N 3.39Å; A173-C177 PolarHBondContact O-SG 3.06Å; A173-L243 HydrophobicContact CB-CD2 3.58Å; A173-I250 HydrophobicContact CB-CD1 3.63Å; A173-Y326 HydrophobicContact CB-CE2 4.17Å
174	Q	94.4	Very high	93.2	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-40.6	175.7	-166.1	176.5	16.9	0	0	111.8	F170 R171 V172 C177 N178 H240	F170-Q174 WeakPolarHBondContact O-CB 3.31Å; F170-Q174 PolarHBondContact O-N 3.46Å; R171-Q174 PolarHBondContact O-N 2.95Å; V172-Q174 VanDerWaalsContact C-N 3.31Å; V172-Q174 PolarHBondContact O-N 3.12Å; Q174-C177 PolarHBondContact O-N 2.9Å; Q174-N178 WeakPolarHBondContact O-CB 3.41Å; Q174-N178 PolarHBondContact O-N 3.09Å; Q174-N178 PolarHBondContact O-ND2 3.49Å; Q174-H240 WeakPolarHBondContact CA-NE2 3.27Å; Q174-H240 WeakPolarHBondContact CB-NE2 3.41Å
175	E	95.8	Very high	93.9	Very high	50 Å²	50	45.9 Å²	45.9	23%	0.234	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-40.8	174.4	-178.4	69.6	-179.2	0	0	111.7	R171 V172 A173 C177 N178 T179 L322	R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 2.88Å; V172-E175 WeakPolarHBondContact O-CB 3.4Å; V172-E175 PolarHBondContact O-N 2.86Å; A173-E175 VanDerWaalsContact C-N 3.35Å; E175-C177 VanDerWaalsContact C-N 3.32Å; E175-C177 PolarHBondContact O-N 3.37Å; E175-N178 PolarHBondContact O-N 3.47Å; E175-T179 HydrophobicContact CG-CG2 4.06Å; E175-T179 WeakPolarHBondContact O-CB 3.43Å; E175-T179 VanDerWaalsContact O-CG2 3.25Å; E175-T179 WeakPolarHBondContact O-CG2 3.24Å; E175-T179 PolarHBondContact O-N 2.93Å; E175-T179 PolarHBondContact O-OG1 3.25Å; E175-T179 VanDerWaalsContact OE1-CG2 3.23Å; E175-T179 WeakPolarHBondContact OE1-CG2 3.31Å; E175-L322 HydrophobicContact CG-CD2 4Å
176	M	95.6	Very high	94.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-46.5	174	-69.8	174.2	175.3	0	0	111.3	V172 A173 T179 E180 L322 L323 Y326	V172-M176 HydrophobicContact CG1-CE 4.22Å; V172-M176 WeakPolarHBondContact O-CG 3.4Å; V172-M176 PolarHBondContact O-N 3.4Å; A173-M176 WeakPolarHBondContact O-CB 3.45Å; A173-M176 PolarHBondContact O-N 3.34Å; M176-T179 PolarHBondContact O-OG1 3.07Å; M176-E180 VanDerWaalsContact O-CB 3.3Å; M176-E180 WeakPolarHBondContact O-CB 3.36Å; M176-E180 PolarHBondContact O-N 3.5Å; M176-E180 VanDerWaalsContact O-N 3.09Å; M176-L322 HydrophobicContact CE-CB 3.8Å; M176-L322 HydrophobicContact CG-CB 4.05Å; M176-L322 HydrophobicContact CG-CD1 4.11Å; M176-L322 HydrophobicContact CG-CD2 4.32Å; M176-L322 HydrophobicContact CG-CG 4.39Å; M176-L323 HydrophobicContact CE-CD2 4.15Å; M176-L323 HydrophobicContact CE-CG 4.47Å; M176-Y326 HydrophobicContact CE-CD2 4.15Å; M176-Y326 HydrophobicContact CE-CG 4.04Å
177	C	96	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-47	179.6	-59.5	0	0	0	0	112.2	A173 Q174 E175 E180 R181 H240	A173-C177 PolarHBondContact O-N 3.39Å; A173-C177 PolarHBondContact O-SG 3.06Å; Q174-C177 PolarHBondContact O-N 2.9Å; E175-C177 VanDerWaalsContact C-N 3.32Å; E175-C177 PolarHBondContact O-N 3.37Å; C177-E180 PolarHBondContact O-N 3.48Å; C177-R181 WeakPolarHBondContact O-CB 3.32Å; C177-R181 PolarHBondContact O-N 3.03Å; C177-H240 VanDerWaalsContact SG-CB 3.55Å
178	N	96.7	Very high	95.6	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.353	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-43.4	-177.1	-71.1	-14.8	0	0	0	111.9	Q174 E175 R181 A182	Q174-N178 WeakPolarHBondContact O-CB 3.41Å; Q174-N178 PolarHBondContact O-N 3.09Å; Q174-N178 PolarHBondContact O-ND2 3.49Å; E175-N178 PolarHBondContact O-N 3.47Å; N178-R181 PolarHBondContact O-N 2.66Å; N178-R181 PolarHBondContact OD1-NH1 3.15Å; N178-R181 VanDerWaalsContact OD1-NH1 3.11Å; N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 3.32Å
179	T	97	Very high	95.9	Very high	31 Å²	31	41.9 Å²	41.9	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-32.9	179.1	60.1	0	0	0	0	112.5	E175 M176 Y183 R315	E175-T179 HydrophobicContact CG-CG2 4.06Å; E175-T179 WeakPolarHBondContact O-CB 3.43Å; E175-T179 VanDerWaalsContact O-CG2 3.25Å; E175-T179 WeakPolarHBondContact O-CG2 3.24Å; E175-T179 PolarHBondContact O-N 2.93Å; E175-T179 PolarHBondContact O-OG1 3.25Å; E175-T179 VanDerWaalsContact OE1-CG2 3.23Å; E175-T179 WeakPolarHBondContact OE1-CG2 3.31Å; M176-T179 PolarHBondContact O-OG1 3.07Å; T179-Y183 VanDerWaalsContact O-CB 3.27Å; T179-Y183 WeakPolarHBondContact O-CB 3.39Å; T179-Y183 PolarHBondContact O-N 2.72Å; T179-Y183 VanDerWaalsContact O-N 3.08Å; T179-R315 PolarHBondContact OG1-NH1 3.46Å
180	E	97.8	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-46.2	171.6	-171.4	70	-135.9	0	0	110.8	M176 C177 A182 Y183 V184 H229 I232 L236 R315 Y319	M176-E180 VanDerWaalsContact O-CB 3.3Å; M176-E180 WeakPolarHBondContact O-CB 3.36Å; M176-E180 PolarHBondContact O-N 3.5Å; M176-E180 VanDerWaalsContact O-N 3.09Å; C177-E180 PolarHBondContact O-N 3.48Å; E180-A182 PolarHBondContact O-N 2.89Å; E180-Y183 WeakPolarHBondContact O-CB 3.48Å; E180-Y183 PolarHBondContact O-N 3.35Å; E180-V184 WeakPolarHBondContact O-CG2 3.35Å; E180-V184 PolarHBondContact O-N 3.37Å; E180-H229 WeakPolarHBondContact OE1-CB 3.48Å; E180-H229 IonicContact OE1-CE1 3.85Å; E180-H229 IonicContact OE1-CG 2.69Å; E180-H229 IonicContact OE1-ND1 3.32Å; E180-H229 PolarHBondContact OE1-ND1 2.86Å; E180-I232 HydrophobicContact CG-CB 4.38Å; E180-I232 HydrophobicContact CG-CG2 3.94Å; E180-L236 HydrophobicContact CB-CD1 4.04Å; E180-L236 HydrophobicContact CG-CD1 4.15Å; E180-R315 IonicContact OE2-CZ 2.91Å; E180-R315 IonicContact OE2-NE 3.44Å; E180-R315 PolarHBondContact OE2-NE 2.91Å; E180-R315 IonicContact OE2-NH2 3.74Å; E180-R315 PolarHBondContact OE2-NH2 3.42Å; E180-Y319 PolarHBondContact OE1-OH 3.5Å; E180-Y319 WeakPolarHBondContact OE2-CE1 3.42Å; E180-Y319 PolarHBondContact OE2-OH 3.43Å
181	R	98.1	Very high	96.5	Very high	75 Å²	75	38.9 Å²	38.9	28%	0.283	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-48.5	178.4	-174.4	-176.9	-55.1	103.4	18.1	112.5	C177 N178 Y183 V184 E185	C177-R181 WeakPolarHBondContact O-CB 3.32Å; C177-R181 PolarHBondContact O-N 3.03Å; N178-R181 PolarHBondContact O-N 2.66Å; N178-R181 PolarHBondContact OD1-NH1 3.15Å; N178-R181 VanDerWaalsContact OD1-NH1 3.11Å; R181-Y183 PolarHBondContact O-N 2.88Å; R181-V184 PolarHBondContact O-N 3.34Å; R181-V184 VanDerWaalsContact O-N 3.15Å; R181-E185 WeakPolarHBondContact O-CG 3.28Å; R181-E185 PolarHBondContact O-N 2.84Å
182	A	97	Very high	96.8	Very high	36 Å²	36	32.2 Å²	32.2	30%	0.298	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-36.6	177.1	0	0	0	0	0	112.1	N178 E180 E185 T186	N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 3.32Å; E180-A182 PolarHBondContact O-N 2.89Å; A182-E185 PolarHBondContact O-N 3.38Å; A182-T186 PolarHBondContact O-N 3Å; A182-T186 PolarHBondContact O-OG1 3.01Å
183	Y	98	Very high	97	Very high	12 Å²	12	33.4 Å²	33.4	5%	0.047	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-43.8	173.8	176	-114.8	0	0	0	112.3	T179 E180 R181 E185 T186 L187 H229 C311 V312 R315	T179-Y183 VanDerWaalsContact O-CB 3.27Å; T179-Y183 WeakPolarHBondContact O-CB 3.39Å; T179-Y183 PolarHBondContact O-N 2.72Å; T179-Y183 VanDerWaalsContact O-N 3.08Å; E180-Y183 WeakPolarHBondContact O-CB 3.48Å; E180-Y183 PolarHBondContact O-N 3.35Å; R181-Y183 PolarHBondContact O-N 2.88Å; Y183-E185 VanDerWaalsContact C-N 3.34Å; Y183-E185 PolarHBondContact O-N 2.99Å; Y183-T186 WeakPolarHBondContact O-CB 3.31Å; Y183-T186 PolarHBondContact O-N 3.12Å; Y183-T186 VanDerWaalsContact O-N 3.16Å; Y183-L187 HydrophobicContact CD1-CD1 4.17Å; Y183-L187 HydrophobicContact CE1-CD1 3.51Å; Y183-L187 HydrophobicContact CE1-CG 4.1Å; Y183-L187 HydrophobicContact CE2-CD1 4.35Å; Y183-L187 HydrophobicContact CE2-CD2 4.21Å; Y183-L187 HydrophobicContact CE2-CG 4.08Å; Y183-L187 PolarHBondContact O-N 2.95Å; Y183-H229 HydrophobicContact CD1-CB 4.25Å; Y183-H229 AromaticContact CD1-CG 3.97Å; Y183-H229 AromaticContact CD1-ND1 3.79Å; Y183-H229 HydrophobicContact CE1-CB 4.08Å; Y183-H229 AromaticContact CE1-CD2 3.62Å; Y183-H229 AromaticContact CE1-CE1 3.59Å; Y183-H229 AromaticContact CE1-CG 3.47Å; Y183-H229 VanDerWaalsContact CE1-CG 3.47Å; Y183-H229 AromaticContact CE1-ND1 3.46Å; Y183-H229 WeakPolarHBondContact CE1-ND1 3.22Å; Y183-H229 AromaticContact CE1-NE2 3.69Å; Y183-C311 HydrophobicContact CD2-CB 4.18Å; Y183-C311 HydrophobicContact CE2-CB 3.93Å; Y183-C311 WeakPolarHBondContact CE2-O 3.41Å; Y183-C311 VanDerWaalsContact CE2-SG 3.53Å; Y183-V312 WeakPolarHBondContact OH-CA 3.33Å; Y183-V312 WeakPolarHBondContact OH-CG2 3.26Å; Y183-R315 HydrophobicContact CD1-CB 4.26Å; Y183-R315 HydrophobicContact CD1-CG 3.71Å; Y183-R315 HydrophobicContact CD2-CB 4.19Å; Y183-R315 HydrophobicContact CD2-CG 4.45Å; Y183-R315 HydrophobicContact CE1-CB 3.96Å; Y183-R315 HydrophobicContact CE1-CG 3.67Å; Y183-R315 HydrophobicContact CE2-CB 3.9Å; Y183-R315 HydrophobicContact CE2-CG 4.42Å; Y183-R315 HydrophobicContact CG-CB 4.36Å; Y183-R315 HydrophobicContact CG-CG 4.11Å
184	V	98.3	Very high	97.3	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-39.3	175.5	172.3	0	0	0	0	112.1	E180 R181 T186 L187 R188 H229 Q230	E180-V184 WeakPolarHBondContact O-CG2 3.35Å; E180-V184 PolarHBondContact O-N 3.37Å; R181-V184 PolarHBondContact O-N 3.34Å; R181-V184 VanDerWaalsContact O-N 3.15Å; V184-T186 VanDerWaalsContact C-N 3.32Å; V184-T186 PolarHBondContact O-N 3.19Å; V184-L187 PolarHBondContact O-N 2.97Å; V184-R188 WeakPolarHBondContact O-CB 3.33Å; V184-R188 PolarHBondContact O-N 3.31Å; V184-H229 HydrophobicContact CG2-CB 3.73Å; V184-H229 VanDerWaalsContact CG2-O 3.23Å; V184-H229 WeakPolarHBondContact CG2-O 3.47Å; V184-Q230 HydrophobicContact CG1-CB 4.19Å
185	E	97.8	Very high	97.4	Very high	117 Å²	117	29.8 Å²	29.8	55%	0.547	15%	0.147	S	C	.	.	H	α-helix	trans	-61.2	-41.5	172.6	-73.1	169.4	-169.1	0	0	111.3	R181 A182 Y183 R188 A189	R181-E185 WeakPolarHBondContact O-CG 3.28Å; R181-E185 PolarHBondContact O-N 2.84Å; A182-E185 PolarHBondContact O-N 3.38Å; Y183-E185 VanDerWaalsContact C-N 3.34Å; Y183-E185 PolarHBondContact O-N 2.99Å; E185-R188 WeakPolarHBondContact O-CB 3.38Å; E185-R188 PolarHBondContact O-N 3.24Å; E185-A189 PolarHBondContact O-N 3.45Å
186	T	97.3	Very high	97.5	Very high	19 Å²	19	30.9 Å²	30.9	12%	0.117	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-46	174.7	-55.1	0	0	0	0	111.2	A182 Y183 V184 R188 A189 L190	A182-T186 PolarHBondContact O-N 3Å; A182-T186 PolarHBondContact O-OG1 3.01Å; Y183-T186 WeakPolarHBondContact O-CB 3.31Å; Y183-T186 PolarHBondContact O-N 3.12Å; Y183-T186 VanDerWaalsContact O-N 3.16Å; V184-T186 VanDerWaalsContact C-N 3.32Å; V184-T186 PolarHBondContact O-N 3.19Å; T186-R188 VanDerWaalsContact C-N 3.3Å; T186-R188 PolarHBondContact O-N 3.28Å; T186-A189 WeakPolarHBondContact O-CB 3.43Å; T186-A189 PolarHBondContact O-N 2.98Å; T186-L190 HydrophobicContact CG2-CD1 4.27Å; T186-L190 WeakPolarHBondContact O-CG 3.45Å; T186-L190 PolarHBondContact O-N 3.02Å
187	L	98.1	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-36.8	175.7	-72.3	-177	0	0	0	112.4	Y183 V184 L190 S191 L222 R226 H229 V312	Y183-L187 HydrophobicContact CD1-CD1 4.17Å; Y183-L187 HydrophobicContact CE1-CD1 3.51Å; Y183-L187 HydrophobicContact CE1-CG 4.1Å; Y183-L187 HydrophobicContact CE2-CD1 4.35Å; Y183-L187 HydrophobicContact CE2-CD2 4.21Å; Y183-L187 HydrophobicContact CE2-CG 4.08Å; Y183-L187 PolarHBondContact O-N 2.95Å; V184-L187 PolarHBondContact O-N 2.97Å; L187-L190 PolarHBondContact O-N 3.15Å; L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.45Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.36Å; L187-L222 HydrophobicContact CD2-CD2 4.02Å; L187-R226 HydrophobicContact CB-CB 4.08Å; L187-R226 HydrophobicContact CB-CG 4.13Å; L187-R226 HydrophobicContact CD1-CB 4.39Å; L187-H229 HydrophobicContact CD1-CB 4.08Å; L187-V312 HydrophobicContact CD2-CG2 4.15Å
188	R	98.2	Very high	97.7	Very high	128 Å²	128	33 Å²	33	48%	0.483	16%	0.164	S	C	.	.	H	α-helix	trans	-66	-44.5	174.4	-175.5	-173.1	-177.4	117.2	1.1	111.4	V184 E185 T186 L190 S191 V192 D193	V184-R188 WeakPolarHBondContact O-CB 3.33Å; V184-R188 PolarHBondContact O-N 3.31Å; E185-R188 WeakPolarHBondContact O-CB 3.38Å; E185-R188 PolarHBondContact O-N 3.24Å; T186-R188 VanDerWaalsContact C-N 3.3Å; T186-R188 PolarHBondContact O-N 3.28Å; R188-L190 PolarHBondContact O-N 2.92Å; R188-S191 PolarHBondContact O-N 3.46Å; R188-V192 HydrophobicContact CG-CB 4.21Å; R188-V192 WeakPolarHBondContact O-CA 3.11Å; R188-V192 WeakPolarHBondContact O-CB 3.42Å; R188-V192 PolarHBondContact O-N 3.18Å; R188-D193 IonicContact NE-OD1 3.68Å; R188-D193 PolarHBondContact O-N 3.26Å
189	A	97.9	Very high	97.6	Very high	7 Å²	7	36.6 Å²	36.6	6%	0.058	17%	0.173	C	C	.	.	I	π-helix	trans	-56.3	-43	176.2	0	0	0	0	0	111	E185 T186 F194 F295 F300	E185-A189 PolarHBondContact O-N 3.45Å; T186-A189 WeakPolarHBondContact O-CB 3.43Å; T186-A189 PolarHBondContact O-N 2.98Å; A189-F194 VanDerWaalsContact O-CB 3.31Å; A189-F194 WeakPolarHBondContact O-CB 3.42Å; A189-F194 PolarHBondContact O-N 3.01Å; A189-F295 WeakPolarHBondContact O-CZ 3.41Å; A189-F300 HydrophobicContact CB-CE1 3.97Å; A189-F300 HydrophobicContact CB-CZ 3.97Å
190	L	97.7	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.195	C	C	.	.	I	π-helix	trans	-73.9	-43.2	-179.4	-66	170.1	0	0	0	114.1	T186 L187 R188 P195 L222 F300 L305 Q308 L309	T186-L190 HydrophobicContact CG2-CD1 4.27Å; T186-L190 WeakPolarHBondContact O-CG 3.45Å; T186-L190 PolarHBondContact O-N 3.02Å; L187-L190 PolarHBondContact O-N 3.15Å; R188-L190 PolarHBondContact O-N 2.92Å; L190-P195 WeakPolarHBondContact O-CD 3.41Å; L190-L222 HydrophobicContact CB-CD1 3.64Å; L190-L222 HydrophobicContact CD1-CD1 4.22Å; L190-F300 HydrophobicContact CD2-CE2 4.13Å; L190-F300 HydrophobicContact CD2-CZ 3.76Å; L190-F300 HydrophobicContact CG-CZ 4.19Å; L190-L305 HydrophobicContact CD2-CD1 4.09Å; L190-L305 HydrophobicContact CD2-CD2 4.12Å; L190-L305 HydrophobicContact CD2-CG 3.65Å; L190-Q308 HydrophobicContact CD1-CB 4.24Å; L190-Q308 HydrophobicContact CD2-CB 4.06Å; L190-L309 HydrophobicContact CD1-CD2 4.22Å; L190-L309 HydrophobicContact CD2-CD2 4.34Å
191	S	97	Very high	97.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-98.9	-15.5	-168.5	65.6	0	0	0	0	115.1	L187 R188 S219 R226	L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.45Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.36Å; R188-S191 PolarHBondContact O-N 3.46Å; S191-S219 WeakPolarHBondContact O-CB 3.42Å; S191-S219 PolarHBondContact O-OG 3.11Å; S191-R226 WeakPolarHBondContact OG-CD 3.42Å; S191-R226 PolarHBondContact OG-NE 2.98Å
192	V	98.1	Very high	97.4	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.2	21%	0.208	C	C	.	.	I	π-helix	trans	-126.6	-57.2	-177.2	179.7	0	0	0	0	110.8	R188 P195 N196	R188-V192 HydrophobicContact CG-CB 4.21Å; R188-V192 WeakPolarHBondContact O-CA 3.11Å; R188-V192 WeakPolarHBondContact O-CB 3.42Å; R188-V192 PolarHBondContact O-N 3.18Å; V192-P195 WeakPolarHBondContact O-CD 3.36Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.34Å; V192-N196 VanDerWaalsContact O-CB 3.31Å; V192-N196 WeakPolarHBondContact O-CB 3.11Å; V192-N196 PolarHBondContact O-N 3.07Å; V192-N196 PolarHBondContact O-ND2 3.04Å; V192-N196 VanDerWaalsContact O-ND2 3.15Å
193	D	98.1	Very high	97.3	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.214	23%	0.232	C	C	.	.	I	π-helix	trans	-70.5	-44.2	-170.4	-55.1	-23.5	0	0	0	111.5	R188 N196 F197 F295	R188-D193 IonicContact NE-OD1 3.68Å; R188-D193 PolarHBondContact O-N 3.26Å; D193-N196 PolarHBondContact O-N 3.41Å; D193-F197 VanDerWaalsContact O-CB 3.23Å; D193-F197 WeakPolarHBondContact O-CB 3.32Å; D193-F197 PolarHBondContact O-N 2.9Å; D193-F295 HydrophobicContact CB-CE2 4.29Å; D193-F295 HydrophobicContact CB-CZ 4.31Å
194	F	98	Very high	97.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-49.8	175.8	174.4	-103	0	0	0	112.5	A189 N196 F197 I198 V214 A215 L218 F288 L292 F295 L305	A189-F194 VanDerWaalsContact O-CB 3.31Å; A189-F194 WeakPolarHBondContact O-CB 3.42Å; A189-F194 PolarHBondContact O-N 3.01Å; F194-N196 VanDerWaalsContact C-N 3.31Å; F194-N196 PolarHBondContact O-N 3.18Å; F194-F197 WeakPolarHBondContact O-CB 3.41Å; F194-F197 PolarHBondContact O-N 3.29Å; F194-F197 VanDerWaalsContact O-N 3.17Å; F194-I198 HydrophobicContact CD1-CG1 4.44Å; F194-I198 HydrophobicContact CD2-CG1 4.11Å; F194-I198 HydrophobicContact CE1-CG1 3.97Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 3.61Å; F194-I198 HydrophobicContact CZ-CD1 3.9Å; F194-I198 HydrophobicContact CZ-CG1 3.53Å; F194-I198 WeakPolarHBondContact O-CG1 3.39Å; F194-I198 PolarHBondContact O-N 3.27Å; F194-V214 HydrophobicContact CE1-CG1 4.36Å; F194-A215 HydrophobicContact CE1-CB 4.35Å; F194-L218 HydrophobicContact CD1-CD1 3.67Å; F194-L218 HydrophobicContact CE1-CD1 3.62Å; F194-F288 AromaticContact CZ-CE2 3.9Å; F194-F288 HydrophobicContact CZ-CE2 3.9Å; F194-F288 HydrophobicContact CZ-CZ 4.1Å; F194-L292 HydrophobicContact CD2-CD1 4.33Å; F194-L292 HydrophobicContact CE2-CD1 3.53Å; F194-L292 HydrophobicContact CZ-CD1 3.94Å; F194-F295 HydrophobicContact CB-CD1 4.32Å; F194-F295 HydrophobicContact CB-CD2 4.5Å; F194-F295 HydrophobicContact CB-CE1 3.75Å; F194-F295 HydrophobicContact CB-CE2 3.95Å; F194-F295 HydrophobicContact CB-CZ 3.54Å; F194-F295 HydrophobicContact CD2-CB 4.34Å; F194-F295 AromaticContact CD2-CD1 3.76Å; F194-F295 HydrophobicContact CD2-CD1 3.76Å; F194-F295 HydrophobicContact CD2-CD2 4.18Å; F194-F295 HydrophobicContact CD2-CE1 4.07Å; F194-F295 HydrophobicContact CD2-CE2 4.45Å; F194-F295 AromaticContact CD2-CG 3.82Å; F194-F295 HydrophobicContact CD2-CG 3.82Å; F194-F295 HydrophobicContact CD2-CZ 4.4Å; F194-F295 HydrophobicContact CG-CD1 4.48Å; F194-F295 HydrophobicContact CG-CE1 4.35Å; F194-F295 HydrophobicContact CG-CZ 4.49Å; F194-L305 HydrophobicContact CB-CD1 4.41Å; F194-L305 HydrophobicContact CD1-CD1 4.08Å; F194-L305 HydrophobicContact CD2-CD1 3.81Å; F194-L305 HydrophobicContact CE1-CD1 4.3Å; F194-L305 HydrophobicContact CE2-CD1 4.04Å; F194-L305 HydrophobicContact CG-CD1 3.83Å; F194-L305 HydrophobicContact CZ-CD1 4.26Å
195	P	97.3	Very high	97	Very high	2 Å²	2	56 Å²	56	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-38.5	175.5	-27.4	36.1	0	0	0	114	L190 V192 R199 A215	L190-P195 WeakPolarHBondContact O-CD 3.41Å; V192-P195 WeakPolarHBondContact O-CD 3.36Å; P195-R199 VanDerWaalsContact O-CB 3.31Å; P195-R199 WeakPolarHBondContact O-CB 3.23Å; P195-R199 PolarHBondContact O-N 2.9Å; P195-A215 HydrophobicContact CB-CB 4.07Å; P195-A215 HydrophobicContact CG-CB 4.47Å; P195-A215 VanDerWaalsContact CG-O 3.27Å; P195-A215 WeakPolarHBondContact CG-O 3.34Å
196	N	97.7	Very high	96.8	Very high	73 Å²	73	57 Å²	57	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-41.5	174.9	-70.2	-20.1	0	0	0	111.8	V192 D193 F194 R199 Q200	V192-N196 WeakPolarHBondContact CG1-ND2 3.34Å; V192-N196 VanDerWaalsContact O-CB 3.31Å; V192-N196 WeakPolarHBondContact O-CB 3.11Å; V192-N196 PolarHBondContact O-N 3.07Å; V192-N196 PolarHBondContact O-ND2 3.04Å; V192-N196 VanDerWaalsContact O-ND2 3.15Å; D193-N196 PolarHBondContact O-N 3.41Å; F194-N196 VanDerWaalsContact C-N 3.31Å; F194-N196 PolarHBondContact O-N 3.18Å; N196-R199 PolarHBondContact O-N 3.33Å; N196-R199 PolarHBondContact OD1-NH1 3.02Å; N196-Q200 WeakPolarHBondContact O-CB 3.49Å; N196-Q200 PolarHBondContact O-N 3.01Å
197	F	97.6	Very high	96.7	Very high	39 Å²	39	62.8 Å²	62.8	17%	0.171	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-47.7	176.5	172.7	-95.6	0	0	0	111.7	D193 F194 Q200 R201 A291 F295	D193-F197 VanDerWaalsContact O-CB 3.23Å; D193-F197 WeakPolarHBondContact O-CB 3.32Å; D193-F197 PolarHBondContact O-N 2.9Å; F194-F197 WeakPolarHBondContact O-CB 3.41Å; F194-F197 PolarHBondContact O-N 3.29Å; F194-F197 VanDerWaalsContact O-N 3.17Å; F197-Q200 PolarHBondContact O-N 2.85Å; F197-R201 HydrophobicContact CD1-CG 4.49Å; F197-R201 HydrophobicContact CE1-CG 4.13Å; F197-R201 HydrophobicContact CE2-CG 4.25Å; F197-R201 HydrophobicContact CZ-CG 4.02Å; F197-R201 WeakPolarHBondContact O-CB 3.48Å; F197-R201 WeakPolarHBondContact O-CG 3.17Å; F197-R201 PolarHBondContact O-N 3.32Å; F197-A291 HydrophobicContact CE1-CB 4.07Å; F197-A291 VanDerWaalsContact CE1-O 3.26Å; F197-A291 WeakPolarHBondContact CE1-O 3.35Å; F197-F295 HydrophobicContact CB-CD2 3.95Å; F197-F295 HydrophobicContact CB-CE2 4.18Å; F197-F295 HydrophobicContact CD1-CB 4.06Å; F197-F295 AromaticContact CD1-CD2 3.85Å; F197-F295 HydrophobicContact CD1-CD2 3.85Å; F197-F295 HydrophobicContact CD1-CG 4.33Å; F197-F295 HydrophobicContact CD2-CD2 4.26Å; F197-F295 HydrophobicContact CE1-CB 3.87Å; F197-F295 HydrophobicContact CE1-CD2 4.42Å; F197-F295 AromaticContact CG-CD2 3.76Å; F197-F295 HydrophobicContact CG-CD2 3.76Å; F197-F295 HydrophobicContact CG-CE2 4.46Å; F197-F295 HydrophobicContact CZ-CB 4.32Å
198	I	97.5	Very high	96.5	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176.3	-68	-60.2	0	0	0	110.9	F194 Q200 R201 A202 V208 A215 F288 A291	F194-I198 HydrophobicContact CD1-CG1 4.44Å; F194-I198 HydrophobicContact CD2-CG1 4.11Å; F194-I198 HydrophobicContact CE1-CG1 3.97Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 3.61Å; F194-I198 HydrophobicContact CZ-CD1 3.9Å; F194-I198 HydrophobicContact CZ-CG1 3.53Å; F194-I198 WeakPolarHBondContact O-CG1 3.39Å; F194-I198 PolarHBondContact O-N 3.27Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 3.01Å; I198-R201 PolarHBondContact O-N 3.45Å; I198-A202 VanDerWaalsContact O-CB 3.27Å; I198-A202 WeakPolarHBondContact O-CB 3.37Å; I198-A202 PolarHBondContact O-N 3.42Å; I198-V208 HydrophobicContact CD1-CG1 3.87Å; I198-V208 HydrophobicContact CG2-CG1 4.27Å; I198-A215 HydrophobicContact CB-CB 4.01Å; I198-A215 HydrophobicContact CG1-CB 4.34Å; I198-A215 HydrophobicContact CG2-CB 3.95Å; I198-F288 HydrophobicContact CD1-CD2 4.02Å; I198-F288 HydrophobicContact CD1-CE2 3.98Å; I198-F288 HydrophobicContact CG1-CE2 4.46Å; I198-A291 HydrophobicContact CD1-CB 4.09Å
199	R	96	Very high	96.4	Very high	143 Å²	143	60.6 Å²	60.6	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-43.9	177	-169.8	-178.1	-55.3	105.1	4.6	111.9	P195 N196 A202 L203	P195-R199 VanDerWaalsContact O-CB 3.31Å; P195-R199 WeakPolarHBondContact O-CB 3.23Å; P195-R199 PolarHBondContact O-N 2.9Å; N196-R199 PolarHBondContact O-N 3.33Å; N196-R199 PolarHBondContact OD1-NH1 3.02Å; R199-A202 PolarHBondContact O-N 2.89Å; R199-L203 PolarHBondContact O-N 3.18Å
200	Q	96.3	Very high	96.2	Very high	142 Å²	142	60.4 Å²	60.4	66%	0.664	30%	0.297	S	S	*	.	H	α-helix	trans	-65.5	-42.8	178.4	-172.6	179.4	14.1	0	0	111.8	N196 F197 I198 A202 L203	N196-Q200 WeakPolarHBondContact O-CB 3.49Å; N196-Q200 PolarHBondContact O-N 3.01Å; F197-Q200 PolarHBondContact O-N 2.85Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 3.01Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; Q200-L203 PolarHBondContact O-N 3.43Å
201	R	95.9	Very high	96	Very high	115 Å²	115	67 Å²	67	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-36.9	175.1	-72.3	-74.3	-170.3	148.1	3.3	111.9	F197 I198 L203 A204 D205 V208	F197-R201 HydrophobicContact CD1-CG 4.49Å; F197-R201 HydrophobicContact CE1-CG 4.13Å; F197-R201 HydrophobicContact CE2-CG 4.25Å; F197-R201 HydrophobicContact CZ-CG 4.02Å; F197-R201 WeakPolarHBondContact O-CB 3.48Å; F197-R201 WeakPolarHBondContact O-CG 3.17Å; F197-R201 PolarHBondContact O-N 3.32Å; I198-R201 PolarHBondContact O-N 3.45Å; R201-L203 VanDerWaalsContact C-N 3.26Å; R201-L203 PolarHBondContact O-N 2.97Å; R201-A204 PolarHBondContact O-N 3.41Å; R201-A204 VanDerWaalsContact O-N 3.09Å; R201-D205 PolarHBondContact O-N 3.28Å; R201-V208 HydrophobicContact CB-CG1 4.09Å; R201-V208 HydrophobicContact CB-CG2 4.32Å
202	A	95.2	Very high	95.8	Very high	15 Å²	15	70 Å²	70	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-25.4	178.4	0	0	0	0	0	113.8	I198 R199 Q200 A204 D205 H206 M209	I198-A202 VanDerWaalsContact O-CB 3.27Å; I198-A202 WeakPolarHBondContact O-CB 3.37Å; I198-A202 PolarHBondContact O-N 3.42Å; R199-A202 PolarHBondContact O-N 2.89Å; Q200-A202 VanDerWaalsContact C-N 3.32Å; A202-A204 VanDerWaalsContact C-N 3.31Å; A202-D205 WeakPolarHBondContact CA-O 3.41Å; A202-D205 CarbonylContact O-C 3.49Å; A202-H206 PolarHBondContact O-N 3.29Å; A202-M209 HydrophobicContact CB-CG 3.59Å; A202-M209 HydrophobicContact CB-SD 4.06Å
203	L	95.4	Very high	95.7	Very high	153 Å²	153	71.2 Å²	71.2	80%	0.801	35%	0.352	S	S	*	.	H	α-helix	trans	-67.4	-32.3	172.7	-64.8	174.6	0	0	0	112.3	R199 Q200 R201	R199-L203 PolarHBondContact O-N 3.18Å; Q200-L203 PolarHBondContact O-N 3.43Å; R201-L203 VanDerWaalsContact C-N 3.26Å; R201-L203 PolarHBondContact O-N 2.97Å
204	A	94.7	Very high	95.5	Very high	96 Å²	96	69.3 Å²	69.3	79%	0.793	34%	0.342	S	S	*	.	H	α-helix	trans	-90	-37.2	178	0	0	0	0	0	112.3	R201 A202	R201-A204 PolarHBondContact O-N 3.41Å; R201-A204 VanDerWaalsContact O-N 3.09Å; A202-A204 VanDerWaalsContact C-N 3.31Å
205	D	95	Very high	95.4	Very high	45 Å²	45	69.6 Å²	69.6	24%	0.241	34%	0.344	C	S	.	.			trans	-140.7	102.7	177.9	-170.3	-11.4	0	0	0	110.7	R201 A202 R207 V208	R201-D205 PolarHBondContact O-N 3.28Å; A202-D205 WeakPolarHBondContact CA-O 3.41Å; A202-D205 CarbonylContact O-C 3.49Å; D205-R207 PolarHBondContact O-N 3.24Å; D205-R207 VanDerWaalsContact O-N 3.09Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.31Å; D205-R207 WeakPolarHBondContact OD1-CG 3.44Å; D205-R207 IonicContact OD1-CZ 3.78Å; D205-R207 PolarHBondContact OD1-N 2.88Å; D205-R207 IonicContact OD1-NE 2.88Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 2.85Å; D205-R207 IonicContact OD2-CZ 2.84Å; D205-R207 IonicContact OD2-NE 3.97Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 IonicContact OD2-NH2 3.23Å; D205-R207 PolarHBondContact OD2-NH2 3.43Å; D205-V208 HydrophobicContact CB-CG2 4.26Å; D205-V208 WeakPolarHBondContact O-CB 3.37Å; D205-V208 WeakPolarHBondContact O-CG2 3.31Å; D205-V208 PolarHBondContact O-N 3.46Å; D205-V208 VanDerWaalsContact O-N 3.16Å
206	H	93.7	Very high	95.3	Very high	138 Å²	138	75.1 Å²	75.1	64%	0.639	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-60.6	-20.5	-179.4	-172.7	65.3	0	0	0	113.4	A202 V208 M209	A202-H206 PolarHBondContact O-N 3.29Å; H206-V208 PolarHBondContact O-N 2.73Å; H206-V208 VanDerWaalsContact O-N 3.14Å; H206-M209 PolarHBondContact CE1-SD 2.61Å; H206-M209 PolarHBondContact ND1-SD 3.2Å; H206-M209 WeakPolarHBondContact O-CB 3.47Å; H206-M209 PolarHBondContact O-N 3.46Å
207	R	94.5	Very high	95.2	Very high	142 Å²	142	73.5 Å²	73.5	54%	0.536	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-67.5	-11.2	178.2	-60.7	174.3	-67.6	171.1	-5.3	113.7	D205 E287	D205-R207 PolarHBondContact O-N 3.24Å; D205-R207 VanDerWaalsContact O-N 3.09Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.31Å; D205-R207 WeakPolarHBondContact OD1-CG 3.44Å; D205-R207 IonicContact OD1-CZ 3.78Å; D205-R207 PolarHBondContact OD1-N 2.88Å; D205-R207 IonicContact OD1-NE 2.88Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 2.85Å; D205-R207 IonicContact OD2-CZ 2.84Å; D205-R207 IonicContact OD2-NE 3.97Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 IonicContact OD2-NH2 3.23Å; D205-R207 PolarHBondContact OD2-NH2 3.43Å; R207-E287 HydrophobicContact CB-CB 3.98Å; R207-E287 HydrophobicContact CB-CG 3.86Å; R207-E287 IonicContact CZ-OE1 3.21Å; R207-E287 VanDerWaalsContact CZ-OE1 3.24Å; R207-E287 IonicContact NE-OE1 3.17Å; R207-E287 IonicContact NH1-OE1 2.96Å; R207-E287 PolarHBondContact NH1-OE1 2.85Å
208	V	95.5	Very high	95.2	Very high	8 Å²	8	71.6 Å²	71.6	5%	0.048	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-72.1	-20.3	171.8	-179.5	0	0	0	0	111.5	I198 R201 D205 H206 E287 F288 A291	I198-V208 HydrophobicContact CD1-CG1 3.87Å; I198-V208 HydrophobicContact CG2-CG1 4.27Å; R201-V208 HydrophobicContact CB-CG1 4.09Å; R201-V208 HydrophobicContact CB-CG2 4.32Å; D205-V208 HydrophobicContact CB-CG2 4.26Å; D205-V208 WeakPolarHBondContact O-CB 3.37Å; D205-V208 WeakPolarHBondContact O-CG2 3.31Å; D205-V208 PolarHBondContact O-N 3.46Å; D205-V208 VanDerWaalsContact O-N 3.16Å; H206-V208 PolarHBondContact O-N 2.73Å; H206-V208 VanDerWaalsContact O-N 3.14Å; V208-E287 HydrophobicContact CG2-CB 4.21Å; V208-F288 WeakPolarHBondContact O-CB 3.48Å; V208-F288 WeakPolarHBondContact O-CD2 3.41Å; V208-A291 HydrophobicContact CG1-CB 3.8Å
209	M	94.6	Very high	95.1	Very high	73 Å²	73	73 Å²	73	36%	0.36	36%	0.361	S	S	.	.			trans	-72	146.4	176.1	-64.2	-171.8	62.8	0	0	111.6	A202 H206	A202-M209 HydrophobicContact CB-CG 3.59Å; A202-M209 HydrophobicContact CB-SD 4.06Å; H206-M209 PolarHBondContact CE1-SD 2.61Å; H206-M209 PolarHBondContact ND1-SD 3.2Å; H206-M209 WeakPolarHBondContact O-CB 3.47Å; H206-M209 PolarHBondContact O-N 3.46Å
210	T	95.4	Very high	95.1	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.018	36%	0.359	C	S	.	.			trans	-122.1	157.9	-175.1	52.2	0	0	0	0	110.7	P212 V214 A281 Y285 F288	T210-P212 CarbonylContact C-O 3.51Å; T210-P212 CarbonylContact O-C 3.59Å; T210-P212 PolarHBondContact OG1-O 3.19Å; T210-V214 HydrophobicContact CG2-CG2 4.44Å; T210-V214 WeakPolarHBondContact OG1-CG2 3.41Å; T210-V214 PolarHBondContact OG1-N 2.6Å; T210-A281 HydrophobicContact CG2-CB 3.86Å; T210-Y285 HydrophobicContact CG2-CD2 3.8Å; T210-Y285 HydrophobicContact CG2-CE2 4.37Å; T210-Y285 HydrophobicContact CG2-CG 4.08Å; T210-F288 HydrophobicContact CG2-CB 3.74Å; T210-F288 HydrophobicContact CG2-CD1 3.73Å; T210-F288 HydrophobicContact CG2-CD2 3.49Å; T210-F288 VanDerWaalsContact CG2-CD2 3.49Å; T210-F288 HydrophobicContact CG2-CE1 4.22Å; T210-F288 HydrophobicContact CG2-CE2 3.99Å; T210-F288 HydrophobicContact CG2-CG 3.35Å; T210-F288 HydrophobicContact CG2-CZ 4.33Å
211	Q	92.1	Very high	95.1	Very high	139 Å²	139	67.4 Å²	67.4	65%	0.65	34%	0.335	S	S	*	.	S	Bend	trans	-125.4	118.7	169.5	-69.3	-65.2	-29.1	0	0	109.6	Y285	Q211-Y285 PolarHBondContact N-OH 3.13Å
212	P	93.2	Very high	95.1	Very high	64 Å²	64	61.9 Å²	61.9	42%	0.416	31%	0.314	S	S	.	.	S	Bend	cis	-65.4	163.2	-5.9	32.2	-37.2	0	0	0	112.3	T210 V214 I277	T210-P212 CarbonylContact C-O 3.51Å; T210-P212 CarbonylContact O-C 3.59Å; T210-P212 PolarHBondContact OG1-O 3.19Å; P212-V214 PolarHBondContact O-N 3.09Å; P212-I277 HydrophobicContact CG-CD1 4.33Å; P212-I277 HydrophobicContact CG-CG1 4.46Å; P212-I277 HydrophobicContact CG-CG2 3.62Å
213	D	95.7	Very high	95.2	Very high	59 Å²	59	63.5 Å²	63.5	32%	0.316	32%	0.32	S	S	.	.			trans	-69.2	96.5	179.8	-177.3	-13.8	0	0	0	111.2	A215 F216 E217	D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 3.36Å; D213-A215 WeakPolarHBondContact OD1-CB 3.48Å; D213-A215 PolarHBondContact OD1-N 3.48Å; D213-F216 HydrophobicContact CB-CB 3.91Å; D213-F216 VanDerWaalsContact CG-CB 3.42Å; D213-F216 PolarHBondContact O-N 2.97Å; D213-F216 PolarHBondContact OD1-N 3.37Å; D213-F216 WeakPolarHBondContact OD2-CB 3.45Å; D213-E217 WeakPolarHBondContact O-CG 3.42Å; D213-E217 PolarHBondContact O-N 3Å
214	V	95.2	Very high	95.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-40.5	-179.7	175.5	0	0	0	0	112.6	F194 T210 P212 E217 L218 I277 I278 A281 F288	F194-V214 HydrophobicContact CE1-CG1 4.36Å; T210-V214 HydrophobicContact CG2-CG2 4.44Å; T210-V214 WeakPolarHBondContact OG1-CG2 3.41Å; T210-V214 PolarHBondContact OG1-N 2.6Å; P212-V214 PolarHBondContact O-N 3.09Å; V214-E217 PolarHBondContact O-N 3.41Å; V214-L218 HydrophobicContact CG1-CD1 4.07Å; V214-L218 PolarHBondContact O-N 2.99Å; V214-I277 HydrophobicContact CG2-CG2 3.98Å; V214-I278 HydrophobicContact CG1-CG1 3.53Å; V214-A281 HydrophobicContact CG2-CB 3.78Å; V214-F288 HydrophobicContact CB-CE2 4.34Å; V214-F288 HydrophobicContact CB-CZ 4.08Å; V214-F288 HydrophobicContact CG1-CE2 4.48Å; V214-F288 HydrophobicContact CG1-CZ 3.92Å; V214-F288 HydrophobicContact CG2-CZ 4.19Å
215	A	95.2	Very high	95.3	Very high	5 Å²	5	54.4 Å²	54.4	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-44.1	-176.8	0	0	0	0	0	110.7	F194 P195 I198 D213 S219	F194-A215 HydrophobicContact CE1-CB 4.35Å; P195-A215 HydrophobicContact CB-CB 4.07Å; P195-A215 HydrophobicContact CG-CB 4.47Å; P195-A215 VanDerWaalsContact CG-O 3.27Å; P195-A215 WeakPolarHBondContact CG-O 3.34Å; I198-A215 HydrophobicContact CB-CB 4.01Å; I198-A215 HydrophobicContact CG1-CB 4.34Å; I198-A215 HydrophobicContact CG2-CB 3.95Å; D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 3.36Å; D213-A215 WeakPolarHBondContact OD1-CB 3.48Å; D213-A215 PolarHBondContact OD1-N 3.48Å; A215-S219 PolarHBondContact O-N 3.24Å; A215-S219 VanDerWaalsContact O-N 3.15Å
216	F	96	Very high	95.5	Very high	118 Å²	118	54.2 Å²	54.2	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-44.8	173.9	179.4	-101.9	0	0	0	111.9	D213 L218 S219 R220	D213-F216 HydrophobicContact CB-CB 3.91Å; D213-F216 VanDerWaalsContact CG-CB 3.42Å; D213-F216 PolarHBondContact O-N 2.97Å; D213-F216 PolarHBondContact OD1-N 3.37Å; D213-F216 WeakPolarHBondContact OD2-CB 3.45Å; F216-L218 PolarHBondContact O-N 3.11Å; F216-S219 PolarHBondContact O-N 3.08Å; F216-R220 WeakPolarHBondContact O-CB 3.39Å; F216-R220 PolarHBondContact O-N 2.99Å
217	E	95.4	Very high	95.6	Very high	39 Å²	39	53.3 Å²	53.3	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-42.4	179.6	-72.8	-56.9	137.5	0	0	112.7	D213 V214 R220 H221 L274	D213-E217 WeakPolarHBondContact O-CG 3.42Å; D213-E217 PolarHBondContact O-N 3Å; V214-E217 PolarHBondContact O-N 3.41Å; E217-R220 PolarHBondContact O-N 2.8Å; E217-R220 IonicContact OE1-NE 3.75Å; E217-R220 IonicContact OE1-NH2 2.6Å; E217-R220 IonicContact OE2-CZ 3.12Å; E217-R220 IonicContact OE2-NE 2.69Å; E217-R220 PolarHBondContact OE2-NE 3.21Å; E217-R220 IonicContact OE2-NH2 2.97Å; E217-R220 PolarHBondContact OE2-NH2 2.89Å; E217-H221 PolarHBondContact O-N 3.15Å; E217-H221 VanDerWaalsContact O-N 3.11Å; E217-H221 PolarHBondContact O-ND1 3.19Å; E217-H221 IonicContact OE2-CE1 3.8Å; E217-H221 PolarHBondContact OE2-CE1 3.08Å; E217-H221 IonicContact OE2-ND1 3.07Å; E217-L274 HydrophobicContact CB-CD1 3.87Å
218	L	96	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175	-82.5	163.2	0	0	0	112	F194 V214 F216 R220 L222 L274 I278 L305 L309	F194-L218 HydrophobicContact CD1-CD1 3.67Å; F194-L218 HydrophobicContact CE1-CD1 3.62Å; V214-L218 HydrophobicContact CG1-CD1 4.07Å; V214-L218 PolarHBondContact O-N 2.99Å; F216-L218 PolarHBondContact O-N 3.11Å; L218-R220 PolarHBondContact O-N 2.74Å; L218-L222 HydrophobicContact CD2-CD1 4.28Å; L218-L222 WeakPolarHBondContact O-CB 3.37Å; L218-L222 PolarHBondContact O-N 3.35Å; L218-L274 HydrophobicContact CD2-CD2 3.62Å; L218-L274 HydrophobicContact CD2-CG 4.28Å; L218-L274 HydrophobicContact CG-CD1 4.42Å; L218-L274 HydrophobicContact CG-CD2 4.2Å; L218-I278 HydrophobicContact CD1-CD1 4.33Å; L218-I278 HydrophobicContact CD2-CD1 4.47Å; L218-L305 HydrophobicContact CD1-CD1 4.46Å; L218-L305 HydrophobicContact CD1-CD2 3.89Å; L218-L305 HydrophobicContact CD2-CD2 4.4Å; L218-L309 HydrophobicContact CD2-CD2 3.66Å
219	S	96.9	Very high	95.9	Very high	37 Å²	37	47.5 Å²	47.5	26%	0.259	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-49	177.9	-162.8	0	0	0	0	111	S191 A215 F216 H221 L222 D223	S191-S219 WeakPolarHBondContact O-CB 3.42Å; S191-S219 PolarHBondContact O-OG 3.11Å; A215-S219 PolarHBondContact O-N 3.24Å; A215-S219 VanDerWaalsContact O-N 3.15Å; F216-S219 PolarHBondContact O-N 3.08Å; S219-H221 PolarHBondContact O-N 3.15Å; S219-L222 PolarHBondContact O-N 3.48Å; S219-D223 WeakPolarHBondContact O-CB 3.25Å; S219-D223 PolarHBondContact O-N 2.91Å
220	R	96.1	Very high	96.1	Very high	131 Å²	131	47 Å²	47	49%	0.494	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-44.1	-178.2	-173	-178.6	65.7	72.5	-7.7	113	F216 E217 L218	F216-R220 WeakPolarHBondContact O-CB 3.39Å; F216-R220 PolarHBondContact O-N 2.99Å; E217-R220 PolarHBondContact O-N 2.8Å; E217-R220 IonicContact OE1-NE 3.75Å; E217-R220 IonicContact OE1-NH2 2.6Å; E217-R220 IonicContact OE2-CZ 3.12Å; E217-R220 IonicContact OE2-NE 2.69Å; E217-R220 PolarHBondContact OE2-NE 3.21Å; E217-R220 IonicContact OE2-NH2 2.97Å; E217-R220 PolarHBondContact OE2-NH2 2.89Å; L218-R220 PolarHBondContact O-N 2.74Å
221	H	95.1	Very high	96.2	Very high	35 Å²	35	51 Å²	51	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-78.5	-25.5	-176.3	-69.8	105.1	0	0	0	114.1	E217 S219 F267	E217-H221 PolarHBondContact O-N 3.15Å; E217-H221 VanDerWaalsContact O-N 3.11Å; E217-H221 PolarHBondContact O-ND1 3.19Å; E217-H221 IonicContact OE2-CE1 3.8Å; E217-H221 PolarHBondContact OE2-CE1 3.08Å; E217-H221 IonicContact OE2-ND1 3.07Å; S219-H221 PolarHBondContact O-N 3.15Å; H221-F267 HydrophobicContact CB-CD2 4Å; H221-F267 HydrophobicContact CB-CE2 4.48Å
222	L	96.9	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-103.9	-14.7	-173.9	-72.1	173.1	0	0	0	114.4	L187 L190 L218 S219 A224 L225 R226 F267 L309 V312	L187-L222 HydrophobicContact CD2-CD2 4.02Å; L190-L222 HydrophobicContact CB-CD1 3.64Å; L190-L222 HydrophobicContact CD1-CD1 4.22Å; L218-L222 HydrophobicContact CD2-CD1 4.28Å; L218-L222 WeakPolarHBondContact O-CB 3.37Å; L218-L222 PolarHBondContact O-N 3.35Å; S219-L222 PolarHBondContact O-N 3.48Å; L222-A224 PolarHBondContact O-N 3.22Å; L222-L225 HydrophobicContact CD2-CD1 4.35Å; L222-L225 PolarHBondContact O-N 3Å; L222-R226 WeakPolarHBondContact O-CB 3.46Å; L222-R226 PolarHBondContact O-N 2.94Å; L222-F267 HydrophobicContact CD1-CE2 4.28Å; L222-F267 HydrophobicContact CD2-CD1 4.37Å; L222-F267 HydrophobicContact CD2-CD2 3.46Å; L222-F267 VanDerWaalsContact CD2-CD2 3.46Å; L222-F267 HydrophobicContact CD2-CE1 4.25Å; L222-F267 HydrophobicContact CD2-CE2 3.34Å; L222-F267 HydrophobicContact CD2-CG 4Å; L222-F267 HydrophobicContact CD2-CZ 3.76Å; L222-F267 HydrophobicContact CG-CD2 3.99Å; L222-F267 HydrophobicContact CG-CE2 3.7Å; L222-F267 HydrophobicContact CG-CZ 4.41Å; L222-L309 HydrophobicContact CD1-CD2 4.47Å; L222-V312 HydrophobicContact CD2-CG2 4.19Å
223	D	96.3	Very high	96.6	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-56.3	-48.3	-174	-177.5	58.1	0	0	0	113.6	S219 R226 K227	S219-D223 WeakPolarHBondContact O-CB 3.25Å; S219-D223 PolarHBondContact O-N 2.91Å; D223-R226 PolarHBondContact O-N 3.27Å; D223-R226 IonicContact OD1-CZ 2.68Å; D223-R226 IonicContact OD1-NH2 3.77Å; D223-R226 PolarHBondContact OD1-NH2 3.32Å; D223-K227 WeakPolarHBondContact O-CG 3.42Å; D223-K227 PolarHBondContact O-N 2.89Å; D223-K227 VanDerWaalsContact O-N 3.07Å; D223-K227 IonicContact OD1-NZ 2.73Å; D223-K227 VanDerWaalsContact OD2-CE 3.31Å; D223-K227 WeakPolarHBondContact OD2-CE 3.46Å; D223-K227 IonicContact OD2-NZ 3.88Å; D223-K227 PolarHBondContact OD2-NZ 3.42Å
224	A	96.2	Very high	96.7	Very high	54 Å²	54	43.8 Å²	43.8	45%	0.446	21%	0.211	S	C	.	.	H	α-helix	trans	-66.3	-39.3	-179.1	0	0	0	0	0	112.2	L222 K227 L228 M263	L222-A224 PolarHBondContact O-N 3.22Å; A224-K227 PolarHBondContact O-N 3.26Å; A224-L228 PolarHBondContact O-N 3.01Å; A224-M263 HydrophobicContact CB-CE 3.52Å
225	L	96.9	Very high	96.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-46.1	175.5	-80.9	171	0	0	0	111.5	L222 K227 L228 H229 M263 F267 V312	L222-L225 HydrophobicContact CD2-CD1 4.35Å; L222-L225 PolarHBondContact O-N 3Å; L225-K227 VanDerWaalsContact C-N 3.29Å; L225-K227 PolarHBondContact O-N 3.5Å; L225-L228 PolarHBondContact O-N 2.88Å; L225-H229 PolarHBondContact O-CD2 3.48Å; L225-H229 PolarHBondContact O-N 3.29Å; L225-M263 HydrophobicContact CD2-CG 3.69Å; L225-M263 HydrophobicContact CD2-SD 4.31Å; L225-F267 HydrophobicContact CD1-CB 3.52Å; L225-F267 HydrophobicContact CD1-CD1 4.48Å; L225-F267 HydrophobicContact CD1-CG 4.01Å; L225-V312 HydrophobicContact CD1-CG1 4.13Å; L225-V312 HydrophobicContact CD1-CG2 4.49Å
226	R	97.9	Very high	96.7	Very high	42 Å²	42	45.3 Å²	45.3	16%	0.158	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-43.6	176.6	-179.3	179.7	55.8	79.7	3.1	111.6	L187 S191 L222 D223 H229 Q230	L187-R226 HydrophobicContact CB-CB 4.08Å; L187-R226 HydrophobicContact CB-CG 4.13Å; L187-R226 HydrophobicContact CD1-CB 4.39Å; S191-R226 WeakPolarHBondContact OG-CD 3.42Å; S191-R226 PolarHBondContact OG-NE 2.98Å; L222-R226 WeakPolarHBondContact O-CB 3.46Å; L222-R226 PolarHBondContact O-N 2.94Å; D223-R226 PolarHBondContact O-N 3.27Å; D223-R226 IonicContact OD1-CZ 2.68Å; D223-R226 IonicContact OD1-NH2 3.77Å; D223-R226 PolarHBondContact OD1-NH2 3.32Å; R226-H229 PolarHBondContact O-N 3.47Å; R226-Q230 VanDerWaalsContact O-CB 3.24Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 PolarHBondContact O-N 2.88Å
227	K	97.5	Very high	96.6	Very high	119 Å²	119	42 Å²	42	52%	0.517	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-44.8	177.9	-73.3	169.4	177.2	165.1	0	112.2	D223 A224 L225 Q230 E231	D223-K227 WeakPolarHBondContact O-CG 3.42Å; D223-K227 PolarHBondContact O-N 2.89Å; D223-K227 VanDerWaalsContact O-N 3.07Å; D223-K227 IonicContact OD1-NZ 2.73Å; D223-K227 VanDerWaalsContact OD2-CE 3.31Å; D223-K227 WeakPolarHBondContact OD2-CE 3.46Å; D223-K227 IonicContact OD2-NZ 3.88Å; D223-K227 PolarHBondContact OD2-NZ 3.42Å; A224-K227 PolarHBondContact O-N 3.26Å; L225-K227 VanDerWaalsContact C-N 3.29Å; L225-K227 PolarHBondContact O-N 3.5Å; K227-Q230 PolarHBondContact O-N 3.16Å; K227-E231 PolarHBondContact O-N 3.22Å; K227-E231 VanDerWaalsContact O-N 3.13Å
228	L	97.5	Very high	96.5	Very high	27 Å²	27	42 Å²	42	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-48.9	175.5	174.9	64.2	0	0	0	111.3	A224 L225 Q230 E231 I232 F260 L261 M263	A224-L228 PolarHBondContact O-N 3.01Å; L225-L228 PolarHBondContact O-N 2.88Å; L228-Q230 VanDerWaalsContact C-N 3.35Å; L228-Q230 PolarHBondContact O-N 3.4Å; L228-E231 WeakPolarHBondContact O-CB 3.44Å; L228-E231 PolarHBondContact O-N 3.42Å; L228-I232 HydrophobicContact CD1-CD1 4.34Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 WeakPolarHBondContact O-CG1 3.32Å; L228-I232 PolarHBondContact O-N 3.41Å; L228-F260 HydrophobicContact CD1-CB 4.04Å; L228-F260 HydrophobicContact CD2-CB 3.99Å; L228-L261 HydrophobicContact CD2-CD2 4.11Å; L228-M263 HydrophobicContact CB-SD 4.13Å; L228-M263 HydrophobicContact CD2-CG 4.2Å; L228-M263 HydrophobicContact CD2-SD 3.42Å; L228-M263 WeakPolarHBondContact CD2-SD 3.31Å; L228-M263 HydrophobicContact CG-SD 4.34Å
229	H	98.1	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-30.4	-177.5	-77.2	-79.1	0	0	0	113.1	E180 Y183 V184 L187 L225 R226 I232 S233 Y319	E180-H229 WeakPolarHBondContact OE1-CB 3.48Å; E180-H229 IonicContact OE1-CE1 3.85Å; E180-H229 IonicContact OE1-CG 2.69Å; E180-H229 IonicContact OE1-ND1 3.32Å; E180-H229 PolarHBondContact OE1-ND1 2.86Å; Y183-H229 HydrophobicContact CD1-CB 4.25Å; Y183-H229 AromaticContact CD1-CG 3.97Å; Y183-H229 AromaticContact CD1-ND1 3.79Å; Y183-H229 HydrophobicContact CE1-CB 4.08Å; Y183-H229 AromaticContact CE1-CD2 3.62Å; Y183-H229 AromaticContact CE1-CE1 3.59Å; Y183-H229 AromaticContact CE1-CG 3.47Å; Y183-H229 VanDerWaalsContact CE1-CG 3.47Å; Y183-H229 AromaticContact CE1-ND1 3.46Å; Y183-H229 WeakPolarHBondContact CE1-ND1 3.22Å; Y183-H229 AromaticContact CE1-NE2 3.69Å; V184-H229 HydrophobicContact CG2-CB 3.73Å; V184-H229 VanDerWaalsContact CG2-O 3.23Å; V184-H229 WeakPolarHBondContact CG2-O 3.47Å; L187-H229 HydrophobicContact CD1-CB 4.08Å; L225-H229 PolarHBondContact O-CD2 3.48Å; L225-H229 PolarHBondContact O-N 3.29Å; R226-H229 PolarHBondContact O-N 3.47Å; H229-I232 PolarHBondContact O-N 2.92Å; H229-S233 WeakPolarHBondContact O-CB 3.39Å; H229-S233 PolarHBondContact O-N 3.46Å; H229-Y319 PolarHBondContact CE1-OH 2.9Å; H229-Y319 PolarHBondContact ND1-OH 3.41Å
230	Q	98.1	Very high	95.8	Very high	63 Å²	63	43.5 Å²	43.5	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-47	169.4	-179.3	68.2	50.2	0	0	111	V184 R226 K227 L228 I232 S233 E234	V184-Q230 HydrophobicContact CG1-CB 4.19Å; R226-Q230 VanDerWaalsContact O-CB 3.24Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 PolarHBondContact O-N 2.88Å; K227-Q230 PolarHBondContact O-N 3.16Å; L228-Q230 VanDerWaalsContact C-N 3.35Å; L228-Q230 PolarHBondContact O-N 3.4Å; Q230-I232 PolarHBondContact O-N 3.32Å; Q230-S233 WeakPolarHBondContact O-CB 3.44Å; Q230-S233 PolarHBondContact O-N 3.06Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.32Å; Q230-E234 PolarHBondContact NE2-OE1 2.77Å; Q230-E234 WeakPolarHBondContact O-CG 3.44Å; Q230-E234 PolarHBondContact O-N 3.02Å
231	E	97.1	Very high	95.4	Very high	88 Å²	88	41.9 Å²	41.9	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-43	175.6	-179.2	64	-149	0	0	111.6	K227 L228 S233 E234 Q235	K227-E231 PolarHBondContact O-N 3.22Å; K227-E231 VanDerWaalsContact O-N 3.13Å; L228-E231 WeakPolarHBondContact O-CB 3.44Å; L228-E231 PolarHBondContact O-N 3.42Å; E231-S233 VanDerWaalsContact C-N 3.33Å; E231-S233 PolarHBondContact O-N 3.2Å; E231-E234 PolarHBondContact O-N 2.91Å; E231-Q235 WeakPolarHBondContact O-CB 3.35Å; E231-Q235 WeakPolarHBondContact O-CG 3.47Å; E231-Q235 PolarHBondContact O-N 2.68Å; E231-Q235 WeakPolarHBondContact OE1-CG 3.25Å; E231-Q235 PolarHBondContact OE1-NE2 3.42Å
232	I	97.3	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-46.3	175.2	-65	165.9	0	0	0	110.5	E180 L228 H229 Q230 E234 Q235 L236 V253 L254 V257 L261	E180-I232 HydrophobicContact CG-CB 4.38Å; E180-I232 HydrophobicContact CG-CG2 3.94Å; L228-I232 HydrophobicContact CD1-CD1 4.34Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 WeakPolarHBondContact O-CG1 3.32Å; L228-I232 PolarHBondContact O-N 3.41Å; H229-I232 PolarHBondContact O-N 2.92Å; Q230-I232 PolarHBondContact O-N 3.32Å; I232-E234 PolarHBondContact O-N 3.39Å; I232-Q235 PolarHBondContact O-N 3.11Å; I232-L236 HydrophobicContact CG2-CD1 3.75Å; I232-L236 HydrophobicContact CG2-CG 4.14Å; I232-L236 WeakPolarHBondContact O-CB 3.43Å; I232-L236 VanDerWaalsContact O-CG 3.26Å; I232-L236 WeakPolarHBondContact O-CG 3.29Å; I232-L236 PolarHBondContact O-N 3.25Å; I232-V253 HydrophobicContact CG2-CG1 4.44Å; I232-L254 HydrophobicContact CG2-CD2 4.43Å; I232-V257 HydrophobicContact CD1-CB 4.12Å; I232-V257 HydrophobicContact CD1-CG1 4.49Å; I232-V257 HydrophobicContact CD1-CG2 3.75Å; I232-V257 HydrophobicContact CG1-CB 4Å; I232-V257 HydrophobicContact CG1-CG1 3.84Å; I232-V257 HydrophobicContact CG1-CG2 3.74Å; I232-L261 HydrophobicContact CD1-CD2 3.93Å
233	S	97.6	Very high	94.1	Very high	8 Å²	8	45.7 Å²	45.7	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-44.7	179	-172.8	0	0	0	0	112	H229 Q230 E231 Q237	H229-S233 WeakPolarHBondContact O-CB 3.39Å; H229-S233 PolarHBondContact O-N 3.46Å; Q230-S233 WeakPolarHBondContact O-CB 3.44Å; Q230-S233 PolarHBondContact O-N 3.06Å; E231-S233 VanDerWaalsContact C-N 3.33Å; E231-S233 PolarHBondContact O-N 3.2Å; S233-Q237 VanDerWaalsContact O-CB 3.31Å; S233-Q237 WeakPolarHBondContact O-CB 3.23Å; S233-Q237 PolarHBondContact O-N 3.23Å
234	E	96.5	Very high	93.1	Very high	102 Å²	102	51.5 Å²	51.5	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-45.1	178.4	-72.9	172.5	-163	0	0	111.8	Q230 E231 I232 Q237 A238	Q230-E234 WeakPolarHBondContact CG-OE1 3.32Å; Q230-E234 PolarHBondContact NE2-OE1 2.77Å; Q230-E234 WeakPolarHBondContact O-CG 3.44Å; Q230-E234 PolarHBondContact O-N 3.02Å; E231-E234 PolarHBondContact O-N 2.91Å; I232-E234 PolarHBondContact O-N 3.39Å; E234-Q237 PolarHBondContact O-N 3.13Å; E234-A238 WeakPolarHBondContact O-CB 3.46Å; E234-A238 PolarHBondContact O-N 3.37Å
235	Q	95.4	Very high	92.1	Very high	36 Å²	36	53 Å²	53	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-49.5	176.5	-71.2	-169.7	36.7	0	0	111.4	E231 I232 Q237 A238 R239 V253	E231-Q235 WeakPolarHBondContact O-CB 3.35Å; E231-Q235 WeakPolarHBondContact O-CG 3.47Å; E231-Q235 PolarHBondContact O-N 2.68Å; E231-Q235 WeakPolarHBondContact OE1-CG 3.25Å; E231-Q235 PolarHBondContact OE1-NE2 3.42Å; I232-Q235 PolarHBondContact O-N 3.11Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.44Å; Q235-A238 WeakPolarHBondContact O-CB 3.3Å; Q235-A238 PolarHBondContact O-N 3.01Å; Q235-A238 VanDerWaalsContact O-N 3.16Å; Q235-R239 WeakPolarHBondContact O-CD 3.42Å; Q235-R239 PolarHBondContact O-N 3.15Å; Q235-V253 HydrophobicContact CB-CB 4.48Å; Q235-V253 HydrophobicContact CB-CG1 3.65Å; Q235-V253 HydrophobicContact CB-CG2 3.93Å
236	L	95.4	Very high	90.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-45.4	177.6	-74.7	176	0	0	0	111.4	E180 I232 A238 R239 H240 I250 V253	E180-L236 HydrophobicContact CB-CD1 4.04Å; E180-L236 HydrophobicContact CG-CD1 4.15Å; I232-L236 HydrophobicContact CG2-CD1 3.75Å; I232-L236 HydrophobicContact CG2-CG 4.14Å; I232-L236 WeakPolarHBondContact O-CB 3.43Å; I232-L236 VanDerWaalsContact O-CG 3.26Å; I232-L236 WeakPolarHBondContact O-CG 3.29Å; I232-L236 PolarHBondContact O-N 3.25Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.41Å; L236-R239 PolarHBondContact O-N 2.97Å; L236-H240 WeakPolarHBondContact O-CB 3.41Å; L236-H240 PolarHBondContact O-N 3.33Å; L236-I250 HydrophobicContact CD2-CD1 4.24Å; L236-I250 HydrophobicContact CD2-CG1 3.74Å; L236-V253 HydrophobicContact CD2-CB 3.98Å; L236-V253 HydrophobicContact CD2-CG1 4.1Å; L236-V253 HydrophobicContact CD2-CG2 4.31Å; L236-V253 HydrophobicContact CG-CB 4.5Å; L236-V253 HydrophobicContact CG-CG1 4.09Å
237	Q	94.7	Very high	89.6	Confident	49 Å²	49	65.6 Å²	65.6	23%	0.229	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.9	-170.7	58.2	49.9	0	0	112.1	S233 E234 Q235 H240 N241	S233-Q237 VanDerWaalsContact O-CB 3.31Å; S233-Q237 WeakPolarHBondContact O-CB 3.23Å; S233-Q237 PolarHBondContact O-N 3.23Å; E234-Q237 PolarHBondContact O-N 3.13Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.44Å; Q237-H240 PolarHBondContact O-N 2.97Å; Q237-N241 PolarHBondContact NE2-OD1 3.17Å; Q237-N241 PolarHBondContact O-N 2.9Å; Q237-N241 PolarHBondContact O-ND2 2.87Å; Q237-N241 PolarHBondContact O-OD1 2.82Å
238	A	92.1	Very high	88.5	Confident	37 Å²	37	62.8 Å²	62.8	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-47.9	174.5	0	0	0	0	0	111.1	E234 Q235 L236 H240 N241 F242	E234-A238 WeakPolarHBondContact O-CB 3.46Å; E234-A238 PolarHBondContact O-N 3.37Å; Q235-A238 WeakPolarHBondContact O-CB 3.3Å; Q235-A238 PolarHBondContact O-N 3.01Å; Q235-A238 VanDerWaalsContact O-N 3.16Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.41Å; A238-H240 PolarHBondContact O-N 3.01Å; A238-N241 PolarHBondContact O-N 2.96Å; A238-F242 WeakPolarHBondContact O-CD2 3.4Å
239	R	90.3	Very high	87.8	Confident	50 Å²	50	64.1 Å²	64.1	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-43	178.1	-80.5	67.5	174.1	168.7	-12.2	111.4	Q235 L236 N241 F242 L243 Q248 L249 I250 D252 V253	Q235-R239 WeakPolarHBondContact O-CD 3.42Å; Q235-R239 PolarHBondContact O-N 3.15Å; L236-R239 PolarHBondContact O-N 2.97Å; R239-N241 VanDerWaalsContact C-N 3.32Å; R239-N241 PolarHBondContact O-N 3.33Å; R239-F242 CarbonylContact O-C 3.58Å; R239-F242 PolarHBondContact O-N 2.84Å; R239-F242 VanDerWaalsContact O-N 3.12Å; R239-L243 PolarHBondContact O-N 3.42Å; R239-Q248 HydrophobicContact CG-CB 4.47Å; R239-L249 WeakPolarHBondContact CG-O 3.46Å; R239-I250 HydrophobicContact CB-CB 4.42Å; R239-I250 HydrophobicContact CB-CG1 4.3Å; R239-D252 IonicContact NE-OD1 3.92Å; R239-D252 IonicContact NE-OD2 2.78Å; R239-D252 IonicContact NH2-OD2 3.82Å; R239-V253 HydrophobicContact CG-CG2 4.13Å
240	H	88.9	Confident	87.3	Confident	19 Å²	19	64.1 Å²	64.1	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-39.1	179.6	-179.1	-80.9	0	0	0	113	F170 Q174 C177 L236 Q237 A238 F242 L243	F170-H240 AromaticContact CE2-NE2 3.87Å; F170-H240 AromaticContact CZ-CE1 3.57Å; F170-H240 AromaticContact CZ-NE2 3.6Å; Q174-H240 WeakPolarHBondContact CA-NE2 3.27Å; Q174-H240 WeakPolarHBondContact CB-NE2 3.41Å; C177-H240 VanDerWaalsContact SG-CB 3.55Å; L236-H240 WeakPolarHBondContact O-CB 3.41Å; L236-H240 PolarHBondContact O-N 3.33Å; Q237-H240 PolarHBondContact O-N 2.97Å; A238-H240 PolarHBondContact O-N 3.01Å; H240-F242 PolarHBondContact O-N 3.3Å; H240-L243 WeakPolarHBondContact O-CB 3.4Å; H240-L243 PolarHBondContact O-N 2.95Å
241	N	86.7	Confident	87	Confident	98 Å²	98	61.1 Å²	61.1	52%	0.524	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-31.5	177.8	-69.7	-13.3	0	0	0	112.8	Q237 A238 R239	Q237-N241 PolarHBondContact NE2-OD1 3.17Å; Q237-N241 PolarHBondContact O-N 2.9Å; Q237-N241 PolarHBondContact O-ND2 2.87Å; Q237-N241 PolarHBondContact O-OD1 2.82Å; A238-N241 PolarHBondContact O-N 2.96Å; R239-N241 VanDerWaalsContact C-N 3.32Å; R239-N241 PolarHBondContact O-N 3.33Å
242	F	84.8	Confident	86.9	Confident	89 Å²	89	57.9 Å²	57.9	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-103.8	4.4	-179.5	-58.7	-69.4	0	0	0	113.6	A238 R239 H240 R244 S245 Q246 Q248	A238-F242 WeakPolarHBondContact O-CD2 3.4Å; R239-F242 CarbonylContact O-C 3.58Å; R239-F242 PolarHBondContact O-N 2.84Å; R239-F242 VanDerWaalsContact O-N 3.12Å; H240-F242 PolarHBondContact O-N 3.3Å; F242-R244 PolarHBondContact O-N 3.36Å; F242-S245 PolarHBondContact O-N 3.26Å; F242-S245 PolarHBondContact O-OG 3.26Å; F242-Q246 HydrophobicContact CB-CB 4.26Å; F242-Q246 HydrophobicContact CB-CG 4.43Å; F242-Q246 PolarHBondContact O-N 3.43Å; F242-Q248 HydrophobicContact CB-CG 3.94Å
243	L	80	Confident	86.8	Confident	26 Å²	26	57.9 Å²	57.9	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-46	-174.7	-176.5	61.5	0	0	0	111.9	F170 A173 R239 H240 K247 Q248	F170-L243 HydrophobicContact CD2-CD2 3.95Å; F170-L243 HydrophobicContact CE2-CD2 4.42Å; A173-L243 HydrophobicContact CB-CD2 3.58Å; R239-L243 PolarHBondContact O-N 3.42Å; H240-L243 WeakPolarHBondContact O-CB 3.4Å; H240-L243 PolarHBondContact O-N 2.95Å; L243-K247 PolarHBondContact O-N 3.09Å; L243-Q248 WeakPolarHBondContact CD1-O 3.3Å
244	R	76.6	Confident	86.7	Confident	169 Å²	169	57.6 Å²	57.6	64%	0.638	28%	0.278	S	S	*	.	H	α-helix	trans	-75.1	-32.2	178.2	-78.1	-174.8	171.9	-172.9	-7.4	113.4	D167 F170 F242	D167-R244 IonicContact OD1-NH2 2.66Å; D167-R244 PolarHBondContact OD1-NH2 3.35Å; D167-R244 VanDerWaalsContact OD1-NH2 3.07Å; F170-R244 HydrophobicContact CD2-CG 3.88Å; F170-R244 HydrophobicContact CE2-CG 3.8Å; F242-R244 PolarHBondContact O-N 3.36Å
245	S	74.5	Confident	86.7	Confident	87 Å²	87	54.6 Å²	54.6	61%	0.608	26%	0.264	S	S	*	.	H	α-helix	trans	-93.7	-34.4	-169.9	55	0	0	0	0	114.2	F242	F242-S245 PolarHBondContact O-N 3.26Å; F242-S245 PolarHBondContact O-OG 3.26Å
246	Q	72	Confident	86.6	Confident	122 Å²	122	58.6 Å²	58.6	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-122.1	3.8	-173.9	-64.5	-174.4	-17.9	0	0	113.8	F242 Q248	F242-Q246 HydrophobicContact CB-CB 4.26Å; F242-Q246 HydrophobicContact CB-CG 4.43Å; F242-Q246 PolarHBondContact O-N 3.43Å; Q246-Q248 VanDerWaalsContact C-N 3.26Å; Q246-Q248 HydrophobicContact CB-CG 4.19Å; Q246-Q248 PolarHBondContact O-N 2.86Å
247	K	70.9	Confident	86.6	Confident	188 Å²	188	59 Å²	59	82%	0.817	28%	0.284	S	S	*	.			trans	50.5	44.5	-174.9	-62.2	-176.8	177.1	-179.3	0	112.4	L243	L243-K247 PolarHBondContact O-N 3.09Å
248	Q	73.8	Confident	86.6	Confident	60 Å²	60	56.6 Å²	56.6	28%	0.28	27%	0.273	S	S	.	.			trans	-68.8	138.5	175.1	-69.8	-160.5	-1.6	0	0	111	R239 F242 L243 Q246	R239-Q248 HydrophobicContact CG-CB 4.47Å; F242-Q248 HydrophobicContact CB-CG 3.94Å; L243-Q248 WeakPolarHBondContact CD1-O 3.3Å; Q246-Q248 VanDerWaalsContact C-N 3.26Å; Q246-Q248 HydrophobicContact CB-CG 4.19Å; Q246-Q248 PolarHBondContact O-N 2.86Å
249	L	82.4	Confident	86.7	Confident	54 Å²	54	60.4 Å²	60.4	28%	0.283	28%	0.284	S	S	.	.			trans	-66.3	132.3	170.6	-52.1	171.5	0	0	0	108.2	R239 D252 E336 I339	R239-L249 WeakPolarHBondContact CG-O 3.46Å; L249-D252 HydrophobicContact CB-CB 4.21Å; L249-E336 HydrophobicContact CB-CG 4.47Å; L249-E336 HydrophobicContact CD2-CB 3.35Å; L249-E336 HydrophobicContact CD2-CG 3.61Å; L249-I339 HydrophobicContact CD1-CD1 3.52Å
250	I	89.1	Confident	87	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-98.8	-29.1	174	-168.1	170.3	0	0	0	111.4	A173 L236 R239 D252 V253 Y326 E336	A173-I250 HydrophobicContact CB-CD1 3.63Å; L236-I250 HydrophobicContact CD2-CD1 4.24Å; L236-I250 HydrophobicContact CD2-CG1 3.74Å; R239-I250 HydrophobicContact CB-CB 4.42Å; R239-I250 HydrophobicContact CB-CG1 4.3Å; I250-D252 VanDerWaalsContact C-N 3.29Å; I250-D252 PolarHBondContact O-N 2.99Å; I250-V253 PolarHBondContact O-N 3.33Å; I250-Y326 HydrophobicContact CG2-CE1 4.23Å; I250-Y326 HydrophobicContact CG2-CE2 3.82Å; I250-Y326 WeakPolarHBondContact CG2-OH 3.26Å; I250-E336 PolarHBondContact N-OE1 3.33Å
251	T	92.1	Very high	87.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-73.6	-19.4	-176.7	54.8	0	0	0	0	113.4	V253 L254 L255 L323 Y326 E336 A340	T251-V253 PolarHBondContact O-N 3.11Å; T251-L254 PolarHBondContact O-N 3.14Å; T251-L255 PolarHBondContact O-N 3.22Å; T251-L255 VanDerWaalsContact O-N 3.09Å; T251-L323 HydrophobicContact CG2-CD2 3.6Å; T251-Y326 HydrophobicContact CG2-CD1 3.7Å; T251-Y326 HydrophobicContact CG2-CE1 3.64Å; T251-E336 PolarHBondContact N-OE1 2.87Å; T251-E336 VanDerWaalsContact OG1-CG 3.28Å; T251-E336 WeakPolarHBondContact OG1-CG 3.45Å; T251-E336 PolarHBondContact OG1-OE1 3.31Å; T251-A340 HydrophobicContact CG2-CB 3.79Å
252	D	93.5	Very high	87.9	Confident	21 Å²	21	62 Å²	62	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-34	175.3	79.9	-53.8	0	0	0	112.2	R239 L249 I250 L255 K256	R239-D252 IonicContact NE-OD1 3.92Å; R239-D252 IonicContact NE-OD2 2.78Å; R239-D252 IonicContact NH2-OD2 3.82Å; L249-D252 HydrophobicContact CB-CB 4.21Å; I250-D252 VanDerWaalsContact C-N 3.29Å; I250-D252 PolarHBondContact O-N 2.99Å; D252-L255 PolarHBondContact O-N 3.05Å; D252-K256 WeakPolarHBondContact O-CB 3.48Å; D252-K256 VanDerWaalsContact O-CG 3.25Å; D252-K256 WeakPolarHBondContact O-CG 3.39Å; D252-K256 PolarHBondContact O-N 3.48Å; D252-K256 IonicContact OD2-NZ 3.48Å; D252-K256 PolarHBondContact OD2-NZ 3.49Å
253	V	95.5	Very high	88.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-49.5	176.8	-180	0	0	0	0	109.7	I232 Q235 L236 R239 I250 T251 L255 K256 V257	I232-V253 HydrophobicContact CG2-CG1 4.44Å; Q235-V253 HydrophobicContact CB-CB 4.48Å; Q235-V253 HydrophobicContact CB-CG1 3.65Å; Q235-V253 HydrophobicContact CB-CG2 3.93Å; L236-V253 HydrophobicContact CD2-CB 3.98Å; L236-V253 HydrophobicContact CD2-CG1 4.1Å; L236-V253 HydrophobicContact CD2-CG2 4.31Å; L236-V253 HydrophobicContact CG-CB 4.5Å; L236-V253 HydrophobicContact CG-CG1 4.09Å; R239-V253 HydrophobicContact CG-CG2 4.13Å; I250-V253 PolarHBondContact O-N 3.33Å; T251-V253 PolarHBondContact O-N 3.11Å; V253-L255 VanDerWaalsContact C-N 3.34Å; V253-L255 PolarHBondContact O-N 3Å; V253-K256 PolarHBondContact O-N 2.86Å; V253-V257 WeakPolarHBondContact O-CG2 3.3Å; V253-V257 PolarHBondContact O-N 3.28Å
254	L	95.9	Very high	89.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-34.7	-179.5	-63.2	-177.8	0	0	0	112.1	I232 T251 V257 G258 Y319 L323 L347	I232-L254 HydrophobicContact CG2-CD2 4.43Å; T251-L254 PolarHBondContact O-N 3.14Å; L254-V257 HydrophobicContact CD2-CG2 4.46Å; L254-G258 WeakPolarHBondContact O-CA 3.5Å; L254-G258 PolarHBondContact O-N 3.47Å; L254-Y319 HydrophobicContact CD1-CD1 4.11Å; L254-Y319 HydrophobicContact CD2-CD1 3.64Å; L254-Y319 HydrophobicContact CD2-CE1 3.59Å; L254-L323 HydrophobicContact CD1-CD1 4.13Å; L254-L323 HydrophobicContact CD1-CD2 4.03Å; L254-L323 HydrophobicContact CD1-CG 4.03Å; L254-L347 HydrophobicContact CB-CD1 3.98Å; L254-L347 HydrophobicContact CD1-CD1 4.28Å
255	L	95.6	Very high	90.1	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.199	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-45.7	173.5	-174.3	59.5	0	0	0	111.5	T251 D252 V253 I339 E342 A343 L346	T251-L255 PolarHBondContact O-N 3.22Å; T251-L255 VanDerWaalsContact O-N 3.09Å; D252-L255 PolarHBondContact O-N 3.05Å; V253-L255 VanDerWaalsContact C-N 3.34Å; V253-L255 PolarHBondContact O-N 3Å; L255-I339 HydrophobicContact CD2-CG2 3.91Å; L255-E342 HydrophobicContact CD1-CB 4.35Å; L255-E342 HydrophobicContact CD1-CG 3.83Å; L255-A343 HydrophobicContact CB-CB 4.05Å; L255-A343 HydrophobicContact CD1-CB 4.44Å; L255-L346 HydrophobicContact CD1-CD2 3.93Å
256	K	94.7	Very high	90.9	Very high	120 Å²	120	58 Å²	58	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-41.4	178.4	-74.8	166.7	-178.5	165.1	0	112.3	D252 V253	D252-K256 WeakPolarHBondContact O-CB 3.48Å; D252-K256 VanDerWaalsContact O-CG 3.25Å; D252-K256 WeakPolarHBondContact O-CG 3.39Å; D252-K256 PolarHBondContact O-N 3.48Å; D252-K256 IonicContact OD2-NZ 3.48Å; D252-K256 PolarHBondContact OD2-NZ 3.49Å; V253-K256 PolarHBondContact O-N 2.86Å
257	V	94	Very high	92	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	24%	0.239	C	C	.	.	H	α-helix	trans	-87.9	-14.3	-177.1	-59.2	0	0	0	0	114.2	I232 V253 L254 H259 F260 L261	I232-V257 HydrophobicContact CD1-CB 4.12Å; I232-V257 HydrophobicContact CD1-CG1 4.49Å; I232-V257 HydrophobicContact CD1-CG2 3.75Å; I232-V257 HydrophobicContact CG1-CB 4Å; I232-V257 HydrophobicContact CG1-CG1 3.84Å; I232-V257 HydrophobicContact CG1-CG2 3.74Å; V253-V257 WeakPolarHBondContact O-CG2 3.3Å; V253-V257 PolarHBondContact O-N 3.28Å; L254-V257 HydrophobicContact CD2-CG2 4.46Å; V257-H259 VanDerWaalsContact C-N 3.33Å; V257-H259 PolarHBondContact O-N 3.18Å; V257-F260 WeakPolarHBondContact O-CB 3.37Å; V257-F260 PolarHBondContact O-N 3.42Å; V257-L261 PolarHBondContact O-N 3.04Å
258	G	94.7	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-42.8	-168	0	0	0	0	0	114.3	L254 F260 L261 V350	L254-G258 WeakPolarHBondContact O-CA 3.5Å; L254-G258 PolarHBondContact O-N 3.47Å; G258-F260 VanDerWaalsContact C-N 3.32Å; G258-F260 PolarHBondContact O-N 2.83Å; G258-L261 WeakPolarHBondContact O-CB 3.4Å; G258-L261 PolarHBondContact O-N 3.28Å; G258-V350 WeakPolarHBondContact O-CG2 3.3Å
259	H	95.4	Very high	94.2	Very high	117 Å²	117	44.9 Å²	44.9	54%	0.542	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.8	177.4	-68.4	94.5	0	0	0	113.3	V257 L261 K262	V257-H259 VanDerWaalsContact C-N 3.33Å; V257-H259 PolarHBondContact O-N 3.18Å; H259-L261 VanDerWaalsContact C-N 3.32Å; H259-K262 WeakPolarHBondContact O-CB 3.47Å; H259-K262 WeakPolarHBondContact O-CG 3.43Å; H259-K262 PolarHBondContact O-N 3.28Å
260	F	96.9	Very high	94.6	Very high	134 Å²	134	45.9 Å²	45.9	59%	0.588	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-72.4	-26.9	179.4	-60.4	-81	0	0	0	112.2	L228 V257 G258 K262 M263	L228-F260 HydrophobicContact CD1-CB 4.04Å; L228-F260 HydrophobicContact CD2-CB 3.99Å; V257-F260 WeakPolarHBondContact O-CB 3.37Å; V257-F260 PolarHBondContact O-N 3.42Å; G258-F260 VanDerWaalsContact C-N 3.32Å; G258-F260 PolarHBondContact O-N 2.83Å; F260-K262 PolarHBondContact O-N 2.66Å; F260-K262 VanDerWaalsContact O-N 3.09Å; F260-M263 WeakPolarHBondContact O-CB 3.27Å; F260-M263 WeakPolarHBondContact O-CG 3.43Å; F260-M263 PolarHBondContact O-N 3.21Å
261	L	97.4	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.3	177.5	-68.3	172.9	0	0	0	113.3	L228 I232 V257 G258 H259 M263 S264 I316 Y319 L347 V350	L228-L261 HydrophobicContact CD2-CD2 4.11Å; I232-L261 HydrophobicContact CD1-CD2 3.93Å; V257-L261 PolarHBondContact O-N 3.04Å; G258-L261 WeakPolarHBondContact O-CB 3.4Å; G258-L261 PolarHBondContact O-N 3.28Å; H259-L261 VanDerWaalsContact C-N 3.32Å; L261-M263 PolarHBondContact O-N 3.09Å; L261-M263 VanDerWaalsContact O-N 3.12Å; L261-S264 VanDerWaalsContact O-CB 3.23Å; L261-S264 WeakPolarHBondContact O-CB 3.45Å; L261-S264 PolarHBondContact O-N 3.49Å; L261-S264 PolarHBondContact O-OG 3.01Å; L261-I316 HydrophobicContact CB-CD1 3.87Å; L261-I316 HydrophobicContact CD1-CD1 4.48Å; L261-I316 HydrophobicContact CD2-CD1 4.18Å; L261-I316 HydrophobicContact CG-CD1 4.41Å; L261-Y319 HydrophobicContact CD1-CD2 3.9Å; L261-Y319 HydrophobicContact CD1-CE2 3.66Å; L261-Y319 HydrophobicContact CD2-CE2 4.05Å; L261-L347 HydrophobicContact CD1-CD2 3.46Å; L261-L347 VanDerWaalsContact CD1-CD2 3.46Å; L261-V350 HydrophobicContact CB-CG1 4.15Å
262	K	95.8	Very high	94.9	Very high	65 Å²	65	49.9 Å²	49.9	28%	0.283	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-55.3	-25.8	171.2	-63.9	-175.5	-177.5	-164.7	0	112.5	H259 F260 S264 R265 V350 E353	H259-K262 WeakPolarHBondContact O-CB 3.47Å; H259-K262 WeakPolarHBondContact O-CG 3.43Å; H259-K262 PolarHBondContact O-N 3.28Å; F260-K262 PolarHBondContact O-N 2.66Å; F260-K262 VanDerWaalsContact O-N 3.09Å; K262-S264 PolarHBondContact O-N 2.87Å; K262-S264 VanDerWaalsContact O-N 3.11Å; K262-R265 VanDerWaalsContact O-CB 3.29Å; K262-R265 WeakPolarHBondContact O-CB 3.33Å; K262-R265 PolarHBondContact O-N 2.97Å; K262-R265 VanDerWaalsContact O-N 3.08Å; K262-V350 HydrophobicContact CG-CG1 4Å; K262-V350 HydrophobicContact CG-CG2 4.08Å; K262-E353 WeakPolarHBondContact CD-OE2 3.47Å; K262-E353 WeakPolarHBondContact CE-OE2 3.33Å; K262-E353 IonicContact NZ-OE1 3.9Å; K262-E353 PolarHBondContact NZ-OE1 2.63Å; K262-E353 IonicContact NZ-OE2 3.99Å; K262-E353 PolarHBondContact NZ-OE2 3.4Å
263	M	95	Very high	94.8	Very high	61 Å²	61	54.5 Å²	54.5	30%	0.3	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-22.4	175.2	78.6	-171	-75.4	0	0	113.2	A224 L225 L228 F260 L261 R265 M266	A224-M263 HydrophobicContact CB-CE 3.52Å; L225-M263 HydrophobicContact CD2-CG 3.69Å; L225-M263 HydrophobicContact CD2-SD 4.31Å; L228-M263 HydrophobicContact CB-SD 4.13Å; L228-M263 HydrophobicContact CD2-CG 4.2Å; L228-M263 HydrophobicContact CD2-SD 3.42Å; L228-M263 WeakPolarHBondContact CD2-SD 3.31Å; L228-M263 HydrophobicContact CG-SD 4.34Å; F260-M263 WeakPolarHBondContact O-CB 3.27Å; F260-M263 WeakPolarHBondContact O-CG 3.43Å; F260-M263 PolarHBondContact O-N 3.21Å; L261-M263 PolarHBondContact O-N 3.09Å; L261-M263 VanDerWaalsContact O-N 3.12Å; M263-R265 PolarHBondContact O-N 2.87Å; M263-R265 VanDerWaalsContact O-N 3.15Å; M263-M266 WeakPolarHBondContact O-CB 3.47Å; M263-M266 PolarHBondContact O-N 3.15Å
264	S	96.5	Very high	94.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-29.3	174.9	-54	0	0	0	0	112.5	L261 K262 M266 F267 L268	L261-S264 VanDerWaalsContact O-CB 3.23Å; L261-S264 WeakPolarHBondContact O-CB 3.45Å; L261-S264 PolarHBondContact O-N 3.49Å; L261-S264 PolarHBondContact O-OG 3.01Å; K262-S264 PolarHBondContact O-N 2.87Å; K262-S264 VanDerWaalsContact O-N 3.11Å; S264-M266 PolarHBondContact O-N 3.4Å; S264-F267 PolarHBondContact O-N 3.02Å; S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.23Å; S264-L268 PolarHBondContact O-N 3.19Å
265	R	95.4	Very high	94.8	Very high	86 Å²	86	55.3 Å²	55.3	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-54	-39.8	174.2	-176.6	-178.6	173	-173.6	4.6	112.1	K262 M263 F267 L268 Q269 I354 G357	K262-R265 VanDerWaalsContact O-CB 3.29Å; K262-R265 WeakPolarHBondContact O-CB 3.33Å; K262-R265 PolarHBondContact O-N 2.97Å; K262-R265 VanDerWaalsContact O-N 3.08Å; M263-R265 PolarHBondContact O-N 2.87Å; M263-R265 VanDerWaalsContact O-N 3.15Å; R265-F267 VanDerWaalsContact C-N 3.35Å; R265-F267 PolarHBondContact O-N 3.25Å; R265-L268 PolarHBondContact O-N 2.83Å; R265-Q269 HydrophobicContact CG-CG 4.2Å; R265-Q269 VanDerWaalsContact NE-NE2 3.15Å; R265-Q269 WeakPolarHBondContact O-CB 3.44Å; R265-Q269 VanDerWaalsContact O-CG 3.3Å; R265-Q269 WeakPolarHBondContact O-CG 3.31Å; R265-Q269 PolarHBondContact O-N 2.91Å; R265-I354 HydrophobicContact CB-CG1 4.38Å; R265-G357 PolarHBondContact NE-O 3.41Å; R265-G357 PolarHBondContact NH2-O 2.82Å
266	M	92.9	Very high	94.8	Very high	141 Å²	141	56.5 Å²	56.5	70%	0.695	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-43.1	-178.3	-63.8	-175.4	68.7	0	0	111.9	M263 S264 Q270	M263-M266 WeakPolarHBondContact O-CB 3.47Å; M263-M266 PolarHBondContact O-N 3.15Å; S264-M266 PolarHBondContact O-N 3.4Å; M266-Q270 WeakPolarHBondContact O-CG 3.43Å
267	F	95.5	Very high	94.9	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-47.4	174.6	171	-96.8	0	0	0	111.3	H221 L222 L225 S264 R265 Q269 Q270 K271 L274 L309 V312	H221-F267 HydrophobicContact CB-CD2 4Å; H221-F267 HydrophobicContact CB-CE2 4.48Å; L222-F267 HydrophobicContact CD1-CE2 4.28Å; L222-F267 HydrophobicContact CD2-CD1 4.37Å; L222-F267 HydrophobicContact CD2-CD2 3.46Å; L222-F267 VanDerWaalsContact CD2-CD2 3.46Å; L222-F267 HydrophobicContact CD2-CE1 4.25Å; L222-F267 HydrophobicContact CD2-CE2 3.34Å; L222-F267 HydrophobicContact CD2-CG 4Å; L222-F267 HydrophobicContact CD2-CZ 3.76Å; L222-F267 HydrophobicContact CG-CD2 3.99Å; L222-F267 HydrophobicContact CG-CE2 3.7Å; L222-F267 HydrophobicContact CG-CZ 4.41Å; L225-F267 HydrophobicContact CD1-CB 3.52Å; L225-F267 HydrophobicContact CD1-CD1 4.48Å; L225-F267 HydrophobicContact CD1-CG 4.01Å; S264-F267 PolarHBondContact O-N 3.02Å; R265-F267 VanDerWaalsContact C-N 3.35Å; R265-F267 PolarHBondContact O-N 3.25Å; F267-Q269 VanDerWaalsContact C-N 3.26Å; F267-Q269 PolarHBondContact O-N 3.21Å; F267-Q270 CarbonylContact O-C 3.54Å; F267-Q270 PolarHBondContact O-N 3.03Å; F267-K271 HydrophobicContact CE1-CB 4.23Å; F267-K271 HydrophobicContact CE1-CD 4.26Å; F267-K271 HydrophobicContact CE1-CG 4.32Å; F267-K271 HydrophobicContact CZ-CB 4.4Å; F267-K271 HydrophobicContact CZ-CG 4.42Å; F267-K271 PolarHBondContact O-N 3.31Å; F267-L274 HydrophobicContact CE2-CD2 4.26Å; F267-L309 HydrophobicContact CZ-CB 4.11Å; F267-L309 HydrophobicContact CZ-CD2 4.04Å; F267-V312 HydrophobicContact CD1-CB 3.82Å; F267-V312 HydrophobicContact CD1-CG1 3.81Å; F267-V312 HydrophobicContact CD1-CG2 3.66Å; F267-V312 HydrophobicContact CE1-CB 3.87Å; F267-V312 HydrophobicContact CE1-CG1 4.38Å; F267-V312 HydrophobicContact CE1-CG2 3.55Å; F267-V312 HydrophobicContact CZ-CG2 4.34Å
268	L	96	Very high	95	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-33.4	-175.1	-69.4	174.6	0	0	0	112.7	S264 R265 Q270 K271 V312 H313 I354 L358	S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.23Å; S264-L268 PolarHBondContact O-N 3.19Å; R265-L268 PolarHBondContact O-N 2.83Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; L268-Q270 PolarHBondContact O-N 2.99Å; L268-K271 HydrophobicContact CD2-CD 4.29Å; L268-V312 HydrophobicContact CD1-CG1 4.47Å; L268-V312 HydrophobicContact CD2-CB 4.12Å; L268-V312 HydrophobicContact CD2-CG1 4.02Å; L268-V312 HydrophobicContact CG-CG1 4.09Å; L268-H313 HydrophobicContact CD1-CB 4.23Å; L268-H313 HydrophobicContact CD2-CB 3.79Å; L268-I354 HydrophobicContact CD1-CG2 3.75Å; L268-L358 HydrophobicContact CB-CD1 4.03Å; L268-L358 HydrophobicContact CB-CD2 3.59Å; L268-L358 HydrophobicContact CB-CG 4.39Å; L268-L358 HydrophobicContact CD1-CD1 4.13Å
269	Q	93	Very high	95.1	Very high	75 Å²	75	56 Å²	56	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-32.8	173	-75.1	177.4	-32.9	0	0	113.1	R265 F267 G357 L358	R265-Q269 HydrophobicContact CG-CG 4.2Å; R265-Q269 VanDerWaalsContact NE-NE2 3.15Å; R265-Q269 WeakPolarHBondContact O-CB 3.44Å; R265-Q269 VanDerWaalsContact O-CG 3.3Å; R265-Q269 WeakPolarHBondContact O-CG 3.31Å; R265-Q269 PolarHBondContact O-N 2.91Å; F267-Q269 VanDerWaalsContact C-N 3.26Å; F267-Q269 PolarHBondContact O-N 3.21Å; Q269-G357 PolarHBondContact NE2-O 3.37Å; Q269-L358 HydrophobicContact CB-CD2 4.41Å; Q269-L358 HydrophobicContact CG-CD2 3.63Å
270	Q	91.9	Very high	95.2	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-91.9	-17.6	-178.5	-62.7	-59.1	-29.3	0	0	113.5	M266 F267 L268 G272 E273 L274	M266-Q270 WeakPolarHBondContact O-CG 3.43Å; F267-Q270 CarbonylContact O-C 3.54Å; F267-Q270 PolarHBondContact O-N 3.03Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; L268-Q270 PolarHBondContact O-N 2.99Å; Q270-G272 VanDerWaalsContact C-N 3.29Å; Q270-G272 PolarHBondContact O-N 3.27Å; Q270-E273 PolarHBondContact O-N 3.16Å; Q270-E273 VanDerWaalsContact O-N 3.12Å; Q270-L274 PolarHBondContact O-N 3.39Å
271	K	94.8	Very high	95.2	Very high	37 Å²	37	47.7 Å²	47.7	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-52.4	-42	-174.8	176.4	-175.3	159.4	-153	0	113.9	F267 L268 L274 S275 L309 D310	F267-K271 HydrophobicContact CE1-CB 4.23Å; F267-K271 HydrophobicContact CE1-CD 4.26Å; F267-K271 HydrophobicContact CE1-CG 4.32Å; F267-K271 HydrophobicContact CZ-CB 4.4Å; F267-K271 HydrophobicContact CZ-CG 4.42Å; F267-K271 PolarHBondContact O-N 3.31Å; L268-K271 HydrophobicContact CD2-CD 4.29Å; K271-L274 PolarHBondContact O-N 2.92Å; K271-S275 WeakPolarHBondContact O-CB 3.27Å; K271-S275 PolarHBondContact O-N 3.42Å; K271-S275 PolarHBondContact O-OG 2.99Å; K271-L309 HydrophobicContact CD-CB 4.32Å; K271-L309 HydrophobicContact CG-CB 4.13Å; K271-D310 VanDerWaalsContact CE-OD1 3.31Å; K271-D310 WeakPolarHBondContact CE-OD1 3.24Å; K271-D310 IonicContact NZ-OD1 2.69Å; K271-D310 PolarHBondContact NZ-OD1 3.02Å
272	G	92.5	Very high	95.1	Very high	46 Å²	46	49.3 Å²	49.3	47%	0.474	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-39.4	-179	0	0	0	0	0	113.2	Q270 S276	Q270-G272 VanDerWaalsContact C-N 3.29Å; Q270-G272 PolarHBondContact O-N 3.27Å; G272-S276 PolarHBondContact O-N 3.29Å; G272-S276 VanDerWaalsContact O-N 3.13Å; G272-S276 PolarHBondContact O-OG 2.84Å
273	E	91.8	Very high	95.2	Very high	118 Å²	118	55.4 Å²	55.4	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-67.7	-46.4	173.9	-178.2	167.6	-179	0	0	110.6	Q270 S275 S276 I277	Q270-E273 PolarHBondContact O-N 3.16Å; Q270-E273 VanDerWaalsContact O-N 3.12Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.38Å; E273-S276 WeakPolarHBondContact O-CA 3.41Å; E273-S276 WeakPolarHBondContact O-CB 3.24Å; E273-S276 PolarHBondContact O-N 3.29Å; E273-I277 HydrophobicContact CG-CD1 3.95Å; E273-I277 HydrophobicContact CG-CG1 4.48Å; E273-I277 WeakPolarHBondContact O-CG1 3.47Å; E273-I277 PolarHBondContact O-N 3.48Å
274	L	95	Very high	95.3	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-42.3	177.6	-173.5	57.9	0	0	0	112.3	E217 L218 F267 Q270 K271 S276 I277 I278 L309	E217-L274 HydrophobicContact CB-CD1 3.87Å; L218-L274 HydrophobicContact CD2-CD2 3.62Å; L218-L274 HydrophobicContact CD2-CG 4.28Å; L218-L274 HydrophobicContact CG-CD1 4.42Å; L218-L274 HydrophobicContact CG-CD2 4.2Å; F267-L274 HydrophobicContact CE2-CD2 4.26Å; Q270-L274 PolarHBondContact O-N 3.39Å; K271-L274 PolarHBondContact O-N 2.92Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 3.42Å; L274-I277 PolarHBondContact O-N 3.01Å; L274-I278 HydrophobicContact CG-CD1 4.15Å; L274-I278 WeakPolarHBondContact O-CD1 3.35Å; L274-I278 VanDerWaalsContact O-CG1 3.25Å; L274-I278 WeakPolarHBondContact O-CG1 3.49Å; L274-I278 PolarHBondContact O-N 3.21Å; L274-L309 HydrophobicContact CD2-CD1 4.39Å
275	S	96.4	Very high	95.3	Very high	16 Å²	16	61.2 Å²	61.2	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-41.5	175.1	-61.8	0	0	0	0	111.7	K271 E273 I278 L279	K271-S275 WeakPolarHBondContact O-CB 3.27Å; K271-S275 PolarHBondContact O-N 3.42Å; K271-S275 PolarHBondContact O-OG 2.99Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.38Å; S275-I278 PolarHBondContact O-N 3.39Å; S275-L279 WeakPolarHBondContact O-CB 3.33Å; S275-L279 VanDerWaalsContact O-CG 3.28Å; S275-L279 WeakPolarHBondContact O-CG 3.39Å; S275-L279 PolarHBondContact O-N 3.38Å
276	S	96	Very high	95.4	Very high	64 Å²	64	61.1 Å²	61.1	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-40.2	176.7	-59.5	0	0	0	0	111.8	G272 E273 L274 N280	G272-S276 PolarHBondContact O-N 3.29Å; G272-S276 VanDerWaalsContact O-N 3.13Å; G272-S276 PolarHBondContact O-OG 2.84Å; E273-S276 WeakPolarHBondContact O-CA 3.41Å; E273-S276 WeakPolarHBondContact O-CB 3.24Å; E273-S276 PolarHBondContact O-N 3.29Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 3.42Å; S276-N280 VanDerWaalsContact O-CB 3.29Å; S276-N280 WeakPolarHBondContact O-CB 3.38Å; S276-N280 VanDerWaalsContact O-CG 3.24Å; S276-N280 PolarHBondContact O-N 3.01Å; S276-N280 PolarHBondContact O-ND2 3.02Å
277	I	95.9	Very high	95.6	Very high	37 Å²	37	57 Å²	57	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-49	174.8	-69.6	168.2	0	0	0	110.3	P212 V214 E273 L274 L279 N280 A281	P212-I277 HydrophobicContact CG-CD1 4.33Å; P212-I277 HydrophobicContact CG-CG1 4.46Å; P212-I277 HydrophobicContact CG-CG2 3.62Å; V214-I277 HydrophobicContact CG2-CG2 3.98Å; E273-I277 HydrophobicContact CG-CD1 3.95Å; E273-I277 HydrophobicContact CG-CG1 4.48Å; E273-I277 WeakPolarHBondContact O-CG1 3.47Å; E273-I277 PolarHBondContact O-N 3.48Å; L274-I277 PolarHBondContact O-N 3.01Å; I277-L279 PolarHBondContact O-N 3.26Å; I277-N280 PolarHBondContact O-N 3.02Å; I277-A281 WeakPolarHBondContact O-CB 3.4Å; I277-A281 PolarHBondContact O-N 3.09Å
278	I	96.7	Very high	95.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-50.4	177.4	-66.3	158.5	0	0	0	111	V214 L218 L274 S275 N280 A281 C282 L292 L305 V306 L309	V214-I278 HydrophobicContact CG1-CG1 3.53Å; L218-I278 HydrophobicContact CD1-CD1 4.33Å; L218-I278 HydrophobicContact CD2-CD1 4.47Å; L274-I278 HydrophobicContact CG-CD1 4.15Å; L274-I278 WeakPolarHBondContact O-CD1 3.35Å; L274-I278 VanDerWaalsContact O-CG1 3.25Å; L274-I278 WeakPolarHBondContact O-CG1 3.49Å; L274-I278 PolarHBondContact O-N 3.21Å; S275-I278 PolarHBondContact O-N 3.39Å; I278-N280 PolarHBondContact O-N 3.38Å; I278-A281 WeakPolarHBondContact O-CB 3.22Å; I278-A281 PolarHBondContact O-N 3.33Å; I278-C282 PolarHBondContact O-N 3.27Å; I278-C282 PolarHBondContact O-SG 2.88Å; I278-C282 VanDerWaalsContact O-SG 3.37Å; I278-L292 HydrophobicContact CG2-CD2 4.1Å; I278-L305 HydrophobicContact CD1-CD2 3.89Å; I278-V306 HydrophobicContact CB-CG2 4.06Å; I278-V306 HydrophobicContact CD1-CG2 4.24Å; I278-V306 HydrophobicContact CG2-CG2 3.63Å; I278-L309 HydrophobicContact CD1-CD1 4.05Å
279	L	96.7	Very high	95.8	Very high	80 Å²	80	56.5 Å²	56.5	42%	0.419	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-37.5	-177.9	-69.7	174.6	0	0	0	112.5	S275 I277 C282 R283 V306	S275-L279 WeakPolarHBondContact O-CB 3.33Å; S275-L279 VanDerWaalsContact O-CG 3.28Å; S275-L279 WeakPolarHBondContact O-CG 3.39Å; S275-L279 PolarHBondContact O-N 3.38Å; I277-L279 PolarHBondContact O-N 3.26Å; L279-C282 PolarHBondContact O-N 3.37Å; L279-R283 WeakPolarHBondContact O-CG 3.28Å; L279-R283 PolarHBondContact O-N 2.85Å; L279-V306 HydrophobicContact CD2-CG2 4.29Å; L279-V306 HydrophobicContact CG-CG2 4.36Å
280	N	96.6	Very high	96.1	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-68.8	-39	174.3	-74.6	-25.6	0	0	0	111.6	S276 I277 I278 C282 R283 Q284	S276-N280 VanDerWaalsContact O-CB 3.29Å; S276-N280 WeakPolarHBondContact O-CB 3.38Å; S276-N280 VanDerWaalsContact O-CG 3.24Å; S276-N280 PolarHBondContact O-N 3.01Å; S276-N280 PolarHBondContact O-ND2 3.02Å; I277-N280 PolarHBondContact O-N 3.02Å; I278-N280 PolarHBondContact O-N 3.38Å; N280-C282 VanDerWaalsContact C-N 3.33Å; N280-C282 PolarHBondContact O-N 2.89Å; N280-R283 WeakPolarHBondContact O-CB 3.41Å; N280-R283 PolarHBondContact O-N 2.88Å; N280-R283 VanDerWaalsContact O-N 3.11Å; N280-R283 PolarHBondContact OD1-NH1 3.09Å; N280-Q284 WeakPolarHBondContact O-CG 3.37Å; N280-Q284 PolarHBondContact O-N 3.43Å
281	A	96.8	Very high	96.4	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-42	174.8	0	0	0	0	0	111.4	T210 V214 I277 I278 R283 Q284 Y285 F288	T210-A281 HydrophobicContact CG2-CB 3.86Å; V214-A281 HydrophobicContact CG2-CB 3.78Å; I277-A281 WeakPolarHBondContact O-CB 3.4Å; I277-A281 PolarHBondContact O-N 3.09Å; I278-A281 WeakPolarHBondContact O-CB 3.22Å; I278-A281 PolarHBondContact O-N 3.33Å; A281-R283 PolarHBondContact O-N 3.31Å; A281-Q284 PolarHBondContact O-N 3.15Å; A281-Y285 HydrophobicContact CB-CD2 4.32Å; A281-Y285 WeakPolarHBondContact O-CB 3.34Å; A281-Y285 WeakPolarHBondContact O-CD2 3.31Å; A281-Y285 PolarHBondContact O-N 3.4Å; A281-F288 HydrophobicContact CB-CD1 4.01Å; A281-F288 HydrophobicContact CB-CE1 3.81Å
282	C	96.8	Very high	96.5	Very high	35 Å²	35	51.3 Å²	51.3	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-28.6	174.6	-69.5	0	0	0	0	113.9	I278 L279 N280 A289 L292	I278-C282 PolarHBondContact O-N 3.27Å; I278-C282 PolarHBondContact O-SG 2.88Å; I278-C282 VanDerWaalsContact O-SG 3.37Å; L279-C282 PolarHBondContact O-N 3.37Å; N280-C282 VanDerWaalsContact C-N 3.33Å; N280-C282 PolarHBondContact O-N 2.89Å; C282-A289 HydrophobicContact CB-CB 4.08Å; C282-A289 WeakPolarHBondContact O-CB 3.2Å; C282-L292 WeakPolarHBondContact SG-CD2 3.24Å
283	R	96.7	Very high	96.7	Very high	193 Å²	193	54.6 Å²	54.6	73%	0.728	28%	0.276	S	S	*	.	H	α-helix	trans	-80.2	-35.2	176.4	-68.3	170.5	-178.9	159.5	-1.6	112.3	L279 N280 A281	L279-R283 WeakPolarHBondContact O-CG 3.28Å; L279-R283 PolarHBondContact O-N 2.85Å; N280-R283 WeakPolarHBondContact O-CB 3.41Å; N280-R283 PolarHBondContact O-N 2.88Å; N280-R283 VanDerWaalsContact O-N 3.11Å; N280-R283 PolarHBondContact OD1-NH1 3.09Å; A281-R283 PolarHBondContact O-N 3.31Å
284	Q	97.1	Very high	97	Very high	123 Å²	123	51 Å²	51	58%	0.575	26%	0.263	S	S	*	.	H	α-helix	trans	-87.1	-32	-174.6	-69.1	-179.8	34.6	0	0	113	N280 A281 P286	N280-Q284 WeakPolarHBondContact O-CG 3.37Å; N280-Q284 PolarHBondContact O-N 3.43Å; A281-Q284 PolarHBondContact O-N 3.15Å; Q284-P286 WeakPolarHBondContact O-CD 3.23Å
285	Y	97.6	Very high	97.2	Very high	60 Å²	60	51.1 Å²	51.1	24%	0.235	26%	0.264	C	S	.	.			trans	-123.3	91.1	-172.9	-56.5	-84	0	0	0	110.1	T210 Q211 A281 E287 F288 A289	T210-Y285 HydrophobicContact CG2-CD2 3.8Å; T210-Y285 HydrophobicContact CG2-CE2 4.37Å; T210-Y285 HydrophobicContact CG2-CG 4.08Å; Q211-Y285 PolarHBondContact N-OH 3.13Å; A281-Y285 HydrophobicContact CB-CD2 4.32Å; A281-Y285 WeakPolarHBondContact O-CB 3.34Å; A281-Y285 WeakPolarHBondContact O-CD2 3.31Å; A281-Y285 PolarHBondContact O-N 3.4Å; Y285-E287 VanDerWaalsContact C-N 3.31Å; Y285-E287 PolarHBondContact O-N 3.31Å; Y285-F288 WeakPolarHBondContact O-CB 3.34Å; Y285-F288 PolarHBondContact O-N 3.05Å; Y285-A289 PolarHBondContact O-N 3.2Å
286	P	97.4	Very high	97.2	Very high	83 Å²	83	51 Å²	51	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-35.8	-177.4	-25.1	35.1	0	0	0	114.2	Q284 A289 S290	Q284-P286 WeakPolarHBondContact O-CD 3.23Å; P286-A289 WeakPolarHBondContact O-CB 3.41Å; P286-A289 PolarHBondContact O-N 3.27Å; P286-S290 PolarHBondContact O-N 3.49Å
287	E	97.5	Very high	97.3	Very high	56 Å²	56	54.2 Å²	54.2	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-68	-41.2	178	-67.6	81.8	173.2	0	0	111.2	R207 V208 Y285 S290 A291	R207-E287 HydrophobicContact CB-CB 3.98Å; R207-E287 HydrophobicContact CB-CG 3.86Å; R207-E287 IonicContact CZ-OE1 3.21Å; R207-E287 VanDerWaalsContact CZ-OE1 3.24Å; R207-E287 IonicContact NE-OE1 3.17Å; R207-E287 IonicContact NH1-OE1 2.96Å; R207-E287 PolarHBondContact NH1-OE1 2.85Å; V208-E287 HydrophobicContact CG2-CB 4.21Å; Y285-E287 VanDerWaalsContact C-N 3.31Å; Y285-E287 PolarHBondContact O-N 3.31Å; E287-S290 PolarHBondContact O-N 3.36Å; E287-A291 WeakPolarHBondContact O-CB 3.23Å; E287-A291 PolarHBondContact O-N 3.32Å
288	F	98.1	Very high	97.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-46.8	168.5	171.8	-100.2	0	0	0	111.5	F194 I198 V208 T210 V214 A281 Y285 S290 A291 L292	F194-F288 AromaticContact CZ-CE2 3.9Å; F194-F288 HydrophobicContact CZ-CE2 3.9Å; F194-F288 HydrophobicContact CZ-CZ 4.1Å; I198-F288 HydrophobicContact CD1-CD2 4.02Å; I198-F288 HydrophobicContact CD1-CE2 3.98Å; I198-F288 HydrophobicContact CG1-CE2 4.46Å; V208-F288 WeakPolarHBondContact O-CB 3.48Å; V208-F288 WeakPolarHBondContact O-CD2 3.41Å; T210-F288 HydrophobicContact CG2-CB 3.74Å; T210-F288 HydrophobicContact CG2-CD1 3.73Å; T210-F288 HydrophobicContact CG2-CD2 3.49Å; T210-F288 VanDerWaalsContact CG2-CD2 3.49Å; T210-F288 HydrophobicContact CG2-CE1 4.22Å; T210-F288 HydrophobicContact CG2-CE2 3.99Å; T210-F288 HydrophobicContact CG2-CG 3.35Å; T210-F288 HydrophobicContact CG2-CZ 4.33Å; V214-F288 HydrophobicContact CB-CE2 4.34Å; V214-F288 HydrophobicContact CB-CZ 4.08Å; V214-F288 HydrophobicContact CG1-CE2 4.48Å; V214-F288 HydrophobicContact CG1-CZ 3.92Å; V214-F288 HydrophobicContact CG2-CZ 4.19Å; A281-F288 HydrophobicContact CB-CD1 4.01Å; A281-F288 HydrophobicContact CB-CE1 3.81Å; Y285-F288 WeakPolarHBondContact O-CB 3.34Å; Y285-F288 PolarHBondContact O-N 3.05Å; F288-S290 VanDerWaalsContact C-N 3.26Å; F288-S290 PolarHBondContact O-N 3.1Å; F288-A291 PolarHBondContact O-N 3.26Å; F288-A291 VanDerWaalsContact O-N 3.12Å; F288-L292 HydrophobicContact CE1-CD2 4.37Å; F288-L292 WeakPolarHBondContact O-CB 3.39Å; F288-L292 PolarHBondContact O-N 2.99Å
289	A	97.6	Very high	97.2	Very high	9 Å²	9	63.5 Å²	63.5	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-38	178.6	0	0	0	0	0	112	C282 Y285 P286 R293	C282-A289 HydrophobicContact CB-CB 4.08Å; C282-A289 WeakPolarHBondContact O-CB 3.2Å; Y285-A289 PolarHBondContact O-N 3.2Å; P286-A289 WeakPolarHBondContact O-CB 3.41Å; P286-A289 PolarHBondContact O-N 3.27Å; A289-R293 WeakPolarHBondContact O-CG 3.48Å; A289-R293 PolarHBondContact O-N 3.22Å
290	S	97.9	Very high	97.1	Very high	66 Å²	66	60.3 Å²	60.3	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-67.9	-41.5	174	-164.3	0	0	0	0	112.6	P286 E287 F288 R293 S294	P286-S290 PolarHBondContact O-N 3.49Å; E287-S290 PolarHBondContact O-N 3.36Å; F288-S290 VanDerWaalsContact C-N 3.26Å; F288-S290 PolarHBondContact O-N 3.1Å; S290-R293 PolarHBondContact O-N 2.9Å; S290-S294 PolarHBondContact O-N 3.18Å
291	A	97.5	Very high	96.9	Very high	6 Å²	6	64.3 Å²	64.3	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-45.1	175.8	0	0	0	0	0	111	F197 I198 V208 E287 F288 R293 S294 F295	F197-A291 HydrophobicContact CE1-CB 4.07Å; F197-A291 VanDerWaalsContact CE1-O 3.26Å; F197-A291 WeakPolarHBondContact CE1-O 3.35Å; I198-A291 HydrophobicContact CD1-CB 4.09Å; V208-A291 HydrophobicContact CG1-CB 3.8Å; E287-A291 WeakPolarHBondContact O-CB 3.23Å; E287-A291 PolarHBondContact O-N 3.32Å; F288-A291 PolarHBondContact O-N 3.26Å; F288-A291 VanDerWaalsContact O-N 3.12Å; A291-R293 PolarHBondContact O-N 2.91Å; A291-S294 PolarHBondContact O-N 3.12Å; A291-F295 PolarHBondContact O-N 2.96Å
292	L	97.8	Very high	96.7	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-48.2	176.1	178.6	62.4	0	0	0	111.3	F194 I278 C282 F288 S294 F295 E296 L305	F194-L292 HydrophobicContact CD2-CD1 4.33Å; F194-L292 HydrophobicContact CE2-CD1 3.53Å; F194-L292 HydrophobicContact CZ-CD1 3.94Å; I278-L292 HydrophobicContact CG2-CD2 4.1Å; C282-L292 WeakPolarHBondContact SG-CD2 3.24Å; F288-L292 HydrophobicContact CE1-CD2 4.37Å; F288-L292 WeakPolarHBondContact O-CB 3.39Å; F288-L292 PolarHBondContact O-N 2.99Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.06Å; L292-F295 WeakPolarHBondContact O-CB 3.49Å; L292-F295 PolarHBondContact O-N 3.16Å; L292-F295 VanDerWaalsContact O-N 3.07Å; L292-E296 HydrophobicContact CD1-CG 4.15Å; L292-E296 HydrophobicContact CG-CG 4.27Å; L292-E296 WeakPolarHBondContact O-CG 3.45Å; L292-E296 PolarHBondContact O-N 3.36Å; L292-L305 HydrophobicContact CD1-CB 3.86Å; L292-L305 HydrophobicContact CD1-CD1 3.7Å; L292-L305 HydrophobicContact CD1-CG 4.33Å
293	R	97.8	Very high	96.6	Very high	115 Å²	115	67.8 Å²	67.8	43%	0.434	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-44.2	176.4	-77.5	-173.2	-67.3	-121.1	-1.1	112.6	A289 S290 A291 F295 E296 E297	A289-R293 WeakPolarHBondContact O-CG 3.48Å; A289-R293 PolarHBondContact O-N 3.22Å; S290-R293 PolarHBondContact O-N 2.9Å; A291-R293 PolarHBondContact O-N 2.91Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.97Å; R293-E296 PolarHBondContact O-N 2.98Å; R293-E297 WeakPolarHBondContact O-CG 3.23Å; R293-E297 PolarHBondContact O-N 3.21Å
294	S	97.6	Very high	96.6	Very high	42 Å²	42	62.1 Å²	62.1	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-35.6	176.1	175.6	0	0	0	0	112.3	S290 A291 L292 D298	S290-S294 PolarHBondContact O-N 3.18Å; A291-S294 PolarHBondContact O-N 3.12Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.06Å; S294-D298 PolarHBondContact O-N 3.15Å
295	F	97.8	Very high	96.6	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-71.5	-42.3	174.6	-175	-89.6	0	0	0	111.9	A189 D193 F194 F197 A291 L292 R293 E297 D298 R299 F300 L305	A189-F295 WeakPolarHBondContact O-CZ 3.41Å; D193-F295 HydrophobicContact CB-CE2 4.29Å; D193-F295 HydrophobicContact CB-CZ 4.31Å; F194-F295 HydrophobicContact CB-CD1 4.32Å; F194-F295 HydrophobicContact CB-CD2 4.5Å; F194-F295 HydrophobicContact CB-CE1 3.75Å; F194-F295 HydrophobicContact CB-CE2 3.95Å; F194-F295 HydrophobicContact CB-CZ 3.54Å; F194-F295 HydrophobicContact CD2-CB 4.34Å; F194-F295 AromaticContact CD2-CD1 3.76Å; F194-F295 HydrophobicContact CD2-CD1 3.76Å; F194-F295 HydrophobicContact CD2-CD2 4.18Å; F194-F295 HydrophobicContact CD2-CE1 4.07Å; F194-F295 HydrophobicContact CD2-CE2 4.45Å; F194-F295 AromaticContact CD2-CG 3.82Å; F194-F295 HydrophobicContact CD2-CG 3.82Å; F194-F295 HydrophobicContact CD2-CZ 4.4Å; F194-F295 HydrophobicContact CG-CD1 4.48Å; F194-F295 HydrophobicContact CG-CE1 4.35Å; F194-F295 HydrophobicContact CG-CZ 4.49Å; F197-F295 HydrophobicContact CB-CD2 3.95Å; F197-F295 HydrophobicContact CB-CE2 4.18Å; F197-F295 HydrophobicContact CD1-CB 4.06Å; F197-F295 AromaticContact CD1-CD2 3.85Å; F197-F295 HydrophobicContact CD1-CD2 3.85Å; F197-F295 HydrophobicContact CD1-CG 4.33Å; F197-F295 HydrophobicContact CD2-CD2 4.26Å; F197-F295 HydrophobicContact CE1-CB 3.87Å; F197-F295 HydrophobicContact CE1-CD2 4.42Å; F197-F295 AromaticContact CG-CD2 3.76Å; F197-F295 HydrophobicContact CG-CD2 3.76Å; F197-F295 HydrophobicContact CG-CE2 4.46Å; F197-F295 HydrophobicContact CZ-CB 4.32Å; A291-F295 PolarHBondContact O-N 2.96Å; L292-F295 WeakPolarHBondContact O-CB 3.49Å; L292-F295 PolarHBondContact O-N 3.16Å; L292-F295 VanDerWaalsContact O-N 3.07Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.97Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 2.86Å; F295-D298 PolarHBondContact O-N 3.49Å; F295-R299 HydrophobicContact CD1-CB 4.3Å; F295-R299 HydrophobicContact CD1-CG 4.44Å; F295-R299 HydrophobicContact CD2-CG 4.16Å; F295-R299 HydrophobicContact CE1-CB 3.9Å; F295-R299 HydrophobicContact CE1-CG 4.01Å; F295-R299 HydrophobicContact CE2-CB 4.5Å; F295-R299 HydrophobicContact CE2-CG 3.71Å; F295-R299 HydrophobicContact CZ-CB 4.01Å; F295-R299 HydrophobicContact CZ-CG 3.62Å; F295-R299 WeakPolarHBondContact O-CB 3.41Å; F295-R299 PolarHBondContact O-N 3.45Å; F295-F300 HydrophobicContact CD1-CD2 4.48Å; F295-F300 HydrophobicContact CD1-CE2 4.07Å; F295-F300 HydrophobicContact CE1-CD2 4.37Å; F295-F300 AromaticContact CE1-CE2 3.64Å; F295-F300 HydrophobicContact CE1-CE2 3.64Å; F295-F300 AromaticContact CE1-CZ 3.99Å; F295-F300 HydrophobicContact CE1-CZ 3.99Å; F295-L305 HydrophobicContact CD1-CD1 4.49Å
296	E	97.5	Very high	96.5	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-39.7	177.2	-71.2	170.9	156.8	0	0	112	L292 R293 F300 N301 G302 L304 L305	L292-E296 HydrophobicContact CD1-CG 4.15Å; L292-E296 HydrophobicContact CG-CG 4.27Å; L292-E296 WeakPolarHBondContact O-CG 3.45Å; L292-E296 PolarHBondContact O-N 3.36Å; R293-E296 PolarHBondContact O-N 2.98Å; E296-F300 HydrophobicContact CG-CD2 4.42Å; E296-F300 CarbonylContact O-C 3.44Å; E296-F300 VanDerWaalsContact O-CA 3.3Å; E296-F300 WeakPolarHBondContact O-CA 3.38Å; E296-F300 WeakPolarHBondContact O-CB 3.32Å; E296-F300 PolarHBondContact O-N 3.03Å; E296-N301 PolarHBondContact O-N 3.09Å; E296-N301 VanDerWaalsContact O-N 3.13Å; E296-G302 PolarHBondContact O-N 3.02Å; E296-L304 WeakPolarHBondContact OE1-CA 3.47Å; E296-L305 HydrophobicContact CG-CB 4.2Å; E296-L305 PolarHBondContact OE1-N 3.28Å
297	E	97.1	Very high	96.4	Very high	132 Å²	132	55.4 Å²	55.4	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-46.4	174.8	-74.9	171.1	-173.5	0	0	112.1	R293 F295	R293-E297 WeakPolarHBondContact O-CG 3.23Å; R293-E297 PolarHBondContact O-N 3.21Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 2.86Å
298	D	96	Very high	96.3	Very high	103 Å²	103	53.7 Å²	53.7	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-73.9	-46.5	-177.9	178.2	72.6	0	0	0	113.2	S294 F295	S294-D298 PolarHBondContact O-N 3.15Å; F295-D298 PolarHBondContact O-N 3.49Å
299	R	94.8	Very high	96.2	Very high	130 Å²	130	53.7 Å²	53.7	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-95.6	-26.9	-171.3	-68.5	-60.9	-166.3	-123.4	10.9	114.4	F295	F295-R299 HydrophobicContact CD1-CB 4.3Å; F295-R299 HydrophobicContact CD1-CG 4.44Å; F295-R299 HydrophobicContact CD2-CG 4.16Å; F295-R299 HydrophobicContact CE1-CB 3.9Å; F295-R299 HydrophobicContact CE1-CG 4.01Å; F295-R299 HydrophobicContact CE2-CB 4.5Å; F295-R299 HydrophobicContact CE2-CG 3.71Å; F295-R299 HydrophobicContact CZ-CB 4.01Å; F295-R299 HydrophobicContact CZ-CG 3.62Å; F295-R299 WeakPolarHBondContact O-CB 3.41Å; F295-R299 PolarHBondContact O-N 3.45Å
300	F	94.5	Very high	96.1	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-124.1	13.5	-173.5	-56	-47.8	0	0	0	113.4	A189 L190 F295 E296 G302 L303 L305 Q308	A189-F300 HydrophobicContact CB-CE1 3.97Å; A189-F300 HydrophobicContact CB-CZ 3.97Å; L190-F300 HydrophobicContact CD2-CE2 4.13Å; L190-F300 HydrophobicContact CD2-CZ 3.76Å; L190-F300 HydrophobicContact CG-CZ 4.19Å; F295-F300 HydrophobicContact CD1-CD2 4.48Å; F295-F300 HydrophobicContact CD1-CE2 4.07Å; F295-F300 HydrophobicContact CE1-CD2 4.37Å; F295-F300 AromaticContact CE1-CE2 3.64Å; F295-F300 HydrophobicContact CE1-CE2 3.64Å; F295-F300 AromaticContact CE1-CZ 3.99Å; F295-F300 HydrophobicContact CE1-CZ 3.99Å; E296-F300 HydrophobicContact CG-CD2 4.42Å; E296-F300 CarbonylContact O-C 3.44Å; E296-F300 VanDerWaalsContact O-CA 3.3Å; E296-F300 WeakPolarHBondContact O-CA 3.38Å; E296-F300 WeakPolarHBondContact O-CB 3.32Å; E296-F300 PolarHBondContact O-N 3.03Å; F300-G302 PolarHBondContact O-N 3.14Å; F300-L303 HydrophobicContact CB-CB 4.2Å; F300-L303 VanDerWaalsContact CB-O 3.31Å; F300-L303 WeakPolarHBondContact CB-O 3.45Å; F300-L303 WeakPolarHBondContact O-CB 3.45Å; F300-L303 WeakPolarHBondContact O-CG 3.25Å; F300-L303 PolarHBondContact O-N 3.16Å; F300-L305 HydrophobicContact CE2-CB 4.24Å; F300-L305 HydrophobicContact CE2-CD1 4.31Å; F300-L305 HydrophobicContact CE2-CG 4.23Å; F300-Q308 HydrophobicContact CD1-CG 3.86Å; F300-Q308 HydrophobicContact CD2-CG 3.86Å; F300-Q308 HydrophobicContact CE1-CG 3.95Å; F300-Q308 HydrophobicContact CE2-CG 3.94Å; F300-Q308 HydrophobicContact CG-CG 3.83Å; F300-Q308 HydrophobicContact CZ-CB 4.41Å; F300-Q308 HydrophobicContact CZ-CG 3.99Å
301	N	93.9	Very high	96	Very high	153 Å²	153	52.7 Å²	52.7	82%	0.818	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.3	-178.7	-62.2	-47	0	0	0	112.9	E296	E296-N301 PolarHBondContact O-N 3.09Å; E296-N301 VanDerWaalsContact O-N 3.13Å
302	G	92.5	Very high	96	Very high	44 Å²	44	52.5 Å²	52.5	45%	0.454	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	1.4	-179.8	0	0	0	0	0	115.3	E296 F300	E296-G302 PolarHBondContact O-N 3.02Å; F300-G302 PolarHBondContact O-N 3.14Å
303	L	94.4	Very high	95.9	Very high	70 Å²	70	55.3 Å²	55.3	37%	0.366	28%	0.28	S	S	.	.			trans	-73.9	135.5	170.1	-64.5	172.8	0	0	0	110.5	F300 Q308	F300-L303 HydrophobicContact CB-CB 4.2Å; F300-L303 VanDerWaalsContact CB-O 3.31Å; F300-L303 WeakPolarHBondContact CB-O 3.45Å; F300-L303 WeakPolarHBondContact O-CB 3.45Å; F300-L303 WeakPolarHBondContact O-CG 3.25Å; F300-L303 PolarHBondContact O-N 3.16Å; L303-Q308 VanDerWaalsContact CB-NE2 3.3Å
304	L	96.2	Very high	95.8	Very high	74 Å²	74	52 Å²	52	39%	0.387	27%	0.269	S	S	.	.			trans	-64	136.8	-176.4	-57.3	-177.1	0	0	0	112.2	E296 V306 H307 Q308	E296-L304 WeakPolarHBondContact OE1-CA 3.47Å; L304-V306 PolarHBondContact O-N 2.76Å; L304-H307 WeakPolarHBondContact O-CB 3.43Å; L304-H307 PolarHBondContact O-N 2.93Å; L304-Q308 PolarHBondContact O-N 3.43Å
305	L	97	Very high	95.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-38.2	176.6	-176.8	150.3	0	0	0	111.4	L190 F194 L218 I278 L292 F295 E296 F300 H307 Q308 L309	L190-L305 HydrophobicContact CD2-CD1 4.09Å; L190-L305 HydrophobicContact CD2-CD2 4.12Å; L190-L305 HydrophobicContact CD2-CG 3.65Å; F194-L305 HydrophobicContact CB-CD1 4.41Å; F194-L305 HydrophobicContact CD1-CD1 4.08Å; F194-L305 HydrophobicContact CD2-CD1 3.81Å; F194-L305 HydrophobicContact CE1-CD1 4.3Å; F194-L305 HydrophobicContact CE2-CD1 4.04Å; F194-L305 HydrophobicContact CG-CD1 3.83Å; F194-L305 HydrophobicContact CZ-CD1 4.26Å; L218-L305 HydrophobicContact CD1-CD1 4.46Å; L218-L305 HydrophobicContact CD1-CD2 3.89Å; L218-L305 HydrophobicContact CD2-CD2 4.4Å; I278-L305 HydrophobicContact CD1-CD2 3.89Å; L292-L305 HydrophobicContact CD1-CB 3.86Å; L292-L305 HydrophobicContact CD1-CD1 3.7Å; L292-L305 HydrophobicContact CD1-CG 4.33Å; F295-L305 HydrophobicContact CD1-CD1 4.49Å; E296-L305 HydrophobicContact CG-CB 4.2Å; E296-L305 PolarHBondContact OE1-N 3.28Å; F300-L305 HydrophobicContact CE2-CB 4.24Å; F300-L305 HydrophobicContact CE2-CD1 4.31Å; F300-L305 HydrophobicContact CE2-CG 4.23Å; L305-H307 VanDerWaalsContact C-N 3.27Å; L305-H307 PolarHBondContact O-N 2.91Å; L305-Q308 WeakPolarHBondContact O-CB 3.3Å; L305-Q308 PolarHBondContact O-N 2.98Å; L305-L309 PolarHBondContact O-N 3Å
306	V	95.9	Very high	95.7	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-38.9	177.4	175.9	0	0	0	0	111.5	I278 L279 L304 Q308 L309	I278-V306 HydrophobicContact CB-CG2 4.06Å; I278-V306 HydrophobicContact CD1-CG2 4.24Å; I278-V306 HydrophobicContact CG2-CG2 3.63Å; L279-V306 HydrophobicContact CD2-CG2 4.29Å; L279-V306 HydrophobicContact CG-CG2 4.36Å; L304-V306 PolarHBondContact O-N 2.76Å; V306-Q308 VanDerWaalsContact C-N 3.34Å; V306-L309 WeakPolarHBondContact O-CB 3.3Å; V306-L309 PolarHBondContact O-N 3.45Å
307	H	94.2	Very high	95.6	Very high	104 Å²	104	52.6 Å²	52.6	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-72.8	-28.8	175.9	-58.4	159.2	0	0	0	111.9	L304 L305 L309 D310	L304-H307 WeakPolarHBondContact O-CB 3.43Å; L304-H307 PolarHBondContact O-N 2.93Å; L305-H307 VanDerWaalsContact C-N 3.27Å; L305-H307 PolarHBondContact O-N 2.91Å; H307-L309 PolarHBondContact O-N 3.35Å; H307-D310 VanDerWaalsContact O-CB 3.27Å; H307-D310 WeakPolarHBondContact O-CB 3.3Å; H307-D310 PolarHBondContact O-N 3.44Å; H307-D310 VanDerWaalsContact O-N 3.09Å; H307-D310 VanDerWaalsContact O-OD2 3.11Å
308	Q	96	Very high	95.6	Very high	20 Å²	20	49.7 Å²	49.7	9%	0.093	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-24.9	174.5	-57.4	-56.6	-28.8	0	0	112	L190 F300 L303 L304 L305 V306 D310 C311	L190-Q308 HydrophobicContact CD1-CB 4.24Å; L190-Q308 HydrophobicContact CD2-CB 4.06Å; F300-Q308 HydrophobicContact CD1-CG 3.86Å; F300-Q308 HydrophobicContact CD2-CG 3.86Å; F300-Q308 HydrophobicContact CE1-CG 3.95Å; F300-Q308 HydrophobicContact CE2-CG 3.94Å; F300-Q308 HydrophobicContact CG-CG 3.83Å; F300-Q308 HydrophobicContact CZ-CB 4.41Å; F300-Q308 HydrophobicContact CZ-CG 3.99Å; L303-Q308 VanDerWaalsContact CB-NE2 3.3Å; L304-Q308 PolarHBondContact O-N 3.43Å; L305-Q308 WeakPolarHBondContact O-CB 3.3Å; L305-Q308 PolarHBondContact O-N 2.98Å; V306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-D310 PolarHBondContact O-N 3.22Å; Q308-D310 VanDerWaalsContact O-N 3.16Å; Q308-C311 VanDerWaalsContact O-CB 3.3Å; Q308-C311 WeakPolarHBondContact O-CB 3.38Å; Q308-C311 PolarHBondContact O-N 2.86Å; Q308-C311 PolarHBondContact O-SG 3.23Å
309	L	96.4	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.3	174.8	-55.3	-179.6	0	0	0	113	L190 L218 L222 F267 K271 L274 I278 L305 V306 H307 C311	L190-L309 HydrophobicContact CD1-CD2 4.22Å; L190-L309 HydrophobicContact CD2-CD2 4.34Å; L218-L309 HydrophobicContact CD2-CD2 3.66Å; L222-L309 HydrophobicContact CD1-CD2 4.47Å; F267-L309 HydrophobicContact CZ-CB 4.11Å; F267-L309 HydrophobicContact CZ-CD2 4.04Å; K271-L309 HydrophobicContact CD-CB 4.32Å; K271-L309 HydrophobicContact CG-CB 4.13Å; L274-L309 HydrophobicContact CD2-CD1 4.39Å; I278-L309 HydrophobicContact CD1-CD1 4.05Å; L305-L309 PolarHBondContact O-N 3Å; V306-L309 WeakPolarHBondContact O-CB 3.3Å; V306-L309 PolarHBondContact O-N 3.45Å; H307-L309 PolarHBondContact O-N 3.35Å; L309-C311 PolarHBondContact O-N 3.23Å
310	D	94.6	Very high	95.8	Very high	44 Å²	44	39.4 Å²	39.4	24%	0.235	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.4	173.3	-67.2	-57.5	0	0	0	112.8	K271 H307 Q308 V312 H313 Q314	K271-D310 VanDerWaalsContact CE-OD1 3.31Å; K271-D310 WeakPolarHBondContact CE-OD1 3.24Å; K271-D310 IonicContact NZ-OD1 2.69Å; K271-D310 PolarHBondContact NZ-OD1 3.02Å; H307-D310 VanDerWaalsContact O-CB 3.27Å; H307-D310 WeakPolarHBondContact O-CB 3.3Å; H307-D310 PolarHBondContact O-N 3.44Å; H307-D310 VanDerWaalsContact O-N 3.09Å; H307-D310 VanDerWaalsContact O-OD2 3.11Å; Q308-D310 PolarHBondContact O-N 3.22Å; Q308-D310 VanDerWaalsContact O-N 3.16Å; D310-V312 PolarHBondContact O-N 2.92Å; D310-V312 VanDerWaalsContact O-N 3.1Å; D310-H313 PolarHBondContact O-N 2.71Å; D310-H313 VanDerWaalsContact O-N 3.15Å; D310-Q314 WeakPolarHBondContact O-CG 3.42Å; D310-Q314 PolarHBondContact O-N 3.32Å; D310-Q314 VanDerWaalsContact O-N 3.15Å
311	C	96	Very high	95.8	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-29.8	-175.2	72.1	0	0	0	0	113.4	Y183 Q308 L309 Q314 R315	Y183-C311 HydrophobicContact CD2-CB 4.18Å; Y183-C311 HydrophobicContact CE2-CB 3.93Å; Y183-C311 WeakPolarHBondContact CE2-O 3.41Å; Y183-C311 VanDerWaalsContact CE2-SG 3.53Å; Q308-C311 VanDerWaalsContact O-CB 3.3Å; Q308-C311 WeakPolarHBondContact O-CB 3.38Å; Q308-C311 PolarHBondContact O-N 2.86Å; Q308-C311 PolarHBondContact O-SG 3.23Å; L309-C311 PolarHBondContact O-N 3.23Å; C311-Q314 PolarHBondContact O-N 3.15Å; C311-R315 WeakPolarHBondContact O-CB 3.42Å; C311-R315 PolarHBondContact O-N 2.93Å
312	V	97.1	Very high	95.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-48.2	178.5	177.3	0	0	0	0	111.5	Y183 L187 L222 L225 F267 L268 D310 R315 I316	Y183-V312 WeakPolarHBondContact OH-CA 3.33Å; Y183-V312 WeakPolarHBondContact OH-CG2 3.26Å; L187-V312 HydrophobicContact CD2-CG2 4.15Å; L222-V312 HydrophobicContact CD2-CG2 4.19Å; L225-V312 HydrophobicContact CD1-CG1 4.13Å; L225-V312 HydrophobicContact CD1-CG2 4.49Å; F267-V312 HydrophobicContact CD1-CB 3.82Å; F267-V312 HydrophobicContact CD1-CG1 3.81Å; F267-V312 HydrophobicContact CD1-CG2 3.66Å; F267-V312 HydrophobicContact CE1-CB 3.87Å; F267-V312 HydrophobicContact CE1-CG1 4.38Å; F267-V312 HydrophobicContact CE1-CG2 3.55Å; F267-V312 HydrophobicContact CZ-CG2 4.34Å; L268-V312 HydrophobicContact CD1-CG1 4.47Å; L268-V312 HydrophobicContact CD2-CB 4.12Å; L268-V312 HydrophobicContact CD2-CG1 4.02Å; L268-V312 HydrophobicContact CG-CG1 4.09Å; D310-V312 PolarHBondContact O-N 2.92Å; D310-V312 VanDerWaalsContact O-N 3.1Å; V312-R315 PolarHBondContact O-N 3.21Å; V312-I316 PolarHBondContact O-N 2.87Å
313	H	95.6	Very high	96.1	Very high	65 Å²	65	32.7 Å²	32.7	30%	0.301	17%	0.165	S	C	.	.	H	α-helix	trans	-66.9	-42.6	177.4	-175.9	-160.1	0	0	0	110.5	L268 D310 R315 I316 C317 E355	L268-H313 HydrophobicContact CD1-CB 4.23Å; L268-H313 HydrophobicContact CD2-CB 3.79Å; D310-H313 PolarHBondContact O-N 2.71Å; D310-H313 VanDerWaalsContact O-N 3.15Å; H313-R315 VanDerWaalsContact C-N 3.27Å; H313-R315 PolarHBondContact O-N 3.13Å; H313-I316 PolarHBondContact O-N 2.55Å; H313-C317 PolarHBondContact O-N 3.25Å; H313-E355 IonicContact CE1-OE2 2.87Å; H313-E355 IonicContact NE2-OE2 3.72Å
314	Q	95.8	Very high	96.2	Very high	46 Å²	46	32.4 Å²	32.4	22%	0.215	16%	0.164	C	C	.	.	H	α-helix	trans	-58.4	-39	178.1	-65.1	170.4	22.8	0	0	112.2	H136 D310 C311 C317 R318	H136-Q314 PolarHBondContact CE1-NE2 2.94Å; H136-Q314 PolarHBondContact NE2-NE2 3.42Å; D310-Q314 WeakPolarHBondContact O-CG 3.42Å; D310-Q314 PolarHBondContact O-N 3.32Å; D310-Q314 VanDerWaalsContact O-N 3.15Å; C311-Q314 PolarHBondContact O-N 3.15Å; Q314-C317 PolarHBondContact O-N 3.32Å; Q314-R318 WeakPolarHBondContact O-CB 3.41Å; Q314-R318 PolarHBondContact O-N 3.2Å
315	R	97.6	Very high	96.2	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.045	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-45.6	179.8	-173.3	66.5	-171.5	162.5	3.6	111.9	T179 E180 Y183 C311 V312 H313 C317 R318 Y319	T179-R315 PolarHBondContact OG1-NH1 3.46Å; E180-R315 IonicContact OE2-CZ 2.91Å; E180-R315 IonicContact OE2-NE 3.44Å; E180-R315 PolarHBondContact OE2-NE 2.91Å; E180-R315 IonicContact OE2-NH2 3.74Å; E180-R315 PolarHBondContact OE2-NH2 3.42Å; Y183-R315 HydrophobicContact CD1-CB 4.26Å; Y183-R315 HydrophobicContact CD1-CG 3.71Å; Y183-R315 HydrophobicContact CD2-CB 4.19Å; Y183-R315 HydrophobicContact CD2-CG 4.45Å; Y183-R315 HydrophobicContact CE1-CB 3.96Å; Y183-R315 HydrophobicContact CE1-CG 3.67Å; Y183-R315 HydrophobicContact CE2-CB 3.9Å; Y183-R315 HydrophobicContact CE2-CG 4.42Å; Y183-R315 HydrophobicContact CG-CB 4.36Å; Y183-R315 HydrophobicContact CG-CG 4.11Å; C311-R315 WeakPolarHBondContact O-CB 3.42Å; C311-R315 PolarHBondContact O-N 2.93Å; V312-R315 PolarHBondContact O-N 3.21Å; H313-R315 VanDerWaalsContact C-N 3.27Å; H313-R315 PolarHBondContact O-N 3.13Å; R315-C317 VanDerWaalsContact C-N 3.31Å; R315-C317 PolarHBondContact O-N 3.19Å; R315-R318 WeakPolarHBondContact O-CB 3.49Å; R315-R318 PolarHBondContact O-N 2.84Å; R315-Y319 HydrophobicContact CG-CE2 3.79Å; R315-Y319 VanDerWaalsContact NE-CZ 3.33Å; R315-Y319 PolarHBondContact NE-OH 3.13Å; R315-Y319 VanDerWaalsContact NH2-CE1 3.32Å; R315-Y319 WeakPolarHBondContact O-CD2 3.47Å; R315-Y319 PolarHBondContact O-N 3.28Å
316	I	96.9	Very high	96.1	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-56.6	-46.6	176.6	-64.4	-57.2	0	0	0	110.9	L261 V312 H313 R318 P320 A351 I354	L261-I316 HydrophobicContact CB-CD1 3.87Å; L261-I316 HydrophobicContact CD1-CD1 4.48Å; L261-I316 HydrophobicContact CD2-CD1 4.18Å; L261-I316 HydrophobicContact CG-CD1 4.41Å; V312-I316 PolarHBondContact O-N 2.87Å; H313-I316 PolarHBondContact O-N 2.55Å; I316-R318 PolarHBondContact O-N 3.09Å; I316-P320 WeakPolarHBondContact O-CD 3.26Å; I316-A351 HydrophobicContact CG2-CB 3.85Å; I316-I354 HydrophobicContact CD1-CD1 4.22Å; I316-I354 HydrophobicContact CG1-CD1 4.12Å; I316-I354 HydrophobicContact CG2-CD1 3.84Å
317	C	95.9	Very high	96	Very high	56 Å²	56	31.5 Å²	31.5	38%	0.378	16%	0.161	S	C	.	.	H	α-helix	trans	-69.2	-19.1	178	-64	0	0	0	0	113.5	H313 Q314 R315 L321	H313-C317 PolarHBondContact O-N 3.25Å; Q314-C317 PolarHBondContact O-N 3.32Å; R315-C317 VanDerWaalsContact C-N 3.31Å; R315-C317 PolarHBondContact O-N 3.19Å; C317-L321 WeakPolarHBondContact O-CG 3.26Å
318	R	96	Very high	96	Very high	71 Å²	71	33.9 Å²	33.9	27%	0.268	17%	0.17	S	C	.	.	H	α-helix	trans	-81.2	-32.1	-177.3	-169.8	62.3	173.2	-171	-2.7	112.8	Q314 R315 I316 L321 L322	Q314-R318 WeakPolarHBondContact O-CB 3.41Å; Q314-R318 PolarHBondContact O-N 3.2Å; R315-R318 WeakPolarHBondContact O-CB 3.49Å; R315-R318 PolarHBondContact O-N 2.84Å; I316-R318 PolarHBondContact O-N 3.09Å; R318-L321 WeakPolarHBondContact O-CB 3.46Å; R318-L321 PolarHBondContact O-N 2.88Å; R318-L321 VanDerWaalsContact O-N 3.16Å; R318-L322 HydrophobicContact CG-CD1 3.89Å; R318-L322 HydrophobicContact CG-CG 4.12Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 3.42Å
319	Y	97.9	Very high	95.8	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-48.1	-177.4	-64.8	-69	0	0	0	113.7	E180 H229 L254 L261 R315 L321 L322 L323 L347	E180-Y319 PolarHBondContact OE1-OH 3.5Å; E180-Y319 WeakPolarHBondContact OE2-CE1 3.42Å; E180-Y319 PolarHBondContact OE2-OH 3.43Å; H229-Y319 PolarHBondContact CE1-OH 2.9Å; H229-Y319 PolarHBondContact ND1-OH 3.41Å; L254-Y319 HydrophobicContact CD1-CD1 4.11Å; L254-Y319 HydrophobicContact CD2-CD1 3.64Å; L254-Y319 HydrophobicContact CD2-CE1 3.59Å; L261-Y319 HydrophobicContact CD1-CD2 3.9Å; L261-Y319 HydrophobicContact CD1-CE2 3.66Å; L261-Y319 HydrophobicContact CD2-CE2 4.05Å; R315-Y319 HydrophobicContact CG-CE2 3.79Å; R315-Y319 VanDerWaalsContact NE-CZ 3.33Å; R315-Y319 PolarHBondContact NE-OH 3.13Å; R315-Y319 VanDerWaalsContact NH2-CE1 3.32Å; R315-Y319 WeakPolarHBondContact O-CD2 3.47Å; R315-Y319 PolarHBondContact O-N 3.28Å; Y319-L321 PolarHBondContact O-N 2.88Å; Y319-L322 PolarHBondContact O-N 3.15Å; Y319-L323 PolarHBondContact O-N 3.07Å; Y319-L347 HydrophobicContact CG-CD1 4.2Å
320	P	96.5	Very high	95.6	Very high	16 Å²	16	35.2 Å²	35.2	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-34.7	176	-26.7	37.1	0	0	0	113.3	I316 N324 L347 E348	I316-P320 WeakPolarHBondContact O-CD 3.26Å; P320-N324 VanDerWaalsContact O-CB 3.24Å; P320-N324 WeakPolarHBondContact O-CB 3.44Å; P320-N324 PolarHBondContact O-N 3.47Å; P320-L347 HydrophobicContact CG-CB 4.08Å; P320-E348 HydrophobicContact CB-CG 3.81Å; P320-E348 HydrophobicContact CG-CG 4.04Å
321	L	96.3	Very high	95.4	Very high	63 Å²	63	36.2 Å²	36.2	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-41.7	178.3	-57.2	177.9	0	0	0	112.2	C317 R318 Y319 T325	C317-L321 WeakPolarHBondContact O-CG 3.26Å; R318-L321 WeakPolarHBondContact O-CB 3.46Å; R318-L321 PolarHBondContact O-N 2.88Å; R318-L321 VanDerWaalsContact O-N 3.16Å; Y319-L321 PolarHBondContact O-N 2.88Å; L321-T325 PolarHBondContact O-N 2.75Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.12Å
322	L	96.1	Very high	95.1	Very high	7 Å²	7	43 Å²	43	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-46.5	176.1	-70.7	168.1	0	0	0	110.5	E175 M176 R318 Y319 N324 T325 Y326	E175-L322 HydrophobicContact CG-CD2 4Å; M176-L322 HydrophobicContact CE-CB 3.8Å; M176-L322 HydrophobicContact CG-CB 4.05Å; M176-L322 HydrophobicContact CG-CD1 4.11Å; M176-L322 HydrophobicContact CG-CD2 4.32Å; M176-L322 HydrophobicContact CG-CG 4.39Å; R318-L322 HydrophobicContact CG-CD1 3.89Å; R318-L322 HydrophobicContact CG-CG 4.12Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 3.42Å; Y319-L322 PolarHBondContact O-N 3.15Å; L322-N324 PolarHBondContact O-N 3.47Å; L322-T325 PolarHBondContact O-N 3.44Å; L322-Y326 WeakPolarHBondContact O-CB 3.47Å; L322-Y326 PolarHBondContact O-N 3.05Å
323	L	96.8	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-40.3	177	-75.2	171.4	0	0	0	112.6	M176 T251 L254 Y319 T325 Y326 L327 A343 K344 L347	M176-L323 HydrophobicContact CE-CD2 4.15Å; M176-L323 HydrophobicContact CE-CG 4.47Å; T251-L323 HydrophobicContact CG2-CD2 3.6Å; L254-L323 HydrophobicContact CD1-CD1 4.13Å; L254-L323 HydrophobicContact CD1-CD2 4.03Å; L254-L323 HydrophobicContact CD1-CG 4.03Å; Y319-L323 PolarHBondContact O-N 3.07Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 2.89Å; L323-Y326 WeakPolarHBondContact O-CB 3.45Å; L323-Y326 PolarHBondContact O-N 3.42Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.25Å; L323-L327 PolarHBondContact O-N 3.35Å; L323-A343 HydrophobicContact CD1-CB 3.99Å; L323-A343 HydrophobicContact CD2-CB 4.49Å; L323-K344 HydrophobicContact CB-CB 4.06Å; L323-K344 HydrophobicContact CB-CG 4.35Å; L323-K344 HydrophobicContact CD1-CB 4.09Å; L323-L347 HydrophobicContact CD1-CD1 3.53Å
324	N	96.3	Very high	94.5	Very high	64 Å²	64	49.6 Å²	49.6	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-38.4	174.9	-171.2	51.9	0	0	0	112.2	P320 L322 K328	P320-N324 VanDerWaalsContact O-CB 3.24Å; P320-N324 WeakPolarHBondContact O-CB 3.44Å; P320-N324 PolarHBondContact O-N 3.47Å; L322-N324 PolarHBondContact O-N 3.47Å; N324-K328 PolarHBondContact O-N 3.2Å
325	T	94.9	Very high	94.1	Very high	61 Å²	61	54.2 Å²	54.2	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-70.7	-35.9	175.5	-50.1	0	0	0	0	111.4	V172 L321 L322 L323 K328 Y329	V172-T325 HydrophobicContact CG1-CG2 4.42Å; V172-T325 HydrophobicContact CG2-CG2 3.72Å; L321-T325 PolarHBondContact O-N 2.75Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.12Å; L322-T325 PolarHBondContact O-N 3.44Å; L323-T325 VanDerWaalsContact C-N 3.29Å; L323-T325 PolarHBondContact O-N 2.89Å; T325-K328 WeakPolarHBondContact O-CB 3.37Å; T325-K328 PolarHBondContact O-N 3.34Å; T325-Y329 HydrophobicContact CG2-CE2 4.16Å; T325-Y329 VanDerWaalsContact O-CD2 3.28Å; T325-Y329 WeakPolarHBondContact O-CD2 3.49Å
326	Y	94.8	Very high	93.8	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-49.3	176.4	-168.1	-99.5	0	0	0	111.3	L169 V172 A173 M176 I250 T251 L322 L323 K328 Y329 L330 E336	L169-Y326 HydrophobicContact CD1-CD1 4.09Å; L169-Y326 HydrophobicContact CD1-CD2 3.5Å; L169-Y326 HydrophobicContact CD1-CE1 3.95Å; L169-Y326 HydrophobicContact CD1-CE2 3.33Å; L169-Y326 HydrophobicContact CD1-CG 3.87Å; L169-Y326 WeakPolarHBondContact CD1-O 3.36Å; L169-Y326 HydrophobicContact CG-CD2 4.31Å; L169-Y326 HydrophobicContact CG-CE2 3.74Å; V172-Y326 HydrophobicContact CB-CD2 4.21Å; V172-Y326 HydrophobicContact CG1-CD2 3.95Å; V172-Y326 HydrophobicContact CG1-CG 4.44Å; A173-Y326 HydrophobicContact CB-CE2 4.17Å; M176-Y326 HydrophobicContact CE-CD2 4.15Å; M176-Y326 HydrophobicContact CE-CG 4.04Å; I250-Y326 HydrophobicContact CG2-CE1 4.23Å; I250-Y326 HydrophobicContact CG2-CE2 3.82Å; I250-Y326 WeakPolarHBondContact CG2-OH 3.26Å; T251-Y326 HydrophobicContact CG2-CD1 3.7Å; T251-Y326 HydrophobicContact CG2-CE1 3.64Å; L322-Y326 WeakPolarHBondContact O-CB 3.47Å; L322-Y326 PolarHBondContact O-N 3.05Å; L323-Y326 WeakPolarHBondContact O-CB 3.45Å; L323-Y326 PolarHBondContact O-N 3.42Å; Y326-K328 PolarHBondContact O-N 2.78Å; Y326-K328 VanDerWaalsContact O-N 3.15Å; Y326-Y329 PolarHBondContact O-N 3.34Å; Y326-L330 HydrophobicContact CD1-CB 4.47Å; Y326-L330 HydrophobicContact CD1-CD2 4.16Å; Y326-L330 HydrophobicContact CE1-CB 4.46Å; Y326-L330 HydrophobicContact CE1-CD1 3.9Å; Y326-L330 HydrophobicContact CE1-CD2 3.88Å; Y326-L330 HydrophobicContact CE1-CG 4.32Å; Y326-L330 WeakPolarHBondContact O-CB 3.31Å; Y326-L330 PolarHBondContact O-N 3.22Å; Y326-E336 PolarHBondContact OH-OE2 3.05Å
327	L	95	Very high	93.7	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-24.8	176.2	-77	165.3	0	0	0	113.8	L323 Y329 L330 Y337 A340 I341 K344	L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.25Å; L323-L327 PolarHBondContact O-N 3.35Å; L327-Y329 VanDerWaalsContact C-N 3.3Å; L327-Y329 PolarHBondContact O-N 3.03Å; L327-L330 HydrophobicContact CD2-CD2 4.36Å; L327-Y337 HydrophobicContact CD2-CD2 4.05Å; L327-Y337 HydrophobicContact CD2-CE2 3.85Å; L327-A340 HydrophobicContact CD2-CB 3.6Å; L327-A340 HydrophobicContact CG-CB 4.16Å; L327-I341 HydrophobicContact CD1-CD1 3.71Å; L327-I341 HydrophobicContact CD1-CG1 4.41Å; L327-I341 HydrophobicContact CD2-CD1 3.74Å; L327-I341 HydrophobicContact CD2-CG1 3.8Å; L327-I341 HydrophobicContact CG-CD1 4.35Å; L327-K344 HydrophobicContact CD1-CB 4.22Å; L327-K344 HydrophobicContact CD1-CD 3.65Å
328	K	93.7	Very high	93.7	Very high	154 Å²	154	58 Å²	58	67%	0.67	29%	0.291	S	S	*	.	H	α-helix	trans	-64.7	-33.5	174.7	-174.8	-179.2	176.3	-176.6	0	112.5	N324 T325 Y326	N324-K328 PolarHBondContact O-N 3.2Å; T325-K328 WeakPolarHBondContact O-CB 3.37Å; T325-K328 PolarHBondContact O-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.78Å; Y326-K328 VanDerWaalsContact O-N 3.15Å
329	Y	92.2	Very high	93.6	Very high	36 Å²	36	56.4 Å²	56.4	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-108.1	-12.1	-175.5	-57	-61.4	0	0	0	113.4	S165 K168 V172 T325 Y326 L327	S165-Y329 PolarHBondContact OG-O 2.98Å; S165-Y329 VanDerWaalsContact OG-O 3.12Å; K168-Y329 HydrophobicContact CB-CD1 3.86Å; K168-Y329 HydrophobicContact CB-CD2 3.88Å; K168-Y329 HydrophobicContact CB-CE1 3.96Å; K168-Y329 HydrophobicContact CB-CE2 3.95Å; K168-Y329 HydrophobicContact CB-CG 3.83Å; K168-Y329 HydrophobicContact CD-CD1 3.98Å; K168-Y329 HydrophobicContact CD-CE1 3.43Å; K168-Y329 VanDerWaalsContact CD-CE1 3.43Å; K168-Y329 HydrophobicContact CG-CE1 4.29Å; V172-Y329 HydrophobicContact CG2-CD2 4.13Å; V172-Y329 HydrophobicContact CG2-CE2 4.26Å; T325-Y329 HydrophobicContact CG2-CE2 4.16Å; T325-Y329 VanDerWaalsContact O-CD2 3.28Å; T325-Y329 WeakPolarHBondContact O-CD2 3.49Å; Y326-Y329 PolarHBondContact O-N 3.34Å; L327-Y329 VanDerWaalsContact C-N 3.3Å; L327-Y329 PolarHBondContact O-N 3.03Å
330	L	91.5	Very high	93.5	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	29%	0.288	C	S	.	.	S	Bend	trans	-74.3	127.9	179.4	-171.9	66.4	0	0	0	110.7	L169 Y326 L327 K332 E336 Y337 A340	L169-L330 HydrophobicContact CD1-CB 4.01Å; L169-L330 HydrophobicContact CD1-CD1 4.24Å; L169-L330 HydrophobicContact CD2-CD1 3.89Å; Y326-L330 HydrophobicContact CD1-CB 4.47Å; Y326-L330 HydrophobicContact CD1-CD2 4.16Å; Y326-L330 HydrophobicContact CE1-CB 4.46Å; Y326-L330 HydrophobicContact CE1-CD1 3.9Å; Y326-L330 HydrophobicContact CE1-CD2 3.88Å; Y326-L330 HydrophobicContact CE1-CG 4.32Å; Y326-L330 WeakPolarHBondContact O-CB 3.31Å; Y326-L330 PolarHBondContact O-N 3.22Å; L327-L330 HydrophobicContact CD2-CD2 4.36Å; L330-K332 PolarHBondContact O-N 3.13Å; L330-E336 HydrophobicContact CD1-CB 4.26Å; L330-E336 HydrophobicContact CD2-CB 4.18Å; L330-E336 HydrophobicContact CD2-CG 4.15Å; L330-Y337 HydrophobicContact CB-CD2 4.3Å; L330-Y337 HydrophobicContact CD2-CD2 3.98Å; L330-Y337 HydrophobicContact CG-CD2 4.13Å; L330-A340 HydrophobicContact CD2-CB 3.87Å
331	P	90.3	Very high	93.5	Very high	65 Å²	65	59.2 Å²	59.2	42%	0.422	30%	0.301	S	S	.	.			trans	-60.3	130.9	176.4	-23.8	34.7	0	0	0	111.7	Q333 S334	P331-Q333 PolarHBondContact O-N 2.99Å; P331-S334 WeakPolarHBondContact O-CB 3.27Å; P331-S334 PolarHBondContact O-N 3.18Å; P331-S334 PolarHBondContact O-OG 2.97Å
332	K	90.4	Very high	93.6	Very high	152 Å²	152	61.8 Å²	61.8	66%	0.661	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.4	-178	-66.5	-175.4	176.6	179.7	0	113.6	L330 S334 Y337	L330-K332 PolarHBondContact O-N 3.13Å; K332-S334 VanDerWaalsContact C-N 3.34Å; K332-Y337 HydrophobicContact CB-CE2 4.45Å; K332-Y337 HydrophobicContact CG-CD2 4.38Å; K332-Y337 HydrophobicContact CG-CE1 4.41Å; K332-Y337 HydrophobicContact CG-CE2 3.86Å
333	Q	89.9	Confident	93.6	Very high	170 Å²	170	61.4 Å²	61.4	79%	0.794	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	179.1	-57.7	78.2	9.4	0	0	112.9	P331	P331-Q333 PolarHBondContact O-N 2.99Å
334	S	89.5	Confident	93.6	Very high	34 Å²	34	63.4 Å²	63.4	24%	0.238	32%	0.318	C	S	.	.	S	Bend	trans	-75.1	147.4	178.6	67.4	0	0	0	0	111.7	P331 K332 E336 Y337 P338	P331-S334 WeakPolarHBondContact O-CB 3.27Å; P331-S334 PolarHBondContact O-N 3.18Å; P331-S334 PolarHBondContact O-OG 2.97Å; K332-S334 VanDerWaalsContact C-N 3.34Å; S334-E336 PolarHBondContact O-N 3Å; S334-Y337 WeakPolarHBondContact O-CB 3.47Å; S334-Y337 PolarHBondContact O-N 3.21Å; S334-Y337 VanDerWaalsContact O-N 3.08Å; S334-Y337 PolarHBondContact OG-N 3.09Å; S334-P338 WeakPolarHBondContact O-CD 3.35Å
335	D	88.8	Confident	93.7	Very high	143 Å²	143	62.9 Å²	62.9	77%	0.765	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.4	174.2	-57.7	-39.3	0	0	0	112.4	P338	D335-P338 WeakPolarHBondContact O-CD 3.45Å; D335-P338 WeakPolarHBondContact O-CG 3.34Å
336	E	91.4	Very high	93.8	Very high	15 Å²	15	61.1 Å²	61.1	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-77.1	-27	176.6	-167.3	157.3	-169.3	0	0	113.4	L249 I250 T251 Y326 L330 S334 I339 A340	L249-E336 HydrophobicContact CB-CG 4.47Å; L249-E336 HydrophobicContact CD2-CB 3.35Å; L249-E336 HydrophobicContact CD2-CG 3.61Å; I250-E336 PolarHBondContact N-OE1 3.33Å; T251-E336 PolarHBondContact N-OE1 2.87Å; T251-E336 VanDerWaalsContact OG1-CG 3.28Å; T251-E336 WeakPolarHBondContact OG1-CG 3.45Å; T251-E336 PolarHBondContact OG1-OE1 3.31Å; Y326-E336 PolarHBondContact OH-OE2 3.05Å; L330-E336 HydrophobicContact CD1-CB 4.26Å; L330-E336 HydrophobicContact CD2-CB 4.18Å; L330-E336 HydrophobicContact CD2-CG 4.15Å; S334-E336 PolarHBondContact O-N 3Å; E336-I339 PolarHBondContact O-N 3.45Å; E336-I339 VanDerWaalsContact O-N 3.14Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.13Å
337	Y	94.1	Very high	94	Very high	55 Å²	55	61.2 Å²	61.2	22%	0.216	31%	0.312	C	S	.	.	H	α-helix	trans	-55.3	-50	-175.9	-164	-91.9	0	0	0	114	L327 L330 K332 S334 I339 A340 I341	L327-Y337 HydrophobicContact CD2-CD2 4.05Å; L327-Y337 HydrophobicContact CD2-CE2 3.85Å; L330-Y337 HydrophobicContact CB-CD2 4.3Å; L330-Y337 HydrophobicContact CD2-CD2 3.98Å; L330-Y337 HydrophobicContact CG-CD2 4.13Å; K332-Y337 HydrophobicContact CB-CE2 4.45Å; K332-Y337 HydrophobicContact CG-CD2 4.38Å; K332-Y337 HydrophobicContact CG-CE1 4.41Å; K332-Y337 HydrophobicContact CG-CE2 3.86Å; S334-Y337 WeakPolarHBondContact O-CB 3.47Å; S334-Y337 PolarHBondContact O-N 3.21Å; S334-Y337 VanDerWaalsContact O-N 3.08Å; S334-Y337 PolarHBondContact OG-N 3.09Å; Y337-I339 VanDerWaalsContact C-N 3.32Å; Y337-I339 PolarHBondContact O-N 3.05Å; Y337-A340 PolarHBondContact O-N 3.47Å; Y337-I341 HydrophobicContact CD1-CG1 4.13Å; Y337-I341 HydrophobicContact CE1-CD1 4.23Å; Y337-I341 HydrophobicContact CE1-CG1 3.86Å; Y337-I341 WeakPolarHBondContact O-CG1 3.33Å; Y337-I341 PolarHBondContact O-N 3.34Å; Y337-I341 VanDerWaalsContact O-N 3.07Å
338	P	94.9	Very high	94.1	Very high	81 Å²	81	62.3 Å²	62.3	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-38.8	176.4	23.5	-33.8	0	0	0	112.8	S334 D335 I341 E342	S334-P338 WeakPolarHBondContact O-CD 3.35Å; D335-P338 WeakPolarHBondContact O-CD 3.45Å; D335-P338 WeakPolarHBondContact O-CG 3.34Å; P338-I341 PolarHBondContact O-N 3.45Å; P338-E342 WeakPolarHBondContact O-CB 3.44Å; P338-E342 PolarHBondContact O-N 2.91Å
339	I	94.8	Very high	94.3	Very high	39 Å²	39	58.6 Å²	58.6	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-42	179.4	-61.4	172.5	0	0	0	110.6	L249 L255 E336 Y337 E342 A343	L249-I339 HydrophobicContact CD1-CD1 3.52Å; L255-I339 HydrophobicContact CD2-CG2 3.91Å; E336-I339 PolarHBondContact O-N 3.45Å; E336-I339 VanDerWaalsContact O-N 3.14Å; Y337-I339 VanDerWaalsContact C-N 3.32Å; Y337-I339 PolarHBondContact O-N 3.05Å; I339-E342 PolarHBondContact O-N 2.98Å; I339-A343 VanDerWaalsContact O-CB 3.31Å; I339-A343 WeakPolarHBondContact O-CB 3.33Å; I339-A343 PolarHBondContact O-N 2.93Å
340	A	95.3	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-37.6	177.9	0	0	0	0	0	112.4	T251 L327 L330 E336 Y337 K344	T251-A340 HydrophobicContact CG2-CB 3.79Å; L327-A340 HydrophobicContact CD2-CB 3.6Å; L327-A340 HydrophobicContact CG-CB 4.16Å; L330-A340 HydrophobicContact CD2-CB 3.87Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.13Å; Y337-A340 PolarHBondContact O-N 3.47Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 PolarHBondContact O-N 2.78Å
341	I	97	Very high	94.7	Very high	76 Å²	76	57.3 Å²	57.3	39%	0.39	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-46	173.6	-70.2	-72.3	0	0	0	110.6	L327 Y337 P338 K344 A345	L327-I341 HydrophobicContact CD1-CD1 3.71Å; L327-I341 HydrophobicContact CD1-CG1 4.41Å; L327-I341 HydrophobicContact CD2-CD1 3.74Å; L327-I341 HydrophobicContact CD2-CG1 3.8Å; L327-I341 HydrophobicContact CG-CD1 4.35Å; Y337-I341 HydrophobicContact CD1-CG1 4.13Å; Y337-I341 HydrophobicContact CE1-CD1 4.23Å; Y337-I341 HydrophobicContact CE1-CG1 3.86Å; Y337-I341 WeakPolarHBondContact O-CG1 3.33Å; Y337-I341 PolarHBondContact O-N 3.34Å; Y337-I341 VanDerWaalsContact O-N 3.07Å; P338-I341 PolarHBondContact O-N 3.45Å; I341-K344 PolarHBondContact O-N 2.87Å; I341-A345 PolarHBondContact O-N 3.34Å
342	E	97.2	Very high	94.9	Very high	116 Å²	116	56.3 Å²	56.3	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-46.6	177.8	-170.2	-177	173.8	0	0	111.5	L255 P338 I339 K344 A345 L346	L255-E342 HydrophobicContact CD1-CB 4.35Å; L255-E342 HydrophobicContact CD1-CG 3.83Å; P338-E342 WeakPolarHBondContact O-CB 3.44Å; P338-E342 PolarHBondContact O-N 2.91Å; I339-E342 PolarHBondContact O-N 2.98Å; E342-K344 VanDerWaalsContact C-N 3.27Å; E342-K344 PolarHBondContact O-N 3.42Å; E342-A345 PolarHBondContact O-N 2.84Å; E342-L346 WeakPolarHBondContact O-CB 3.4Å; E342-L346 PolarHBondContact O-N 3.48Å
343	A	97.4	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-39.9	175.6	0	0	0	0	0	111.7	L255 L323 I339 L347	L255-A343 HydrophobicContact CB-CB 4.05Å; L255-A343 HydrophobicContact CD1-CB 4.44Å; L323-A343 HydrophobicContact CD1-CB 3.99Å; L323-A343 HydrophobicContact CD2-CB 4.49Å; I339-A343 VanDerWaalsContact O-CB 3.31Å; I339-A343 WeakPolarHBondContact O-CB 3.33Å; I339-A343 PolarHBondContact O-N 2.93Å; A343-L347 WeakPolarHBondContact O-CB 3.39Å; A343-L347 VanDerWaalsContact O-CG 3.25Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 3.29Å
344	K	97.3	Very high	95.2	Very high	41 Å²	41	45.1 Å²	45.1	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-51.8	177.9	179.7	-176.3	165.5	-69.9	0	110.6	L323 L327 A340 I341 E342 L346 L347 E348	L323-K344 HydrophobicContact CB-CB 4.06Å; L323-K344 HydrophobicContact CB-CG 4.35Å; L323-K344 HydrophobicContact CD1-CB 4.09Å; L327-K344 HydrophobicContact CD1-CB 4.22Å; L327-K344 HydrophobicContact CD1-CD 3.65Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 PolarHBondContact O-N 2.78Å; I341-K344 PolarHBondContact O-N 2.87Å; E342-K344 VanDerWaalsContact C-N 3.27Å; E342-K344 PolarHBondContact O-N 3.42Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 3.43Å; K344-L347 PolarHBondContact O-N 2.9Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 HydrophobicContact CG-CG 4.5Å; K344-E348 IonicContact NZ-OE1 3.51Å; K344-E348 PolarHBondContact NZ-OE1 2.87Å; K344-E348 IonicContact NZ-OE2 3.17Å; K344-E348 PolarHBondContact NZ-OE2 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.31Å; K344-E348 PolarHBondContact O-N 3.22Å
345	A	97.5	Very high	95.3	Very high	53 Å²	53	47.4 Å²	47.4	44%	0.438	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-40.9	180	0	0	0	0	0	111.8	I341 E342 N349	I341-A345 PolarHBondContact O-N 3.34Å; E342-A345 PolarHBondContact O-N 2.84Å; A345-N349 WeakPolarHBondContact O-CB 3.49Å; A345-N349 PolarHBondContact O-N 3.32Å
346	L	98	Very high	95.4	Very high	24 Å²	24	44.3 Å²	44.3	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-48	174.2	174.6	61	0	0	0	111.5	L255 E342 K344 N349 V350	L255-L346 HydrophobicContact CD1-CD2 3.93Å; E342-L346 WeakPolarHBondContact O-CB 3.4Å; E342-L346 PolarHBondContact O-N 3.48Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 3.43Å; L346-N349 PolarHBondContact O-N 3.21Å; L346-V350 HydrophobicContact CD1-CG2 4.13Å; L346-V350 HydrophobicContact CG-CG2 4.4Å; L346-V350 WeakPolarHBondContact O-CB 3.33Å; L346-V350 WeakPolarHBondContact O-CG2 3.44Å; L346-V350 PolarHBondContact O-N 3.07Å
347	L	97.9	Very high	95.4	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-73.7	-29.4	-176.6	-67.4	171.4	0	0	0	113.2	L254 L261 Y319 P320 L323 A343 K344 A351	L254-L347 HydrophobicContact CB-CD1 3.98Å; L254-L347 HydrophobicContact CD1-CD1 4.28Å; L261-L347 HydrophobicContact CD1-CD2 3.46Å; L261-L347 VanDerWaalsContact CD1-CD2 3.46Å; Y319-L347 HydrophobicContact CG-CD1 4.2Å; P320-L347 HydrophobicContact CG-CB 4.08Å; L323-L347 HydrophobicContact CD1-CD1 3.53Å; A343-L347 WeakPolarHBondContact O-CB 3.39Å; A343-L347 VanDerWaalsContact O-CG 3.25Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 3.29Å; K344-L347 PolarHBondContact O-N 2.9Å; L347-A351 WeakPolarHBondContact O-CB 3.3Å; L347-A351 PolarHBondContact O-N 2.96Å
348	E	97.4	Very high	95.3	Very high	39 Å²	39	42.3 Å²	42.3	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-49.4	168.1	-74.5	173.3	150.7	0	0	110.4	P320 K344 V350 A351 L352	P320-E348 HydrophobicContact CB-CG 3.81Å; P320-E348 HydrophobicContact CG-CG 4.04Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 HydrophobicContact CG-CG 4.5Å; K344-E348 IonicContact NZ-OE1 3.51Å; K344-E348 PolarHBondContact NZ-OE1 2.87Å; K344-E348 IonicContact NZ-OE2 3.17Å; K344-E348 PolarHBondContact NZ-OE2 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.31Å; K344-E348 PolarHBondContact O-N 3.22Å; E348-V350 PolarHBondContact O-N 3.39Å; E348-A351 PolarHBondContact O-N 3.37Å; E348-L352 VanDerWaalsContact O-CG 3.23Å; E348-L352 WeakPolarHBondContact O-CG 3.49Å; E348-L352 PolarHBondContact O-N 3.37Å
349	N	96.9	Very high	95	Very high	76 Å²	76	42.4 Å²	42.4	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-45.7	175.2	-179.6	-59.9	0	0	0	112	A345 L346 A351 L352 E353	A345-N349 WeakPolarHBondContact O-CB 3.49Å; A345-N349 PolarHBondContact O-N 3.32Å; L346-N349 PolarHBondContact O-N 3.21Å; N349-A351 VanDerWaalsContact C-N 3.34Å; N349-A351 PolarHBondContact O-N 3.23Å; N349-L352 PolarHBondContact O-N 3.05Å; N349-L352 VanDerWaalsContact O-N 3.15Å; N349-E353 PolarHBondContact O-N 3.48Å; N349-E353 PolarHBondContact OD1-OE1 3.49Å
350	V	97.5	Very high	94.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-44.3	177.2	167.4	0	0	0	0	111.5	G258 L261 K262 L346 E348 L352 I354	G258-V350 WeakPolarHBondContact O-CG2 3.3Å; L261-V350 HydrophobicContact CB-CG1 4.15Å; K262-V350 HydrophobicContact CG-CG1 4Å; K262-V350 HydrophobicContact CG-CG2 4.08Å; L346-V350 HydrophobicContact CD1-CG2 4.13Å; L346-V350 HydrophobicContact CG-CG2 4.4Å; L346-V350 WeakPolarHBondContact O-CB 3.33Å; L346-V350 WeakPolarHBondContact O-CG2 3.44Å; L346-V350 PolarHBondContact O-N 3.07Å; E348-V350 PolarHBondContact O-N 3.39Å; V350-L352 VanDerWaalsContact C-N 3.33Å; V350-L352 PolarHBondContact O-N 3.36Å; V350-I354 HydrophobicContact CG1-CD1 3.75Å; V350-I354 WeakPolarHBondContact O-CB 3.39Å; V350-I354 WeakPolarHBondContact O-CD1 3.39Å; V350-I354 VanDerWaalsContact O-CG1 3.23Å; V350-I354 WeakPolarHBondContact O-CG1 3.38Å; V350-I354 PolarHBondContact O-N 3.06Å
351	A	95	Very high	94.6	Very high	20 Å²	20	46.1 Å²	46.1	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-42.4	177	0	0	0	0	0	111.6	I316 L347 E348 N349 I354 E355	I316-A351 HydrophobicContact CG2-CB 3.85Å; L347-A351 WeakPolarHBondContact O-CB 3.3Å; L347-A351 PolarHBondContact O-N 2.96Å; E348-A351 PolarHBondContact O-N 3.37Å; N349-A351 VanDerWaalsContact C-N 3.34Å; N349-A351 PolarHBondContact O-N 3.23Å; A351-I354 PolarHBondContact O-N 3.35Å; A351-E355 PolarHBondContact O-N 2.8Å
352	L	94.2	Very high	94.3	Very high	43 Å²	43	46 Å²	46	23%	0.225	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-42.7	178.9	-67.4	169.2	0	0	0	112.8	E348 N349 V350 I354 E355 N356 C496 D497	E348-L352 VanDerWaalsContact O-CG 3.23Å; E348-L352 WeakPolarHBondContact O-CG 3.49Å; E348-L352 PolarHBondContact O-N 3.37Å; N349-L352 PolarHBondContact O-N 3.05Å; N349-L352 VanDerWaalsContact O-N 3.15Å; V350-L352 VanDerWaalsContact C-N 3.33Å; V350-L352 PolarHBondContact O-N 3.36Å; L352-I354 VanDerWaalsContact C-N 3.35Å; L352-E355 PolarHBondContact O-N 2.98Å; L352-N356 WeakPolarHBondContact O-CB 3.44Å; L352-N356 VanDerWaalsContact O-CG 3.28Å; L352-N356 PolarHBondContact O-N 2.94Å; L352-N356 PolarHBondContact O-ND2 2.83Å; L352-C496 HydrophobicContact CB-CB 4.4Å; L352-C496 HydrophobicContact CD1-CB 3.85Å; L352-C496 HydrophobicContact CD2-CB 3.57Å; L352-C496 HydrophobicContact CG-CB 4.11Å; L352-D497 HydrophobicContact CD1-CB 3.56Å
353	E	93.8	Very high	94.1	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-40.3	174.1	-78.7	-170.4	-163.3	0	0	112.1	K262 N349 G357	K262-E353 WeakPolarHBondContact CD-OE2 3.47Å; K262-E353 WeakPolarHBondContact CE-OE2 3.33Å; K262-E353 IonicContact NZ-OE1 3.9Å; K262-E353 PolarHBondContact NZ-OE1 2.63Å; K262-E353 IonicContact NZ-OE2 3.99Å; K262-E353 PolarHBondContact NZ-OE2 3.4Å; N349-E353 PolarHBondContact O-N 3.48Å; N349-E353 PolarHBondContact OD1-OE1 3.49Å; E353-G357 WeakPolarHBondContact O-CA 3.35Å; E353-G357 PolarHBondContact O-N 3.26Å
354	I	94.3	Very high	93.9	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-49	175.6	-72.1	165.7	0	0	0	109.8	R265 L268 I316 V350 A351 L352 G357 L358	R265-I354 HydrophobicContact CB-CG1 4.38Å; L268-I354 HydrophobicContact CD1-CG2 3.75Å; I316-I354 HydrophobicContact CD1-CD1 4.22Å; I316-I354 HydrophobicContact CG1-CD1 4.12Å; I316-I354 HydrophobicContact CG2-CD1 3.84Å; V350-I354 HydrophobicContact CG1-CD1 3.75Å; V350-I354 WeakPolarHBondContact O-CB 3.39Å; V350-I354 WeakPolarHBondContact O-CD1 3.39Å; V350-I354 VanDerWaalsContact O-CG1 3.23Å; V350-I354 WeakPolarHBondContact O-CG1 3.38Å; V350-I354 PolarHBondContact O-N 3.06Å; A351-I354 PolarHBondContact O-N 3.35Å; L352-I354 VanDerWaalsContact C-N 3.35Å; I354-G357 CarbonylContact O-C 3.57Å; I354-G357 PolarHBondContact O-N 3.18Å; I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 HydrophobicContact CG2-CG 4.43Å; I354-L358 VanDerWaalsContact O-CG 3.25Å; I354-L358 WeakPolarHBondContact O-CG 3.28Å; I354-L358 PolarHBondContact O-N 2.89Å
355	E	90.7	Very high	93.7	Very high	82 Å²	82	49.2 Å²	49.2	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-51.5	179.5	-175.4	62.5	-156.5	0	0	111.7	H313 A351 L352 G357 L358 V359	H313-E355 IonicContact CE1-OE2 2.87Å; H313-E355 IonicContact NE2-OE2 3.72Å; A351-E355 PolarHBondContact O-N 2.8Å; L352-E355 PolarHBondContact O-N 2.98Å; E355-G357 VanDerWaalsContact C-N 3.27Å; E355-G357 PolarHBondContact O-N 3.31Å; E355-L358 WeakPolarHBondContact O-CB 3.25Å; E355-L358 PolarHBondContact O-N 3.3Å; E355-L358 VanDerWaalsContact O-N 3.09Å; E355-V359 WeakPolarHBondContact O-CG2 3.46Å; E355-V359 PolarHBondContact O-N 3.12Å
356	N	91	Very high	93.6	Very high	78 Å²	78	50.8 Å²	50.8	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-58.2	-43.2	176.3	-72	-25.1	0	0	0	111.2	L352 L358 V359 E360	L352-N356 WeakPolarHBondContact O-CB 3.44Å; L352-N356 VanDerWaalsContact O-CG 3.28Å; L352-N356 PolarHBondContact O-N 2.94Å; L352-N356 PolarHBondContact O-ND2 2.83Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.27Å; N356-V359 PolarHBondContact O-N 3.46Å; N356-E360 WeakPolarHBondContact O-CB 3.33Å; N356-E360 VanDerWaalsContact O-CG 3.32Å; N356-E360 WeakPolarHBondContact O-CG 3.32Å; N356-E360 PolarHBondContact O-N 3.23Å
357	G	91.3	Very high	93.5	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-26.9	178.2	0	0	0	0	0	114.5	R265 Q269 E353 I354 E355 G361	R265-G357 PolarHBondContact NE-O 3.41Å; R265-G357 PolarHBondContact NH2-O 2.82Å; Q269-G357 PolarHBondContact NE2-O 3.37Å; E353-G357 WeakPolarHBondContact O-CA 3.35Å; E353-G357 PolarHBondContact O-N 3.26Å; I354-G357 CarbonylContact O-C 3.57Å; I354-G357 PolarHBondContact O-N 3.18Å; E355-G357 VanDerWaalsContact C-N 3.27Å; E355-G357 PolarHBondContact O-N 3.31Å; G357-G361 PolarHBondContact O-N 3.43Å
358	L	91.6	Very high	93.4	Very high	27 Å²	27	56 Å²	56	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-73	-47	171.4	-71.3	168.2	0	0	0	110.7	L268 Q269 I354 E355 N356 E360 G361 D362	L268-L358 HydrophobicContact CB-CD1 4.03Å; L268-L358 HydrophobicContact CB-CD2 3.59Å; L268-L358 HydrophobicContact CB-CG 4.39Å; L268-L358 HydrophobicContact CD1-CD1 4.13Å; Q269-L358 HydrophobicContact CB-CD2 4.41Å; Q269-L358 HydrophobicContact CG-CD2 3.63Å; I354-L358 HydrophobicContact CG2-CD1 3.99Å; I354-L358 HydrophobicContact CG2-CG 4.43Å; I354-L358 VanDerWaalsContact O-CG 3.25Å; I354-L358 WeakPolarHBondContact O-CG 3.28Å; I354-L358 PolarHBondContact O-N 2.89Å; E355-L358 WeakPolarHBondContact O-CB 3.25Å; E355-L358 PolarHBondContact O-N 3.3Å; E355-L358 VanDerWaalsContact O-N 3.09Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.27Å; L358-E360 VanDerWaalsContact C-N 3.34Å; L358-E360 PolarHBondContact O-N 2.93Å; L358-G361 PolarHBondContact O-N 3.3Å; L358-D362 WeakPolarHBondContact O-CB 3.47Å; L358-D362 PolarHBondContact O-N 2.98Å
359	V	89.6	Confident	93.3	Very high	83 Å²	83	58.7 Å²	58.7	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-59	-45.7	176.3	174.6	0	0	0	0	111.2	E355 N356 D362 N363	E355-V359 WeakPolarHBondContact O-CG2 3.46Å; E355-V359 PolarHBondContact O-N 3.12Å; N356-V359 PolarHBondContact O-N 3.46Å; V359-D362 PolarHBondContact O-N 2.82Å; V359-N363 WeakPolarHBondContact O-CB 3.29Å; V359-N363 PolarHBondContact O-N 3.09Å
360	E	90.1	Very high	93.3	Very high	98 Å²	98	55.1 Å²	55.1	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-41.7	176.1	-72.6	178.7	167.9	0	0	112.3	N356 L358 N363 M364	N356-E360 WeakPolarHBondContact O-CB 3.33Å; N356-E360 VanDerWaalsContact O-CG 3.32Å; N356-E360 WeakPolarHBondContact O-CG 3.32Å; N356-E360 PolarHBondContact O-N 3.23Å; L358-E360 VanDerWaalsContact C-N 3.34Å; L358-E360 PolarHBondContact O-N 2.93Å; E360-N363 PolarHBondContact O-N 2.76Å; E360-M364 VanDerWaalsContact O-CB 3.3Å; E360-M364 WeakPolarHBondContact O-CB 3.45Å; E360-M364 PolarHBondContact O-N 3.46Å
361	G	90.6	Very high	93.2	Very high	19 Å²	19	57.6 Å²	57.6	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-44	176.7	0	0	0	0	0	112.2	G357 L358 M364 R365	G357-G361 PolarHBondContact O-N 3.43Å; L358-G361 PolarHBondContact O-N 3.3Å; G361-M364 PolarHBondContact O-N 3.08Å; G361-R365 WeakPolarHBondContact O-CB 3.39Å; G361-R365 PolarHBondContact O-N 3.34Å
362	D	90.6	Very high	93.2	Very high	74 Å²	74	66.9 Å²	66.9	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-39.9	175.3	-88	-21.6	0	0	0	112.5	L358 V359 R365 K366	L358-D362 WeakPolarHBondContact O-CB 3.47Å; L358-D362 PolarHBondContact O-N 2.98Å; V359-D362 PolarHBondContact O-N 2.82Å; D362-R365 PolarHBondContact O-N 3.31Å; D362-R365 IonicContact OD1-CZ 3.38Å; D362-R365 IonicContact OD1-NE 2.68Å; D362-R365 PolarHBondContact OD1-NE 2.72Å; D362-R365 IonicContact OD1-NH2 3.98Å; D362-R365 PolarHBondContact OD1-NH2 3.19Å; D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 3.33Å
363	N	93.6	Very high	93.3	Very high	33 Å²	33	67.5 Å²	67.5	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-49.9	174.3	-158.7	-91.8	0	0	0	110.6	V359 E360 R365 K366 M367 L387	V359-N363 WeakPolarHBondContact O-CB 3.29Å; V359-N363 PolarHBondContact O-N 3.09Å; E360-N363 PolarHBondContact O-N 2.76Å; N363-R365 PolarHBondContact O-N 2.77Å; N363-K366 WeakPolarHBondContact O-CB 3.46Å; N363-K366 PolarHBondContact O-N 3.44Å; N363-K366 VanDerWaalsContact O-N 3.15Å; N363-M367 WeakPolarHBondContact O-CG 3.47Å; N363-M367 PolarHBondContact O-N 3.27Å; N363-L387 PolarHBondContact ND2-N 2.9Å; N363-L387 PolarHBondContact ND2-O 3.37Å; N363-L387 PolarHBondContact OD1-N 3.24Å
364	M	93.6	Very high	93.4	Very high	77 Å²	77	64.2 Å²	64.2	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-43	179.3	-173.7	57.9	63.9	0	0	111.7	E360 G361 K366 M367 Y368 I381	E360-M364 VanDerWaalsContact O-CB 3.3Å; E360-M364 WeakPolarHBondContact O-CB 3.45Å; E360-M364 PolarHBondContact O-N 3.46Å; G361-M364 PolarHBondContact O-N 3.08Å; M364-K366 VanDerWaalsContact C-N 3.34Å; M364-K366 PolarHBondContact O-N 3.32Å; M364-M367 WeakPolarHBondContact O-CB 3.47Å; M364-M367 PolarHBondContact O-N 2.88Å; M364-M367 VanDerWaalsContact O-N 3.13Å; M364-Y368 HydrophobicContact CG-CD2 3.92Å; M364-Y368 HydrophobicContact CG-CE2 3.61Å; M364-Y368 VanDerWaalsContact O-CD2 3.24Å; M364-Y368 WeakPolarHBondContact O-CD2 3.35Å; M364-Y368 PolarHBondContact O-N 3.27Å; M364-Y368 HydrophobicContact SD-CD2 4.2Å; M364-Y368 HydrophobicContact SD-CE2 3.77Å; M364-I381 HydrophobicContact SD-CG2 4.05Å
365	R	92.6	Very high	93.3	Very high	113 Å²	113	69.1 Å²	69.1	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-43.3	174.9	-177.9	175.8	54.9	74	-1.8	111.9	G361 D362 N363 Y368 Q369	G361-R365 WeakPolarHBondContact O-CB 3.39Å; G361-R365 PolarHBondContact O-N 3.34Å; D362-R365 PolarHBondContact O-N 3.31Å; D362-R365 IonicContact OD1-CZ 3.38Å; D362-R365 IonicContact OD1-NE 2.68Å; D362-R365 PolarHBondContact OD1-NE 2.72Å; D362-R365 IonicContact OD1-NH2 3.98Å; D362-R365 PolarHBondContact OD1-NH2 3.19Å; N363-R365 PolarHBondContact O-N 2.77Å; R365-Y368 PolarHBondContact O-N 2.87Å; R365-Q369 WeakPolarHBondContact O-CG 3.39Å; R365-Q369 PolarHBondContact O-N 2.76Å; R365-Q369 VanDerWaalsContact O-N 3.07Å
366	K	94.7	Very high	93.2	Very high	87 Å²	87	67.6 Å²	67.6	38%	0.378	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-42.5	173.4	-71	176.5	-178	176.7	0	111.5	D362 N363 M364 Y368 Q369 I370 L387	D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 3.33Å; N363-K366 WeakPolarHBondContact O-CB 3.46Å; N363-K366 PolarHBondContact O-N 3.44Å; N363-K366 VanDerWaalsContact O-N 3.15Å; M364-K366 VanDerWaalsContact C-N 3.34Å; M364-K366 PolarHBondContact O-N 3.32Å; K366-Y368 VanDerWaalsContact C-N 3.35Å; K366-Y368 PolarHBondContact O-N 3.43Å; K366-Q369 WeakPolarHBondContact O-CB 3.45Å; K366-Q369 PolarHBondContact O-N 3.49Å; K366-Q369 VanDerWaalsContact O-N 3.12Å; K366-I370 WeakPolarHBondContact O-CD1 3.44Å; K366-I370 WeakPolarHBondContact O-CG1 3.48Å; K366-I370 PolarHBondContact O-N 2.9Å; K366-L387 HydrophobicContact CB-CD2 3.88Å; K366-L387 HydrophobicContact CD-CD2 4.17Å
367	M	96.3	Very high	93	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-42.6	176.4	-68.2	-179	77.1	0	0	112.1	N363 M364 Q369 I370 Q371 I380 I381 R385 L387 F409	N363-M367 WeakPolarHBondContact O-CG 3.47Å; N363-M367 PolarHBondContact O-N 3.27Å; M364-M367 WeakPolarHBondContact O-CB 3.47Å; M364-M367 PolarHBondContact O-N 2.88Å; M364-M367 VanDerWaalsContact O-N 3.13Å; M367-Q369 PolarHBondContact O-N 3.4Å; M367-I370 PolarHBondContact O-N 3.42Å; M367-Q371 WeakPolarHBondContact O-CB 3.5Å; M367-Q371 PolarHBondContact O-N 2.95Å; M367-I380 HydrophobicContact CE-CG2 4.25Å; M367-I380 VanDerWaalsContact CE-O 3.25Å; M367-I380 WeakPolarHBondContact CE-O 3.36Å; M367-I381 HydrophobicContact CB-CG1 4.21Å; M367-R385 HydrophobicContact CE-CB 4.28Å; M367-R385 HydrophobicContact CE-CG 3.99Å; M367-L387 HydrophobicContact CG-CB 4.3Å; M367-F409 HydrophobicContact CE-CE1 4.32Å
368	Y	95.7	Very high	93.1	Very high	136 Å²	136	73.4 Å²	73.4	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-42.2	172.3	-82.1	-69.1	0	0	0	112.7	M364 R365 K366 I370 Q371 R372 I381	M364-Y368 HydrophobicContact CG-CD2 3.92Å; M364-Y368 HydrophobicContact CG-CE2 3.61Å; M364-Y368 VanDerWaalsContact O-CD2 3.24Å; M364-Y368 WeakPolarHBondContact O-CD2 3.35Å; M364-Y368 PolarHBondContact O-N 3.27Å; M364-Y368 HydrophobicContact SD-CD2 4.2Å; M364-Y368 HydrophobicContact SD-CE2 3.77Å; R365-Y368 PolarHBondContact O-N 2.87Å; K366-Y368 VanDerWaalsContact C-N 3.35Å; K366-Y368 PolarHBondContact O-N 3.43Å; Y368-I370 VanDerWaalsContact C-N 3.31Å; Y368-I370 PolarHBondContact O-N 3.4Å; Y368-Q371 PolarHBondContact O-N 2.81Å; Y368-R372 WeakPolarHBondContact O-CG 3.29Å; Y368-R372 PolarHBondContact O-N 2.91Å; Y368-I381 HydrophobicContact CD1-CD1 3.4Å; Y368-I381 HydrophobicContact CD2-CD1 4.28Å; Y368-I381 HydrophobicContact CE1-CD1 3.36Å; Y368-I381 HydrophobicContact CE2-CD1 4.25Å; Y368-I381 HydrophobicContact CG-CD1 3.87Å
369	Q	95	Very high	93.2	Very high	96 Å²	96	78 Å²	78	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-39.2	176.3	-70.7	175.2	-2.5	0	0	111.8	R365 K366 M367 R373	R365-Q369 WeakPolarHBondContact O-CG 3.39Å; R365-Q369 PolarHBondContact O-N 2.76Å; R365-Q369 VanDerWaalsContact O-N 3.07Å; K366-Q369 WeakPolarHBondContact O-CB 3.45Å; K366-Q369 PolarHBondContact O-N 3.49Å; K366-Q369 VanDerWaalsContact O-N 3.12Å; M367-Q369 PolarHBondContact O-N 3.4Å; Q369-R373 WeakPolarHBondContact O-CG 3.46Å; Q369-R373 PolarHBondContact O-N 3.43Å
370	I	96.4	Very high	93.4	Very high	1 Å²	1	74 Å²	74	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-45.1	175	-68.4	158.4	0	0	0	110.9	K366 M367 Y368 R372 R373 M374 I380 L387 E390 L407	K366-I370 WeakPolarHBondContact O-CD1 3.44Å; K366-I370 WeakPolarHBondContact O-CG1 3.48Å; K366-I370 PolarHBondContact O-N 2.9Å; M367-I370 PolarHBondContact O-N 3.42Å; Y368-I370 VanDerWaalsContact C-N 3.31Å; Y368-I370 PolarHBondContact O-N 3.4Å; I370-R372 VanDerWaalsContact C-N 3.26Å; I370-R372 PolarHBondContact O-N 2.92Å; I370-R373 WeakPolarHBondContact O-CA 3.41Å; I370-R373 WeakPolarHBondContact O-CB 3.39Å; I370-R373 PolarHBondContact O-N 2.85Å; I370-M374 HydrophobicContact CG2-CE 3.44Å; I370-M374 VanDerWaalsContact CG2-CE 3.44Å; I370-M374 PolarHBondContact O-N 3.45Å; I370-I380 HydrophobicContact CG2-CD1 4.29Å; I370-I380 HydrophobicContact CG2-CG1 4.21Å; I370-I380 HydrophobicContact CG2-CG2 4.16Å; I370-L387 HydrophobicContact CD1-CD1 3.95Å; I370-L387 HydrophobicContact CD1-CD2 3.5Å; I370-L387 HydrophobicContact CD1-CG 4.32Å; I370-E390 WeakPolarHBondContact CD1-OE2 3.35Å; I370-L407 HydrophobicContact CD1-CD2 3.72Å; I370-L407 HydrophobicContact CG1-CD2 3.97Å; I370-L407 HydrophobicContact CG2-CD1 3.63Å; I370-L407 HydrophobicContact CG2-CD2 3.96Å; I370-L407 HydrophobicContact CG2-CG 4.46Å
371	Q	96.7	Very high	93.6	Very high	52 Å²	52	71 Å²	71	24%	0.243	33%	0.329	C	S	.	.	H	α-helix	trans	-55.1	-43.3	176.8	-176.1	66.5	53.2	0	0	111.1	M367 Y368 R373 M374 Y378 I380 I381	M367-Q371 WeakPolarHBondContact O-CB 3.5Å; M367-Q371 PolarHBondContact O-N 2.95Å; Y368-Q371 PolarHBondContact O-N 2.81Å; Q371-R373 PolarHBondContact O-N 3.46Å; Q371-M374 WeakPolarHBondContact O-CB 3.49Å; Q371-M374 PolarHBondContact O-N 2.79Å; Q371-M374 VanDerWaalsContact O-N 3.09Å; Q371-Y378 PolarHBondContact NE2-O 2.72Å; Q371-Y378 PolarHBondContact OE1-O 3.06Å; Q371-I380 VanDerWaalsContact OE1-CB 3.22Å; Q371-I381 HydrophobicContact CB-CD1 4.47Å
372	R	95.3	Very high	93.8	Very high	215 Å²	215	73.5 Å²	73.5	81%	0.811	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.9	176.5	-71.5	-179	67	-174.2	1.3	114.2	Y368 I370	Y368-R372 WeakPolarHBondContact O-CG 3.29Å; Y368-R372 PolarHBondContact O-N 2.91Å; I370-R372 VanDerWaalsContact C-N 3.26Å; I370-R372 PolarHBondContact O-N 2.92Å
373	R	95.6	Very high	93.8	Very high	57 Å²	57	76.4 Å²	76.4	22%	0.215	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.3	176.5	-67.3	166.1	64.6	-167.1	0.8	112.2	Q369 I370 Q371 E390 S424 M425 L426	Q369-R373 WeakPolarHBondContact O-CG 3.46Å; Q369-R373 PolarHBondContact O-N 3.43Å; I370-R373 WeakPolarHBondContact O-CA 3.41Å; I370-R373 WeakPolarHBondContact O-CB 3.39Å; I370-R373 PolarHBondContact O-N 2.85Å; Q371-R373 PolarHBondContact O-N 3.46Å; R373-E390 IonicContact NH1-OE2 2.74Å; R373-S424 PolarHBondContact NE-O 3.41Å; R373-M425 CarbonylContact O-C 3.59Å; R373-M425 WeakPolarHBondContact O-CA 3.32Å; R373-M425 WeakPolarHBondContact O-CE 3.46Å; R373-L426 HydrophobicContact CB-CD1 4.47Å; R373-L426 HydrophobicContact CB-CG 4.35Å; R373-L426 PolarHBondContact O-N 2.88Å
374	M	95.3	Very high	93.6	Very high	14 Å²	14	78.1 Å²	78.1	7%	0.069	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-76.2	130.8	-176.9	-65.4	-61.7	161.6	0	0	111.5	I370 Q371 I380 L407 M425 L426 I428	I370-M374 HydrophobicContact CG2-CE 3.44Å; I370-M374 VanDerWaalsContact CG2-CE 3.44Å; I370-M374 PolarHBondContact O-N 3.45Å; Q371-M374 WeakPolarHBondContact O-CB 3.49Å; Q371-M374 PolarHBondContact O-N 2.79Å; Q371-M374 VanDerWaalsContact O-N 3.09Å; M374-I380 HydrophobicContact CE-CD1 3.54Å; M374-I380 HydrophobicContact CE-CG1 3.97Å; M374-I380 HydrophobicContact CG-CD1 4.34Å; M374-I380 HydrophobicContact CG-CG1 3.95Å; M374-I380 HydrophobicContact SD-CD1 4.35Å; M374-L407 HydrophobicContact CE-CD1 3.35Å; M374-M425 WeakPolarHBondContact O-CE 3.2Å; M374-L426 HydrophobicContact CE-CD1 4.37Å; M374-L426 HydrophobicContact SD-CB 4.29Å; M374-I428 HydrophobicContact SD-CD1 4.34Å; M374-I428 HydrophobicContact SD-CG1 4.2Å
375	Q	92	Very high	93.6	Very high	106 Å²	106	75.3 Å²	75.3	50%	0.495	37%	0.369	S	S	.	.	S	Bend	trans	-71.6	-36.4	173.1	-173	-176.4	12.7	0	0	112.1	V419 L426	Q375-V419 HydrophobicContact CB-CG2 3.71Å; Q375-V419 HydrophobicContact CG-CG2 4.05Å; Q375-L426 PolarHBondContact N-O 2.82Å
376	S	88.8	Confident	93.7	Very high	51 Å²	51	74.7 Å²	74.7	36%	0.357	37%	0.37	S	S	.	.	S	Bend	trans	-92.3	167.4	179.3	58.2	0	0	0	0	111.2	Y378	S376-Y378 PolarHBondContact O-N 2.88Å
377	D	88.5	Confident	93.8	Very high	161 Å²	161	71.1 Å²	71.1	86%	0.861	36%	0.355	S	S	*	.			trans	-70.2	21.1	169.2	62	-26	0	0	0	113.7	E379	D377-E379 PolarHBondContact O-N 3.34Å
378	Y	92	Very high	93.8	Very high	40 Å²	40	75.2 Å²	75.2	16%	0.157	37%	0.373	C	S	.	.			trans	-65.2	122.7	-179.8	-174.1	-81.3	0	0	0	109.7	Q371 S376 I380 L414 I428	Q371-Y378 PolarHBondContact NE2-O 2.72Å; Q371-Y378 PolarHBondContact OE1-O 3.06Å; S376-Y378 PolarHBondContact O-N 2.88Å; Y378-I380 HydrophobicContact CD1-CD1 3.54Å; Y378-I380 HydrophobicContact CD1-CG1 4.03Å; Y378-I380 HydrophobicContact CE1-CD1 3.69Å; Y378-I380 HydrophobicContact CE1-CG1 4.48Å; Y378-I380 PolarHBondContact O-N 3.33Å; Y378-L414 HydrophobicContact CD1-CD1 4.41Å; Y378-L414 HydrophobicContact CE1-CD1 3.78Å; Y378-I428 HydrophobicContact CD1-CD1 3.56Å; Y378-I428 HydrophobicContact CD2-CD1 3.37Å; Y378-I428 HydrophobicContact CE1-CD1 4.03Å; Y378-I428 HydrophobicContact CE2-CD1 3.84Å; Y378-I428 HydrophobicContact CG-CD1 3.2Å
379	E	94.1	Very high	93.9	Very high	123 Å²	123	71.3 Å²	71.3	58%	0.575	36%	0.358	S	S	*	.			trans	-80.9	98.2	-179.4	-172.5	177	-154.7	0	0	110.5	D377 I381 Q382 R385	D377-E379 PolarHBondContact O-N 3.34Å; E379-I381 VanDerWaalsContact CG-O 3.3Å; E379-I381 WeakPolarHBondContact CG-O 3.46Å; E379-Q382 HydrophobicContact CG-CG 4.27Å; E379-Q382 PolarHBondContact O-NE2 3.01Å; E379-R385 PolarHBondContact O-NH1 3.33Å
380	I	94.5	Very high	94	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.351	C	S	.	.			trans	-72.4	-38.7	174.9	-61.8	-70.5	0	0	0	110.5	M367 I370 Q371 M374 Y378 Q382 R385 F409 L414	M367-I380 HydrophobicContact CE-CG2 4.25Å; M367-I380 VanDerWaalsContact CE-O 3.25Å; M367-I380 WeakPolarHBondContact CE-O 3.36Å; I370-I380 HydrophobicContact CG2-CD1 4.29Å; I370-I380 HydrophobicContact CG2-CG1 4.21Å; I370-I380 HydrophobicContact CG2-CG2 4.16Å; Q371-I380 VanDerWaalsContact OE1-CB 3.22Å; M374-I380 HydrophobicContact CE-CD1 3.54Å; M374-I380 HydrophobicContact CE-CG1 3.97Å; M374-I380 HydrophobicContact CG-CD1 4.34Å; M374-I380 HydrophobicContact CG-CG1 3.95Å; M374-I380 HydrophobicContact SD-CD1 4.35Å; Y378-I380 HydrophobicContact CD1-CD1 3.54Å; Y378-I380 HydrophobicContact CD1-CG1 4.03Å; Y378-I380 HydrophobicContact CE1-CD1 3.69Å; Y378-I380 HydrophobicContact CE1-CG1 4.48Å; Y378-I380 PolarHBondContact O-N 3.33Å; I380-Q382 PolarHBondContact O-N 3.5Å; I380-R385 VanDerWaalsContact O-CD 3.26Å; I380-R385 WeakPolarHBondContact O-CD 3.46Å; I380-F409 HydrophobicContact CD1-CE2 4.38Å; I380-F409 HydrophobicContact CD1-CZ 4.17Å; I380-F409 HydrophobicContact CG2-CE1 3.78Å; I380-F409 HydrophobicContact CG2-CZ 3.58Å; I380-L414 HydrophobicContact CD1-CD1 3.55Å
381	I	94.5	Very high	94	Very high	36 Å²	36	70.4 Å²	70.4	19%	0.185	36%	0.358	C	S	.	.			trans	-83.6	104.2	-175.4	-57.2	174.3	0	0	0	108.8	M364 M367 Y368 Q371 E379	M364-I381 HydrophobicContact SD-CG2 4.05Å; M367-I381 HydrophobicContact CB-CG1 4.21Å; Y368-I381 HydrophobicContact CD1-CD1 3.4Å; Y368-I381 HydrophobicContact CD2-CD1 4.28Å; Y368-I381 HydrophobicContact CE1-CD1 3.36Å; Y368-I381 HydrophobicContact CE2-CD1 4.25Å; Y368-I381 HydrophobicContact CG-CD1 3.87Å; Q371-I381 HydrophobicContact CB-CD1 4.47Å; E379-I381 VanDerWaalsContact CG-O 3.3Å; E379-I381 WeakPolarHBondContact CG-O 3.46Å
382	Q	93.3	Very high	93.9	Very high	70 Å²	70	73.5 Å²	73.5	33%	0.327	37%	0.373	S	S	.	.			trans	-130.1	151.4	178.3	-66.3	-176.7	-3.7	0	0	110.2	E379 I380 G384 R385	E379-Q382 HydrophobicContact CG-CG 4.27Å; E379-Q382 PolarHBondContact O-NE2 3.01Å; I380-Q382 PolarHBondContact O-N 3.5Å; Q382-G384 PolarHBondContact O-N 3.05Å; Q382-R385 HydrophobicContact CB-CB 4.15Å; Q382-R385 PolarHBondContact O-N 3.19Å
383	P	91.3	Very high	94	Very high	136 Å²	136	63.5 Å²	63.5	88%	0.883	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	133.2	175.2	-24.9	34.5	0	0	0	112	R385	P383-R385 PolarHBondContact O-N 3.11Å; P383-R385 VanDerWaalsContact O-N 3.09Å
384	G	89.5	Confident	94.1	Very high	69 Å²	69	64 Å²	64	71%	0.711	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-15	178.5	0	0	0	0	0	115.9	Q382 K386	Q382-G384 PolarHBondContact O-N 3.05Å; G384-K386 PolarHBondContact O-N 2.83Å
385	R	94.8	Very high	94.1	Very high	17 Å²	17	65.5 Å²	65.5	6%	0.064	35%	0.347	C	S	.	.			trans	-71.9	125.9	176.6	-179.8	174.2	-77.8	157.1	4.5	110.6	M367 E379 I380 Q382 P383 F409 D411	M367-R385 HydrophobicContact CE-CB 4.28Å; M367-R385 HydrophobicContact CE-CG 3.99Å; E379-R385 PolarHBondContact O-NH1 3.33Å; I380-R385 VanDerWaalsContact O-CD 3.26Å; I380-R385 WeakPolarHBondContact O-CD 3.46Å; Q382-R385 HydrophobicContact CB-CB 4.15Å; Q382-R385 PolarHBondContact O-N 3.19Å; P383-R385 PolarHBondContact O-N 3.11Å; P383-R385 VanDerWaalsContact O-N 3.09Å; R385-F409 HydrophobicContact CG-CB 3.88Å; R385-F409 HydrophobicContact CG-CD1 3.7Å; R385-F409 HydrophobicContact CG-CG 3.99Å; R385-D411 WeakPolarHBondContact CG-OD1 3.38Å; R385-D411 IonicContact CZ-OD1 2.74Å; R385-D411 IonicContact CZ-OD2 3.77Å; R385-D411 IonicContact NE-OD1 3.61Å; R385-D411 PolarHBondContact NE-OD1 3Å; R385-D411 IonicContact NE-OD2 3.96Å; R385-D411 PolarHBondContact NE-OD2 2.88Å; R385-D411 VanDerWaalsContact NE-OD2 3.13Å; R385-D411 IonicContact NH2-OD1 3.13Å; R385-D411 IonicContact NH2-OD2 3.26Å; R385-D411 PolarHBondContact NH2-OD2 2.98Å
386	K	93.9	Very high	94.2	Very high	101 Å²	101	61 Å²	61	44%	0.439	33%	0.326	S	S	.	.			trans	-121	139	175.8	-63.5	-178.2	179.5	-175	0	110.3	G384 F388 F409 S410	G384-K386 PolarHBondContact O-N 2.83Å; K386-F388 HydrophobicContact CB-CD1 4.36Å; K386-F388 HydrophobicContact CB-CE1 4.07Å; K386-F388 PolarHBondContact O-N 2.94Å; K386-F409 CarbonylContact O-C 3.48Å; K386-F409 WeakPolarHBondContact O-CA 3.06Å; K386-S410 PolarHBondContact N-OG 3.05Å; K386-S410 PolarHBondContact O-N 3.01Å
387	L	96.8	Very high	94.3	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.063	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.8	172.1	179.7	72.3	0	0	0	109.9	N363 K366 M367 I370 E390 L407 F409	N363-L387 PolarHBondContact ND2-N 2.9Å; N363-L387 PolarHBondContact ND2-O 3.37Å; N363-L387 PolarHBondContact OD1-N 3.24Å; K366-L387 HydrophobicContact CB-CD2 3.88Å; K366-L387 HydrophobicContact CD-CD2 4.17Å; M367-L387 HydrophobicContact CG-CB 4.3Å; I370-L387 HydrophobicContact CD1-CD1 3.95Å; I370-L387 HydrophobicContact CD1-CD2 3.5Å; I370-L387 HydrophobicContact CD1-CG 4.32Å; L387-E390 HydrophobicContact CD1-CB 4.41Å; L387-E390 HydrophobicContact CD2-CG 4.39Å; L387-L407 HydrophobicContact CD1-CD2 4.45Å; L387-F409 HydrophobicContact CB-CD1 4.19Å; L387-F409 HydrophobicContact CB-CE1 4.14Å; L387-F409 HydrophobicContact CD1-CD1 4.05Å; L387-F409 HydrophobicContact CD1-CE1 3.72Å; L387-F409 HydrophobicContact CD1-CZ 4.07Å
388	F	95.6	Very high	94.1	Very high	87 Å²	87	59 Å²	59	38%	0.382	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-42.8	176.5	-71.6	-7.8	0	0	0	112.4	K386 L408 A481 H484	K386-F388 HydrophobicContact CB-CD1 4.36Å; K386-F388 HydrophobicContact CB-CE1 4.07Å; K386-F388 PolarHBondContact O-N 2.94Å; F388-L408 HydrophobicContact CB-CD2 4.28Å; F388-L408 HydrophobicContact CB-CG 4.19Å; F388-L408 PolarHBondContact N-O 3.17Å; F388-A481 HydrophobicContact CD2-CB 3.73Å; F388-A481 HydrophobicContact CE2-CB 4.06Å; F388-H484 HydrophobicContact CE2-CB 4.49Å
389	K	97.4	Very high	93.8	Very high	53 Å²	53	64.5 Å²	64.5	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	145.9	179.1	-167.4	173.8	171.4	69.2	0	111.4	L408 W474 A477	K389-L408 HydrophobicContact CB-CB 4.26Å; K389-L408 HydrophobicContact CB-CD2 4.32Å; K389-L408 PolarHBondContact N-O 3.41Å; K389-L408 VanDerWaalsContact N-O 3.15Å; K389-L408 PolarHBondContact O-N 3.06Å; K389-W474 HydrophobicContact CB-CH2 4.18Å; K389-W474 HydrophobicContact CB-CZ3 3.92Å; K389-W474 HydrophobicContact CD-CD2 3.9Å; K389-W474 HydrophobicContact CD-CE3 3.63Å; K389-W474 HydrophobicContact CD-CH2 3.99Å; K389-W474 HydrophobicContact CD-CZ2 4.22Å; K389-W474 HydrophobicContact CD-CZ3 3.68Å; K389-W474 VanDerWaalsContact CE-CD2 3.48Å; K389-W474 VanDerWaalsContact CE-CE2 3.49Å; K389-W474 HydrophobicContact CG-CE3 4.21Å; K389-W474 HydrophobicContact CG-CH2 3.69Å; K389-W474 HydrophobicContact CG-CZ2 4.15Å; K389-W474 HydrophobicContact CG-CZ3 3.72Å; K389-A477 HydrophobicContact CD-CB 3.88Å
390	E	97	Very high	93.6	Very high	63 Å²	63	64.5 Å²	64.5	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.6	170	63.6	174.5	166.8	0	0	110.9	I370 R373 L387 F405 L406 L407	I370-E390 WeakPolarHBondContact CD1-OE2 3.35Å; R373-E390 IonicContact NH1-OE2 2.74Å; L387-E390 HydrophobicContact CD1-CB 4.41Å; L387-E390 HydrophobicContact CD2-CG 4.39Å; E390-F405 HydrophobicContact CB-CE1 3.93Å; E390-F405 HydrophobicContact CB-CZ 4.16Å; E390-F405 HydrophobicContact CG-CZ 4.43Å; E390-L406 VanDerWaalsContact CA-O 3.3Å; E390-L406 WeakPolarHBondContact CA-O 3.32Å; E390-L407 HydrophobicContact CB-CD2 3.8Å
391	G	96.7	Very high	93.5	Very high	16 Å²	16	68.3 Å²	68.3	17%	0.165	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	167.2	171.5	0	0	0	0	0	115	F405 L406	G391-F405 WeakPolarHBondContact O-CA 3.37Å; G391-L406 PolarHBondContact N-O 2.95Å; G391-L406 VanDerWaalsContact N-O 3.12Å; G391-L406 PolarHBondContact O-N 3.18Å
392	E	96.3	Very high	93.5	Very high	117 Å²	117	69 Å²	69	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.6	172.6	-61.1	-179.6	156.7	0	0	110.7	R404 F405 K466	E392-R404 WeakPolarHBondContact CA-O 3.4Å; E392-F405 HydrophobicContact CG-CD2 3.99Å; E392-F405 HydrophobicContact CG-CE2 4.11Å; E392-K466 IonicContact OE2-NZ 3.93Å; E392-K466 PolarHBondContact OE2-NZ 3.36Å; E392-K466 VanDerWaalsContact OE2-NZ 3.17Å
393	I	97.3	Very high	93.6	Very high	5 Å²	5	69 Å²	69	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.8	174.8	-162.2	159	0	0	0	109.9	R404 L406 F452 L463 L464	I393-R404 HydrophobicContact CG2-CB 4.01Å; I393-R404 PolarHBondContact N-O 2.7Å; I393-R404 CarbonylContact O-C 3.57Å; I393-R404 WeakPolarHBondContact O-CA 3.33Å; I393-R404 PolarHBondContact O-N 3.21Å; I393-L406 HydrophobicContact CD1-CD1 3.94Å; I393-L406 HydrophobicContact CG2-CD1 3.95Å; I393-L406 HydrophobicContact CG2-CG 3.73Å; I393-F452 HydrophobicContact CD1-CE1 3.64Å; I393-F452 HydrophobicContact CD1-CZ 3.78Å; I393-L463 HydrophobicContact CD1-CB 3.73Å; I393-L463 HydrophobicContact CD1-CD1 4.19Å; I393-L463 HydrophobicContact CD1-CD2 4.36Å; I393-L463 HydrophobicContact CD1-CG 4.32Å; I393-L463 HydrophobicContact CG1-CB 4.26Å; I393-L463 HydrophobicContact CG1-CD2 4.48Å; I393-L463 HydrophobicContact CG2-CD2 3.99Å; I393-L464 WeakPolarHBondContact CG1-O 3.35Å
394	M	97.1	Very high	93.9	Very high	66 Å²	66	64.1 Å²	64.1	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.1	173.8	-57.5	-56	-70.7	0	0	109.9	I401 H402 P403 L463 L464	M394-I401 HydrophobicContact CB-CG2 3.67Å; M394-I401 HydrophobicContact CE-CG2 3.76Å; M394-I401 HydrophobicContact CG-CG2 4.36Å; M394-H402 WeakPolarHBondContact CA-O 3.45Å; M394-P403 HydrophobicContact CE-CB 4.29Å; M394-P403 HydrophobicContact SD-CB 4.06Å; M394-L463 CarbonylContact O-C 3.6Å; M394-L463 WeakPolarHBondContact O-CA 3.38Å; M394-L464 HydrophobicContact CB-CB 4.06Å; M394-L464 HydrophobicContact CB-CD2 4.27Å; M394-L464 HydrophobicContact CB-CG 4.48Å; M394-L464 WeakPolarHBondContact CB-O 3.46Å; M394-L464 PolarHBondContact N-O 3.25Å; M394-L464 PolarHBondContact O-N 3.17Å
395	K	95.6	Very high	94.2	Very high	47 Å²	47	61.9 Å²	61.9	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.6	171.5	-177.3	-112.8	-169.9	121.5	0	109.5	S397 I401 H402 R404 Y415 I461 L463	K395-S397 VanDerWaalsContact CD-OG 3.27Å; K395-S397 WeakPolarHBondContact CD-OG 3.38Å; K395-S397 PolarHBondContact O-N 3.38Å; K395-I401 CarbonylContact O-C 3.43Å; K395-I401 WeakPolarHBondContact O-CA 3.43Å; K395-H402 PolarHBondContact N-O 2.98Å; K395-H402 PolarHBondContact O-N 3.45Å; K395-R404 HydrophobicContact CB-CG 3.7Å; K395-Y415 HydrophobicContact CB-CE2 4.08Å; K395-Y415 WeakPolarHBondContact CB-OH 3.44Å; K395-Y415 WeakPolarHBondContact CD-OH 3.34Å; K395-Y415 HydrophobicContact CG-CE2 4.09Å; K395-Y415 WeakPolarHBondContact CG-OH 3.34Å; K395-Y415 PolarHBondContact NZ-OH 2.81Å; K395-I461 HydrophobicContact CG-CG2 3.89Å; K395-L463 HydrophobicContact CB-CD2 4.33Å
396	H	92.8	Very high	94.4	Very high	11 Å²	11	61.1 Å²	61.1	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	96.1	173.3	-157.4	159	0	0	0	108.5	E451 I462 P543 D545 R546	H396-E451 IonicContact CE1-OE1 2.63Å; H396-E451 IonicContact CG-OE1 2.62Å; H396-E451 IonicContact ND1-OE1 2.95Å; H396-E451 PolarHBondContact ND1-OE1 3.47Å; H396-I462 HydrophobicContact CB-CB 4.18Å; H396-I462 HydrophobicContact CB-CG2 3.78Å; H396-I462 PolarHBondContact N-O 2.88Å; H396-P543 VanDerWaalsContact NE2-CB 3.34Å; H396-P543 WeakPolarHBondContact NE2-CB 3.38Å; H396-D545 IonicContact CE1-OD1 3.45Å; H396-D545 IonicContact NE2-OD1 3.34Å; H396-D545 PolarHBondContact NE2-OD1 3.18Å; H396-D545 IonicContact NE2-OD2 3.93Å; H396-R546 PolarHBondContact CE1-NH2 3.03Å; H396-R546 PolarHBondContact ND1-NH2 2.85Å
397	S	90.7	Very high	94.6	Very high	28 Å²	28	56.3 Å²	56.3	20%	0.196	27%	0.267	C	S	.	.			trans	-76.6	175.9	169.7	-65.1	0	0	0	0	110	K395 K399 E400 H402	K395-S397 VanDerWaalsContact CD-OG 3.27Å; K395-S397 WeakPolarHBondContact CD-OG 3.38Å; K395-S397 PolarHBondContact O-N 3.38Å; S397-K399 VanDerWaalsContact C-N 3.26Å; S397-K399 PolarHBondContact O-N 2.89Å; S397-K399 VanDerWaalsContact O-N 3.14Å; S397-E400 WeakPolarHBondContact CA-O 3.44Å; S397-E400 WeakPolarHBondContact CB-O 3.49Å; S397-E400 PolarHBondContact N-O 2.99Å; S397-H402 PolarHBondContact OG-CD2 3.1Å; S397-H402 PolarHBondContact OG-NE2 2.88Å; S397-H402 VanDerWaalsContact OG-NE2 3.15Å
398	R	85	Confident	94.6	Very high	143 Å²	143	55.8 Å²	55.8	54%	0.54	26%	0.264	S	S	.	.	S	Bend	trans	-49.5	-41	177.3	-69.7	179.3	-80.6	-173.3	-0.6	115.2	W541 D544	R398-W541 HydrophobicContact CG-CE3 3.97Å; R398-W541 HydrophobicContact CG-CZ3 4.49Å; R398-D544 WeakPolarHBondContact O-CB 3.38Å; R398-D544 PolarHBondContact O-N 3.42Å
399	K	85.3	Confident	94.7	Very high	155 Å²	155	51.6 Å²	51.6	67%	0.674	25%	0.245	S	C	*	.	S	Bend	trans	-119.6	-21.5	-171.9	-64.9	-176.3	179.7	-179.5	0	114.2	S397	S397-K399 VanDerWaalsContact C-N 3.26Å; S397-K399 PolarHBondContact O-N 2.89Å; S397-K399 VanDerWaalsContact O-N 3.14Å
400	E	89.6	Confident	94.6	Very high	123 Å²	123	49.7 Å²	49.7	58%	0.575	24%	0.238	S	C	*	.			trans	-145.9	150.3	-165.2	-71.3	176.9	-160.5	0	0	109.4	S397 H402	S397-E400 WeakPolarHBondContact CA-O 3.44Å; S397-E400 WeakPolarHBondContact CB-O 3.49Å; S397-E400 PolarHBondContact N-O 2.99Å; E400-H402 IonicContact OE2-CE1 2.93Å; E400-H402 PolarHBondContact OE2-CE1 3.21Å; E400-H402 VanDerWaalsContact OE2-CE1 3.26Å; E400-H402 IonicContact OE2-ND1 3.71Å
401	I	93.1	Very high	94.4	Very high	80 Å²	80	49.3 Å²	49.3	41%	0.41	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.7	174.2	-58.2	174	0	0	0	107	M394 K395 L464	M394-I401 HydrophobicContact CB-CG2 3.67Å; M394-I401 HydrophobicContact CE-CG2 3.76Å; M394-I401 HydrophobicContact CG-CG2 4.36Å; K395-I401 CarbonylContact O-C 3.43Å; K395-I401 WeakPolarHBondContact O-CA 3.43Å; I401-L464 HydrophobicContact CD1-CD2 4.25Å; I401-L464 HydrophobicContact CG2-CD2 4.37Å
402	H	94	Very high	94.4	Very high	49 Å²	49	48.7 Å²	48.7	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.4	-177.9	-49	-72.6	0	0	0	112.9	M394 K395 S397 E400	M394-H402 WeakPolarHBondContact CA-O 3.45Å; K395-H402 PolarHBondContact N-O 2.98Å; K395-H402 PolarHBondContact O-N 3.45Å; S397-H402 PolarHBondContact OG-CD2 3.1Å; S397-H402 PolarHBondContact OG-NE2 2.88Å; S397-H402 VanDerWaalsContact OG-NE2 3.15Å; E400-H402 IonicContact OE2-CE1 2.93Å; E400-H402 PolarHBondContact OE2-CE1 3.21Å; E400-H402 VanDerWaalsContact OE2-CE1 3.26Å; E400-H402 IonicContact OE2-ND1 3.71Å
403	P	95.9	Very high	94.4	Very high	70 Å²	70	43.1 Å²	43.1	46%	0.455	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.9	173.4	29.9	-35.1	0	0	0	110.9	M394 P418	M394-P403 HydrophobicContact CE-CB 4.29Å; M394-P403 HydrophobicContact SD-CB 4.06Å; P403-P418 WeakPolarHBondContact O-CD 3.4Å
404	R	96.6	Very high	94.4	Very high	35 Å²	35	42.9 Å²	42.9	13%	0.132	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.5	-178.5	-65.8	-66.1	-178.5	-92.5	-2.5	109.7	E392 I393 K395 Y415 C416	E392-R404 WeakPolarHBondContact CA-O 3.4Å; I393-R404 HydrophobicContact CG2-CB 4.01Å; I393-R404 PolarHBondContact N-O 2.7Å; I393-R404 CarbonylContact O-C 3.57Å; I393-R404 WeakPolarHBondContact O-CA 3.33Å; I393-R404 PolarHBondContact O-N 3.21Å; K395-R404 HydrophobicContact CB-CG 3.7Å; R404-Y415 HydrophobicContact CB-CD2 4.49Å; R404-Y415 HydrophobicContact CB-CE2 3.89Å; R404-Y415 VanDerWaalsContact CD-OH 3.32Å; R404-Y415 WeakPolarHBondContact CD-OH 3.31Å; R404-Y415 HydrophobicContact CG-CE2 3.55Å; R404-Y415 WeakPolarHBondContact CG-OH 3.47Å; R404-Y415 PolarHBondContact NE-OH 3.35Å; R404-C416 WeakPolarHBondContact CA-O 3.2Å; R404-C416 WeakPolarHBondContact CB-O 3.46Å; R404-C416 WeakPolarHBondContact CD-O 3.39Å
405	F	97.1	Very high	94.3	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.3	176.6	-157.5	-94.5	0	0	0	108	E390 G391 E392 L407 C416 L426	E390-F405 HydrophobicContact CB-CE1 3.93Å; E390-F405 HydrophobicContact CB-CZ 4.16Å; E390-F405 HydrophobicContact CG-CZ 4.43Å; G391-F405 WeakPolarHBondContact O-CA 3.37Å; E392-F405 HydrophobicContact CG-CD2 3.99Å; E392-F405 HydrophobicContact CG-CE2 4.11Å; F405-L407 HydrophobicContact CD1-CD2 3.91Å; F405-L407 HydrophobicContact CD1-CG 4.06Å; F405-L407 HydrophobicContact CE1-CD2 3.57Å; F405-L407 HydrophobicContact CE1-CG 4.25Å; F405-C416 HydrophobicContact CB-CB 4.33Å; F405-C416 PolarHBondContact N-O 3.19Å; F405-C416 WeakPolarHBondContact O-CA 3.18Å; F405-C416 WeakPolarHBondContact O-CB 3.27Å; F405-C416 PolarHBondContact O-N 2.9Å; F405-L426 HydrophobicContact CB-CD1 4.26Å; F405-L426 HydrophobicContact CB-CD2 3.71Å; F405-L426 HydrophobicContact CD1-CD1 3.64Å; F405-L426 HydrophobicContact CE1-CD1 4.26Å; F405-L426 HydrophobicContact CG-CD1 4.08Å; F405-L426 HydrophobicContact CG-CD2 4.13Å
406	L	97.7	Very high	94.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.2	174.9	-70.2	-179.6	0	0	0	110	E390 G391 I393 L413 Y415 L463 W474	E390-L406 VanDerWaalsContact CA-O 3.3Å; E390-L406 WeakPolarHBondContact CA-O 3.32Å; G391-L406 PolarHBondContact N-O 2.95Å; G391-L406 VanDerWaalsContact N-O 3.12Å; G391-L406 PolarHBondContact O-N 3.18Å; I393-L406 HydrophobicContact CD1-CD1 3.94Å; I393-L406 HydrophobicContact CG2-CD1 3.95Å; I393-L406 HydrophobicContact CG2-CG 3.73Å; L406-L413 HydrophobicContact CB-CD1 4.38Å; L406-L413 HydrophobicContact CD2-CD1 4.29Å; L406-Y415 HydrophobicContact CD2-CD2 3.87Å; L406-Y415 HydrophobicContact CD2-CG 4.47Å; L406-L463 HydrophobicContact CD1-CD1 3.8Å; L406-W474 HydrophobicContact CB-CH2 3.7Å; L406-W474 HydrophobicContact CB-CZ2 4.23Å; L406-W474 HydrophobicContact CB-CZ3 4.05Å; L406-W474 HydrophobicContact CD1-CE3 4.39Å; L406-W474 HydrophobicContact CD1-CZ3 4.36Å
407	L	97.9	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.8	170.9	-59.9	164.2	0	0	0	107.5	I370 M374 L387 E390 F405 F409 L414 L426	I370-L407 HydrophobicContact CD1-CD2 3.72Å; I370-L407 HydrophobicContact CG1-CD2 3.97Å; I370-L407 HydrophobicContact CG2-CD1 3.63Å; I370-L407 HydrophobicContact CG2-CD2 3.96Å; I370-L407 HydrophobicContact CG2-CG 4.46Å; M374-L407 HydrophobicContact CE-CD1 3.35Å; L387-L407 HydrophobicContact CD1-CD2 4.45Å; E390-L407 HydrophobicContact CB-CD2 3.8Å; F405-L407 HydrophobicContact CD1-CD2 3.91Å; F405-L407 HydrophobicContact CD1-CG 4.06Å; F405-L407 HydrophobicContact CE1-CD2 3.57Å; F405-L407 HydrophobicContact CE1-CG 4.25Å; L407-F409 HydrophobicContact CB-CD2 4.22Å; L407-F409 HydrophobicContact CB-CE2 3.47Å; L407-F409 VanDerWaalsContact CB-CE2 3.47Å; L407-F409 HydrophobicContact CB-CZ 3.97Å; L407-F409 HydrophobicContact CD1-CE2 4.32Å; L407-F409 HydrophobicContact CD1-CZ 4.44Å; L407-F409 HydrophobicContact CG-CE2 4.45Å; L407-L414 HydrophobicContact CB-CB 4.17Å; L407-L414 HydrophobicContact CD1-CB 4.46Å; L407-L414 HydrophobicContact CD1-CD1 4.36Å; L407-L414 PolarHBondContact N-O 3.15Å; L407-L414 PolarHBondContact O-N 3.24Å; L407-L426 HydrophobicContact CD1-CD1 4.45Å
408	L	98.3	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.7	176.1	178.9	64.9	0	0	0	108.5	F388 K389 L413 L434 W474 A477 I478 A481	F388-L408 HydrophobicContact CB-CD2 4.28Å; F388-L408 HydrophobicContact CB-CG 4.19Å; F388-L408 PolarHBondContact N-O 3.17Å; K389-L408 HydrophobicContact CB-CB 4.26Å; K389-L408 HydrophobicContact CB-CD2 4.32Å; K389-L408 PolarHBondContact N-O 3.41Å; K389-L408 VanDerWaalsContact N-O 3.15Å; K389-L408 PolarHBondContact O-N 3.06Å; L408-L413 HydrophobicContact CB-CD1 3.95Å; L408-L413 HydrophobicContact CD1-CB 4.23Å; L408-L413 HydrophobicContact CD1-CD1 4Å; L408-L434 HydrophobicContact CD1-CD1 4.44Å; L408-L434 HydrophobicContact CD1-CD2 3.87Å; L408-W474 HydrophobicContact CB-CZ3 4.26Å; L408-A477 HydrophobicContact CD2-CB 3.98Å; L408-I478 HydrophobicContact CD1-CG1 4.31Å; L408-I478 HydrophobicContact CD2-CG1 3.99Å; L408-A481 HydrophobicContact CD1-CB 3.84Å; L408-A481 HydrophobicContact CD2-CB 4.03Å; L408-A481 HydrophobicContact CG-CB 4.16Å
409	F	97.3	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	172.9	171.2	-60.1	-83.7	0	0	0	110.8	M367 I380 R385 K386 L387 L407 D411 V412 L414 L434	M367-F409 HydrophobicContact CE-CE1 4.32Å; I380-F409 HydrophobicContact CD1-CE2 4.38Å; I380-F409 HydrophobicContact CD1-CZ 4.17Å; I380-F409 HydrophobicContact CG2-CE1 3.78Å; I380-F409 HydrophobicContact CG2-CZ 3.58Å; R385-F409 HydrophobicContact CG-CB 3.88Å; R385-F409 HydrophobicContact CG-CD1 3.7Å; R385-F409 HydrophobicContact CG-CG 3.99Å; K386-F409 CarbonylContact O-C 3.48Å; K386-F409 WeakPolarHBondContact O-CA 3.06Å; L387-F409 HydrophobicContact CB-CD1 4.19Å; L387-F409 HydrophobicContact CB-CE1 4.14Å; L387-F409 HydrophobicContact CD1-CD1 4.05Å; L387-F409 HydrophobicContact CD1-CE1 3.72Å; L387-F409 HydrophobicContact CD1-CZ 4.07Å; L407-F409 HydrophobicContact CB-CD2 4.22Å; L407-F409 HydrophobicContact CB-CE2 3.47Å; L407-F409 VanDerWaalsContact CB-CE2 3.47Å; L407-F409 HydrophobicContact CB-CZ 3.97Å; L407-F409 HydrophobicContact CD1-CE2 4.32Å; L407-F409 HydrophobicContact CD1-CZ 4.44Å; L407-F409 HydrophobicContact CG-CE2 4.45Å; F409-D411 WeakPolarHBondContact CB-OD1 3.48Å; F409-D411 PolarHBondContact O-N 3.48Å; F409-V412 WeakPolarHBondContact CA-O 3.47Å; F409-V412 HydrophobicContact CB-CG1 4.08Å; F409-V412 WeakPolarHBondContact CB-O 3.3Å; F409-V412 HydrophobicContact CD2-CG1 3.94Å; F409-V412 HydrophobicContact CG-CG1 4.37Å; F409-V412 PolarHBondContact N-O 2.83Å; F409-L414 HydrophobicContact CD2-CD1 4.33Å; F409-L414 HydrophobicContact CD2-CG 4.19Å; F409-L414 HydrophobicContact CE2-CD1 3.67Å; F409-L414 HydrophobicContact CE2-CG 3.93Å; F409-L434 WeakPolarHBondContact O-CD1 3.41Å
410	S	94.4	Very high	95.6	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.084	16%	0.158	C	C	.	.	S	Bend	trans	-64.3	-19.4	178.8	52.3	0	0	0	0	114.7	K386	K386-S410 PolarHBondContact N-OG 3.05Å; K386-S410 PolarHBondContact O-N 3.01Å
411	D	93.9	Very high	95.6	Very high	56 Å²	56	29.2 Å²	29.2	30%	0.299	17%	0.167	S	C	.	.	S	Bend	trans	-123.3	-27.9	-174.9	62.5	-47.2	0	0	0	113.2	R385 F409 L434	R385-D411 WeakPolarHBondContact CG-OD1 3.38Å; R385-D411 IonicContact CZ-OD1 2.74Å; R385-D411 IonicContact CZ-OD2 3.77Å; R385-D411 IonicContact NE-OD1 3.61Å; R385-D411 PolarHBondContact NE-OD1 3Å; R385-D411 IonicContact NE-OD2 3.96Å; R385-D411 PolarHBondContact NE-OD2 2.88Å; R385-D411 VanDerWaalsContact NE-OD2 3.13Å; R385-D411 IonicContact NH2-OD1 3.13Å; R385-D411 IonicContact NH2-OD2 3.26Å; R385-D411 PolarHBondContact NH2-OD2 2.98Å; F409-D411 WeakPolarHBondContact CB-OD1 3.48Å; F409-D411 PolarHBondContact O-N 3.48Å; D411-L434 WeakPolarHBondContact O-CG 3.32Å; D411-L434 PolarHBondContact O-N 2.78Å
412	V	95.6	Very high	95.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.7	-171.3	69.4	0	0	0	0	112.6	F409 L414 E431	F409-V412 WeakPolarHBondContact CA-O 3.47Å; F409-V412 HydrophobicContact CB-CG1 4.08Å; F409-V412 WeakPolarHBondContact CB-O 3.3Å; F409-V412 HydrophobicContact CD2-CG1 3.94Å; F409-V412 HydrophobicContact CG-CG1 4.37Å; F409-V412 PolarHBondContact N-O 2.83Å; V412-L414 HydrophobicContact CG1-CD2 4.12Å; V412-L414 HydrophobicContact CG1-CG 4.39Å; V412-L414 HydrophobicContact CG2-CD2 3.8Å; V412-E431 HydrophobicContact CG2-CG 3.5Å; V412-E431 VanDerWaalsContact CG2-CG 3.5Å
413	L	97.2	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.5	166.1	177.1	66.9	0	0	0	109.6	L406 L408 L432 L434 L437 L454 I478	L406-L413 HydrophobicContact CB-CD1 4.38Å; L406-L413 HydrophobicContact CD2-CD1 4.29Å; L408-L413 HydrophobicContact CB-CD1 3.95Å; L408-L413 HydrophobicContact CD1-CB 4.23Å; L408-L413 HydrophobicContact CD1-CD1 4Å; L413-L432 HydrophobicContact CB-CB 4.36Å; L413-L432 HydrophobicContact CD2-CD1 4.46Å; L413-L432 PolarHBondContact N-O 2.87Å; L413-L432 WeakPolarHBondContact O-CB 3.46Å; L413-L432 PolarHBondContact O-N 3.06Å; L413-L434 HydrophobicContact CB-CD2 4.06Å; L413-L437 HydrophobicContact CD2-CD2 4.07Å; L413-L454 HydrophobicContact CD2-CD1 3.39Å; L413-I478 HydrophobicContact CD2-CD1 4.38Å
414	L	96.5	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	172.8	-50.5	-177.3	0	0	0	110.5	Y378 I380 L407 F409 V412 I428 E431	Y378-L414 HydrophobicContact CD1-CD1 4.41Å; Y378-L414 HydrophobicContact CE1-CD1 3.78Å; I380-L414 HydrophobicContact CD1-CD1 3.55Å; L407-L414 HydrophobicContact CB-CB 4.17Å; L407-L414 HydrophobicContact CD1-CB 4.46Å; L407-L414 HydrophobicContact CD1-CD1 4.36Å; L407-L414 PolarHBondContact N-O 3.15Å; L407-L414 PolarHBondContact O-N 3.24Å; F409-L414 HydrophobicContact CD2-CD1 4.33Å; F409-L414 HydrophobicContact CD2-CG 4.19Å; F409-L414 HydrophobicContact CE2-CD1 3.67Å; F409-L414 HydrophobicContact CE2-CG 3.93Å; V412-L414 HydrophobicContact CG1-CD2 4.12Å; V412-L414 HydrophobicContact CG1-CG 4.39Å; V412-L414 HydrophobicContact CG2-CD2 3.8Å; L414-I428 HydrophobicContact CD1-CD1 4.04Å; L414-I428 HydrophobicContact CD1-CG1 4.46Å; L414-E431 HydrophobicContact CD2-CB 4.15Å; L414-E431 HydrophobicContact CD2-CG 3.76Å
415	Y	96	Very high	94.9	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.1	172.2	167.7	-97.4	0	0	0	109.5	K395 R404 L406 R429 N430 I461 L463	K395-Y415 HydrophobicContact CB-CE2 4.08Å; K395-Y415 WeakPolarHBondContact CB-OH 3.44Å; K395-Y415 WeakPolarHBondContact CD-OH 3.34Å; K395-Y415 HydrophobicContact CG-CE2 4.09Å; K395-Y415 WeakPolarHBondContact CG-OH 3.34Å; K395-Y415 PolarHBondContact NZ-OH 2.81Å; R404-Y415 HydrophobicContact CB-CD2 4.49Å; R404-Y415 HydrophobicContact CB-CE2 3.89Å; R404-Y415 VanDerWaalsContact CD-OH 3.32Å; R404-Y415 WeakPolarHBondContact CD-OH 3.31Å; R404-Y415 HydrophobicContact CG-CE2 3.55Å; R404-Y415 WeakPolarHBondContact CG-OH 3.47Å; R404-Y415 PolarHBondContact NE-OH 3.35Å; L406-Y415 HydrophobicContact CD2-CD2 3.87Å; L406-Y415 HydrophobicContact CD2-CG 4.47Å; Y415-R429 HydrophobicContact CD1-CB 3.56Å; Y415-R429 HydrophobicContact CD1-CG 4.48Å; Y415-R429 HydrophobicContact CE1-CB 3.64Å; Y415-R429 HydrophobicContact CE1-CG 4.23Å; Y415-R429 WeakPolarHBondContact O-CB 3.46Å; Y415-R429 PolarHBondContact O-N 3.35Å; Y415-N430 HydrophobicContact CD1-CB 4.05Å; Y415-N430 WeakPolarHBondContact CD1-OD1 3.49Å; Y415-N430 PolarHBondContact N-O 3.21Å; Y415-N430 PolarHBondContact O-N 3.41Å; Y415-I461 HydrophobicContact CD1-CD1 4.19Å; Y415-I461 HydrophobicContact CD2-CD1 4.17Å; Y415-I461 HydrophobicContact CE2-CG2 4.15Å; Y415-I461 HydrophobicContact CG-CD1 3.97Å; Y415-L463 HydrophobicContact CD2-CD2 4.47Å; Y415-L463 HydrophobicContact CE2-CD2 4.18Å
416	C	96.9	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.3	-172.1	-60.3	0	0	0	0	111.9	R404 F405 L426 R427	R404-C416 WeakPolarHBondContact CA-O 3.2Å; R404-C416 WeakPolarHBondContact CB-O 3.46Å; R404-C416 WeakPolarHBondContact CD-O 3.39Å; F405-C416 HydrophobicContact CB-CB 4.33Å; F405-C416 PolarHBondContact N-O 3.19Å; F405-C416 WeakPolarHBondContact O-CA 3.18Å; F405-C416 WeakPolarHBondContact O-CB 3.27Å; F405-C416 PolarHBondContact O-N 2.9Å; C416-L426 HydrophobicContact CB-CB 4.21Å; C416-L426 HydrophobicContact CB-CD1 4.4Å; C416-L426 HydrophobicContact CB-CD2 4.38Å; C416-R427 CarbonylContact C-O 3.6Å; C416-R427 WeakPolarHBondContact CA-O 3.34Å
417	A	96.3	Very high	94.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.7	168	0	0	0	0	0	109.8	R427 R429	A417-R427 PolarHBondContact N-O 3.18Å; A417-R427 PolarHBondContact O-N 2.89Å; A417-R429 HydrophobicContact CB-CG 3.7Å
418	P	96.3	Very high	94.8	Very high	29 Å²	29	36.1 Å²	36.1	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141	169.2	29.8	-35.2	0	0	0	109.7	P403 V420 M425	P403-P418 WeakPolarHBondContact O-CD 3.4Å; P418-V420 VanDerWaalsContact C-N 3.34Å; P418-V420 WeakPolarHBondContact CB-O 3.31Å; P418-M425 CarbonylContact C-O 3.33Å; P418-M425 VanDerWaalsContact CA-O 3.31Å; P418-M425 WeakPolarHBondContact CA-O 3.38Å
419	V	94.8	Very high	94.6	Very high	46 Å²	46	41.6 Å²	41.6	28%	0.279	25%	0.249	S	C	.	.	S	Bend	trans	-62.9	-45.3	-179.6	178	0	0	0	0	110.4	Q375 M425 R427	Q375-V419 HydrophobicContact CB-CG2 3.71Å; Q375-V419 HydrophobicContact CG-CG2 4.05Å; V419-M425 HydrophobicContact CB-CB 4.15Å; V419-M425 HydrophobicContact CG2-CB 3.73Å; V419-M425 PolarHBondContact N-O 2.86Å; V419-R427 HydrophobicContact CG2-CB 4.26Å
420	V	92.1	Very high	94.4	Very high	87 Å²	87	43.4 Å²	43.4	53%	0.527	26%	0.259	S	S	.	.	S	Bend	trans	-124.1	143	172.3	-177.8	0	0	0	0	107.5	P418 G422 S423	P418-V420 VanDerWaalsContact C-N 3.34Å; P418-V420 WeakPolarHBondContact CB-O 3.31Å; V420-G422 PolarHBondContact O-N 3.01Å; V420-S423 WeakPolarHBondContact O-CB 3.41Å; V420-S423 PolarHBondContact O-N 3.12Å
421	P	89.3	Confident	94.4	Very high	120 Å²	120	47.6 Å²	47.6	78%	0.779	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	128.3	174.6	-27.5	35.7	0	0	0	112.1	S423	P421-S423 VanDerWaalsContact C-N 3.26Å; P421-S423 PolarHBondContact O-N 3.41Å
422	G	87.3	Confident	94.4	Very high	86 Å²	86	45.3 Å²	45.3	89%	0.887	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-7.2	-177.1	0	0	0	0	0	115.8	V420	V420-G422 PolarHBondContact O-N 3.01Å
423	S	90.5	Very high	94.3	Very high	44 Å²	44	46.6 Å²	46.6	31%	0.308	27%	0.273	S	S	.	.			trans	-73.8	144.3	174.7	-175.7	0	0	0	0	111.7	V420 P421 M425	V420-S423 WeakPolarHBondContact O-CB 3.41Å; V420-S423 PolarHBondContact O-N 3.12Å; P421-S423 VanDerWaalsContact C-N 3.26Å; P421-S423 PolarHBondContact O-N 3.41Å; S423-M425 VanDerWaalsContact C-N 3.26Å; S423-M425 PolarHBondContact OG-N 2.85Å
424	S	92	Very high	94.1	Very high	80 Å²	80	46.6 Å²	46.6	56%	0.559	27%	0.273	S	S	*	.	S	Bend	trans	-74.5	-16.8	170.8	58.6	0	0	0	0	113.3	R373	R373-S424 PolarHBondContact NE-O 3.41Å
425	M	96.1	Very high	93.8	Very high	64 Å²	64	54.5 Å²	54.5	32%	0.315	30%	0.304	S	S	.	.			trans	-70.6	133.6	177.4	-67.6	-61.2	-66.2	0	0	110.5	R373 M374 P418 V419 S423	R373-M425 CarbonylContact O-C 3.59Å; R373-M425 WeakPolarHBondContact O-CA 3.32Å; R373-M425 WeakPolarHBondContact O-CE 3.46Å; M374-M425 WeakPolarHBondContact O-CE 3.2Å; P418-M425 CarbonylContact C-O 3.33Å; P418-M425 VanDerWaalsContact CA-O 3.31Å; P418-M425 WeakPolarHBondContact CA-O 3.38Å; V419-M425 HydrophobicContact CB-CB 4.15Å; V419-M425 HydrophobicContact CG2-CB 3.73Å; V419-M425 PolarHBondContact N-O 2.86Å; S423-M425 VanDerWaalsContact C-N 3.26Å; S423-M425 PolarHBondContact OG-N 2.85Å
426	L	97.1	Very high	93.5	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	-173.9	-62.1	-178.6	0	0	0	110.9	R373 M374 Q375 F405 L407 C416	R373-L426 HydrophobicContact CB-CD1 4.47Å; R373-L426 HydrophobicContact CB-CG 4.35Å; R373-L426 PolarHBondContact O-N 2.88Å; M374-L426 HydrophobicContact CE-CD1 4.37Å; M374-L426 HydrophobicContact SD-CB 4.29Å; Q375-L426 PolarHBondContact N-O 2.82Å; F405-L426 HydrophobicContact CB-CD1 4.26Å; F405-L426 HydrophobicContact CB-CD2 3.71Å; F405-L426 HydrophobicContact CD1-CD1 3.64Å; F405-L426 HydrophobicContact CE1-CD1 4.26Å; F405-L426 HydrophobicContact CG-CD1 4.08Å; F405-L426 HydrophobicContact CG-CD2 4.13Å; L407-L426 HydrophobicContact CD1-CD1 4.45Å; C416-L426 HydrophobicContact CB-CB 4.21Å; C416-L426 HydrophobicContact CB-CD1 4.4Å; C416-L426 HydrophobicContact CB-CD2 4.38Å
427	R	96.3	Very high	93.3	Very high	90 Å²	90	57.2 Å²	57.2	34%	0.34	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.8	166.5	176.2	167	54	115.3	-12.4	109.9	C416 A417 V419 R429	C416-R427 CarbonylContact C-O 3.6Å; C416-R427 WeakPolarHBondContact CA-O 3.34Å; A417-R427 PolarHBondContact N-O 3.18Å; A417-R427 PolarHBondContact O-N 2.89Å; V419-R427 HydrophobicContact CG2-CB 4.26Å; R427-R429 PolarHBondContact O-N 2.92Å
428	I	96.1	Very high	93.1	Very high	34 Å²	34	58.6 Å²	58.6	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.2	175.3	-59.9	168.2	0	0	0	108.7	M374 Y378 L414	M374-I428 HydrophobicContact SD-CD1 4.34Å; M374-I428 HydrophobicContact SD-CG1 4.2Å; Y378-I428 HydrophobicContact CD1-CD1 3.56Å; Y378-I428 HydrophobicContact CD2-CD1 3.37Å; Y378-I428 HydrophobicContact CE1-CD1 4.03Å; Y378-I428 HydrophobicContact CE2-CD1 3.84Å; Y378-I428 HydrophobicContact CG-CD1 3.2Å; L414-I428 HydrophobicContact CD1-CD1 4.04Å; L414-I428 HydrophobicContact CD1-CG1 4.46Å
429	R	94.2	Very high	92.9	Very high	115 Å²	115	61 Å²	61	43%	0.434	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-36.5	176.1	-67.3	-58.5	-163	143.8	9.3	111.5	Y415 A417 R427	Y415-R429 HydrophobicContact CD1-CB 3.56Å; Y415-R429 HydrophobicContact CD1-CG 4.48Å; Y415-R429 HydrophobicContact CE1-CB 3.64Å; Y415-R429 HydrophobicContact CE1-CG 4.23Å; Y415-R429 WeakPolarHBondContact O-CB 3.46Å; Y415-R429 PolarHBondContact O-N 3.35Å; A417-R429 HydrophobicContact CB-CG 3.7Å; R427-R429 PolarHBondContact O-N 2.92Å
430	N	93.1	Very high	92.9	Very high	38 Å²	38	59 Å²	59	20%	0.203	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.7	174.9	-65	89.9	0	0	0	109	Y415 L432	Y415-N430 HydrophobicContact CD1-CB 4.05Å; Y415-N430 WeakPolarHBondContact CD1-OD1 3.49Å; Y415-N430 PolarHBondContact N-O 3.21Å; Y415-N430 PolarHBondContact O-N 3.41Å; N430-L432 HydrophobicContact CB-CD2 4.36Å; N430-L432 HydrophobicContact CB-CG 4.31Å
431	E	94	Very high	92.8	Very high	100 Å²	100	58.5 Å²	58.5	47%	0.467	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125	164	-174.5	-180	159.1	0	0	107	V412 L414	V412-E431 HydrophobicContact CG2-CG 3.5Å; V412-E431 VanDerWaalsContact CG2-CG 3.5Å; L414-E431 HydrophobicContact CD2-CB 4.15Å; L414-E431 HydrophobicContact CD2-CG 3.76Å
432	L	94.1	Very high	92.8	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	91.8	-176.8	-59	174	0	0	0	108.3	L413 N430 L434 L437 R459 I461	L413-L432 HydrophobicContact CB-CB 4.36Å; L413-L432 HydrophobicContact CD2-CD1 4.46Å; L413-L432 PolarHBondContact N-O 2.87Å; L413-L432 WeakPolarHBondContact O-CB 3.46Å; L413-L432 PolarHBondContact O-N 3.06Å; N430-L432 HydrophobicContact CB-CD2 4.36Å; N430-L432 HydrophobicContact CB-CG 4.31Å; L432-L434 PolarHBondContact O-N 3.09Å; L432-L437 HydrophobicContact CB-CD1 4.41Å; L432-L437 HydrophobicContact CD1-CD1 4.27Å; L432-R459 HydrophobicContact CD2-CB 4.48Å; L432-I461 HydrophobicContact CD1-CD1 3.96Å
433	P	94	Very high	92.5	Very high	29 Å²	29	53.7 Å²	53.7	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	134.1	174.7	-21.5	32.3	0	0	0	110.2	Y435 T436	P433-Y435 VanDerWaalsContact C-N 3.27Å; P433-Y435 HydrophobicContact CB-CD1 3.79Å; P433-Y435 HydrophobicContact CB-CE1 3.26Å; P433-Y435 HydrophobicContact CB-CE2 4.39Å; P433-Y435 HydrophobicContact CG-CE1 4.27Å; P433-Y435 PolarHBondContact O-N 2.88Å; P433-T436 HydrophobicContact CB-CG2 4.26Å; P433-T436 PolarHBondContact O-N 2.8Å; P433-T436 PolarHBondContact O-OG1 2.74Å
434	L	94.3	Very high	91.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.7	-32.1	-168.7	-66.8	178.7	0	0	0	113	L408 F409 D411 L413 L432 T436 L437 A481 I482 A485	L408-L434 HydrophobicContact CD1-CD1 4.44Å; L408-L434 HydrophobicContact CD1-CD2 3.87Å; F409-L434 WeakPolarHBondContact O-CD1 3.41Å; D411-L434 WeakPolarHBondContact O-CG 3.32Å; D411-L434 PolarHBondContact O-N 2.78Å; L413-L434 HydrophobicContact CB-CD2 4.06Å; L432-L434 PolarHBondContact O-N 3.09Å; L434-T436 PolarHBondContact O-N 2.85Å; L434-L437 HydrophobicContact CD2-CD2 4.16Å; L434-L437 WeakPolarHBondContact O-CB 3.31Å; L434-L437 PolarHBondContact O-N 2.86Å; L434-A481 HydrophobicContact CD1-CB 3.72Å; L434-I482 HydrophobicContact CD2-CG1 4.37Å; L434-A485 HydrophobicContact CB-CB 3.73Å; L434-A485 HydrophobicContact CD1-CB 4.05Å
435	Y	89.8	Confident	90.8	Very high	167 Å²	167	55.8 Å²	55.8	66%	0.655	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.2	-14.6	175.4	65.2	-96.1	0	0	0	113.9	P433 N486	P433-Y435 VanDerWaalsContact C-N 3.27Å; P433-Y435 HydrophobicContact CB-CD1 3.79Å; P433-Y435 HydrophobicContact CB-CE1 3.26Å; P433-Y435 HydrophobicContact CB-CE2 4.39Å; P433-Y435 HydrophobicContact CG-CE1 4.27Å; P433-Y435 PolarHBondContact O-N 2.88Å; Y435-N486 WeakPolarHBondContact CA-OD1 3.27Å
436	T	89.7	Confident	89.6	Confident	50 Å²	50	56.6 Å²	56.6	31%	0.307	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-98.1	-7	174.9	71.3	0	0	0	0	113.3	P433 L434 S456	P433-T436 HydrophobicContact CB-CG2 4.26Å; P433-T436 PolarHBondContact O-N 2.8Å; P433-T436 PolarHBondContact O-OG1 2.74Å; L434-T436 PolarHBondContact O-N 2.85Å; T436-S456 WeakPolarHBondContact O-CA 3.48Å; T436-S456 WeakPolarHBondContact O-CB 3.46Å
437	L	92.3	Very high	88.5	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-93.3	128.3	-172.4	-161.5	67.4	0	0	0	109.3	L413 L432 L434 L454 R455 I478 I482	L413-L437 HydrophobicContact CD2-CD2 4.07Å; L432-L437 HydrophobicContact CB-CD1 4.41Å; L432-L437 HydrophobicContact CD1-CD1 4.27Å; L434-L437 HydrophobicContact CD2-CD2 4.16Å; L434-L437 WeakPolarHBondContact O-CB 3.31Å; L434-L437 PolarHBondContact O-N 2.86Å; L437-L454 HydrophobicContact CD1-CB 4.34Å; L437-L454 HydrophobicContact CD2-CD2 4.45Å; L437-R455 WeakPolarHBondContact CD1-O 3.43Å; L437-I478 HydrophobicContact CD2-CG2 3.89Å; L437-I482 HydrophobicContact CB-CD1 4.2Å; L437-I482 HydrophobicContact CB-CG1 4.45Å; L437-I482 HydrophobicContact CD2-CD1 4.08Å; L437-I482 HydrophobicContact CD2-CG1 4.46Å; L437-I482 HydrophobicContact CG-CD1 4.21Å
438	D	91.2	Very high	87.8	Confident	29 Å²	29	53.6 Å²	53.6	16%	0.155	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-72.4	160.5	169.4	-63.6	-17.3	0	0	0	109.9	R455 K537	D438-R455 HydrophobicContact CB-CB 4.42Å; D438-R455 WeakPolarHBondContact CB-O 3.44Å; D438-R455 PolarHBondContact N-O 3.2Å; D438-R455 IonicContact OD2-CZ 3.28Å; D438-R455 VanDerWaalsContact OD2-CZ 3.23Å; D438-R455 IonicContact OD2-NE 3.77Å; D438-R455 PolarHBondContact OD2-NE 3.03Å; D438-R455 IonicContact OD2-NH2 3.39Å; D438-R455 PolarHBondContact OD2-NH2 3.31Å; D438-K537 VanDerWaalsContact CG-NZ 3.34Å; D438-K537 IonicContact OD1-NZ 2.92Å; D438-K537 PolarHBondContact OD1-NZ 3.22Å; D438-K537 IonicContact OD2-NZ 2.63Å; D438-K537 PolarHBondContact OD2-NZ 2.87Å
439	D	92.3	Very high	87.3	Confident	80 Å²	80	54.5 Å²	54.5	43%	0.428	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-54.9	138.5	171.3	-78.3	-17.2	0	0	0	111.4	V441	D439-V441 PolarHBondContact O-N 2.68Å; D439-V441 VanDerWaalsContact O-N 3.16Å
440	P	94.4	Very high	87.1	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.026	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.2	122.6	174.9	-23.7	31.3	0	0	0	111.5	F452 H453 L454 V475 I478 R479	P440-F452 HydrophobicContact CB-CD2 4.24Å; P440-H453 WeakPolarHBondContact CA-O 3.38Å; P440-L454 HydrophobicContact CB-CD2 4.03Å; P440-L454 HydrophobicContact CG-CD2 3.89Å; P440-V475 HydrophobicContact CB-CB 4.44Å; P440-V475 HydrophobicContact CB-CG1 4.14Å; P440-V475 HydrophobicContact CB-CG2 4.05Å; P440-I478 HydrophobicContact CG-CB 3.88Å; P440-I478 HydrophobicContact CG-CG2 3.61Å; P440-R479 HydrophobicContact CG-CG 4.16Å; P440-R479 PolarHBondContact O-NH2 3.45Å
441	V	90.8	Very high	87.2	Confident	77 Å²	77	50 Å²	50	47%	0.467	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-94.1	130.7	179.9	179.6	0	0	0	0	109.6	D439 F452 H453	D439-V441 PolarHBondContact O-N 2.68Å; D439-V441 VanDerWaalsContact O-N 3.16Å; V441-F452 WeakPolarHBondContact O-CA 3.24Å; V441-H453 HydrophobicContact CB-CB 4.37Å; V441-H453 PolarHBondContact N-O 3.41Å; V441-H453 PolarHBondContact O-N 2.99Å
442	L	89.8	Confident	87.3	Confident	72 Å²	72	45.3 Å²	45.3	38%	0.377	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-92.6	122.1	171	-64.5	180	0	0	0	109.1	F452 R471 V475	L442-F452 HydrophobicContact CD2-CB 3.88Å; L442-R471 HydrophobicContact CD2-CG 4.34Å; L442-V475 HydrophobicContact CD2-CG2 4.05Å
443	P	81.6	Confident	87.3	Confident	32 Å²	32	46.2 Å²	46.2	21%	0.208	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-66.9	139.3	177.6	26.2	-33.9	0	0	0	112.2	N445 T448 E451	P443-N445 PolarHBondContact O-N 3.46Å; P443-T448 WeakPolarHBondContact CB-OG1 3.4Å; P443-T448 WeakPolarHBondContact CG-OG1 3.12Å; P443-E451 HydrophobicContact CG-CB 4.28Å
444	D	72.8	Confident	87.3	Confident	148 Å²	148	45 Å²	45	79%	0.791	24%	0.242	S	C	*	.	S	Bend	trans	-82.5	52.5	179.9	-169.3	15.2	0	0	0	112.4
445	N	72.5	Confident	87.2	Confident	20 Å²	20	47.1 Å²	47.1	11%	0.107	25%	0.25	C	S	.	.			trans	-148	125.2	179.2	-170.1	-19.1	0	0	0	110.7	P443 A447 T448 S449 W676 E692	P443-N445 PolarHBondContact O-N 3.46Å; N445-A447 PolarHBondContact O-N 3.43Å; N445-A447 VanDerWaalsContact O-N 3.14Å; N445-A447 WeakPolarHBondContact OD1-CB 3.21Å; N445-A447 PolarHBondContact OD1-N 3.14Å; N445-A447 VanDerWaalsContact OD1-N 3.1Å; N445-T448 HydrophobicContact CB-CG2 4.17Å; N445-T448 CarbonylContact O-C 3.54Å; N445-T448 WeakPolarHBondContact O-CA 3.43Å; N445-T448 WeakPolarHBondContact O-CB 3.41Å; N445-T448 PolarHBondContact O-N 3.03Å; N445-T448 PolarHBondContact O-OG1 3.21Å; N445-S449 PolarHBondContact O-N 2.75Å; N445-W676 WeakPolarHBondContact OD1-CZ2 3.15Å; N445-E692 PolarHBondContact ND2-OE1 3.39Å
446	D	72.2	Confident	87.1	Confident	81 Å²	81	39.6 Å²	39.6	43%	0.433	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62.5	-26.2	-178.6	-64.9	6.2	0	0	0	112.5	T448 S449 K661 W676	D446-T448 PolarHBondContact O-N 2.99Å; D446-T448 VanDerWaalsContact O-N 3.08Å; D446-S449 VanDerWaalsContact O-CB 3.32Å; D446-S449 WeakPolarHBondContact O-CB 3.1Å; D446-S449 PolarHBondContact O-N 2.82Å; D446-S449 VanDerWaalsContact O-N 3.16Å; D446-S449 PolarHBondContact O-OG 3.02Å; D446-K661 HydrophobicContact CB-CD 4.35Å; D446-K661 HydrophobicContact CB-CG 3.93Å; D446-K661 WeakPolarHBondContact OD1-CE 3.23Å; D446-K661 IonicContact OD1-NZ 2.96Å; D446-K661 PolarHBondContact OD1-NZ 3.19Å; D446-K661 WeakPolarHBondContact OD2-CE 3.3Å; D446-K661 WeakPolarHBondContact OD2-CG 3.42Å; D446-W676 HydrophobicContact CB-CH2 4.27Å
447	A	72.5	Confident	86.8	Confident	30 Å²	30	42 Å²	42	25%	0.248	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57	-23	172	0	0	0	0	0	112.6	N445 Y663 W676	N445-A447 PolarHBondContact O-N 3.43Å; N445-A447 VanDerWaalsContact O-N 3.14Å; N445-A447 WeakPolarHBondContact OD1-CB 3.21Å; N445-A447 PolarHBondContact OD1-N 3.14Å; N445-A447 VanDerWaalsContact OD1-N 3.1Å; A447-Y663 HydrophobicContact CB-CE2 4.02Å; A447-W676 HydrophobicContact CB-CE3 4.04Å; A447-W676 HydrophobicContact CB-CH2 3.59Å; A447-W676 HydrophobicContact CB-CZ2 4.34Å; A447-W676 HydrophobicContact CB-CZ3 3.4Å; A447-W676 VanDerWaalsContact N-CH2 3.34Å
448	T	81.5	Confident	86.5	Confident	3 Å²	3	48 Å²	48	2%	0.018	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-116.9	16.2	-171.9	66.1	0	0	0	0	111.3	P443 N445 D446 L450 E451	P443-T448 WeakPolarHBondContact CB-OG1 3.4Å; P443-T448 WeakPolarHBondContact CG-OG1 3.12Å; N445-T448 HydrophobicContact CB-CG2 4.17Å; N445-T448 CarbonylContact O-C 3.54Å; N445-T448 WeakPolarHBondContact O-CA 3.43Å; N445-T448 WeakPolarHBondContact O-CB 3.41Å; N445-T448 PolarHBondContact O-N 3.03Å; N445-T448 PolarHBondContact O-OG1 3.21Å; D446-T448 PolarHBondContact O-N 2.99Å; D446-T448 VanDerWaalsContact O-N 3.08Å; T448-L450 PolarHBondContact O-N 3.48Å; T448-L450 VanDerWaalsContact O-N 3.08Å; T448-E451 WeakPolarHBondContact O-CA 3.34Å; T448-E451 WeakPolarHBondContact O-CB 3.38Å; T448-E451 PolarHBondContact O-N 2.91Å
449	S	85.5	Confident	86.3	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.2	-179.1	52.7	0	0	0	0	114.1	N445 D446 E451 R471	N445-S449 PolarHBondContact O-N 2.75Å; D446-S449 VanDerWaalsContact O-CB 3.32Å; D446-S449 WeakPolarHBondContact O-CB 3.1Å; D446-S449 PolarHBondContact O-N 2.82Å; D446-S449 VanDerWaalsContact O-N 3.16Å; D446-S449 PolarHBondContact O-OG 3.02Å; S449-E451 VanDerWaalsContact C-N 3.35Å; S449-R471 VanDerWaalsContact O-CD 3.3Å; S449-R471 WeakPolarHBondContact O-CD 3.3Å; S449-R471 VanDerWaalsContact O-CZ 3.31Å; S449-R471 PolarHBondContact O-NH1 2.66Å
450	L	91.5	Very high	86.3	Confident	57 Å²	57	51.5 Å²	51.5	30%	0.298	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.2	174.6	-65.3	178	0	0	0	113.3	T448 L464 C465 T467 T468	T448-L450 PolarHBondContact O-N 3.48Å; T448-L450 VanDerWaalsContact O-N 3.08Å; L450-L464 HydrophobicContact CB-CD1 3.5Å; L450-L464 VanDerWaalsContact CB-CD1 3.5Å; L450-C465 PolarHBondContact O-N 3.16Å; L450-T467 VanDerWaalsContact CD2-C 3.42Å; L450-T468 HydrophobicContact CD2-CG2 3.82Å
451	E	93.9	Very high	86.3	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153.7	-172.9	-59.4	-173.1	164.1	0	0	113.1	H396 P443 T448 S449 I462 L463 L464 R471 R546	H396-E451 IonicContact CE1-OE1 2.63Å; H396-E451 IonicContact CG-OE1 2.62Å; H396-E451 IonicContact ND1-OE1 2.95Å; H396-E451 PolarHBondContact ND1-OE1 3.47Å; P443-E451 HydrophobicContact CG-CB 4.28Å; T448-E451 WeakPolarHBondContact O-CA 3.34Å; T448-E451 WeakPolarHBondContact O-CB 3.38Å; T448-E451 PolarHBondContact O-N 2.91Å; S449-E451 VanDerWaalsContact C-N 3.35Å; E451-I462 WeakPolarHBondContact OE2-CG2 3.41Å; E451-L463 CarbonylContact C-O 3.57Å; E451-L463 WeakPolarHBondContact CA-O 3.32Å; E451-L463 VanDerWaalsContact CB-O 3.31Å; E451-L463 WeakPolarHBondContact CB-O 3.16Å; E451-L464 HydrophobicContact CG-CB 4.09Å; E451-L464 HydrophobicContact CG-CD1 3.46Å; E451-L464 VanDerWaalsContact CG-CD1 3.46Å; E451-L464 HydrophobicContact CG-CG 4.41Å; E451-R471 WeakPolarHBondContact O-CD 3.42Å; E451-R546 IonicContact OE1-CZ 3.93Å; E451-R546 IonicContact OE1-NH1 3.81Å; E451-R546 IonicContact OE1-NH2 2.71Å; E451-R546 PolarHBondContact OE1-NH2 2.93Å; E451-R546 IonicContact OE2-CZ 3.79Å; E451-R546 IonicContact OE2-NH1 3.81Å; E451-R546 PolarHBondContact OE2-NH1 2.69Å; E451-R546 IonicContact OE2-NH2 3.34Å; E451-R546 PolarHBondContact OE2-NH2 3.27Å
452	F	95.8	Very high	86.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.9	162.7	66.9	-84.6	0	0	0	108.9	I393 P440 V441 L442 L454 L463 R471 W474 V475 I478	I393-F452 HydrophobicContact CD1-CE1 3.64Å; I393-F452 HydrophobicContact CD1-CZ 3.78Å; P440-F452 HydrophobicContact CB-CD2 4.24Å; V441-F452 WeakPolarHBondContact O-CA 3.24Å; L442-F452 HydrophobicContact CD2-CB 3.88Å; F452-L454 HydrophobicContact CD2-CD2 3.98Å; F452-L454 HydrophobicContact CD2-CG 4.06Å; F452-L454 HydrophobicContact CE2-CD1 4.04Å; F452-L454 HydrophobicContact CE2-CD2 3.85Å; F452-L454 HydrophobicContact CE2-CG 3.76Å; F452-L463 HydrophobicContact CD1-CB 4.3Å; F452-L463 HydrophobicContact CD2-CD1 4.41Å; F452-L463 HydrophobicContact CE1-CB 3.95Å; F452-L463 HydrophobicContact CE1-CD1 4.39Å; F452-L463 HydrophobicContact CE2-CB 4.25Å; F452-L463 HydrophobicContact CE2-CD1 3.53Å; F452-L463 HydrophobicContact CE2-CG 4.5Å; F452-L463 HydrophobicContact CZ-CB 3.91Å; F452-L463 HydrophobicContact CZ-CD1 3.53Å; F452-L463 HydrophobicContact CZ-CG 4.39Å; F452-L463 PolarHBondContact N-O 3.34Å; F452-L463 PolarHBondContact O-N 2.96Å; F452-R471 HydrophobicContact CB-CG 4.4Å; F452-R471 HydrophobicContact CD1-CG 3.97Å; F452-W474 HydrophobicContact CE1-CB 3.89Å; F452-W474 HydrophobicContact CE1-CG 4.44Å; F452-W474 HydrophobicContact CZ-CB 3.87Å; F452-W474 HydrophobicContact CZ-CG 4.38Å; F452-V475 HydrophobicContact CB-CG2 3.63Å; F452-V475 HydrophobicContact CD1-CG2 4.11Å; F452-V475 HydrophobicContact CD2-CG2 4.07Å; F452-V475 HydrophobicContact CG-CG2 3.69Å; F452-I478 HydrophobicContact CE2-CD1 3.82Å; F452-I478 HydrophobicContact CZ-CD1 4.24Å
453	H	94.2	Very high	86.8	Confident	26 Å²	26	45.1 Å²	45.1	12%	0.12	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131	-177.6	-57.9	168.9	0	0	0	109.5	P440 V441 I461	P440-H453 WeakPolarHBondContact CA-O 3.38Å; V441-H453 HydrophobicContact CB-CB 4.37Å; V441-H453 PolarHBondContact N-O 3.41Å; V441-H453 PolarHBondContact O-N 2.99Å; H453-I461 WeakPolarHBondContact CA-O 3.29Å
454	L	94.8	Very high	87.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.7	169.2	-64.8	-177.5	0	0	0	109	L413 L437 P440 F452 S460 I461 L463 I478	L413-L454 HydrophobicContact CD2-CD1 3.39Å; L437-L454 HydrophobicContact CD1-CB 4.34Å; L437-L454 HydrophobicContact CD2-CD2 4.45Å; P440-L454 HydrophobicContact CB-CD2 4.03Å; P440-L454 HydrophobicContact CG-CD2 3.89Å; F452-L454 HydrophobicContact CD2-CD2 3.98Å; F452-L454 HydrophobicContact CD2-CG 4.06Å; F452-L454 HydrophobicContact CE2-CD1 4.04Å; F452-L454 HydrophobicContact CE2-CD2 3.85Å; F452-L454 HydrophobicContact CE2-CG 3.76Å; L454-S460 CarbonylContact O-C 3.22Å; L454-S460 VanDerWaalsContact O-CA 3.26Å; L454-S460 WeakPolarHBondContact O-CA 3.23Å; L454-I461 PolarHBondContact N-O 2.76Å; L454-I461 PolarHBondContact O-N 2.94Å; L454-L463 HydrophobicContact CD1-CD1 3.54Å; L454-L463 HydrophobicContact CG-CD1 4Å; L454-I478 HydrophobicContact CD1-CD1 4.15Å; L454-I478 HydrophobicContact CD2-CD1 4.03Å; L454-I478 HydrophobicContact CD2-CG2 4.26Å
455	R	91.1	Very high	88.6	Confident	46 Å²	46	38.6 Å²	38.6	17%	0.174	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.6	179.5	-168.5	176.1	65.6	171.7	3.4	109.7	L437 D438 R459 E533 A538	L437-R455 WeakPolarHBondContact CD1-O 3.43Å; D438-R455 HydrophobicContact CB-CB 4.42Å; D438-R455 WeakPolarHBondContact CB-O 3.44Å; D438-R455 PolarHBondContact N-O 3.2Å; D438-R455 IonicContact OD2-CZ 3.28Å; D438-R455 VanDerWaalsContact OD2-CZ 3.23Å; D438-R455 IonicContact OD2-NE 3.77Å; D438-R455 PolarHBondContact OD2-NE 3.03Å; D438-R455 IonicContact OD2-NH2 3.39Å; D438-R455 PolarHBondContact OD2-NH2 3.31Å; R455-R459 CarbonylContact C-O 3.59Å; R455-E533 IonicContact CZ-OE1 3.31Å; R455-E533 IonicContact CZ-OE2 3.91Å; R455-E533 IonicContact NH1-OE1 3.14Å; R455-E533 IonicContact NH1-OE2 2.95Å; R455-E533 PolarHBondContact NH1-OE2 2.82Å; R455-E533 VanDerWaalsContact NH2-CD 3.25Å; R455-E533 IonicContact NH2-OE1 3.59Å; R455-E533 PolarHBondContact NH2-OE1 3.24Å; R455-E533 IonicContact NH2-OE2 2.76Å; R455-E533 PolarHBondContact NH2-OE2 2.84Å; R455-A538 VanDerWaalsContact CD-O 3.26Å; R455-A538 WeakPolarHBondContact CD-O 3.5Å; R455-A538 WeakPolarHBondContact CG-O 3.42Å
456	S	88.8	Confident	89.5	Confident	8 Å²	8	44.3 Å²	44.3	6%	0.056	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-124.6	174.3	167	62.5	0	0	0	0	107.3	T436 R458 R459	T436-S456 WeakPolarHBondContact O-CA 3.48Å; T436-S456 WeakPolarHBondContact O-CB 3.46Å; S456-R458 VanDerWaalsContact C-N 3.28Å; S456-R458 PolarHBondContact O-N 3.2Å; S456-R459 PolarHBondContact N-O 3.18Å; S456-R459 PolarHBondContact O-N 2.98Å; S456-R459 VanDerWaalsContact O-O 3.13Å; S456-R459 WeakPolarHBondContact OG-CB 3.36Å; S456-R459 PolarHBondContact OG-N 2.91Å; S456-R459 VanDerWaalsContact OG-N 3.13Å; S456-R459 PolarHBondContact OG-O 2.84Å
457	Q	82.8	Confident	90.6	Very high	101 Å²	101	43.9 Å²	43.9	47%	0.472	21%	0.213	S	C	.	.	S	Bend	trans	-51.6	-46.2	179	-166.8	178.6	24	0	0	112.7	K537 A538 Y585	Q457-K537 WeakPolarHBondContact O-CA 3.07Å; Q457-A538 PolarHBondContact O-N 3.13Å; Q457-Y585 WeakPolarHBondContact O-CB 3.42Å
458	R	85.7	Confident	91.5	Very high	136 Å²	136	45.7 Å²	45.7	51%	0.513	22%	0.221	S	C	.	.	S	Bend	trans	-103.1	-8.7	-173.2	-68.9	-176.8	165.4	175.1	-6.4	115.1	S456 D587	S456-R458 VanDerWaalsContact C-N 3.28Å; S456-R458 PolarHBondContact O-N 3.2Å; R458-D587 IonicContact CZ-OD1 2.76Å; R458-D587 IonicContact NH2-OD1 3.95Å; R458-D587 PolarHBondContact NH2-OD1 2.65Å; R458-D587 IonicContact NH2-OD2 3.69Å; R458-D587 PolarHBondContact NH2-OD2 2.88Å
459	R	88.8	Confident	92.1	Very high	148 Å²	148	48.1 Å²	48.1	56%	0.558	24%	0.241	S	C	*	.			trans	-142.8	144	-173.7	-60.9	-67.9	-179.8	-135.6	4.8	112.2	L432 R455 S456	L432-R459 HydrophobicContact CD2-CB 4.48Å; R455-R459 CarbonylContact C-O 3.59Å; S456-R459 PolarHBondContact N-O 3.18Å; S456-R459 PolarHBondContact O-N 2.98Å; S456-R459 VanDerWaalsContact O-O 3.13Å; S456-R459 WeakPolarHBondContact OG-CB 3.36Å; S456-R459 PolarHBondContact OG-N 2.91Å; S456-R459 VanDerWaalsContact OG-N 3.13Å; S456-R459 PolarHBondContact OG-O 2.84Å
460	S	91.9	Very high	92.6	Very high	34 Å²	34	47.6 Å²	47.6	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.4	168.1	62.7	0	0	0	0	110.2	L454 P539 P540	L454-S460 CarbonylContact O-C 3.22Å; L454-S460 VanDerWaalsContact O-CA 3.26Å; L454-S460 WeakPolarHBondContact O-CA 3.23Å; S460-P539 PolarHBondContact OG-O 3.39Å; S460-P540 WeakPolarHBondContact OG-CA 3.37Å
461	I	93.7	Very high	92.8	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129	-179.1	-49.8	-179.4	0	0	0	109	K395 Y415 L432 H453 L454 L463	K395-I461 HydrophobicContact CG-CG2 3.89Å; Y415-I461 HydrophobicContact CD1-CD1 4.19Å; Y415-I461 HydrophobicContact CD2-CD1 4.17Å; Y415-I461 HydrophobicContact CE2-CG2 4.15Å; Y415-I461 HydrophobicContact CG-CD1 3.97Å; L432-I461 HydrophobicContact CD1-CD1 3.96Å; H453-I461 WeakPolarHBondContact CA-O 3.29Å; L454-I461 PolarHBondContact N-O 2.76Å; L454-I461 PolarHBondContact O-N 2.94Å; I461-L463 HydrophobicContact CG2-CD2 3.73Å; I461-L463 HydrophobicContact CG2-CG 3.91Å
462	I	94.4	Very high	92.9	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	170.8	-57.7	178.6	0	0	0	107.8	H396 E451 P540 W541 P543	H396-I462 HydrophobicContact CB-CB 4.18Å; H396-I462 HydrophobicContact CB-CG2 3.78Å; H396-I462 PolarHBondContact N-O 2.88Å; E451-I462 WeakPolarHBondContact OE2-CG2 3.41Å; I462-P540 HydrophobicContact CD1-CB 4.4Å; I462-P540 HydrophobicContact CG1-CB 4.27Å; I462-W541 WeakPolarHBondContact CD1-O 3.32Å; I462-P543 HydrophobicContact CD1-CG 4.27Å
463	L	96.8	Very high	92.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.3	-177.4	-65.3	170.7	0	0	0	109.8	I393 M394 K395 L406 Y415 E451 F452 L454 I461	I393-L463 HydrophobicContact CD1-CB 3.73Å; I393-L463 HydrophobicContact CD1-CD1 4.19Å; I393-L463 HydrophobicContact CD1-CD2 4.36Å; I393-L463 HydrophobicContact CD1-CG 4.32Å; I393-L463 HydrophobicContact CG1-CB 4.26Å; I393-L463 HydrophobicContact CG1-CD2 4.48Å; I393-L463 HydrophobicContact CG2-CD2 3.99Å; M394-L463 CarbonylContact O-C 3.6Å; M394-L463 WeakPolarHBondContact O-CA 3.38Å; K395-L463 HydrophobicContact CB-CD2 4.33Å; L406-L463 HydrophobicContact CD1-CD1 3.8Å; Y415-L463 HydrophobicContact CD2-CD2 4.47Å; Y415-L463 HydrophobicContact CE2-CD2 4.18Å; E451-L463 CarbonylContact C-O 3.57Å; E451-L463 WeakPolarHBondContact CA-O 3.32Å; E451-L463 VanDerWaalsContact CB-O 3.31Å; E451-L463 WeakPolarHBondContact CB-O 3.16Å; F452-L463 HydrophobicContact CD1-CB 4.3Å; F452-L463 HydrophobicContact CD2-CD1 4.41Å; F452-L463 HydrophobicContact CE1-CB 3.95Å; F452-L463 HydrophobicContact CE1-CD1 4.39Å; F452-L463 HydrophobicContact CE2-CB 4.25Å; F452-L463 HydrophobicContact CE2-CD1 3.53Å; F452-L463 HydrophobicContact CE2-CG 4.5Å; F452-L463 HydrophobicContact CZ-CB 3.91Å; F452-L463 HydrophobicContact CZ-CD1 3.53Å; F452-L463 HydrophobicContact CZ-CG 4.39Å; F452-L463 PolarHBondContact N-O 3.34Å; F452-L463 PolarHBondContact O-N 2.96Å; L454-L463 HydrophobicContact CD1-CD1 3.54Å; L454-L463 HydrophobicContact CG-CD1 4Å; I461-L463 HydrophobicContact CG2-CD2 3.73Å; I461-L463 HydrophobicContact CG2-CG 3.91Å
464	L	94.9	Very high	93.1	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.188	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.9	-175.1	176	77.3	0	0	0	109	I393 M394 I401 L450 E451	I393-L464 WeakPolarHBondContact CG1-O 3.35Å; M394-L464 HydrophobicContact CB-CB 4.06Å; M394-L464 HydrophobicContact CB-CD2 4.27Å; M394-L464 HydrophobicContact CB-CG 4.48Å; M394-L464 WeakPolarHBondContact CB-O 3.46Å; M394-L464 PolarHBondContact N-O 3.25Å; M394-L464 PolarHBondContact O-N 3.17Å; I401-L464 HydrophobicContact CD1-CD2 4.25Å; I401-L464 HydrophobicContact CG2-CD2 4.37Å; L450-L464 HydrophobicContact CB-CD1 3.5Å; L450-L464 VanDerWaalsContact CB-CD1 3.5Å; E451-L464 HydrophobicContact CG-CB 4.09Å; E451-L464 HydrophobicContact CG-CD1 3.46Å; E451-L464 VanDerWaalsContact CG-CD1 3.46Å; E451-L464 HydrophobicContact CG-CG 4.41Å
465	C	96.3	Very high	93.2	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.047	26%	0.261	C	S	.	.			trans	-95.5	167.7	177.6	-66.8	0	0	0	0	112.1	L450 E470 R471	L450-C465 PolarHBondContact O-N 3.16Å; C465-E470 HydrophobicContact CB-CB 4.16Å; C465-E470 HydrophobicContact CB-CG 4.07Å; C465-R471 HydrophobicContact CB-CB 4.01Å; C465-R471 VanDerWaalsContact SG-CA 3.58Å
466	K	93.2	Very high	93.4	Very high	140 Å²	140	58.4 Å²	58.4	61%	0.609	29%	0.285	S	S	*	.	S	Bend	trans	-76.2	-32.5	177.9	-60	172.5	-176.7	170.4	0	111.2	E392 E470	E392-K466 IonicContact OE2-NZ 3.93Å; E392-K466 PolarHBondContact OE2-NZ 3.36Å; E392-K466 VanDerWaalsContact OE2-NZ 3.17Å; K466-E470 VanDerWaalsContact CB-OE2 3.3Å; K466-E470 WeakPolarHBondContact CB-OE2 3.38Å; K466-E470 PolarHBondContact N-OE2 3.31Å
467	T	93.4	Very high	93.8	Very high	71 Å²	71	59.3 Å²	59.3	44%	0.436	29%	0.293	S	S	.	.	S	Bend	trans	-138	159.9	179.7	68.6	0	0	0	0	111.5	L450 A469 E470 R471	L450-T467 VanDerWaalsContact CD2-C 3.42Å; T467-A469 VanDerWaalsContact C-N 3.31Å; T467-E470 PolarHBondContact O-N 3Å; T467-E470 WeakPolarHBondContact OG1-CB 3.26Å; T467-E470 PolarHBondContact OG1-N 3.14Å; T467-E470 VanDerWaalsContact OG1-N 3.11Å; T467-R471 PolarHBondContact O-N 3.26Å; T467-R471 VanDerWaalsContact O-N 3.09Å
468	T	91.6	Very high	94.4	Very high	68 Å²	68	54.5 Å²	54.5	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-36.8	173.9	48.1	0	0	0	0	111.8	L450 E470 R471 D472	L450-T468 HydrophobicContact CD2-CG2 3.82Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 PolarHBondContact O-N 3.24Å; T468-R471 WeakPolarHBondContact O-CB 3.49Å; T468-R471 PolarHBondContact O-N 2.95Å; T468-D472 WeakPolarHBondContact O-CB 3.42Å; T468-D472 PolarHBondContact O-N 2.97Å
469	A	94.4	Very high	94.9	Very high	54 Å²	54	52.2 Å²	52.2	45%	0.446	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-41.7	174.9	0	0	0	0	0	112.1	T467 D472 Q473	T467-A469 VanDerWaalsContact C-N 3.31Å; A469-D472 PolarHBondContact O-N 2.84Å; A469-Q473 VanDerWaalsContact O-CG 3.27Å; A469-Q473 WeakPolarHBondContact O-CG 3.36Å; A469-Q473 PolarHBondContact O-N 3.4Å
470	E	95.8	Very high	95.1	Very high	42 Å²	42	47.3 Å²	47.3	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-42.4	175.5	-178.8	-177.8	-158.2	0	0	111.7	C465 K466 T467 T468 D472 Q473 W474	C465-E470 HydrophobicContact CB-CB 4.16Å; C465-E470 HydrophobicContact CB-CG 4.07Å; K466-E470 VanDerWaalsContact CB-OE2 3.3Å; K466-E470 WeakPolarHBondContact CB-OE2 3.38Å; K466-E470 PolarHBondContact N-OE2 3.31Å; T467-E470 PolarHBondContact O-N 3Å; T467-E470 WeakPolarHBondContact OG1-CB 3.26Å; T467-E470 PolarHBondContact OG1-N 3.14Å; T467-E470 VanDerWaalsContact OG1-N 3.11Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 PolarHBondContact O-N 3.24Å; E470-D472 VanDerWaalsContact C-N 3.34Å; E470-D472 PolarHBondContact O-N 3.45Å; E470-Q473 PolarHBondContact O-N 3.16Å; E470-W474 VanDerWaalsContact O-CD1 3.29Å; E470-W474 PolarHBondContact O-N 3.09Å
471	R	96.2	Very high	95.2	Very high	40 Å²	40	45.7 Å²	45.7	15%	0.151	24%	0.241	C	C	.	.	H	α-helix	trans	-55.5	-50.2	173	176.7	-154.3	66.9	178.8	-1.2	110.7	L442 S449 E451 F452 C465 T467 T468 Q473 W474 V475	L442-R471 HydrophobicContact CD2-CG 4.34Å; S449-R471 VanDerWaalsContact O-CD 3.3Å; S449-R471 WeakPolarHBondContact O-CD 3.3Å; S449-R471 VanDerWaalsContact O-CZ 3.31Å; S449-R471 PolarHBondContact O-NH1 2.66Å; E451-R471 WeakPolarHBondContact O-CD 3.42Å; F452-R471 HydrophobicContact CB-CG 4.4Å; F452-R471 HydrophobicContact CD1-CG 3.97Å; C465-R471 HydrophobicContact CB-CB 4.01Å; C465-R471 VanDerWaalsContact SG-CA 3.58Å; T467-R471 PolarHBondContact O-N 3.26Å; T467-R471 VanDerWaalsContact O-N 3.09Å; T468-R471 WeakPolarHBondContact O-CB 3.49Å; T468-R471 PolarHBondContact O-N 2.95Å; R471-Q473 VanDerWaalsContact C-N 3.34Å; R471-Q473 PolarHBondContact O-N 3.35Å; R471-W474 PolarHBondContact O-N 3.34Å; R471-V475 HydrophobicContact CG-CG2 4.43Å; R471-V475 WeakPolarHBondContact O-CB 3.28Å; R471-V475 VanDerWaalsContact O-CG2 3.3Å; R471-V475 WeakPolarHBondContact O-CG2 3.38Å; R471-V475 PolarHBondContact O-N 3.15Å
472	D	95.7	Very high	95.1	Very high	67 Å²	67	45.4 Å²	45.4	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-39.2	-176.6	-65.6	-19.2	0	0	0	111.8	T468 A469 E470 V475 Q476	T468-D472 WeakPolarHBondContact O-CB 3.42Å; T468-D472 PolarHBondContact O-N 2.97Å; A469-D472 PolarHBondContact O-N 2.84Å; E470-D472 VanDerWaalsContact C-N 3.34Å; E470-D472 PolarHBondContact O-N 3.45Å; D472-V475 PolarHBondContact O-N 2.94Å; D472-Q476 VanDerWaalsContact O-CB 3.28Å; D472-Q476 WeakPolarHBondContact O-CB 3.16Å; D472-Q476 PolarHBondContact O-N 3Å
473	Q	96.8	Very high	95	Very high	106 Å²	106	47.4 Å²	47.4	50%	0.495	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-42.8	173	-73.8	175.1	15.2	0	0	112.7	A469 E470 R471 A477	A469-Q473 VanDerWaalsContact O-CG 3.27Å; A469-Q473 WeakPolarHBondContact O-CG 3.36Å; A469-Q473 PolarHBondContact O-N 3.4Å; E470-Q473 PolarHBondContact O-N 3.16Å; R471-Q473 VanDerWaalsContact C-N 3.34Å; R471-Q473 PolarHBondContact O-N 3.35Å; Q473-A477 WeakPolarHBondContact O-CB 3.35Å; Q473-A477 PolarHBondContact O-N 3.49Å
474	W	97.5	Very high	94.6	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-46.5	176.2	-87.5	114.5	0	0	0	111.7	K389 L406 L408 F452 E470 R471 A477 I478	K389-W474 HydrophobicContact CB-CH2 4.18Å; K389-W474 HydrophobicContact CB-CZ3 3.92Å; K389-W474 HydrophobicContact CD-CD2 3.9Å; K389-W474 HydrophobicContact CD-CE3 3.63Å; K389-W474 HydrophobicContact CD-CH2 3.99Å; K389-W474 HydrophobicContact CD-CZ2 4.22Å; K389-W474 HydrophobicContact CD-CZ3 3.68Å; K389-W474 VanDerWaalsContact CE-CD2 3.48Å; K389-W474 VanDerWaalsContact CE-CE2 3.49Å; K389-W474 HydrophobicContact CG-CE3 4.21Å; K389-W474 HydrophobicContact CG-CH2 3.69Å; K389-W474 HydrophobicContact CG-CZ2 4.15Å; K389-W474 HydrophobicContact CG-CZ3 3.72Å; L406-W474 HydrophobicContact CB-CH2 3.7Å; L406-W474 HydrophobicContact CB-CZ2 4.23Å; L406-W474 HydrophobicContact CB-CZ3 4.05Å; L406-W474 HydrophobicContact CD1-CE3 4.39Å; L406-W474 HydrophobicContact CD1-CZ3 4.36Å; L408-W474 HydrophobicContact CB-CZ3 4.26Å; F452-W474 HydrophobicContact CE1-CB 3.89Å; F452-W474 HydrophobicContact CE1-CG 4.44Å; F452-W474 HydrophobicContact CZ-CB 3.87Å; F452-W474 HydrophobicContact CZ-CG 4.38Å; E470-W474 VanDerWaalsContact O-CD1 3.29Å; E470-W474 PolarHBondContact O-N 3.09Å; R471-W474 PolarHBondContact O-N 3.34Å; W474-A477 PolarHBondContact O-N 3.17Å; W474-I478 HydrophobicContact CE3-CD1 4.38Å; W474-I478 WeakPolarHBondContact O-CB 3.47Å; W474-I478 VanDerWaalsContact O-CG1 3.24Å; W474-I478 WeakPolarHBondContact O-CG1 3.26Å; W474-I478 PolarHBondContact O-N 3.49Å
475	V	96.8	Very high	94.3	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-47.1	179	164.7	0	0	0	0	111	P440 L442 F452 R471 D472 I478 R479	P440-V475 HydrophobicContact CB-CB 4.44Å; P440-V475 HydrophobicContact CB-CG1 4.14Å; P440-V475 HydrophobicContact CB-CG2 4.05Å; L442-V475 HydrophobicContact CD2-CG2 4.05Å; F452-V475 HydrophobicContact CB-CG2 3.63Å; F452-V475 HydrophobicContact CD1-CG2 4.11Å; F452-V475 HydrophobicContact CD2-CG2 4.07Å; F452-V475 HydrophobicContact CG-CG2 3.69Å; R471-V475 HydrophobicContact CG-CG2 4.43Å; R471-V475 WeakPolarHBondContact O-CB 3.28Å; R471-V475 VanDerWaalsContact O-CG2 3.3Å; R471-V475 WeakPolarHBondContact O-CG2 3.38Å; R471-V475 PolarHBondContact O-N 3.15Å; D472-V475 PolarHBondContact O-N 2.94Å; V475-I478 PolarHBondContact O-N 3.32Å; V475-R479 WeakPolarHBondContact O-CG 3.43Å; V475-R479 PolarHBondContact O-N 3.28Å
476	Q	96	Very high	93.7	Very high	142 Å²	142	55.2 Å²	55.2	66%	0.664	29%	0.294	S	S	*	.	H	α-helix	trans	-63.1	-44.2	177	-173.5	179.5	20.8	0	0	111.9	D472 R479 A480	D472-Q476 VanDerWaalsContact O-CB 3.28Å; D472-Q476 WeakPolarHBondContact O-CB 3.16Å; D472-Q476 PolarHBondContact O-N 3Å; Q476-R479 PolarHBondContact O-N 3.05Å; Q476-A480 WeakPolarHBondContact O-CB 3.27Å; Q476-A480 PolarHBondContact O-N 3.32Å
477	A	96	Very high	93	Very high	27 Å²	27	51.1 Å²	51.1	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-42.4	179.4	0	0	0	0	0	112.2	K389 L408 Q473 W474 A481	K389-A477 HydrophobicContact CD-CB 3.88Å; L408-A477 HydrophobicContact CD2-CB 3.98Å; Q473-A477 WeakPolarHBondContact O-CB 3.35Å; Q473-A477 PolarHBondContact O-N 3.49Å; W474-A477 PolarHBondContact O-N 3.17Å; A477-A481 WeakPolarHBondContact O-CB 3.47Å; A477-A481 PolarHBondContact O-N 2.81Å
478	I	96.5	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-43.4	179	-66.9	167.5	0	0	0	110.6	L408 L413 L437 P440 F452 L454 W474 V475 A481 I482	L408-I478 HydrophobicContact CD1-CG1 4.31Å; L408-I478 HydrophobicContact CD2-CG1 3.99Å; L413-I478 HydrophobicContact CD2-CD1 4.38Å; L437-I478 HydrophobicContact CD2-CG2 3.89Å; P440-I478 HydrophobicContact CG-CB 3.88Å; P440-I478 HydrophobicContact CG-CG2 3.61Å; F452-I478 HydrophobicContact CE2-CD1 3.82Å; F452-I478 HydrophobicContact CZ-CD1 4.24Å; L454-I478 HydrophobicContact CD1-CD1 4.15Å; L454-I478 HydrophobicContact CD2-CD1 4.03Å; L454-I478 HydrophobicContact CD2-CG2 4.26Å; W474-I478 HydrophobicContact CE3-CD1 4.38Å; W474-I478 WeakPolarHBondContact O-CB 3.47Å; W474-I478 VanDerWaalsContact O-CG1 3.24Å; W474-I478 WeakPolarHBondContact O-CG1 3.26Å; W474-I478 PolarHBondContact O-N 3.49Å; V475-I478 PolarHBondContact O-N 3.32Å; I478-A481 WeakPolarHBondContact O-CB 3.41Å; I478-A481 PolarHBondContact O-N 3.34Å; I478-I482 HydrophobicContact CG2-CD1 3.84Å; I478-I482 HydrophobicContact CG2-CG1 4.33Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.36Å; I478-I482 PolarHBondContact O-N 2.84Å
479	R	95.1	Very high	89.4	Confident	89 Å²	89	57.9 Å²	57.9	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-51.1	174.9	-73.7	179	-169.6	143.4	3.4	111.7	P440 V475 Q476 A481 I482 D483	P440-R479 HydrophobicContact CG-CG 4.16Å; P440-R479 PolarHBondContact O-NH2 3.45Å; V475-R479 WeakPolarHBondContact O-CG 3.43Å; V475-R479 PolarHBondContact O-N 3.28Å; Q476-R479 PolarHBondContact O-N 3.05Å; R479-A481 PolarHBondContact O-N 3.23Å; R479-I482 PolarHBondContact O-N 2.88Å; R479-I482 VanDerWaalsContact O-N 3.1Å; R479-D483 PolarHBondContact O-N 2.85Å
480	A	93	Very high	86.8	Confident	45 Å²	45	58.6 Å²	58.6	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-35	177.5	0	0	0	0	0	112.5	Q476 H484	Q476-A480 WeakPolarHBondContact O-CB 3.27Å; Q476-A480 PolarHBondContact O-N 3.32Å; A480-H484 VanDerWaalsContact O-CB 3.29Å; A480-H484 WeakPolarHBondContact O-CB 3.3Å; A480-H484 PolarHBondContact O-N 2.87Å
481	A	94.1	Very high	83.7	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-41.7	175.9	0	0	0	0	0	112.8	F388 L408 L434 A477 I478 R479 D483 H484 A485	F388-A481 HydrophobicContact CD2-CB 3.73Å; F388-A481 HydrophobicContact CE2-CB 4.06Å; L408-A481 HydrophobicContact CD1-CB 3.84Å; L408-A481 HydrophobicContact CD2-CB 4.03Å; L408-A481 HydrophobicContact CG-CB 4.16Å; L434-A481 HydrophobicContact CD1-CB 3.72Å; A477-A481 WeakPolarHBondContact O-CB 3.47Å; A477-A481 PolarHBondContact O-N 2.81Å; I478-A481 WeakPolarHBondContact O-CB 3.41Å; I478-A481 PolarHBondContact O-N 3.34Å; R479-A481 PolarHBondContact O-N 3.23Å; A481-D483 VanDerWaalsContact C-N 3.34Å; A481-H484 PolarHBondContact O-N 2.84Å; A481-A485 WeakPolarHBondContact O-CB 3.4Å; A481-A485 PolarHBondContact O-N 2.96Å
482	I	93.4	Very high	80.7	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.015	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-46	174.1	-69	167.7	0	0	0	109.7	L434 L437 I478 R479 H484 A485 N486	L434-I482 HydrophobicContact CD2-CG1 4.37Å; L437-I482 HydrophobicContact CB-CD1 4.2Å; L437-I482 HydrophobicContact CB-CG1 4.45Å; L437-I482 HydrophobicContact CD2-CD1 4.08Å; L437-I482 HydrophobicContact CD2-CG1 4.46Å; L437-I482 HydrophobicContact CG-CD1 4.21Å; I478-I482 HydrophobicContact CG2-CD1 3.84Å; I478-I482 HydrophobicContact CG2-CG1 4.33Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.36Å; I478-I482 PolarHBondContact O-N 2.84Å; R479-I482 PolarHBondContact O-N 2.88Å; R479-I482 VanDerWaalsContact O-N 3.1Å; I482-H484 VanDerWaalsContact C-N 3.34Å; I482-H484 PolarHBondContact O-N 3.29Å; I482-A485 PolarHBondContact O-N 2.75Å; I482-N486 VanDerWaalsContact CG2-ND2 3.32Å; I482-N486 WeakPolarHBondContact CG2-ND2 3.49Å; I482-N486 WeakPolarHBondContact O-CB 3.27Å; I482-N486 PolarHBondContact O-N 3.03Å; I482-N486 PolarHBondContact O-ND2 2.91Å
483	D	91.1	Very high	77.6	Confident	52 Å²	52	79.9 Å²	79.9	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-41.6	178.2	-69.7	-31.9	0	0	0	112.1	R479 A481 G487 R488 F489	R479-D483 PolarHBondContact O-N 2.85Å; A481-D483 VanDerWaalsContact C-N 3.34Å; D483-G487 PolarHBondContact O-N 3.42Å; D483-R488 HydrophobicContact CB-CB 4.29Å; D483-R488 PolarHBondContact O-N 3.49Å; D483-F489 HydrophobicContact CB-CD2 4.23Å; D483-F489 HydrophobicContact CB-CE2 4.14Å
484	H	87.7	Confident	74.7	Confident	101 Å²	101	81.5 Å²	81.5	47%	0.468	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-48.3	173.8	177.2	-80.6	0	0	0	111.7	F388 A480 A481 I482 N486 G487 F489	F388-H484 HydrophobicContact CE2-CB 4.49Å; A480-H484 VanDerWaalsContact O-CB 3.29Å; A480-H484 WeakPolarHBondContact O-CB 3.3Å; A480-H484 PolarHBondContact O-N 2.87Å; A481-H484 PolarHBondContact O-N 2.84Å; I482-H484 VanDerWaalsContact C-N 3.34Å; I482-H484 PolarHBondContact O-N 3.29Å; H484-N486 PolarHBondContact O-N 3.16Å; H484-G487 PolarHBondContact O-N 3.4Å; H484-F489 HydrophobicContact CB-CD2 4.34Å; H484-F489 HydrophobicContact CB-CE2 4.42Å
485	A	88.6	Confident	71.5	Confident	41 Å²	41	83 Å²	83	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-34.8	-178.3	0	0	0	0	0	113.2	L434 A481 I482 G487	L434-A485 HydrophobicContact CB-CB 3.73Å; L434-A485 HydrophobicContact CD1-CB 4.05Å; A481-A485 WeakPolarHBondContact O-CB 3.4Å; A481-A485 PolarHBondContact O-N 2.96Å; I482-A485 PolarHBondContact O-N 2.75Å; A485-G487 VanDerWaalsContact C-N 3.27Å; A485-G487 PolarHBondContact O-N 2.99Å
486	N	85.4	Confident	68.7	Low	65 Å²	65	86.2 Å²	86.2	35%	0.348	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.4	179.2	-71	-27.8	0	0	0	113.5	Y435 I482 H484 R488	Y435-N486 WeakPolarHBondContact CA-OD1 3.27Å; I482-N486 VanDerWaalsContact CG2-ND2 3.32Å; I482-N486 WeakPolarHBondContact CG2-ND2 3.49Å; I482-N486 WeakPolarHBondContact O-CB 3.27Å; I482-N486 PolarHBondContact O-N 3.03Å; I482-N486 PolarHBondContact O-ND2 2.91Å; H484-N486 PolarHBondContact O-N 3.16Å; N486-R488 HydrophobicContact CB-CG 4.02Å; N486-R488 PolarHBondContact O-N 2.87Å
487	G	77	Confident	65.7	Low	54 Å²	54	83.9 Å²	83.9	56%	0.557	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	17.7	-176.1	0	0	0	0	0	113.7	D483 H484 A485 F489	D483-G487 PolarHBondContact O-N 3.42Å; H484-G487 PolarHBondContact O-N 3.4Å; A485-G487 VanDerWaalsContact C-N 3.27Å; A485-G487 PolarHBondContact O-N 2.99Å; G487-F489 PolarHBondContact O-N 3.45Å
488	R	61.3	Low	62.8	Low	137 Å²	137	87.5 Å²	87.5	52%	0.517	48%	0.476	S	S	.	.			trans	-71.8	-6.1	176.3	-67.9	-180	177.4	-170.8	-7.8	112.4	D483 N486 G490 E525	D483-R488 HydrophobicContact CB-CB 4.29Å; D483-R488 PolarHBondContact O-N 3.49Å; N486-R488 HydrophobicContact CB-CG 4.02Å; N486-R488 PolarHBondContact O-N 2.87Å; R488-G490 PolarHBondContact O-N 3.25Å; R488-E525 IonicContact NH2-OE1 2.64Å
489	F	49.9	Very low	59.6	Low	145 Å²	145	95.1 Å²	95.1	64%	0.636	51%	0.514	S	S	*	.	S	Bend	trans	-68.1	82.8	156.6	-88.5	-94.4	0	0	0	109.7	D483 H484 G487 Y491	D483-F489 HydrophobicContact CB-CD2 4.23Å; D483-F489 HydrophobicContact CB-CE2 4.14Å; H484-F489 HydrophobicContact CB-CD2 4.34Å; H484-F489 HydrophobicContact CB-CE2 4.42Å; G487-F489 PolarHBondContact O-N 3.45Å; F489-Y491 PolarHBondContact O-N 3.12Å; F489-Y491 VanDerWaalsContact O-N 3.08Å
490	G	38.1	Very low	56.7	Low	68 Å²	68	96.8 Å²	96.8	70%	0.701	53%	0.533	S	S	*	.			trans	-54.7	114	166	0	0	0	0	0	110	R488 R492	R488-G490 PolarHBondContact O-N 3.25Å; G490-R492 PolarHBondContact O-N 3.19Å
491	Y	31	Very low	53.7	Low	220 Å²	220	102.4 Å²	102.4	86%	0.863	55%	0.545	S	S	*	.	S	Bend	trans	21.6	89.9	152.1	-160.6	-96.9	0	0	0	116.3	F489	F489-Y491 PolarHBondContact O-N 3.12Å; F489-Y491 VanDerWaalsContact O-N 3.08Å
492	R	33.4	Very low	50.5	Low	218 Å²	218	109.6 Å²	109.6	82%	0.823	58%	0.583	S	S	*	*			trans	-168.5	105.4	133.3	-102.9	165	-166.9	-168.2	4.2	106.7	G490 V494	G490-R492 PolarHBondContact O-N 3.19Å; R492-V494 PolarHBondContact O-N 2.86Å
493	D	29.9	Very low	47.4	Very low	159 Å²	159	114.8 Å²	114.8	85%	0.85	62%	0.617	S	S	*	*			trans	-41.7	93.5	154.1	-161.8	10.8	0	0	0	107.8	G495	D493-G495 PolarHBondContact O-N 2.96Å; D493-G495 PolarHBondContact OD1-N 2.84Å
494	V	36.4	Very low	44.9	Very low	139 Å²	139	115 Å²	115	84%	0.842	62%	0.619	S	S	*	*			trans	-79.4	63.9	156.8	-164.3	0	0	0	0	104.2	R492 C496	R492-V494 PolarHBondContact O-N 2.86Å; V494-C496 PolarHBondContact O-N 2.78Å
495	G	30.9	Very low	42.3	Very low	36 Å²	36	112 Å²	112	37%	0.371	61%	0.606	S	S	.	*			trans	-47.4	126.1	156.8	0	0	0	0	0	105.5	D493 D497	D493-G495 PolarHBondContact O-N 2.96Å; D493-G495 PolarHBondContact OD1-N 2.84Å; G495-D497 PolarHBondContact O-N 2.89Å
496	C	37.5	Very low	39.5	Very low	69 Å²	69	114.3 Å²	114.3	47%	0.466	63%	0.625	S	S	.	*	S	Bend	trans	-37.4	138.4	159.2	57.2	0	0	0	0	109.8	L352 V494	L352-C496 HydrophobicContact CB-CB 4.4Å; L352-C496 HydrophobicContact CD1-CB 3.85Å; L352-C496 HydrophobicContact CD2-CB 3.57Å; L352-C496 HydrophobicContact CG-CB 4.11Å; V494-C496 PolarHBondContact O-N 2.78Å
497	D	34.1	Very low	37.2	Very low	93 Å²	93	114.1 Å²	114.1	50%	0.497	63%	0.628	S	S	.	*			trans	92.3	69.6	175.7	-126.6	23	0	0	0	118.5	L352 G495	L352-D497 HydrophobicContact CD1-CB 3.56Å; G495-D497 PolarHBondContact O-N 2.89Å
498	S	33.8	Very low	35.6	Very low	103 Å²	103	119.9 Å²	119.9	72%	0.72	63%	0.633	S	S	*	*			trans	-160.2	67	133.2	-139.6	0	0	0	0	112.2	V500	S498-V500 VanDerWaalsContact C-N 3.25Å; S498-V500 PolarHBondContact O-N 3.21Å
499	M	28.8	Very low	34.2	Very low	160 Å²	160	122.9 Å²	122.9	79%	0.788	65%	0.646	S	S	*	*			trans	-86.8	71.2	154.9	-87.9	-167.8	58.8	0	0	109.1	R501	M499-R501 PolarHBondContact O-N 3.48Å
500	V	34.3	Very low	34	Very low	124 Å²	124	119.9 Å²	119.9	75%	0.752	64%	0.643	S	S	*	*			trans	-75.8	83.5	157.4	-179	0	0	0	0	108	S498 L502	S498-V500 VanDerWaalsContact C-N 3.25Å; S498-V500 PolarHBondContact O-N 3.21Å; V500-L502 PolarHBondContact O-N 3Å
501	R	30.5	Very low	34.5	Very low	164 Å²	164	121.6 Å²	121.6	62%	0.619	64%	0.635	S	S	*	*			trans	16.9	89.7	141.5	-59.3	179.4	-177.5	-159.9	-2.3	116.3	M499	M499-R501 PolarHBondContact O-N 3.48Å
502	L	27	Very low	35.1	Very low	151 Å²	151	118.2 Å²	118.2	79%	0.791	63%	0.627	S	S	*	*			trans	-102.2	151	140.3	-79.1	168.8	0	0	0	109.1	V500 V504	V500-L502 PolarHBondContact O-N 3Å; L502-V504 PolarHBondContact O-N 3.4Å
503	P	28.5	Very low	35.7	Very low	112 Å²	112	113.3 Å²	113.3	73%	0.727	62%	0.617	S	S	*	*			trans	-61.6	128.3	-163	-18.7	31.3	0	0	0	111.8	E505	P503-E505 PolarHBondContact O-N 2.93Å
504	V	38.3	Very low	36.3	Very low	55 Å²	55	112.9 Å²	112.9	33%	0.333	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-74.4	17.9	-162.7	179	0	0	0	0	113.8	Y131 L502 S507	Y131-V504 HydrophobicContact CE2-CG1 4.31Å; L502-V504 PolarHBondContact O-N 3.4Å; V504-S507 PolarHBondContact O-OG 3.33Å; V504-S507 VanDerWaalsContact O-OG 3.09Å
505	E	33	Very low	37	Very low	39 Å²	39	113.2 Å²	113.2	18%	0.182	60%	0.595	C	S	.	*	G	3₁₀ helix	trans	-97.5	-7.2	-175.6	-58.8	-166	-177.1	0	0	114.4	V125 Q126 N127 S128 P503	V125-E505 VanDerWaalsContact C-OE2 3.25Å; V125-E505 WeakPolarHBondContact CA-OE2 3.36Å; Q126-E505 PolarHBondContact N-OE2 3.15Å; N127-E505 VanDerWaalsContact CA-CD 3.44Å; N127-E505 WeakPolarHBondContact CA-OE1 3.28Å; N127-E505 HydrophobicContact CB-CB 3.88Å; N127-E505 HydrophobicContact CB-CG 3.63Å; N127-E505 PolarHBondContact N-OE1 2.87Å; N127-E505 PolarHBondContact N-OE2 3.03Å; S128-E505 WeakPolarHBondContact CB-OE1 3.23Å; S128-E505 PolarHBondContact N-OE1 3Å; S128-E505 VanDerWaalsContact OG-CG 3.31Å; S128-E505 WeakPolarHBondContact OG-CG 3.17Å; S128-E505 PolarHBondContact OG-OE1 2.87Å; P503-E505 PolarHBondContact O-N 2.93Å
506	A	30.1	Very low	37.5	Very low	89 Å²	89	118 Å²	118	74%	0.736	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-110.1	20.1	166	0	0	0	0	0	112.7
507	S	37.1	Very low	37.5	Very low	61 Å²	61	120.2 Å²	120.2	43%	0.427	61%	0.607	S	S	.	*			trans	-70.6	136.3	-168.3	67	0	0	0	0	114.4	V504 Y509	V504-S507 PolarHBondContact O-OG 3.33Å; V504-S507 VanDerWaalsContact O-OG 3.09Å; S507-Y509 PolarHBondContact O-N 2.81Å
508	R	43.1	Very low	38	Very low	175 Å²	175	120.1 Å²	120.1	66%	0.66	61%	0.607	S	S	*	*	S	Bend	trans	78	-22.5	161.5	-86	178.3	161	143.1	-3.5	121.8	Y131 S510 Q512	Y131-R508 PolarHBondContact OH-NH1 3.44Å; R508-S510 PolarHBondContact O-N 2.89Å; R508-Q512 PolarHBondContact O-N 3.26Å
509	Y	32.7	Very low	38.4	Very low	200 Å²	200	119.4 Å²	119.4	78%	0.784	60%	0.602	S	S	*	*	H	α-helix	trans	-69.4	-31.2	177	-77.5	-78.8	0	0	0	113.4	S507 L513	S507-Y509 PolarHBondContact O-N 2.81Å; Y509-L513 PolarHBondContact O-N 3.1Å
510	S	46.2	Very low	39	Very low	82 Å²	82	117.8 Å²	117.8	57%	0.573	60%	0.595	S	S	*	*	H	α-helix	trans	-78.3	-27.5	-178.9	58.8	0	0	0	0	114.4	R508 Y514	R508-S510 PolarHBondContact O-N 2.89Å; S510-Y514 PolarHBondContact O-N 2.83Å
511	I	47.4	Very low	39.4	Very low	105 Å²	105	119.4 Å²	119.4	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-84.9	-30.9	178.5	-61.9	173	0	0	0	111.1	L513 Y514 F515	I511-L513 VanDerWaalsContact C-N 3.29Å; I511-L513 PolarHBondContact O-N 2.77Å; I511-Y514 PolarHBondContact O-N 3.1Å; I511-Y514 VanDerWaalsContact O-N 3.17Å; I511-F515 HydrophobicContact CG2-CD2 4.15Å; I511-F515 HydrophobicContact CG2-CE2 4.31Å; I511-F515 PolarHBondContact O-N 3.3Å
512	Q	43.4	Very low	40.3	Very low	148 Å²	148	116.2 Å²	116.2	69%	0.692	60%	0.598	S	S	*	*	H	α-helix	trans	-62.6	-37.2	168.4	-165	92.3	19.9	0	0	111.1	R508 Y514 F516	R508-Q512 PolarHBondContact O-N 3.26Å; Q512-Y514 VanDerWaalsContact C-N 3.32Å; Q512-Y514 PolarHBondContact O-N 3.06Å; Q512-F516 WeakPolarHBondContact O-CB 3.37Å; Q512-F516 PolarHBondContact O-N 2.95Å
513	L	46	Very low	40.8	Very low	115 Å²	115	113.5 Å²	113.5	60%	0.602	59%	0.591	S	S	*	*	H	α-helix	trans	-65.8	-32.3	172.9	-85.6	161.8	0	0	0	112.7	Y509 I511 F516 F517	Y509-L513 PolarHBondContact O-N 3.1Å; I511-L513 VanDerWaalsContact C-N 3.29Å; I511-L513 PolarHBondContact O-N 2.77Å; L513-F516 CarbonylContact O-C 3.44Å; L513-F517 PolarHBondContact O-N 3.22Å
514	Y	43.7	Very low	41.1	Very low	151 Å²	151	112 Å²	112	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-76.8	-39.1	179.6	-172.4	-107.2	0	0	0	113.3	S510 I511 Q512 F516 F517 L518	S510-Y514 PolarHBondContact O-N 2.83Å; I511-Y514 PolarHBondContact O-N 3.1Å; I511-Y514 VanDerWaalsContact O-N 3.17Å; Q512-Y514 VanDerWaalsContact C-N 3.32Å; Q512-Y514 PolarHBondContact O-N 3.06Å; Y514-F516 VanDerWaalsContact C-N 3.31Å; Y514-F517 WeakPolarHBondContact O-CB 3.23Å; Y514-F517 PolarHBondContact O-N 3.1Å; Y514-F517 VanDerWaalsContact O-N 3.15Å; Y514-L518 HydrophobicContact CE1-CD1 4.37Å; Y514-L518 PolarHBondContact O-N 3.39Å; Y514-L518 VanDerWaalsContact O-N 3.09Å
515	F	50.4	Low	41.1	Very low	145 Å²	145	116.4 Å²	116.4	64%	0.636	61%	0.613	S	S	*	*	H	α-helix	trans	-71.1	-28.3	169.3	-86.4	-75.4	0	0	0	112.7	I511 F517 L518 S519	I511-F515 HydrophobicContact CG2-CD2 4.15Å; I511-F515 HydrophobicContact CG2-CE2 4.31Å; I511-F515 PolarHBondContact O-N 3.3Å; F515-F517 VanDerWaalsContact C-N 3.29Å; F515-L518 HydrophobicContact CD1-CD1 4.25Å; F515-L518 HydrophobicContact CE1-CD1 4.4Å; F515-L518 PolarHBondContact O-N 3.38Å; F515-S519 PolarHBondContact O-N 2.79Å; F515-S519 VanDerWaalsContact O-N 3.16Å
516	F	40.8	Very low	41.2	Very low	136 Å²	136	120.5 Å²	120.5	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-20.6	168.9	-171.6	-102.6	0	0	0	112.7	Q512 L513 Y514 S519	Q512-F516 WeakPolarHBondContact O-CB 3.37Å; Q512-F516 PolarHBondContact O-N 2.95Å; L513-F516 CarbonylContact O-C 3.44Å; Y514-F516 VanDerWaalsContact C-N 3.31Å; F516-S519 VanDerWaalsContact O-CB 3.27Å; F516-S519 WeakPolarHBondContact O-CB 3.41Å
517	F	37.7	Very low	41.9	Very low	116 Å²	116	120.7 Å²	120.7	51%	0.509	64%	0.642	S	S	.	*	H	α-helix	trans	-81	-32.6	168.8	-160.7	-95.2	0	0	0	112.2	L513 Y514 F515 S519 L520	L513-F517 PolarHBondContact O-N 3.22Å; Y514-F517 WeakPolarHBondContact O-CB 3.23Å; Y514-F517 PolarHBondContact O-N 3.1Å; Y514-F517 VanDerWaalsContact O-N 3.15Å; F515-F517 VanDerWaalsContact C-N 3.29Å; F517-S519 PolarHBondContact O-N 3.39Å; F517-L520 PolarHBondContact O-N 2.67Å
518	L	45	Very low	42.6	Very low	92 Å²	92	120.2 Å²	120.2	48%	0.482	64%	0.639	S	S	.	*	H	α-helix	trans	-68.6	-12.4	168.9	-69.2	168.4	0	0	0	112.8	Y514 F515 L520	Y514-L518 HydrophobicContact CE1-CD1 4.37Å; Y514-L518 PolarHBondContact O-N 3.39Å; Y514-L518 VanDerWaalsContact O-N 3.09Å; F515-L518 HydrophobicContact CD1-CD1 4.25Å; F515-L518 HydrophobicContact CE1-CD1 4.4Å; F515-L518 PolarHBondContact O-N 3.38Å; L518-L520 VanDerWaalsContact C-N 3.25Å; L518-L520 PolarHBondContact O-N 3.14Å
519	S	42.6	Very low	43.6	Very low	88 Å²	88	115.9 Å²	115.9	62%	0.615	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	8.7	161.4	-177.8	0	0	0	0	114.8	F515 F516 F517	F515-S519 PolarHBondContact O-N 2.79Å; F515-S519 VanDerWaalsContact O-N 3.16Å; F516-S519 VanDerWaalsContact O-CB 3.27Å; F516-S519 WeakPolarHBondContact O-CB 3.41Å; F517-S519 PolarHBondContact O-N 3.39Å
520	L	42.3	Very low	45.2	Very low	125 Å²	125	111 Å²	111	65%	0.654	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-13.5	-178.7	-87.5	155	0	0	0	117.2	F517 L518	F517-L520 PolarHBondContact O-N 2.67Å; L518-L520 VanDerWaalsContact C-N 3.25Å; L518-L520 PolarHBondContact O-N 3.14Å
521	Q	42.4	Very low	46.6	Very low	158 Å²	158	111.4 Å²	111.4	74%	0.738	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.2	-7.2	-172	-74.5	-174.7	-20.7	0	0	117.9
522	S	47.8	Very low	48	Very low	98 Å²	98	110.7 Å²	110.7	69%	0.685	61%	0.611	S	S	*	*	S	Bend	trans	-106.3	109.7	169.1	71.9	0	0	0	0	110.1
523	S	38	Very low	50	Low	93 Å²	93	105.6 Å²	105.6	65%	0.65	59%	0.587	S	S	*	*			cis	-168.1	142.5	-3.2	33.7	0	0	0	0	102.9	E525	S523-E525 PolarHBondContact O-N 2.93Å
524	G	34.8	Very low	52.1	Low	80 Å²	80	100.9 Å²	100.9	83%	0.825	56%	0.563	S	S	*	*			trans	-61.7	72.2	177.4	0	0	0	0	0	113.5	T526	G524-T526 PolarHBondContact O-N 2.93Å
525	E	38.2	Very low	54.3	Low	149 Å²	149	93.8 Å²	93.8	70%	0.696	54%	0.535	S	S	*	.			trans	-58.4	101.2	139	-77.9	-175.9	-179.6	0	0	103.2	R488 S523 A527	R488-E525 IonicContact NH2-OE1 2.64Å; S523-E525 PolarHBondContact O-N 2.93Å; E525-A527 VanDerWaalsContact C-N 3.33Å; E525-A527 PolarHBondContact O-N 3.19Å
526	T	35.6	Very low	56.2	Low	125 Å²	125	91.1 Å²	91.1	77%	0.767	52%	0.521	S	S	*	.			trans	-38.5	108.7	163.2	48.6	0	0	0	0	105	G524 S528	G524-T526 PolarHBondContact O-N 2.93Å; T526-S528 WeakPolarHBondContact O-CA 3.35Å; T526-S528 PolarHBondContact O-N 2.67Å
527	A	45.4	Very low	58.5	Low	93 Å²	93	87.3 Å²	87.3	77%	0.769	50%	0.504	S	S	*	.			trans	-48.9	105.9	173.7	0	0	0	0	0	103.4	E525 D529	E525-A527 VanDerWaalsContact C-N 3.33Å; E525-A527 PolarHBondContact O-N 3.19Å; A527-D529 PolarHBondContact O-N 3.04Å
528	S	51.6	Low	61.1	Low	51 Å²	51	82.1 Å²	82.1	36%	0.357	48%	0.483	S	S	.	.			trans	-53.1	122	-165.8	50.3	0	0	0	0	104.4	T526 E533	T526-S528 WeakPolarHBondContact O-CA 3.35Å; T526-S528 PolarHBondContact O-N 2.67Å; S528-E533 VanDerWaalsContact OG-CD 3.28Å; S528-E533 VanDerWaalsContact OG-CG 3.23Å; S528-E533 WeakPolarHBondContact OG-CG 3.4Å; S528-E533 PolarHBondContact OG-OE1 3.3Å
529	D	63.6	Low	63.3	Low	84 Å²	84	78.1 Å²	78.1	45%	0.449	46%	0.463	S	S	.	.			trans	-39.6	123.9	-170.4	170.3	5.8	0	0	0	107.8	A527 L531 H532 E533	A527-D529 PolarHBondContact O-N 3.04Å; D529-L531 CarbonylContact O-C 3.55Å; D529-L531 PolarHBondContact O-N 2.7Å; D529-L531 WeakPolarHBondContact OD1-CD1 3.45Å; D529-L531 PolarHBondContact OD1-N 3.1Å; D529-H532 HydrophobicContact CB-CB 4.13Å; D529-H532 WeakPolarHBondContact O-CA 3.22Å; D529-H532 VanDerWaalsContact O-CB 3.28Å; D529-H532 WeakPolarHBondContact O-CB 3.34Å; D529-H532 PolarHBondContact O-N 3.25Å; D529-E533 PolarHBondContact O-N 2.87Å
530	P	67.4	Low	65.6	Low	98 Å²	98	75.8 Å²	75.8	64%	0.636	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-26.3	179.8	-30	35.1	0	0	0	112.7	I534	P530-I534 WeakPolarHBondContact O-CG1 3.44Å
531	L	73.9	Confident	67.9	Low	90 Å²	90	73.2 Å²	73.2	47%	0.471	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.1	170.7	-67.8	89.8	0	0	0	113.6	D529 E533 I534 V600 R604	D529-L531 CarbonylContact O-C 3.55Å; D529-L531 PolarHBondContact O-N 2.7Å; D529-L531 WeakPolarHBondContact OD1-CD1 3.45Å; D529-L531 PolarHBondContact OD1-N 3.1Å; L531-E533 VanDerWaalsContact C-N 3.31Å; L531-E533 PolarHBondContact O-N 2.99Å; L531-I534 HydrophobicContact CB-CD1 4.42Å; L531-I534 WeakPolarHBondContact O-CB 3.34Å; L531-I534 PolarHBondContact O-N 2.95Å; L531-V600 HydrophobicContact CB-CG2 4.47Å; L531-V600 HydrophobicContact CD2-CG2 3.78Å; L531-V600 HydrophobicContact CG-CG2 4.42Å; L531-V600 WeakPolarHBondContact O-CG1 3.42Å; L531-R604 PolarHBondContact O-NH2 3.03Å
532	H	77.1	Confident	70.3	Confident	89 Å²	89	66.9 Å²	66.9	41%	0.412	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.6	176.9	-164.8	83.5	0	0	0	113	D529 I534 R536 R604	D529-H532 HydrophobicContact CB-CB 4.13Å; D529-H532 WeakPolarHBondContact O-CA 3.22Å; D529-H532 VanDerWaalsContact O-CB 3.28Å; D529-H532 WeakPolarHBondContact O-CB 3.34Å; D529-H532 PolarHBondContact O-N 3.25Å; H532-I534 VanDerWaalsContact C-N 3.35Å; H532-I534 PolarHBondContact O-N 2.85Å; H532-R536 PolarHBondContact CD2-NH1 3.35Å; H532-R536 VanDerWaalsContact CD2-NH1 3.34Å; H532-R536 PolarHBondContact NE2-NH1 2.66Å; H532-R604 VanDerWaalsContact C-NH2 3.31Å; H532-R604 VanDerWaalsContact O-CZ 3.24Å; H532-R604 PolarHBondContact O-NH1 3.42Å; H532-R604 PolarHBondContact O-NH2 3.38Å
533	E	86	Confident	72.3	Confident	41 Å²	41	62.3 Å²	62.3	19%	0.192	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.9	179	-65.3	-167	131.7	0	0	114.5	R455 S528 D529 L531 G535 R536	R455-E533 IonicContact CZ-OE1 3.31Å; R455-E533 IonicContact CZ-OE2 3.91Å; R455-E533 IonicContact NH1-OE1 3.14Å; R455-E533 IonicContact NH1-OE2 2.95Å; R455-E533 PolarHBondContact NH1-OE2 2.82Å; R455-E533 VanDerWaalsContact NH2-CD 3.25Å; R455-E533 IonicContact NH2-OE1 3.59Å; R455-E533 PolarHBondContact NH2-OE1 3.24Å; R455-E533 IonicContact NH2-OE2 2.76Å; R455-E533 PolarHBondContact NH2-OE2 2.84Å; S528-E533 VanDerWaalsContact OG-CD 3.28Å; S528-E533 VanDerWaalsContact OG-CG 3.23Å; S528-E533 WeakPolarHBondContact OG-CG 3.4Å; S528-E533 PolarHBondContact OG-OE1 3.3Å; D529-E533 PolarHBondContact O-N 2.87Å; L531-E533 VanDerWaalsContact C-N 3.31Å; L531-E533 PolarHBondContact O-N 2.99Å; E533-G535 PolarHBondContact O-N 3.48Å; E533-R536 PolarHBondContact O-N 3.32Å
534	I	90.6	Very high	74.9	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.082	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	125.7	-177.3	-67.8	172.3	0	0	0	110.1	P530 L531 H532 R536 C597 V600 L601 R604	P530-I534 WeakPolarHBondContact O-CG1 3.44Å; L531-I534 HydrophobicContact CB-CD1 4.42Å; L531-I534 WeakPolarHBondContact O-CB 3.34Å; L531-I534 PolarHBondContact O-N 2.95Å; H532-I534 VanDerWaalsContact C-N 3.35Å; H532-I534 PolarHBondContact O-N 2.85Å; I534-R536 PolarHBondContact O-N 3.41Å; I534-C597 HydrophobicContact CG2-CB 3.79Å; I534-V600 HydrophobicContact CB-CG1 4.35Å; I534-V600 HydrophobicContact CD1-CB 4.22Å; I534-V600 HydrophobicContact CD1-CG1 4.12Å; I534-V600 HydrophobicContact CD1-CG2 4.12Å; I534-L601 HydrophobicContact CG2-CD1 4.19Å; I534-L601 HydrophobicContact CG2-CD2 4.16Å; I534-L601 HydrophobicContact CG2-CG 3.99Å; I534-R604 PolarHBondContact O-NH1 2.91Å
535	G	89.4	Confident	77.5	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.021	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-10.3	178.6	0	0	0	0	0	115.9	E533 L583 E584 Y585	E533-G535 PolarHBondContact O-N 3.48Å; G535-L583 CarbonylContact O-C 3.3Å; G535-E584 WeakPolarHBondContact O-CB 3.49Å; G535-E584 PolarHBondContact O-N 3.23Å; G535-Y585 WeakPolarHBondContact O-CD1 3.15Å; G535-Y585 PolarHBondContact O-N 2.88Å
536	R	90.2	Very high	80	Confident	89 Å²	89	53.4 Å²	53.4	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-28.3	175.1	-59.7	-150.4	175.7	141.7	2.4	114.3	H532 E533 I534 E584 Y585	H532-R536 PolarHBondContact CD2-NH1 3.35Å; H532-R536 VanDerWaalsContact CD2-NH1 3.34Å; H532-R536 PolarHBondContact NE2-NH1 2.66Å; E533-R536 PolarHBondContact O-N 3.32Å; I534-R536 PolarHBondContact O-N 3.41Å; R536-E584 WeakPolarHBondContact CD-OE2 3.46Å; R536-E584 VanDerWaalsContact CG-OE2 3.23Å; R536-E584 WeakPolarHBondContact CG-OE2 3.29Å; R536-E584 IonicContact NE-OE2 3.84Å; R536-Y585 WeakPolarHBondContact O-CB 3.33Å
537	K	89.2	Confident	82.8	Confident	56 Å²	56	47.5 Å²	47.5	24%	0.243	26%	0.26	C	S	.	.	S	Bend	trans	-134.6	150.5	178.3	-62.8	-173.2	176.7	173.7	0	110.9	D438 Q457 P539 Y585	D438-K537 VanDerWaalsContact CG-NZ 3.34Å; D438-K537 IonicContact OD1-NZ 2.92Å; D438-K537 PolarHBondContact OD1-NZ 3.22Å; D438-K537 IonicContact OD2-NZ 2.63Å; D438-K537 PolarHBondContact OD2-NZ 2.87Å; Q457-K537 WeakPolarHBondContact O-CA 3.07Å; K537-P539 WeakPolarHBondContact O-CD 3.34Å; K537-Y585 WeakPolarHBondContact O-CD1 3.5Å; K537-Y585 WeakPolarHBondContact O-CE1 3.5Å
538	A	91.3	Very high	85.1	Confident	8 Å²	8	44.4 Å²	44.4	7%	0.066	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.6	119.8	175.2	0	0	0	0	0	110.9	R455 Q457 Y585	R455-A538 VanDerWaalsContact CD-O 3.26Å; R455-A538 WeakPolarHBondContact CD-O 3.5Å; R455-A538 WeakPolarHBondContact CG-O 3.42Å; Q457-A538 PolarHBondContact O-N 3.13Å; A538-Y585 HydrophobicContact CB-CD2 3.86Å; A538-Y585 HydrophobicContact CB-CE2 3.74Å; A538-Y585 HydrophobicContact CB-CG 4.45Å
539	P	92.4	Very high	87.1	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.052	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-78.4	150.2	179.9	33	-37.5	0	0	0	111.6	S460 K537 W541 R567	S460-P539 PolarHBondContact OG-O 3.39Å; K537-P539 WeakPolarHBondContact O-CD 3.34Å; P539-W541 PolarHBondContact O-N 2.69Å; P539-R567 WeakPolarHBondContact CD-O 3.36Å; P539-R567 VanDerWaalsContact CG-O 3.22Å; P539-R567 WeakPolarHBondContact CG-O 3.37Å
540	P	89.5	Confident	88.6	Confident	38 Å²	38	38.2 Å²	38.2	25%	0.247	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-62.7	129.5	167.4	28.1	-33.3	0	0	0	109.9	S460 I462	S460-P540 WeakPolarHBondContact OG-CA 3.37Å; I462-P540 HydrophobicContact CD1-CB 4.4Å; I462-P540 HydrophobicContact CG1-CB 4.27Å
541	W	92.1	Very high	89.9	Confident	71 Å²	71	34 Å²	34	27%	0.269	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-87.1	131.1	-178.6	-70.9	9.7	0	0	0	111	R398 I462 P539 P543 H565 R567	R398-W541 HydrophobicContact CG-CE3 3.97Å; R398-W541 HydrophobicContact CG-CZ3 4.49Å; I462-W541 WeakPolarHBondContact CD1-O 3.32Å; P539-W541 PolarHBondContact O-N 2.69Å; W541-P543 VanDerWaalsContact O-CD 3.28Å; W541-P543 WeakPolarHBondContact O-CD 3.46Å; W541-H565 HydrophobicContact CD2-CB 3.79Å; W541-H565 AromaticContact CD2-CG 3.89Å; W541-H565 HydrophobicContact CE3-CB 3.78Å; W541-H565 AromaticContact CE3-CG 3.57Å; W541-H565 AromaticContact CE3-ND1 3.77Å; W541-H565 HydrophobicContact CG-CB 4.24Å; W541-H565 HydrophobicContact CZ3-CB 4.17Å; W541-R567 HydrophobicContact CZ2-CG 4.32Å
542	V	91.6	Very high	90.7	Very high	25 Å²	25	30.4 Å²	30.4	15%	0.152	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.6	123.2	174.3	179.8	0	0	0	0	109.3	R546 V547 H565 G570 V572 E692	V542-R546 HydrophobicContact CG1-CB 3.97Å; V542-V547 HydrophobicContact CG1-CG2 3.49Å; V542-V547 VanDerWaalsContact CG1-CG2 3.49Å; V542-H565 PolarHBondContact O-CD2 3.43Å; V542-H565 PolarHBondContact O-NE2 3.17Å; V542-G570 PolarHBondContact N-O 3.44Å; V542-G570 VanDerWaalsContact N-O 3.09Å; V542-V572 HydrophobicContact CB-CG2 4.05Å; V542-V572 HydrophobicContact CG1-CG2 4.34Å; V542-E692 HydrophobicContact CG1-CB 3.99Å; V542-E692 HydrophobicContact CG1-CG 3.78Å
543	P	91.1	Very high	91.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.013	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-57	145.9	176.2	-27.1	35.1	0	0	0	113.6	H396 I462 W541 D545 R546	H396-P543 VanDerWaalsContact NE2-CB 3.34Å; H396-P543 WeakPolarHBondContact NE2-CB 3.38Å; I462-P543 HydrophobicContact CD1-CG 4.27Å; W541-P543 VanDerWaalsContact O-CD 3.28Å; W541-P543 WeakPolarHBondContact O-CD 3.46Å; P543-D545 VanDerWaalsContact C-N 3.25Å; P543-D545 WeakPolarHBondContact CB-OD1 3.47Å; P543-D545 PolarHBondContact O-N 3.02Å; P543-R546 HydrophobicContact CB-CG 4.22Å; P543-R546 HydrophobicContact CG-CG 4.5Å; P543-R546 WeakPolarHBondContact O-CB 3.09Å; P543-R546 PolarHBondContact O-N 3.11Å; P543-R546 VanDerWaalsContact O-N 3.07Å
544	D	92.4	Very high	91.8	Very high	29 Å²	29	27.4 Å²	27.4	16%	0.155	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29.9	-173.6	-76.6	-15.8	0	0	0	112.6	R398 R546 V547 R563 H565	R398-D544 WeakPolarHBondContact O-CB 3.38Å; R398-D544 PolarHBondContact O-N 3.42Å; D544-R546 VanDerWaalsContact C-N 3.29Å; D544-V547 PolarHBondContact O-N 2.8Å; D544-R563 PolarHBondContact O-NE 3.21Å; D544-H565 IonicContact OD1-CE1 3.87Å; D544-H565 PolarHBondContact OD1-CE1 3.24Å; D544-H565 IonicContact OD1-NE2 3.13Å
545	D	89.4	Confident	91.9	Very high	91 Å²	91	28.1 Å²	28.1	49%	0.487	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-76	-15.5	178	67.9	-53.4	0	0	0	112.9	H396 P543 V547 A690	H396-D545 IonicContact CE1-OD1 3.45Å; H396-D545 IonicContact NE2-OD1 3.34Å; H396-D545 PolarHBondContact NE2-OD1 3.18Å; H396-D545 IonicContact NE2-OD2 3.93Å; P543-D545 VanDerWaalsContact C-N 3.25Å; P543-D545 WeakPolarHBondContact CB-OD1 3.47Å; P543-D545 PolarHBondContact O-N 3.02Å; D545-V547 VanDerWaalsContact C-N 3.33Å; D545-A690 WeakPolarHBondContact O-CB 3.13Å
546	R	90.5	Very high	92.1	Very high	16 Å²	16	32.5 Å²	32.5	6%	0.06	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-83.2	-7.6	173.7	-66.7	-164.9	-180	149.3	7.4	114.3	H396 E451 V542 P543 D544 A690 S691 E692	H396-R546 PolarHBondContact CE1-NH2 3.03Å; H396-R546 PolarHBondContact ND1-NH2 2.85Å; E451-R546 IonicContact OE1-CZ 3.93Å; E451-R546 IonicContact OE1-NH1 3.81Å; E451-R546 IonicContact OE1-NH2 2.71Å; E451-R546 PolarHBondContact OE1-NH2 2.93Å; E451-R546 IonicContact OE2-CZ 3.79Å; E451-R546 IonicContact OE2-NH1 3.81Å; E451-R546 PolarHBondContact OE2-NH1 2.69Å; E451-R546 IonicContact OE2-NH2 3.34Å; E451-R546 PolarHBondContact OE2-NH2 3.27Å; V542-R546 HydrophobicContact CG1-CB 3.97Å; P543-R546 HydrophobicContact CB-CG 4.22Å; P543-R546 HydrophobicContact CG-CG 4.5Å; P543-R546 WeakPolarHBondContact O-CB 3.09Å; P543-R546 PolarHBondContact O-N 3.11Å; P543-R546 VanDerWaalsContact O-N 3.07Å; D544-R546 VanDerWaalsContact C-N 3.29Å; R546-A690 WeakPolarHBondContact O-CB 3.22Å; R546-S691 PolarHBondContact O-N 2.85Å; R546-E692 HydrophobicContact CB-CB 4.16Å; R546-E692 HydrophobicContact CB-CG 3.81Å; R546-E692 WeakPolarHBondContact O-CA 3.39Å; R546-E692 VanDerWaalsContact O-CB 3.3Å; R546-E692 WeakPolarHBondContact O-CB 3.47Å; R546-E692 PolarHBondContact O-N 3.1Å
547	V	93.4	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.			trans	-136.3	125.8	-174.3	-176	0	0	0	0	111.8	V542 D544 D545 M549 Q551 F557 R563 V572 E692	V542-V547 HydrophobicContact CG1-CG2 3.49Å; V542-V547 VanDerWaalsContact CG1-CG2 3.49Å; D544-V547 PolarHBondContact O-N 2.8Å; D545-V547 VanDerWaalsContact C-N 3.33Å; V547-M549 WeakPolarHBondContact CG1-O 3.17Å; V547-Q551 HydrophobicContact CG1-CG 3.96Å; V547-Q551 HydrophobicContact CG2-CG 4.27Å; V547-F557 HydrophobicContact CG1-CD2 4.33Å; V547-F557 HydrophobicContact CG1-CE2 3.81Å; V547-R563 PolarHBondContact O-NE 2.9Å; V547-R563 PolarHBondContact O-NH2 2.83Å; V547-V572 HydrophobicContact CB-CB 4.35Å; V547-V572 HydrophobicContact CB-CG2 4.25Å; V547-V572 HydrophobicContact CG1-CB 4.16Å; V547-V572 HydrophobicContact CG2-CB 4.34Å; V547-V572 HydrophobicContact CG2-CG2 3.94Å; V547-E692 HydrophobicContact CG2-CB 3.68Å
548	T	94.3	Very high	92.5	Very high	28 Å²	28	30 Å²	30	17%	0.172	17%	0.167	C	C	.	.	S	Bend	trans	-107.6	-10.9	172.9	78.1	0	0	0	0	113.7	F557 A690 D693	T548-F557 PolarHBondContact O-N 2.88Å; T548-A690 HydrophobicContact CG2-CB 3.88Å; T548-D693 PolarHBondContact N-OD1 2.86Å; T548-D693 PolarHBondContact OG1-OD1 3.04Å; T548-D693 PolarHBondContact OG1-OD2 2.92Å
549	M	94	Very high	92.5	Very high	5 Å²	5	36 Å²	36	3%	0.025	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-135.4	155.7	-179.7	64.6	-164.7	61	0	0	113.7	V547 Q551 S555 L556 F557 D693 V695	V547-M549 WeakPolarHBondContact CG1-O 3.17Å; M549-Q551 PolarHBondContact O-N 3.02Å; M549-Q551 VanDerWaalsContact O-N 3.15Å; M549-S555 WeakPolarHBondContact CA-O 3.47Å; M549-L556 HydrophobicContact CB-CD2 4.24Å; M549-L556 HydrophobicContact CE-CD2 4.19Å; M549-F557 WeakPolarHBondContact O-CE2 3.39Å; M549-D693 HydrophobicContact CE-CB 3.76Å; M549-D693 HydrophobicContact CG-CB 4.26Å; M549-D693 PolarHBondContact N-OD1 2.94Å; M549-D693 HydrophobicContact SD-CB 3.93Å; M549-V695 HydrophobicContact CE-CB 4.41Å; M549-V695 WeakPolarHBondContact CE-O 3.43Å; M549-V695 HydrophobicContact SD-CB 3.93Å; M549-V695 HydrophobicContact SD-CG2 4.2Å
550	C	95.3	Very high	92.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.			trans	-56	121.5	173.6	-178.8	0	0	0	0	110.4	H552 C553 S554 S555 F557 C574	C550-H552 PolarHBondContact O-N 2.9Å; C550-C553 VanDerWaalsContact CB-SG 3.56Å; C550-C553 PolarHBondContact SG-N 3.26Å; C550-C553 PolarHBondContact SG-SG 3.09Å; C550-S554 WeakPolarHBondContact O-CA 3.34Å; C550-S554 PolarHBondContact O-N 3.01Å; C550-S555 PolarHBondContact N-O 3.37Å; C550-F557 HydrophobicContact CB-CE1 4.48Å; C550-F557 HydrophobicContact CB-CZ 4.16Å; C550-C574 HydrophobicContact CB-CB 4.24Å; C550-C574 PolarHBondContact SG-N 2.96Å; C550-C574 VanDerWaalsContact SG-N 3.38Å
551	Q	94	Very high	92.8	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	1.6	179.8	-63.6	-174.3	-67.4	0	0	113.4	V547 M549 K571 V572 E692 K694	V547-Q551 HydrophobicContact CG1-CG 3.96Å; V547-Q551 HydrophobicContact CG2-CG 4.27Å; M549-Q551 PolarHBondContact O-N 3.02Å; M549-Q551 VanDerWaalsContact O-N 3.15Å; Q551-K571 HydrophobicContact CB-CB 4.37Å; Q551-K571 VanDerWaalsContact OE1-CA 3.23Å; Q551-K571 VanDerWaalsContact OE1-CB 3.31Å; Q551-V572 WeakPolarHBondContact CB-O 3.31Å; Q551-V572 PolarHBondContact N-O 3.12Å; Q551-E692 PolarHBondContact NE2-O 2.84Å; Q551-K694 WeakPolarHBondContact O-CD 3.07Å; Q551-K694 WeakPolarHBondContact O-CE 3.37Å; Q551-K694 PolarHBondContact O-NZ 2.92Å
552	H	91.9	Very high	92.9	Very high	16 Å²	16	50 Å²	50	7%	0.074	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-58.2	169.3	-173.8	-89	0	0	0	112.3	C550 I573 C577 P595 D596 R645	C550-H552 PolarHBondContact O-N 2.9Å; H552-I573 HydrophobicContact CB-CG2 4.14Å; H552-C577 HydrophobicContact CB-CB 4.21Å; H552-P595 WeakPolarHBondContact NE2-CB 3.46Å; H552-P595 WeakPolarHBondContact NE2-CG 3.28Å; H552-D596 IonicContact CD2-OD2 2.79Å; H552-R645 PolarHBondContact NE2-NH2 3.44Å
553	C	91.7	Very high	93	Very high	20 Å²	20	53.2 Å²	53.2	14%	0.135	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	5.8	-173.5	72.8	0	0	0	0	114.9	C550 S555 C577	C550-C553 VanDerWaalsContact CB-SG 3.56Å; C550-C553 PolarHBondContact SG-N 3.26Å; C550-C553 PolarHBondContact SG-SG 3.09Å; C553-S555 PolarHBondContact O-N 3.11Å; C553-S555 PolarHBondContact SG-OG 3.45Å; C553-C577 VanDerWaalsContact SG-SG 3.64Å
554	S	93.1	Very high	93.2	Very high	47 Å²	47	55.6 Å²	55.6	33%	0.329	28%	0.281	S	S	.	.			trans	57.6	6.5	179.6	-53.8	0	0	0	0	116.4	C550 L556	C550-S554 WeakPolarHBondContact O-CA 3.34Å; C550-S554 PolarHBondContact O-N 3.01Å; S554-L556 PolarHBondContact O-N 3.33Å
555	S	92.1	Very high	93.4	Very high	31 Å²	31	54.8 Å²	54.8	22%	0.217	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-67.7	130.2	176.1	-52.7	0	0	0	0	111.2	M549 C550 C553	M549-S555 WeakPolarHBondContact CA-O 3.47Å; C550-S555 PolarHBondContact N-O 3.37Å; C553-S555 PolarHBondContact O-N 3.11Å; C553-S555 PolarHBondContact SG-OG 3.45Å
556	L	93.6	Very high	93.7	Very high	94 Å²	94	50.4 Å²	50.4	49%	0.492	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-59.6	135.2	178.7	-66.7	173.1	0	0	0	112.3	M549 S554 R561	M549-L556 HydrophobicContact CB-CD2 4.24Å; M549-L556 HydrophobicContact CE-CD2 4.19Å; S554-L556 PolarHBondContact O-N 3.33Å; L556-R561 WeakPolarHBondContact O-CD 3.39Å; L556-R561 PolarHBondContact O-NH1 3.09Å
557	F	95.1	Very high	94	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.088	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.5	141.5	171.9	-68.1	-61	0	0	0	110.8	V547 T548 M549 C550 R561 R562 R563 V572 C574	V547-F557 HydrophobicContact CG1-CD2 4.33Å; V547-F557 HydrophobicContact CG1-CE2 3.81Å; T548-F557 PolarHBondContact O-N 2.88Å; M549-F557 WeakPolarHBondContact O-CE2 3.39Å; C550-F557 HydrophobicContact CB-CE1 4.48Å; C550-F557 HydrophobicContact CB-CZ 4.16Å; F557-R561 WeakPolarHBondContact CA-O 3.3Å; F557-R561 HydrophobicContact CD1-CG 4.2Å; F557-R561 WeakPolarHBondContact CD1-O 3.09Å; F557-R562 WeakPolarHBondContact CE1-O 3.43Å; F557-R563 HydrophobicContact CB-CG 4.27Å; F557-R563 HydrophobicContact CD1-CG 3.88Å; F557-R563 HydrophobicContact CD2-CG 3.6Å; F557-R563 HydrophobicContact CE1-CB 4.47Å; F557-R563 HydrophobicContact CE1-CG 4.05Å; F557-R563 HydrophobicContact CE2-CG 3.78Å; F557-R563 HydrophobicContact CG-CG 3.66Å; F557-R563 HydrophobicContact CZ-CG 4.01Å; F557-V572 HydrophobicContact CE2-CB 4.37Å; F557-V572 HydrophobicContact CE2-CG1 3.75Å; F557-V572 HydrophobicContact CZ-CB 4.46Å; F557-V572 HydrophobicContact CZ-CG1 3.7Å; F557-C574 HydrophobicContact CE1-CB 3.92Å
558	T	93.7	Very high	94	Very high	71 Å²	71	52.4 Å²	52.4	44%	0.436	26%	0.262	S	S	.	.			trans	-138.3	-179.4	179.5	67.3	0	0	0	0	109.4	I560 R561	T558-I560 PolarHBondContact O-N 2.83Å; T558-I560 PolarHBondContact OG1-N 2.76Å; T558-R561 PolarHBondContact N-O 3.14Å; T558-R561 CarbonylContact O-C 3.59Å; T558-R561 VanDerWaalsContact O-C 3.3Å; T558-R561 PolarHBondContact O-N 2.94Å; T558-R561 PolarHBondContact OG1-N 2.99Å
559	T	91.5	Very high	94	Very high	136 Å²	136	52.9 Å²	52.9	83%	0.834	27%	0.266	S	S	*	.	S	Bend	trans	-57.5	-34.4	172.6	50.2	0	0	0	0	112.2
560	I	93.2	Very high	94	Very high	156 Å²	156	52.7 Å²	52.7	80%	0.8	27%	0.265	S	S	*	.	S	Bend	trans	-85.8	-45.6	177.9	-56.8	172.7	0	0	0	111	T558 R562	T558-I560 PolarHBondContact O-N 2.83Å; T558-I560 PolarHBondContact OG1-N 2.76Å; I560-R562 PolarHBondContact O-N 2.87Å; I560-R562 VanDerWaalsContact O-N 3.16Å
561	R	94.5	Very high	94	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.306	28%	0.278	S	S	.	.	S	Bend	trans	-85.9	87.8	176.1	-170	-179.5	-66.2	102.1	-0.2	109.4	L556 F557 T558 C574	L556-R561 WeakPolarHBondContact O-CD 3.39Å; L556-R561 PolarHBondContact O-NH1 3.09Å; F557-R561 WeakPolarHBondContact CA-O 3.3Å; F557-R561 HydrophobicContact CD1-CG 4.2Å; F557-R561 WeakPolarHBondContact CD1-O 3.09Å; T558-R561 PolarHBondContact N-O 3.14Å; T558-R561 CarbonylContact O-C 3.59Å; T558-R561 VanDerWaalsContact O-C 3.3Å; T558-R561 PolarHBondContact O-N 2.94Å; T558-R561 PolarHBondContact OG1-N 2.99Å; R561-C574 HydrophobicContact CG-CB 3.84Å
562	R	94.1	Very high	94.1	Very high	174 Å²	174	55.2 Å²	55.2	66%	0.657	28%	0.276	S	S	*	.			trans	-78.8	156.2	-177.1	-56.2	-173.8	76	167.1	5	112.9	F557 I560 H564	F557-R562 WeakPolarHBondContact CE1-O 3.43Å; I560-R562 PolarHBondContact O-N 2.87Å; I560-R562 VanDerWaalsContact O-N 3.16Å; R562-H564 PolarHBondContact O-CD2 2.96Å
563	R	95	Very high	94.3	Very high	91 Å²	91	54.5 Å²	54.5	34%	0.343	27%	0.272	S	S	.	.			trans	-78.7	138.8	176.2	-69	179.9	-179.5	76.1	-1.2	111.1	D544 V547 F557 V572	D544-R563 PolarHBondContact O-NE 3.21Å; V547-R563 PolarHBondContact O-NE 2.9Å; V547-R563 PolarHBondContact O-NH2 2.83Å; F557-R563 HydrophobicContact CB-CG 4.27Å; F557-R563 HydrophobicContact CD1-CG 3.88Å; F557-R563 HydrophobicContact CD2-CG 3.6Å; F557-R563 HydrophobicContact CE1-CB 4.47Å; F557-R563 HydrophobicContact CE1-CG 4.05Å; F557-R563 HydrophobicContact CE2-CG 3.78Å; F557-R563 HydrophobicContact CG-CG 3.66Å; F557-R563 HydrophobicContact CZ-CG 4.01Å; R563-V572 HydrophobicContact CB-CG1 3.6Å; R563-V572 HydrophobicContact CG-CG1 3.76Å
564	H	95.4	Very high	94.5	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.9	172.9	-57.8	-88.7	0	0	0	109.7	R562 V572 I573 I578	R562-H564 PolarHBondContact O-CD2 2.96Å; H564-V572 CarbonylContact O-C 3.58Å; H564-V572 WeakPolarHBondContact O-CA 3.48Å; H564-I573 HydrophobicContact CB-CG1 4.4Å; H564-I573 WeakPolarHBondContact CB-O 3.18Å; H564-I573 PolarHBondContact N-O 3.1Å; H564-I573 VanDerWaalsContact O-CG1 3.3Å; H564-I573 WeakPolarHBondContact O-CG1 3.19Å; H564-I573 PolarHBondContact O-N 3.4Å; H564-I578 HydrophobicContact CB-CD1 3.85Å; H564-I578 HydrophobicContact CB-CG1 4.35Å
565	H	95.5	Very high	94.6	Very high	11 Å²	11	60 Å²	60	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.2	176.1	-62.2	83	0	0	0	111.5	W541 V542 D544 R567 K571	W541-H565 HydrophobicContact CD2-CB 3.79Å; W541-H565 AromaticContact CD2-CG 3.89Å; W541-H565 HydrophobicContact CE3-CB 3.78Å; W541-H565 AromaticContact CE3-CG 3.57Å; W541-H565 AromaticContact CE3-ND1 3.77Å; W541-H565 HydrophobicContact CG-CB 4.24Å; W541-H565 HydrophobicContact CZ3-CB 4.17Å; V542-H565 PolarHBondContact O-CD2 3.43Å; V542-H565 PolarHBondContact O-NE2 3.17Å; D544-H565 IonicContact OD1-CE1 3.87Å; D544-H565 PolarHBondContact OD1-CE1 3.24Å; D544-H565 IonicContact OD1-NE2 3.13Å; H565-R567 WeakPolarHBondContact O-CD 3.05Å; H565-R567 PolarHBondContact O-NH1 3.28Å; H565-K571 CarbonylContact C-O 3.59Å; H565-K571 WeakPolarHBondContact CA-O 3.48Å
566	C	96.5	Very high	94.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.302	C	S	.	.			trans	-68.6	125.8	164.1	177.1	0	0	0	0	109	G568 C569 G570 K571 C594	C566-G568 VanDerWaalsContact C-N 3.27Å; C566-G568 PolarHBondContact SG-N 2.94Å; C566-C569 PolarHBondContact SG-N 2.9Å; C566-C569 VanDerWaalsContact SG-N 3.41Å; C566-G570 WeakPolarHBondContact O-CA 3.44Å; C566-G570 PolarHBondContact O-N 3.48Å; C566-K571 WeakPolarHBondContact CB-O 3.48Å; C566-K571 PolarHBondContact N-O 3.05Å; C566-C594 HydrophobicContact CB-CB 3.98Å; C566-C594 PolarHBondContact SG-N 3.29Å
567	R	95.8	Very high	94.7	Very high	53 Å²	53	61.7 Å²	61.7	20%	0.2	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.2	174.9	-77.4	75.2	157	163.4	-4.9	112.7	P539 W541 H565 L583 Y585 E591 I592	P539-R567 WeakPolarHBondContact CD-O 3.36Å; P539-R567 VanDerWaalsContact CG-O 3.22Å; P539-R567 WeakPolarHBondContact CG-O 3.37Å; W541-R567 HydrophobicContact CZ2-CG 4.32Å; H565-R567 WeakPolarHBondContact O-CD 3.05Å; H565-R567 PolarHBondContact O-NH1 3.28Å; R567-L583 HydrophobicContact CB-CD1 3.41Å; R567-L583 VanDerWaalsContact CB-CD1 3.41Å; R567-Y585 WeakPolarHBondContact CB-OH 3.25Å; R567-Y585 PolarHBondContact O-OH 3.13Å; R567-E591 HydrophobicContact CB-CB 3.94Å; R567-E591 HydrophobicContact CG-CB 4Å; R567-E591 HydrophobicContact CG-CG 4.26Å; R567-E591 WeakPolarHBondContact CG-OE2 3.32Å; R567-E591 IonicContact CZ-OE2 3.85Å; R567-E591 IonicContact NE-OE2 3.99Å; R567-E591 PolarHBondContact NE-OE2 2.76Å; R567-E591 IonicContact NH2-OE2 3.92Å; R567-I592 WeakPolarHBondContact CB-O 3.17Å; R567-I592 WeakPolarHBondContact CD-O 3.46Å; R567-I592 PolarHBondContact N-O 2.93Å
568	G	94.4	Very high	94.6	Very high	5 Å²	5	61.9 Å²	61.9	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-43.6	174.1	0	0	0	0	0	114	C566	C566-G568 VanDerWaalsContact C-N 3.27Å; C566-G568 PolarHBondContact SG-N 2.94Å
569	C	93.9	Very high	94.7	Very high	38 Å²	38	58.6 Å²	58.6	26%	0.257	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-1.2	-173.9	67.2	0	0	0	0	115.6	C566 K571 C594 C597	C566-C569 PolarHBondContact SG-N 2.9Å; C566-C569 VanDerWaalsContact SG-N 3.41Å; C569-K571 PolarHBondContact O-N 3.44Å; C569-C594 VanDerWaalsContact SG-SG 3.64Å; C569-C597 VanDerWaalsContact CB-SG 3.53Å
570	G	93.9	Very high	94.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	24%	0.238	C	C	.	.			trans	78.1	-7.3	178.6	0	0	0	0	0	116.1	V542 C566	V542-G570 PolarHBondContact N-O 3.44Å; V542-G570 VanDerWaalsContact N-O 3.09Å; C566-G570 WeakPolarHBondContact O-CA 3.44Å; C566-G570 PolarHBondContact O-N 3.48Å
571	K	95.4	Very high	94.9	Very high	63 Å²	63	48.9 Å²	48.9	27%	0.274	20%	0.2	S	C	.	.			trans	-61.9	151.5	176.5	-69.8	178.5	-178.9	171.5	0	112.5	Q551 H565 C566 C569	Q551-K571 HydrophobicContact CB-CB 4.37Å; Q551-K571 VanDerWaalsContact OE1-CA 3.23Å; Q551-K571 VanDerWaalsContact OE1-CB 3.31Å; H565-K571 CarbonylContact C-O 3.59Å; H565-K571 WeakPolarHBondContact CA-O 3.48Å; C566-K571 WeakPolarHBondContact CB-O 3.48Å; C566-K571 PolarHBondContact N-O 3.05Å; C569-K571 PolarHBondContact O-N 3.44Å
572	V	95.6	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.5	-179.1	-165.6	0	0	0	0	111.2	V542 V547 Q551 F557 R563 H564	V542-V572 HydrophobicContact CB-CG2 4.05Å; V542-V572 HydrophobicContact CG1-CG2 4.34Å; V547-V572 HydrophobicContact CB-CB 4.35Å; V547-V572 HydrophobicContact CB-CG2 4.25Å; V547-V572 HydrophobicContact CG1-CB 4.16Å; V547-V572 HydrophobicContact CG2-CB 4.34Å; V547-V572 HydrophobicContact CG2-CG2 3.94Å; Q551-V572 WeakPolarHBondContact CB-O 3.31Å; Q551-V572 PolarHBondContact N-O 3.12Å; F557-V572 HydrophobicContact CE2-CB 4.37Å; F557-V572 HydrophobicContact CE2-CG1 3.75Å; F557-V572 HydrophobicContact CZ-CB 4.46Å; F557-V572 HydrophobicContact CZ-CG1 3.7Å; R563-V572 HydrophobicContact CB-CG1 3.6Å; R563-V572 HydrophobicContact CG-CG1 3.76Å; H564-V572 CarbonylContact O-C 3.58Å; H564-V572 WeakPolarHBondContact O-CA 3.48Å
573	I	96.2	Very high	94.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161.9	-176.5	59.1	174.1	0	0	0	112.1	H552 H564 C577 I578 I592 C594	H552-I573 HydrophobicContact CB-CG2 4.14Å; H564-I573 HydrophobicContact CB-CG1 4.4Å; H564-I573 WeakPolarHBondContact CB-O 3.18Å; H564-I573 PolarHBondContact N-O 3.1Å; H564-I573 VanDerWaalsContact O-CG1 3.3Å; H564-I573 WeakPolarHBondContact O-CG1 3.19Å; H564-I573 PolarHBondContact O-N 3.4Å; I573-C577 HydrophobicContact CB-CB 4.11Å; I573-I578 HydrophobicContact CD1-CG1 3.94Å; I573-I578 HydrophobicContact CG1-CG1 4.3Å; I573-I592 HydrophobicContact CD1-CG2 4.43Å; I573-C594 HydrophobicContact CD1-CB 3.92Å; I573-C594 HydrophobicContact CG2-CB 3.77Å
574	C	95.8	Very high	94.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	17%	0.165	C	C	.	.			trans	-92.2	164.7	174.4	78.9	0	0	0	0	112	C550 F557 R561 R576 C577 I578	C550-C574 HydrophobicContact CB-CB 4.24Å; C550-C574 PolarHBondContact SG-N 2.96Å; C550-C574 VanDerWaalsContact SG-N 3.38Å; F557-C574 HydrophobicContact CE1-CB 3.92Å; R561-C574 HydrophobicContact CG-CB 3.84Å; C574-R576 PolarHBondContact O-N 2.97Å; C574-C577 PolarHBondContact O-N 3.32Å; C574-I578 PolarHBondContact O-N 3.29Å
575	R	94.7	Very high	94.4	Very high	181 Å²	181	36.3 Å²	36.3	68%	0.683	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-51.2	-31.7	179.5	-167.5	176.4	-168.3	173.9	4.5	114.8	C577	R575-C577 VanDerWaalsContact C-N 3.34Å
576	R	92.9	Very high	94.2	Very high	159 Å²	159	37.2 Å²	37.2	60%	0.6	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-73.5	-25.3	179	-63.3	-175.2	-176.1	-179.1	-1.2	113.1	C574 R631 S632	C574-R576 PolarHBondContact O-N 2.97Å; R576-R631 PolarHBondContact O-N 2.83Å; R576-S632 WeakPolarHBondContact O-CB 3.26Å; R576-S632 PolarHBondContact O-N 2.87Å
577	C	94.8	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-95.1	-1.5	-179.4	-63.4	0	0	0	0	113	H552 C553 I573 C574 R575 G579 P595	H552-C577 HydrophobicContact CB-CB 4.21Å; C553-C577 VanDerWaalsContact SG-SG 3.64Å; I573-C577 HydrophobicContact CB-CB 4.11Å; C574-C577 PolarHBondContact O-N 3.32Å; R575-C577 VanDerWaalsContact C-N 3.34Å; C577-G579 PolarHBondContact O-N 2.91Å; C577-P595 HydrophobicContact CB-CG 4.34Å; C577-P595 VanDerWaalsContact O-CD 3.27Å; C577-P595 WeakPolarHBondContact O-CD 3.22Å; C577-P595 WeakPolarHBondContact O-CG 3.48Å
578	I	94.7	Very high	93.6	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.128	21%	0.213	C	C	.	.			trans	-72.8	116.7	178.4	-69.7	175.2	0	0	0	109.4	H564 I573 C574 I592 P630	H564-I578 HydrophobicContact CB-CD1 3.85Å; H564-I578 HydrophobicContact CB-CG1 4.35Å; I573-I578 HydrophobicContact CD1-CG1 3.94Å; I573-I578 HydrophobicContact CG1-CG1 4.3Å; C574-I578 PolarHBondContact O-N 3.29Å; I578-I592 HydrophobicContact CB-CG2 4.33Å; I578-I592 HydrophobicContact CD1-CD1 4.3Å; I578-I592 HydrophobicContact CD1-CG2 4.28Å; I578-I592 HydrophobicContact CG1-CG2 3.91Å; I578-I592 HydrophobicContact CG2-CB 4.24Å; I578-I592 HydrophobicContact CG2-CD1 4.35Å; I578-I592 HydrophobicContact CG2-CG1 3.82Å; I578-I592 HydrophobicContact CG2-CG2 3.76Å; I578-P630 WeakPolarHBondContact O-CA 3.06Å
579	G	94.1	Very high	93.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	174.6	153.9	0	0	0	0	0	110.6	C577 I592 V593 L628	C577-G579 PolarHBondContact O-N 2.91Å; G579-I592 WeakPolarHBondContact O-CA 3.3Å; G579-V593 PolarHBondContact N-O 2.64Å; G579-V593 PolarHBondContact O-N 2.74Å; G579-L628 CarbonylContact C-O 3.5Å; G579-L628 VanDerWaalsContact CA-O 3.25Å; G579-L628 WeakPolarHBondContact CA-O 2.97Å
580	K	95.4	Very high	93.5	Very high	88 Å²	88	48.8 Å²	48.8	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.1	168.7	-48	-167	-165.9	169.4	0	111.7	V590 E591 F598 F627 L628	K580-V590 HydrophobicContact CB-CG1 3.61Å; K580-V590 HydrophobicContact CD-CG1 4.06Å; K580-E591 CarbonylContact C-O 3.58Å; K580-E591 WeakPolarHBondContact CA-O 3.43Å; K580-E591 WeakPolarHBondContact CB-O 3.38Å; K580-F598 WeakPolarHBondContact O-CE2 3.25Å; K580-F627 WeakPolarHBondContact O-CA 2.89Å; K580-L628 HydrophobicContact CB-CB 4.08Å; K580-L628 HydrophobicContact CB-CD1 4.46Å; K580-L628 HydrophobicContact CD-CD1 3.97Å; K580-L628 HydrophobicContact CG-CB 4.33Å; K580-L628 HydrophobicContact CG-CD1 4.34Å; K580-L628 PolarHBondContact N-O 3.46Å; K580-L628 PolarHBondContact O-N 3.43Å
581	A	94.6	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.3	178.7	0	0	0	0	0	109.7	E591 V593 F598 L601 F627	A581-E591 PolarHBondContact N-O 2.84Å; A581-E591 PolarHBondContact O-N 3.5Å; A581-V593 HydrophobicContact CB-CG2 4.02Å; A581-F598 HydrophobicContact CB-CD2 4.44Å; A581-L601 HydrophobicContact CB-CB 4.33Å; A581-L601 HydrophobicContact CB-CD1 3.75Å; A581-F627 HydrophobicContact CB-CD1 3.7Å; A581-F627 HydrophobicContact CB-CE1 3.69Å
582	P	93.7	Very high	93.6	Very high	20 Å²	20	49.6 Å²	49.6	13%	0.13	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.9	170.4	28.8	-34.6	0	0	0	110.8	L588 S589 N626 F627	P582-L588 HydrophobicContact CB-CB 4.3Å; P582-L588 HydrophobicContact CB-CD2 4.49Å; P582-L588 VanDerWaalsContact CB-O 3.29Å; P582-L588 WeakPolarHBondContact CB-O 3.39Å; P582-S589 WeakPolarHBondContact CA-O 3.47Å; P582-N626 HydrophobicContact CG-CB 4.41Å; P582-F627 VanDerWaalsContact CD-CZ 3.49Å; P582-F627 HydrophobicContact CG-CD2 4.42Å; P582-F627 HydrophobicContact CG-CE1 4.23Å; P582-F627 HydrophobicContact CG-CE2 3.69Å; P582-F627 HydrophobicContact CG-CZ 3.57Å
583	L	93.5	Very high	93.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.8	176	-51.8	177.1	0	0	0	110.4	G535 R567 Y585 T586 L588 S589 E591 V593 L601	G535-L583 CarbonylContact O-C 3.3Å; R567-L583 HydrophobicContact CB-CD1 3.41Å; R567-L583 VanDerWaalsContact CB-CD1 3.41Å; L583-Y585 HydrophobicContact CB-CD1 4.2Å; L583-Y585 HydrophobicContact CB-CE1 4.03Å; L583-Y585 HydrophobicContact CD1-CE1 3.72Å; L583-Y585 HydrophobicContact CG-CE1 4.46Å; L583-Y585 PolarHBondContact O-N 2.88Å; L583-T586 PolarHBondContact O-N 3.41Å; L583-T586 PolarHBondContact O-OG1 2.62Å; L583-T586 VanDerWaalsContact O-OG1 3.12Å; L583-L588 WeakPolarHBondContact O-CA 3.22Å; L583-L588 PolarHBondContact O-N 3.16Å; L583-S589 PolarHBondContact N-O 2.76Å; L583-E591 HydrophobicContact CD1-CB 3.55Å; L583-E591 HydrophobicContact CD1-CG 4.11Å; L583-E591 HydrophobicContact CG-CB 4.01Å; L583-V593 HydrophobicContact CD2-CG1 4.06Å; L583-L601 HydrophobicContact CD2-CD1 3.43Å; L583-L601 VanDerWaalsContact CD2-CD1 3.43Å; L583-L601 HydrophobicContact CD2-CD2 4.22Å; L583-L601 HydrophobicContact CD2-CG 4.49Å
584	E	90.6	Very high	93.6	Very high	93 Å²	93	49.6 Å²	49.6	44%	0.435	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.3	-42	-177.4	-176.4	-174.6	157.2	0	0	112.2	G535 R536 T586 D587 L588	G535-E584 WeakPolarHBondContact O-CB 3.49Å; G535-E584 PolarHBondContact O-N 3.23Å; R536-E584 WeakPolarHBondContact CD-OE2 3.46Å; R536-E584 VanDerWaalsContact CG-OE2 3.23Å; R536-E584 WeakPolarHBondContact CG-OE2 3.29Å; R536-E584 IonicContact NE-OE2 3.84Å; E584-T586 PolarHBondContact O-N 2.97Å; E584-T586 VanDerWaalsContact O-N 3.14Å; E584-D587 PolarHBondContact O-N 2.75Å; E584-L588 HydrophobicContact CB-CD2 4.44Å
585	Y	90.3	Very high	93.5	Very high	21 Å²	21	49.6 Å²	49.6	8%	0.082	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69.6	-12.5	-179.4	76.6	-96.3	0	0	0	114.4	Q457 G535 R536 K537 A538 R567 L583	Q457-Y585 WeakPolarHBondContact O-CB 3.42Å; G535-Y585 WeakPolarHBondContact O-CD1 3.15Å; G535-Y585 PolarHBondContact O-N 2.88Å; R536-Y585 WeakPolarHBondContact O-CB 3.33Å; K537-Y585 WeakPolarHBondContact O-CD1 3.5Å; K537-Y585 WeakPolarHBondContact O-CE1 3.5Å; A538-Y585 HydrophobicContact CB-CD2 3.86Å; A538-Y585 HydrophobicContact CB-CE2 3.74Å; A538-Y585 HydrophobicContact CB-CG 4.45Å; R567-Y585 WeakPolarHBondContact CB-OH 3.25Å; R567-Y585 PolarHBondContact O-OH 3.13Å; L583-Y585 HydrophobicContact CB-CD1 4.2Å; L583-Y585 HydrophobicContact CB-CE1 4.03Å; L583-Y585 HydrophobicContact CD1-CE1 3.72Å; L583-Y585 HydrophobicContact CG-CE1 4.46Å; L583-Y585 PolarHBondContact O-N 2.88Å
586	T	90.7	Very high	93.5	Very high	31 Å²	31	42.9 Å²	42.9	19%	0.19	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-107.4	29.1	172.6	61.7	0	0	0	0	111.8	L583 E584 L588 S589 E591	L583-T586 PolarHBondContact O-N 3.41Å; L583-T586 PolarHBondContact O-OG1 2.62Å; L583-T586 VanDerWaalsContact O-OG1 3.12Å; E584-T586 PolarHBondContact O-N 2.97Å; E584-T586 VanDerWaalsContact O-N 3.14Å; T586-L588 PolarHBondContact O-N 3.43Å; T586-S589 WeakPolarHBondContact CB-OG 3.49Å; T586-S589 VanDerWaalsContact O-CB 3.23Å; T586-S589 WeakPolarHBondContact O-CB 3.03Å; T586-S589 PolarHBondContact O-N 3.33Å; T586-S589 PolarHBondContact O-OG 3.2Å; T586-S589 PolarHBondContact OG1-O 3.09Å; T586-S589 PolarHBondContact OG1-OG 3.08Å; T586-E591 HydrophobicContact CG2-CG 4.22Å
587	D	90.2	Very high	93.6	Very high	118 Å²	118	35.3 Å²	35.3	63%	0.631	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	41.5	179.5	-48.9	-45	0	0	0	111.6	R458 E584 S589	R458-D587 IonicContact CZ-OD1 2.76Å; R458-D587 IonicContact NH2-OD1 3.95Å; R458-D587 PolarHBondContact NH2-OD1 2.65Å; R458-D587 IonicContact NH2-OD2 3.69Å; R458-D587 PolarHBondContact NH2-OD2 2.88Å; E584-D587 PolarHBondContact O-N 2.75Å; D587-S589 PolarHBondContact O-N 2.81Å
588	L	90.1	Very high	93.5	Very high	115 Å²	115	35.7 Å²	35.7	60%	0.602	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	20.5	-177.5	-57.4	171.6	0	0	0	114.4	P582 L583 E584 T586	P582-L588 HydrophobicContact CB-CB 4.3Å; P582-L588 HydrophobicContact CB-CD2 4.49Å; P582-L588 VanDerWaalsContact CB-O 3.29Å; P582-L588 WeakPolarHBondContact CB-O 3.39Å; L583-L588 WeakPolarHBondContact O-CA 3.22Å; L583-L588 PolarHBondContact O-N 3.16Å; E584-L588 HydrophobicContact CB-CD2 4.44Å; T586-L588 PolarHBondContact O-N 3.43Å
589	S	92.4	Very high	93.4	Very high	47 Å²	47	37.7 Å²	37.7	33%	0.329	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	143.5	171.3	80.3	0	0	0	0	111.5	P582 L583 T586 D587 E591	P582-S589 WeakPolarHBondContact CA-O 3.47Å; L583-S589 PolarHBondContact N-O 2.76Å; T586-S589 WeakPolarHBondContact CB-OG 3.49Å; T586-S589 VanDerWaalsContact O-CB 3.23Å; T586-S589 WeakPolarHBondContact O-CB 3.03Å; T586-S589 PolarHBondContact O-N 3.33Å; T586-S589 PolarHBondContact O-OG 3.2Å; T586-S589 PolarHBondContact OG1-O 3.09Å; T586-S589 PolarHBondContact OG1-OG 3.08Å; D587-S589 PolarHBondContact O-N 2.81Å; S589-E591 PolarHBondContact O-N 3.46Å
590	V	94.5	Very high	93.2	Very high	58 Å²	58	39 Å²	39	35%	0.352	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	105.8	-178.5	178.1	0	0	0	0	110.5	K580 N626	K580-V590 HydrophobicContact CB-CG1 3.61Å; K580-V590 HydrophobicContact CD-CG1 4.06Å; V590-N626 WeakPolarHBondContact CG1-O 3.16Å; V590-N626 HydrophobicContact CG2-CB 3.65Å
591	E	95.8	Very high	93.1	Very high	50 Å²	50	35.3 Å²	35.3	23%	0.234	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	161.6	-174.4	-77.8	-64.7	161.4	0	0	112.8	R567 K580 A581 L583 T586 S589	R567-E591 HydrophobicContact CB-CB 3.94Å; R567-E591 HydrophobicContact CG-CB 4Å; R567-E591 HydrophobicContact CG-CG 4.26Å; R567-E591 WeakPolarHBondContact CG-OE2 3.32Å; R567-E591 IonicContact CZ-OE2 3.85Å; R567-E591 IonicContact NE-OE2 3.99Å; R567-E591 PolarHBondContact NE-OE2 2.76Å; R567-E591 IonicContact NH2-OE2 3.92Å; K580-E591 CarbonylContact C-O 3.58Å; K580-E591 WeakPolarHBondContact CA-O 3.43Å; K580-E591 WeakPolarHBondContact CB-O 3.38Å; A581-E591 PolarHBondContact N-O 2.84Å; A581-E591 PolarHBondContact O-N 3.5Å; L583-E591 HydrophobicContact CD1-CB 3.55Å; L583-E591 HydrophobicContact CD1-CG 4.11Å; L583-E591 HydrophobicContact CG-CB 4.01Å; T586-E591 HydrophobicContact CG2-CG 4.22Å; S589-E591 PolarHBondContact O-N 3.46Å
592	I	95.7	Very high	92.8	Very high	30 Å²	30	36.7 Å²	36.7	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.1	178.9	-72.5	167.3	0	0	0	111	R567 I573 I578 G579	R567-I592 WeakPolarHBondContact CB-O 3.17Å; R567-I592 WeakPolarHBondContact CD-O 3.46Å; R567-I592 PolarHBondContact N-O 2.93Å; I573-I592 HydrophobicContact CD1-CG2 4.43Å; I578-I592 HydrophobicContact CB-CG2 4.33Å; I578-I592 HydrophobicContact CD1-CD1 4.3Å; I578-I592 HydrophobicContact CD1-CG2 4.28Å; I578-I592 HydrophobicContact CG1-CG2 3.91Å; I578-I592 HydrophobicContact CG2-CB 4.24Å; I578-I592 HydrophobicContact CG2-CD1 4.35Å; I578-I592 HydrophobicContact CG2-CG1 3.82Å; I578-I592 HydrophobicContact CG2-CG2 3.76Å; G579-I592 WeakPolarHBondContact O-CA 3.3Å
593	V	96.5	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.2	177.1	-67.7	0	0	0	0	111.3	G579 A581 L583 C597 F598 L601	G579-V593 PolarHBondContact N-O 2.64Å; G579-V593 PolarHBondContact O-N 2.74Å; A581-V593 HydrophobicContact CB-CG2 4.02Å; L583-V593 HydrophobicContact CD2-CG1 4.06Å; V593-C597 HydrophobicContact CB-CB 4.01Å; V593-C597 HydrophobicContact CG1-CB 4.35Å; V593-F598 HydrophobicContact CG2-CB 3.85Å; V593-F598 HydrophobicContact CG2-CD2 4.01Å; V593-F598 HydrophobicContact CG2-CG 4.45Å; V593-L601 HydrophobicContact CG1-CD1 3.97Å
594	C	95.6	Very high	92.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.231	C	C	.	.			trans	-76	166.7	169.7	68.8	0	0	0	0	110.3	C566 C569 I573 D596 C597 F598	C566-C594 HydrophobicContact CB-CB 3.98Å; C566-C594 PolarHBondContact SG-N 3.29Å; C569-C594 VanDerWaalsContact SG-SG 3.64Å; I573-C594 HydrophobicContact CD1-CB 3.92Å; I573-C594 HydrophobicContact CG2-CB 3.77Å; C594-D596 VanDerWaalsContact C-N 3.29Å; C594-D596 PolarHBondContact O-N 3.48Å; C594-C597 PolarHBondContact O-N 2.82Å; C594-C597 VanDerWaalsContact SG-SG 3.6Å; C594-F598 WeakPolarHBondContact O-CB 3.16Å; C594-F598 PolarHBondContact O-N 3.28Å
595	P	93.9	Very high	91.7	Very high	3 Å²	3	41 Å²	41	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-38.9	-178.4	-26.3	38.9	0	0	0	112.9	H552 C577 C597 F598 D599 P630	H552-P595 WeakPolarHBondContact NE2-CB 3.46Å; H552-P595 WeakPolarHBondContact NE2-CG 3.28Å; C577-P595 HydrophobicContact CB-CG 4.34Å; C577-P595 VanDerWaalsContact O-CD 3.27Å; C577-P595 WeakPolarHBondContact O-CD 3.22Å; C577-P595 WeakPolarHBondContact O-CG 3.48Å; P595-C597 PolarHBondContact O-N 3.07Å; P595-F598 WeakPolarHBondContact O-CB 3.34Å; P595-F598 PolarHBondContact O-N 3.31Å; P595-D599 VanDerWaalsContact O-CG 3.28Å; P595-D599 PolarHBondContact O-N 2.63Å; P595-P630 HydrophobicContact CB-CG 4Å; P595-P630 HydrophobicContact CG-CB 4.05Å; P595-P630 HydrophobicContact CG-CG 3.84Å
596	D	92.9	Very high	91.2	Very high	39 Å²	39	44 Å²	44	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-53.5	-55.9	172.7	-65.5	-62.3	0	0	0	113.2	H552 C594 F598 D599 V600 R645	H552-D596 IonicContact CD2-OD2 2.79Å; C594-D596 VanDerWaalsContact C-N 3.29Å; C594-D596 PolarHBondContact O-N 3.48Å; D596-F598 VanDerWaalsContact C-N 3.29Å; D596-F598 PolarHBondContact O-N 2.95Å; D596-D599 PolarHBondContact O-N 2.62Å; D596-V600 WeakPolarHBondContact O-CG2 2.87Å; D596-V600 PolarHBondContact O-N 3.32Å; D596-V600 VanDerWaalsContact O-N 3.12Å; D596-R645 IonicContact OD1-CZ 2.86Å; D596-R645 IonicContact OD1-NH1 3.32Å; D596-R645 PolarHBondContact OD1-NH1 2.92Å; D596-R645 IonicContact OD1-NH2 2.8Å; D596-R645 PolarHBondContact OD1-NH2 2.92Å; D596-R645 IonicContact OD2-CZ 3.25Å; D596-R645 IonicContact OD2-NH2 2.63Å; D596-R645 PolarHBondContact OD2-NH2 3.14Å
597	C	94.9	Very high	90.2	Very high	1 Å²	1	46 Å²	46	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-34.1	-178.1	-66.6	0	0	0	0	111.5	I534 C569 V593 C594 P595 V600 L601	I534-C597 HydrophobicContact CG2-CB 3.79Å; C569-C597 VanDerWaalsContact CB-SG 3.53Å; V593-C597 HydrophobicContact CB-CB 4.01Å; V593-C597 HydrophobicContact CG1-CB 4.35Å; C594-C597 PolarHBondContact O-N 2.82Å; C594-C597 VanDerWaalsContact SG-SG 3.6Å; P595-C597 PolarHBondContact O-N 3.07Å; C597-V600 PolarHBondContact O-N 3.34Å; C597-L601 WeakPolarHBondContact O-CB 3.37Å; C597-L601 WeakPolarHBondContact O-CD1 3.5Å; C597-L601 WeakPolarHBondContact O-CG 3.27Å; C597-L601 PolarHBondContact O-N 3Å
598	F	94.1	Very high	88.5	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-49.3	175.1	-176.4	-92.4	0	0	0	110.7	K580 A581 V593 C594 P595 D596 V600 L601 V602 F627 L628 P629 P630	K580-F598 WeakPolarHBondContact O-CE2 3.25Å; A581-F598 HydrophobicContact CB-CD2 4.44Å; V593-F598 HydrophobicContact CG2-CB 3.85Å; V593-F598 HydrophobicContact CG2-CD2 4.01Å; V593-F598 HydrophobicContact CG2-CG 4.45Å; C594-F598 WeakPolarHBondContact O-CB 3.16Å; C594-F598 PolarHBondContact O-N 3.28Å; P595-F598 WeakPolarHBondContact O-CB 3.34Å; P595-F598 PolarHBondContact O-N 3.31Å; D596-F598 VanDerWaalsContact C-N 3.29Å; D596-F598 PolarHBondContact O-N 2.95Å; F598-V600 VanDerWaalsContact C-N 3.35Å; F598-V600 PolarHBondContact O-N 3.27Å; F598-L601 PolarHBondContact O-N 2.87Å; F598-V602 HydrophobicContact CD1-CG2 4.03Å; F598-V602 HydrophobicContact CE1-CG2 3.62Å; F598-V602 HydrophobicContact CE2-CG2 4.19Å; F598-V602 HydrophobicContact CG-CG2 4.48Å; F598-V602 HydrophobicContact CZ-CG2 3.7Å; F598-V602 WeakPolarHBondContact O-CB 3.44Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.41Å; F598-V602 PolarHBondContact O-N 2.85Å; F598-F627 HydrophobicContact CE2-CB 4.28Å; F598-F627 HydrophobicContact CE2-CD1 4.23Å; F598-F627 HydrophobicContact CZ-CB 4.43Å; F598-L628 WeakPolarHBondContact CE2-O 3.43Å; F598-P629 HydrophobicContact CE1-CB 3.98Å; F598-P629 VanDerWaalsContact CZ-CA 3.48Å; F598-P629 HydrophobicContact CZ-CB 3.86Å; F598-P630 HydrophobicContact CB-CG 4.49Å; F598-P630 HydrophobicContact CG-CG 4.48Å
599	D	91.3	Very high	86.4	Confident	67 Å²	67	47.8 Å²	47.8	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-43	179.8	-65.7	-24.2	0	0	0	111.2	P595 D596 A603	P595-D599 VanDerWaalsContact O-CG 3.28Å; P595-D599 PolarHBondContact O-N 2.63Å; D596-D599 PolarHBondContact O-N 2.62Å; D599-A603 VanDerWaalsContact O-CB 3.25Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.08Å
600	V	91.5	Very high	84.2	Confident	29 Å²	29	53.8 Å²	53.8	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-44.9	176	173.6	0	0	0	0	112.4	L531 I534 D596 C597 F598 A603 R604	L531-V600 HydrophobicContact CB-CG2 4.47Å; L531-V600 HydrophobicContact CD2-CG2 3.78Å; L531-V600 HydrophobicContact CG-CG2 4.42Å; L531-V600 WeakPolarHBondContact O-CG1 3.42Å; I534-V600 HydrophobicContact CB-CG1 4.35Å; I534-V600 HydrophobicContact CD1-CB 4.22Å; I534-V600 HydrophobicContact CD1-CG1 4.12Å; I534-V600 HydrophobicContact CD1-CG2 4.12Å; D596-V600 WeakPolarHBondContact O-CG2 2.87Å; D596-V600 PolarHBondContact O-N 3.32Å; D596-V600 VanDerWaalsContact O-N 3.12Å; C597-V600 PolarHBondContact O-N 3.34Å; F598-V600 VanDerWaalsContact C-N 3.35Å; F598-V600 PolarHBondContact O-N 3.27Å; V600-A603 PolarHBondContact O-N 3.1Å; V600-R604 WeakPolarHBondContact O-CB 3.36Å; V600-R604 PolarHBondContact O-N 3.14Å
601	L	91.7	Very high	81.9	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-38.8	-177.6	-71	165.2	0	0	0	112	I534 A581 L583 V593 C597 F598 S605 F627	I534-L601 HydrophobicContact CG2-CD1 4.19Å; I534-L601 HydrophobicContact CG2-CD2 4.16Å; I534-L601 HydrophobicContact CG2-CG 3.99Å; A581-L601 HydrophobicContact CB-CB 4.33Å; A581-L601 HydrophobicContact CB-CD1 3.75Å; L583-L601 HydrophobicContact CD2-CD1 3.43Å; L583-L601 VanDerWaalsContact CD2-CD1 3.43Å; L583-L601 HydrophobicContact CD2-CD2 4.22Å; L583-L601 HydrophobicContact CD2-CG 4.49Å; V593-L601 HydrophobicContact CG1-CD1 3.97Å; C597-L601 WeakPolarHBondContact O-CB 3.37Å; C597-L601 WeakPolarHBondContact O-CD1 3.5Å; C597-L601 WeakPolarHBondContact O-CG 3.27Å; C597-L601 PolarHBondContact O-N 3Å; F598-L601 PolarHBondContact O-N 2.87Å; L601-S605 WeakPolarHBondContact O-CB 3.35Å; L601-S605 PolarHBondContact O-N 2.88Å; L601-S605 PolarHBondContact O-OG 3.47Å; L601-F627 HydrophobicContact CB-CE1 4.31Å
602	V	88.7	Confident	79.1	Confident	29 Å²	29	58.1 Å²	58.1	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-51.6	173	169.1	0	0	0	0	109.5	F598 R604 S605 F606 L622 F627	F598-V602 HydrophobicContact CD1-CG2 4.03Å; F598-V602 HydrophobicContact CE1-CG2 3.62Å; F598-V602 HydrophobicContact CE2-CG2 4.19Å; F598-V602 HydrophobicContact CG-CG2 4.48Å; F598-V602 HydrophobicContact CZ-CG2 3.7Å; F598-V602 WeakPolarHBondContact O-CB 3.44Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.41Å; F598-V602 PolarHBondContact O-N 2.85Å; V602-R604 VanDerWaalsContact C-N 3.26Å; V602-R604 PolarHBondContact O-N 3.45Å; V602-S605 PolarHBondContact O-N 2.93Å; V602-S605 VanDerWaalsContact O-N 3.1Å; V602-F606 HydrophobicContact CB-CD2 4.44Å; V602-F606 HydrophobicContact CG1-CD2 3.74Å; V602-F606 HydrophobicContact CG1-CE2 4.09Å; V602-F606 VanDerWaalsContact O-CD2 3.23Å; V602-F606 WeakPolarHBondContact O-CD2 2.87Å; V602-F606 PolarHBondContact O-N 3.33Å; V602-L622 HydrophobicContact CG1-CD2 4.47Å; V602-F627 HydrophobicContact CG2-CD1 3.72Å; V602-F627 HydrophobicContact CG2-CE1 4.07Å
603	A	87.2	Confident	76.3	Confident	62 Å²	62	63 Å²	63	51%	0.512	37%	0.367	S	S	.	.	H	α-helix	trans	-55.6	-42.2	178.8	0	0	0	0	0	111.7	D599 V600 A607	D599-A603 VanDerWaalsContact O-CB 3.25Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.08Å; V600-A603 PolarHBondContact O-N 3.1Å; A603-A607 WeakPolarHBondContact O-CB 3.47Å; A603-A607 PolarHBondContact O-N 3.06Å
604	R	85.1	Confident	73.4	Confident	75 Å²	75	65.9 Å²	65.9	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-67.8	-38.3	177.2	-172.7	-176.5	-58.3	161.5	7.9	113.7	L531 H532 I534 V600 V602	L531-R604 PolarHBondContact O-NH2 3.03Å; H532-R604 VanDerWaalsContact C-NH2 3.31Å; H532-R604 VanDerWaalsContact O-CZ 3.24Å; H532-R604 PolarHBondContact O-NH1 3.42Å; H532-R604 PolarHBondContact O-NH2 3.38Å; I534-R604 PolarHBondContact O-NH1 2.91Å; V600-R604 WeakPolarHBondContact O-CB 3.36Å; V600-R604 PolarHBondContact O-N 3.14Å; V602-R604 VanDerWaalsContact C-N 3.26Å; V602-R604 PolarHBondContact O-N 3.45Å
605	S	81.8	Confident	70.4	Confident	68 Å²	68	76.9 Å²	76.9	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-79.2	-23	-174.4	-53.8	0	0	0	0	113	L601 V602 F627	L601-S605 WeakPolarHBondContact O-CB 3.35Å; L601-S605 PolarHBondContact O-N 2.88Å; L601-S605 PolarHBondContact O-OG 3.47Å; V602-S605 PolarHBondContact O-N 2.93Å; V602-S605 VanDerWaalsContact O-N 3.1Å; S605-F627 WeakPolarHBondContact OG-CZ 3.3Å
606	F	80.1	Confident	67.4	Low	83 Å²	83	87.2 Å²	87.2	36%	0.364	48%	0.479	S	S	.	.	S	Bend	trans	-118.7	10.3	-179.1	-56.5	-74.6	0	0	0	113.1	V602 E608 S621 L622 F627	V602-F606 HydrophobicContact CB-CD2 4.44Å; V602-F606 HydrophobicContact CG1-CD2 3.74Å; V602-F606 HydrophobicContact CG1-CE2 4.09Å; V602-F606 VanDerWaalsContact O-CD2 3.23Å; V602-F606 WeakPolarHBondContact O-CD2 2.87Å; V602-F606 PolarHBondContact O-N 3.33Å; F606-E608 PolarHBondContact O-N 3.33Å; F606-E608 VanDerWaalsContact O-N 3.14Å; F606-S621 WeakPolarHBondContact CE1-O 3.45Å; F606-L622 HydrophobicContact CE2-CD2 4.41Å; F606-F627 HydrophobicContact CE2-CD2 4.45Å; F606-F627 HydrophobicContact CE2-CE2 4.45Å; F606-F627 HydrophobicContact CZ-CD2 4.42Å; F606-F627 HydrophobicContact CZ-CE2 4.5Å
607	A	71.1	Confident	65	Low	72 Å²	72	92.8 Å²	92.8	60%	0.595	51%	0.509	S	S	*	.			trans	-67.3	109.2	165.6	0	0	0	0	0	107	A603 D609	A603-A607 WeakPolarHBondContact O-CB 3.47Å; A603-A607 PolarHBondContact O-N 3.06Å; A607-D609 PolarHBondContact O-N 2.86Å
608	E	52.7	Low	62.4	Low	128 Å²	128	95.7 Å²	95.7	60%	0.598	53%	0.529	S	S	*	.			trans	-59.6	128.4	174.7	-63.7	-169.1	150.3	0	0	108.7	F606 D610	F606-E608 PolarHBondContact O-N 3.33Å; F606-E608 VanDerWaalsContact O-N 3.14Å; E608-D610 PolarHBondContact O-N 3.47Å
609	D	46.2	Very low	59.9	Low	143 Å²	143	101.1 Å²	101.1	77%	0.765	56%	0.563	S	S	*	*			trans	-50.4	132.4	161.3	-133.5	-14.2	0	0	0	106.8	A607 S611	A607-D609 PolarHBondContact O-N 2.86Å; D609-S611 PolarHBondContact O-N 3.16Å
610	D	47.5	Very low	57.7	Low	174 Å²	174	104 Å²	104	93%	0.93	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	20.3	-167.7	-149.1	15	0	0	0	114.2	E608	E608-D610 PolarHBondContact O-N 3.47Å
611	S	45.5	Very low	55.5	Low	96 Å²	96	106.3 Å²	106.3	67%	0.671	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-2.6	-177.1	55.6	0	0	0	0	114.9	D609	D609-S611 PolarHBondContact O-N 3.16Å
612	T	37.2	Very low	53.4	Low	103 Å²	103	109.9 Å²	109.9	63%	0.632	61%	0.61	S	S	*	*			trans	-149.5	109.8	168.3	-30.8	0	0	0	0	113.5	G614	T612-G614 PolarHBondContact O-N 2.85Å
613	P	36.1	Very low	51.3	Low	131 Å²	131	115.6 Å²	115.6	85%	0.851	63%	0.633	S	S	*	*			trans	-82.1	113.2	178.7	30.8	-30.5	0	0	0	110.8
614	G	36.2	Very low	49.7	Very low	62 Å²	62	114.9 Å²	114.9	64%	0.639	62%	0.624	S	S	*	*			trans	142.1	89.5	151.2	0	0	0	0	0	117.3	T612	T612-G614 PolarHBondContact O-N 2.85Å
615	R	32.9	Very low	49	Very low	231 Å²	231	114.6 Å²	114.6	87%	0.872	64%	0.644	S	S	*	*				-166.5	94	129	-120.1	173.6	174.9	175.6	-1.4	112.5
616	Y	31.3	Very low	49	Very low	220 Å²	220	115.1 Å²	115.1	86%	0.863	64%	0.641	S	S	*	*			trans	-67.5	143.8	160.1	-102.8	-96.5	0	0	0	111
617	N	41.1	Very low	49.4	Very low	156 Å²	156	112 Å²	112	83%	0.834	63%	0.628	S	S	*	*			trans	62.1	80.3	166.8	-64.4	-22.6	0	0	0	117.4
618	S	40.7	Very low	50.4	Low	62 Å²	62	112.7 Å²	112.7	43%	0.434	62%	0.621	S	S	.	*			trans	-135.4	131.9	140.8	102.4	0	0	0	0	110.8	E620 S621	S618-E620 PolarHBondContact O-N 3.49Å; S618-E620 WeakPolarHBondContact OG-CB 3.04Å; S618-E620 PolarHBondContact OG-N 3.13Å; S618-S621 PolarHBondContact O-N 3.36Å
619	V	42.9	Very low	52.1	Low	123 Å²	123	110 Å²	110	75%	0.745	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-5.2	171.4	173.7	0	0	0	0	111.4
620	E	43.5	Very low	54.1	Low	127 Å²	127	103.8 Å²	103.8	59%	0.593	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-21.6	-178.5	-61.4	-170.5	111.3	0	0	113.8	S618 L622 K623	S618-E620 PolarHBondContact O-N 3.49Å; S618-E620 WeakPolarHBondContact OG-CB 3.04Å; S618-E620 PolarHBondContact OG-N 3.13Å; E620-L622 VanDerWaalsContact C-N 3.27Å; E620-L622 PolarHBondContact O-N 3.37Å; E620-K623 HydrophobicContact CB-CD 4.44Å; E620-K623 VanDerWaalsContact O-CB 3.22Å; E620-K623 WeakPolarHBondContact O-CB 3.47Å; E620-K623 WeakPolarHBondContact O-CG 3.43Å; E620-K623 PolarHBondContact O-N 2.74Å; E620-K623 VanDerWaalsContact O-N 3.11Å; E620-K623 IonicContact OE1-NZ 2.91Å; E620-K623 PolarHBondContact OE1-NZ 3.31Å
621	S	46.5	Very low	55.7	Low	77 Å²	77	105.6 Å²	105.6	54%	0.538	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-72.6	-20.8	174	-46.1	0	0	0	0	112.9	F606 S618 K623	F606-S621 WeakPolarHBondContact CE1-O 3.45Å; S618-S621 PolarHBondContact O-N 3.36Å; S621-K623 PolarHBondContact O-N 3.45Å
622	L	47.6	Very low	56.8	Low	85 Å²	85	102.2 Å²	102.2	45%	0.445	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-73.2	-3.6	170.3	-70.6	162.5	0	0	0	112.7	V602 F606 E620 C624	V602-L622 HydrophobicContact CG1-CD2 4.47Å; F606-L622 HydrophobicContact CE2-CD2 4.41Å; E620-L622 VanDerWaalsContact C-N 3.27Å; E620-L622 PolarHBondContact O-N 3.37Å; L622-C624 PolarHBondContact O-N 2.97Å; L622-C624 VanDerWaalsContact O-N 3.17Å
623	K	43.3	Very low	57.7	Low	149 Å²	149	105.1 Å²	105.1	65%	0.648	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-77.1	18.1	175.1	-66.2	177.5	178.2	166.2	0	113.9	E620 S621 G625	E620-K623 HydrophobicContact CB-CD 4.44Å; E620-K623 VanDerWaalsContact O-CB 3.22Å; E620-K623 WeakPolarHBondContact O-CB 3.47Å; E620-K623 WeakPolarHBondContact O-CG 3.43Å; E620-K623 PolarHBondContact O-N 2.74Å; E620-K623 VanDerWaalsContact O-N 3.11Å; E620-K623 IonicContact OE1-NZ 2.91Å; E620-K623 PolarHBondContact OE1-NZ 3.31Å; S621-K623 PolarHBondContact O-N 3.45Å; K623-G625 VanDerWaalsContact C-N 3.31Å; K623-G625 PolarHBondContact O-N 3.06Å
624	C	54	Low	58.2	Low	48 Å²	48	100.3 Å²	100.3	32%	0.324	52%	0.521	S	S	.	.			trans	-65.3	101.7	150	172.9	0	0	0	0	106.1	L622 N626 F627	L622-C624 PolarHBondContact O-N 2.97Å; L622-C624 VanDerWaalsContact O-N 3.17Å; C624-N626 PolarHBondContact O-N 3.49Å; C624-F627 HydrophobicContact CB-CD2 4.26Å; C624-F627 PolarHBondContact O-N 3.23Å; C624-F627 VanDerWaalsContact O-N 3.1Å
625	G	69.7	Low	58.9	Low	68 Å²	68	100.9 Å²	100.9	70%	0.701	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	0.2	-176	0	0	0	0	0	116	K623	K623-G625 VanDerWaalsContact C-N 3.31Å; K623-G625 PolarHBondContact O-N 3.06Å
626	N	83.2	Confident	59.3	Low	80 Å²	80	94.3 Å²	94.3	43%	0.428	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.6	-179.9	-58.8	-19.9	0	0	0	113.8	P582 V590 C624	P582-N626 HydrophobicContact CG-CB 4.41Å; V590-N626 WeakPolarHBondContact CG1-O 3.16Å; V590-N626 HydrophobicContact CG2-CB 3.65Å; C624-N626 PolarHBondContact O-N 3.49Å
627	F	88.5	Confident	59.7	Low	17 Å²	17	88 Å²	88	8%	0.075	48%	0.475	C	S	.	.			trans	-101.8	116	176	-70.4	-92.4	0	0	0	111.4	K580 A581 P582 F598 L601 V602 S605 F606 C624	K580-F627 WeakPolarHBondContact O-CA 2.89Å; A581-F627 HydrophobicContact CB-CD1 3.7Å; A581-F627 HydrophobicContact CB-CE1 3.69Å; P582-F627 VanDerWaalsContact CD-CZ 3.49Å; P582-F627 HydrophobicContact CG-CD2 4.42Å; P582-F627 HydrophobicContact CG-CE1 4.23Å; P582-F627 HydrophobicContact CG-CE2 3.69Å; P582-F627 HydrophobicContact CG-CZ 3.57Å; F598-F627 HydrophobicContact CE2-CB 4.28Å; F598-F627 HydrophobicContact CE2-CD1 4.23Å; F598-F627 HydrophobicContact CZ-CB 4.43Å; L601-F627 HydrophobicContact CB-CE1 4.31Å; V602-F627 HydrophobicContact CG2-CD1 3.72Å; V602-F627 HydrophobicContact CG2-CE1 4.07Å; S605-F627 WeakPolarHBondContact OG-CZ 3.3Å; F606-F627 HydrophobicContact CE2-CD2 4.45Å; F606-F627 HydrophobicContact CE2-CE2 4.45Å; F606-F627 HydrophobicContact CZ-CD2 4.42Å; F606-F627 HydrophobicContact CZ-CE2 4.5Å; C624-F627 HydrophobicContact CB-CD2 4.26Å; C624-F627 PolarHBondContact O-N 3.23Å; C624-F627 VanDerWaalsContact O-N 3.1Å
628	L	91.6	Very high	60.2	Low	86 Å²	86	90.6 Å²	90.6	45%	0.45	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-116.2	113.4	176	-67.2	170.5	0	0	0	110.1	G579 K580 F598	G579-L628 CarbonylContact C-O 3.5Å; G579-L628 VanDerWaalsContact CA-O 3.25Å; G579-L628 WeakPolarHBondContact CA-O 2.97Å; K580-L628 HydrophobicContact CB-CB 4.08Å; K580-L628 HydrophobicContact CB-CD1 4.46Å; K580-L628 HydrophobicContact CD-CD1 3.97Å; K580-L628 HydrophobicContact CG-CB 4.33Å; K580-L628 HydrophobicContact CG-CD1 4.34Å; K580-L628 PolarHBondContact N-O 3.46Å; K580-L628 PolarHBondContact O-N 3.43Å; F598-L628 WeakPolarHBondContact CE2-O 3.43Å
629	P	89.3	Confident	60.5	Low	73 Å²	73	92 Å²	92	47%	0.474	49%	0.492	S	S	.	.			trans	-67.9	153.2	-176.3	27.5	-34.5	0	0	0	112.3	F598	F598-P629 HydrophobicContact CE1-CB 3.98Å; F598-P629 VanDerWaalsContact CZ-CA 3.48Å; F598-P629 HydrophobicContact CZ-CB 3.86Å
630	P	87.6	Confident	60.5	Low	12 Å²	12	88.8 Å²	88.8	8%	0.078	48%	0.484	C	S	.	.			trans	-57.8	140.1	172.6	-20.4	29.4	0	0	0	113	I578 P595 F598 S632	I578-P630 WeakPolarHBondContact O-CA 3.06Å; P595-P630 HydrophobicContact CB-CG 4Å; P595-P630 HydrophobicContact CG-CB 4.05Å; P595-P630 HydrophobicContact CG-CG 3.84Å; F598-P630 HydrophobicContact CB-CG 4.49Å; F598-P630 HydrophobicContact CG-CG 4.48Å; P630-S632 PolarHBondContact O-N 3.15Å
631	R	81.6	Confident	60.1	Low	211 Å²	211	87 Å²	87	80%	0.796	48%	0.484	S	S	*	.	S	Bend	trans	-65.4	-23	178	-68.2	-174.8	179.8	-171.9	-2.7	113.8	R576	R576-R631 PolarHBondContact O-N 2.83Å
632	S	66.8	Low	59.5	Low	26 Å²	26	87 Å²	87	18%	0.182	48%	0.484	C	S	.	.			trans	-130.9	112.6	177.8	179.2	0	0	0	0	109	R576 P630 C634	R576-S632 WeakPolarHBondContact O-CB 3.26Å; R576-S632 PolarHBondContact O-N 2.87Å; P630-S632 PolarHBondContact O-N 3.15Å; S632-C634 VanDerWaalsContact C-N 3.34Å
633	R	57.2	Low	58.9	Low	163 Å²	163	90.6 Å²	90.6	62%	0.615	50%	0.498	S	S	*	.			trans	-87.1	-3.8	164.8	-93.8	-171.7	-99.8	-151.4	-1	113.1
634	C	45.9	Very low	58.4	Low	31 Å²	31	95.2 Å²	95.2	21%	0.209	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-97.7	141.3	-163.8	-61.1	0	0	0	0	114.7	S632 C642	S632-C634 VanDerWaalsContact C-N 3.34Å; C634-C642 HydrophobicContact CB-CB 3.65Å; C634-C642 WeakPolarHBondContact SG-CB 3.42Å; C634-C642 PolarHBondContact SG-SG 3.33Å
635	V	51.4	Low	57.6	Low	73 Å²	73	97 Å²	97	44%	0.442	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.3	158.5	-179.5	0	0	0	0	106.4
636	L	41.2	Very low	55.7	Low	94 Å²	94	98.2 Å²	98.2	49%	0.492	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	175.5	-73.8	119.4	0	0	0	108.8
637	D	40.7	Very low	53.3	Low	88 Å²	88	101.7 Å²	101.7	47%	0.471	53%	0.533	S	S	.	.			trans	-79.8	-179.2	161.8	76.8	-15.8	0	0	0	110.6	S639 G640 C641	D637-S639 PolarHBondContact O-N 3.09Å; D637-S639 VanDerWaalsContact O-N 3.16Å; D637-S639 WeakPolarHBondContact OD1-CA 3.17Å; D637-S639 PolarHBondContact OD1-N 3.41Å; D637-S639 PolarHBondContact OD1-OG 2.73Å; D637-S639 PolarHBondContact OD2-OG 2.82Å; D637-G640 PolarHBondContact O-N 2.97Å; D637-G640 PolarHBondContact OD1-N 3.28Å; D637-C641 PolarHBondContact OD1-N 3.27Å
638	Q	51.2	Low	50.8	Low	209 Å²	209	104 Å²	104	98%	0.977	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-3.3	178.9	-66	-179.1	11.4	0	0	113.8
639	S	46.6	Very low	47.7	Very low	92 Å²	92	105.6 Å²	105.6	64%	0.643	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-4.2	177.2	77.7	0	0	0	0	113.9	D637	D637-S639 PolarHBondContact O-N 3.09Å; D637-S639 VanDerWaalsContact O-N 3.16Å; D637-S639 WeakPolarHBondContact OD1-CA 3.17Å; D637-S639 PolarHBondContact OD1-N 3.41Å; D637-S639 PolarHBondContact OD1-OG 2.73Å; D637-S639 PolarHBondContact OD2-OG 2.82Å
640	G	43	Very low	45.3	Very low	56 Å²	56	106.7 Å²	106.7	58%	0.577	56%	0.562	S	S	*	*	S	Bend	trans	82.5	12.9	174.2	0	0	0	0	0	114.9	D637	D637-G640 PolarHBondContact O-N 2.97Å; D637-G640 PolarHBondContact OD1-N 3.28Å
641	C	35.3	Very low	42.6	Very low	88 Å²	88	113.2 Å²	113.2	60%	0.595	59%	0.591	S	S	*	*			trans	-106.4	156.2	175.1	-158.6	0	0	0	0	112.5	D637	D637-C641 PolarHBondContact OD1-N 3.27Å
642	C	33.4	Very low	40.5	Very low	79 Å²	79	107.1 Å²	107.1	53%	0.534	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	122.1	-160.2	96.5	0	0	0	0	111.8	C634	C634-C642 HydrophobicContact CB-CB 3.65Å; C634-C642 WeakPolarHBondContact SG-CB 3.42Å; C634-C642 PolarHBondContact SG-SG 3.33Å
643	Q	36.3	Very low	39.5	Very low	159 Å²	159	111 Å²	111	74%	0.743	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.1	149.6	171.5	-83.8	178.4	-11.8	0	0	112.9
644	R	30.9	Very low	38.6	Very low	246 Å²	246	109.5 Å²	109.5	93%	0.928	60%	0.603	S	S	*	*			trans	-69.1	140.3	-177.4	-66.7	-178.9	-145.3	-167.2	6.2	110.3	A646	R644-A646 PolarHBondContact O-N 2.92Å
645	R	37.7	Very low	38.3	Very low	85 Å²	85	111.6 Å²	111.6	32%	0.321	63%	0.63	S	S	.	*			trans	-42.9	123.7	180	-168.3	175.8	-128.6	-173.7	-9.7	114.4	H552 D596	H552-R645 PolarHBondContact NE2-NH2 3.44Å; D596-R645 IonicContact OD1-CZ 2.86Å; D596-R645 IonicContact OD1-NH1 3.32Å; D596-R645 PolarHBondContact OD1-NH1 2.92Å; D596-R645 IonicContact OD1-NH2 2.8Å; D596-R645 PolarHBondContact OD1-NH2 2.92Å; D596-R645 IonicContact OD2-CZ 3.25Å; D596-R645 IonicContact OD2-NH2 2.63Å; D596-R645 PolarHBondContact OD2-NH2 3.14Å
646	A	30.6	Very low	38.4	Very low	95 Å²	95	110.4 Å²	110.4	79%	0.785	63%	0.633	S	S	*	*			trans	-75.9	131.3	144.2	0	0	0	0	0	107.2	R644 S648	R644-A646 PolarHBondContact O-N 2.92Å; A646-S648 PolarHBondContact O-N 2.85Å
647	L	31.8	Very low	40.1	Very low	153 Å²	153	108.2 Å²	108.2	80%	0.801	63%	0.625	S	S	*	*			trans	-46.1	138.2	-179.2	-72.7	153.9	0	0	0	110.8	N649	L647-N649 PolarHBondContact O-N 3.2Å
648	S	35.9	Very low	42.2	Very low	66 Å²	66	106.6 Å²	106.6	46%	0.462	62%	0.62	S	S	.	*			trans	-57.9	96.5	175.2	46.9	0	0	0	0	109.9	A646 D650	A646-S648 PolarHBondContact O-N 2.85Å; S648-D650 PolarHBondContact O-N 2.62Å
649	N	27.6	Very low	44	Very low	118 Å²	118	100 Å²	100	63%	0.631	59%	0.591	S	S	*	*			trans	-67.4	80.1	155.8	-87	-0	0	0	0	107.1	L647 Q651 A652	L647-N649 PolarHBondContact O-N 3.2Å; N649-Q651 PolarHBondContact O-N 3.19Å; N649-Q651 VanDerWaalsContact O-N 3.13Å; N649-A652 HydrophobicContact CB-CB 4.42Å; N649-A652 WeakPolarHBondContact O-CB 3.2Å; N649-A652 PolarHBondContact O-N 2.73Å
650	D	39.2	Very low	46	Very low	97 Å²	97	98.7 Å²	98.7	52%	0.519	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-57.4	-15.9	159.8	-84.5	-21.7	0	0	0	110	S648 A652 K653	S648-D650 PolarHBondContact O-N 2.62Å; D650-A652 VanDerWaalsContact C-N 3.28Å; D650-A652 PolarHBondContact O-N 2.92Å; D650-K653 PolarHBondContact O-N 3.36Å
651	Q	30.8	Very low	48.2	Very low	149 Å²	149	98.9 Å²	98.9	70%	0.696	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-65.7	-18.6	167.8	-71.2	-174.9	-12.5	0	0	115	N649 K653 L654 G655	N649-Q651 PolarHBondContact O-N 3.19Å; N649-Q651 VanDerWaalsContact O-N 3.13Å; Q651-K653 PolarHBondContact O-N 3.26Å; Q651-L654 PolarHBondContact O-N 3.48Å; Q651-G655 PolarHBondContact O-N 2.98Å
652	A	37.6	Very low	50.8	Low	83 Å²	83	95.2 Å²	95.2	69%	0.686	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.1	175.6	0	0	0	0	0	112.5	N649 D650 L654	N649-A652 HydrophobicContact CB-CB 4.42Å; N649-A652 WeakPolarHBondContact O-CB 3.2Å; N649-A652 PolarHBondContact O-N 2.73Å; D650-A652 VanDerWaalsContact C-N 3.28Å; D650-A652 PolarHBondContact O-N 2.92Å; A652-L654 PolarHBondContact O-N 2.88Å
653	K	45.5	Very low	53.6	Low	106 Å²	106	93.7 Å²	93.7	46%	0.461	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-71.9	-12.3	168.8	-91	-171.8	174.9	-173.1	0	113.6	D650 Q651 D693	D650-K653 PolarHBondContact O-N 3.36Å; Q651-K653 PolarHBondContact O-N 3.26Å; K653-D693 PolarHBondContact NZ-O 3.21Å
654	L	37.9	Very low	56.3	Low	133 Å²	133	86.3 Å²	86.3	70%	0.696	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-6.5	-175.1	-89.8	95.1	0	0	0	115.3	Q651 A652 G656	Q651-L654 PolarHBondContact O-N 3.48Å; A652-L654 PolarHBondContact O-N 2.88Å; L654-G656 VanDerWaalsContact C-N 3.34Å; L654-G656 PolarHBondContact O-N 3.15Å
655	G	39.6	Very low	59.4	Low	74 Å²	74	78.3 Å²	78.3	76%	0.763	45%	0.454	S	S	*	.	S	Bend	trans	-66.6	-32.2	-179.2	0	0	0	0	0	114.1	Q651	Q651-G655 PolarHBondContact O-N 2.98Å
656	G	54.2	Low	62	Low	49 Å²	49	74.2 Å²	74.2	51%	0.505	44%	0.439	S	S	.	.	S	Bend	trans	-90.6	116.8	169.7	0	0	0	0	0	109.5	L654 C658	L654-G656 VanDerWaalsContact C-N 3.34Å; L654-G656 PolarHBondContact O-N 3.15Å; G656-C658 PolarHBondContact O-N 3.19Å
657	S	76.4	Confident	64.9	Low	48 Å²	48	72.6 Å²	72.6	34%	0.336	42%	0.415	S	S	.	.			trans	-57.5	108.7	170.7	179.8	0	0	0	0	108.6	I659 R681	S657-I659 PolarHBondContact O-N 3.38Å; S657-R681 WeakPolarHBondContact O-CG 3.34Å; S657-R681 PolarHBondContact O-N 3.32Å; S657-R681 VanDerWaalsContact O-N 3.15Å; S657-R681 PolarHBondContact OG-NE 2.97Å; S657-R681 PolarHBondContact OG-NH2 3.25Å; S657-R681 VanDerWaalsContact OG-NH2 3.15Å
658	C	84.9	Confident	67.3	Low	53 Å²	53	69.2 Å²	69.2	36%	0.358	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.5	175.3	-177.1	0	0	0	0	109	G656 K660 L679	G656-C658 PolarHBondContact O-N 3.19Å; C658-K660 VanDerWaalsContact SG-C 3.54Å; C658-K660 PolarHBondContact SG-O 2.98Å; C658-K660 VanDerWaalsContact SG-O 3.32Å; C658-L679 CarbonylContact C-O 3.53Å; C658-L679 WeakPolarHBondContact CA-O 3.45Å; C658-L679 PolarHBondContact SG-O 3.45Å; C658-L679 VanDerWaalsContact SG-O 3.41Å
659	I	88	Confident	69.3	Low	72 Å²	72	75.8 Å²	75.8	37%	0.369	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-42.6	175.5	-65.1	177.1	0	0	0	110	S657 L679 R681 T758	S657-I659 PolarHBondContact O-N 3.38Å; I659-L679 HydrophobicContact CB-CD2 4.18Å; I659-L679 HydrophobicContact CB-CG 4.15Å; I659-L679 HydrophobicContact CG2-CD2 4.1Å; I659-L679 PolarHBondContact N-O 3.28Å; I659-R681 HydrophobicContact CD1-CB 4.37Å; I659-R681 HydrophobicContact CD1-CG 3.86Å; I659-R681 HydrophobicContact CG1-CB 4.47Å; I659-R681 HydrophobicContact CG1-CG 3.64Å; I659-T758 HydrophobicContact CD1-CG2 3.68Å; I659-T758 WeakPolarHBondContact CD1-OG1 3.09Å
660	K	90.2	Very high	71.9	Confident	63 Å²	63	81.3 Å²	81.3	27%	0.274	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	138.6	-178.1	-168.2	175.1	-178.2	71.6	0	110.6	C658 L679 G750 W751 A754	C658-K660 VanDerWaalsContact SG-C 3.54Å; C658-K660 PolarHBondContact SG-O 2.98Å; C658-K660 VanDerWaalsContact SG-O 3.32Å; K660-L679 HydrophobicContact CB-CB 4.31Å; K660-L679 HydrophobicContact CB-CD2 4.3Å; K660-L679 WeakPolarHBondContact O-CB 3.34Å; K660-L679 PolarHBondContact O-N 2.79Å; K660-G750 WeakPolarHBondContact CD-O 3.34Å; K660-G750 WeakPolarHBondContact CE-O 3.49Å; K660-W751 HydrophobicContact CB-CH2 4.48Å; K660-W751 HydrophobicContact CB-CZ3 4.36Å; K660-W751 HydrophobicContact CD-CD2 3.66Å; K660-W751 HydrophobicContact CD-CE3 3.86Å; K660-W751 HydrophobicContact CD-CG 4Å; K660-W751 HydrophobicContact CD-CZ2 4.44Å; K660-W751 HydrophobicContact CD-CZ3 4.34Å; K660-W751 HydrophobicContact CG-CD2 4.28Å; K660-W751 HydrophobicContact CG-CE3 4.34Å; K660-W751 HydrophobicContact CG-CH2 4.25Å; K660-W751 HydrophobicContact CG-CZ2 4.19Å; K660-W751 HydrophobicContact CG-CZ3 4.33Å; K660-A754 HydrophobicContact CB-CB 4.28Å; K660-A754 HydrophobicContact CD-CB 3.7Å
661	K	89.4	Confident	74.3	Confident	60 Å²	60	81.8 Å²	81.8	26%	0.261	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154	173.2	58.2	-169.7	-175	-173.7	0	110.9	D446 W676 C677 L678	D446-K661 HydrophobicContact CB-CD 4.35Å; D446-K661 HydrophobicContact CB-CG 3.93Å; D446-K661 WeakPolarHBondContact OD1-CE 3.23Å; D446-K661 IonicContact OD1-NZ 2.96Å; D446-K661 PolarHBondContact OD1-NZ 3.19Å; D446-K661 WeakPolarHBondContact OD2-CE 3.3Å; D446-K661 WeakPolarHBondContact OD2-CG 3.42Å; K661-W676 HydrophobicContact CB-CH2 4.24Å; K661-W676 HydrophobicContact CB-CZ2 3.77Å; K661-W676 HydrophobicContact CD-CZ2 4.17Å; K661-W676 HydrophobicContact CG-CH2 4.28Å; K661-W676 HydrophobicContact CG-CZ2 3.96Å; K661-C677 VanDerWaalsContact CA-O 3.26Å; K661-C677 WeakPolarHBondContact CA-O 3.19Å; K661-L678 HydrophobicContact CB-CD2 3.37Å; K661-L678 HydrophobicContact CD-CD2 4.19Å; K661-L678 HydrophobicContact CG-CD2 4.38Å
662	G	89.9	Confident	77.2	Confident	12 Å²	12	78.2 Å²	78.2	12%	0.124	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	168.7	-173.3	0	0	0	0	0	113.4	W676 C677	G662-W676 VanDerWaalsContact C-CE3 3.43Å; G662-W676 VanDerWaalsContact C-CZ3 3.43Å; G662-C677 PolarHBondContact N-O 2.85Å; G662-C677 VanDerWaalsContact N-O 3.09Å; G662-C677 PolarHBondContact O-N 2.93Å
663	Y	91.1	Very high	79.8	Confident	47 Å²	47	79.6 Å²	79.6	18%	0.184	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.2	172.4	-75.7	-77.4	0	0	0	111.5	A447 K674 H675 W676	A447-Y663 HydrophobicContact CB-CE2 4.02Å; Y663-K674 VanDerWaalsContact CB-CE 3.48Å; Y663-K674 HydrophobicContact CD1-CD 4.03Å; Y663-K674 VanDerWaalsContact CD1-CE 3.44Å; Y663-K674 HydrophobicContact CD1-CG 3.8Å; Y663-K674 HydrophobicContact CG-CD 4.39Å; Y663-K674 HydrophobicContact CG-CG 4.36Å; Y663-H675 VanDerWaalsContact CA-O 3.3Å; Y663-H675 WeakPolarHBondContact CA-O 3.46Å; Y663-H675 WeakPolarHBondContact CD1-O 3.4Å; Y663-W676 HydrophobicContact CD1-CB 4.22Å; Y663-W676 HydrophobicContact CD1-CE3 4.14Å; Y663-W676 AromaticContact CD2-CE3 3.68Å; Y663-W676 HydrophobicContact CD2-CE3 3.68Å; Y663-W676 AromaticContact CD2-CZ3 3.9Å; Y663-W676 HydrophobicContact CD2-CZ3 3.9Å; Y663-W676 HydrophobicContact CE1-CB 3.98Å; Y663-W676 HydrophobicContact CE1-CE3 4.22Å; Y663-W676 AromaticContact CE2-CE3 3.73Å; Y663-W676 HydrophobicContact CE2-CE3 3.73Å; Y663-W676 HydrophobicContact CE2-CZ3 4.06Å; Y663-W676 AromaticContact CG-CE3 3.9Å; Y663-W676 HydrophobicContact CG-CE3 3.9Å; Y663-W676 HydrophobicContact CG-CZ3 4.44Å
664	L	93.6	Very high	82.1	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.016	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.4	169.7	-73.1	173.2	0	0	0	110.2	K674 H675 C677 L740 A742 W751	L664-K674 CarbonylContact O-C 3.53Å; L664-K674 WeakPolarHBondContact O-CA 3.47Å; L664-H675 PolarHBondContact N-O 3.15Å; L664-H675 PolarHBondContact O-N 3.43Å; L664-C677 HydrophobicContact CD1-CB 3.97Å; L664-C677 HydrophobicContact CG-CB 4.41Å; L664-L740 HydrophobicContact CD1-CD1 4.35Å; L664-A742 HydrophobicContact CD2-CB 4.28Å; L664-W751 HydrophobicContact CD1-CD2 3.76Å; L664-W751 HydrophobicContact CD1-CE3 3.8Å; L664-W751 HydrophobicContact CD1-CG 4.33Å; L664-W751 HydrophobicContact CD1-CH2 4.1Å; L664-W751 HydrophobicContact CD1-CZ2 4.04Å; L664-W751 HydrophobicContact CD1-CZ3 3.97Å; L664-W751 HydrophobicContact CD2-CB 4.38Å; L664-W751 HydrophobicContact CD2-CD2 3.99Å; L664-W751 HydrophobicContact CD2-CG 3.76Å; L664-W751 HydrophobicContact CG-CD2 4.05Å; L664-W751 HydrophobicContact CG-CG 4.36Å; L664-W751 HydrophobicContact CG-CZ2 4.07Å
665	W	94.6	Very high	84.7	Confident	78 Å²	78	72.9 Å²	72.9	30%	0.295	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119	169.1	-60.1	85.6	0	0	0	108.1	W672 K674 L740 K741 N743	W665-W672 HydrophobicContact CB-CB 4.45Å; W665-W672 HydrophobicContact CB-CD2 4.49Å; W665-W672 HydrophobicContact CB-CE3 3.71Å; W665-W672 HydrophobicContact CB-CZ3 4.39Å; W665-W672 HydrophobicContact CE3-CB 3.95Å; W665-W672 WeakPolarHBondContact O-CZ3 3.44Å; W665-K674 HydrophobicContact CD2-CB 4.05Å; W665-K674 HydrophobicContact CD2-CG 4.3Å; W665-K674 HydrophobicContact CE3-CB 3.84Å; W665-K674 HydrophobicContact CH2-CB 4.15Å; W665-K674 HydrophobicContact CH2-CD 4.24Å; W665-K674 HydrophobicContact CZ2-CB 4.33Å; W665-K674 HydrophobicContact CZ2-CD 3.91Å; W665-K674 HydrophobicContact CZ2-CG 4.29Å; W665-K674 HydrophobicContact CZ3-CB 3.9Å; W665-L740 CarbonylContact O-C 3.52Å; W665-L740 VanDerWaalsContact O-CA 3.29Å; W665-L740 WeakPolarHBondContact O-CA 3.43Å; W665-K741 HydrophobicContact CB-CG 3.69Å; W665-K741 HydrophobicContact CG-CG 4.23Å; W665-K741 PolarHBondContact N-O 3.28Å; W665-K741 PolarHBondContact O-N 3.49Å; W665-N743 PolarHBondContact NE1-OD1 3.37Å
666	L	93.5	Very high	87.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	172.9	171.4	63.7	0	0	0	109.1	K668 K673 M698 L738 L740	L666-K668 HydrophobicContact CD2-CG 4.32Å; L666-K668 HydrophobicContact CG-CG 4.27Å; L666-K668 PolarHBondContact O-N 2.83Å; L666-K673 PolarHBondContact N-O 3.3Å; L666-K673 PolarHBondContact O-N 3.42Å; L666-M698 HydrophobicContact CD2-CE 3.6Å; L666-L738 HydrophobicContact CD1-CB 4.13Å; L666-L738 HydrophobicContact CD1-CD2 3.69Å; L666-L740 HydrophobicContact CB-CD2 3.94Å; L666-L740 HydrophobicContact CD1-CD2 3.64Å; L666-L740 HydrophobicContact CG-CD2 4.36Å
667	Q	91.2	Very high	89.2	Confident	61 Å²	61	67.4 Å²	67.4	29%	0.285	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.2	172.4	-160.6	171	6.1	0	0	109.8	D671 W672 L739	Q667-D671 CarbonylContact C-O 3.55Å; Q667-D671 WeakPolarHBondContact CA-O 3.41Å; Q667-W672 HydrophobicContact CB-CD2 4.14Å; Q667-W672 HydrophobicContact CB-CE3 3.9Å; Q667-W672 HydrophobicContact CB-CH2 4.03Å; Q667-W672 HydrophobicContact CB-CZ2 4.23Å; Q667-W672 HydrophobicContact CB-CZ3 3.84Å; Q667-W672 HydrophobicContact CG-CD2 4.32Å; Q667-W672 HydrophobicContact CG-CZ2 4.31Å; Q667-L739 HydrophobicContact CB-CB 3.89Å; Q667-L739 PolarHBondContact N-O 3.38Å
668	K	81.4	Confident	89.9	Confident	81 Å²	81	66.7 Å²	66.7	35%	0.352	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.8	170	-67.6	-159.9	178.7	-171.8	0	108.2	L666 R670 D671 K673	L666-K668 HydrophobicContact CD2-CG 4.32Å; L666-K668 HydrophobicContact CG-CG 4.27Å; L666-K668 PolarHBondContact O-N 2.83Å; K668-R670 PolarHBondContact O-N 2.95Å; K668-D671 PolarHBondContact N-O 2.97Å; K668-D671 PolarHBondContact O-N 3.21Å; K668-D671 VanDerWaalsContact O-N 3.1Å; K668-K673 HydrophobicContact CD-CD 4.27Å
669	K	79.4	Confident	90.3	Very high	205 Å²	205	64.1 Å²	64.1	89%	0.891	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-116.2	-172.9	-55.4	-178.8	177.7	-175.6	0	110.1
670	R	81.9	Confident	90.4	Very high	233 Å²	233	61.3 Å²	61.3	88%	0.879	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.7	179	-66.3	-173.3	177	178.1	-1	114	K668	K668-R670 PolarHBondContact O-N 2.95Å
671	D	88.5	Confident	90.3	Very high	108 Å²	108	65.7 Å²	65.7	58%	0.578	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.7	-174.4	-59.9	-37.3	0	0	0	112.5	Q667 K668	Q667-D671 CarbonylContact C-O 3.55Å; Q667-D671 WeakPolarHBondContact CA-O 3.41Å; K668-D671 PolarHBondContact N-O 2.97Å; K668-D671 PolarHBondContact O-N 3.21Å; K668-D671 VanDerWaalsContact O-N 3.1Å
672	W	93	Very high	90.2	Very high	74 Å²	74	67.3 Å²	67.3	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.9	171.9	-68.7	92.6	0	0	0	110.6	W665 Q667 V719 L739 K741	W665-W672 HydrophobicContact CB-CB 4.45Å; W665-W672 HydrophobicContact CB-CD2 4.49Å; W665-W672 HydrophobicContact CB-CE3 3.71Å; W665-W672 HydrophobicContact CB-CZ3 4.39Å; W665-W672 HydrophobicContact CE3-CB 3.95Å; W665-W672 WeakPolarHBondContact O-CZ3 3.44Å; Q667-W672 HydrophobicContact CB-CD2 4.14Å; Q667-W672 HydrophobicContact CB-CE3 3.9Å; Q667-W672 HydrophobicContact CB-CH2 4.03Å; Q667-W672 HydrophobicContact CB-CZ2 4.23Å; Q667-W672 HydrophobicContact CB-CZ3 3.84Å; Q667-W672 HydrophobicContact CG-CD2 4.32Å; Q667-W672 HydrophobicContact CG-CZ2 4.31Å; W672-V719 HydrophobicContact CH2-CG1 4.23Å; W672-V719 HydrophobicContact CH2-CG2 4.04Å; W672-V719 HydrophobicContact CZ2-CG2 4.47Å; W672-L739 HydrophobicContact CH2-CB 4.27Å; W672-L739 WeakPolarHBondContact CZ3-O 3.39Å; W672-K741 HydrophobicContact CD2-CD 4.23Å; W672-K741 HydrophobicContact CE3-CD 4.11Å; W672-K741 HydrophobicContact CE3-CG 3.9Å; W672-K741 HydrophobicContact CH2-CB 4.39Å; W672-K741 HydrophobicContact CH2-CD 3.96Å; W672-K741 HydrophobicContact CH2-CG 3.99Å; W672-K741 HydrophobicContact CZ2-CD 4.09Å; W672-K741 HydrophobicContact CZ3-CB 4.23Å; W672-K741 HydrophobicContact CZ3-CD 3.97Å; W672-K741 HydrophobicContact CZ3-CG 3.61Å
673	K	92.3	Very high	90.1	Very high	111 Å²	111	66.7 Å²	66.7	48%	0.483	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.6	175.9	-67.1	-165.4	-178.1	-176.4	0	111	L666 K668 H675	L666-K673 PolarHBondContact N-O 3.3Å; L666-K673 PolarHBondContact O-N 3.42Å; K668-K673 HydrophobicContact CD-CD 4.27Å; K673-H675 PolarHBondContact O-ND1 2.98Å
674	K	92.6	Very high	90.1	Very high	89 Å²	89	65.4 Å²	65.4	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.8	176.6	-163.7	179.2	-176.6	-173.7	0	110.8	Y663 L664 W665	Y663-K674 VanDerWaalsContact CB-CE 3.48Å; Y663-K674 HydrophobicContact CD1-CD 4.03Å; Y663-K674 VanDerWaalsContact CD1-CE 3.44Å; Y663-K674 HydrophobicContact CD1-CG 3.8Å; Y663-K674 HydrophobicContact CG-CD 4.39Å; Y663-K674 HydrophobicContact CG-CG 4.36Å; L664-K674 CarbonylContact O-C 3.53Å; L664-K674 WeakPolarHBondContact O-CA 3.47Å; W665-K674 HydrophobicContact CD2-CB 4.05Å; W665-K674 HydrophobicContact CD2-CG 4.3Å; W665-K674 HydrophobicContact CE3-CB 3.84Å; W665-K674 HydrophobicContact CH2-CB 4.15Å; W665-K674 HydrophobicContact CH2-CD 4.24Å; W665-K674 HydrophobicContact CZ2-CB 4.33Å; W665-K674 HydrophobicContact CZ2-CD 3.91Å; W665-K674 HydrophobicContact CZ2-CG 4.29Å; W665-K674 HydrophobicContact CZ3-CB 3.9Å
675	H	93.6	Very high	90.1	Very high	9 Å²	9	65.2 Å²	65.2	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.8	175.7	-66.4	82.7	0	0	0	109.2	Y663 L664 K673 F687 Y688	Y663-H675 VanDerWaalsContact CA-O 3.3Å; Y663-H675 WeakPolarHBondContact CA-O 3.46Å; Y663-H675 WeakPolarHBondContact CD1-O 3.4Å; L664-H675 PolarHBondContact N-O 3.15Å; L664-H675 PolarHBondContact O-N 3.43Å; K673-H675 PolarHBondContact O-ND1 2.98Å; H675-F687 HydrophobicContact CB-CB 4.36Å; H675-F687 HydrophobicContact CB-CD1 3.95Å; H675-Y688 WeakPolarHBondContact CA-O 3.47Å; H675-Y688 WeakPolarHBondContact CB-O 3.4Å
676	W	93.3	Very high	90	Very high	9 Å²	9	64.6 Å²	64.6	3%	0.034	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.6	166.6	175.4	-104.4	0	0	0	108.2	N445 D446 A447 K661 G662 Y663 L678 Y688	N445-W676 WeakPolarHBondContact OD1-CZ2 3.15Å; D446-W676 HydrophobicContact CB-CH2 4.27Å; A447-W676 HydrophobicContact CB-CE3 4.04Å; A447-W676 HydrophobicContact CB-CH2 3.59Å; A447-W676 HydrophobicContact CB-CZ2 4.34Å; A447-W676 HydrophobicContact CB-CZ3 3.4Å; A447-W676 VanDerWaalsContact N-CH2 3.34Å; K661-W676 HydrophobicContact CB-CH2 4.24Å; K661-W676 HydrophobicContact CB-CZ2 3.77Å; K661-W676 HydrophobicContact CD-CZ2 4.17Å; K661-W676 HydrophobicContact CG-CH2 4.28Å; K661-W676 HydrophobicContact CG-CZ2 3.96Å; G662-W676 VanDerWaalsContact C-CE3 3.43Å; G662-W676 VanDerWaalsContact C-CZ3 3.43Å; Y663-W676 HydrophobicContact CD1-CB 4.22Å; Y663-W676 HydrophobicContact CD1-CE3 4.14Å; Y663-W676 AromaticContact CD2-CE3 3.68Å; Y663-W676 HydrophobicContact CD2-CE3 3.68Å; Y663-W676 AromaticContact CD2-CZ3 3.9Å; Y663-W676 HydrophobicContact CD2-CZ3 3.9Å; Y663-W676 HydrophobicContact CE1-CB 3.98Å; Y663-W676 HydrophobicContact CE1-CE3 4.22Å; Y663-W676 AromaticContact CE2-CE3 3.73Å; Y663-W676 HydrophobicContact CE2-CE3 3.73Å; Y663-W676 HydrophobicContact CE2-CZ3 4.06Å; Y663-W676 AromaticContact CG-CE3 3.9Å; Y663-W676 HydrophobicContact CG-CE3 3.9Å; Y663-W676 HydrophobicContact CG-CZ3 4.44Å; W676-L678 HydrophobicContact CZ2-CD2 4.36Å; W676-Y688 PolarHBondContact N-O 3.08Å; W676-Y688 WeakPolarHBondContact O-CA 3.23Å; W676-Y688 WeakPolarHBondContact O-CB 3.38Å; W676-Y688 PolarHBondContact O-N 2.74Å
677	C	93.6	Very high	90	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.5	-172.6	-61.4	0	0	0	0	111.2	K661 G662 L664 I685 E686 F687 W751	K661-C677 VanDerWaalsContact CA-O 3.26Å; K661-C677 WeakPolarHBondContact CA-O 3.19Å; G662-C677 PolarHBondContact N-O 2.85Å; G662-C677 VanDerWaalsContact N-O 3.09Å; G662-C677 PolarHBondContact O-N 2.93Å; L664-C677 HydrophobicContact CD1-CB 3.97Å; L664-C677 HydrophobicContact CG-CB 4.41Å; C677-I685 HydrophobicContact CB-CG2 4.13Å; C677-E686 VanDerWaalsContact CA-O 3.23Å; C677-E686 WeakPolarHBondContact CA-O 3.31Å; C677-F687 WeakPolarHBondContact SG-CD1 3.45Å; C677-F687 VanDerWaalsContact SG-CE1 3.5Å; C677-W751 HydrophobicContact CB-CH2 3.83Å; C677-W751 HydrophobicContact CB-CZ2 4.29Å
678	L	92.5	Very high	90	Very high	32 Å²	32	62.6 Å²	62.6	17%	0.168	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.6	170.9	-55.6	-177.8	0	0	0	108.3	K661 W676 I685 E686 Y688	K661-L678 HydrophobicContact CB-CD2 3.37Å; K661-L678 HydrophobicContact CD-CD2 4.19Å; K661-L678 HydrophobicContact CG-CD2 4.38Å; W676-L678 HydrophobicContact CZ2-CD2 4.36Å; L678-I685 CarbonylContact O-C 3.56Å; L678-I685 VanDerWaalsContact O-CA 3.29Å; L678-I685 WeakPolarHBondContact O-CA 3.48Å; L678-E686 HydrophobicContact CB-CB 4.43Å; L678-E686 PolarHBondContact N-O 2.89Å; L678-E686 PolarHBondContact O-N 3.42Å; L678-Y688 HydrophobicContact CD1-CD2 4.38Å; L678-Y688 HydrophobicContact CD1-CE2 3.61Å; L678-Y688 HydrophobicContact CG-CD2 4.28Å; L678-Y688 HydrophobicContact CG-CE2 3.9Å
679	L	92.3	Very high	90.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117	168.8	173.5	63.7	0	0	0	108.6	C658 I659 K660 I685 L702 W751 A754 I755 T758	C658-L679 CarbonylContact C-O 3.53Å; C658-L679 WeakPolarHBondContact CA-O 3.45Å; C658-L679 PolarHBondContact SG-O 3.45Å; C658-L679 VanDerWaalsContact SG-O 3.41Å; I659-L679 HydrophobicContact CB-CD2 4.18Å; I659-L679 HydrophobicContact CB-CG 4.15Å; I659-L679 HydrophobicContact CG2-CD2 4.1Å; I659-L679 PolarHBondContact N-O 3.28Å; K660-L679 HydrophobicContact CB-CB 4.31Å; K660-L679 HydrophobicContact CB-CD2 4.3Å; K660-L679 WeakPolarHBondContact O-CB 3.34Å; K660-L679 PolarHBondContact O-N 2.79Å; L679-I685 HydrophobicContact CB-CG1 4.47Å; L679-I685 HydrophobicContact CD1-CD1 4.41Å; L679-I685 HydrophobicContact CD1-CG1 3.73Å; L679-L702 HydrophobicContact CD1-CD1 3.5Å; L679-L702 VanDerWaalsContact CD1-CD1 3.5Å; L679-W751 HydrophobicContact CB-CZ3 3.99Å; L679-A754 HydrophobicContact CD2-CB 3.97Å; L679-I755 HydrophobicContact CD2-CG1 4.23Å; L679-T758 HydrophobicContact CD1-CG2 4.34Å
680	G	90.7	Very high	91.1	Very high	12 Å²	12	49.7 Å²	49.7	12%	0.124	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	159.9	175.6	0	0	0	0	0	113.1	D682 A683 V684	G680-D682 VanDerWaalsContact C-OD1 3.3Å; G680-D682 VanDerWaalsContact CA-OD1 3.29Å; G680-D682 WeakPolarHBondContact CA-OD1 3.3Å; G680-D682 PolarHBondContact O-N 3.47Å; G680-A683 PolarHBondContact O-N 3.41Å; G680-V684 PolarHBondContact N-O 2.81Å
681	R	87.2	Confident	91.5	Very high	155 Å²	155	38.7 Å²	38.7	59%	0.585	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.4	170.9	-80.1	-170	-168.9	164.9	3.8	114.3	S657 I659 A683	S657-R681 WeakPolarHBondContact O-CG 3.34Å; S657-R681 PolarHBondContact O-N 3.32Å; S657-R681 VanDerWaalsContact O-N 3.15Å; S657-R681 PolarHBondContact OG-NE 2.97Å; S657-R681 PolarHBondContact OG-NH2 3.25Å; S657-R681 VanDerWaalsContact OG-NH2 3.15Å; I659-R681 HydrophobicContact CD1-CB 4.37Å; I659-R681 HydrophobicContact CD1-CG 3.86Å; I659-R681 HydrophobicContact CG1-CB 4.47Å; I659-R681 HydrophobicContact CG1-CG 3.64Å; R681-A683 PolarHBondContact O-N 3Å
682	D	87.5	Confident	91.6	Very high	94 Å²	94	35.8 Å²	35.8	50%	0.503	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	10.7	174.1	60.9	-19.8	0	0	0	113.1	G680 V684	G680-D682 VanDerWaalsContact C-OD1 3.3Å; G680-D682 VanDerWaalsContact CA-OD1 3.29Å; G680-D682 WeakPolarHBondContact CA-OD1 3.3Å; G680-D682 PolarHBondContact O-N 3.47Å; D682-V684 HydrophobicContact CB-CG2 4.38Å; D682-V684 PolarHBondContact O-N 3.49Å; D682-V684 PolarHBondContact OD1-N 2.61Å; D682-V684 WeakPolarHBondContact OD2-CG2 3.47Å
683	A	89.4	Confident	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	58.4	36.4	-175.5	0	0	0	0	0	112.7	G680 R681 L702 L703 T758 F762	G680-A683 PolarHBondContact O-N 3.41Å; R681-A683 PolarHBondContact O-N 3Å; A683-L702 HydrophobicContact CB-CB 4.25Å; A683-L702 HydrophobicContact CB-CD1 4.45Å; A683-L702 WeakPolarHBondContact O-CB 3.42Å; A683-L702 VanDerWaalsContact O-CG 3.23Å; A683-L702 WeakPolarHBondContact O-CG 3.38Å; A683-L702 PolarHBondContact O-N 2.85Å; A683-L703 HydrophobicContact CB-CD2 4.44Å; A683-L703 HydrophobicContact CB-CG 4.33Å; A683-T758 HydrophobicContact CB-CG2 3.99Å; A683-F762 HydrophobicContact CB-CD2 4.01Å; A683-F762 HydrophobicContact CB-CG 4.47Å
684	V	90.8	Very high	91.3	Very high	19 Å²	19	30.3 Å²	30.3	12%	0.115	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.1	175.9	178.5	0	0	0	0	110.5	G680 D682 E686 T699 V700 V701	G680-V684 PolarHBondContact N-O 2.81Å; D682-V684 HydrophobicContact CB-CG2 4.38Å; D682-V684 PolarHBondContact O-N 3.49Å; D682-V684 PolarHBondContact OD1-N 2.61Å; D682-V684 WeakPolarHBondContact OD2-CG2 3.47Å; V684-E686 HydrophobicContact CG1-CG 4.37Å; V684-T699 HydrophobicContact CG1-CG2 3.18Å; V684-V700 WeakPolarHBondContact CA-O 3.43Å; V684-V701 HydrophobicContact CG2-CG2 4.36Å
685	I	92.3	Very high	91	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.5	166.5	-58.2	-178.1	0	0	0	109.9	C677 L678 L679 F687 T699 V700 L702 I755	C677-I685 HydrophobicContact CB-CG2 4.13Å; L678-I685 CarbonylContact O-C 3.56Å; L678-I685 VanDerWaalsContact O-CA 3.29Å; L678-I685 WeakPolarHBondContact O-CA 3.48Å; L679-I685 HydrophobicContact CB-CG1 4.47Å; L679-I685 HydrophobicContact CD1-CD1 4.41Å; L679-I685 HydrophobicContact CD1-CG1 3.73Å; I685-F687 HydrophobicContact CB-CE2 3.91Å; I685-F687 HydrophobicContact CG2-CD2 3.89Å; I685-F687 HydrophobicContact CG2-CE2 3.38Å; I685-F687 HydrophobicContact CG2-CZ 3.74Å; I685-T699 CarbonylContact O-C 3.59Å; I685-T699 WeakPolarHBondContact O-CA 3.42Å; I685-V700 PolarHBondContact N-O 3.41Å; I685-V700 PolarHBondContact O-N 2.86Å; I685-L702 HydrophobicContact CD1-CD2 3.65Å; I685-L702 HydrophobicContact CD1-CG 4.43Å; I685-L702 HydrophobicContact CG1-CD1 4.25Å; I685-L702 HydrophobicContact CG1-CD2 3.83Å; I685-L702 HydrophobicContact CG1-CG 4.15Å; I685-I755 HydrophobicContact CD1-CD1 3.75Å; I685-I755 HydrophobicContact CD1-CG1 4.03Å
686	E	93.1	Very high	90.8	Very high	64 Å²	64	30.3 Å²	30.3	30%	0.299	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.9	171.3	-60.5	-172.1	139.3	0	0	110.8	C677 L678 V684 Y688 A696 T699	C677-E686 VanDerWaalsContact CA-O 3.23Å; C677-E686 WeakPolarHBondContact CA-O 3.31Å; L678-E686 HydrophobicContact CB-CB 4.43Å; L678-E686 PolarHBondContact N-O 2.89Å; L678-E686 PolarHBondContact O-N 3.42Å; V684-E686 HydrophobicContact CG1-CG 4.37Å; E686-Y688 HydrophobicContact CB-CD2 4.21Å; E686-Y688 HydrophobicContact CB-CE2 3.51Å; E686-Y688 HydrophobicContact CG-CE2 4.49Å; E686-Y688 VanDerWaalsContact OE2-CE2 3.31Å; E686-Y688 WeakPolarHBondContact OE2-CE2 3.39Å; E686-Y688 PolarHBondContact OE2-OH 3.25Å; E686-A696 HydrophobicContact CB-CB 4.16Å; E686-T699 HydrophobicContact CG-CG2 4.35Å
687	F	92.5	Very high	90.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.7	179	-67.8	-102.9	0	0	0	110.3	H675 C677 I685 K697 M698 V700 L740	H675-F687 HydrophobicContact CB-CB 4.36Å; H675-F687 HydrophobicContact CB-CD1 3.95Å; C677-F687 WeakPolarHBondContact SG-CD1 3.45Å; C677-F687 VanDerWaalsContact SG-CE1 3.5Å; I685-F687 HydrophobicContact CB-CE2 3.91Å; I685-F687 HydrophobicContact CG2-CD2 3.89Å; I685-F687 HydrophobicContact CG2-CE2 3.38Å; I685-F687 HydrophobicContact CG2-CZ 3.74Å; F687-K697 WeakPolarHBondContact O-CA 3.48Å; F687-K697 WeakPolarHBondContact O-CB 3.28Å; F687-K697 PolarHBondContact O-N 2.63Å; F687-M698 HydrophobicContact CB-CB 4.26Å; F687-M698 WeakPolarHBondContact CB-O 3.43Å; F687-M698 HydrophobicContact CD1-CE 4.34Å; F687-M698 HydrophobicContact CD2-CE 3.81Å; F687-M698 HydrophobicContact CE2-CE 4.06Å; F687-M698 HydrophobicContact CG-CE 3.97Å; F687-M698 HydrophobicContact CZ-CE 4.44Å; F687-M698 PolarHBondContact N-O 2.86Å; F687-M698 PolarHBondContact O-N 2.79Å; F687-V700 HydrophobicContact CD2-CG2 4Å; F687-V700 HydrophobicContact CE2-CB 4Å; F687-V700 HydrophobicContact CE2-CG2 3.49Å; F687-V700 VanDerWaalsContact CE2-CG2 3.49Å; F687-V700 HydrophobicContact CZ-CG2 4.43Å; F687-L740 HydrophobicContact CE1-CD2 3.82Å; F687-L740 HydrophobicContact CZ-CD1 4.36Å; F687-L740 HydrophobicContact CZ-CD2 4.06Å
688	Y	93.1	Very high	90.3	Very high	19 Å²	19	36.9 Å²	36.9	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	155.2	174.8	-65.5	-99.2	0	0	0	111.3	H675 W676 L678 E686 A690 D693 V695 A696	H675-Y688 WeakPolarHBondContact CA-O 3.47Å; H675-Y688 WeakPolarHBondContact CB-O 3.4Å; W676-Y688 PolarHBondContact N-O 3.08Å; W676-Y688 WeakPolarHBondContact O-CA 3.23Å; W676-Y688 WeakPolarHBondContact O-CB 3.38Å; W676-Y688 PolarHBondContact O-N 2.74Å; L678-Y688 HydrophobicContact CD1-CD2 4.38Å; L678-Y688 HydrophobicContact CD1-CE2 3.61Å; L678-Y688 HydrophobicContact CG-CD2 4.28Å; L678-Y688 HydrophobicContact CG-CE2 3.9Å; E686-Y688 HydrophobicContact CB-CD2 4.21Å; E686-Y688 HydrophobicContact CB-CE2 3.51Å; E686-Y688 HydrophobicContact CG-CE2 4.49Å; E686-Y688 VanDerWaalsContact OE2-CE2 3.31Å; E686-Y688 WeakPolarHBondContact OE2-CE2 3.39Å; E686-Y688 PolarHBondContact OE2-OH 3.25Å; Y688-A690 VanDerWaalsContact C-N 3.31Å; Y688-D693 HydrophobicContact CD1-CB 4.09Å; Y688-V695 WeakPolarHBondContact CD1-O 3.45Å; Y688-A696 HydrophobicContact CD1-CB 4.39Å; Y688-A696 HydrophobicContact CD2-CB 4.46Å; Y688-A696 HydrophobicContact CE1-CB 4.08Å; Y688-A696 VanDerWaalsContact CE1-N 3.34Å; Y688-A696 HydrophobicContact CE2-CB 4.13Å
689	G	91.2	Very high	90.2	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	20%	0.196	C	C	.	.	S	Bend	trans	-66.3	-35.5	174.3	0	0	0	0	0	112.8	D693 K697	G689-D693 WeakPolarHBondContact CA-OD2 3.46Å; G689-D693 PolarHBondContact N-OD2 2.8Å; G689-K697 VanDerWaalsContact CA-CE 3.44Å
690	A	91.7	Very high	90	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.197	C	C	.	.	S	Bend	trans	-158.9	171.1	176.5	0	0	0	0	0	110.9	D545 R546 T548 Y688 E692 D693	D545-A690 WeakPolarHBondContact O-CB 3.13Å; R546-A690 WeakPolarHBondContact O-CB 3.22Å; T548-A690 HydrophobicContact CG2-CB 3.88Å; Y688-A690 VanDerWaalsContact C-N 3.31Å; A690-E692 VanDerWaalsContact C-N 3.29Å; A690-E692 PolarHBondContact O-N 3.06Å; A690-D693 PolarHBondContact N-OD2 2.77Å; A690-D693 WeakPolarHBondContact O-CB 2.87Å; A690-D693 PolarHBondContact O-N 2.91Å
691	S	90.2	Very high	89.9	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.5	-168.2	64.8	0	0	0	0	115.1	R546	R546-S691 PolarHBondContact O-N 2.85Å
692	E	90.6	Very high	90.1	Very high	46 Å²	46	33.8 Å²	33.8	22%	0.215	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	10.7	-177.7	-62.6	-62	149.4	0	0	112.7	N445 V542 R546 V547 Q551 A690	N445-E692 PolarHBondContact ND2-OE1 3.39Å; V542-E692 HydrophobicContact CG1-CB 3.99Å; V542-E692 HydrophobicContact CG1-CG 3.78Å; R546-E692 HydrophobicContact CB-CB 4.16Å; R546-E692 HydrophobicContact CB-CG 3.81Å; R546-E692 WeakPolarHBondContact O-CA 3.39Å; R546-E692 VanDerWaalsContact O-CB 3.3Å; R546-E692 WeakPolarHBondContact O-CB 3.47Å; R546-E692 PolarHBondContact O-N 3.1Å; V547-E692 HydrophobicContact CG2-CB 3.68Å; Q551-E692 PolarHBondContact NE2-O 2.84Å; A690-E692 VanDerWaalsContact C-N 3.29Å; A690-E692 PolarHBondContact O-N 3.06Å
693	D	91.8	Very high	90	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.			trans	-67.6	152.5	170.7	-75.9	-16.9	0	0	0	111	T548 M549 K653 Y688 G689 A690	T548-D693 PolarHBondContact N-OD1 2.86Å; T548-D693 PolarHBondContact OG1-OD1 3.04Å; T548-D693 PolarHBondContact OG1-OD2 2.92Å; M549-D693 HydrophobicContact CE-CB 3.76Å; M549-D693 HydrophobicContact CG-CB 4.26Å; M549-D693 PolarHBondContact N-OD1 2.94Å; M549-D693 HydrophobicContact SD-CB 3.93Å; K653-D693 PolarHBondContact NZ-O 3.21Å; Y688-D693 HydrophobicContact CD1-CB 4.09Å; G689-D693 WeakPolarHBondContact CA-OD2 3.46Å; G689-D693 PolarHBondContact N-OD2 2.8Å; A690-D693 PolarHBondContact N-OD2 2.77Å; A690-D693 WeakPolarHBondContact O-CB 2.87Å; A690-D693 PolarHBondContact O-N 2.91Å
694	K	86.5	Confident	89.9	Confident	69 Å²	69	34 Å²	34	30%	0.3	19%	0.186	S	C	.	.	S	Bend	trans	-101	-16.2	-178.8	-67.8	-164.7	166.8	-172.1	0	114.1	Q551	Q551-K694 WeakPolarHBondContact O-CD 3.07Å; Q551-K694 WeakPolarHBondContact O-CE 3.37Å; Q551-K694 PolarHBondContact O-NZ 2.92Å
695	V	87.4	Confident	89.8	Confident	74 Å²	74	33.5 Å²	33.5	45%	0.448	18%	0.182	S	C	.	.	S	Bend	trans	-130.9	129.1	-175.1	-174.9	0	0	0	0	108.6	M549 Y688	M549-V695 HydrophobicContact CE-CB 4.41Å; M549-V695 WeakPolarHBondContact CE-O 3.43Å; M549-V695 HydrophobicContact SD-CB 3.93Å; M549-V695 HydrophobicContact SD-CG2 4.2Å; Y688-V695 WeakPolarHBondContact CD1-O 3.45Å
696	A	89.1	Confident	89.7	Confident	25 Å²	25	38.5 Å²	38.5	21%	0.207	21%	0.205	C	C	.	.			trans	-65.3	140.5	173.4	0	0	0	0	0	110.1	E686 Y688	E686-A696 HydrophobicContact CB-CB 4.16Å; Y688-A696 HydrophobicContact CD1-CB 4.39Å; Y688-A696 HydrophobicContact CD2-CB 4.46Å; Y688-A696 HydrophobicContact CE1-CB 4.08Å; Y688-A696 VanDerWaalsContact CE1-N 3.34Å; Y688-A696 HydrophobicContact CE2-CB 4.13Å
697	K	88	Confident	89.7	Confident	114 Å²	114	36.5 Å²	36.5	50%	0.496	20%	0.196	S	C	.	.	S	Bend	trans	-77.3	-30.5	173.1	-72.4	-175.7	173.3	173.5	0	112.2	F687 G689	F687-K697 WeakPolarHBondContact O-CA 3.48Å; F687-K697 WeakPolarHBondContact O-CB 3.28Å; F687-K697 PolarHBondContact O-N 2.63Å; G689-K697 VanDerWaalsContact CA-CE 3.44Å
698	M	87.8	Confident	89.8	Confident	32 Å²	32	40.6 Å²	40.6	16%	0.158	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	145.6	-177	-178.7	174	74.7	0	0	108.2	L666 F687 V700 L735 L738	L666-M698 HydrophobicContact CD2-CE 3.6Å; F687-M698 HydrophobicContact CB-CB 4.26Å; F687-M698 WeakPolarHBondContact CB-O 3.43Å; F687-M698 HydrophobicContact CD1-CE 4.34Å; F687-M698 HydrophobicContact CD2-CE 3.81Å; F687-M698 HydrophobicContact CE2-CE 4.06Å; F687-M698 HydrophobicContact CG-CE 3.97Å; F687-M698 HydrophobicContact CZ-CE 4.44Å; F687-M698 PolarHBondContact N-O 2.86Å; F687-M698 PolarHBondContact O-N 2.79Å; M698-V700 HydrophobicContact CE-CG2 3.96Å; M698-V700 HydrophobicContact CG-CG2 4.33Å; M698-L735 HydrophobicContact CE-CD1 4.3Å; M698-L735 HydrophobicContact SD-CD1 3.85Å; M698-L738 HydrophobicContact CE-CD2 4.38Å
699	T	89.9	Confident	89.9	Confident	67 Å²	67	42.8 Å²	42.8	41%	0.411	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.8	176	-58.8	0	0	0	0	107.6	V684 I685 E686	V684-T699 HydrophobicContact CG1-CG2 3.18Å; I685-T699 CarbonylContact O-C 3.59Å; I685-T699 WeakPolarHBondContact O-CA 3.42Å; E686-T699 HydrophobicContact CG-CG2 4.35Å
700	V	88.9	Confident	90	Very high	5 Å²	5	46 Å²	46	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.4	-177.1	176.4	0	0	0	0	108.3	V684 I685 F687 M698 Y705 M722 L738	V684-V700 WeakPolarHBondContact CA-O 3.43Å; I685-V700 PolarHBondContact N-O 3.41Å; I685-V700 PolarHBondContact O-N 2.86Å; F687-V700 HydrophobicContact CD2-CG2 4Å; F687-V700 HydrophobicContact CE2-CB 4Å; F687-V700 HydrophobicContact CE2-CG2 3.49Å; F687-V700 VanDerWaalsContact CE2-CG2 3.49Å; F687-V700 HydrophobicContact CZ-CG2 4.43Å; M698-V700 HydrophobicContact CE-CG2 3.96Å; M698-V700 HydrophobicContact CG-CG2 4.33Å; V700-Y705 HydrophobicContact CG1-CD2 3.89Å; V700-Y705 HydrophobicContact CG1-CE2 3.57Å; V700-M722 HydrophobicContact CG1-CE 4.03Å; V700-L738 HydrophobicContact CB-CD1 4.45Å; V700-L738 HydrophobicContact CG1-CD1 3.75Å; V700-L738 HydrophobicContact CG2-CD1 3.87Å
701	V	89.6	Confident	90	Very high	62 Å²	62	50.4 Å²	50.4	38%	0.376	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114	173	-177	0	0	0	0	108.4	V684 L703 S704 Y705	V684-V701 HydrophobicContact CG2-CG2 4.36Å; V701-L703 VanDerWaalsContact C-N 3.31Å; V701-L703 HydrophobicContact CG1-CB 4.37Å; V701-L703 PolarHBondContact O-N 2.85Å; V701-S704 PolarHBondContact O-N 3.2Å; V701-Y705 WeakPolarHBondContact O-CD2 3.29Å
702	L	89.6	Confident	89.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-64.2	-32.8	-171.9	-67	179.2	0	0	0	113.4	L679 A683 I685 S704 Y705 M722 I755 L759	L679-L702 HydrophobicContact CD1-CD1 3.5Å; L679-L702 VanDerWaalsContact CD1-CD1 3.5Å; A683-L702 HydrophobicContact CB-CB 4.25Å; A683-L702 HydrophobicContact CB-CD1 4.45Å; A683-L702 WeakPolarHBondContact O-CB 3.42Å; A683-L702 VanDerWaalsContact O-CG 3.23Å; A683-L702 WeakPolarHBondContact O-CG 3.38Å; A683-L702 PolarHBondContact O-N 2.85Å; I685-L702 HydrophobicContact CD1-CD2 3.65Å; I685-L702 HydrophobicContact CD1-CG 4.43Å; I685-L702 HydrophobicContact CG1-CD1 4.25Å; I685-L702 HydrophobicContact CG1-CD2 3.83Å; I685-L702 HydrophobicContact CG1-CG 4.15Å; L702-S704 PolarHBondContact O-N 3.15Å; L702-S704 VanDerWaalsContact O-N 3.08Å; L702-Y705 PolarHBondContact O-N 2.68Å; L702-M722 HydrophobicContact CD2-CE 3.28Å; L702-M722 HydrophobicContact CD2-SD 4.43Å; L702-I755 HydrophobicContact CD1-CG2 3.81Å; L702-I755 HydrophobicContact CD2-CG2 3.89Å; L702-I755 HydrophobicContact CG-CG2 4.45Å; L702-L759 HydrophobicContact CB-CD2 3.72Å; L702-L759 HydrophobicContact CB-CG 4.29Å
703	L	87.2	Confident	89.8	Confident	54 Å²	54	54.2 Å²	54.2	28%	0.283	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28	-176.9	-61.4	171.4	0	0	0	113.3	A683 V701 Y705 K725 L759 F762	A683-L703 HydrophobicContact CB-CD2 4.44Å; A683-L703 HydrophobicContact CB-CG 4.33Å; V701-L703 VanDerWaalsContact C-N 3.31Å; V701-L703 HydrophobicContact CG1-CB 4.37Å; V701-L703 PolarHBondContact O-N 2.85Å; L703-Y705 PolarHBondContact O-N 3Å; L703-K725 WeakPolarHBondContact O-CD 3.41Å; L703-K725 WeakPolarHBondContact O-CE 3.4Å; L703-K725 PolarHBondContact O-NZ 2.83Å; L703-K725 VanDerWaalsContact O-NZ 3.09Å; L703-L759 HydrophobicContact CD2-CD2 4.05Å; L703-F762 HydrophobicContact CD1-CD1 3.81Å; L703-F762 HydrophobicContact CD1-CE1 3.37Å; L703-F762 HydrophobicContact CD1-CE2 4.19Å; L703-F762 HydrophobicContact CD1-CG 4.4Å; L703-F762 HydrophobicContact CD1-CZ 3.59Å; L703-F762 HydrophobicContact CD2-CB 4.14Å; L703-F762 HydrophobicContact CD2-CD1 3.42Å; L703-F762 VanDerWaalsContact CD2-CD1 3.42Å; L703-F762 HydrophobicContact CD2-CE1 3.93Å; L703-F762 HydrophobicContact CD2-CG 3.78Å; L703-F762 HydrophobicContact CG-CD1 4.22Å; L703-F762 HydrophobicContact CG-CE1 4.27Å
704	S	85.8	Confident	89.5	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-80.8	-2.6	178.3	-46.2	0	0	0	0	113.4	V701 L702 H724 K725	V701-S704 PolarHBondContact O-N 3.2Å; L702-S704 PolarHBondContact O-N 3.15Å; L702-S704 VanDerWaalsContact O-N 3.08Å; S704-H724 WeakPolarHBondContact CB-NE2 3.29Å; S704-H724 CarbonylContact O-C 3.48Å; S704-H724 WeakPolarHBondContact O-CA 3.2Å; S704-H724 PolarHBondContact O-CD2 3.27Å; S704-K725 PolarHBondContact O-N 3.3Å
705	Y	89.3	Confident	89.3	Confident	9 Å²	9	64.1 Å²	64.1	4%	0.035	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144	-176.6	-69.5	-96.2	0	0	0	112	V700 V701 L702 L703 M722 T723 H724 K725 S733 L735 L738	V700-Y705 HydrophobicContact CG1-CD2 3.89Å; V700-Y705 HydrophobicContact CG1-CE2 3.57Å; V701-Y705 WeakPolarHBondContact O-CD2 3.29Å; L702-Y705 PolarHBondContact O-N 2.68Å; L703-Y705 PolarHBondContact O-N 3Å; Y705-M722 HydrophobicContact CD1-CB 3.9Å; Y705-M722 HydrophobicContact CD1-CE 4.48Å; Y705-M722 HydrophobicContact CD2-CE 4.37Å; Y705-M722 HydrophobicContact CG-CB 4.29Å; Y705-M722 HydrophobicContact CG-CE 4.02Å; Y705-T723 CarbonylContact C-O 3.51Å; Y705-T723 WeakPolarHBondContact CA-O 3.29Å; Y705-H724 HydrophobicContact CD1-CB 4.09Å; Y705-H724 HydrophobicContact CE1-CB 3.84Å; Y705-H724 AromaticContact CE2-CD2 3.78Å; Y705-H724 AromaticContact CZ-CD2 3.77Å; Y705-K725 WeakPolarHBondContact O-CE 3.41Å; Y705-S733 PolarHBondContact OH-OG 2.92Å; Y705-L735 WeakPolarHBondContact CE1-O 3.34Å; Y705-L735 PolarHBondContact OH-O 3.1Å; Y705-L738 HydrophobicContact CD1-CD1 4.49Å; Y705-L738 HydrophobicContact CE1-CD1 3.97Å; Y705-L738 HydrophobicContact CE1-CG 4.22Å
706	E	90.2	Very high	89.3	Confident	106 Å²	106	66.9 Å²	66.9	50%	0.495	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133	164.9	-172.7	-177.1	-166.6	0	0	109.1	H708 M722 T723 K725	E706-H708 IonicContact OE1-CE1 3.5Å; E706-H708 PolarHBondContact OE1-CE1 2.89Å; E706-H708 IonicContact OE1-NE2 3.24Å; E706-H708 IonicContact OE2-CE1 2.76Å; E706-M722 CarbonylContact O-C 3.55Å; E706-M722 VanDerWaalsContact O-CA 3.31Å; E706-M722 WeakPolarHBondContact O-CA 3.29Å; E706-T723 PolarHBondContact N-O 2.8Å; E706-T723 PolarHBondContact O-N 2.85Å; E706-K725 HydrophobicContact CB-CG 4.42Å
707	I	93.2	Very high	89.4	Confident	22 Å²	22	67.3 Å²	67.3	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.9	-173.4	68.6	167	0	0	0	111.5	K721 M722 Y752 I755 R756 L759	I707-K721 CarbonylContact C-O 3.47Å; I707-K721 WeakPolarHBondContact CA-O 3.48Å; I707-M722 HydrophobicContact CG2-CB 4.45Å; I707-M722 HydrophobicContact CG2-CG 3.96Å; I707-Y752 HydrophobicContact CD1-CD2 4.45Å; I707-Y752 HydrophobicContact CD1-CE2 4.13Å; I707-Y752 HydrophobicContact CG1-CE2 4.34Å; I707-I755 HydrophobicContact CD1-CB 4.37Å; I707-I755 HydrophobicContact CD1-CG2 3.89Å; I707-I755 HydrophobicContact CG2-CG2 4.02Å; I707-R756 HydrophobicContact CD1-CB 3.76Å; I707-R756 HydrophobicContact CD1-CG 4.24Å; I707-L759 HydrophobicContact CD1-CD1 3.95Å; I707-L759 HydrophobicContact CG1-CD1 4.09Å; I707-L759 HydrophobicContact CG2-CD1 3.94Å
708	H	94.3	Very high	89.7	Confident	85 Å²	85	62.4 Å²	62.4	39%	0.394	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.9	177.6	-68.8	87.7	0	0	0	109.7	E706 K721	E706-H708 IonicContact OE1-CE1 3.5Å; E706-H708 PolarHBondContact OE1-CE1 2.89Å; E706-H708 IonicContact OE1-NE2 3.24Å; E706-H708 IonicContact OE2-CE1 2.76Å; H708-K721 HydrophobicContact CB-CB 4.45Å; H708-K721 PolarHBondContact N-O 3.32Å; H708-K721 PolarHBondContact O-N 3.46Å
709	K	94.7	Very high	90	Very high	66 Å²	66	61.8 Å²	61.8	29%	0.287	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	168.2	-175.1	-175.8	169.1	-175.7	0	109.4	D718 D749 Y752	K709-D718 WeakPolarHBondContact CE-OD2 3.45Å; K709-D718 IonicContact NZ-OD2 3.82Å; K709-D718 PolarHBondContact NZ-OD2 3.32Å; K709-D749 WeakPolarHBondContact CE-OD1 3.41Å; K709-D749 IonicContact NZ-OD1 3.53Å; K709-D749 PolarHBondContact NZ-OD1 2.83Å; K709-D749 IonicContact NZ-OD2 2.85Å; K709-D749 PolarHBondContact NZ-OD2 2.83Å; K709-Y752 HydrophobicContact CB-CD1 4.12Å; K709-Y752 HydrophobicContact CB-CD2 3.82Å; K709-Y752 HydrophobicContact CB-CE1 4.03Å; K709-Y752 HydrophobicContact CB-CE2 3.73Å; K709-Y752 HydrophobicContact CB-CG 4Å; K709-Y752 HydrophobicContact CD-CD1 4.36Å; K709-Y752 HydrophobicContact CG-CG 4.49Å
710	I	93.9	Very high	90.3	Very high	81 Å²	81	58.7 Å²	58.7	42%	0.415	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.2	170.3	-56.7	175.7	0	0	0	107.3	D718 V719 K721	I710-D718 WeakPolarHBondContact O-CA 3.48Å; I710-V719 PolarHBondContact N-O 3.47Å; I710-V719 PolarHBondContact O-N 2.92Å; I710-K721 HydrophobicContact CD1-CB 3.82Å; I710-K721 HydrophobicContact CD1-CD 3.81Å; I710-K721 HydrophobicContact CD1-CG 4.46Å; I710-K721 HydrophobicContact CG1-CB 4.29Å
711	V	92.1	Very high	90.5	Very high	94 Å²	94	61.6 Å²	61.6	57%	0.57	34%	0.344	S	S	*	.			trans	-79.4	128.7	176	-178.8	0	0	0	0	108.9	D718	V711-D718 WeakPolarHBondContact CA-OD1 3.22Å
712	G	88	Confident	90.6	Very high	23 Å²	23	58.7 Å²	58.7	24%	0.237	33%	0.326	C	S	.	.			trans	-70.9	145.9	178.1	0	0	0	0	0	112.2	E716 D718	G712-E716 WeakPolarHBondContact CA-O 3.48Å; G712-D718 PolarHBondContact N-OD1 2.98Å
713	V	88.6	Confident	90.6	Very high	105 Å²	105	60.7 Å²	60.7	64%	0.636	34%	0.338	S	S	*	.			trans	-121.4	148.7	178.9	-173.9	0	0	0	0	108.4	G715 E716	V713-G715 VanDerWaalsContact C-N 3.31Å; V713-G715 PolarHBondContact O-N 2.83Å; V713-E716 WeakPolarHBondContact O-CB 3.42Å; V713-E716 PolarHBondContact O-N 2.89Å
714	Q	84.8	Confident	90.6	Very high	199 Å²	199	58.7 Å²	58.7	93%	0.93	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	34.2	177.9	-68.5	170.8	6	0	0	115.1
715	G	82.9	Confident	90.5	Very high	80 Å²	80	61.5 Å²	61.5	83%	0.825	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	0.2	178.6	0	0	0	0	0	114.6	V713	V713-G715 VanDerWaalsContact C-N 3.31Å; V713-G715 PolarHBondContact O-N 2.83Å
716	E	88.5	Confident	89.6	Confident	132 Å²	132	66.6 Å²	66.6	62%	0.617	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-65.6	147.8	166.4	-69.9	-60.3	138.4	0	0	111	G712 V713	G712-E716 WeakPolarHBondContact CA-O 3.48Å; V713-E716 WeakPolarHBondContact O-CB 3.42Å; V713-E716 PolarHBondContact O-N 2.89Å
717	P	89.8	Confident	88.3	Confident	34 Å²	34	70.2 Å²	70.2	22%	0.221	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-77.6	153.6	179.9	32.1	-34.2	0	0	0	111.8	K741 N745	P717-K741 HydrophobicContact CB-CD 4.08Å; P717-K741 HydrophobicContact CG-CD 3.62Å; P717-N745 WeakPolarHBondContact CA-OD1 3.16Å
718	D	93.8	Very high	86.9	Confident	10 Å²	10	74.6 Å²	74.6	5%	0.053	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-64	144	167.9	-73.9	7.5	0	0	0	110	K709 I710 V711 G712 K741 N745 T748	K709-D718 WeakPolarHBondContact CE-OD2 3.45Å; K709-D718 IonicContact NZ-OD2 3.82Å; K709-D718 PolarHBondContact NZ-OD2 3.32Å; I710-D718 WeakPolarHBondContact O-CA 3.48Å; V711-D718 WeakPolarHBondContact CA-OD1 3.22Å; G712-D718 PolarHBondContact N-OD1 2.98Å; D718-K741 WeakPolarHBondContact O-CB 3.48Å; D718-N745 HydrophobicContact CB-CB 4.27Å; D718-N745 PolarHBondContact N-OD1 3.23Å; D718-T748 HydrophobicContact CB-CG2 4.16Å; D718-T748 WeakPolarHBondContact O-CG2 3.35Å
719	V	95	Very high	85	Confident	19 Å²	19	74.9 Å²	74.9	12%	0.115	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.3	-176.8	178.7	0	0	0	0	110.5	W672 I710 L739 L740 K741	W672-V719 HydrophobicContact CH2-CG1 4.23Å; W672-V719 HydrophobicContact CH2-CG2 4.04Å; W672-V719 HydrophobicContact CZ2-CG2 4.47Å; I710-V719 PolarHBondContact N-O 3.47Å; I710-V719 PolarHBondContact O-N 2.92Å; V719-L739 HydrophobicContact CG1-CB 3.93Å; V719-L739 HydrophobicContact CG1-CD2 4.03Å; V719-L740 CarbonylContact C-O 3.54Å; V719-L740 WeakPolarHBondContact CA-O 3.42Å; V719-L740 WeakPolarHBondContact CG1-O 3.44Å; V719-K741 HydrophobicContact CG2-CB 4.41Å
720	V	95.5	Very high	83.1	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.018	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115	166.3	-177.8	0	0	0	0	108.6	M722 L740 T748 Y752	V720-M722 HydrophobicContact CG1-CG 4.22Å; V720-L740 HydrophobicContact CB-CB 4.3Å; V720-L740 PolarHBondContact N-O 3.33Å; V720-L740 PolarHBondContact O-N 2.88Å; V720-T748 HydrophobicContact CG2-CG2 3.87Å; V720-Y752 HydrophobicContact CG1-CD2 4.22Å; V720-Y752 HydrophobicContact CG2-CD2 4.25Å; V720-Y752 HydrophobicContact CG2-CG 4.45Å
721	K	94.1	Very high	81.2	Confident	66 Å²	66	78 Å²	78	29%	0.287	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.3	175.2	174.1	175.3	168.1	173.4	0	109.6	I707 H708 I710 T723 L738 L739	I707-K721 CarbonylContact C-O 3.47Å; I707-K721 WeakPolarHBondContact CA-O 3.48Å; H708-K721 HydrophobicContact CB-CB 4.45Å; H708-K721 PolarHBondContact N-O 3.32Å; H708-K721 PolarHBondContact O-N 3.46Å; I710-K721 HydrophobicContact CD1-CB 3.82Å; I710-K721 HydrophobicContact CD1-CD 3.81Å; I710-K721 HydrophobicContact CD1-CG 4.46Å; I710-K721 HydrophobicContact CG1-CB 4.29Å; K721-T723 WeakPolarHBondContact CE-OG1 3.36Å; K721-L738 WeakPolarHBondContact CA-O 3.37Å; K721-L739 HydrophobicContact CB-CD2 3.58Å; K721-L739 HydrophobicContact CD-CD2 4.12Å; K721-L739 HydrophobicContact CG-CD2 3.66Å
722	M	91.7	Very high	79.3	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.2	173.3	-49.4	172.1	52.4	0	0	108.6	V700 L702 Y705 E706 I707 V720 Q737 L738 L740	V700-M722 HydrophobicContact CG1-CE 4.03Å; L702-M722 HydrophobicContact CD2-CE 3.28Å; L702-M722 HydrophobicContact CD2-SD 4.43Å; Y705-M722 HydrophobicContact CD1-CB 3.9Å; Y705-M722 HydrophobicContact CD1-CE 4.48Å; Y705-M722 HydrophobicContact CD2-CE 4.37Å; Y705-M722 HydrophobicContact CG-CB 4.29Å; Y705-M722 HydrophobicContact CG-CE 4.02Å; E706-M722 CarbonylContact O-C 3.55Å; E706-M722 VanDerWaalsContact O-CA 3.31Å; E706-M722 WeakPolarHBondContact O-CA 3.29Å; I707-M722 HydrophobicContact CG2-CB 4.45Å; I707-M722 HydrophobicContact CG2-CG 3.96Å; V720-M722 HydrophobicContact CG1-CG 4.22Å; M722-Q737 CarbonylContact O-C 3.57Å; M722-Q737 VanDerWaalsContact O-CA 3.28Å; M722-Q737 WeakPolarHBondContact O-CA 3.45Å; M722-L738 HydrophobicContact CB-CB 4.18Å; M722-L738 HydrophobicContact CE-CD1 4.26Å; M722-L738 PolarHBondContact N-O 3.32Å; M722-L738 PolarHBondContact O-N 2.96Å; M722-L738 HydrophobicContact SD-CD1 4.23Å; M722-L740 HydrophobicContact SD-CD1 3.61Å
723	T	89.4	Confident	77.7	Confident	42 Å²	42	75.3 Å²	75.3	26%	0.258	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130	179.8	-50.8	0	0	0	0	108.9	Y705 E706 K721 K725	Y705-T723 CarbonylContact C-O 3.51Å; Y705-T723 WeakPolarHBondContact CA-O 3.29Å; E706-T723 PolarHBondContact N-O 2.8Å; E706-T723 PolarHBondContact O-N 2.85Å; K721-T723 WeakPolarHBondContact CE-OG1 3.36Å; T723-K725 PolarHBondContact O-N 2.78Å
724	H	86.9	Confident	76.2	Confident	13 Å²	13	77.3 Å²	77.3	6%	0.06	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.7	-177.5	-167.2	-106.9	0	0	0	111	S704 Y705 N726 S733 L736	S704-H724 WeakPolarHBondContact CB-NE2 3.29Å; S704-H724 CarbonylContact O-C 3.48Å; S704-H724 WeakPolarHBondContact O-CA 3.2Å; S704-H724 PolarHBondContact O-CD2 3.27Å; Y705-H724 HydrophobicContact CD1-CB 4.09Å; Y705-H724 HydrophobicContact CE1-CB 3.84Å; Y705-H724 AromaticContact CE2-CD2 3.78Å; Y705-H724 AromaticContact CZ-CD2 3.77Å; H724-N726 PolarHBondContact CE1-O 2.78Å; H724-N726 VanDerWaalsContact CE1-O 3.28Å; H724-N726 PolarHBondContact ND1-O 3.44Å; H724-N726 PolarHBondContact O-N 2.82Å; H724-S733 PolarHBondContact CD2-OG 2.8Å; H724-S733 VanDerWaalsContact NE2-CB 3.27Å; H724-S733 WeakPolarHBondContact NE2-CB 3.26Å; H724-S733 PolarHBondContact NE2-OG 2.74Å; H724-L736 PolarHBondContact N-O 3.34Å
725	K	83.8	Confident	75.4	Confident	103 Å²	103	70.9 Å²	70.9	45%	0.448	41%	0.408	S	S	.	.	S	Bend	trans	-65.5	-37.4	-173.8	-67.6	178.7	179.9	172.2	0	112.8	L703 S704 Y705 E706 T723	L703-K725 WeakPolarHBondContact O-CD 3.41Å; L703-K725 WeakPolarHBondContact O-CE 3.4Å; L703-K725 PolarHBondContact O-NZ 2.83Å; L703-K725 VanDerWaalsContact O-NZ 3.09Å; S704-K725 PolarHBondContact O-N 3.3Å; Y705-K725 WeakPolarHBondContact O-CE 3.41Å; E706-K725 HydrophobicContact CB-CG 4.42Å; T723-K725 PolarHBondContact O-N 2.78Å
726	N	70.6	Confident	75.1	Confident	116 Å²	116	71.1 Å²	71.1	62%	0.62	39%	0.391	S	S	*	.	S	Bend	trans	-104.2	110.4	179.7	-64.7	-20.1	0	0	0	108.6	H724 V728	H724-N726 PolarHBondContact CE1-O 2.78Å; H724-N726 VanDerWaalsContact CE1-O 3.28Å; H724-N726 PolarHBondContact ND1-O 3.44Å; H724-N726 PolarHBondContact O-N 2.82Å; N726-V728 PolarHBondContact O-N 2.87Å
727	Q	63.5	Low	75	Confident	182 Å²	182	69.2 Å²	69.2	85%	0.85	38%	0.382	S	S	*	.	S	Bend	trans	-60.6	1.5	-177.5	-62.9	-179.4	1.8	0	0	114.9
728	V	62	Low	75	Confident	113 Å²	113	67.7 Å²	67.7	69%	0.685	37%	0.371	S	S	*	.	S	Bend	trans	-95	117.1	172.3	-173.9	0	0	0	0	109.7	N726	N726-V728 PolarHBondContact O-N 2.87Å
729	L	55.8	Low	75	Confident	92 Å²	92	68.8 Å²	68.8	48%	0.482	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.6	174.6	-66.2	166.1	0	0	0	110	S733 L736	L729-S733 WeakPolarHBondContact CD2-O 3.4Å; L729-L736 HydrophobicContact CD2-CD2 3.86Å; L729-L736 HydrophobicContact CD2-CG 3.96Å; L729-L736 HydrophobicContact CG-CD2 4.06Å; L729-L736 HydrophobicContact CG-CG 4.3Å
730	T	54.5	Low	75	Confident	83 Å²	83	68 Å²	68	51%	0.509	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-100.9	168.2	171	62.1	0	0	0	0	109.9	G732 S733	T730-G732 PolarHBondContact O-N 3.35Å; T730-G732 VanDerWaalsContact O-N 3.09Å; T730-S733 CarbonylContact O-C 3.51Å; T730-S733 PolarHBondContact O-N 2.93Å; T730-S733 VanDerWaalsContact O-O 3.1Å; T730-S733 PolarHBondContact OG1-N 2.82Å
731	S	54.3	Low	74.9	Confident	128 Å²	128	69.9 Å²	69.9	90%	0.895	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.7	173	44	0	0	0	0	113.3
732	G	51.9	Low	74.8	Confident	56 Å²	56	67.2 Å²	67.2	58%	0.577	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.1	176.6	0	0	0	0	0	115.7	T730	T730-G732 PolarHBondContact O-N 3.35Å; T730-G732 VanDerWaalsContact O-N 3.09Å
733	S	53.4	Low	74.5	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.035	40%	0.401	C	S	.	.			trans	-129.8	97.8	-175.9	-172.9	0	0	0	0	110.6	Y705 H724 L729 T730	Y705-S733 PolarHBondContact OH-OG 2.92Å; H724-S733 PolarHBondContact CD2-OG 2.8Å; H724-S733 VanDerWaalsContact NE2-CB 3.27Å; H724-S733 WeakPolarHBondContact NE2-CB 3.26Å; H724-S733 PolarHBondContact NE2-OG 2.74Å; L729-S733 WeakPolarHBondContact CD2-O 3.4Å; T730-S733 CarbonylContact O-C 3.51Å; T730-S733 PolarHBondContact O-N 2.93Å; T730-S733 VanDerWaalsContact O-O 3.1Å; T730-S733 PolarHBondContact OG1-N 2.82Å
734	Q	58.2	Low	74.5	Confident	148 Å²	148	73 Å²	73	69%	0.692	40%	0.404	S	S	*	.			trans	-93	-9.7	-172	-61.6	-177	3.8	0	0	113.8
735	L	67.7	Low	74.7	Confident	63 Å²	63	75.3 Å²	75.3	33%	0.33	42%	0.416	S	S	.	.			trans	-134.8	116.9	-173.1	-67	171	0	0	0	110.4	M698 Y705 Q737 L738	M698-L735 HydrophobicContact CE-CD1 4.3Å; M698-L735 HydrophobicContact SD-CD1 3.85Å; Y705-L735 WeakPolarHBondContact CE1-O 3.34Å; Y705-L735 PolarHBondContact OH-O 3.1Å; L735-Q737 PolarHBondContact O-N 3.2Å; L735-L738 HydrophobicContact CB-CD2 3.83Å; L735-L738 HydrophobicContact CB-CG 4.47Å; L735-L738 HydrophobicContact CD1-CD2 3.41Å; L735-L738 VanDerWaalsContact CD1-CD2 3.41Å; L735-L738 HydrophobicContact CG-CD2 4.24Å
736	L	76.6	Confident	74.9	Confident	86 Å²	86	77.1 Å²	77.1	45%	0.45	43%	0.426	S	S	.	.	S	Bend	trans	-62.1	-25.3	176.8	-69.3	174.5	0	0	0	112.8	H724 L729	H724-L736 PolarHBondContact N-O 3.34Å; L729-L736 HydrophobicContact CD2-CD2 3.86Å; L729-L736 HydrophobicContact CD2-CG 3.96Å; L729-L736 HydrophobicContact CG-CD2 4.06Å; L729-L736 HydrophobicContact CG-CG 4.3Å
737	Q	86.4	Confident	75.8	Confident	92 Å²	92	73.4 Å²	73.4	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.3	-178.3	-176.1	175.3	83.1	0	0	110.8	M722 L735 L739	M722-Q737 CarbonylContact O-C 3.57Å; M722-Q737 VanDerWaalsContact O-CA 3.28Å; M722-Q737 WeakPolarHBondContact O-CA 3.45Å; L735-Q737 PolarHBondContact O-N 3.2Å; Q737-L739 HydrophobicContact CG-CG 4.48Å
738	L	90.4	Very high	77.2	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.6	172.9	-56.8	165.8	0	0	0	108.6	L666 M698 V700 Y705 K721 M722 L735	L666-L738 HydrophobicContact CD1-CB 4.13Å; L666-L738 HydrophobicContact CD1-CD2 3.69Å; M698-L738 HydrophobicContact CE-CD2 4.38Å; V700-L738 HydrophobicContact CB-CD1 4.45Å; V700-L738 HydrophobicContact CG1-CD1 3.75Å; V700-L738 HydrophobicContact CG2-CD1 3.87Å; Y705-L738 HydrophobicContact CD1-CD1 4.49Å; Y705-L738 HydrophobicContact CE1-CD1 3.97Å; Y705-L738 HydrophobicContact CE1-CG 4.22Å; K721-L738 WeakPolarHBondContact CA-O 3.37Å; M722-L738 HydrophobicContact CB-CB 4.18Å; M722-L738 HydrophobicContact CE-CD1 4.26Å; M722-L738 PolarHBondContact N-O 3.32Å; M722-L738 PolarHBondContact O-N 2.96Å; M722-L738 HydrophobicContact SD-CD1 4.23Å; L735-L738 HydrophobicContact CB-CD2 3.83Å; L735-L738 HydrophobicContact CB-CG 4.47Å; L735-L738 HydrophobicContact CD1-CD2 3.41Å; L735-L738 VanDerWaalsContact CD1-CD2 3.41Å; L735-L738 HydrophobicContact CG-CD2 4.24Å
739	L	93.6	Very high	78.7	Confident	33 Å²	33	62.1 Å²	62.1	17%	0.173	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.3	171.9	-62.6	173.1	0	0	0	107.7	Q667 W672 V719 K721 Q737	Q667-L739 HydrophobicContact CB-CB 3.89Å; Q667-L739 PolarHBondContact N-O 3.38Å; W672-L739 HydrophobicContact CH2-CB 4.27Å; W672-L739 WeakPolarHBondContact CZ3-O 3.39Å; V719-L739 HydrophobicContact CG1-CB 3.93Å; V719-L739 HydrophobicContact CG1-CD2 4.03Å; K721-L739 HydrophobicContact CB-CD2 3.58Å; K721-L739 HydrophobicContact CD-CD2 4.12Å; K721-L739 HydrophobicContact CG-CD2 3.66Å; Q737-L739 HydrophobicContact CG-CG 4.48Å
740	L	94.9	Very high	80.5	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.7	-172.9	-58.9	175	0	0	0	110.7	L664 W665 L666 F687 V719 V720 M722	L664-L740 HydrophobicContact CD1-CD1 4.35Å; W665-L740 CarbonylContact O-C 3.52Å; W665-L740 VanDerWaalsContact O-CA 3.29Å; W665-L740 WeakPolarHBondContact O-CA 3.43Å; L666-L740 HydrophobicContact CB-CD2 3.94Å; L666-L740 HydrophobicContact CD1-CD2 3.64Å; L666-L740 HydrophobicContact CG-CD2 4.36Å; F687-L740 HydrophobicContact CE1-CD2 3.82Å; F687-L740 HydrophobicContact CZ-CD1 4.36Å; F687-L740 HydrophobicContact CZ-CD2 4.06Å; V719-L740 CarbonylContact C-O 3.54Å; V719-L740 WeakPolarHBondContact CA-O 3.42Å; V719-L740 WeakPolarHBondContact CG1-O 3.44Å; V720-L740 HydrophobicContact CB-CB 4.3Å; V720-L740 PolarHBondContact N-O 3.33Å; V720-L740 PolarHBondContact O-N 2.88Å; M722-L740 HydrophobicContact SD-CD1 3.61Å
741	K	93.7	Very high	82.4	Confident	43 Å²	43	55.6 Å²	55.6	19%	0.187	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.8	168.9	68.4	177.5	-176.4	173.5	0	111.6	W665 W672 P717 D718 V719	W665-K741 HydrophobicContact CB-CG 3.69Å; W665-K741 HydrophobicContact CG-CG 4.23Å; W665-K741 PolarHBondContact N-O 3.28Å; W665-K741 PolarHBondContact O-N 3.49Å; W672-K741 HydrophobicContact CD2-CD 4.23Å; W672-K741 HydrophobicContact CE3-CD 4.11Å; W672-K741 HydrophobicContact CE3-CG 3.9Å; W672-K741 HydrophobicContact CH2-CB 4.39Å; W672-K741 HydrophobicContact CH2-CD 3.96Å; W672-K741 HydrophobicContact CH2-CG 3.99Å; W672-K741 HydrophobicContact CZ2-CD 4.09Å; W672-K741 HydrophobicContact CZ3-CB 4.23Å; W672-K741 HydrophobicContact CZ3-CD 3.97Å; W672-K741 HydrophobicContact CZ3-CG 3.61Å; P717-K741 HydrophobicContact CB-CD 4.08Å; P717-K741 HydrophobicContact CG-CD 3.62Å; D718-K741 WeakPolarHBondContact O-CB 3.48Å; V719-K741 HydrophobicContact CG2-CB 4.41Å
742	A	92.1	Very high	84.4	Confident	9 Å²	9	52.1 Å²	52.1	7%	0.074	29%	0.289	C	S	.	.			trans	-93.5	-171.2	170.1	0	0	0	0	0	111.1	L664 S744 A747 T748	L664-A742 HydrophobicContact CD2-CB 4.28Å; A742-S744 VanDerWaalsContact C-N 3.32Å; A742-A747 HydrophobicContact CB-CB 3.53Å; A742-T748 PolarHBondContact N-OG1 3.29Å
743	N	85.9	Confident	86.4	Confident	119 Å²	119	51.8 Å²	51.8	64%	0.636	27%	0.273	S	S	*	.	S	Bend	trans	-77.2	-16.6	177.4	-69.5	-20	0	0	0	113.5	W665	W665-N743 PolarHBondContact NE1-OD1 3.37Å
744	S	88.1	Confident	88.3	Confident	46 Å²	46	52.3 Å²	52.3	32%	0.322	28%	0.277	S	S	.	.	S	Bend	trans	-141.4	159.2	175.5	86.9	0	0	0	0	109.8	A742 E746 A747 T748	A742-S744 VanDerWaalsContact C-N 3.32Å; S744-E746 VanDerWaalsContact C-N 3.32Å; S744-E746 WeakPolarHBondContact CB-OE2 3.45Å; S744-E746 PolarHBondContact O-N 3.02Å; S744-E746 PolarHBondContact OG-OE2 3.05Å; S744-A747 PolarHBondContact O-N 2.91Å; S744-A747 PolarHBondContact OG-N 2.98Å; S744-T748 PolarHBondContact O-N 3.27Å; S744-T748 PolarHBondContact O-OG1 3.27Å
745	N	90.4	Very high	90.1	Very high	60 Å²	60	45.3 Å²	45.3	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-38.3	179.9	-70.4	-9.8	0	0	0	111.1	P717 D718 A747 T748 D749	P717-N745 WeakPolarHBondContact CA-OD1 3.16Å; D718-N745 HydrophobicContact CB-CB 4.27Å; D718-N745 PolarHBondContact N-OD1 3.23Å; N745-A747 VanDerWaalsContact C-N 3.29Å; N745-A747 PolarHBondContact O-N 3.34Å; N745-T748 WeakPolarHBondContact O-CB 3.23Å; N745-T748 PolarHBondContact O-N 3Å; N745-T748 VanDerWaalsContact O-N 3.15Å; N745-D749 PolarHBondContact O-N 2.82Å
746	E	89.4	Confident	91.3	Very high	142 Å²	142	46.8 Å²	46.8	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-61.7	-39.6	176.2	-52.9	75.2	-162.5	0	0	111.4	S744 D749 G750	S744-E746 VanDerWaalsContact C-N 3.32Å; S744-E746 WeakPolarHBondContact CB-OE2 3.45Å; S744-E746 PolarHBondContact O-N 3.02Å; S744-E746 PolarHBondContact OG-OE2 3.05Å; E746-D749 PolarHBondContact O-N 3.33Å; E746-G750 PolarHBondContact O-N 2.74Å
747	A	89.7	Confident	92.1	Very high	38 Å²	38	49.6 Å²	49.6	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-38.4	176.2	0	0	0	0	0	111.7	A742 S744 N745 D749 G750 W751	A742-A747 HydrophobicContact CB-CB 3.53Å; S744-A747 PolarHBondContact O-N 2.91Å; S744-A747 PolarHBondContact OG-N 2.98Å; N745-A747 VanDerWaalsContact C-N 3.29Å; N745-A747 PolarHBondContact O-N 3.34Å; A747-D749 VanDerWaalsContact C-N 3.3Å; A747-G750 PolarHBondContact O-N 2.81Å; A747-W751 VanDerWaalsContact O-CD1 3.24Å; A747-W751 PolarHBondContact O-N 2.8Å; A747-W751 VanDerWaalsContact O-N 3.08Å
748	T	93.4	Very high	92.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-42.8	173.8	-60.4	0	0	0	0	110.4	D718 V720 A742 S744 N745 W751 Y752	D718-T748 HydrophobicContact CB-CG2 4.16Å; D718-T748 WeakPolarHBondContact O-CG2 3.35Å; V720-T748 HydrophobicContact CG2-CG2 3.87Å; A742-T748 PolarHBondContact N-OG1 3.29Å; S744-T748 PolarHBondContact O-N 3.27Å; S744-T748 PolarHBondContact O-OG1 3.27Å; N745-T748 WeakPolarHBondContact O-CB 3.23Å; N745-T748 PolarHBondContact O-N 3Å; N745-T748 VanDerWaalsContact O-N 3.15Å; T748-W751 WeakPolarHBondContact O-CA 3.28Å; T748-W751 WeakPolarHBondContact O-CB 3.31Å; T748-W751 PolarHBondContact O-N 3.4Å; T748-Y752 PolarHBondContact O-N 3.01Å
749	D	93	Very high	92.4	Very high	57 Å²	57	46.1 Å²	46.1	31%	0.305	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-43.1	177.9	-74.9	-1.1	0	0	0	112.4	K709 N745 E746 A747 W751 Y752 E753	K709-D749 WeakPolarHBondContact CE-OD1 3.41Å; K709-D749 IonicContact NZ-OD1 3.53Å; K709-D749 PolarHBondContact NZ-OD1 2.83Å; K709-D749 IonicContact NZ-OD2 2.85Å; K709-D749 PolarHBondContact NZ-OD2 2.83Å; N745-D749 PolarHBondContact O-N 2.82Å; E746-D749 PolarHBondContact O-N 3.33Å; A747-D749 VanDerWaalsContact C-N 3.3Å; D749-W751 PolarHBondContact O-N 3.48Å; D749-Y752 PolarHBondContact O-N 3.33Å; D749-E753 PolarHBondContact O-N 3.16Å
750	G	93.2	Very high	92.2	Very high	28 Å²	28	47.8 Å²	47.8	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-27	172.8	0	0	0	0	0	113.3	K660 E746 A747 A754	K660-G750 WeakPolarHBondContact CD-O 3.34Å; K660-G750 WeakPolarHBondContact CE-O 3.49Å; E746-G750 PolarHBondContact O-N 2.74Å; A747-G750 PolarHBondContact O-N 2.81Å; G750-A754 VanDerWaalsContact O-CB 3.3Å; G750-A754 WeakPolarHBondContact O-CB 3.48Å; G750-A754 PolarHBondContact O-N 2.79Å
751	W	94.6	Very high	91.8	Very high	10 Å²	10	51.9 Å²	51.9	4%	0.038	27%	0.266	C	S	.	.	H	α-helix	trans	-78.3	-45.5	171.7	-87	104.1	0	0	0	112.1	K660 L664 C677 L679 A747 T748 D749 E753 A754 I755	K660-W751 HydrophobicContact CB-CH2 4.48Å; K660-W751 HydrophobicContact CB-CZ3 4.36Å; K660-W751 HydrophobicContact CD-CD2 3.66Å; K660-W751 HydrophobicContact CD-CE3 3.86Å; K660-W751 HydrophobicContact CD-CG 4Å; K660-W751 HydrophobicContact CD-CZ2 4.44Å; K660-W751 HydrophobicContact CD-CZ3 4.34Å; K660-W751 HydrophobicContact CG-CD2 4.28Å; K660-W751 HydrophobicContact CG-CE3 4.34Å; K660-W751 HydrophobicContact CG-CH2 4.25Å; K660-W751 HydrophobicContact CG-CZ2 4.19Å; K660-W751 HydrophobicContact CG-CZ3 4.33Å; L664-W751 HydrophobicContact CD1-CD2 3.76Å; L664-W751 HydrophobicContact CD1-CE3 3.8Å; L664-W751 HydrophobicContact CD1-CG 4.33Å; L664-W751 HydrophobicContact CD1-CH2 4.1Å; L664-W751 HydrophobicContact CD1-CZ2 4.04Å; L664-W751 HydrophobicContact CD1-CZ3 3.97Å; L664-W751 HydrophobicContact CD2-CB 4.38Å; L664-W751 HydrophobicContact CD2-CD2 3.99Å; L664-W751 HydrophobicContact CD2-CG 3.76Å; L664-W751 HydrophobicContact CG-CD2 4.05Å; L664-W751 HydrophobicContact CG-CG 4.36Å; L664-W751 HydrophobicContact CG-CZ2 4.07Å; C677-W751 HydrophobicContact CB-CH2 3.83Å; C677-W751 HydrophobicContact CB-CZ2 4.29Å; L679-W751 HydrophobicContact CB-CZ3 3.99Å; A747-W751 VanDerWaalsContact O-CD1 3.24Å; A747-W751 PolarHBondContact O-N 2.8Å; A747-W751 VanDerWaalsContact O-N 3.08Å; T748-W751 WeakPolarHBondContact O-CA 3.28Å; T748-W751 WeakPolarHBondContact O-CB 3.31Å; T748-W751 PolarHBondContact O-N 3.4Å; D749-W751 PolarHBondContact O-N 3.48Å; W751-E753 PolarHBondContact O-N 2.93Å; W751-A754 PolarHBondContact O-N 3.09Å; W751-I755 HydrophobicContact CE3-CD1 4.43Å; W751-I755 WeakPolarHBondContact O-CG1 3.5Å; W751-I755 PolarHBondContact O-N 3.13Å
752	Y	95.3	Very high	91.2	Very high	54 Å²	54	53.5 Å²	53.5	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-51.6	175.8	175.7	-107.9	0	0	0	111.5	I707 K709 V720 T748 D749 A754 I755 R756	I707-Y752 HydrophobicContact CD1-CD2 4.45Å; I707-Y752 HydrophobicContact CD1-CE2 4.13Å; I707-Y752 HydrophobicContact CG1-CE2 4.34Å; K709-Y752 HydrophobicContact CB-CD1 4.12Å; K709-Y752 HydrophobicContact CB-CD2 3.82Å; K709-Y752 HydrophobicContact CB-CE1 4.03Å; K709-Y752 HydrophobicContact CB-CE2 3.73Å; K709-Y752 HydrophobicContact CB-CG 4Å; K709-Y752 HydrophobicContact CD-CD1 4.36Å; K709-Y752 HydrophobicContact CG-CG 4.49Å; V720-Y752 HydrophobicContact CG1-CD2 4.22Å; V720-Y752 HydrophobicContact CG2-CD2 4.25Å; V720-Y752 HydrophobicContact CG2-CG 4.45Å; T748-Y752 PolarHBondContact O-N 3.01Å; D749-Y752 PolarHBondContact O-N 3.33Å; Y752-A754 PolarHBondContact O-N 3.18Å; Y752-I755 PolarHBondContact O-N 3.34Å; Y752-R756 WeakPolarHBondContact O-CB 3.37Å; Y752-R756 PolarHBondContact O-N 3Å
753	E	95.2	Very high	90.7	Very high	49 Å²	49	59 Å²	59	23%	0.229	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-35.4	-177.1	-175	59.5	-168.2	0	0	112	D749 W751 R756 R757	D749-E753 PolarHBondContact O-N 3.16Å; W751-E753 PolarHBondContact O-N 2.93Å; E753-R756 PolarHBondContact O-N 3.4Å; E753-R756 IonicContact OE1-CZ 3.72Å; E753-R756 IonicContact OE1-NE 3.41Å; E753-R756 IonicContact OE1-NH2 2.75Å; E753-R756 PolarHBondContact OE1-NH2 2.86Å; E753-R756 IonicContact OE2-CZ 3.8Å; E753-R756 IonicContact OE2-NE 3.86Å; E753-R756 PolarHBondContact OE2-NE 2.94Å; E753-R756 IonicContact OE2-NH2 3.47Å; E753-R756 PolarHBondContact OE2-NH2 3.08Å; E753-R757 HydrophobicContact CG-CG 4.5Å; E753-R757 WeakPolarHBondContact O-CB 3.38Å; E753-R757 VanDerWaalsContact O-CG 3.29Å; E753-R757 WeakPolarHBondContact O-CG 3.42Å; E753-R757 PolarHBondContact O-N 3.42Å; E753-R757 IonicContact OE1-CZ 2.94Å; E753-R757 IonicContact OE1-NE 3.54Å; E753-R757 PolarHBondContact OE1-NE 2.74Å; E753-R757 IonicContact OE1-NH2 2.55Å; E753-R757 PolarHBondContact OE1-NH2 3.25Å
754	A	93.7	Very high	90.3	Very high	16 Å²	16	60.1 Å²	60.1	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-43.9	174.8	0	0	0	0	0	112.1	K660 L679 G750 W751 Y752 T758	K660-A754 HydrophobicContact CB-CB 4.28Å; K660-A754 HydrophobicContact CD-CB 3.7Å; L679-A754 HydrophobicContact CD2-CB 3.97Å; G750-A754 VanDerWaalsContact O-CB 3.3Å; G750-A754 WeakPolarHBondContact O-CB 3.48Å; G750-A754 PolarHBondContact O-N 2.79Å; W751-A754 PolarHBondContact O-N 3.09Å; Y752-A754 PolarHBondContact O-N 3.18Å; A754-T758 WeakPolarHBondContact O-CB 3.33Å; A754-T758 PolarHBondContact O-N 3.16Å; A754-T758 PolarHBondContact O-OG1 3.47Å
755	I	94.7	Very high	89.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-45	176.9	-63.9	168.9	0	0	0	109.9	L679 I685 L702 I707 W751 Y752 T758 L759	L679-I755 HydrophobicContact CD2-CG1 4.23Å; I685-I755 HydrophobicContact CD1-CD1 3.75Å; I685-I755 HydrophobicContact CD1-CG1 4.03Å; L702-I755 HydrophobicContact CD1-CG2 3.81Å; L702-I755 HydrophobicContact CD2-CG2 3.89Å; L702-I755 HydrophobicContact CG-CG2 4.45Å; I707-I755 HydrophobicContact CD1-CB 4.37Å; I707-I755 HydrophobicContact CD1-CG2 3.89Å; I707-I755 HydrophobicContact CG2-CG2 4.02Å; W751-I755 HydrophobicContact CE3-CD1 4.43Å; W751-I755 WeakPolarHBondContact O-CG1 3.5Å; W751-I755 PolarHBondContact O-N 3.13Å; Y752-I755 PolarHBondContact O-N 3.34Å; I755-T758 PolarHBondContact O-N 2.89Å; I755-L759 HydrophobicContact CG2-CD1 4.37Å; I755-L759 PolarHBondContact O-N 2.82Å
756	R	94	Very high	89.5	Confident	95 Å²	95	69.7 Å²	69.7	36%	0.358	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-48.6	178.2	-167.9	-178	78.6	90.5	5	112.1	I707 Y752 E753 L759 L760	I707-R756 HydrophobicContact CD1-CB 3.76Å; I707-R756 HydrophobicContact CD1-CG 4.24Å; Y752-R756 WeakPolarHBondContact O-CB 3.37Å; Y752-R756 PolarHBondContact O-N 3Å; E753-R756 PolarHBondContact O-N 3.4Å; E753-R756 IonicContact OE1-CZ 3.72Å; E753-R756 IonicContact OE1-NE 3.41Å; E753-R756 IonicContact OE1-NH2 2.75Å; E753-R756 PolarHBondContact OE1-NH2 2.86Å; E753-R756 IonicContact OE2-CZ 3.8Å; E753-R756 IonicContact OE2-NE 3.86Å; E753-R756 PolarHBondContact OE2-NE 2.94Å; E753-R756 IonicContact OE2-NH2 3.47Å; E753-R756 PolarHBondContact OE2-NH2 3.08Å; R756-L759 PolarHBondContact O-N 3.41Å; R756-L760 HydrophobicContact CG-CD1 4.49Å; R756-L760 WeakPolarHBondContact O-CG 3.44Å; R756-L760 PolarHBondContact O-N 3.45Å
757	R	92.7	Very high	89.5	Confident	145 Å²	145	65.9 Å²	65.9	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-42.2	176.4	-72.8	179.3	-170	-177.5	2.2	112.1	E753 L759 L760 D761	E753-R757 HydrophobicContact CG-CG 4.5Å; E753-R757 WeakPolarHBondContact O-CB 3.38Å; E753-R757 VanDerWaalsContact O-CG 3.29Å; E753-R757 WeakPolarHBondContact O-CG 3.42Å; E753-R757 PolarHBondContact O-N 3.42Å; E753-R757 IonicContact OE1-CZ 2.94Å; E753-R757 IonicContact OE1-NE 3.54Å; E753-R757 PolarHBondContact OE1-NE 2.74Å; E753-R757 IonicContact OE1-NH2 2.55Å; E753-R757 PolarHBondContact OE1-NH2 3.25Å; R757-L759 VanDerWaalsContact C-N 3.26Å; R757-L759 PolarHBondContact O-N 2.76Å; R757-L760 PolarHBondContact O-N 3.09Å; R757-D761 WeakPolarHBondContact O-CB 3.49Å; R757-D761 PolarHBondContact O-N 3.09Å
758	T	92.2	Very high	89.5	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-36	178	-52.6	0	0	0	0	112	I659 L679 A683 A754 I755 F762	I659-T758 HydrophobicContact CD1-CG2 3.68Å; I659-T758 WeakPolarHBondContact CD1-OG1 3.09Å; L679-T758 HydrophobicContact CD1-CG2 4.34Å; A683-T758 HydrophobicContact CB-CG2 3.99Å; A754-T758 WeakPolarHBondContact O-CB 3.33Å; A754-T758 PolarHBondContact O-N 3.16Å; A754-T758 PolarHBondContact O-OG1 3.47Å; I755-T758 PolarHBondContact O-N 2.89Å; T758-F762 WeakPolarHBondContact O-CB 3.33Å; T758-F762 PolarHBondContact O-N 2.87Å
759	L	90.5	Very high	89.2	Confident	15 Å²	15	71.4 Å²	71.4	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-69.8	-45.7	174.6	-76	172.5	0	0	0	112.1	L702 L703 I707 I755 R756 R757 F762 E763	L702-L759 HydrophobicContact CB-CD2 3.72Å; L702-L759 HydrophobicContact CB-CG 4.29Å; L703-L759 HydrophobicContact CD2-CD2 4.05Å; I707-L759 HydrophobicContact CD1-CD1 3.95Å; I707-L759 HydrophobicContact CG1-CD1 4.09Å; I707-L759 HydrophobicContact CG2-CD1 3.94Å; I755-L759 HydrophobicContact CG2-CD1 4.37Å; I755-L759 PolarHBondContact O-N 2.82Å; R756-L759 PolarHBondContact O-N 3.41Å; R757-L759 VanDerWaalsContact C-N 3.26Å; R757-L759 PolarHBondContact O-N 2.76Å; L759-F762 PolarHBondContact O-N 2.85Å; L759-E763 WeakPolarHBondContact O-CG 3.36Å; L759-E763 PolarHBondContact O-N 3.06Å
760	L	89.1	Confident	89	Confident	67 Å²	67	72.3 Å²	72.3	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-48.2	176.1	-71.5	174.5	0	0	0	111.8	R756 R757 F762 E763 D764	R756-L760 HydrophobicContact CG-CD1 4.49Å; R756-L760 WeakPolarHBondContact O-CG 3.44Å; R756-L760 PolarHBondContact O-N 3.45Å; R757-L760 PolarHBondContact O-N 3.09Å; L760-F762 PolarHBondContact O-N 2.82Å; L760-F762 VanDerWaalsContact O-N 3.13Å; L760-E763 PolarHBondContact O-N 3.28Å; L760-E763 VanDerWaalsContact O-N 3.09Å; L760-D764 PolarHBondContact O-N 2.65Å
761	D	86.3	Confident	88.7	Confident	90 Å²	90	75.2 Å²	75.2	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-23.7	177.8	-70	-8.5	0	0	0	112.6	R757 R765	R757-D761 WeakPolarHBondContact O-CB 3.49Å; R757-D761 PolarHBondContact O-N 3.09Å; D761-R765 WeakPolarHBondContact O-CD 3.39Å; D761-R765 VanDerWaalsContact O-CG 3.26Å; D761-R765 WeakPolarHBondContact O-CG 3.27Å
762	F	82.5	Confident	88.3	Confident	77 Å²	77	79.9 Å²	79.9	34%	0.338	36%	0.357	S	S	.	.	H	α-helix	trans	-87.3	-35.2	176	-159.6	-75.2	0	0	0	111.9	A683 L703 T758 L759 L760 R765	A683-F762 HydrophobicContact CB-CD2 4.01Å; A683-F762 HydrophobicContact CB-CG 4.47Å; L703-F762 HydrophobicContact CD1-CD1 3.81Å; L703-F762 HydrophobicContact CD1-CE1 3.37Å; L703-F762 HydrophobicContact CD1-CE2 4.19Å; L703-F762 HydrophobicContact CD1-CG 4.4Å; L703-F762 HydrophobicContact CD1-CZ 3.59Å; L703-F762 HydrophobicContact CD2-CB 4.14Å; L703-F762 HydrophobicContact CD2-CD1 3.42Å; L703-F762 VanDerWaalsContact CD2-CD1 3.42Å; L703-F762 HydrophobicContact CD2-CE1 3.93Å; L703-F762 HydrophobicContact CD2-CG 3.78Å; L703-F762 HydrophobicContact CG-CD1 4.22Å; L703-F762 HydrophobicContact CG-CE1 4.27Å; T758-F762 WeakPolarHBondContact O-CB 3.33Å; T758-F762 PolarHBondContact O-N 2.87Å; L759-F762 PolarHBondContact O-N 2.85Å; L760-F762 PolarHBondContact O-N 2.82Å; L760-F762 VanDerWaalsContact O-N 3.13Å; F762-R765 PolarHBondContact O-N 2.74Å
763	E	80.9	Confident	87.8	Confident	123 Å²	123	81.8 Å²	81.8	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-70.2	-30.7	174.6	-73.5	177.1	176.3	0	0	112.5	L759 L760 R765	L759-E763 WeakPolarHBondContact O-CG 3.36Å; L759-E763 PolarHBondContact O-N 3.06Å; L760-E763 PolarHBondContact O-N 3.28Å; L760-E763 VanDerWaalsContact O-N 3.09Å; E763-R765 VanDerWaalsContact C-N 3.27Å; E763-R765 PolarHBondContact O-N 3.47Å
764	D	78.1	Confident	87.1	Confident	143 Å²	143	84.6 Å²	84.6	77%	0.765	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.9	174.8	-75.8	-17.5	0	0	0	113.5	L760	L760-D764 PolarHBondContact O-N 2.65Å
765	R	71	Confident	86.6	Confident	238 Å²	238	90.8 Å²	90.8	90%	0.898	40%	0.402	S	S	*	.			trans	-96.7	0	178.4	-74.3	175.9	-174.9	-163.6	2.4	111.6	D761 F762 E763	D761-R765 WeakPolarHBondContact O-CD 3.39Å; D761-R765 VanDerWaalsContact O-CG 3.26Å; D761-R765 WeakPolarHBondContact O-CG 3.27Å; F762-R765 PolarHBondContact O-N 2.74Å; E763-R765 VanDerWaalsContact C-N 3.27Å; E763-R765 PolarHBondContact O-N 3.47Å

Retrieved 765 of 765 residues in 274.3 ms (Link to these results)

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