A0A096NC18_PAPAN Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A096NC18, Species PAPAN (Papio anubis, Olive baboon), Gene SSH3, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	26.6	Very low	200 Å²	200	124.2 Å²	124.2	99%	0.985	72%	0.722	S	S	*	*				0	127.1	0	-69.5	-178.5	174.7	0	0	109.7	E348	M1-E348 PolarHBondContact N-OE2 3.09Å
2	A	19.6	Very low	27	Very low	86 Å²	86	120.3 Å²	120.3	71%	0.711	73%	0.729	S	S	*	*			trans	-154	88.1	163.8	0	0	0	0	0	108.9
3	L	23.1	Very low	27.4	Very low	133 Å²	133	120.9 Å²	120.9	70%	0.696	74%	0.742	S	S	*	*			trans	-61.1	143.6	179	-80.5	160.1	0	0	0	111.5
4	V	20.9	Very low	27.6	Very low	83 Å²	83	117.1 Å²	117.1	50%	0.503	74%	0.739	S	S	.	*			trans	-129.9	92.4	159.5	178.6	0	0	0	0	107.1	R42	V4-R42 VanDerWaalsContact CG2-NH2 3.28Å
5	T	24.7	Very low	27.7	Very low	69 Å²	69	116.1 Å²	116.1	42%	0.423	75%	0.746	S	S	.	*			trans	-69.7	147	171.3	37.9	0	0	0	0	110.7
6	V	23.9	Very low	27.8	Very low	115 Å²	115	116.4 Å²	116.4	70%	0.697	75%	0.752	S	S	*	*			trans	-112.6	67.2	172.2	-173.1	0	0	0	0	108.7
7	S	26.3	Very low	28	Very low	99 Å²	99	117.5 Å²	117.5	69%	0.692	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-72	140	178.3	51.9	0	0	0	0	111.9
8	R	29.2	Very low	29.1	Very low	218 Å²	218	117.3 Å²	117.3	82%	0.823	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-83.4	128.2	166.1	-73.2	-174.7	174.8	-166	0.6	109.5
9	S	28.1	Very low	29	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.4	143.1	172	-54	0	0	0	0	111.7
10	P	31.4	Very low	28.9	Very low	115 Å²	115	116.4 Å²	116.4	75%	0.747	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-71.4	157.5	171	31.3	-35.3	0	0	0	111.6	G12	P10-G12 PolarHBondContact O-N 3.49Å
11	P	31.8	Very low	29.5	Very low	137 Å²	137	116.5 Å²	116.5	89%	0.89	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-71.8	117.4	179.7	28.7	-33.8	0	0	0	111.8
12	G	32	Very low	29.3	Very low	78 Å²	78	118 Å²	118	80%	0.804	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-91.8	138.9	174.1	0	0	0	0	0	112.3	P10	P10-G12 PolarHBondContact O-N 3.49Å
13	S	31.2	Very low	29.6	Very low	128 Å²	128	120.6 Å²	120.6	90%	0.895	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-92.8	142.6	-176.2	-175	0	0	0	0	113.5
14	G	30.1	Very low	29.7	Very low	68 Å²	68	125.6 Å²	125.6	70%	0.701	77%	0.766	S	S	*	*			trans	79.7	91.6	135.7	0	0	0	0	0	119.8
15	A	30.1	Very low	29.9	Very low	102 Å²	102	126.1 Å²	126.1	84%	0.843	78%	0.779	S	S	*	*			trans	48.3	121.5	137.8	0	0	0	0	0	121.7
16	S	29.1	Very low	30.2	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	80%	0.797	S	S	*	*				-173.3	162.8	117.1	49.3	0	0	0	0	111.9
17	T	30.7	Very low	30.3	Very low	135 Å²	135	132.7 Å²	132.7	83%	0.828	81%	0.806	S	S	*	*			trans	-135.1	-173.5	-172.2	53.1	0	0	0	0	110.9
18	P	48	Very low	30.3	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	82%	0.815	S	S	*	*				-128.3	-178.3	-71.8	40.1	-25.6	0	0	0	112.6
19	V	27.8	Very low	30.2	Very low	151 Å²	151	140.9 Å²	140.9	92%	0.915	82%	0.822	S	S	*	*			trans	-174.6	149.6	147.3	137.2	0	0	0	0	110.4
20	G	26	Very low	30	Very low	64 Å²	64	140.1 Å²	140.1	66%	0.66	82%	0.816	S	S	*	*			trans	-126.6	-147.3	173.4	0	0	0	0	0	111.8
21	P	42.9	Very low	29.7	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	82%	0.824	S	S	*	*			cis	-140.4	-168	-3	41.1	-21.3	0	0	0	115.3
22	R	27.6	Very low	29.4	Very low	232 Å²	232	147.3 Å²	147.3	88%	0.875	82%	0.822	S	S	*	*			trans	82.9	151.5	172.1	-61.9	-177.6	-179.4	175.9	0.8	116.2
23	D	26.4	Very low	29.2	Very low	141 Å²	141	152.4 Å²	152.4	75%	0.754	83%	0.825	S	S	*	*			cis	-137.1	-179.4	15.3	-140.4	-34	0	0	0	115.5
24	R	25.4	Very low	29	Very low	238 Å²	238	154.9 Å²	154.9	90%	0.898	81%	0.814	S	S	*	*			trans	-82.5	142.4	-172.3	-69.6	169.1	154.5	-179.4	-6.2	115.2
25	A	26	Very low	29.1	Very low	94 Å²	94	159.8 Å²	159.8	78%	0.777	81%	0.812	S	S	*	*			trans	-156.1	126	147.3	0	0	0	0	0	115
26	V	29.1	Very low	28.8	Very low	131 Å²	131	159 Å²	159	79%	0.794	79%	0.791	S	S	*	*			trans	39.4	114.3	147.8	-170.6	0	0	0	0	120.5
27	Q	25.9	Very low	28.6	Very low	191 Å²	191	157.3 Å²	157.3	89%	0.893	78%	0.779	S	S	*	*			trans	-78.4	138.9	157.9	-67.1	175.3	-22.2	0	0	112.1
28	R	27	Very low	28.6	Very low	235 Å²	235	159.2 Å²	159.2	89%	0.887	78%	0.776	S	S	*	*			trans	-135.4	131.4	152.9	-85.7	-169.1	169	-166.2	-2.9	110	S30	R28-S30 PolarHBondContact O-N 3.43Å
29	R	27.1	Very low	27.7	Very low	254 Å²	254	157.5 Å²	157.5	96%	0.958	77%	0.772	S	S	*	*			trans	-74.3	110.9	-177	-68.4	173.5	172.2	167.7	-5	110.9
30	S	24.7	Very low	27.8	Very low	95 Å²	95	155.3 Å²	155.3	66%	0.664	76%	0.759	S	S	*	*			trans	-86.7	111.2	168.1	43.6	0	0	0	0	110.5	R28 L32	R28-S30 PolarHBondContact O-N 3.43Å; S30-L32 PolarHBondContact O-N 3.48Å; S30-L32 VanDerWaalsContact O-N 3.14Å
31	R	25.5	Very low	27.9	Very low	240 Å²	240	158.8 Å²	158.8	91%	0.906	76%	0.761	S	S	*	*			trans	-85.8	78.3	175.7	-163.2	-177.7	-164.7	-173	4.8	109.3	Q33	R31-Q33 PolarHBondContact O-N 3.36Å
32	L	24.9	Very low	27.2	Very low	162 Å²	162	161.8 Å²	161.8	85%	0.848	76%	0.757	S	S	*	*			trans	-63.4	122.3	-177.5	-66.3	172.9	0	0	0	111.2	S30	S30-L32 PolarHBondContact O-N 3.48Å; S30-L32 VanDerWaalsContact O-N 3.14Å
33	Q	27.6	Very low	27.2	Very low	185 Å²	185	154.5 Å²	154.5	86%	0.864	75%	0.754	S	S	*	*			trans	-105.1	138.7	169.3	-74.8	-174.3	-67.5	0	0	110.5	R31	R31-Q33 PolarHBondContact O-N 3.36Å
34	R	27.7	Very low	27.2	Very low	180 Å²	180	152.7 Å²	152.7	68%	0.679	76%	0.759	S	S	*	*			trans	-61	143.2	174.9	-69.4	167.5	157.1	173.9	-15.1	111.4	E92	R34-E92 IonicContact NH2-OE2 3.37Å
35	R	31.1	Very low	27	Very low	171 Å²	171	147.8 Å²	147.8	65%	0.645	76%	0.755	S	S	*	*				-171.2	160	115.7	-93.9	142.9	-169.2	-92.6	3.8	110.4	S85	R35-S85 PolarHBondContact NH1-OG 3.06Å
36	Q	24.6	Very low	26.9	Very low	86 Å²	86	151.5 Å²	151.5	40%	0.402	76%	0.761	S	S	.	*			trans	-137.9	147	-174.3	-61.6	177.4	9	0	0	110	Q91	Q36-Q91 PolarHBondContact O-NE2 2.92Å
37	S	25.3	Very low	26.7	Very low	86 Å²	86	148.7 Å²	148.7	60%	0.601	76%	0.758	S	S	*	*			trans	-149.7	119.4	155.6	-74.8	0	0	0	0	106.3
38	F	30.1	Very low	26.6	Very low	174 Å²	174	148.4 Å²	148.4	76%	0.763	76%	0.762	S	S	*	*			trans	-151.6	128.1	-177.5	-81.6	-74.3	0	0	0	112.4
39	A	29	Very low	26.6	Very low	79 Å²	79	146.3 Å²	146.3	65%	0.653	76%	0.762	S	S	*	*	S	Bend	trans	-111.5	29.1	160.8	0	0	0	0	0	111.9
40	V	29.7	Very low	26.6	Very low	105 Å²	105	142.4 Å²	142.4	64%	0.636	76%	0.76	S	S	*	*	S	Bend	trans	-146.1	130.7	164.3	169.4	0	0	0	0	107.7
41	L	28.5	Very low	26.7	Very low	136 Å²	136	141.1 Å²	141.1	71%	0.712	76%	0.762	S	S	*	*			trans	-76.3	126.8	173.1	-108.1	120	0	0	0	111.1
42	R	27.7	Very low	26.7	Very low	183 Å²	183	133 Å²	133	69%	0.691	75%	0.753	S	S	*	*			trans	-145.3	137.2	156.5	-87.3	-159.1	177.7	-150	4.5	112.2	V4	V4-R42 VanDerWaalsContact CG2-NH2 3.28Å
43	G	27.7	Very low	26.9	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	75%	0.752	S	S	*	*			trans	91.1	74.5	142.6	0	0	0	0	0	118
44	A	25.9	Very low	26.9	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	75%	0.754	S	S	*	*			trans	-143.6	88.3	144.5	0	0	0	0	0	109.3
45	V	20.9	Very low	26.9	Very low	135 Å²	135	130.4 Å²	130.4	82%	0.818	76%	0.759	S	S	*	*			trans	-96.7	157.3	163.7	174.8	0	0	0	0	107.2
46	L	24.8	Very low	26.7	Very low	172 Å²	172	130 Å²	130	90%	0.901	77%	0.77	S	S	*	*			trans	76.3	127.5	-167.2	-46.5	170.4	0	0	0	112.3
47	G	24.2	Very low	26.8	Very low	71 Å²	71	130.2 Å²	130.2	73%	0.732	79%	0.787	S	S	*	*			cis	177.8	135.8	-8.3	0	0	0	0	0	110.5	Q49	G47-Q49 PolarHBondContact O-N 2.74Å
48	L	25.6	Very low	27	Very low	185 Å²	185	131 Å²	131	97%	0.969	80%	0.799	S	S	*	*			trans	-69	127	172.7	-70.2	165.9	0	0	0	109.1
49	Q	25.5	Very low	26.9	Very low	192 Å²	192	132.2 Å²	132.2	90%	0.897	81%	0.807	S	S	*	*			trans	-113.4	128.7	150.2	-74.7	-170.6	2.5	0	0	107.6	G47	G47-Q49 PolarHBondContact O-N 2.74Å
50	D	28.5	Very low	26.8	Very low	172 Å²	172	133.1 Å²	133.1	92%	0.92	81%	0.814	S	S	*	*			trans	-84.9	162.4	171.5	-174.8	21.6	0	0	0	109.5
51	G	26.4	Very low	26.5	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	82%	0.824	S	S	*	*			trans	105.5	126.4	-171.5	0	0	0	0	0	111.8
52	G	24.9	Very low	27.3	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	82%	0.823	S	S	*	*			cis	126.6	120.3	6.1	0	0	0	0	0	110.1
53	D	28.7	Very low	27.3	Very low	155 Å²	155	131.9 Å²	131.9	83%	0.829	83%	0.828	S	S	*	*			trans	35.3	111	164.2	-51.2	-15.9	0	0	0	118.9
54	N	27.6	Very low	27.8	Very low	166 Å²	166	133.5 Å²	133.5	89%	0.888	82%	0.824	S	S	*	*				-157.4	128.2	124.1	-97	-38.3	0	0	0	109.7
55	D	28.3	Very low	27.9	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	82%	0.819	S	S	*	*			trans	-65.1	148.1	159.7	-60.2	-73.3	0	0	0	109.8
56	D	26.8	Very low	28.4	Very low	162 Å²	162	135.6 Å²	135.6	87%	0.866	82%	0.823	S	S	*	*				-169.8	162.2	103.7	-125.4	-37.6	0	0	0	113.8
57	A	27.8	Very low	28.7	Very low	92 Å²	92	136.9 Å²	136.9	76%	0.76	82%	0.824	S	S	*	*			trans	-52.1	147	-167.7	0	0	0	0	0	119.4
58	A	28.6	Very low	29.2	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	83%	0.826	S	S	*	*				-165	137.9	113.5	0	0	0	0	0	112.6
59	E	27.7	Very low	29.6	Very low	199 Å²	199	136.5 Å²	136.5	93%	0.93	82%	0.82	S	S	*	*			trans	-83.1	145.9	169.9	-58.3	176.7	117.5	0	0	111.7
60	A	26.3	Very low	29.6	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	82%	0.816	S	S	*	*			trans	-177.1	135.7	137.6	0	0	0	0	0	112.9
61	S	23.9	Very low	29.8	Very low	120 Å²	120	135.9 Å²	135.9	84%	0.839	82%	0.816	S	S	*	*			trans	-172.3	160.4	163.5	-77.2	0	0	0	0	108.3
62	P	45.7	Very low	29.9	Very low	107 Å²	107	141.1 Å²	141.1	70%	0.695	82%	0.823	S	S	*	*			cis	-122.5	-170.2	-11.5	38.2	-20.9	0	0	0	112
63	E	27.1	Very low	30.1	Very low	172 Å²	172	144.9 Å²	144.9	80%	0.804	82%	0.821	S	S	*	*				161.3	158.9	129.1	-85.7	-62.6	95.1	0	0	112.1
64	P	38.8	Very low	30.4	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	82%	0.815	S	S	*	*			trans	-111	169.7	-165.3	41.5	-35	0	0	0	116.5
65	A	28.9	Very low	30.4	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	81%	0.808	S	S	*	*			trans	-153.1	113.4	160.6	0	0	0	0	0	108.5
66	E	29.4	Very low	30.3	Very low	193 Å²	193	146.8 Å²	146.8	90%	0.902	81%	0.814	S	S	*	*				80.3	120.3	92.8	-74.4	-163.2	157.5	0	0	115.5
67	E	33.1	Very low	30.4	Very low	198 Å²	198	146.1 Å²	146.1	93%	0.925	81%	0.81	S	S	*	*			trans	-99.3	139.8	172.2	-64.7	-176.3	142.2	0	0	111.4
68	P	32.8	Very low	30.4	Very low	119 Å²	119	150.5 Å²	150.5	77%	0.773	82%	0.815	S	S	*	*			trans	-102.6	158.5	157.8	0.8	20.4	0	0	0	112.4
69	P	34.3	Very low	30.6	Very low	129 Å²	129	151.8 Å²	151.8	84%	0.838	81%	0.812	S	S	*	*			trans	-99.3	179	-156.1	39.3	-38.6	0	0	0	116.6
70	N	27.1	Very low	30.5	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	80%	0.801	S	S	*	*			trans	-53.3	145.9	173.4	-71.7	-11.8	0	0	0	114.7
71	E	31.7	Very low	30.7	Very low	200 Å²	200	153 Å²	153	94%	0.935	80%	0.803	S	S	*	*			trans	-127.7	151.9	144.7	-70.1	-168.8	147.1	0	0	108.6
72	E	28.6	Very low	30.8	Very low	176 Å²	176	158 Å²	158	82%	0.822	80%	0.804	S	S	*	*			trans	-104.7	136.1	-164.6	-63	179.6	134	0	0	114.1
73	E	29.1	Very low	30.3	Very low	150 Å²	150	161.6 Å²	161.6	70%	0.701	81%	0.811	S	S	*	*			trans	67.6	167.8	149	-71.5	-99.1	149.2	0	0	118.2	H75	E73-H75 IonicContact OE2-CD2 3.85Å; E73-H75 IonicContact OE2-NE2 3.62Å
74	P	34.2	Very low	30.7	Very low	108 Å²	108	157.4 Å²	157.4	70%	0.701	81%	0.814	S	S	*	*			cis	-126.2	167.4	2.9	40.8	-26.5	0	0	0	117
75	H	28.7	Very low	30.7	Very low	161 Å²	161	155.7 Å²	155.7	75%	0.745	81%	0.805	S	S	*	*			trans	-11.4	133.5	163.7	-62.7	-80.8	0	0	0	120.9	E73	E73-H75 IonicContact OE2-CD2 3.85Å; E73-H75 IonicContact OE2-NE2 3.62Å
76	R	26.6	Very low	31.5	Very low	242 Å²	242	154.7 Å²	154.7	91%	0.913	79%	0.785	S	S	*	*			trans	-141.8	146.1	133.7	-80.4	-160.4	172	-171.7	-2.7	111.5
77	D	28	Very low	32.5	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	76%	0.76	S	S	*	*			trans	-60.8	139.3	177.2	-72.7	-65.6	0	0	0	113.8
78	Q	28.9	Very low	33.9	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	74%	0.736	S	S	*	*			trans	-157.6	113.6	143.1	-113.7	141.4	110.6	0	0	110.4	D80	Q78-D80 PolarHBondContact O-N 2.79Å
79	T	32.6	Very low	35.4	Very low	130 Å²	130	143.4 Å²	143.4	80%	0.798	73%	0.733	S	S	*	*			trans	-75.6	100.4	174.6	50.5	0	0	0	0	110
80	D	25.8	Very low	37	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	71%	0.712	S	S	*	*			trans	-106.1	111.3	-177.5	-166.8	28.2	0	0	0	112.1	Q78 R82	Q78-D80 PolarHBondContact O-N 2.79Å; D80-R82 PolarHBondContact O-N 3.13Å
81	F	29.4	Very low	39	Very low	192 Å²	192	136 Å²	136	84%	0.842	68%	0.681	S	S	*	*			trans	-76.3	83.3	-176.7	-95.1	-97.5	0	0	0	111.5	Q83	F81-Q83 PolarHBondContact O-N 3.4Å
82	R	26.8	Very low	41.1	Very low	226 Å²	226	132.2 Å²	132.2	85%	0.853	66%	0.664	S	S	*	*			trans	-73	87.4	169.9	-73.8	-166.5	178.4	-170.7	3.3	112	D80	D80-R82 PolarHBondContact O-N 3.13Å
83	Q	35.2	Very low	43.6	Very low	182 Å²	182	126.4 Å²	126.4	85%	0.85	64%	0.637	S	S	*	*			trans	-60.6	146.2	163.2	-85.6	-177.1	-21.8	0	0	111.5	F81	F81-Q83 PolarHBondContact O-N 3.4Å
84	G	35.3	Very low	46	Very low	84 Å²	84	122.4 Å²	122.4	87%	0.866	62%	0.618	S	S	*	*			trans	-64.3	132.3	-169.3	0	0	0	0	0	114
85	S	38.4	Very low	48.3	Very low	77 Å²	77	124.2 Å²	124.2	54%	0.538	61%	0.611	S	S	.	*			trans	-140.6	133.1	151.9	68.6	0	0	0	0	108.3	R35	R35-S85 PolarHBondContact NH1-OG 3.06Å
86	Q	45.1	Very low	51	Low	68 Å²	68	120.5 Å²	120.5	32%	0.318	59%	0.59	S	S	.	*			trans	-59.2	142.5	-174.1	-56.3	-169.7	23.2	0	0	110.7	E289	Q86-E289 PolarHBondContact NE2-OE2 2.88Å
87	S	51.2	Low	54	Low	56 Å²	56	109 Å²	109	39%	0.392	55%	0.547	S	S	.	.			trans	-63.5	144.5	-178.5	64.2	0	0	0	0	110.6	Q89 K90	S87-Q89 PolarHBondContact O-N 3.34Å; S87-Q89 VanDerWaalsContact O-N 3.11Å; S87-K90 PolarHBondContact O-N 3.45Å; S87-K90 VanDerWaalsContact O-N 3.08Å
88	P	61.5	Low	56.8	Low	64 Å²	64	104.8 Å²	104.8	42%	0.416	52%	0.524	S	S	.	.	H	α-helix	trans	-56	-32.1	-179.9	-27.2	35.5	0	0	0	113.5	Q91 E92	P88-Q91 PolarHBondContact O-N 3.07Å; P88-E92 PolarHBondContact O-N 3.1Å
89	Q	65.3	Low	59.6	Low	153 Å²	153	101 Å²	101	72%	0.715	51%	0.506	S	S	*	.	H	α-helix	trans	-60.9	-44.1	177.1	-69.4	158.6	-52.4	0	0	112.3	S87 Q91 E92 E93	S87-Q89 PolarHBondContact O-N 3.34Å; S87-Q89 VanDerWaalsContact O-N 3.11Å; Q89-Q91 VanDerWaalsContact C-N 3.26Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q89-E92 PolarHBondContact O-N 3.15Å; Q89-E92 VanDerWaalsContact O-N 3.13Å; Q89-E93 WeakPolarHBondContact O-CB 3.38Å; Q89-E93 PolarHBondContact O-N 3.48Å
90	K	67.5	Low	62.3	Low	89 Å²	89	96 Å²	96	39%	0.387	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-33.4	-179.9	-169.3	176.9	-178.6	-176.3	0	112.2	S87 Q94	S87-K90 PolarHBondContact O-N 3.45Å; S87-K90 VanDerWaalsContact O-N 3.08Å; K90-Q94 WeakPolarHBondContact O-CB 3.32Å; K90-Q94 VanDerWaalsContact O-CG 3.27Å; K90-Q94 WeakPolarHBondContact O-CG 3.32Å; K90-Q94 PolarHBondContact O-N 3.17Å
91	Q	69.2	Low	65.4	Low	36 Å²	36	89.8 Å²	89.8	17%	0.168	44%	0.441	C	S	.	.	H	α-helix	trans	-72.3	-36.4	176.2	-54.3	-159.6	-33	0	0	112	Q36 P88 Q89 R95	Q36-Q91 PolarHBondContact O-NE2 2.92Å; P88-Q91 PolarHBondContact O-N 3.07Å; Q89-Q91 VanDerWaalsContact C-N 3.26Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q91-R95 WeakPolarHBondContact O-CB 3.49Å; Q91-R95 WeakPolarHBondContact O-CD 3.24Å; Q91-R95 WeakPolarHBondContact O-CG 3.32Å; Q91-R95 PolarHBondContact O-N 3.48Å
92	E	76.9	Confident	68.2	Low	121 Å²	121	84.6 Å²	84.6	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-69.3	-41.8	176.7	-160.6	131.2	-131.5	0	0	111.1	R34 P88 Q89 R95 R96	R34-E92 IonicContact NH2-OE2 3.37Å; P88-E92 PolarHBondContact O-N 3.1Å; Q89-E92 PolarHBondContact O-N 3.15Å; Q89-E92 VanDerWaalsContact O-N 3.13Å; E92-R95 PolarHBondContact O-N 3.34Å; E92-R96 WeakPolarHBondContact O-CB 3.38Å; E92-R96 PolarHBondContact O-N 2.89Å
93	E	80.4	Confident	71.1	Confident	54 Å²	54	79.5 Å²	79.5	25%	0.252	41%	0.41	S	S	.	.	H	α-helix	trans	-56.8	-54.2	171.6	-175.3	-165.3	145.3	0	0	112.3	Q89 R95 R96 H97 S154	Q89-E93 WeakPolarHBondContact O-CB 3.38Å; Q89-E93 PolarHBondContact O-N 3.48Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 3.47Å; E93-R96 WeakPolarHBondContact O-CB 3.3Å; E93-R96 PolarHBondContact O-N 3.26Å; E93-R96 VanDerWaalsContact O-N 3.08Å; E93-H97 VanDerWaalsContact CG-CE1 3.41Å; E93-H97 WeakPolarHBondContact CG-CE1 3.32Å; E93-H97 PolarHBondContact O-N 3.36Å; E93-H97 IonicContact OE1-CE1 3.3Å; E93-H97 PolarHBondContact OE1-CE1 3.01Å; E93-S154 WeakPolarHBondContact CG-O 3.28Å; E93-S154 WeakPolarHBondContact OE1-CB 3.25Å
94	Q	80.1	Confident	73.6	Confident	65 Å²	65	73.5 Å²	73.5	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-58.5	-41.4	178.9	-75.9	171.7	-22.2	0	0	112.6	K90 R96 H97 L98	K90-Q94 WeakPolarHBondContact O-CB 3.32Å; K90-Q94 VanDerWaalsContact O-CG 3.27Å; K90-Q94 WeakPolarHBondContact O-CG 3.32Å; K90-Q94 PolarHBondContact O-N 3.17Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.19Å; Q94-H97 PolarHBondContact O-N 3.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.47Å; Q94-L98 PolarHBondContact O-N 3.31Å
95	R	80.8	Confident	76.1	Confident	146 Å²	146	70.6 Å²	70.6	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-64.3	-36.5	176.6	-70.6	168.3	70.6	85.6	13.1	112	Q91 E92 E93 H99	Q91-R95 WeakPolarHBondContact O-CB 3.49Å; Q91-R95 WeakPolarHBondContact O-CD 3.24Å; Q91-R95 WeakPolarHBondContact O-CG 3.32Å; Q91-R95 PolarHBondContact O-N 3.48Å; E92-R95 PolarHBondContact O-N 3.34Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 3.47Å; R95-H99 PolarHBondContact O-N 2.94Å
96	R	86.8	Confident	78.4	Confident	84 Å²	84	68.9 Å²	68.9	32%	0.317	33%	0.33	S	S	.	.	H	α-helix	trans	-67.8	-43.6	175.2	-169.7	-173.4	71.5	117.5	16	111.7	E92 E93 Q94 H99 L100 S154 S155 S156	E92-R96 WeakPolarHBondContact O-CB 3.38Å; E92-R96 PolarHBondContact O-N 2.89Å; E93-R96 WeakPolarHBondContact O-CB 3.3Å; E93-R96 PolarHBondContact O-N 3.26Å; E93-R96 VanDerWaalsContact O-N 3.08Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.19Å; R96-H99 PolarHBondContact O-N 3.46Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.29Å; R96-S154 PolarHBondContact NH2-O 3.3Å; R96-S155 PolarHBondContact NH1-O 3.38Å; R96-S155 PolarHBondContact NH2-O 2.97Å; R96-S156 VanDerWaalsContact CZ-O 3.26Å; R96-S156 PolarHBondContact NH1-O 3.32Å; R96-S156 VanDerWaalsContact NH1-O 3.13Å; R96-S156 PolarHBondContact NH2-O 3.5Å
97	H	88.3	Confident	80.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175.5	-63	166	0	0	0	111.8	E93 Q94 H99 L100 M101 Y127 F151 S154	E93-H97 VanDerWaalsContact CG-CE1 3.41Å; E93-H97 WeakPolarHBondContact CG-CE1 3.32Å; E93-H97 PolarHBondContact O-N 3.36Å; E93-H97 IonicContact OE1-CE1 3.3Å; E93-H97 PolarHBondContact OE1-CE1 3.01Å; Q94-H97 PolarHBondContact O-N 3.26Å; H97-H99 VanDerWaalsContact C-N 3.31Å; H97-H99 PolarHBondContact O-N 3.44Å; H97-L100 PolarHBondContact O-N 3.36Å; H97-M101 HydrophobicContact CB-CE 4.45Å; H97-M101 WeakPolarHBondContact O-CG 3.22Å; H97-M101 PolarHBondContact O-N 3.12Å; H97-Y127 HydrophobicContact CB-CE2 4.39Å; H97-Y127 PolarHBondContact ND1-OH 3.1Å; H97-F151 HydrophobicContact CB-CE1 3.95Å; H97-F151 HydrophobicContact CB-CE2 4.3Å; H97-F151 HydrophobicContact CB-CZ 3.64Å; H97-F151 AromaticContact CD2-CD1 3.83Å; H97-F151 AromaticContact CD2-CE1 3.44Å; H97-F151 VanDerWaalsContact CD2-CE1 3.44Å; H97-F151 WeakPolarHBondContact CD2-CE1 3.48Å; H97-F151 AromaticContact CG-CE1 3.74Å; H97-F151 AromaticContact CG-CZ 3.9Å; H97-S154 PolarHBondContact CE1-O 3.1Å; H97-S154 PolarHBondContact NE2-O 3.41Å; H97-S154 VanDerWaalsContact NE2-O 3.14Å
98	L	86.9	Confident	81.6	Confident	61 Å²	61	73.5 Å²	73.5	32%	0.319	36%	0.357	S	S	.	.	H	α-helix	trans	-57.7	-42	172.5	-76.4	165.3	0	0	0	112.3	Q94 M101 V102 A114	Q94-L98 WeakPolarHBondContact O-CG 3.47Å; Q94-L98 PolarHBondContact O-N 3.31Å; L98-M101 HydrophobicContact CD2-CE 4.05Å; L98-M101 HydrophobicContact CG-CE 4.39Å; L98-M101 PolarHBondContact O-N 3.01Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.31Å; L98-A114 HydrophobicContact CD2-CB 4.02Å
99	H	87.3	Confident	82.8	Confident	102 Å²	102	71.1 Å²	71.1	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177.1	-171.1	77.5	0	0	0	112.4	R95 R96 H97 V102 Q103	R95-H99 PolarHBondContact O-N 2.94Å; R96-H99 PolarHBondContact O-N 3.46Å; H97-H99 VanDerWaalsContact C-N 3.31Å; H97-H99 PolarHBondContact O-N 3.44Å; H99-V102 PolarHBondContact O-N 3.25Å; H99-Q103 PolarHBondContact CD2-NE2 3.16Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.33Å; H99-Q103 PolarHBondContact O-N 3.24Å
100	L	89.2	Confident	83.7	Confident	25 Å²	25	66.1 Å²	66.1	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-40	177.3	-68.6	170.1	0	0	0	112.1	R96 H97 Q103 L104 F151 P157	R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.29Å; H97-L100 PolarHBondContact O-N 3.36Å; L100-Q103 WeakPolarHBondContact O-CB 3.39Å; L100-Q103 PolarHBondContact O-N 2.98Å; L100-Q103 VanDerWaalsContact O-N 3.13Å; L100-L104 PolarHBondContact O-N 3.14Å; L100-F151 HydrophobicContact CB-CE1 4.35Å; L100-F151 HydrophobicContact CB-CZ 4.47Å; L100-F151 HydrophobicContact CD1-CE1 4.01Å; L100-P157 VanDerWaalsContact CD2-O 3.26Å; L100-P157 WeakPolarHBondContact CD2-O 3.47Å
101	M	91.6	Very high	84.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175.4	-71.5	-174.3	-65	0	0	111.9	H97 L98 Q103 L104 L105 I111 A114 Y127 L129 V149 F151	H97-M101 HydrophobicContact CB-CE 4.45Å; H97-M101 WeakPolarHBondContact O-CG 3.22Å; H97-M101 PolarHBondContact O-N 3.12Å; L98-M101 HydrophobicContact CD2-CE 4.05Å; L98-M101 HydrophobicContact CG-CE 4.39Å; L98-M101 PolarHBondContact O-N 3.01Å; M101-Q103 PolarHBondContact O-N 3.2Å; M101-L104 WeakPolarHBondContact O-CB 3.47Å; M101-L104 PolarHBondContact O-N 3.44Å; M101-L105 WeakPolarHBondContact O-CD1 3.45Å; M101-I111 HydrophobicContact CB-CD1 4.38Å; M101-A114 HydrophobicContact CE-CB 4.28Å; M101-Y127 HydrophobicContact CE-CD1 4.2Å; M101-Y127 HydrophobicContact CE-CD2 4.28Å; M101-Y127 HydrophobicContact CE-CG 4.06Å; M101-Y127 HydrophobicContact SD-CD1 4.46Å; M101-Y127 HydrophobicContact SD-CD2 3.92Å; M101-Y127 HydrophobicContact SD-CG 3.77Å; M101-L129 HydrophobicContact CB-CD1 4.23Å; M101-L129 HydrophobicContact CE-CD2 4.36Å; M101-L129 HydrophobicContact SD-CD1 4.33Å; M101-L129 HydrophobicContact SD-CD2 3.77Å; M101-L129 HydrophobicContact SD-CG 4.39Å; M101-V149 HydrophobicContact CG-CG1 4.12Å; M101-V149 HydrophobicContact SD-CB 4.4Å; M101-V149 HydrophobicContact SD-CG1 4.37Å; M101-F151 HydrophobicContact CG-CE2 4Å; M101-F151 HydrophobicContact CG-CZ 3.93Å; M101-F151 HydrophobicContact SD-CE2 4Å; M101-F151 HydrophobicContact SD-CZ 4.41Å
102	V	88.3	Confident	85.2	Confident	82 Å²	82	65.9 Å²	65.9	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-27.6	174.3	170.5	0	0	0	0	112.4	L98 H99 L104 L105 I111	L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.31Å; H99-V102 PolarHBondContact O-N 3.25Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 2.99Å; V102-L105 PolarHBondContact O-N 3.45Å; V102-I111 HydrophobicContact CG2-CD1 3.76Å
103	Q	87.4	Confident	85.8	Confident	119 Å²	119	61.3 Å²	61.3	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-72.1	-17.1	173.4	-68.3	-179.9	12.4	0	0	114	H99 L100 M101	H99-Q103 PolarHBondContact CD2-NE2 3.16Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.33Å; H99-Q103 PolarHBondContact O-N 3.24Å; L100-Q103 WeakPolarHBondContact O-CB 3.39Å; L100-Q103 PolarHBondContact O-N 2.98Å; L100-Q103 VanDerWaalsContact O-N 3.13Å; M101-Q103 PolarHBondContact O-N 3.2Å
104	L	87.4	Confident	86.2	Confident	57 Å²	57	60.4 Å²	60.4	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-80.8	-18.7	174.5	-62.7	-177.5	0	0	0	113.3	L100 M101 V102 V149	L100-L104 PolarHBondContact O-N 3.14Å; M101-L104 WeakPolarHBondContact O-CB 3.47Å; M101-L104 PolarHBondContact O-N 3.44Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 2.99Å; L104-V149 HydrophobicContact CD1-CG1 4.1Å; L104-V149 HydrophobicContact CD1-CG2 4.25Å
105	L	87.8	Confident	86.7	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.12	28%	0.284	C	S	.	.	S	Bend	trans	-86.5	158.7	-174	-85.6	76.7	0	0	0	113	M101 V102 D109 I111 L129 V131 Y232	M101-L105 WeakPolarHBondContact O-CD1 3.45Å; V102-L105 PolarHBondContact O-N 3.45Å; L105-D109 HydrophobicContact CB-CB 4.39Å; L105-D109 HydrophobicContact CD2-CB 3.93Å; L105-D109 WeakPolarHBondContact CD2-O 3.45Å; L105-D109 HydrophobicContact CG-CB 4.39Å; L105-I111 HydrophobicContact CD1-CD1 4.14Å; L105-I111 HydrophobicContact CD1-CG1 4.19Å; L105-I111 HydrophobicContact CD2-CD1 4.31Å; L105-I111 HydrophobicContact CD2-CG1 3.53Å; L105-L129 HydrophobicContact CD1-CD1 4.25Å; L105-V131 HydrophobicContact CD2-CG1 3.7Å; L105-V131 HydrophobicContact CD2-CG2 4.01Å; L105-V131 HydrophobicContact CG-CG1 4.49Å; L105-Y232 VanDerWaalsContact CA-OH 3.3Å; L105-Y232 WeakPolarHBondContact CA-OH 3.26Å
106	R	86.8	Confident	87.3	Confident	40 Å²	40	52.3 Å²	52.3	15%	0.151	27%	0.266	C	S	.	.			trans	-68.4	153.1	166.8	-60.1	-173.3	-62.3	156.2	9.5	110.5	Q108 D109 T133 E135 H231 Y232	R106-Q108 PolarHBondContact O-N 2.83Å; R106-D109 HydrophobicContact CB-CB 4.41Å; R106-D109 WeakPolarHBondContact CB-OD2 3.39Å; R106-D109 WeakPolarHBondContact CG-OD2 3.37Å; R106-D109 IonicContact CZ-OD1 3.7Å; R106-D109 IonicContact CZ-OD2 2.74Å; R106-D109 IonicContact NE-OD1 3.03Å; R106-D109 PolarHBondContact NE-OD1 2.87Å; R106-D109 IonicContact NE-OD2 3.81Å; R106-D109 PolarHBondContact NE-OD2 3.24Å; R106-D109 IonicContact NH2-OD1 3.58Å; R106-D109 PolarHBondContact NH2-OD1 3.06Å; R106-D109 IonicContact NH2-OD2 2.89Å; R106-D109 PolarHBondContact O-N 2.93Å; R106-D109 VanDerWaalsContact O-N 3.08Å; R106-T133 PolarHBondContact NH2-OG1 3.44Å; R106-E135 IonicContact CZ-OE1 3.96Å; R106-E135 IonicContact NH1-OE1 2.64Å; R106-E135 PolarHBondContact NH1-OE1 2.69Å; R106-E135 IonicContact NH2-OE1 2.96Å; R106-E135 PolarHBondContact NH2-OE1 3.37Å; R106-H231 WeakPolarHBondContact CD-ND1 3.36Å; R106-H231 WeakPolarHBondContact CG-CE1 3.32Å; R106-H231 WeakPolarHBondContact CG-ND1 3.37Å; R106-Y232 PolarHBondContact N-OH 3.09Å
107	P	81.4	Confident	87.4	Confident	127 Å²	127	48.7 Å²	48.7	83%	0.825	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.7	172.7	-24.4	34.7	0	0	0	116.1
108	Q	83	Confident	87.5	Confident	95 Å²	95	53 Å²	53	44%	0.444	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.2	179.7	-61.1	77.3	15.4	0	0	113.7	R106 T133 Q134	R106-Q108 PolarHBondContact O-N 2.83Å; Q108-T133 PolarHBondContact O-OG1 2.99Å; Q108-Q134 PolarHBondContact O-N 3.45Å; Q108-Q134 VanDerWaalsContact O-N 3.15Å
109	D	86.7	Confident	87.3	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	-171.5	-62.7	-19.2	0	0	0	111.1	L105 R106 V131 S132 T133 Y232	L105-D109 HydrophobicContact CB-CB 4.39Å; L105-D109 HydrophobicContact CD2-CB 3.93Å; L105-D109 WeakPolarHBondContact CD2-O 3.45Å; L105-D109 HydrophobicContact CG-CB 4.39Å; R106-D109 HydrophobicContact CB-CB 4.41Å; R106-D109 WeakPolarHBondContact CB-OD2 3.39Å; R106-D109 WeakPolarHBondContact CG-OD2 3.37Å; R106-D109 IonicContact CZ-OD1 3.7Å; R106-D109 IonicContact CZ-OD2 2.74Å; R106-D109 IonicContact NE-OD1 3.03Å; R106-D109 PolarHBondContact NE-OD1 2.87Å; R106-D109 IonicContact NE-OD2 3.81Å; R106-D109 PolarHBondContact NE-OD2 3.24Å; R106-D109 IonicContact NH2-OD1 3.58Å; R106-D109 PolarHBondContact NH2-OD1 3.06Å; R106-D109 IonicContact NH2-OD2 2.89Å; R106-D109 PolarHBondContact O-N 2.93Å; R106-D109 VanDerWaalsContact O-N 3.08Å; D109-V131 HydrophobicContact CB-CG1 3.78Å; D109-S132 WeakPolarHBondContact CA-O 3.37Å; D109-T133 WeakPolarHBondContact OD1-CB 3.47Å; D109-T133 PolarHBondContact OD1-OG1 3.35Å; D109-Y232 VanDerWaalsContact OD2-CE2 3.31Å; D109-Y232 WeakPolarHBondContact OD2-CE2 3.26Å; D109-Y232 PolarHBondContact OD2-OH 3.13Å
110	D	84.1	Confident	87	Confident	48 Å²	48	50.1 Å²	50.1	26%	0.257	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.5	178.9	-77.3	-59.6	0	0	0	111.4	R112 V131 S132 Q134	D110-R112 PolarHBondContact O-N 3.36Å; D110-V131 WeakPolarHBondContact O-CA 3.41Å; D110-S132 PolarHBondContact N-O 3.04Å; D110-S132 PolarHBondContact O-N 2.95Å; D110-Q134 PolarHBondContact OD2-NE2 2.85Å
111	I	87.1	Confident	86.4	Confident	47 Å²	47	54.2 Å²	54.2	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.5	168.1	-56	179.1	0	0	0	108.6	M101 V102 L105 L113 A114 L129	M101-I111 HydrophobicContact CB-CD1 4.38Å; V102-I111 HydrophobicContact CG2-CD1 3.76Å; L105-I111 HydrophobicContact CD1-CD1 4.14Å; L105-I111 HydrophobicContact CD1-CG1 4.19Å; L105-I111 HydrophobicContact CD2-CD1 4.31Å; L105-I111 HydrophobicContact CD2-CG1 3.53Å; I111-L113 VanDerWaalsContact CG2-O 3.29Å; I111-L113 WeakPolarHBondContact CG2-O 3.3Å; I111-A114 HydrophobicContact CG2-CB 4.32Å; I111-L129 HydrophobicContact CD1-CD1 4.17Å; I111-L129 HydrophobicContact CD1-CD2 4.48Å; I111-L129 HydrophobicContact CG2-CD2 4.2Å
112	R	81.8	Confident	85.6	Confident	74 Å²	74	59.5 Å²	59.5	28%	0.279	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-28.6	174.8	-58.9	-158.7	-73.8	-170.6	-5.1	112.9	D110 V130 S132 D142 T144 V206	D110-R112 PolarHBondContact O-N 3.36Å; R112-V130 PolarHBondContact N-O 2.87Å; R112-S132 WeakPolarHBondContact CD-OG 3.37Å; R112-S132 VanDerWaalsContact CG-OG 3.27Å; R112-S132 WeakPolarHBondContact CG-OG 3.37Å; R112-S132 PolarHBondContact NE-OG 2.8Å; R112-D142 IonicContact CZ-OD1 2.74Å; R112-D142 IonicContact CZ-OD2 3.64Å; R112-D142 IonicContact NH1-OD1 3.34Å; R112-D142 PolarHBondContact NH1-OD1 3.37Å; R112-D142 VanDerWaalsContact NH1-OD1 3.1Å; R112-D142 IonicContact NH1-OD2 2.81Å; R112-D142 PolarHBondContact NH1-OD2 3.14Å; R112-D142 IonicContact NH2-OD2 3.62Å; R112-T144 PolarHBondContact NH2-OG1 2.86Å; R112-V206 HydrophobicContact CB-CG1 4.17Å
113	L	88.3	Confident	85.2	Confident	24 Å²	24	59.9 Å²	59.9	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144	173.3	-173.8	69.5	0	0	0	110.6	I111 A115 L129 V130 T203 V206	I111-L113 VanDerWaalsContact CG2-O 3.29Å; I111-L113 WeakPolarHBondContact CG2-O 3.3Å; L113-A115 HydrophobicContact CD2-CB 4.22Å; L113-A115 HydrophobicContact CG-CB 4.45Å; L113-L129 WeakPolarHBondContact O-CA 2.92Å; L113-V130 HydrophobicContact CB-CB 4.22Å; L113-V130 HydrophobicContact CB-CG2 4.07Å; L113-V130 HydrophobicContact CD2-CG2 4.43Å; L113-V130 PolarHBondContact N-O 2.94Å; L113-V130 PolarHBondContact O-N 3.4Å; L113-T203 HydrophobicContact CD2-CG2 4.13Å; L113-V206 HydrophobicContact CB-CB 4.48Å; L113-V206 HydrophobicContact CB-CG1 4.31Å; L113-V206 HydrophobicContact CB-CG2 4.33Å; L113-V206 HydrophobicContact CD2-CB 4.34Å; L113-V206 HydrophobicContact CD2-CG2 4.3Å
114	A	90.3	Very high	85.1	Confident	35 Å²	35	57.4 Å²	57.4	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	107.4	163.8	0	0	0	0	0	109.1	L98 M101 I111 L129	L98-A114 HydrophobicContact CD2-CB 4.02Å; M101-A114 HydrophobicContact CE-CB 4.28Å; I111-A114 HydrophobicContact CG2-CB 4.32Å; A114-L129 HydrophobicContact CB-CD2 3.44Å; A114-L129 VanDerWaalsContact CB-CD2 3.44Å
115	A	90.4	Very high	85.2	Confident	2 Å²	2	56 Å²	56	2%	0.017	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.1	-176.6	0	0	0	0	0	110.5	L113 Y127 L128 T199 T203	L113-A115 HydrophobicContact CD2-CB 4.22Å; L113-A115 HydrophobicContact CG-CB 4.45Å; A115-Y127 CarbonylContact O-C 3.58Å; A115-Y127 WeakPolarHBondContact O-CA 3.43Å; A115-L128 HydrophobicContact CB-CB 4.5Å; A115-L128 PolarHBondContact N-O 3.44Å; A115-L128 PolarHBondContact O-N 3.09Å; A115-T199 HydrophobicContact CB-CG2 3.84Å; A115-T203 HydrophobicContact CB-CG2 4.39Å; A115-T203 WeakPolarHBondContact CB-OG1 3.36Å
116	Q	92	Very high	85.4	Confident	39 Å²	39	55.5 Å²	55.5	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.4	177.3	-168.9	171.5	-16.4	0	0	110.7	R126 Y127 I195	Q116-R126 WeakPolarHBondContact CA-O 3.15Å; Q116-Y127 HydrophobicContact CB-CD1 3.93Å; Q116-Y127 HydrophobicContact CB-CE1 3.66Å; Q116-Y127 HydrophobicContact CG-CD1 4.31Å; Q116-Y127 HydrophobicContact CG-CE1 3.87Å; Q116-Y127 PolarHBondContact OE1-OH 3.31Å; Q116-I195 HydrophobicContact CB-CD1 3.83Å; Q116-I195 HydrophobicContact CB-CG1 4.07Å; Q116-I195 HydrophobicContact CB-CG2 4.4Å; Q116-I195 HydrophobicContact CG-CD1 4.01Å; Q116-I195 HydrophobicContact CG-CG1 4.44Å; Q116-I195 HydrophobicContact CG-CG2 4.01Å; Q116-I195 PolarHBondContact O-N 3.48Å; Q116-I195 VanDerWaalsContact O-N 3.1Å
117	L	90.4	Very high	85.7	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	156	179.2	-53.8	-175.1	0	0	0	112	R126 L128 F192 K193 P194 I195 W246	L117-R126 HydrophobicContact CB-CB 4.19Å; L117-R126 PolarHBondContact N-O 2.72Å; L117-L128 HydrophobicContact CD1-CB 4.17Å; L117-L128 HydrophobicContact CD2-CB 4.26Å; L117-L128 HydrophobicContact CG-CB 4.28Å; L117-F192 HydrophobicContact CD1-CB 4.29Å; L117-F192 HydrophobicContact CD1-CD1 3.83Å; L117-F192 HydrophobicContact CD2-CB 4.23Å; L117-K193 CarbonylContact C-O 3.57Å; L117-K193 WeakPolarHBondContact CA-O 3.33Å; L117-K193 WeakPolarHBondContact CB-O 3.49Å; L117-P194 HydrophobicContact CD2-CG 4.35Å; L117-I195 WeakPolarHBondContact O-CG2 3.5Å; L117-W246 HydrophobicContact CD1-CH2 3.77Å; L117-W246 HydrophobicContact CD1-CZ3 3.62Å
118	E	88.5	Confident	86.4	Confident	90 Å²	90	48.3 Å²	48.3	42%	0.421	26%	0.26	S	S	.	.			trans	-58.3	141.3	160.4	-61.2	-178.2	179.7	0	0	109.7	K193	E118-K193 HydrophobicContact CB-CB 3.98Å; E118-K193 HydrophobicContact CG-CB 4.15Å; E118-K193 PolarHBondContact N-O 2.77Å
119	A	84.6	Confident	86.9	Confident	24 Å²	24	43.9 Å²	43.9	20%	0.198	24%	0.239	C	C	.	.			trans	-118.2	134.5	174.8	0	0	0	0	0	109	R121 R124 R126	A119-R121 PolarHBondContact O-N 3.29Å; A119-R121 VanDerWaalsContact O-N 3.12Å; A119-R124 VanDerWaalsContact CB-O 3.26Å; A119-R124 WeakPolarHBondContact CB-O 3.37Å; A119-R126 HydrophobicContact CB-CG 3.93Å
120	A	79.3	Confident	87.1	Confident	79 Å²	79	43.2 Å²	43.2	65%	0.653	24%	0.236	S	C	*	.	S	Bend	trans	-67.9	-15.2	-177.1	0	0	0	0	0	113.1	E245	A120-E245 HydrophobicContact CB-CG 4.21Å; A120-E245 PolarHBondContact N-OE1 2.78Å
121	R	77.2	Confident	87.4	Confident	111 Å²	111	41 Å²	41	42%	0.419	22%	0.224	S	C	.	.	S	Bend	trans	-137.1	89.9	-179.9	-72.2	162.7	-69	-162.7	-0.4	111.5	A119 R124 S241 E245	A119-R121 PolarHBondContact O-N 3.29Å; A119-R121 VanDerWaalsContact O-N 3.12Å; R121-R124 WeakPolarHBondContact O-CB 3.43Å; R121-R124 PolarHBondContact O-N 2.97Å; R121-S241 PolarHBondContact NH2-O 3.2Å; R121-E245 IonicContact CZ-OE2 3.46Å; R121-E245 IonicContact NE-OE2 3.39Å; R121-E245 PolarHBondContact NE-OE2 3.3Å; R121-E245 IonicContact NH2-OE2 2.68Å; R121-E245 PolarHBondContact NH2-OE2 3.09Å
122	P	75.6	Confident	87.4	Confident	112 Å²	112	39 Å²	39	73%	0.727	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	149.8	163.4	-24.2	34.8	0	0	0	111.1
123	P	79.7	Confident	87.5	Confident	90 Å²	90	35.8 Å²	35.8	58%	0.584	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.6	9.4	8.1	36.4	-38.1	0	0	0	115.1	L125 D153	P123-L125 PolarHBondContact O-N 2.9Å; P123-D153 HydrophobicContact CB-CB 4.23Å; P123-D153 HydrophobicContact CG-CB 4.06Å
124	R	85	Confident	86.5	Confident	67 Å²	67	38.7 Å²	38.7	25%	0.253	22%	0.216	S	C	.	.			trans	-59	136.3	-176.2	-63.1	179.9	175.7	-125.5	-9.1	111.5	A119 R121 F151 P152 D239 C242	A119-R124 VanDerWaalsContact CB-O 3.26Å; A119-R124 WeakPolarHBondContact CB-O 3.37Å; R121-R124 WeakPolarHBondContact O-CB 3.43Å; R121-R124 PolarHBondContact O-N 2.97Å; R124-F151 WeakPolarHBondContact CA-O 3.28Å; R124-P152 WeakPolarHBondContact CA-O 3.37Å; R124-P152 WeakPolarHBondContact CG-O 3.45Å; R124-D239 IonicContact CZ-OD2 3.54Å; R124-D239 IonicContact NH1-OD2 3.41Å; R124-D239 PolarHBondContact NH1-OD2 3.27Å; R124-D239 IonicContact NH2-OD2 2.72Å; R124-D239 PolarHBondContact NH2-OD2 3.33Å; R124-C242 PolarHBondContact NH1-SG 3.42Å
125	L	89.3	Confident	85	Confident	28 Å²	28	42.7 Å²	42.7	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.2	174.1	-51.6	-178.1	0	0	0	110.2	P123 Y127 F151	P123-L125 PolarHBondContact O-N 2.9Å; L125-Y127 HydrophobicContact CB-CE2 4.31Å; L125-F151 HydrophobicContact CB-CB 4.21Å; L125-F151 PolarHBondContact N-O 2.92Å; L125-F151 PolarHBondContact O-N 3.46Å
126	R	91.6	Very high	83.2	Confident	11 Å²	11	46 Å²	46	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.9	-175.3	-62.2	-172	124	-153.2	-14.6	110.6	Q116 L117 A119 V149 D150 C242 E245 W246	Q116-R126 WeakPolarHBondContact CA-O 3.15Å; L117-R126 HydrophobicContact CB-CB 4.19Å; L117-R126 PolarHBondContact N-O 2.72Å; A119-R126 HydrophobicContact CB-CG 3.93Å; R126-V149 WeakPolarHBondContact CA-O 3.29Å; R126-D150 IonicContact CZ-OD1 2.74Å; R126-D150 VanDerWaalsContact CZ-OD1 3.24Å; R126-D150 IonicContact NE-OD1 2.77Å; R126-D150 PolarHBondContact NE-OD1 3.37Å; R126-D150 IonicContact NH2-OD1 2.72Å; R126-D150 PolarHBondContact NH2-OD1 3.45Å; R126-D150 IonicContact NH2-OD2 3.21Å; R126-C242 PolarHBondContact NH2-O 2.67Å; R126-E245 IonicContact CZ-OE1 3.87Å; R126-E245 IonicContact NE-OE1 3.56Å; R126-E245 IonicContact NH1-OE1 2.77Å; R126-E245 PolarHBondContact NH1-OE1 2.91Å; R126-W246 HydrophobicContact CB-CH2 4.41Å; R126-W246 HydrophobicContact CB-CZ2 4.33Å
127	Y	93.6	Very high	81	Confident	16 Å²	16	54.1 Å²	54.1	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.5	177.8	-66.6	-86.3	0	0	0	110.5	H97 M101 A115 Q116 L125 V149 F151	H97-Y127 HydrophobicContact CB-CE2 4.39Å; H97-Y127 PolarHBondContact ND1-OH 3.1Å; M101-Y127 HydrophobicContact CE-CD1 4.2Å; M101-Y127 HydrophobicContact CE-CD2 4.28Å; M101-Y127 HydrophobicContact CE-CG 4.06Å; M101-Y127 HydrophobicContact SD-CD1 4.46Å; M101-Y127 HydrophobicContact SD-CD2 3.92Å; M101-Y127 HydrophobicContact SD-CG 3.77Å; A115-Y127 CarbonylContact O-C 3.58Å; A115-Y127 WeakPolarHBondContact O-CA 3.43Å; Q116-Y127 HydrophobicContact CB-CD1 3.93Å; Q116-Y127 HydrophobicContact CB-CE1 3.66Å; Q116-Y127 HydrophobicContact CG-CD1 4.31Å; Q116-Y127 HydrophobicContact CG-CE1 3.87Å; Q116-Y127 PolarHBondContact OE1-OH 3.31Å; L125-Y127 HydrophobicContact CB-CE2 4.31Å; Y127-V149 PolarHBondContact N-O 2.99Å; Y127-V149 PolarHBondContact O-N 3.28Å; Y127-F151 AromaticContact CD2-CD2 3.78Å; Y127-F151 HydrophobicContact CD2-CD2 3.78Å; Y127-F151 AromaticContact CD2-CE2 3.59Å; Y127-F151 HydrophobicContact CD2-CE2 3.59Å; Y127-F151 AromaticContact CE2-CD2 3.87Å; Y127-F151 HydrophobicContact CE2-CD2 3.87Å; Y127-F151 AromaticContact CE2-CE2 3.77Å; Y127-F151 HydrophobicContact CE2-CE2 3.77Å
128	L	95.1	Very high	78.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.6	164.3	-177.5	64.2	0	0	0	108.3	A115 L117 L146 F181 F192 T203	A115-L128 HydrophobicContact CB-CB 4.5Å; A115-L128 PolarHBondContact N-O 3.44Å; A115-L128 PolarHBondContact O-N 3.09Å; L117-L128 HydrophobicContact CD1-CB 4.17Å; L117-L128 HydrophobicContact CD2-CB 4.26Å; L117-L128 HydrophobicContact CG-CB 4.28Å; L128-L146 HydrophobicContact CD1-CB 4.07Å; L128-L146 HydrophobicContact CD1-CD1 4.49Å; L128-F181 HydrophobicContact CD2-CE2 4.46Å; L128-F181 HydrophobicContact CD2-CZ 3.96Å; L128-F192 HydrophobicContact CD1-CD1 4.05Å; L128-F192 HydrophobicContact CD1-CE1 3.61Å; L128-F192 HydrophobicContact CD1-CZ 4Å; L128-F192 HydrophobicContact CD2-CB 4.38Å; L128-F192 HydrophobicContact CD2-CD1 3.9Å; L128-F192 HydrophobicContact CD2-CD2 4.23Å; L128-F192 HydrophobicContact CD2-CE1 4.2Å; L128-F192 HydrophobicContact CD2-CE2 4.5Å; L128-F192 HydrophobicContact CD2-CG 3.9Å; L128-F192 HydrophobicContact CD2-CZ 4.47Å; L128-F192 HydrophobicContact CG-CD1 4.46Å; L128-F192 HydrophobicContact CG-CE1 4.48Å; L128-T203 HydrophobicContact CD2-CG2 4.09Å
129	L	94.1	Very high	76.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	173	-54.1	-177.1	0	0	0	109.7	M101 L105 I111 L113 A114 V131 L146 L147 V149	M101-L129 HydrophobicContact CB-CD1 4.23Å; M101-L129 HydrophobicContact CE-CD2 4.36Å; M101-L129 HydrophobicContact SD-CD1 4.33Å; M101-L129 HydrophobicContact SD-CD2 3.77Å; M101-L129 HydrophobicContact SD-CG 4.39Å; L105-L129 HydrophobicContact CD1-CD1 4.25Å; I111-L129 HydrophobicContact CD1-CD1 4.17Å; I111-L129 HydrophobicContact CD1-CD2 4.48Å; I111-L129 HydrophobicContact CG2-CD2 4.2Å; L113-L129 WeakPolarHBondContact O-CA 2.92Å; A114-L129 HydrophobicContact CB-CD2 3.44Å; A114-L129 VanDerWaalsContact CB-CD2 3.44Å; L129-V131 HydrophobicContact CB-CG2 3.85Å; L129-L146 WeakPolarHBondContact O-CA 3.28Å; L129-L147 HydrophobicContact CB-CB 4.23Å; L129-L147 PolarHBondContact N-O 3.24Å; L129-L147 PolarHBondContact O-N 2.85Å; L129-V149 HydrophobicContact CD1-CG2 3.81Å; L129-V149 HydrophobicContact CG-CG2 4.2Å
130	V	91.3	Very high	75.3	Confident	0 Å²	0	64 Å²	64	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.5	163.3	-170.1	0	0	0	0	107.3	R112 L113 T144 L146 V206 L207	R112-V130 PolarHBondContact N-O 2.87Å; L113-V130 HydrophobicContact CB-CB 4.22Å; L113-V130 HydrophobicContact CB-CG2 4.07Å; L113-V130 HydrophobicContact CD2-CG2 4.43Å; L113-V130 PolarHBondContact N-O 2.94Å; L113-V130 PolarHBondContact O-N 3.4Å; V130-T144 HydrophobicContact CG1-CG2 3.61Å; V130-L146 HydrophobicContact CB-CD2 4.14Å; V130-L146 HydrophobicContact CG1-CD2 3.97Å; V130-L146 HydrophobicContact CG2-CD2 3.79Å; V130-V206 HydrophobicContact CB-CG1 4.09Å; V130-V206 HydrophobicContact CG1-CG1 3.93Å; V130-V206 HydrophobicContact CG2-CG1 4.2Å; V130-L207 HydrophobicContact CG2-CD2 4.44Å
131	V	90.6	Very high	74.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.8	-173.9	-179.5	0	0	0	0	110.2	L105 D109 D110 L129 T144 V145 L147 W228	L105-V131 HydrophobicContact CD2-CG1 3.7Å; L105-V131 HydrophobicContact CD2-CG2 4.01Å; L105-V131 HydrophobicContact CG-CG1 4.49Å; D109-V131 HydrophobicContact CB-CG1 3.78Å; D110-V131 WeakPolarHBondContact O-CA 3.41Å; L129-V131 HydrophobicContact CB-CG2 3.85Å; V131-T144 WeakPolarHBondContact O-CA 3.4Å; V131-T144 WeakPolarHBondContact O-CG2 3.25Å; V131-V145 PolarHBondContact N-O 2.96Å; V131-V145 PolarHBondContact O-N 3.17Å; V131-L147 HydrophobicContact CG2-CD1 3.89Å; V131-L147 HydrophobicContact CG2-CG 4.18Å; V131-W228 HydrophobicContact CG1-CH2 4.3Å; V131-W228 HydrophobicContact CG1-CZ3 4.4Å
132	S	87	Confident	74	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.042	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.5	172.9	51.9	0	0	0	0	111	D109 D110 R112 E143	D109-S132 WeakPolarHBondContact CA-O 3.37Å; D110-S132 PolarHBondContact N-O 3.04Å; D110-S132 PolarHBondContact O-N 2.95Å; R112-S132 WeakPolarHBondContact CD-OG 3.37Å; R112-S132 VanDerWaalsContact CG-OG 3.27Å; R112-S132 WeakPolarHBondContact CG-OG 3.37Å; R112-S132 PolarHBondContact NE-OG 2.8Å; S132-E143 VanDerWaalsContact CA-O 3.26Å; S132-E143 WeakPolarHBondContact CA-O 3.41Å
133	T	83.9	Confident	74.6	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	152.6	174.5	-156.1	0	0	0	0	112.2	R106 Q108 D109 E135 E143 W228	R106-T133 PolarHBondContact NH2-OG1 3.44Å; Q108-T133 PolarHBondContact O-OG1 2.99Å; D109-T133 WeakPolarHBondContact OD1-CB 3.47Å; D109-T133 PolarHBondContact OD1-OG1 3.35Å; T133-E135 HydrophobicContact CG2-CG 4.38Å; T133-E143 HydrophobicContact CG2-CB 4.42Å; T133-E143 PolarHBondContact N-O 3.4Å; T133-W228 HydrophobicContact CG2-CD2 4.42Å; T133-W228 HydrophobicContact CG2-CZ2 4.05Å
134	Q	67.6	Low	75.1	Confident	85 Å²	85	53.6 Å²	53.6	40%	0.397	31%	0.305	S	S	.	.			trans	-120.5	69.1	174.5	-67.9	-168.8	62.7	0	0	111.1	Q108 D110	Q108-Q134 PolarHBondContact O-N 3.45Å; Q108-Q134 VanDerWaalsContact O-N 3.15Å; D110-Q134 PolarHBondContact OD2-NE2 2.85Å
135	E	58.7	Low	75.5	Confident	118 Å²	118	50.4 Å²	50.4	55%	0.551	29%	0.293	S	S	*	.			trans	-97.3	109.2	177	-73.2	-174.4	-144.4	0	0	112.5	R106 T133	R106-E135 IonicContact CZ-OE1 3.96Å; R106-E135 IonicContact NH1-OE1 2.64Å; R106-E135 PolarHBondContact NH1-OE1 2.69Å; R106-E135 IonicContact NH2-OE1 2.96Å; R106-E135 PolarHBondContact NH2-OE1 3.37Å; T133-E135 HydrophobicContact CG2-CG 4.38Å
136	G	52.2	Low	75.7	Confident	71 Å²	71	49.1 Å²	49.1	73%	0.732	29%	0.286	S	S	*	.			trans	110	134.3	158.7	0	0	0	0	0	116.8	G138	G136-G138 PolarHBondContact O-N 3.09Å
137	E	45.3	Very low	75.9	Confident	211 Å²	211	48.7 Å²	48.7	99%	0.986	28%	0.284	S	S	*	.	S	Bend	trans	-74.2	114.4	168.8	-64.6	-177.4	125.6	0	0	110.4
138	G	47.2	Very low	75.9	Confident	75 Å²	75	48 Å²	48	77%	0.773	28%	0.281	S	S	*	.	S	Bend	trans	141.9	-34.6	158.6	0	0	0	0	0	117.2	G136	G136-G138 PolarHBondContact O-N 3.09Å
139	L	46.8	Very low	75.9	Confident	155 Å²	155	48 Å²	48	81%	0.812	28%	0.282	S	S	*	.			trans	-137.7	123.5	-176.5	-76.3	172	0	0	0	112.1	Q141	L139-Q141 PolarHBondContact O-N 3.08Å
140	S	50.4	Low	75.8	Confident	99 Å²	99	48 Å²	48	69%	0.692	28%	0.282	S	S	*	.			trans	-74.2	84.1	-177.5	170.6	0	0	0	0	112.3
141	Q	59.9	Low	75.8	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	28%	0.282	S	S	.	.			trans	-102	95.6	163	-67.7	-169.3	-8.8	0	0	109.5	L139 E143	L139-Q141 PolarHBondContact O-N 3.08Å; Q141-E143 HydrophobicContact CB-CG 4.25Å; Q141-E143 PolarHBondContact O-N 3.35Å
142	D	69.6	Low	75.6	Confident	53 Å²	53	51 Å²	51	28%	0.283	30%	0.301	S	S	.	.			trans	-80.6	60.2	-178.6	-175.4	32.7	0	0	0	110.5	R112 T144 A213	R112-D142 IonicContact CZ-OD1 2.74Å; R112-D142 IonicContact CZ-OD2 3.64Å; R112-D142 IonicContact NH1-OD1 3.34Å; R112-D142 PolarHBondContact NH1-OD1 3.37Å; R112-D142 VanDerWaalsContact NH1-OD1 3.1Å; R112-D142 IonicContact NH1-OD2 2.81Å; R112-D142 PolarHBondContact NH1-OD2 3.14Å; R112-D142 IonicContact NH2-OD2 3.62Å; D142-T144 PolarHBondContact O-OG1 3.34Å; D142-A213 HydrophobicContact CB-CB 4.35Å
143	E	87.1	Confident	75.4	Confident	17 Å²	17	53 Å²	53	8%	0.079	31%	0.312	C	S	.	.			trans	-61.2	136	-173.9	-63.9	-160	148.7	0	0	111.8	S132 T133 Q141 L219 A225 L226 W228	S132-E143 VanDerWaalsContact CA-O 3.26Å; S132-E143 WeakPolarHBondContact CA-O 3.41Å; T133-E143 HydrophobicContact CG2-CB 4.42Å; T133-E143 PolarHBondContact N-O 3.4Å; Q141-E143 HydrophobicContact CB-CG 4.25Å; Q141-E143 PolarHBondContact O-N 3.35Å; E143-L219 HydrophobicContact CG-CD1 4.3Å; E143-A225 WeakPolarHBondContact OE1-CA 3.35Å; E143-A225 WeakPolarHBondContact OE1-CB 3.32Å; E143-L226 HydrophobicContact CB-CD2 3.86Å; E143-L226 HydrophobicContact CB-CG 4.23Å; E143-L226 HydrophobicContact CG-CG 4.48Å; E143-L226 PolarHBondContact OE1-N 3.24Å; E143-L226 VanDerWaalsContact OE2-CA 3.3Å; E143-L226 WeakPolarHBondContact OE2-CA 3.38Å; E143-L226 PolarHBondContact OE2-N 3.13Å; E143-W228 HydrophobicContact CB-CZ2 4.26Å; E143-W228 VanDerWaalsContact OE2-CD1 3.25Å; E143-W228 PolarHBondContact OE2-NE1 2.89Å
144	T	90.3	Very high	75.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.6	-172.3	-48	0	0	0	0	113.4	R112 V130 V131 D142 L167 A210 L226	R112-T144 PolarHBondContact NH2-OG1 2.86Å; V130-T144 HydrophobicContact CG1-CG2 3.61Å; V131-T144 WeakPolarHBondContact O-CA 3.4Å; V131-T144 WeakPolarHBondContact O-CG2 3.25Å; D142-T144 PolarHBondContact O-OG1 3.34Å; T144-L167 HydrophobicContact CG2-CD1 3.8Å; T144-L167 HydrophobicContact CG2-CG 4.36Å; T144-L167 PolarHBondContact O-N 3.09Å; T144-A210 HydrophobicContact CG2-CB 3.81Å; T144-L226 WeakPolarHBondContact O-CD2 3.37Å
145	V	93.3	Very high	76	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140	171.1	178.2	0	0	0	0	109.3	V131 L147 V164 P166 L226 W228 A229	V131-V145 PolarHBondContact N-O 2.96Å; V131-V145 PolarHBondContact O-N 3.17Å; V145-L147 HydrophobicContact CG1-CD2 3.67Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; V145-V164 HydrophobicContact CG1-CG1 3.73Å; V145-P166 HydrophobicContact CG2-CB 4.39Å; V145-L226 HydrophobicContact CG2-CD2 3.64Å; V145-W228 HydrophobicContact CB-CH2 3.65Å; V145-W228 HydrophobicContact CB-CZ2 4.37Å; V145-W228 HydrophobicContact CB-CZ3 3.94Å; V145-W228 HydrophobicContact CG2-CE3 4.22Å; V145-W228 HydrophobicContact CG2-CH2 3.36Å; V145-W228 HydrophobicContact CG2-CZ2 3.65Å; V145-W228 HydrophobicContact CG2-CZ3 3.66Å; V145-A229 HydrophobicContact CG2-CB 3.77Å
146	L	95.1	Very high	77.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.5	166	-55.8	-173.8	0	0	0	109.9	L128 L129 V130 V164 L165 L167 V183 L207	L128-L146 HydrophobicContact CD1-CB 4.07Å; L128-L146 HydrophobicContact CD1-CD1 4.49Å; L129-L146 WeakPolarHBondContact O-CA 3.28Å; V130-L146 HydrophobicContact CB-CD2 4.14Å; V130-L146 HydrophobicContact CG1-CD2 3.97Å; V130-L146 HydrophobicContact CG2-CD2 3.79Å; L146-V164 WeakPolarHBondContact O-CA 3.47Å; L146-L165 HydrophobicContact CB-CB 4.33Å; L146-L165 HydrophobicContact CD1-CD2 4.43Å; L146-L165 PolarHBondContact N-O 2.91Å; L146-L165 PolarHBondContact O-N 3.32Å; L146-L167 HydrophobicContact CD1-CD2 3.97Å; L146-L167 HydrophobicContact CD2-CD1 4.15Å; L146-L167 HydrophobicContact CG-CD1 4.23Å; L146-L167 HydrophobicContact CG-CD2 3.92Å; L146-L167 HydrophobicContact CG-CG 4.18Å; L146-V183 HydrophobicContact CD1-CG1 4.44Å; L146-V183 HydrophobicContact CD1-CG2 4.31Å; L146-L207 HydrophobicContact CD1-CD2 3.79Å; L146-L207 HydrophobicContact CD2-CD2 3.69Å; L146-L207 HydrophobicContact CG-CD2 4.31Å
147	L	94.9	Very high	78.7	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.6	174.4	-56.2	-179	0	0	0	109.4	L129 V131 V145 L161 L163 V164 Y232	L129-L147 HydrophobicContact CB-CB 4.23Å; L129-L147 PolarHBondContact N-O 3.24Å; L129-L147 PolarHBondContact O-N 2.85Å; V131-L147 HydrophobicContact CG2-CD1 3.89Å; V131-L147 HydrophobicContact CG2-CG 4.18Å; V145-L147 HydrophobicContact CG1-CD2 3.67Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; L147-L161 HydrophobicContact CB-CD1 3.85Å; L147-L161 HydrophobicContact CD1-CD1 4.42Å; L147-L161 HydrophobicContact CD2-CD1 4.16Å; L147-L161 HydrophobicContact CG-CD1 4.37Å; L147-L163 WeakPolarHBondContact CA-O 2.96Å; L147-V164 HydrophobicContact CD2-CB 4.4Å; L147-V164 HydrophobicContact CD2-CG1 4.19Å; L147-V164 HydrophobicContact CD2-CG2 3.92Å; L147-Y232 HydrophobicContact CD1-CD1 3.84Å; L147-Y232 HydrophobicContact CD1-CE1 3.82Å; L147-Y232 HydrophobicContact CD1-CG 4.3Å; L147-Y232 HydrophobicContact CD2-CD1 4.21Å; L147-Y232 HydrophobicContact CD2-CD2 4.5Å; L147-Y232 HydrophobicContact CD2-CG 3.99Å
148	G	94.1	Very high	80.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.5	170	0	0	0	0	0	110	G162 L163 W246	G148-G162 PolarHBondContact O-N 3.05Å; G148-L163 PolarHBondContact N-O 2.98Å; G148-L163 PolarHBondContact O-N 3.37Å; G148-W246 VanDerWaalsContact CA-CH2 3.49Å; G148-W246 VanDerWaalsContact CA-CZ2 3.43Å
149	V	94.1	Very high	82.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.8	-178.6	-179.5	0	0	0	0	109.8	M101 L104 R126 Y127 L129 F151 C159 T160 L161	M101-V149 HydrophobicContact CG-CG1 4.12Å; M101-V149 HydrophobicContact SD-CB 4.4Å; M101-V149 HydrophobicContact SD-CG1 4.37Å; L104-V149 HydrophobicContact CD1-CG1 4.1Å; L104-V149 HydrophobicContact CD1-CG2 4.25Å; R126-V149 WeakPolarHBondContact CA-O 3.29Å; Y127-V149 PolarHBondContact N-O 2.99Å; Y127-V149 PolarHBondContact O-N 3.28Å; L129-V149 HydrophobicContact CD1-CG2 3.81Å; L129-V149 HydrophobicContact CG-CG2 4.2Å; V149-F151 HydrophobicContact CG1-CD2 4.35Å; V149-F151 HydrophobicContact CG1-CE2 3.94Å; V149-C159 HydrophobicContact CG1-CB 3.63Å; V149-T160 CarbonylContact C-O 3.58Å; V149-T160 WeakPolarHBondContact CA-O 3.46Å; V149-L161 HydrophobicContact CG2-CD1 4.34Å
150	D	92.6	Very high	84.8	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.8	174.7	-57.9	-88.8	0	0	0	110.9	R126 C159 T160 S238 C242 W246	R126-D150 IonicContact CZ-OD1 2.74Å; R126-D150 VanDerWaalsContact CZ-OD1 3.24Å; R126-D150 IonicContact NE-OD1 2.77Å; R126-D150 PolarHBondContact NE-OD1 3.37Å; R126-D150 IonicContact NH2-OD1 2.72Å; R126-D150 PolarHBondContact NH2-OD1 3.45Å; R126-D150 IonicContact NH2-OD2 3.21Å; D150-C159 WeakPolarHBondContact O-CA 3.28Å; D150-C159 VanDerWaalsContact O-CB 3.29Å; D150-C159 WeakPolarHBondContact O-CB 3.48Å; D150-T160 PolarHBondContact N-O 2.96Å; D150-T160 PolarHBondContact O-N 3.02Å; D150-S238 VanDerWaalsContact OD2-CB 3.27Å; D150-S238 WeakPolarHBondContact OD2-CB 3.42Å; D150-S238 PolarHBondContact OD2-OG 2.58Å; D150-C242 VanDerWaalsContact CG-SG 3.57Å; D150-C242 WeakPolarHBondContact OD1-CB 3.23Å; D150-C242 PolarHBondContact OD1-SG 2.86Å; D150-W246 PolarHBondContact OD1-NE1 3.09Å; D150-W246 PolarHBondContact OD2-NE1 2.96Å
151	F	90.6	Very high	86.9	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.5	163.8	-69.1	-109	0	0	0	108.4	H97 L100 M101 R124 L125 Y127 V149 D153 C159	H97-F151 HydrophobicContact CB-CE1 3.95Å; H97-F151 HydrophobicContact CB-CE2 4.3Å; H97-F151 HydrophobicContact CB-CZ 3.64Å; H97-F151 AromaticContact CD2-CD1 3.83Å; H97-F151 AromaticContact CD2-CE1 3.44Å; H97-F151 VanDerWaalsContact CD2-CE1 3.44Å; H97-F151 WeakPolarHBondContact CD2-CE1 3.48Å; H97-F151 AromaticContact CG-CE1 3.74Å; H97-F151 AromaticContact CG-CZ 3.9Å; L100-F151 HydrophobicContact CB-CE1 4.35Å; L100-F151 HydrophobicContact CB-CZ 4.47Å; L100-F151 HydrophobicContact CD1-CE1 4.01Å; M101-F151 HydrophobicContact CG-CE2 4Å; M101-F151 HydrophobicContact CG-CZ 3.93Å; M101-F151 HydrophobicContact SD-CE2 4Å; M101-F151 HydrophobicContact SD-CZ 4.41Å; R124-F151 WeakPolarHBondContact CA-O 3.28Å; L125-F151 HydrophobicContact CB-CB 4.21Å; L125-F151 PolarHBondContact N-O 2.92Å; L125-F151 PolarHBondContact O-N 3.46Å; Y127-F151 AromaticContact CD2-CD2 3.78Å; Y127-F151 HydrophobicContact CD2-CD2 3.78Å; Y127-F151 AromaticContact CD2-CE2 3.59Å; Y127-F151 HydrophobicContact CD2-CE2 3.59Å; Y127-F151 AromaticContact CE2-CD2 3.87Å; Y127-F151 HydrophobicContact CE2-CD2 3.87Å; Y127-F151 AromaticContact CE2-CE2 3.77Å; Y127-F151 HydrophobicContact CE2-CE2 3.77Å; V149-F151 HydrophobicContact CG1-CD2 4.35Å; V149-F151 HydrophobicContact CG1-CE2 3.94Å; F151-D153 VanDerWaalsContact C-N 3.29Å; F151-D153 PolarHBondContact O-N 3.19Å; F151-C159 HydrophobicContact CD1-CB 3.79Å; F151-C159 HydrophobicContact CD2-CB 3.83Å; F151-C159 HydrophobicContact CE1-CB 3.59Å; F151-C159 HydrophobicContact CE2-CB 3.62Å; F151-C159 HydrophobicContact CG-CB 3.91Å; F151-C159 HydrophobicContact CZ-CB 3.5Å
152	P	86.2	Confident	88.4	Confident	61 Å²	61	27 Å²	27	40%	0.396	17%	0.172	S	C	.	.	S	Bend	trans	-58.1	-37.9	177.7	-25.6	33.7	0	0	0	114	R124	R124-P152 WeakPolarHBondContact CA-O 3.37Å; R124-P152 WeakPolarHBondContact CG-O 3.45Å
153	D	84.3	Confident	89.5	Confident	49 Å²	49	24.8 Å²	24.8	26%	0.262	16%	0.161	S	C	.	.	S	Bend	trans	-156.7	178.4	173.3	62.3	52.1	0	0	0	111.5	P123 F151 S155 S156	P123-D153 HydrophobicContact CB-CB 4.23Å; P123-D153 HydrophobicContact CG-CB 4.06Å; F151-D153 VanDerWaalsContact C-N 3.29Å; F151-D153 PolarHBondContact O-N 3.19Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 3.46Å; D153-S155 VanDerWaalsContact OD1-C 3.3Å; D153-S155 VanDerWaalsContact OD1-CA 3.28Å; D153-S155 WeakPolarHBondContact OD1-CA 3.4Å; D153-S155 WeakPolarHBondContact OD1-CB 3.39Å; D153-S155 PolarHBondContact OD1-N 3.2Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-S156 PolarHBondContact N-OG 3.29Å; D153-S156 WeakPolarHBondContact O-CB 3.34Å; D153-S156 PolarHBondContact O-N 2.95Å; D153-S156 PolarHBondContact O-OG 2.98Å; D153-S156 PolarHBondContact OD1-N 3.45Å; D153-S156 PolarHBondContact OD1-OG 3.33Å
154	S	80.5	Confident	89.8	Confident	53 Å²	53	24.6 Å²	24.6	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.8	179	48.6	0	0	0	0	115.5	E93 R96 H97	E93-S154 WeakPolarHBondContact CG-O 3.28Å; E93-S154 WeakPolarHBondContact OE1-CB 3.25Å; R96-S154 PolarHBondContact NH2-O 3.3Å; H97-S154 PolarHBondContact CE1-O 3.1Å; H97-S154 PolarHBondContact NE2-O 3.41Å; H97-S154 VanDerWaalsContact NE2-O 3.14Å
155	S	82.7	Confident	90	Very high	82 Å²	82	24.6 Å²	24.6	57%	0.573	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-6.4	-179.4	71.8	0	0	0	0	113.5	R96 D153	R96-S155 PolarHBondContact NH1-O 3.38Å; R96-S155 PolarHBondContact NH2-O 2.97Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 3.46Å; D153-S155 VanDerWaalsContact OD1-C 3.3Å; D153-S155 VanDerWaalsContact OD1-CA 3.28Å; D153-S155 WeakPolarHBondContact OD1-CA 3.4Å; D153-S155 WeakPolarHBondContact OD1-CB 3.39Å; D153-S155 PolarHBondContact OD1-N 3.2Å; D153-S155 PolarHBondContact OD1-OG 2.89Å
156	S	83.4	Confident	89.9	Confident	7 Å²	7	25.5 Å²	25.5	5%	0.049	17%	0.166	C	C	.	.			trans	-57.8	132.7	-174.1	-69.9	0	0	0	0	112.9	R96 D153 S158	R96-S156 VanDerWaalsContact CZ-O 3.26Å; R96-S156 PolarHBondContact NH1-O 3.32Å; R96-S156 VanDerWaalsContact NH1-O 3.13Å; R96-S156 PolarHBondContact NH2-O 3.5Å; D153-S156 PolarHBondContact N-OG 3.29Å; D153-S156 WeakPolarHBondContact O-CB 3.34Å; D153-S156 PolarHBondContact O-N 2.95Å; D153-S156 PolarHBondContact O-OG 2.98Å; D153-S156 PolarHBondContact OD1-N 3.45Å; D153-S156 PolarHBondContact OD1-OG 3.33Å; S156-S158 VanDerWaalsContact C-N 3.28Å; S156-S158 PolarHBondContact O-N 3.23Å
157	P	83.9	Confident	89.7	Confident	103 Å²	103	25.5 Å²	25.5	67%	0.669	17%	0.166	S	C	*	.	S	Bend	trans	-83.2	-2.1	-178.5	34.7	-36.9	0	0	0	113.6	L100	L100-P157 VanDerWaalsContact CD2-O 3.26Å; L100-P157 WeakPolarHBondContact CD2-O 3.47Å
158	S	85.9	Confident	89.5	Confident	69 Å²	69	26.9 Å²	26.9	48%	0.483	17%	0.171	S	C	.	.			trans	-143.5	162	-177.8	55.9	0	0	0	0	110.8	S156	S156-S158 VanDerWaalsContact C-N 3.28Å; S156-S158 PolarHBondContact O-N 3.23Å
159	C	90.8	Very high	89.2	Confident	11 Å²	11	28.5 Å²	28.5	7%	0.074	18%	0.183	C	C	.	.			trans	-135.2	159	173.3	49.4	0	0	0	0	110.7	V149 D150 F151	V149-C159 HydrophobicContact CG1-CB 3.63Å; D150-C159 WeakPolarHBondContact O-CA 3.28Å; D150-C159 VanDerWaalsContact O-CB 3.29Å; D150-C159 WeakPolarHBondContact O-CB 3.48Å; F151-C159 HydrophobicContact CD1-CB 3.79Å; F151-C159 HydrophobicContact CD2-CB 3.83Å; F151-C159 HydrophobicContact CE1-CB 3.59Å; F151-C159 HydrophobicContact CE2-CB 3.62Å; F151-C159 HydrophobicContact CG-CB 3.91Å; F151-C159 HydrophobicContact CZ-CB 3.5Å
160	T	92.1	Very high	88.8	Confident	36 Å²	36	31.7 Å²	31.7	22%	0.221	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.4	-176.1	54.6	0	0	0	0	111.1	V149 D150 N237 S238	V149-T160 CarbonylContact C-O 3.58Å; V149-T160 WeakPolarHBondContact CA-O 3.46Å; D150-T160 PolarHBondContact N-O 2.96Å; D150-T160 PolarHBondContact O-N 3.02Å; T160-N237 VanDerWaalsContact CA-OD1 3.27Å; T160-N237 WeakPolarHBondContact CA-OD1 3.27Å; T160-N237 VanDerWaalsContact CB-OD1 3.24Å; T160-N237 WeakPolarHBondContact CB-OD1 3.26Å; T160-S238 WeakPolarHBondContact CB-OG 3.26Å; T160-S238 PolarHBondContact O-OG 2.87Å; T160-S238 WeakPolarHBondContact OG1-CA 3.19Å; T160-S238 PolarHBondContact OG1-OG 3.06Å
161	L	93.3	Very high	88.7	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.058	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.8	177.8	-173.2	72.9	0	0	0	109.8	L147 V149 V164 Y232 L236 N237 S238	L147-L161 HydrophobicContact CB-CD1 3.85Å; L147-L161 HydrophobicContact CD1-CD1 4.42Å; L147-L161 HydrophobicContact CD2-CD1 4.16Å; L147-L161 HydrophobicContact CG-CD1 4.37Å; V149-L161 HydrophobicContact CG2-CD1 4.34Å; L161-V164 HydrophobicContact CD2-CG2 3.87Å; L161-V164 HydrophobicContact CG-CG2 4.42Å; L161-Y232 HydrophobicContact CD2-CD1 4.23Å; L161-Y232 VanDerWaalsContact CD2-O 3.24Å; L161-Y232 WeakPolarHBondContact CD2-O 3.44Å; L161-L236 HydrophobicContact CD2-CD2 4.4Å; L161-L236 HydrophobicContact CG-CD2 4.15Å; L161-L236 CarbonylContact O-C 3.47Å; L161-L236 WeakPolarHBondContact O-CA 3.5Å; L161-N237 PolarHBondContact N-OD1 3.48Å; L161-N237 PolarHBondContact O-N 2.99Å; L161-S238 VanDerWaalsContact C-OG 3.24Å; L161-S238 PolarHBondContact O-N 3.04Å; L161-S238 VanDerWaalsContact O-N 3.11Å; L161-S238 PolarHBondContact O-OG 2.92Å
162	G	90.9	Very high	88.5	Confident	4 Å²	4	35.6 Å²	35.6	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-11.4	-175.7	0	0	0	0	0	115.6	G148 S238 L243 W246	G148-G162 PolarHBondContact O-N 3.05Å; G162-S238 WeakPolarHBondContact CA-OG 3.29Å; G162-S238 PolarHBondContact N-OG 3.03Å; G162-L243 WeakPolarHBondContact O-CD2 3.41Å; G162-W246 VanDerWaalsContact O-CD1 3.24Å
163	L	93.6	Very high	88.6	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.1	172.5	178.5	66.5	0	0	0	111.2	L147 G148 R190 F192 W246	L147-L163 WeakPolarHBondContact CA-O 2.96Å; G148-L163 PolarHBondContact N-O 2.98Å; G148-L163 PolarHBondContact O-N 3.37Å; L163-R190 HydrophobicContact CD1-CG 4.24Å; L163-R190 HydrophobicContact CD2-CG 4.3Å; L163-F192 HydrophobicContact CD2-CE1 3.63Å; L163-F192 HydrophobicContact CD2-CZ 3.74Å; L163-W246 HydrophobicContact CB-CB 4.13Å; L163-W246 HydrophobicContact CB-CD2 3.92Å; L163-W246 HydrophobicContact CB-CE3 4.11Å; L163-W246 HydrophobicContact CB-CG 3.96Å; L163-W246 HydrophobicContact CD2-CE3 3.92Å; L163-W246 HydrophobicContact CD2-CZ3 4.42Å
164	V	94	Very high	88.7	Confident	12 Å²	12	33.4 Å²	33.4	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.7	163.3	-177.9	0	0	0	0	107.4	V145 L146 L147 L161 A229 L236	V145-V164 HydrophobicContact CG1-CG1 3.73Å; L146-V164 WeakPolarHBondContact O-CA 3.47Å; L147-V164 HydrophobicContact CD2-CB 4.4Å; L147-V164 HydrophobicContact CD2-CG1 4.19Å; L147-V164 HydrophobicContact CD2-CG2 3.92Å; L161-V164 HydrophobicContact CD2-CG2 3.87Å; L161-V164 HydrophobicContact CG-CG2 4.42Å; V164-A229 HydrophobicContact CG1-CB 4.36Å; V164-L236 HydrophobicContact CG2-CD2 4.16Å
165	L	93	Very high	88.9	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	101.8	175.1	-176	73.3	0	0	0	109.7	L146 V183 Q188 R190	L146-L165 HydrophobicContact CB-CB 4.33Å; L146-L165 HydrophobicContact CD1-CD2 4.43Å; L146-L165 PolarHBondContact N-O 2.91Å; L146-L165 PolarHBondContact O-N 3.32Å; L165-V183 HydrophobicContact CD2-CB 4.25Å; L165-V183 HydrophobicContact CD2-CG1 3.97Å; L165-Q188 HydrophobicContact CD1-CB 3.95Å; L165-R190 HydrophobicContact CD2-CB 4.46Å; L165-R190 HydrophobicContact CD2-CG 4.02Å
166	P	92.1	Very high	88.8	Confident	19 Å²	19	28.8 Å²	28.8	12%	0.123	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	148.8	172.7	-17	30.4	0	0	0	111.3	V145 W168 S185 L226 A229	V145-P166 HydrophobicContact CG2-CB 4.39Å; P166-W168 HydrophobicContact CB-CZ2 3.99Å; P166-W168 HydrophobicContact CG-CZ2 4.31Å; P166-S185 WeakPolarHBondContact O-CB 3.24Å; P166-S185 PolarHBondContact O-OG 3Å; P166-L226 HydrophobicContact CB-CB 4.38Å; P166-L226 HydrophobicContact CB-CD1 4.03Å; P166-L226 HydrophobicContact CB-CD2 4.35Å; P166-L226 HydrophobicContact CB-CG 4.5Å; P166-A229 HydrophobicContact CB-CB 4.49Å; P166-A229 HydrophobicContact CG-CB 3.78Å
167	L	91.3	Very high	88.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.			trans	-103.5	102.8	177.3	-59.2	-170.4	0	0	0	111	T144 L146 T171 V183 L207 A210 A214	T144-L167 HydrophobicContact CG2-CD1 3.8Å; T144-L167 HydrophobicContact CG2-CG 4.36Å; T144-L167 PolarHBondContact O-N 3.09Å; L146-L167 HydrophobicContact CD1-CD2 3.97Å; L146-L167 HydrophobicContact CD2-CD1 4.15Å; L146-L167 HydrophobicContact CG-CD1 4.23Å; L146-L167 HydrophobicContact CG-CD2 3.92Å; L146-L167 HydrophobicContact CG-CG 4.18Å; L167-T171 HydrophobicContact CD2-CG2 4.13Å; L167-V183 HydrophobicContact CD2-CG1 4.14Å; L167-L207 HydrophobicContact CD1-CD2 4.17Å; L167-A210 HydrophobicContact CD1-CB 3.86Å; L167-A214 WeakPolarHBondContact O-CB 3.46Å
168	W	90.3	Very high	88.1	Confident	32 Å²	32	25.4 Å²	25.4	12%	0.121	14%	0.139	C	C	.	.			trans	-89.8	173.1	178.4	-53.2	106	0	0	0	111.6	P166 D170 T171 S185 L219 V220 P221 L226	P166-W168 HydrophobicContact CB-CZ2 3.99Å; P166-W168 HydrophobicContact CG-CZ2 4.31Å; W168-D170 PolarHBondContact O-N 3.4Å; W168-T171 PolarHBondContact N-OG1 2.99Å; W168-T171 VanDerWaalsContact O-CB 3.27Å; W168-T171 WeakPolarHBondContact O-CB 3.4Å; W168-T171 PolarHBondContact O-N 3.02Å; W168-T171 PolarHBondContact O-OG1 2.83Å; W168-S185 VanDerWaalsContact CD1-OG 3.25Å; W168-S185 PolarHBondContact N-OG 2.99Å; W168-L219 CarbonylContact C-O 3.47Å; W168-L219 WeakPolarHBondContact CA-O 3.4Å; W168-L219 WeakPolarHBondContact CB-O 3.33Å; W168-L219 HydrophobicContact CE3-CB 4.27Å; W168-V220 VanDerWaalsContact CE3-C 3.46Å; W168-V220 WeakPolarHBondContact CZ3-O 3.1Å; W168-P221 HydrophobicContact CB-CG 4.2Å; W168-P221 HydrophobicContact CD2-CB 4.23Å; W168-P221 HydrophobicContact CD2-CG 3.75Å; W168-P221 HydrophobicContact CE3-CG 4.31Å; W168-P221 HydrophobicContact CG-CG 3.68Å; W168-P221 HydrophobicContact CZ2-CB 4.4Å; W168-L226 HydrophobicContact CD2-CD1 4.04Å; W168-L226 HydrophobicContact CE3-CD1 3.65Å; W168-L226 HydrophobicContact CH2-CB 3.72Å; W168-L226 HydrophobicContact CH2-CD1 4.08Å; W168-L226 HydrophobicContact CZ2-CB 4.35Å; W168-L226 HydrophobicContact CZ2-CD1 4.43Å; W168-L226 HydrophobicContact CZ3-CB 3.95Å; W168-L226 HydrophobicContact CZ3-CD1 3.68Å; W168-L226 HydrophobicContact CZ3-CG 4.36Å
169	S	86.9	Confident	87.7	Confident	35 Å²	35	22.6 Å²	22.6	25%	0.245	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	175.4	67.6	0	0	0	0	113.7	T171 L215 L219	S169-T171 PolarHBondContact O-N 2.91Å; S169-L215 VanDerWaalsContact O-CD2 3.23Å; S169-L215 WeakPolarHBondContact O-CD2 3.4Å; S169-L219 PolarHBondContact N-O 2.92Å; S169-L219 PolarHBondContact OG-O 2.92Å
170	D	87.4	Confident	87.4	Confident	68 Å²	68	22 Å²	22	36%	0.364	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.5	173.4	83.9	-24.5	0	0	0	113.6	W168 Q172 G186	W168-D170 PolarHBondContact O-N 3.4Å; D170-Q172 PolarHBondContact O-N 2.95Å; D170-G186 PolarHBondContact OD1-N 2.94Å; D170-G186 WeakPolarHBondContact OD2-CA 3.36Å; D170-G186 PolarHBondContact OD2-N 3.03Å; D170-G186 VanDerWaalsContact OD2-N 3.13Å
171	T	89.8	Confident	87.3	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.107	C	C	.	.			trans	-57.3	126.9	-173.3	-58	0	0	0	0	112.6	L167 W168 S169 V173 V183 T184 S185 C211 R535	L167-T171 HydrophobicContact CD2-CG2 4.13Å; W168-T171 PolarHBondContact N-OG1 2.99Å; W168-T171 VanDerWaalsContact O-CB 3.27Å; W168-T171 WeakPolarHBondContact O-CB 3.4Å; W168-T171 PolarHBondContact O-N 3.02Å; W168-T171 PolarHBondContact O-OG1 2.83Å; S169-T171 PolarHBondContact O-N 2.91Å; T171-V173 HydrophobicContact CG2-CG2 4.36Å; T171-V183 HydrophobicContact CG2-CG1 3.93Å; T171-T184 WeakPolarHBondContact CA-O 3.23Å; T171-S185 PolarHBondContact OG1-OG 3.12Å; T171-C211 VanDerWaalsContact CG2-SG 3.5Å; T171-R535 PolarHBondContact O-NH2 3.39Å; T171-R535 VanDerWaalsContact O-NH2 3.12Å
172	Q	86.8	Confident	87.2	Confident	84 Å²	84	19.9 Å²	19.9	39%	0.393	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.5	174.3	-64.5	169.2	23.9	0	0	109.6	D170 Y174 T184	D170-Q172 PolarHBondContact O-N 2.95Å; Q172-Y174 HydrophobicContact CB-CD2 4.38Å; Q172-Y174 HydrophobicContact CB-CE2 3.73Å; Q172-Y174 PolarHBondContact OE1-OH 3Å; Q172-T184 PolarHBondContact N-O 2.88Å; Q172-T184 PolarHBondContact O-N 3.43Å
173	V	87.3	Confident	87.2	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.03	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.3	176.5	-172.7	0	0	0	0	108.7	T171 F181 S182 V183 L204 N533 L534	T171-V173 HydrophobicContact CG2-CG2 4.36Å; V173-F181 HydrophobicContact CG1-CB 4.25Å; V173-F181 HydrophobicContact CG1-CD2 3.92Å; V173-F181 HydrophobicContact CG1-CG 4.41Å; V173-S182 WeakPolarHBondContact CA-O 3.44Å; V173-V183 HydrophobicContact CG1-CG2 4.26Å; V173-V183 HydrophobicContact CG2-CG1 4.27Å; V173-V183 HydrophobicContact CG2-CG2 4.09Å; V173-L204 HydrophobicContact CG1-CD2 3.96Å; V173-N533 WeakPolarHBondContact O-CA 3.45Å; V173-L534 HydrophobicContact CB-CB 3.79Å; V173-L534 HydrophobicContact CB-CD2 3.76Å; V173-L534 HydrophobicContact CB-CG 4.44Å; V173-L534 HydrophobicContact CG1-CB 4.17Å; V173-L534 HydrophobicContact CG1-CD2 3.94Å; V173-L534 HydrophobicContact CG2-CD2 4.1Å; V173-L534 PolarHBondContact O-N 2.79Å
174	Y	87.3	Confident	87.1	Confident	59 Å²	59	21.2 Å²	21.2	23%	0.231	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.8	-178.9	-67.5	-89.4	0	0	0	110.6	Q172 F181 S182 R531 I532 N533	Q172-Y174 HydrophobicContact CB-CD2 4.38Å; Q172-Y174 HydrophobicContact CB-CE2 3.73Å; Q172-Y174 PolarHBondContact OE1-OH 3Å; Y174-F181 CarbonylContact O-C 3.59Å; Y174-F181 WeakPolarHBondContact O-CA 3.38Å; Y174-F181 WeakPolarHBondContact O-CB 3.37Å; Y174-S182 PolarHBondContact N-O 2.79Å; Y174-S182 PolarHBondContact O-N 2.93Å; Y174-R531 HydrophobicContact CD1-CB 3.75Å; Y174-R531 WeakPolarHBondContact CD1-O 3.23Å; Y174-R531 HydrophobicContact CE1-CB 4.36Å; Y174-R531 HydrophobicContact CG-CB 4.42Å; Y174-I532 CarbonylContact C-O 3.58Å; Y174-I532 VanDerWaalsContact CA-O 3.28Å; Y174-I532 WeakPolarHBondContact CA-O 3.48Å; Y174-N533 HydrophobicContact CD1-CB 3.94Å; Y174-N533 HydrophobicContact CE1-CB 3.71Å
175	L	85	Confident	86.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	161.5	168.1	-52.4	-177.9	0	0	0	110.7	L204 D316 L320 R531 I532 V537	L175-L204 HydrophobicContact CD2-CD1 3.79Å; L175-D316 HydrophobicContact CD1-CB 4.23Å; L175-L320 HydrophobicContact CD1-CD1 3.78Å; L175-L320 HydrophobicContact CD2-CD1 3.73Å; L175-L320 HydrophobicContact CG-CD1 4.42Å; L175-R531 PolarHBondContact O-NE 3.3Å; L175-R531 PolarHBondContact O-NH2 3.31Å; L175-I532 HydrophobicContact CB-CB 4.36Å; L175-I532 HydrophobicContact CD1-CB 4.14Å; L175-I532 HydrophobicContact CD1-CD1 4.4Å; L175-I532 HydrophobicContact CD1-CG2 3.69Å; L175-I532 HydrophobicContact CG-CB 4.29Å; L175-I532 HydrophobicContact CG-CG2 4.07Å; L175-I532 PolarHBondContact N-O 3.32Å; L175-V537 HydrophobicContact CD1-CG2 4.24Å
176	D	80.5	Confident	86.5	Confident	39 Å²	39	22.2 Å²	22.2	21%	0.209	13%	0.126	C	C	.	.			trans	-117.4	-1.3	176.6	70.8	26.6	0	0	0	115.3	D178 G180 K193	D176-D178 PolarHBondContact O-N 3.47Å; D176-D178 PolarHBondContact OD1-N 3.28Å; D176-G180 PolarHBondContact N-O 3.23Å; D176-G180 VanDerWaalsContact N-O 3.08Å; D176-G180 WeakPolarHBondContact OD1-CA 3.5Å; D176-G180 PolarHBondContact OD1-N 2.89Å; D176-G180 VanDerWaalsContact OD2-C 3.23Å; D176-G180 WeakPolarHBondContact OD2-CA 3.32Å; D176-K193 IonicContact OD1-NZ 2.71Å; D176-K193 PolarHBondContact OD1-NZ 3.02Å; D176-K193 VanDerWaalsContact OD2-CE 3.26Å; D176-K193 WeakPolarHBondContact OD2-CE 3.15Å; D176-K193 IonicContact OD2-NZ 2.87Å; D176-K193 PolarHBondContact OD2-NZ 3.18Å
177	G	76.7	Confident	86	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	75.1	2.2	175.7	0	0	0	0	0	114.8	R297 R312 D316	G177-R297 PolarHBondContact O-NH1 3.29Å; G177-R312 WeakPolarHBondContact O-CB 3.47Å; G177-R312 VanDerWaalsContact O-CG 3.23Å; G177-R312 WeakPolarHBondContact O-CG 3.34Å; G177-D316 WeakPolarHBondContact CA-OD2 3.37Å; G177-D316 PolarHBondContact N-OD2 2.92Å
178	D	75.3	Confident	85.8	Confident	38 Å²	38	28.7 Å²	28.7	20%	0.203	17%	0.174	C	C	.	.	S	Bend	trans	-130.8	43.6	173.5	-144.5	-2.9	0	0	0	110.7	D176 G180 K193 R297 R312 D316	D176-D178 PolarHBondContact O-N 3.47Å; D176-D178 PolarHBondContact OD1-N 3.28Å; D178-G180 PolarHBondContact O-N 3.14Å; D178-K193 PolarHBondContact O-NZ 2.99Å; D178-R297 IonicContact OD1-CZ 3.2Å; D178-R297 IonicContact OD1-NH1 2.74Å; D178-R297 PolarHBondContact OD1-NH1 2.81Å; D178-R297 IonicContact OD1-NH2 2.73Å; D178-R297 PolarHBondContact OD1-NH2 2.84Å; D178-R297 IonicContact OD2-NH2 3.69Å; D178-R312 IonicContact OD1-NH1 3.94Å; D178-R312 IonicContact OD2-CZ 3.27Å; D178-R312 VanDerWaalsContact OD2-CZ 3.27Å; D178-R312 IonicContact OD2-NH1 2.68Å; D178-R312 PolarHBondContact OD2-NH1 2.87Å; D178-R312 IonicContact OD2-NH2 3.19Å; D178-R312 PolarHBondContact OD2-NH2 3.07Å; D178-D316 PolarHBondContact N-OD2 2.83Å
179	G	76.9	Confident	85.6	Confident	10 Å²	10	28.9 Å²	28.9	10%	0.103	18%	0.18	C	C	.	.	S	Bend	trans	77.8	12.8	173.7	0	0	0	0	0	116.3	P194 S293 D316	G179-P194 WeakPolarHBondContact O-CD 3.4Å; G179-S293 PolarHBondContact N-OG 3.35Å; G179-D316 PolarHBondContact N-OD2 2.89Å
180	G	85.6	Confident	85.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.			trans	-124.6	-180	176.6	0	0	0	0	0	113.4	D176 D178 F192	D176-G180 PolarHBondContact N-O 3.23Å; D176-G180 VanDerWaalsContact N-O 3.08Å; D176-G180 WeakPolarHBondContact OD1-CA 3.5Å; D176-G180 PolarHBondContact OD1-N 2.89Å; D176-G180 VanDerWaalsContact OD2-C 3.23Å; D176-G180 WeakPolarHBondContact OD2-CA 3.32Å; D178-G180 PolarHBondContact O-N 3.14Å; G180-F192 WeakPolarHBondContact CA-O 3.48Å
181	F	90.2	Very high	85.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.3	174.9	62.3	-90.2	0	0	0	110.3	L128 V173 Y174 V183 F192 P194 M200 T203 L204 L207	L128-F181 HydrophobicContact CD2-CE2 4.46Å; L128-F181 HydrophobicContact CD2-CZ 3.96Å; V173-F181 HydrophobicContact CG1-CB 4.25Å; V173-F181 HydrophobicContact CG1-CD2 3.92Å; V173-F181 HydrophobicContact CG1-CG 4.41Å; Y174-F181 CarbonylContact O-C 3.59Å; Y174-F181 WeakPolarHBondContact O-CA 3.38Å; Y174-F181 WeakPolarHBondContact O-CB 3.37Å; F181-V183 HydrophobicContact CD2-CG2 3.81Å; F181-V183 HydrophobicContact CE2-CG2 3.7Å; F181-F192 HydrophobicContact CD2-CB 4.47Å; F181-F192 AromaticContact CD2-CD2 4Å; F181-F192 HydrophobicContact CD2-CD2 4Å; F181-F192 HydrophobicContact CE1-CB 4.09Å; F181-F192 HydrophobicContact CE2-CB 3.92Å; F181-F192 AromaticContact CE2-CD2 3.4Å; F181-F192 HydrophobicContact CE2-CD2 3.4Å; F181-F192 VanDerWaalsContact CE2-CD2 3.4Å; F181-F192 HydrophobicContact CE2-CE2 4.28Å; F181-F192 HydrophobicContact CE2-CG 4Å; F181-F192 HydrophobicContact CZ-CB 3.69Å; F181-F192 AromaticContact CZ-CD2 3.98Å; F181-F192 HydrophobicContact CZ-CD2 3.98Å; F181-F192 HydrophobicContact CZ-CG 4.11Å; F181-F192 PolarHBondContact N-O 2.92Å; F181-F192 PolarHBondContact O-N 3.02Å; F181-P194 HydrophobicContact CD1-CG 4.23Å; F181-P194 HydrophobicContact CE1-CG 3.7Å; F181-M200 HydrophobicContact CD1-CG 4.5Å; F181-T203 HydrophobicContact CE1-CG2 3.87Å; F181-T203 HydrophobicContact CE2-CG2 4.45Å; F181-T203 HydrophobicContact CZ-CG2 3.47Å; F181-T203 VanDerWaalsContact CZ-CG2 3.47Å; F181-L204 HydrophobicContact CB-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CD2 3.87Å; F181-L204 HydrophobicContact CD1-CG 4.3Å; F181-L204 HydrophobicContact CD2-CD2 4.17Å; F181-L204 HydrophobicContact CE1-CD2 4.46Å; F181-L204 HydrophobicContact CG-CD2 3.71Å; F181-L207 HydrophobicContact CD2-CD1 4.04Å; F181-L207 HydrophobicContact CE2-CD1 3.35Å; F181-L207 HydrophobicContact CZ-CD1 3.75Å
182	S	89.9	Confident	85.8	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.3	170.9	60.9	0	0	0	0	110.8	V173 Y174 R190 R531	V173-S182 WeakPolarHBondContact CA-O 3.44Å; Y174-S182 PolarHBondContact N-O 2.79Å; Y174-S182 PolarHBondContact O-N 2.93Å; S182-R190 CarbonylContact C-O 3.21Å; S182-R190 WeakPolarHBondContact CA-O 3.48Å; S182-R531 PolarHBondContact OG-NH1 3.05Å; S182-R531 PolarHBondContact OG-NH2 3.06Å
183	V	91.4	Very high	86	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.6	170.7	-176	0	0	0	0	108.3	L146 L165 L167 T171 V173 F181 S189 R190 F192 L207	L146-V183 HydrophobicContact CD1-CG1 4.44Å; L146-V183 HydrophobicContact CD1-CG2 4.31Å; L165-V183 HydrophobicContact CD2-CB 4.25Å; L165-V183 HydrophobicContact CD2-CG1 3.97Å; L167-V183 HydrophobicContact CD2-CG1 4.14Å; T171-V183 HydrophobicContact CG2-CG1 3.93Å; V173-V183 HydrophobicContact CG1-CG2 4.26Å; V173-V183 HydrophobicContact CG2-CG1 4.27Å; V173-V183 HydrophobicContact CG2-CG2 4.09Å; F181-V183 HydrophobicContact CD2-CG2 3.81Å; F181-V183 HydrophobicContact CE2-CG2 3.7Å; V183-S189 WeakPolarHBondContact O-CA 3.29Å; V183-R190 PolarHBondContact N-O 3.43Å; V183-R190 PolarHBondContact O-N 3.34Å; V183-F192 HydrophobicContact CB-CE2 4.02Å; V183-F192 HydrophobicContact CG2-CD2 4.04Å; V183-F192 HydrophobicContact CG2-CE2 3.72Å; V183-L207 HydrophobicContact CG2-CD1 4.16Å
184	T	90.6	Very high	86.1	Confident	40 Å²	40	27 Å²	27	25%	0.245	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123	170.8	-57.3	0	0	0	0	108.7	T171 Q172 Q188 S189	T171-T184 WeakPolarHBondContact CA-O 3.23Å; Q172-T184 PolarHBondContact N-O 2.88Å; Q172-T184 PolarHBondContact O-N 3.43Å; T184-Q188 CarbonylContact C-O 3.29Å; T184-Q188 VanDerWaalsContact CA-O 3.25Å; T184-Q188 WeakPolarHBondContact CA-O 3.32Å; T184-S189 WeakPolarHBondContact OG1-CB 3.38Å; T184-S189 PolarHBondContact OG1-OG 2.85Å
185	S	90.4	Very high	86.2	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.6	-178.4	176.8	0	0	0	0	109.6	P166 W168 T171 G187 Q188	P166-S185 WeakPolarHBondContact O-CB 3.24Å; P166-S185 PolarHBondContact O-OG 3Å; W168-S185 VanDerWaalsContact CD1-OG 3.25Å; W168-S185 PolarHBondContact N-OG 2.99Å; T171-S185 PolarHBondContact OG1-OG 3.12Å; S185-G187 PolarHBondContact O-N 3.12Å; S185-Q188 PolarHBondContact N-O 3.35Å; S185-Q188 PolarHBondContact O-N 3.3Å
186	G	84.4	Confident	86.3	Confident	35 Å²	35	26.8 Å²	26.8	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	34	179.1	0	0	0	0	0	113.9	D170 Q188	D170-G186 PolarHBondContact OD1-N 2.94Å; D170-G186 WeakPolarHBondContact OD2-CA 3.36Å; D170-G186 PolarHBondContact OD2-N 3.03Å; D170-G186 VanDerWaalsContact OD2-N 3.13Å; G186-Q188 VanDerWaalsContact C-N 3.27Å; G186-Q188 PolarHBondContact O-N 3.21Å
187	G	82.9	Confident	86.6	Confident	71 Å²	71	25 Å²	25	73%	0.732	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-2.7	-175.8	0	0	0	0	0	116.4	S185	S185-G187 PolarHBondContact O-N 3.12Å
188	Q	85.6	Confident	86.8	Confident	83 Å²	83	26.7 Å²	26.7	39%	0.388	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.8	172.1	-61	-169.5	29	0	0	110.6	L165 T184 S185 G186	L165-Q188 HydrophobicContact CD1-CB 3.95Å; T184-Q188 CarbonylContact C-O 3.29Å; T184-Q188 VanDerWaalsContact CA-O 3.25Å; T184-Q188 WeakPolarHBondContact CA-O 3.32Å; S185-Q188 PolarHBondContact N-O 3.35Å; S185-Q188 PolarHBondContact O-N 3.3Å; G186-Q188 VanDerWaalsContact C-N 3.27Å; G186-Q188 PolarHBondContact O-N 3.21Å
189	S	87.3	Confident	87.3	Confident	37 Å²	37	26.3 Å²	26.3	26%	0.259	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.4	171.9	-158.1	0	0	0	0	111.3	V183 T184	V183-S189 WeakPolarHBondContact O-CA 3.29Å; T184-S189 WeakPolarHBondContact OG1-CB 3.38Å; T184-S189 PolarHBondContact OG1-OG 2.85Å
190	R	88.9	Confident	87.8	Confident	27 Å²	27	25.9 Å²	25.9	10%	0.102	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.9	-178.1	-57.5	-64.8	172.3	-147.1	4.3	109.6	L163 L165 S182 V183 F192 W246 T247	L163-R190 HydrophobicContact CD1-CG 4.24Å; L163-R190 HydrophobicContact CD2-CG 4.3Å; L165-R190 HydrophobicContact CD2-CB 4.46Å; L165-R190 HydrophobicContact CD2-CG 4.02Å; S182-R190 CarbonylContact C-O 3.21Å; S182-R190 WeakPolarHBondContact CA-O 3.48Å; V183-R190 PolarHBondContact N-O 3.43Å; V183-R190 PolarHBondContact O-N 3.34Å; R190-F192 HydrophobicContact CB-CE1 4.38Å; R190-F192 HydrophobicContact CB-CE2 3.79Å; R190-F192 HydrophobicContact CB-CZ 3.61Å; R190-F192 HydrophobicContact CG-CZ 4.45Å; R190-W246 WeakPolarHBondContact CD-O 3.42Å; R190-T247 PolarHBondContact NH1-O 3.29Å; R190-T247 VanDerWaalsContact NH1-O 3.14Å
191	I	88.4	Confident	87.8	Confident	67 Å²	67	26.4 Å²	26.4	34%	0.344	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.1	175.1	-56.7	167.9	0	0	0	109.3	A250	I191-A250 HydrophobicContact CD1-CB 3.93Å
192	F	90.9	Very high	87.3	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.5	175.4	-53.3	-76.5	0	0	0	110.1	L117 L128 L163 G180 F181 V183 R190 P194 W246	L117-F192 HydrophobicContact CD1-CB 4.29Å; L117-F192 HydrophobicContact CD1-CD1 3.83Å; L117-F192 HydrophobicContact CD2-CB 4.23Å; L128-F192 HydrophobicContact CD1-CD1 4.05Å; L128-F192 HydrophobicContact CD1-CE1 3.61Å; L128-F192 HydrophobicContact CD1-CZ 4Å; L128-F192 HydrophobicContact CD2-CB 4.38Å; L128-F192 HydrophobicContact CD2-CD1 3.9Å; L128-F192 HydrophobicContact CD2-CD2 4.23Å; L128-F192 HydrophobicContact CD2-CE1 4.2Å; L128-F192 HydrophobicContact CD2-CE2 4.5Å; L128-F192 HydrophobicContact CD2-CG 3.9Å; L128-F192 HydrophobicContact CD2-CZ 4.47Å; L128-F192 HydrophobicContact CG-CD1 4.46Å; L128-F192 HydrophobicContact CG-CE1 4.48Å; L163-F192 HydrophobicContact CD2-CE1 3.63Å; L163-F192 HydrophobicContact CD2-CZ 3.74Å; G180-F192 WeakPolarHBondContact CA-O 3.48Å; F181-F192 HydrophobicContact CD2-CB 4.47Å; F181-F192 AromaticContact CD2-CD2 4Å; F181-F192 HydrophobicContact CD2-CD2 4Å; F181-F192 HydrophobicContact CE1-CB 4.09Å; F181-F192 HydrophobicContact CE2-CB 3.92Å; F181-F192 AromaticContact CE2-CD2 3.4Å; F181-F192 HydrophobicContact CE2-CD2 3.4Å; F181-F192 VanDerWaalsContact CE2-CD2 3.4Å; F181-F192 HydrophobicContact CE2-CE2 4.28Å; F181-F192 HydrophobicContact CE2-CG 4Å; F181-F192 HydrophobicContact CZ-CB 3.69Å; F181-F192 AromaticContact CZ-CD2 3.98Å; F181-F192 HydrophobicContact CZ-CD2 3.98Å; F181-F192 HydrophobicContact CZ-CG 4.11Å; F181-F192 PolarHBondContact N-O 2.92Å; F181-F192 PolarHBondContact O-N 3.02Å; V183-F192 HydrophobicContact CB-CE2 4.02Å; V183-F192 HydrophobicContact CG2-CD2 4.04Å; V183-F192 HydrophobicContact CG2-CE2 3.72Å; R190-F192 HydrophobicContact CB-CE1 4.38Å; R190-F192 HydrophobicContact CB-CE2 3.79Å; R190-F192 HydrophobicContact CB-CZ 3.61Å; R190-F192 HydrophobicContact CG-CZ 4.45Å; F192-P194 WeakPolarHBondContact O-CD 3.47Å; F192-W246 HydrophobicContact CD1-CZ3 4.12Å; F192-W246 HydrophobicContact CE1-CE3 4.28Å; F192-W246 AromaticContact CE1-CZ3 3.97Å; F192-W246 HydrophobicContact CE1-CZ3 3.97Å
193	K	90.4	Very high	87.1	Confident	53 Å²	53	27.6 Å²	27.6	23%	0.23	17%	0.171	C	C	.	.			trans	-117.1	92	179	-70.5	-69.7	-180	-170.6	0	109.9	L117 E118 D176 D178	L117-K193 CarbonylContact C-O 3.57Å; L117-K193 WeakPolarHBondContact CA-O 3.33Å; L117-K193 WeakPolarHBondContact CB-O 3.49Å; E118-K193 HydrophobicContact CB-CB 3.98Å; E118-K193 HydrophobicContact CG-CB 4.15Å; E118-K193 PolarHBondContact N-O 2.77Å; D176-K193 IonicContact OD1-NZ 2.71Å; D176-K193 PolarHBondContact OD1-NZ 3.02Å; D176-K193 VanDerWaalsContact OD2-CE 3.26Å; D176-K193 WeakPolarHBondContact OD2-CE 3.15Å; D176-K193 IonicContact OD2-NZ 2.87Å; D176-K193 PolarHBondContact OD2-NZ 3.18Å; D178-K193 PolarHBondContact O-NZ 2.99Å
194	P	90.3	Very high	86.8	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.026	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-65.6	141.6	177.5	-24	36.9	0	0	0	112.2	L117 G179 F181 F192 S196 T199 M200	L117-P194 HydrophobicContact CD2-CG 4.35Å; G179-P194 WeakPolarHBondContact O-CD 3.4Å; F181-P194 HydrophobicContact CD1-CG 4.23Å; F181-P194 HydrophobicContact CE1-CG 3.7Å; F192-P194 WeakPolarHBondContact O-CD 3.47Å; P194-S196 PolarHBondContact O-N 2.95Å; P194-T199 HydrophobicContact CB-CG2 3.96Å; P194-M200 HydrophobicContact CB-CB 3.96Å; P194-M200 HydrophobicContact CG-CB 3.84Å; P194-M200 HydrophobicContact CG-CG 4.33Å
195	I	87.9	Confident	86.2	Confident	51 Å²	51	28.6 Å²	28.6	26%	0.262	17%	0.173	S	C	.	.	S	Bend	trans	-64.9	-10.7	-177.5	62.5	165.6	0	0	0	115.2	Q116 L117	Q116-I195 HydrophobicContact CB-CD1 3.83Å; Q116-I195 HydrophobicContact CB-CG1 4.07Å; Q116-I195 HydrophobicContact CB-CG2 4.4Å; Q116-I195 HydrophobicContact CG-CD1 4.01Å; Q116-I195 HydrophobicContact CG-CG1 4.44Å; Q116-I195 HydrophobicContact CG-CG2 4.01Å; Q116-I195 PolarHBondContact O-N 3.48Å; Q116-I195 VanDerWaalsContact O-N 3.1Å; L117-I195 WeakPolarHBondContact O-CG2 3.5Å
196	S	88.1	Confident	85.7	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-159.1	160	178	63.3	0	0	0	0	112.5	P194 Q198 T199 M200 E289 V291	P194-S196 PolarHBondContact O-N 2.95Å; S196-Q198 VanDerWaalsContact C-N 3.32Å; S196-Q198 PolarHBondContact O-N 3.2Å; S196-T199 WeakPolarHBondContact O-CA 3.07Å; S196-T199 WeakPolarHBondContact O-CB 3.4Å; S196-T199 PolarHBondContact O-N 3.48Å; S196-T199 VanDerWaalsContact O-N 3.09Å; S196-T199 PolarHBondContact OG-N 3.11Å; S196-T199 PolarHBondContact OG-OG1 3.18Å; S196-M200 PolarHBondContact O-N 2.88Å; S196-E289 WeakPolarHBondContact CB-O 3.4Å; S196-E289 PolarHBondContact OG-O 3.42Å; S196-V291 CarbonylContact C-O 3.55Å; S196-V291 VanDerWaalsContact CA-O 3.25Å; S196-V291 WeakPolarHBondContact CA-O 3.47Å
197	I	85.8	Confident	85.7	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-38.2	-179.9	-65.3	167.3	0	0	0	111.5	T199 M200 W201 L283 V291 I296 M319 V323	I197-T199 VanDerWaalsContact C-N 3.32Å; I197-T199 PolarHBondContact O-N 2.84Å; I197-M200 HydrophobicContact CG1-CE 4.47Å; I197-M200 HydrophobicContact CG2-CE 4.48Å; I197-M200 PolarHBondContact O-N 3.36Å; I197-W201 WeakPolarHBondContact O-CB 3.04Å; I197-W201 PolarHBondContact O-N 2.92Å; I197-L283 HydrophobicContact CD1-CD2 4.48Å; I197-V291 HydrophobicContact CD1-CG1 4.15Å; I197-V291 PolarHBondContact N-O 2.85Å; I197-I296 HydrophobicContact CD1-CB 4.44Å; I197-I296 HydrophobicContact CD1-CD1 3.46Å; I197-I296 VanDerWaalsContact CD1-CD1 3.46Å; I197-I296 HydrophobicContact CD1-CG1 3.92Å; I197-M319 HydrophobicContact CD1-CE 4.28Å; I197-M319 HydrophobicContact CD1-SD 3.52Å; I197-M319 VanDerWaalsContact CD1-SD 3.52Å; I197-V323 HydrophobicContact CG2-CG2 3.97Å
198	Q	81.6	Confident	85.6	Confident	37 Å²	37	26.8 Å²	26.8	17%	0.173	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-39.2	174.9	-167.5	65.8	11.8	0	0	111.3	S196 W201 A202 L288	S196-Q198 VanDerWaalsContact C-N 3.32Å; S196-Q198 PolarHBondContact O-N 3.2Å; Q198-W201 PolarHBondContact O-N 3.33Å; Q198-A202 WeakPolarHBondContact O-CB 3.35Å; Q198-A202 PolarHBondContact O-N 3.39Å; Q198-L288 HydrophobicContact CB-CB 4.39Å; Q198-L288 VanDerWaalsContact CB-O 3.23Å; Q198-L288 WeakPolarHBondContact CB-O 3.46Å; Q198-L288 PolarHBondContact N-O 3.11Å
199	T	85.1	Confident	85.1	Confident	30 Å²	30	28.9 Å²	28.9	18%	0.184	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-43.7	174.6	-50.9	0	0	0	0	111.1	A115 P194 S196 I197 T203	A115-T199 HydrophobicContact CB-CG2 3.84Å; P194-T199 HydrophobicContact CB-CG2 3.96Å; S196-T199 WeakPolarHBondContact O-CA 3.07Å; S196-T199 WeakPolarHBondContact O-CB 3.4Å; S196-T199 PolarHBondContact O-N 3.48Å; S196-T199 VanDerWaalsContact O-N 3.09Å; S196-T199 PolarHBondContact OG-N 3.11Å; S196-T199 PolarHBondContact OG-OG1 3.18Å; I197-T199 VanDerWaalsContact C-N 3.32Å; I197-T199 PolarHBondContact O-N 2.84Å; T199-T203 WeakPolarHBondContact O-CB 3.3Å; T199-T203 PolarHBondContact O-N 3.24Å; T199-T203 PolarHBondContact O-OG1 3.08Å
200	M	88.8	Confident	84.8	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-50.2	175.5	177.6	171.4	58.6	0	0	111.8	F181 P194 S196 I197 T203 L204 L320	F181-M200 HydrophobicContact CD1-CG 4.5Å; P194-M200 HydrophobicContact CB-CB 3.96Å; P194-M200 HydrophobicContact CG-CB 3.84Å; P194-M200 HydrophobicContact CG-CG 4.33Å; S196-M200 PolarHBondContact O-N 2.88Å; I197-M200 HydrophobicContact CG1-CE 4.47Å; I197-M200 HydrophobicContact CG2-CE 4.48Å; I197-M200 PolarHBondContact O-N 3.36Å; M200-T203 PolarHBondContact O-N 3.18Å; M200-L204 HydrophobicContact CG-CD1 3.83Å; M200-L204 HydrophobicContact CG-CG 4.38Å; M200-L204 VanDerWaalsContact O-CG 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.24Å; M200-L204 PolarHBondContact O-N 3.07Å; M200-L320 HydrophobicContact CE-CD2 4.05Å; M200-L320 HydrophobicContact CE-CG 4.45Å; M200-L320 HydrophobicContact CG-CD2 4.45Å
201	W	84	Confident	84.5	Confident	11 Å²	11	26.1 Å²	26.1	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-49.5	-178.9	170.2	-121.3	0	0	0	112.6	I197 Q198 T203 L204 Q205 L320 V323 A324 D327 M538 I541	I197-W201 WeakPolarHBondContact O-CB 3.04Å; I197-W201 PolarHBondContact O-N 2.92Å; Q198-W201 PolarHBondContact O-N 3.33Å; W201-T203 VanDerWaalsContact C-N 3.26Å; W201-T203 PolarHBondContact O-N 3.44Å; W201-L204 PolarHBondContact O-N 3.17Å; W201-Q205 HydrophobicContact CD2-CG 4.16Å; W201-Q205 HydrophobicContact CE3-CG 4.27Å; W201-Q205 HydrophobicContact CH2-CG 4.11Å; W201-Q205 HydrophobicContact CZ2-CG 3.99Å; W201-Q205 HydrophobicContact CZ3-CG 4.25Å; W201-Q205 WeakPolarHBondContact O-CG 3.15Å; W201-Q205 PolarHBondContact O-N 3.4Å; W201-L320 HydrophobicContact CB-CD2 4.1Å; W201-L320 HydrophobicContact CE3-CD2 4.11Å; W201-V323 HydrophobicContact CB-CG1 4.13Å; W201-V323 HydrophobicContact CD2-CG1 4.22Å; W201-V323 HydrophobicContact CG-CB 4.45Å; W201-V323 HydrophobicContact CG-CG1 3.63Å; W201-A324 HydrophobicContact CH2-CB 3.51Å; W201-A324 HydrophobicContact CZ2-CB 3.66Å; W201-A324 HydrophobicContact CZ3-CB 4.23Å; W201-D327 HydrophobicContact CZ2-CB 4.42Å; W201-D327 PolarHBondContact NE1-OD2 3.39Å; W201-M538 HydrophobicContact CH2-CE 4.35Å; W201-M538 HydrophobicContact CZ3-CE 3.78Å; W201-M538 HydrophobicContact CZ3-SD 4.39Å; W201-I541 HydrophobicContact CH2-CD1 3.72Å; W201-I541 HydrophobicContact CZ3-CD1 3.64Å
202	A	80.3	Confident	83.9	Confident	24 Å²	24	26.9 Å²	26.9	20%	0.198	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-37.9	175.8	0	0	0	0	0	112.1	Q198 Q205 V206	Q198-A202 WeakPolarHBondContact O-CB 3.35Å; Q198-A202 PolarHBondContact O-N 3.39Å; A202-Q205 PolarHBondContact O-N 3.01Å; A202-V206 WeakPolarHBondContact O-CG2 3.26Å; A202-V206 PolarHBondContact O-N 3.29Å
203	T	85.3	Confident	83.2	Confident	1 Å²	1	28 Å²	28	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-44.8	176.3	-50.2	0	0	0	0	112	L113 A115 L128 F181 T199 M200 W201 Q205 V206 L207	L113-T203 HydrophobicContact CD2-CG2 4.13Å; A115-T203 HydrophobicContact CB-CG2 4.39Å; A115-T203 WeakPolarHBondContact CB-OG1 3.36Å; L128-T203 HydrophobicContact CD2-CG2 4.09Å; F181-T203 HydrophobicContact CE1-CG2 3.87Å; F181-T203 HydrophobicContact CE2-CG2 4.45Å; F181-T203 HydrophobicContact CZ-CG2 3.47Å; F181-T203 VanDerWaalsContact CZ-CG2 3.47Å; T199-T203 WeakPolarHBondContact O-CB 3.3Å; T199-T203 PolarHBondContact O-N 3.24Å; T199-T203 PolarHBondContact O-OG1 3.08Å; M200-T203 PolarHBondContact O-N 3.18Å; W201-T203 VanDerWaalsContact C-N 3.26Å; W201-T203 PolarHBondContact O-N 3.44Å; T203-Q205 PolarHBondContact O-N 2.73Å; T203-V206 PolarHBondContact O-N 3.31Å; T203-L207 HydrophobicContact CG2-CD1 3.87Å; T203-L207 HydrophobicContact CG2-CG 4.26Å; T203-L207 VanDerWaalsContact O-CB 3.29Å; T203-L207 WeakPolarHBondContact O-CB 3.35Å; T203-L207 WeakPolarHBondContact O-CG 3.49Å; T203-L207 PolarHBondContact O-N 3.41Å
204	L	85.1	Confident	82.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-32.8	178.2	-68	175	0	0	0	112.8	V173 L175 F181 M200 W201 H208 L320 L534	V173-L204 HydrophobicContact CG1-CD2 3.96Å; L175-L204 HydrophobicContact CD2-CD1 3.79Å; F181-L204 HydrophobicContact CB-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CD2 3.87Å; F181-L204 HydrophobicContact CD1-CG 4.3Å; F181-L204 HydrophobicContact CD2-CD2 4.17Å; F181-L204 HydrophobicContact CE1-CD2 4.46Å; F181-L204 HydrophobicContact CG-CD2 3.71Å; M200-L204 HydrophobicContact CG-CD1 3.83Å; M200-L204 HydrophobicContact CG-CG 4.38Å; M200-L204 VanDerWaalsContact O-CG 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.24Å; M200-L204 PolarHBondContact O-N 3.07Å; W201-L204 PolarHBondContact O-N 3.17Å; L204-H208 WeakPolarHBondContact O-CB 3.22Å; L204-H208 PolarHBondContact O-N 2.99Å; L204-L320 HydrophobicContact CD1-CD1 3.57Å; L204-L320 HydrophobicContact CD1-CD2 4.1Å; L204-L534 HydrophobicContact CB-CD1 3.89Å; L204-L534 HydrophobicContact CD2-CD1 4.1Å; L204-L534 HydrophobicContact CD2-CD2 4.09Å; L204-L534 HydrophobicContact CG-CD1 4.39Å
205	Q	79.5	Confident	82.3	Confident	61 Å²	61	27.8 Å²	27.8	29%	0.285	15%	0.145	S	C	.	.	H	α-helix	trans	-60.6	-54.4	170.9	-74.5	-178.1	-12.2	0	0	111.9	W201 A202 T203 H208 Q209 D327 M538	W201-Q205 HydrophobicContact CD2-CG 4.16Å; W201-Q205 HydrophobicContact CE3-CG 4.27Å; W201-Q205 HydrophobicContact CH2-CG 4.11Å; W201-Q205 HydrophobicContact CZ2-CG 3.99Å; W201-Q205 HydrophobicContact CZ3-CG 4.25Å; W201-Q205 WeakPolarHBondContact O-CG 3.15Å; W201-Q205 PolarHBondContact O-N 3.4Å; A202-Q205 PolarHBondContact O-N 3.01Å; T203-Q205 PolarHBondContact O-N 2.73Å; Q205-H208 PolarHBondContact O-N 3.2Å; Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.44Å; Q205-Q209 VanDerWaalsContact O-N 3.17Å; Q205-D327 PolarHBondContact NE2-OD2 3.25Å; Q205-D327 VanDerWaalsContact NE2-OD2 3.14Å; Q205-M538 HydrophobicContact CG-CE 4.47Å
206	V	79.6	Confident	81.7	Confident	22 Å²	22	28.7 Å²	28.7	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-36.9	-176.3	-179.1	0	0	0	0	111.1	R112 L113 V130 A202 T203 Q209 A210	R112-V206 HydrophobicContact CB-CG1 4.17Å; L113-V206 HydrophobicContact CB-CB 4.48Å; L113-V206 HydrophobicContact CB-CG1 4.31Å; L113-V206 HydrophobicContact CB-CG2 4.33Å; L113-V206 HydrophobicContact CD2-CB 4.34Å; L113-V206 HydrophobicContact CD2-CG2 4.3Å; V130-V206 HydrophobicContact CB-CG1 4.09Å; V130-V206 HydrophobicContact CG1-CG1 3.93Å; V130-V206 HydrophobicContact CG2-CG1 4.2Å; A202-V206 WeakPolarHBondContact O-CG2 3.26Å; A202-V206 PolarHBondContact O-N 3.29Å; T203-V206 PolarHBondContact O-N 3.31Å; V206-Q209 PolarHBondContact O-N 2.98Å; V206-A210 PolarHBondContact O-N 3.34Å
207	L	83.8	Confident	81	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-41.1	172	-74.9	174.7	0	0	0	112.5	V130 L146 L167 F181 V183 T203 A210 C211 L534	V130-L207 HydrophobicContact CG2-CD2 4.44Å; L146-L207 HydrophobicContact CD1-CD2 3.79Å; L146-L207 HydrophobicContact CD2-CD2 3.69Å; L146-L207 HydrophobicContact CG-CD2 4.31Å; L167-L207 HydrophobicContact CD1-CD2 4.17Å; F181-L207 HydrophobicContact CD2-CD1 4.04Å; F181-L207 HydrophobicContact CE2-CD1 3.35Å; F181-L207 HydrophobicContact CZ-CD1 3.75Å; V183-L207 HydrophobicContact CG2-CD1 4.16Å; T203-L207 HydrophobicContact CG2-CD1 3.87Å; T203-L207 HydrophobicContact CG2-CG 4.26Å; T203-L207 VanDerWaalsContact O-CB 3.29Å; T203-L207 WeakPolarHBondContact O-CB 3.35Å; T203-L207 WeakPolarHBondContact O-CG 3.49Å; T203-L207 PolarHBondContact O-N 3.41Å; L207-A210 PolarHBondContact O-N 2.88Å; L207-C211 WeakPolarHBondContact O-CB 3.16Å; L207-C211 PolarHBondContact O-N 3.14Å; L207-C211 PolarHBondContact O-SG 2.86Å; L207-L534 HydrophobicContact CB-CD2 4.47Å
208	H	80.3	Confident	80.6	Confident	48 Å²	48	34.1 Å²	34.1	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176.8	178.4	27.9	0	0	0	111.3	L204 Q205 A210 C211 E212 L534 M538	L204-H208 WeakPolarHBondContact O-CB 3.22Å; L204-H208 PolarHBondContact O-N 2.99Å; Q205-H208 PolarHBondContact O-N 3.2Å; H208-A210 PolarHBondContact O-N 3.34Å; H208-C211 PolarHBondContact O-N 3.2Å; H208-E212 VanDerWaalsContact CE1-CG 3.42Å; H208-E212 WeakPolarHBondContact CE1-CG 3.47Å; H208-E212 IonicContact CE1-OE1 2.8Å; H208-E212 IonicContact ND1-OE1 2.78Å; H208-E212 WeakPolarHBondContact O-CG 3.43Å; H208-E212 PolarHBondContact O-N 3.38Å; H208-L534 HydrophobicContact CB-CD2 4.16Å; H208-M538 HydrophobicContact CB-CE 4.17Å; H208-M538 HydrophobicContact CB-CG 4.26Å; H208-M538 WeakPolarHBondContact CD2-CG 3.47Å
209	Q	76	Confident	80.4	Confident	126 Å²	126	32.6 Å²	32.6	59%	0.589	20%	0.198	S	C	*	.	H	α-helix	trans	-59	-45.6	177.1	-67.3	173.6	9.5	0	0	111.7	Q205 V206 C211 E212 A213	Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.44Å; Q205-Q209 VanDerWaalsContact O-N 3.17Å; V206-Q209 PolarHBondContact O-N 2.98Å; Q209-C211 PolarHBondContact O-N 3.02Å; Q209-E212 PolarHBondContact O-N 3.23Å; Q209-A213 PolarHBondContact O-N 3.27Å
210	A	80.5	Confident	80.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-40.2	176.6	0	0	0	0	0	113.1	T144 L167 V206 L207 H208 A213 A214	T144-A210 HydrophobicContact CG2-CB 3.81Å; L167-A210 HydrophobicContact CD1-CB 3.86Å; V206-A210 PolarHBondContact O-N 3.34Å; L207-A210 PolarHBondContact O-N 2.88Å; H208-A210 PolarHBondContact O-N 3.34Å; A210-A213 PolarHBondContact O-N 2.88Å; A210-A214 WeakPolarHBondContact O-CB 3.34Å; A210-A214 PolarHBondContact O-N 2.94Å
211	C	82.1	Confident	79.5	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-43.6	176	-67.2	0	0	0	0	111.8	T171 L207 H208 Q209 A214 L215	T171-C211 VanDerWaalsContact CG2-SG 3.5Å; L207-C211 WeakPolarHBondContact O-CB 3.16Å; L207-C211 PolarHBondContact O-N 3.14Å; L207-C211 PolarHBondContact O-SG 2.86Å; H208-C211 PolarHBondContact O-N 3.2Å; Q209-C211 PolarHBondContact O-N 3.02Å; C211-A214 PolarHBondContact O-N 3.2Å; C211-L215 VanDerWaalsContact O-CG 3.26Å; C211-L215 WeakPolarHBondContact O-CG 3.45Å; C211-L215 PolarHBondContact O-N 3.35Å
212	E	76	Confident	78.6	Confident	84 Å²	84	41.6 Å²	41.6	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-32.6	178.8	-60.5	-61.8	132	0	0	112.2	H208 Q209 G216 R535	H208-E212 VanDerWaalsContact CE1-CG 3.42Å; H208-E212 WeakPolarHBondContact CE1-CG 3.47Å; H208-E212 IonicContact CE1-OE1 2.8Å; H208-E212 IonicContact ND1-OE1 2.78Å; H208-E212 WeakPolarHBondContact O-CG 3.43Å; H208-E212 PolarHBondContact O-N 3.38Å; Q209-E212 PolarHBondContact O-N 3.23Å; E212-G216 PolarHBondContact O-N 2.98Å; E212-R535 IonicContact OE1-NE 3.24Å; E212-R535 IonicContact OE1-NH1 3.94Å
213	A	76.4	Confident	78	Confident	24 Å²	24	42.6 Å²	42.6	20%	0.198	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-42.8	170.8	0	0	0	0	0	112.7	D142 Q209 A210 G216 S217	D142-A213 HydrophobicContact CB-CB 4.35Å; Q209-A213 PolarHBondContact O-N 3.27Å; A210-A213 PolarHBondContact O-N 2.88Å; A213-G216 PolarHBondContact O-N 3.4Å; A213-S217 WeakPolarHBondContact O-CB 3.46Å; A213-S217 PolarHBondContact O-N 2.97Å; A213-S217 PolarHBondContact O-OG 3.37Å
214	A	82.5	Confident	77.2	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-33.3	177.3	0	0	0	0	0	113	L167 A210 C211 S218 L219	L167-A214 WeakPolarHBondContact O-CB 3.46Å; A210-A214 WeakPolarHBondContact O-CB 3.34Å; A210-A214 PolarHBondContact O-N 2.94Å; C211-A214 PolarHBondContact O-N 3.2Å; A214-S218 PolarHBondContact O-N 3.01Å; A214-S218 VanDerWaalsContact O-N 3.12Å; A214-L219 HydrophobicContact CB-CD1 4.03Å; A214-L219 HydrophobicContact CB-CG 4.38Å; A214-L219 PolarHBondContact O-N 3.22Å
215	L	79.3	Confident	76.7	Confident	52 Å²	52	48.4 Å²	48.4	27%	0.272	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-52.7	170.4	-71.1	164.9	0	0	0	112	S169 C211 S217 S218	S169-L215 VanDerWaalsContact O-CD2 3.23Å; S169-L215 WeakPolarHBondContact O-CD2 3.4Å; C211-L215 VanDerWaalsContact O-CG 3.26Å; C211-L215 WeakPolarHBondContact O-CG 3.45Å; C211-L215 PolarHBondContact O-N 3.35Å; L215-S217 PolarHBondContact O-N 2.87Å; L215-S218 PolarHBondContact O-N 3.19Å
216	G	74.9	Confident	76.7	Confident	70 Å²	70	45.8 Å²	45.8	72%	0.722	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-32.9	-179.2	0	0	0	0	0	112.6	E212 A213	E212-G216 PolarHBondContact O-N 2.98Å; A213-G216 PolarHBondContact O-N 3.4Å
217	S	74.6	Confident	76.8	Confident	33 Å²	33	49 Å²	49	23%	0.231	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.9	175.8	-49.1	0	0	0	0	114	A213 L215 L219	A213-S217 WeakPolarHBondContact O-CB 3.46Å; A213-S217 PolarHBondContact O-N 2.97Å; A213-S217 PolarHBondContact O-OG 3.37Å; L215-S217 PolarHBondContact O-N 2.87Å; S217-L219 PolarHBondContact O-N 3.31Å
218	S	77.8	Confident	76.9	Confident	85 Å²	85	49.7 Å²	49.7	59%	0.594	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	47	-177.1	-59.6	0	0	0	0	114.2	A214 L215 V220	A214-S218 PolarHBondContact O-N 3.01Å; A214-S218 VanDerWaalsContact O-N 3.12Å; L215-S218 PolarHBondContact O-N 3.19Å; S218-V220 PolarHBondContact O-N 2.84Å; S218-V220 VanDerWaalsContact O-N 3.12Å
219	L	76.8	Confident	77.2	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	33%	0.326	C	S	.	.			trans	-71.6	103.9	-176.6	-53.3	-174.6	0	0	0	111.4	E143 W168 S169 A214 S217 A225 L226	E143-L219 HydrophobicContact CG-CD1 4.3Å; W168-L219 CarbonylContact C-O 3.47Å; W168-L219 WeakPolarHBondContact CA-O 3.4Å; W168-L219 WeakPolarHBondContact CB-O 3.33Å; W168-L219 HydrophobicContact CE3-CB 4.27Å; S169-L219 PolarHBondContact N-O 2.92Å; S169-L219 PolarHBondContact OG-O 2.92Å; A214-L219 HydrophobicContact CB-CD1 4.03Å; A214-L219 HydrophobicContact CB-CG 4.38Å; A214-L219 PolarHBondContact O-N 3.22Å; S217-L219 PolarHBondContact O-N 3.31Å; L219-A225 HydrophobicContact CD2-CB 3.93Å; L219-L226 HydrophobicContact CD1-CD1 4.02Å
220	V	78.8	Confident	77.7	Confident	87 Å²	87	44.2 Å²	44.2	53%	0.527	32%	0.317	S	S	.	.			trans	-102.8	137.5	-179.4	178	0	0	0	0	111.2	W168 S218 G222 G223	W168-V220 VanDerWaalsContact CE3-C 3.46Å; W168-V220 WeakPolarHBondContact CZ3-O 3.1Å; S218-V220 PolarHBondContact O-N 2.84Å; S218-V220 VanDerWaalsContact O-N 3.12Å; V220-G222 PolarHBondContact O-N 2.89Å; V220-G223 PolarHBondContact O-N 2.98Å
221	P	75.1	Confident	78.1	Confident	63 Å²	63	47.8 Å²	47.8	41%	0.409	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	130.3	174.9	-25	32	0	0	0	112.8	W168	W168-P221 HydrophobicContact CB-CG 4.2Å; W168-P221 HydrophobicContact CD2-CB 4.23Å; W168-P221 HydrophobicContact CD2-CG 3.75Å; W168-P221 HydrophobicContact CE3-CG 4.31Å; W168-P221 HydrophobicContact CG-CG 3.68Å; W168-P221 HydrophobicContact CZ2-CB 4.4Å
222	G	65.8	Low	78.5	Confident	81 Å²	81	47.7 Å²	47.7	84%	0.835	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	4.7	179.3	0	0	0	0	0	115.6	V220	V220-G222 PolarHBondContact O-N 2.89Å
223	G	67.8	Low	79.1	Confident	45 Å²	45	48.6 Å²	48.6	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	-74.4	-173.4	163.9	0	0	0	0	0	113.2	V220 A225	V220-G223 PolarHBondContact O-N 2.98Å; G223-A225 PolarHBondContact O-N 2.9Å
224	S	69.4	Low	79.7	Confident	111 Å²	111	55.4 Å²	55.4	78%	0.776	36%	0.364	S	S	*	.	S	Bend	trans	-73.5	-13.9	169.2	54.5	0	0	0	0	113.6	T227	S224-T227 WeakPolarHBondContact O-CG2 3.45Å; S224-T227 PolarHBondContact O-OG1 3.36Å
225	A	74	Confident	80	Confident	12 Å²	12	60.3 Å²	60.3	10%	0.099	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	149.6	178.4	0	0	0	0	0	112.6	E143 L219 G223 T227	E143-A225 WeakPolarHBondContact OE1-CA 3.35Å; E143-A225 WeakPolarHBondContact OE1-CB 3.32Å; L219-A225 HydrophobicContact CD2-CB 3.93Å; G223-A225 PolarHBondContact O-N 2.9Å; A225-T227 PolarHBondContact O-N 3.29Å
226	L	79.6	Confident	80.5	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	18.5	176.5	-70.8	157.7	0	0	0	114.4	E143 T144 V145 P166 W168 L219 W228 A229	E143-L226 HydrophobicContact CB-CD2 3.86Å; E143-L226 HydrophobicContact CB-CG 4.23Å; E143-L226 HydrophobicContact CG-CG 4.48Å; E143-L226 PolarHBondContact OE1-N 3.24Å; E143-L226 VanDerWaalsContact OE2-CA 3.3Å; E143-L226 WeakPolarHBondContact OE2-CA 3.38Å; E143-L226 PolarHBondContact OE2-N 3.13Å; T144-L226 WeakPolarHBondContact O-CD2 3.37Å; V145-L226 HydrophobicContact CG2-CD2 3.64Å; P166-L226 HydrophobicContact CB-CB 4.38Å; P166-L226 HydrophobicContact CB-CD1 4.03Å; P166-L226 HydrophobicContact CB-CD2 4.35Å; P166-L226 HydrophobicContact CB-CG 4.5Å; W168-L226 HydrophobicContact CD2-CD1 4.04Å; W168-L226 HydrophobicContact CE3-CD1 3.65Å; W168-L226 HydrophobicContact CH2-CB 3.72Å; W168-L226 HydrophobicContact CH2-CD1 4.08Å; W168-L226 HydrophobicContact CZ2-CB 4.35Å; W168-L226 HydrophobicContact CZ2-CD1 4.43Å; W168-L226 HydrophobicContact CZ3-CB 3.95Å; W168-L226 HydrophobicContact CZ3-CD1 3.68Å; W168-L226 HydrophobicContact CZ3-CG 4.36Å; L219-L226 HydrophobicContact CD1-CD1 4.02Å; L226-W228 HydrophobicContact CD2-CZ2 4.05Å; L226-W228 PolarHBondContact O-N 3.03Å; L226-A229 WeakPolarHBondContact O-CB 3.33Å; L226-A229 PolarHBondContact O-N 3.16Å
227	T	81.2	Confident	81.2	Confident	91 Å²	91	62.5 Å²	62.5	56%	0.558	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.7	179	43.2	0	0	0	0	112.9	S224 A225 A229 S230	S224-T227 WeakPolarHBondContact O-CG2 3.45Å; S224-T227 PolarHBondContact O-OG1 3.36Å; A225-T227 PolarHBondContact O-N 3.29Å; T227-A229 PolarHBondContact O-N 2.8Å; T227-S230 WeakPolarHBondContact O-CB 3.41Å; T227-S230 PolarHBondContact O-N 3.45Å; T227-S230 PolarHBondContact O-OG 3.23Å
228	W	86.4	Confident	81.9	Confident	14 Å²	14	61.2 Å²	61.2	5%	0.053	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15	170.6	63.2	-90.8	0	0	0	114.1	V131 T133 E143 V145 L226 S230 H231 Y232	V131-W228 HydrophobicContact CG1-CH2 4.3Å; V131-W228 HydrophobicContact CG1-CZ3 4.4Å; T133-W228 HydrophobicContact CG2-CD2 4.42Å; T133-W228 HydrophobicContact CG2-CZ2 4.05Å; E143-W228 HydrophobicContact CB-CZ2 4.26Å; E143-W228 VanDerWaalsContact OE2-CD1 3.25Å; E143-W228 PolarHBondContact OE2-NE1 2.89Å; V145-W228 HydrophobicContact CB-CH2 3.65Å; V145-W228 HydrophobicContact CB-CZ2 4.37Å; V145-W228 HydrophobicContact CB-CZ3 3.94Å; V145-W228 HydrophobicContact CG2-CE3 4.22Å; V145-W228 HydrophobicContact CG2-CH2 3.36Å; V145-W228 HydrophobicContact CG2-CZ2 3.65Å; V145-W228 HydrophobicContact CG2-CZ3 3.66Å; L226-W228 HydrophobicContact CD2-CZ2 4.05Å; L226-W228 PolarHBondContact O-N 3.03Å; W228-S230 PolarHBondContact O-N 3.08Å; W228-H231 VanDerWaalsContact O-CB 3.27Å; W228-H231 WeakPolarHBondContact O-CB 3.27Å; W228-H231 PolarHBondContact O-N 2.85Å; W228-Y232 HydrophobicContact CE3-CD2 4.03Å; W228-Y232 AromaticContact CE3-CE2 3.72Å; W228-Y232 HydrophobicContact CE3-CE2 3.72Å; W228-Y232 HydrophobicContact CZ3-CD2 4.18Å; W228-Y232 AromaticContact CZ3-CE2 3.77Å; W228-Y232 HydrophobicContact CZ3-CE2 3.77Å
229	A	86.9	Confident	82.3	Confident	3 Å²	3	61.1 Å²	61.1	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-32.4	173.4	0	0	0	0	0	111.9	V145 V164 P166 L226 T227 H231 Y232 Q233	V145-A229 HydrophobicContact CG2-CB 3.77Å; V164-A229 HydrophobicContact CG1-CB 4.36Å; P166-A229 HydrophobicContact CB-CB 4.49Å; P166-A229 HydrophobicContact CG-CB 3.78Å; L226-A229 WeakPolarHBondContact O-CB 3.33Å; L226-A229 PolarHBondContact O-N 3.16Å; T227-A229 PolarHBondContact O-N 2.8Å; A229-H231 PolarHBondContact O-N 3.11Å; A229-Y232 WeakPolarHBondContact O-CB 3.44Å; A229-Y232 PolarHBondContact O-N 3.35Å; A229-Q233 PolarHBondContact O-N 2.74Å
230	S	85.8	Confident	82.8	Confident	55 Å²	55	67 Å²	67	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-56.9	-37.1	176	-53.9	0	0	0	0	112.4	T227 W228 Y232 Q233 E234	T227-S230 WeakPolarHBondContact O-CB 3.41Å; T227-S230 PolarHBondContact O-N 3.45Å; T227-S230 PolarHBondContact O-OG 3.23Å; W228-S230 PolarHBondContact O-N 3.08Å; S230-Y232 PolarHBondContact O-N 3.38Å; S230-Q233 PolarHBondContact O-N 3.41Å; S230-E234 WeakPolarHBondContact O-CG 3.15Å; S230-E234 PolarHBondContact O-N 2.89Å
231	H	87.7	Confident	83.1	Confident	75 Å²	75	64.5 Å²	64.5	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-28.5	176.2	175.4	-105	0	0	0	113	R106 W228 A229 R235	R106-H231 WeakPolarHBondContact CD-ND1 3.36Å; R106-H231 WeakPolarHBondContact CG-CE1 3.32Å; R106-H231 WeakPolarHBondContact CG-ND1 3.37Å; W228-H231 VanDerWaalsContact O-CB 3.27Å; W228-H231 WeakPolarHBondContact O-CB 3.27Å; W228-H231 PolarHBondContact O-N 2.85Å; A229-H231 PolarHBondContact O-N 3.11Å; H231-R235 PolarHBondContact CD2-NH1 2.86Å; H231-R235 VanDerWaalsContact CD2-NH1 3.25Å; H231-R235 PolarHBondContact CE1-NH1 3.48Å; H231-R235 VanDerWaalsContact CE1-NH1 3.29Å; H231-R235 PolarHBondContact CE1-NH2 2.91Å; H231-R235 PolarHBondContact ND1-NH2 3.47Å; H231-R235 VanDerWaalsContact ND1-NH2 3.15Å; H231-R235 PolarHBondContact NE2-NH1 3.5Å; H231-R235 PolarHBondContact O-NH1 3.2Å; H231-R235 PolarHBondContact O-NH2 3.34Å
232	Y	91.1	Very high	83.6	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-88.1	-38.6	172.2	-68.9	-79.9	0	0	0	111.7	L105 R106 D109 L147 L161 W228 A229 S230 E234 R235 L236	L105-Y232 VanDerWaalsContact CA-OH 3.3Å; L105-Y232 WeakPolarHBondContact CA-OH 3.26Å; R106-Y232 PolarHBondContact N-OH 3.09Å; D109-Y232 VanDerWaalsContact OD2-CE2 3.31Å; D109-Y232 WeakPolarHBondContact OD2-CE2 3.26Å; D109-Y232 PolarHBondContact OD2-OH 3.13Å; L147-Y232 HydrophobicContact CD1-CD1 3.84Å; L147-Y232 HydrophobicContact CD1-CE1 3.82Å; L147-Y232 HydrophobicContact CD1-CG 4.3Å; L147-Y232 HydrophobicContact CD2-CD1 4.21Å; L147-Y232 HydrophobicContact CD2-CD2 4.5Å; L147-Y232 HydrophobicContact CD2-CG 3.99Å; L161-Y232 HydrophobicContact CD2-CD1 4.23Å; L161-Y232 VanDerWaalsContact CD2-O 3.24Å; L161-Y232 WeakPolarHBondContact CD2-O 3.44Å; W228-Y232 HydrophobicContact CE3-CD2 4.03Å; W228-Y232 AromaticContact CE3-CE2 3.72Å; W228-Y232 HydrophobicContact CE3-CE2 3.72Å; W228-Y232 HydrophobicContact CZ3-CD2 4.18Å; W228-Y232 AromaticContact CZ3-CE2 3.77Å; W228-Y232 HydrophobicContact CZ3-CE2 3.77Å; A229-Y232 WeakPolarHBondContact O-CB 3.44Å; A229-Y232 PolarHBondContact O-N 3.35Å; S230-Y232 PolarHBondContact O-N 3.38Å; Y232-E234 VanDerWaalsContact C-N 3.29Å; Y232-E234 PolarHBondContact O-N 3.11Å; Y232-R235 CarbonylContact O-C 3.52Å; Y232-R235 PolarHBondContact O-N 2.76Å; Y232-L236 PolarHBondContact O-N 2.6Å
233	Q	89.5	Confident	84.5	Confident	103 Å²	103	59.4 Å²	59.4	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-33.1	-178.1	-164.5	171	-4.9	0	0	112.9	A229 S230 R235 L236	A229-Q233 PolarHBondContact O-N 2.74Å; S230-Q233 PolarHBondContact O-N 3.41Å; Q233-R235 PolarHBondContact O-N 2.74Å; Q233-L236 HydrophobicContact CG-CD1 4.42Å
234	E	88.8	Confident	85.4	Confident	167 Å²	167	61.8 Å²	61.8	78%	0.78	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.3	172.3	-70.9	174.3	-174.5	0	0	114	S230 Y232	S230-E234 WeakPolarHBondContact O-CG 3.15Å; S230-E234 PolarHBondContact O-N 2.89Å; Y232-E234 VanDerWaalsContact C-N 3.29Å; Y232-E234 PolarHBondContact O-N 3.11Å
235	R	88.2	Confident	86.3	Confident	105 Å²	105	58.4 Å²	58.4	40%	0.396	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	25.2	179.6	-68.2	-161.6	-56.3	-79.2	-15.3	113.9	H231 Y232 Q233 N237	H231-R235 PolarHBondContact CD2-NH1 2.86Å; H231-R235 VanDerWaalsContact CD2-NH1 3.25Å; H231-R235 PolarHBondContact CE1-NH1 3.48Å; H231-R235 VanDerWaalsContact CE1-NH1 3.29Å; H231-R235 PolarHBondContact CE1-NH2 2.91Å; H231-R235 PolarHBondContact ND1-NH2 3.47Å; H231-R235 VanDerWaalsContact ND1-NH2 3.15Å; H231-R235 PolarHBondContact NE2-NH1 3.5Å; H231-R235 PolarHBondContact O-NH1 3.2Å; H231-R235 PolarHBondContact O-NH2 3.34Å; Y232-R235 CarbonylContact O-C 3.52Å; Y232-R235 PolarHBondContact O-N 2.76Å; Q233-R235 PolarHBondContact O-N 2.74Å; R235-N237 PolarHBondContact O-N 2.71Å; R235-N237 VanDerWaalsContact O-N 3.12Å
236	L	89.4	Confident	86.9	Confident	73 Å²	73	58.4 Å²	58.4	38%	0.382	30%	0.296	S	S	.	.			trans	-59.7	113.3	164.2	-72.8	169.9	0	0	0	109.3	L161 V164 Y232 Q233	L161-L236 HydrophobicContact CD2-CD2 4.4Å; L161-L236 HydrophobicContact CG-CD2 4.15Å; L161-L236 CarbonylContact O-C 3.47Å; L161-L236 WeakPolarHBondContact O-CA 3.5Å; V164-L236 HydrophobicContact CG2-CD2 4.16Å; Y232-L236 PolarHBondContact O-N 2.6Å; Q233-L236 HydrophobicContact CG-CD1 4.42Å
237	N	90.4	Very high	87	Confident	95 Å²	95	61.5 Å²	61.5	51%	0.508	32%	0.316	S	S	.	.			trans	-137.5	6.2	-171.6	71.1	-13.4	0	0	0	114.4	T160 L161 R235	T160-N237 VanDerWaalsContact CA-OD1 3.27Å; T160-N237 WeakPolarHBondContact CA-OD1 3.27Å; T160-N237 VanDerWaalsContact CB-OD1 3.24Å; T160-N237 WeakPolarHBondContact CB-OD1 3.26Å; L161-N237 PolarHBondContact N-OD1 3.48Å; L161-N237 PolarHBondContact O-N 2.99Å; R235-N237 PolarHBondContact O-N 2.71Å; R235-N237 VanDerWaalsContact O-N 3.12Å
238	S	89.6	Confident	86.7	Confident	6 Å²	6	60 Å²	60	4%	0.042	31%	0.312	C	S	.	.	S	Bend	trans	-65.4	152.6	167.5	-68.8	0	0	0	0	112	D150 T160 L161 G162 L243	D150-S238 VanDerWaalsContact OD2-CB 3.27Å; D150-S238 WeakPolarHBondContact OD2-CB 3.42Å; D150-S238 PolarHBondContact OD2-OG 2.58Å; T160-S238 WeakPolarHBondContact CB-OG 3.26Å; T160-S238 PolarHBondContact O-OG 2.87Å; T160-S238 WeakPolarHBondContact OG1-CA 3.19Å; T160-S238 PolarHBondContact OG1-OG 3.06Å; L161-S238 VanDerWaalsContact C-OG 3.24Å; L161-S238 PolarHBondContact O-N 3.04Å; L161-S238 VanDerWaalsContact O-N 3.11Å; L161-S238 PolarHBondContact O-OG 2.92Å; G162-S238 WeakPolarHBondContact CA-OG 3.29Å; G162-S238 PolarHBondContact N-OG 3.03Å; S238-L243 WeakPolarHBondContact O-CD1 3.04Å; S238-L243 WeakPolarHBondContact O-CG 3.29Å
239	D	86.6	Confident	85.5	Confident	83 Å²	83	65 Å²	65	44%	0.444	34%	0.338	S	S	.	.			trans	-49	147.7	173.6	-67.5	-26.3	0	0	0	112.4	R124 S241 C242 L243	R124-D239 IonicContact CZ-OD2 3.54Å; R124-D239 IonicContact NH1-OD2 3.41Å; R124-D239 PolarHBondContact NH1-OD2 3.27Å; R124-D239 IonicContact NH2-OD2 2.72Å; R124-D239 PolarHBondContact NH2-OD2 3.33Å; D239-S241 WeakPolarHBondContact CB-OG 3.38Å; D239-S241 PolarHBondContact O-N 3.06Å; D239-C242 CarbonylContact O-C 3.59Å; D239-C242 WeakPolarHBondContact O-CA 3.33Å; D239-C242 WeakPolarHBondContact O-CB 3.45Å; D239-C242 PolarHBondContact O-N 3.03Å; D239-L243 WeakPolarHBondContact O-CG 3.01Å; D239-L243 PolarHBondContact O-N 2.72Å
240	Q	86.4	Confident	83.9	Confident	128 Å²	128	66.7 Å²	66.7	60%	0.598	35%	0.352	S	S	*	.	H	α-helix	trans	-53.2	-31	171.7	-169.7	65.1	62	0	0	112.7	N244	Q240-N244 PolarHBondContact NE2-OD1 2.85Å; Q240-N244 WeakPolarHBondContact O-CB 3.44Å; Q240-N244 PolarHBondContact O-N 3.01Å; Q240-N244 PolarHBondContact O-OD1 2.71Å
241	S	85.2	Confident	81.9	Confident	36 Å²	36	70.3 Å²	70.3	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-42.4	173.8	55.5	0	0	0	0	112.5	R121 D239 E245	R121-S241 PolarHBondContact NH2-O 3.2Å; D239-S241 WeakPolarHBondContact CB-OG 3.38Å; D239-S241 PolarHBondContact O-N 3.06Å; S241-E245 PolarHBondContact O-N 2.98Å
242	C	84.8	Confident	79.8	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.007	39%	0.392	C	S	.	.	H	α-helix	trans	-74.5	-41.3	174.8	-80.4	0	0	0	0	112.3	R124 R126 D150 D239 N244 E245 W246	R124-C242 PolarHBondContact NH1-SG 3.42Å; R126-C242 PolarHBondContact NH2-O 2.67Å; D150-C242 VanDerWaalsContact CG-SG 3.57Å; D150-C242 WeakPolarHBondContact OD1-CB 3.23Å; D150-C242 PolarHBondContact OD1-SG 2.86Å; D239-C242 CarbonylContact O-C 3.59Å; D239-C242 WeakPolarHBondContact O-CA 3.33Å; D239-C242 WeakPolarHBondContact O-CB 3.45Å; D239-C242 PolarHBondContact O-N 3.03Å; C242-N244 VanDerWaalsContact C-N 3.32Å; C242-N244 PolarHBondContact O-N 2.73Å; C242-E245 CarbonylContact O-C 3.59Å; C242-E245 PolarHBondContact O-N 3.2Å; C242-E245 VanDerWaalsContact O-N 3.11Å; C242-W246 PolarHBondContact O-N 3.38Å
243	L	86.5	Confident	77.2	Confident	36 Å²	36	83.3 Å²	83.3	19%	0.188	43%	0.433	C	S	.	.	H	α-helix	trans	-59.2	-43.5	175.8	-64.6	177.1	0	0	0	111.2	G162 S238 D239 E245 W246 T247	G162-L243 WeakPolarHBondContact O-CD2 3.41Å; S238-L243 WeakPolarHBondContact O-CD1 3.04Å; S238-L243 WeakPolarHBondContact O-CG 3.29Å; D239-L243 WeakPolarHBondContact O-CG 3.01Å; D239-L243 PolarHBondContact O-N 2.72Å; L243-E245 VanDerWaalsContact C-N 3.31Å; L243-E245 PolarHBondContact O-N 3.38Å; L243-W246 PolarHBondContact O-N 2.83Å; L243-T247 WeakPolarHBondContact O-CB 2.99Å; L243-T247 PolarHBondContact O-N 3.47Å; L243-T247 PolarHBondContact O-OG1 3.43Å
244	N	86.3	Confident	74.8	Confident	94 Å²	94	83.6 Å²	83.6	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-41.2	174.1	-71.2	-0	0	0	0	111.8	Q240 C242 T247 A248	Q240-N244 PolarHBondContact NE2-OD1 2.85Å; Q240-N244 WeakPolarHBondContact O-CB 3.44Å; Q240-N244 PolarHBondContact O-N 3.01Å; Q240-N244 PolarHBondContact O-OD1 2.71Å; C242-N244 VanDerWaalsContact C-N 3.32Å; C242-N244 PolarHBondContact O-N 2.73Å; N244-T247 PolarHBondContact O-N 3.11Å; N244-A248 PolarHBondContact O-N 2.63Å
245	E	87.4	Confident	72.2	Confident	41 Å²	41	83 Å²	83	19%	0.192	45%	0.447	C	S	.	.	H	α-helix	trans	-73.2	-30.1	-178.5	-160	-174.3	126.7	0	0	112.4	A120 R121 R126 S241 C242 L243	A120-E245 HydrophobicContact CB-CG 4.21Å; A120-E245 PolarHBondContact N-OE1 2.78Å; R121-E245 IonicContact CZ-OE2 3.46Å; R121-E245 IonicContact NE-OE2 3.39Å; R121-E245 PolarHBondContact NE-OE2 3.3Å; R121-E245 IonicContact NH2-OE2 2.68Å; R121-E245 PolarHBondContact NH2-OE2 3.09Å; R126-E245 IonicContact CZ-OE1 3.87Å; R126-E245 IonicContact NE-OE1 3.56Å; R126-E245 IonicContact NH1-OE1 2.77Å; R126-E245 PolarHBondContact NH1-OE1 2.91Å; S241-E245 PolarHBondContact O-N 2.98Å; C242-E245 CarbonylContact O-C 3.59Å; C242-E245 PolarHBondContact O-N 3.2Å; C242-E245 VanDerWaalsContact O-N 3.11Å; L243-E245 VanDerWaalsContact C-N 3.31Å; L243-E245 PolarHBondContact O-N 3.38Å
246	W	86.8	Confident	69.6	Low	11 Å²	11	88.8 Å²	88.8	4%	0.042	47%	0.469	C	S	.	.	H	α-helix	trans	-74.9	-27.7	166.6	-72.1	121	0	0	0	113	L117 R126 G148 D150 G162 L163 R190 F192 C242 L243	L117-W246 HydrophobicContact CD1-CH2 3.77Å; L117-W246 HydrophobicContact CD1-CZ3 3.62Å; R126-W246 HydrophobicContact CB-CH2 4.41Å; R126-W246 HydrophobicContact CB-CZ2 4.33Å; G148-W246 VanDerWaalsContact CA-CH2 3.49Å; G148-W246 VanDerWaalsContact CA-CZ2 3.43Å; D150-W246 PolarHBondContact OD1-NE1 3.09Å; D150-W246 PolarHBondContact OD2-NE1 2.96Å; G162-W246 VanDerWaalsContact O-CD1 3.24Å; L163-W246 HydrophobicContact CB-CB 4.13Å; L163-W246 HydrophobicContact CB-CD2 3.92Å; L163-W246 HydrophobicContact CB-CE3 4.11Å; L163-W246 HydrophobicContact CB-CG 3.96Å; L163-W246 HydrophobicContact CD2-CE3 3.92Å; L163-W246 HydrophobicContact CD2-CZ3 4.42Å; R190-W246 WeakPolarHBondContact CD-O 3.42Å; F192-W246 HydrophobicContact CD1-CZ3 4.12Å; F192-W246 HydrophobicContact CE1-CE3 4.28Å; F192-W246 AromaticContact CE1-CZ3 3.97Å; F192-W246 HydrophobicContact CE1-CZ3 3.97Å; C242-W246 PolarHBondContact O-N 3.38Å; L243-W246 PolarHBondContact O-N 2.83Å
247	T	82.3	Confident	67.4	Low	71 Å²	71	90.8 Å²	90.8	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-86.6	-12.8	-175.9	-59.4	0	0	0	0	112.8	R190 L243 N244 M249	R190-T247 PolarHBondContact NH1-O 3.29Å; R190-T247 VanDerWaalsContact NH1-O 3.14Å; L243-T247 WeakPolarHBondContact O-CB 2.99Å; L243-T247 PolarHBondContact O-N 3.47Å; L243-T247 PolarHBondContact O-OG1 3.43Å; N244-T247 PolarHBondContact O-N 3.11Å; T247-M249 WeakPolarHBondContact O-CG 3.44Å; T247-M249 PolarHBondContact O-N 2.88Å
248	A	75.4	Confident	64.7	Low	58 Å²	58	91.6 Å²	91.6	48%	0.479	50%	0.497	S	S	.	.			trans	-51.2	126.3	-179.6	0	0	0	0	0	112.5	N244	N244-A248 PolarHBondContact O-N 2.63Å
249	M	60.8	Low	62.2	Low	119 Å²	119	97.2 Å²	97.2	59%	0.586	54%	0.536	S	S	*	.			trans	-106.3	158.2	179.5	-53.3	-162.6	-43.9	0	0	110.7	T247 D251	T247-M249 WeakPolarHBondContact O-CG 3.44Å; T247-M249 PolarHBondContact O-N 2.88Å; M249-D251 PolarHBondContact O-N 2.75Å; M249-D251 VanDerWaalsContact O-N 3.17Å
250	A	52.9	Low	60.2	Low	39 Å²	39	96.5 Å²	96.5	32%	0.322	54%	0.542	S	S	.	.	S	Bend	trans	-67.1	-15.1	-171.9	0	0	0	0	0	115.6	I191 L252	I191-A250 HydrophobicContact CD1-CB 3.93Å; A250-L252 PolarHBondContact O-N 3.17Å
251	D	44.1	Very low	58.3	Low	131 Å²	131	98.5 Å²	98.5	70%	0.701	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	9.6	-152.8	-54.6	-30.3	0	0	0	115.6	M249	M249-D251 PolarHBondContact O-N 2.75Å; M249-D251 VanDerWaalsContact O-N 3.17Å
252	L	43	Very low	56.6	Low	169 Å²	169	102.6 Å²	102.6	89%	0.885	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-15.4	-177.8	-92.5	162.8	0	0	0	115.9	A250	A250-L252 PolarHBondContact O-N 3.17Å
253	E	37.8	Very low	55.1	Low	184 Å²	184	104.9 Å²	104.9	86%	0.86	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	8.2	177.3	-66.3	-165.5	160.4	0	0	113.9	L255	E253-L255 PolarHBondContact O-N 2.99Å
254	S	38.8	Very low	53.9	Low	108 Å²	108	112 Å²	112	76%	0.755	63%	0.625	S	S	*	*			trans	-70.9	73.4	160.1	-168	0	0	0	0	110	R256	S254-R256 PolarHBondContact O-N 3.4Å
255	L	34.6	Very low	52.8	Low	156 Å²	156	112 Å²	112	82%	0.817	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.2	161.5	-73.8	173.8	0	0	0	107.3	E253	E253-L255 PolarHBondContact O-N 2.99Å
256	R	33.2	Very low	52	Low	225 Å²	225	112.8 Å²	112.8	85%	0.849	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-46.2	134.7	164.8	-78.2	-178.2	177	155	-1.4	107.7	S254 P258	S254-R256 PolarHBondContact O-N 3.4Å; R256-P258 VanDerWaalsContact O-N 3.12Å
257	P	41.7	Very low	51.6	Low	116 Å²	116	117 Å²	117	75%	0.753	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-47.2	126.6	159.3	-24.2	33.8	0	0	0	107.1	S259	P257-S259 PolarHBondContact O-N 2.88Å
258	P	34.3	Very low	51.4	Low	111 Å²	111	116.7 Å²	116.7	72%	0.721	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.4	133.2	173.5	24.4	-33	0	0	0	106.4	R256 A260	R256-P258 VanDerWaalsContact O-N 3.12Å; P258-A260 PolarHBondContact O-N 2.78Å
259	S	37.9	Very low	51.5	Low	124 Å²	124	119.4 Å²	119.4	87%	0.867	66%	0.657	S	S	*	*			trans	-63.7	87.4	-168.5	50.3	0	0	0	0	110.3	P257	P257-S259 PolarHBondContact O-N 2.88Å
260	A	44.8	Very low	52.6	Low	69 Å²	69	119.2 Å²	119.2	57%	0.57	65%	0.654	S	S	*	*			trans	-78.3	130.2	179.7	0	0	0	0	0	108.1	P258	P258-A260 PolarHBondContact O-N 2.78Å
261	E	46.7	Very low	54.1	Low	170 Å²	170	119.4 Å²	119.4	79%	0.794	65%	0.649	S	S	*	*			trans	-48	130.5	165	-66.1	-60.5	136.6	0	0	108.7	G263	E261-G263 VanDerWaalsContact C-N 3.35Å; E261-G263 PolarHBondContact O-N 2.88Å
262	P	48.8	Very low	56.1	Low	122 Å²	122	114.6 Å²	114.6	79%	0.792	62%	0.622	S	S	*	*			trans	-65.7	97	-179.5	26	-33	0	0	0	109.3
263	G	53.3	Low	57.8	Low	49 Å²	49	113.1 Å²	113.1	51%	0.505	61%	0.611	S	S	.	*			trans	-52.7	152	175.4	0	0	0	0	0	110.9	E261	E261-G263 VanDerWaalsContact C-N 3.35Å; E261-G263 PolarHBondContact O-N 2.88Å
264	R	61.2	Low	60.1	Low	185 Å²	185	106.1 Å²	106.1	70%	0.698	59%	0.585	S	S	*	*			trans	-62.6	137.8	-175.7	-61.2	176.1	172.1	176.8	-3.5	107.9	S266 E267 Q268	R264-S266 PolarHBondContact O-N 2.85Å; R264-E267 HydrophobicContact CB-CG 4.14Å; R264-E267 WeakPolarHBondContact CD-OE1 3.42Å; R264-E267 PolarHBondContact N-OE2 3.49Å; R264-E267 WeakPolarHBondContact O-CA 3.42Å; R264-E267 WeakPolarHBondContact O-CB 3.14Å; R264-E267 PolarHBondContact O-N 3.29Å; R264-Q268 PolarHBondContact O-N 3.33Å
265	P	62.2	Low	62.4	Low	93 Å²	93	101 Å²	101	60%	0.604	55%	0.549	S	S	*	.	H	α-helix	trans	-54.4	-35.7	-173.4	16.6	-29.8	0	0	0	112.7	E267 Q268 E269	P265-E267 VanDerWaalsContact C-N 3.33Å; P265-E267 PolarHBondContact O-N 3.11Å; P265-Q268 WeakPolarHBondContact O-CB 3.41Å; P265-Q268 PolarHBondContact O-N 3.05Å; P265-Q268 VanDerWaalsContact O-N 3.17Å; P265-E269 VanDerWaalsContact O-CG 3.28Å; P265-E269 WeakPolarHBondContact O-CG 3.17Å; P265-E269 PolarHBondContact O-N 3Å
266	S	71.3	Confident	64.7	Low	59 Å²	59	98.6 Å²	98.6	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-62	-32.5	174.1	-169.3	0	0	0	0	114.5	R264 E269 Q270	R264-S266 PolarHBondContact O-N 2.85Å; S266-E269 WeakPolarHBondContact CA-OE2 3.27Å; S266-Q270 WeakPolarHBondContact O-CB 3.32Å; S266-Q270 WeakPolarHBondContact O-CG 3.49Å; S266-Q270 PolarHBondContact O-N 2.92Å; S266-Q270 PolarHBondContact O-NE2 3.32Å; S266-Q270 VanDerWaalsContact O-NE2 3.09Å; S266-Q270 PolarHBondContact OG-NE2 3.03Å; S266-Q270 VanDerWaalsContact OG-NE2 3.09Å
267	E	78	Confident	66.9	Low	98 Å²	98	90.5 Å²	90.5	46%	0.458	51%	0.51	S	S	.	.	H	α-helix	trans	-71	-37.4	175.6	-64.3	159.3	177.4	0	0	110.6	R264 P265 M271	R264-E267 HydrophobicContact CB-CG 4.14Å; R264-E267 WeakPolarHBondContact CD-OE1 3.42Å; R264-E267 PolarHBondContact N-OE2 3.49Å; R264-E267 WeakPolarHBondContact O-CA 3.42Å; R264-E267 WeakPolarHBondContact O-CB 3.14Å; R264-E267 PolarHBondContact O-N 3.29Å; P265-E267 VanDerWaalsContact C-N 3.33Å; P265-E267 PolarHBondContact O-N 3.11Å; E267-M271 WeakPolarHBondContact O-CB 3.32Å; E267-M271 PolarHBondContact O-N 3.38Å
268	Q	78.3	Confident	68.9	Low	65 Å²	65	86.7 Å²	86.7	30%	0.304	48%	0.482	S	S	.	.	H	α-helix	trans	-67.3	-45.8	172.9	-169.1	-165.3	-61.1	0	0	111.3	R264 P265 Q270 M271 E272 Y311 R529	R264-Q268 PolarHBondContact O-N 3.33Å; P265-Q268 WeakPolarHBondContact O-CB 3.41Å; P265-Q268 PolarHBondContact O-N 3.05Å; P265-Q268 VanDerWaalsContact O-N 3.17Å; Q268-Q270 PolarHBondContact O-N 3.45Å; Q268-M271 PolarHBondContact O-N 3.43Å; Q268-E272 PolarHBondContact NE2-OE1 3.43Å; Q268-E272 WeakPolarHBondContact O-CB 3.27Å; Q268-E272 WeakPolarHBondContact O-CG 3.27Å; Q268-E272 PolarHBondContact O-N 3.07Å; Q268-Y311 HydrophobicContact CG-CE1 3.95Å; Q268-R529 VanDerWaalsContact NE2-NH2 3.16Å
269	E	78.6	Confident	71.4	Confident	115 Å²	115	81.4 Å²	81.4	54%	0.537	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-44.8	177.8	-72.4	162.1	178.2	0	0	111.6	P265 S266 E272 Q273	P265-E269 VanDerWaalsContact O-CG 3.28Å; P265-E269 WeakPolarHBondContact O-CG 3.17Å; P265-E269 PolarHBondContact O-N 3Å; S266-E269 WeakPolarHBondContact CA-OE2 3.27Å; E269-E272 PolarHBondContact O-N 3.47Å; E269-Q273 WeakPolarHBondContact O-CB 3.13Å; E269-Q273 PolarHBondContact O-N 3.05Å
270	Q	83.1	Confident	73.3	Confident	115 Å²	115	76.8 Å²	76.8	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-43.6	174	-74.9	168	57.1	0	0	111.9	S266 Q268 Q273 A274	S266-Q270 WeakPolarHBondContact O-CB 3.32Å; S266-Q270 WeakPolarHBondContact O-CG 3.49Å; S266-Q270 PolarHBondContact O-N 2.92Å; S266-Q270 PolarHBondContact O-NE2 3.32Å; S266-Q270 VanDerWaalsContact O-NE2 3.09Å; S266-Q270 PolarHBondContact OG-NE2 3.03Å; S266-Q270 VanDerWaalsContact OG-NE2 3.09Å; Q268-Q270 PolarHBondContact O-N 3.45Å; Q270-Q273 PolarHBondContact O-N 3.13Å; Q270-A274 WeakPolarHBondContact O-CB 3.48Å; Q270-A274 PolarHBondContact O-N 3.18Å
271	M	85.2	Confident	75	Confident	44 Å²	44	77.7 Å²	77.7	22%	0.217	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-43.8	177.4	-175.8	53.7	62.1	0	0	111.9	E267 Q268 Q273 A274 I275 L304 L306 L308 Y311	E267-M271 WeakPolarHBondContact O-CB 3.32Å; E267-M271 PolarHBondContact O-N 3.38Å; Q268-M271 PolarHBondContact O-N 3.43Å; M271-Q273 VanDerWaalsContact C-N 3.28Å; M271-Q273 PolarHBondContact O-N 3.22Å; M271-A274 PolarHBondContact O-N 2.76Å; M271-I275 HydrophobicContact CG-CD1 4.02Å; M271-I275 WeakPolarHBondContact O-CB 3.29Å; M271-I275 VanDerWaalsContact O-CG1 3.24Å; M271-I275 WeakPolarHBondContact O-CG1 3.38Å; M271-I275 PolarHBondContact O-N 2.82Å; M271-I275 HydrophobicContact SD-CD1 4.37Å; M271-I275 HydrophobicContact SD-CG1 4.34Å; M271-L304 HydrophobicContact SD-CD1 4.44Å; M271-L306 HydrophobicContact CE-CD1 3.74Å; M271-L308 HydrophobicContact SD-CD2 4.33Å; M271-Y311 HydrophobicContact CB-CE2 4.37Å; M271-Y311 HydrophobicContact CG-CD2 4.16Å; M271-Y311 HydrophobicContact CG-CE1 4.21Å; M271-Y311 HydrophobicContact CG-CE2 3.42Å; M271-Y311 VanDerWaalsContact CG-CE2 3.42Å; M271-Y311 VanDerWaalsContact CG-CZ 3.47Å
272	E	84.5	Confident	76.8	Confident	29 Å²	29	69.8 Å²	69.8	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-36.7	173.6	-76.8	-173.4	-156.5	0	0	112.5	Q268 E269 R276 Y311 F314	Q268-E272 PolarHBondContact NE2-OE1 3.43Å; Q268-E272 WeakPolarHBondContact O-CB 3.27Å; Q268-E272 WeakPolarHBondContact O-CG 3.27Å; Q268-E272 PolarHBondContact O-N 3.07Å; E269-E272 PolarHBondContact O-N 3.47Å; E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 WeakPolarHBondContact O-CD 3.35Å; E272-R276 VanDerWaalsContact O-CG 3.23Å; E272-R276 WeakPolarHBondContact O-CG 3.43Å; E272-R276 PolarHBondContact O-N 2.81Å; E272-R276 IonicContact OE2-CZ 2.74Å; E272-R276 IonicContact OE2-NH1 2.71Å; E272-R276 PolarHBondContact OE2-NH1 2.85Å; E272-R276 IonicContact OE2-NH2 3.95Å; E272-Y311 HydrophobicContact CG-CD1 4.38Å; E272-Y311 HydrophobicContact CG-CE1 4.15Å; E272-F314 HydrophobicContact CB-CE1 3.99Å; E272-F314 HydrophobicContact CB-CE2 3.94Å; E272-F314 HydrophobicContact CB-CZ 3.49Å; E272-F314 VanDerWaalsContact CB-CZ 3.49Å; E272-F314 HydrophobicContact CG-CD1 4.28Å; E272-F314 HydrophobicContact CG-CD2 3.97Å; E272-F314 HydrophobicContact CG-CE1 3.92Å; E272-F314 HydrophobicContact CG-CE2 3.57Å; E272-F314 HydrophobicContact CG-CG 4.31Å; E272-F314 HydrophobicContact CG-CZ 3.54Å; E272-F314 WeakPolarHBondContact OE2-CE2 3.34Å
273	Q	80.8	Confident	78.3	Confident	139 Å²	139	64 Å²	64	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-40.8	175.3	-169.2	175	12.4	0	0	111.7	E269 Q270 M271 R276 A277	E269-Q273 WeakPolarHBondContact O-CB 3.13Å; E269-Q273 PolarHBondContact O-N 3.05Å; Q270-Q273 PolarHBondContact O-N 3.13Å; M271-Q273 VanDerWaalsContact C-N 3.28Å; M271-Q273 PolarHBondContact O-N 3.22Å; Q273-R276 PolarHBondContact O-N 3.24Å; Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.11Å
274	A	85.6	Confident	79.4	Confident	37 Å²	37	65.6 Å²	65.6	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-44.1	173.2	0	0	0	0	0	111.9	Q270 M271 A277 E278 L304	Q270-A274 WeakPolarHBondContact O-CB 3.48Å; Q270-A274 PolarHBondContact O-N 3.18Å; M271-A274 PolarHBondContact O-N 2.76Å; A274-A277 PolarHBondContact O-N 3.35Å; A274-E278 PolarHBondContact O-N 3.08Å; A274-L304 HydrophobicContact CB-CD2 4.3Å
275	I	87.1	Confident	80.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-48.1	173.3	-68.3	164.2	0	0	0	110.2	M271 A277 E278 L279 L300 L304 L308 Y311 F314 I315	M271-I275 HydrophobicContact CG-CD1 4.02Å; M271-I275 WeakPolarHBondContact O-CB 3.29Å; M271-I275 VanDerWaalsContact O-CG1 3.24Å; M271-I275 WeakPolarHBondContact O-CG1 3.38Å; M271-I275 PolarHBondContact O-N 2.82Å; M271-I275 HydrophobicContact SD-CD1 4.37Å; M271-I275 HydrophobicContact SD-CG1 4.34Å; I275-A277 VanDerWaalsContact C-N 3.29Å; I275-A277 PolarHBondContact O-N 3.3Å; I275-E278 PolarHBondContact O-N 2.95Å; I275-L279 WeakPolarHBondContact O-CA 3.37Å; I275-L279 WeakPolarHBondContact O-CB 3.38Å; I275-L279 PolarHBondContact O-N 3.24Å; I275-L300 HydrophobicContact CG2-CD1 4.38Å; I275-L304 HydrophobicContact CG1-CD1 3.84Å; I275-L308 HydrophobicContact CD1-CD2 4.02Å; I275-L308 HydrophobicContact CG1-CD1 4.48Å; I275-L308 HydrophobicContact CG1-CD2 4.23Å; I275-Y311 HydrophobicContact CD1-CD1 3.9Å; I275-Y311 HydrophobicContact CD1-CD2 3.88Å; I275-Y311 HydrophobicContact CD1-CE2 4.5Å; I275-Y311 HydrophobicContact CD1-CG 3.56Å; I275-F314 HydrophobicContact CB-CE1 4.05Å; I275-F314 HydrophobicContact CD1-CD1 4.35Å; I275-F314 HydrophobicContact CD1-CE1 4.38Å; I275-F314 HydrophobicContact CG2-CD1 4.11Å; I275-F314 HydrophobicContact CG2-CE1 3.72Å; I275-I315 HydrophobicContact CG2-CD1 4.43Å; I275-I315 HydrophobicContact CG2-CG1 3.8Å
276	R	82.6	Confident	81.1	Confident	105 Å²	105	58 Å²	58	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-57	-40.8	176.3	-75.9	164.7	174.7	124.3	-0.9	112.2	E272 Q273 F314 Q318	E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 WeakPolarHBondContact O-CD 3.35Å; E272-R276 VanDerWaalsContact O-CG 3.23Å; E272-R276 WeakPolarHBondContact O-CG 3.43Å; E272-R276 PolarHBondContact O-N 2.81Å; E272-R276 IonicContact OE2-CZ 2.74Å; E272-R276 IonicContact OE2-NH1 2.71Å; E272-R276 PolarHBondContact OE2-NH1 2.85Å; E272-R276 IonicContact OE2-NH2 3.95Å; Q273-R276 PolarHBondContact O-N 3.24Å; R276-F314 HydrophobicContact CG-CZ 4.12Å; R276-F314 VanDerWaalsContact CZ-CZ 3.47Å; R276-F314 VanDerWaalsContact NH2-CE2 3.31Å; R276-Q318 HydrophobicContact CG-CG 4.37Å
277	A	78.3	Confident	81.4	Confident	55 Å²	55	59.8 Å²	59.8	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-71.3	-37.9	-178.4	0	0	0	0	0	114.1	Q273 A274 I275 K281	Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.11Å; A274-A277 PolarHBondContact O-N 3.35Å; I275-A277 VanDerWaalsContact C-N 3.29Å; I275-A277 PolarHBondContact O-N 3.3Å; A277-K281 WeakPolarHBondContact O-CE 3.46Å
278	E	85.4	Confident	81.4	Confident	37 Å²	37	56 Å²	56	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-85.1	-32.8	175.8	-74.7	-54.4	121.9	0	0	113.4	A274 I275 W280 K281 V282 L300 R303 L304	A274-E278 PolarHBondContact O-N 3.08Å; I275-E278 PolarHBondContact O-N 2.95Å; E278-W280 VanDerWaalsContact C-N 3.29Å; E278-W280 PolarHBondContact O-N 3.15Å; E278-K281 WeakPolarHBondContact O-CA 3.31Å; E278-K281 WeakPolarHBondContact O-CB 3.26Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 WeakPolarHBondContact OE1-CD 3.44Å; E278-K281 WeakPolarHBondContact OE1-CE 3.42Å; E278-K281 IonicContact OE1-NZ 3.11Å; E278-K281 PolarHBondContact OE1-NZ 2.66Å; E278-V282 PolarHBondContact O-N 3.23Å; E278-L300 HydrophobicContact CB-CD2 3.57Å; E278-R303 IonicContact OE2-CZ 3.45Å; E278-R303 IonicContact OE2-NH1 3.66Å; E278-R303 PolarHBondContact OE2-NH1 2.99Å; E278-L304 HydrophobicContact CG-CD2 3.88Å; E278-L304 HydrophobicContact CG-CG 4.5Å
279	L	85.4	Confident	81.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-40.6	-176.7	174.3	60.4	0	0	0	111.8	I275 K281 V282 L283 I296 L300 Q318 M319 L322	I275-L279 WeakPolarHBondContact O-CA 3.37Å; I275-L279 WeakPolarHBondContact O-CB 3.38Å; I275-L279 PolarHBondContact O-N 3.24Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 3.1Å; L279-V282 PolarHBondContact O-N 3Å; L279-L283 HydrophobicContact CD1-CD1 3.9Å; L279-L283 HydrophobicContact CD1-CG 4.05Å; L279-L283 HydrophobicContact CG-CD1 3.82Å; L279-L283 HydrophobicContact CG-CG 4.44Å; L279-L283 WeakPolarHBondContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.29Å; L279-I296 HydrophobicContact CD1-CG2 3.47Å; L279-I296 VanDerWaalsContact CD1-CG2 3.47Å; L279-L300 HydrophobicContact CB-CD1 4.13Å; L279-L300 HydrophobicContact CB-CD2 4.19Å; L279-L300 HydrophobicContact CD1-CD1 3.79Å; L279-L300 HydrophobicContact CG-CD1 4.47Å; L279-Q318 HydrophobicContact CD2-CB 3.68Å; L279-M319 HydrophobicContact CD1-CG 3.58Å; L279-M319 HydrophobicContact CD1-SD 4.09Å; L279-M319 HydrophobicContact CD2-CG 3.89Å; L279-M319 HydrophobicContact CG-CG 4.24Å; L279-L322 HydrophobicContact CD2-CD1 3.87Å; L279-L322 HydrophobicContact CG-CD1 3.91Å
280	W	78.3	Confident	81	Confident	26 Å²	26	55.2 Å²	55.2	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-41.8	172.2	-177.2	97	0	0	0	111.6	E278 L283 D284 R451	E278-W280 VanDerWaalsContact C-N 3.29Å; E278-W280 PolarHBondContact O-N 3.15Å; W280-L283 PolarHBondContact O-N 3.08Å; W280-D284 HydrophobicContact CD2-CB 4.5Å; W280-D284 HydrophobicContact CE3-CB 4.09Å; W280-D284 HydrophobicContact CH2-CB 3.7Å; W280-D284 WeakPolarHBondContact CH2-OD2 3.16Å; W280-D284 HydrophobicContact CZ2-CB 4.22Å; W280-D284 HydrophobicContact CZ3-CB 3.61Å; W280-D284 WeakPolarHBondContact CZ3-OD2 3.41Å; W280-D284 VanDerWaalsContact O-CB 3.29Å; W280-D284 WeakPolarHBondContact O-CB 3.44Å; W280-D284 PolarHBondContact O-N 2.99Å; W280-R451 VanDerWaalsContact CZ3-CZ 3.43Å
281	K	79.8	Confident	81.2	Confident	89 Å²	89	50.4 Å²	50.4	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-71.6	-29.8	-177.6	-56.6	174.8	-166.6	170	0	112.3	A277 E278 L279 A285	A277-K281 WeakPolarHBondContact O-CE 3.46Å; E278-K281 WeakPolarHBondContact O-CA 3.31Å; E278-K281 WeakPolarHBondContact O-CB 3.26Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 WeakPolarHBondContact OE1-CD 3.44Å; E278-K281 WeakPolarHBondContact OE1-CE 3.42Å; E278-K281 IonicContact OE1-NZ 3.11Å; E278-K281 PolarHBondContact OE1-NZ 2.66Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 3.1Å; K281-A285 WeakPolarHBondContact O-CB 3.48Å; K281-A285 PolarHBondContact O-N 3.05Å
282	V	85.4	Confident	81.3	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-51.5	170.5	-178.7	0	0	0	0	109.9	E278 L279 D284 A285 S286 I296 A299 L300	E278-V282 PolarHBondContact O-N 3.23Å; L279-V282 PolarHBondContact O-N 3Å; V282-D284 PolarHBondContact O-N 2.85Å; V282-D284 VanDerWaalsContact O-N 3.13Å; V282-A285 PolarHBondContact O-N 3.37Å; V282-S286 WeakPolarHBondContact O-CB 3.27Å; V282-S286 PolarHBondContact O-N 3.42Å; V282-S286 PolarHBondContact O-OG 2.79Å; V282-I296 HydrophobicContact CB-CG2 4.38Å; V282-I296 HydrophobicContact CG1-CB 4.18Å; V282-I296 HydrophobicContact CG1-CD1 4.22Å; V282-I296 HydrophobicContact CG1-CG1 4.01Å; V282-I296 HydrophobicContact CG1-CG2 3.82Å; V282-A299 HydrophobicContact CG1-CB 3.78Å; V282-A299 HydrophobicContact CG2-CB 4.3Å; V282-L300 HydrophobicContact CG2-CD2 4Å; V282-L300 HydrophobicContact CG2-CG 4.15Å
283	L	80.1	Confident	81.3	Confident	2 Å²	2	48 Å²	48	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-21.1	177.5	-72.6	165.3	0	0	0	114.1	I197 L279 W280 L288 I296 M319 L322 R326	I197-L283 HydrophobicContact CD1-CD2 4.48Å; L279-L283 HydrophobicContact CD1-CD1 3.9Å; L279-L283 HydrophobicContact CD1-CG 4.05Å; L279-L283 HydrophobicContact CG-CD1 3.82Å; L279-L283 HydrophobicContact CG-CG 4.44Å; L279-L283 WeakPolarHBondContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.29Å; W280-L283 PolarHBondContact O-N 3.08Å; L283-L288 HydrophobicContact CD2-CD2 3.58Å; L283-I296 HydrophobicContact CD2-CD1 3.39Å; L283-I296 HydrophobicContact CG-CD1 4.02Å; L283-M319 HydrophobicContact CD1-CG 4.34Å; L283-M319 HydrophobicContact CD2-CG 4.43Å; L283-L322 HydrophobicContact CD1-CB 3.84Å; L283-L322 HydrophobicContact CD1-CD1 3.59Å; L283-L322 HydrophobicContact CD1-CG 4.37Å; L283-R326 VanDerWaalsContact C-NH2 3.27Å; L283-R326 VanDerWaalsContact O-CZ 3.29Å; L283-R326 PolarHBondContact O-NH1 2.96Å; L283-R326 PolarHBondContact O-NH2 3.02Å
284	D	76.9	Confident	81.6	Confident	81 Å²	81	46.5 Å²	46.5	43%	0.433	26%	0.26	S	S	.	.	H	α-helix	trans	-86	-27.3	175.7	-159	60.8	0	0	0	112.9	W280 V282 R326	W280-D284 HydrophobicContact CD2-CB 4.5Å; W280-D284 HydrophobicContact CE3-CB 4.09Å; W280-D284 HydrophobicContact CH2-CB 3.7Å; W280-D284 WeakPolarHBondContact CH2-OD2 3.16Å; W280-D284 HydrophobicContact CZ2-CB 4.22Å; W280-D284 HydrophobicContact CZ3-CB 3.61Å; W280-D284 WeakPolarHBondContact CZ3-OD2 3.41Å; W280-D284 VanDerWaalsContact O-CB 3.29Å; W280-D284 WeakPolarHBondContact O-CB 3.44Å; W280-D284 PolarHBondContact O-N 2.99Å; V282-D284 PolarHBondContact O-N 2.85Å; V282-D284 VanDerWaalsContact O-N 3.13Å; D284-R326 IonicContact OD1-NH2 3.26Å
285	A	78	Confident	81.7	Confident	80 Å²	80	49.1 Å²	49.1	66%	0.661	27%	0.266	S	S	*	.	H	α-helix	trans	-92.1	-20.8	177.4	0	0	0	0	0	113.9	K281 V282	K281-A285 WeakPolarHBondContact O-CB 3.48Å; K281-A285 PolarHBondContact O-N 3.05Å; V282-A285 PolarHBondContact O-N 3.37Å
286	S	81.4	Confident	81.8	Confident	38 Å²	38	49.1 Å²	49.1	27%	0.266	27%	0.266	S	S	.	.	S	Bend	trans	-96	145.7	-178.1	-63.5	0	0	0	0	113.3	V282 L288	V282-S286 WeakPolarHBondContact O-CB 3.27Å; V282-S286 PolarHBondContact O-N 3.42Å; V282-S286 PolarHBondContact O-OG 2.79Å; S286-L288 PolarHBondContact O-N 2.78Å
287	D	76.9	Confident	82.1	Confident	97 Å²	97	44.6 Å²	44.6	52%	0.519	25%	0.249	S	C	.	.			trans	-76.4	112.8	169.4	-173.8	-8.2	0	0	0	110.7	E289 S290 V291	D287-E289 VanDerWaalsContact C-N 3.25Å; D287-E289 PolarHBondContact O-N 2.74Å; D287-E289 PolarHBondContact OD1-N 3.05Å; D287-S290 PolarHBondContact O-N 3.45Å; D287-V291 VanDerWaalsContact O-CB 3.32Å; D287-V291 WeakPolarHBondContact O-CB 3.1Å; D287-V291 VanDerWaalsContact O-CG1 3.24Å; D287-V291 WeakPolarHBondContact O-CG1 3.34Å; D287-V291 PolarHBondContact O-N 3.44Å
288	L	77.1	Confident	82.7	Confident	20 Å²	20	46.4 Å²	46.4	11%	0.105	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.2	-179	-60.9	-168	0	0	0	113.9	Q198 L283 S286 S290 V291 V323	Q198-L288 HydrophobicContact CB-CB 4.39Å; Q198-L288 VanDerWaalsContact CB-O 3.23Å; Q198-L288 WeakPolarHBondContact CB-O 3.46Å; Q198-L288 PolarHBondContact N-O 3.11Å; L283-L288 HydrophobicContact CD2-CD2 3.58Å; S286-L288 PolarHBondContact O-N 2.78Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-V291 HydrophobicContact CD2-CG1 4.27Å; L288-V323 HydrophobicContact CD1-CG2 4.1Å
289	E	73.4	Confident	82.8	Confident	87 Å²	87	46.1 Å²	46.1	41%	0.407	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.1	177	-68.8	-168.7	-179	0	0	112.2	Q86 S196 D287	Q86-E289 PolarHBondContact NE2-OE2 2.88Å; S196-E289 WeakPolarHBondContact CB-O 3.4Å; S196-E289 PolarHBondContact OG-O 3.42Å; D287-E289 VanDerWaalsContact C-N 3.25Å; D287-E289 PolarHBondContact O-N 2.74Å; D287-E289 PolarHBondContact OD1-N 3.05Å
290	S	76.7	Confident	83	Confident	76 Å²	76	46.1 Å²	46.1	53%	0.531	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-21	-176	64.9	0	0	0	0	115.8	D287 L288	D287-S290 PolarHBondContact O-N 3.45Å; L288-S290 VanDerWaalsContact C-N 3.3Å
291	V	85.8	Confident	83.7	Confident	13 Å²	13	47 Å²	47	8%	0.079	26%	0.257	C	S	.	.			trans	-84.1	136.1	-173.7	78.3	0	0	0	0	112.8	S196 I197 D287 L288 E295 I296	S196-V291 CarbonylContact C-O 3.55Å; S196-V291 VanDerWaalsContact CA-O 3.25Å; S196-V291 WeakPolarHBondContact CA-O 3.47Å; I197-V291 HydrophobicContact CD1-CG1 4.15Å; I197-V291 PolarHBondContact N-O 2.85Å; D287-V291 VanDerWaalsContact O-CB 3.32Å; D287-V291 WeakPolarHBondContact O-CB 3.1Å; D287-V291 VanDerWaalsContact O-CG1 3.24Å; D287-V291 WeakPolarHBondContact O-CG1 3.34Å; D287-V291 PolarHBondContact O-N 3.44Å; L288-V291 HydrophobicContact CD2-CG1 4.27Å; V291-E295 HydrophobicContact CG2-CB 3.76Å; V291-I296 HydrophobicContact CG1-CD1 3.84Å; V291-I296 HydrophobicContact CG1-CG1 4.03Å; V291-I296 HydrophobicContact CG2-CD1 4.48Å; V291-I296 HydrophobicContact CG2-CG1 3.79Å
292	T	86.9	Confident	84.2	Confident	21 Å²	21	50 Å²	50	13%	0.129	28%	0.277	C	S	.	.			trans	-85.5	161	173.8	64	0	0	0	0	112.2	K294 E295 I296	T292-K294 PolarHBondContact O-N 3.14Å; T292-E295 WeakPolarHBondContact CB-OE2 3.16Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.49Å; T292-E295 PolarHBondContact N-OE2 2.83Å; T292-E295 PolarHBondContact O-N 3.2Å; T292-E295 VanDerWaalsContact OG1-CG 3.3Å; T292-E295 WeakPolarHBondContact OG1-CG 3.26Å; T292-E295 PolarHBondContact OG1-N 3.29Å; T292-E295 VanDerWaalsContact OG1-N 3.14Å; T292-E295 PolarHBondContact OG1-OE2 3.13Å; T292-I296 PolarHBondContact O-N 3.19Å
293	S	86.3	Confident	84.4	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-54.6	-42.6	168.1	163.5	0	0	0	0	111.9	G179 E295 I296 R297 D316 M319	G179-S293 PolarHBondContact N-OG 3.35Å; S293-E295 PolarHBondContact O-N 3.42Å; S293-I296 PolarHBondContact O-N 3.02Å; S293-R297 WeakPolarHBondContact O-CB 3.48Å; S293-R297 PolarHBondContact O-N 2.89Å; S293-D316 VanDerWaalsContact CB-OD1 3.25Å; S293-D316 WeakPolarHBondContact CB-OD1 3.44Å; S293-D316 PolarHBondContact OG-OD1 2.67Å; S293-M319 WeakPolarHBondContact OG-CE 3.37Å
294	K	86.7	Confident	84.8	Confident	106 Å²	106	57.8 Å²	57.8	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-43.9	-177.1	-177.9	175.2	175.4	-177.8	0	111.8	T292 R297 Q298	T292-K294 PolarHBondContact O-N 3.14Å; K294-R297 PolarHBondContact O-N 2.74Å; K294-Q298 WeakPolarHBondContact O-CB 3.31Å; K294-Q298 VanDerWaalsContact O-CG 3.28Å; K294-Q298 WeakPolarHBondContact O-CG 3.3Å; K294-Q298 PolarHBondContact O-N 3.32Å
295	E	87.6	Confident	85.3	Confident	93 Å²	93	57 Å²	57	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-40	175.1	-70.8	161.1	125.9	0	0	112.1	V291 T292 S293 Q298 A299	V291-E295 HydrophobicContact CG2-CB 3.76Å; T292-E295 WeakPolarHBondContact CB-OE2 3.16Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.49Å; T292-E295 PolarHBondContact N-OE2 2.83Å; T292-E295 PolarHBondContact O-N 3.2Å; T292-E295 VanDerWaalsContact OG1-CG 3.3Å; T292-E295 WeakPolarHBondContact OG1-CG 3.26Å; T292-E295 PolarHBondContact OG1-N 3.29Å; T292-E295 VanDerWaalsContact OG1-N 3.14Å; T292-E295 PolarHBondContact OG1-OE2 3.13Å; S293-E295 PolarHBondContact O-N 3.42Å; E295-Q298 PolarHBondContact O-N 3.39Å; E295-A299 WeakPolarHBondContact O-CB 3.34Å; E295-A299 PolarHBondContact O-N 3.44Å
296	I	88.4	Confident	85.7	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-39.8	174.6	-68.3	-155.1	0	0	0	111.6	I197 L279 V282 L283 V291 T292 S293 A299 L300 M319	I197-I296 HydrophobicContact CD1-CB 4.44Å; I197-I296 HydrophobicContact CD1-CD1 3.46Å; I197-I296 VanDerWaalsContact CD1-CD1 3.46Å; I197-I296 HydrophobicContact CD1-CG1 3.92Å; L279-I296 HydrophobicContact CD1-CG2 3.47Å; L279-I296 VanDerWaalsContact CD1-CG2 3.47Å; V282-I296 HydrophobicContact CB-CG2 4.38Å; V282-I296 HydrophobicContact CG1-CB 4.18Å; V282-I296 HydrophobicContact CG1-CD1 4.22Å; V282-I296 HydrophobicContact CG1-CG1 4.01Å; V282-I296 HydrophobicContact CG1-CG2 3.82Å; L283-I296 HydrophobicContact CD2-CD1 3.39Å; L283-I296 HydrophobicContact CG-CD1 4.02Å; V291-I296 HydrophobicContact CG1-CD1 3.84Å; V291-I296 HydrophobicContact CG1-CG1 4.03Å; V291-I296 HydrophobicContact CG2-CD1 4.48Å; V291-I296 HydrophobicContact CG2-CG1 3.79Å; T292-I296 PolarHBondContact O-N 3.19Å; S293-I296 PolarHBondContact O-N 3.02Å; I296-A299 PolarHBondContact O-N 2.96Å; I296-L300 HydrophobicContact CG2-CD1 4.35Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 3.44Å; I296-M319 HydrophobicContact CB-SD 3.91Å; I296-M319 HydrophobicContact CD1-SD 4.21Å; I296-M319 HydrophobicContact CG2-SD 3.55Å; I296-M319 VanDerWaalsContact CG2-SD 3.55Å
297	R	89.4	Confident	85.9	Confident	9 Å²	9	60.4 Å²	60.4	3%	0.034	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-43.6	174.3	-171.8	176	66.1	-114.4	-6.8	111.1	G177 D178 S293 K294 A299 L300 E301 L308 I315	G177-R297 PolarHBondContact O-NH1 3.29Å; D178-R297 IonicContact OD1-CZ 3.2Å; D178-R297 IonicContact OD1-NH1 2.74Å; D178-R297 PolarHBondContact OD1-NH1 2.81Å; D178-R297 IonicContact OD1-NH2 2.73Å; D178-R297 PolarHBondContact OD1-NH2 2.84Å; D178-R297 IonicContact OD2-NH2 3.69Å; S293-R297 WeakPolarHBondContact O-CB 3.48Å; S293-R297 PolarHBondContact O-N 2.89Å; K294-R297 PolarHBondContact O-N 2.74Å; R297-A299 PolarHBondContact O-N 3.17Å; R297-L300 WeakPolarHBondContact O-CB 3.49Å; R297-L300 PolarHBondContact O-N 3.49Å; R297-E301 HydrophobicContact CG-CG 4.47Å; R297-E301 WeakPolarHBondContact O-CB 3.42Å; R297-E301 VanDerWaalsContact O-CG 3.26Å; R297-E301 WeakPolarHBondContact O-CG 3.3Å; R297-E301 PolarHBondContact O-N 3.39Å; R297-L308 HydrophobicContact CG-CB 4.2Å; R297-I315 HydrophobicContact CG-CD1 4.04Å
298	Q	89.8	Confident	86.3	Confident	93 Å²	93	55.9 Å²	55.9	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.4	-74.2	172	-25.9	0	0	112.2	K294 E295 L300 E301 L302	K294-Q298 WeakPolarHBondContact O-CB 3.31Å; K294-Q298 VanDerWaalsContact O-CG 3.28Å; K294-Q298 WeakPolarHBondContact O-CG 3.3Å; K294-Q298 PolarHBondContact O-N 3.32Å; E295-Q298 PolarHBondContact O-N 3.39Å; Q298-L300 VanDerWaalsContact C-N 3.3Å; Q298-L300 PolarHBondContact O-N 2.85Å; Q298-E301 PolarHBondContact O-N 3.24Å; Q298-L302 WeakPolarHBondContact O-CB 3.43Å; Q298-L302 VanDerWaalsContact O-CG 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.33Å; Q298-L302 PolarHBondContact O-N 2.99Å
299	A	88.6	Confident	86.6	Confident	31 Å²	31	59.9 Å²	59.9	26%	0.256	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-29.7	174.9	0	0	0	0	0	112.9	V282 E295 I296 R297 R303	V282-A299 HydrophobicContact CG1-CB 3.78Å; V282-A299 HydrophobicContact CG2-CB 4.3Å; E295-A299 WeakPolarHBondContact O-CB 3.34Å; E295-A299 PolarHBondContact O-N 3.44Å; I296-A299 PolarHBondContact O-N 2.96Å; R297-A299 PolarHBondContact O-N 3.17Å; A299-R303 VanDerWaalsContact O-CD 3.31Å; A299-R303 WeakPolarHBondContact O-CD 3.47Å; A299-R303 VanDerWaalsContact O-CG 3.24Å; A299-R303 WeakPolarHBondContact O-CG 3.45Å; A299-R303 PolarHBondContact O-N 3.23Å
300	L	89.9	Confident	87	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-72.9	-44.2	169.8	-78.5	169.8	0	0	0	112.5	I275 E278 L279 V282 I296 R297 Q298 L302 R303 L304 L308 I315	I275-L300 HydrophobicContact CG2-CD1 4.38Å; E278-L300 HydrophobicContact CB-CD2 3.57Å; L279-L300 HydrophobicContact CB-CD1 4.13Å; L279-L300 HydrophobicContact CB-CD2 4.19Å; L279-L300 HydrophobicContact CD1-CD1 3.79Å; L279-L300 HydrophobicContact CG-CD1 4.47Å; V282-L300 HydrophobicContact CG2-CD2 4Å; V282-L300 HydrophobicContact CG2-CG 4.15Å; I296-L300 HydrophobicContact CG2-CD1 4.35Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 3.44Å; R297-L300 WeakPolarHBondContact O-CB 3.49Å; R297-L300 PolarHBondContact O-N 3.49Å; Q298-L300 VanDerWaalsContact C-N 3.3Å; Q298-L300 PolarHBondContact O-N 2.85Å; L300-L302 VanDerWaalsContact C-N 3.27Å; L300-L302 PolarHBondContact O-N 3.04Å; L300-R303 PolarHBondContact O-N 3.26Å; L300-L304 PolarHBondContact O-N 3.02Å; L300-L308 HydrophobicContact CB-CD1 3.51Å; L300-L308 HydrophobicContact CD1-CD1 4.45Å; L300-I315 HydrophobicContact CD1-CD1 4.3Å; L300-I315 HydrophobicContact CD1-CG1 4.44Å; L300-I315 HydrophobicContact CD1-CG2 4.22Å
301	E	92.3	Very high	87.4	Confident	45 Å²	45	58.7 Å²	58.7	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-41.5	176.9	-73.6	170.7	151.5	0	0	110.8	R297 Q298 R303 G305 L306 L308	R297-E301 HydrophobicContact CG-CG 4.47Å; R297-E301 WeakPolarHBondContact O-CB 3.42Å; R297-E301 VanDerWaalsContact O-CG 3.26Å; R297-E301 WeakPolarHBondContact O-CG 3.3Å; R297-E301 PolarHBondContact O-N 3.39Å; Q298-E301 PolarHBondContact O-N 3.24Å; E301-R303 PolarHBondContact O-N 3.36Å; E301-G305 WeakPolarHBondContact O-CA 3.47Å; E301-G305 PolarHBondContact O-N 2.96Å; E301-L306 WeakPolarHBondContact CA-O 3.17Å; E301-L306 PolarHBondContact O-N 3.46Å; E301-L308 HydrophobicContact CG-CB 3.8Å; E301-L308 HydrophobicContact CG-CD1 3.94Å; E301-L308 HydrophobicContact CG-CG 3.66Å; E301-L308 PolarHBondContact OE1-N 2.93Å
302	L	91.4	Very high	87.3	Confident	153 Å²	153	60.9 Å²	60.9	80%	0.801	32%	0.315	S	S	*	.	H	α-helix	trans	-67	-29.2	173.9	-71.4	170.3	0	0	0	114	Q298 L300	Q298-L302 WeakPolarHBondContact O-CB 3.43Å; Q298-L302 VanDerWaalsContact O-CG 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.33Å; Q298-L302 PolarHBondContact O-N 2.99Å; L300-L302 VanDerWaalsContact C-N 3.27Å; L300-L302 PolarHBondContact O-N 3.04Å
303	R	89.7	Confident	87.1	Confident	123 Å²	123	62.4 Å²	62.4	46%	0.464	32%	0.322	S	S	.	.	H	α-helix	trans	-83.6	-36.6	178.8	-77.4	167.6	175.1	-98.9	-1.7	113.4	E278 A299 L300 E301	E278-R303 IonicContact OE2-CZ 3.45Å; E278-R303 IonicContact OE2-NH1 3.66Å; E278-R303 PolarHBondContact OE2-NH1 2.99Å; A299-R303 VanDerWaalsContact O-CD 3.31Å; A299-R303 WeakPolarHBondContact O-CD 3.47Å; A299-R303 VanDerWaalsContact O-CG 3.24Å; A299-R303 WeakPolarHBondContact O-CG 3.45Å; A299-R303 PolarHBondContact O-N 3.23Å; L300-R303 PolarHBondContact O-N 3.26Å; E301-R303 PolarHBondContact O-N 3.36Å
304	L	88.4	Confident	87	Confident	44 Å²	44	63.2 Å²	63.2	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-92.2	-10.8	-179.2	-63.5	178.2	0	0	0	112.8	M271 A274 I275 E278 L300 L306 L308	M271-L304 HydrophobicContact SD-CD1 4.44Å; A274-L304 HydrophobicContact CB-CD2 4.3Å; I275-L304 HydrophobicContact CG1-CD1 3.84Å; E278-L304 HydrophobicContact CG-CD2 3.88Å; E278-L304 HydrophobicContact CG-CG 4.5Å; L300-L304 PolarHBondContact O-N 3.02Å; L304-L306 PolarHBondContact O-N 2.84Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å
305	G	86.2	Confident	87	Confident	65 Å²	65	58.1 Å²	58.1	67%	0.67	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	16.5	177.5	0	0	0	0	0	114.4	E301	E301-G305 WeakPolarHBondContact O-CA 3.47Å; E301-G305 PolarHBondContact O-N 2.96Å
306	L	86.7	Confident	86.8	Confident	90 Å²	90	53.8 Å²	53.8	47%	0.471	28%	0.283	S	S	.	.	S	Bend	trans	-141.7	145.2	-170	-68.5	172.9	0	0	0	110.9	M271 E301 L304	M271-L306 HydrophobicContact CE-CD1 3.74Å; E301-L306 WeakPolarHBondContact CA-O 3.17Å; E301-L306 PolarHBondContact O-N 3.46Å; L304-L306 PolarHBondContact O-N 2.84Å
307	P	86.3	Confident	86.6	Confident	100 Å²	100	55.2 Å²	55.2	65%	0.649	29%	0.291	S	S	*	.			trans	-71.4	132.6	176.2	29.6	-34.2	0	0	0	111.4
308	L	85.3	Confident	86.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.295	C	S	.	.			trans	-105.9	19.1	-174.6	-61.2	178	0	0	0	112.6	M271 I275 R297 L300 E301 L304 Q310 Y311 R312 I315	M271-L308 HydrophobicContact SD-CD2 4.33Å; I275-L308 HydrophobicContact CD1-CD2 4.02Å; I275-L308 HydrophobicContact CG1-CD1 4.48Å; I275-L308 HydrophobicContact CG1-CD2 4.23Å; R297-L308 HydrophobicContact CG-CB 4.2Å; L300-L308 HydrophobicContact CB-CD1 3.51Å; L300-L308 HydrophobicContact CD1-CD1 4.45Å; E301-L308 HydrophobicContact CG-CB 3.8Å; E301-L308 HydrophobicContact CG-CD1 3.94Å; E301-L308 HydrophobicContact CG-CG 3.66Å; E301-L308 PolarHBondContact OE1-N 2.93Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å; L308-Q310 PolarHBondContact O-N 2.95Å; L308-Q310 VanDerWaalsContact O-N 3.12Å; L308-Y311 HydrophobicContact CD2-CD2 4.06Å; L308-Y311 CarbonylContact O-C 3.58Å; L308-Y311 WeakPolarHBondContact O-CA 3.5Å; L308-Y311 PolarHBondContact O-N 3.13Å; L308-R312 PolarHBondContact O-N 2.74Å; L308-I315 HydrophobicContact CB-CD1 3.86Å; L308-I315 HydrophobicContact CD1-CD1 3.93Å; L308-I315 HydrophobicContact CG-CD1 4.48Å
309	Q	82.1	Confident	86	Confident	105 Å²	105	51.6 Å²	51.6	49%	0.491	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-50	-37.4	-179.5	-173	69.8	1	0	0	113.8	Y311 R312	Q309-Y311 VanDerWaalsContact C-N 3.35Å; Q309-R312 VanDerWaalsContact O-CD 3.31Å; Q309-R312 WeakPolarHBondContact O-CD 3.43Å; Q309-R312 VanDerWaalsContact O-CG 3.24Å; Q309-R312 WeakPolarHBondContact O-CG 3.2Å; Q309-R312 VanDerWaalsContact OE1-CZ 3.26Å
310	Q	82.2	Confident	85.6	Confident	120 Å²	120	50.1 Å²	50.1	56%	0.561	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-81.6	-9.8	177.9	67.2	-177.7	-18	0	0	114.6	L308	L308-Q310 PolarHBondContact O-N 2.95Å; L308-Q310 VanDerWaalsContact O-N 3.12Å
311	Y	84.7	Confident	84.8	Confident	17 Å²	17	51.1 Å²	51.1	7%	0.067	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-105.6	6.2	178.5	-62.9	-75.5	0	0	0	112.8	Q268 M271 E272 I275 L308 Q309 D313 F314 I315	Q268-Y311 HydrophobicContact CG-CE1 3.95Å; M271-Y311 HydrophobicContact CB-CE2 4.37Å; M271-Y311 HydrophobicContact CG-CD2 4.16Å; M271-Y311 HydrophobicContact CG-CE1 4.21Å; M271-Y311 HydrophobicContact CG-CE2 3.42Å; M271-Y311 VanDerWaalsContact CG-CE2 3.42Å; M271-Y311 VanDerWaalsContact CG-CZ 3.47Å; E272-Y311 HydrophobicContact CG-CD1 4.38Å; E272-Y311 HydrophobicContact CG-CE1 4.15Å; I275-Y311 HydrophobicContact CD1-CD1 3.9Å; I275-Y311 HydrophobicContact CD1-CD2 3.88Å; I275-Y311 HydrophobicContact CD1-CE2 4.5Å; I275-Y311 HydrophobicContact CD1-CG 3.56Å; L308-Y311 HydrophobicContact CD2-CD2 4.06Å; L308-Y311 CarbonylContact O-C 3.58Å; L308-Y311 WeakPolarHBondContact O-CA 3.5Å; L308-Y311 PolarHBondContact O-N 3.13Å; Q309-Y311 VanDerWaalsContact C-N 3.35Å; Y311-D313 PolarHBondContact O-N 3.08Å; Y311-F314 CarbonylContact O-C 3.46Å; Y311-F314 WeakPolarHBondContact O-CA 3.38Å; Y311-F314 WeakPolarHBondContact O-CB 3.3Å; Y311-F314 PolarHBondContact O-N 3.05Å; Y311-I315 WeakPolarHBondContact O-CB 3.29Å; Y311-I315 VanDerWaalsContact O-CG1 3.29Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 3.25Å
312	R	85.1	Confident	83.9	Confident	60 Å²	60	50 Å²	50	23%	0.226	26%	0.262	C	S	.	.	H	α-helix	trans	-39.4	-65.4	174.1	-87.4	179.3	175.1	-121.7	-6	114.4	G177 D178 L308 Q309 F314 I315 D316	G177-R312 WeakPolarHBondContact O-CB 3.47Å; G177-R312 VanDerWaalsContact O-CG 3.23Å; G177-R312 WeakPolarHBondContact O-CG 3.34Å; D178-R312 IonicContact OD1-NH1 3.94Å; D178-R312 IonicContact OD2-CZ 3.27Å; D178-R312 VanDerWaalsContact OD2-CZ 3.27Å; D178-R312 IonicContact OD2-NH1 2.68Å; D178-R312 PolarHBondContact OD2-NH1 2.87Å; D178-R312 IonicContact OD2-NH2 3.19Å; D178-R312 PolarHBondContact OD2-NH2 3.07Å; L308-R312 PolarHBondContact O-N 2.74Å; Q309-R312 VanDerWaalsContact O-CD 3.31Å; Q309-R312 WeakPolarHBondContact O-CD 3.43Å; Q309-R312 VanDerWaalsContact O-CG 3.24Å; Q309-R312 WeakPolarHBondContact O-CG 3.2Å; Q309-R312 VanDerWaalsContact OE1-CZ 3.26Å; R312-F314 VanDerWaalsContact C-N 3.28Å; R312-F314 PolarHBondContact O-N 2.89Å; R312-I315 PolarHBondContact O-N 2.9Å; R312-D316 PolarHBondContact O-N 2.78Å
313	D	82.3	Confident	83.1	Confident	52 Å²	52	42.7 Å²	42.7	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-51.5	-46.3	175.8	-78.1	-40.7	0	0	0	112.5	Y311 D316 N317 I532	Y311-D313 PolarHBondContact O-N 3.08Å; D313-D316 PolarHBondContact O-N 3.34Å; D313-N317 WeakPolarHBondContact O-CB 3.49Å; D313-N317 PolarHBondContact O-N 3Å; D313-I532 VanDerWaalsContact C-CD1 3.47Å; D313-I532 HydrophobicContact CB-CD1 3.56Å; D313-I532 WeakPolarHBondContact O-CD1 3.24Å
314	F	83.5	Confident	81.9	Confident	20 Å²	20	37 Å²	37	9%	0.088	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-42.2	-178.7	173.2	-93.3	0	0	0	112.2	E272 I275 R276 Y311 R312 N317 Q318	E272-F314 HydrophobicContact CB-CE1 3.99Å; E272-F314 HydrophobicContact CB-CE2 3.94Å; E272-F314 HydrophobicContact CB-CZ 3.49Å; E272-F314 VanDerWaalsContact CB-CZ 3.49Å; E272-F314 HydrophobicContact CG-CD1 4.28Å; E272-F314 HydrophobicContact CG-CD2 3.97Å; E272-F314 HydrophobicContact CG-CE1 3.92Å; E272-F314 HydrophobicContact CG-CE2 3.57Å; E272-F314 HydrophobicContact CG-CG 4.31Å; E272-F314 HydrophobicContact CG-CZ 3.54Å; E272-F314 WeakPolarHBondContact OE2-CE2 3.34Å; I275-F314 HydrophobicContact CB-CE1 4.05Å; I275-F314 HydrophobicContact CD1-CD1 4.35Å; I275-F314 HydrophobicContact CD1-CE1 4.38Å; I275-F314 HydrophobicContact CG2-CD1 4.11Å; I275-F314 HydrophobicContact CG2-CE1 3.72Å; R276-F314 HydrophobicContact CG-CZ 4.12Å; R276-F314 VanDerWaalsContact CZ-CZ 3.47Å; R276-F314 VanDerWaalsContact NH2-CE2 3.31Å; Y311-F314 CarbonylContact O-C 3.46Å; Y311-F314 WeakPolarHBondContact O-CA 3.38Å; Y311-F314 WeakPolarHBondContact O-CB 3.3Å; Y311-F314 PolarHBondContact O-N 3.05Å; R312-F314 VanDerWaalsContact C-N 3.28Å; R312-F314 PolarHBondContact O-N 2.89Å; F314-N317 PolarHBondContact O-N 3.42Å; F314-Q318 HydrophobicContact CD1-CG 4.22Å; F314-Q318 HydrophobicContact CD2-CG 4.32Å; F314-Q318 HydrophobicContact CE1-CG 3.76Å; F314-Q318 HydrophobicContact CE2-CG 3.87Å; F314-Q318 HydrophobicContact CG-CG 4.48Å; F314-Q318 HydrophobicContact CZ-CG 3.56Å; F314-Q318 WeakPolarHBondContact O-CB 3.41Å; F314-Q318 VanDerWaalsContact O-CG 3.32Å; F314-Q318 WeakPolarHBondContact O-CG 3.24Å; F314-Q318 PolarHBondContact O-N 3.34Å
315	I	87.2	Confident	80.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-46	178.9	-70	164.8	0	0	0	109.9	I275 R297 L300 L308 Y311 R312 N317 Q318 M319	I275-I315 HydrophobicContact CG2-CD1 4.43Å; I275-I315 HydrophobicContact CG2-CG1 3.8Å; R297-I315 HydrophobicContact CG-CD1 4.04Å; L300-I315 HydrophobicContact CD1-CD1 4.3Å; L300-I315 HydrophobicContact CD1-CG1 4.44Å; L300-I315 HydrophobicContact CD1-CG2 4.22Å; L308-I315 HydrophobicContact CB-CD1 3.86Å; L308-I315 HydrophobicContact CD1-CD1 3.93Å; L308-I315 HydrophobicContact CG-CD1 4.48Å; Y311-I315 WeakPolarHBondContact O-CB 3.29Å; Y311-I315 VanDerWaalsContact O-CG1 3.29Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 3.25Å; R312-I315 PolarHBondContact O-N 2.9Å; I315-N317 PolarHBondContact O-N 2.96Å; I315-Q318 PolarHBondContact O-N 2.64Å; I315-M319 HydrophobicContact CG2-CE 3.81Å; I315-M319 HydrophobicContact CG2-CG 4.41Å; I315-M319 HydrophobicContact CG2-SD 4.19Å; I315-M319 WeakPolarHBondContact O-CB 3.42Å; I315-M319 VanDerWaalsContact O-CG 3.29Å; I315-M319 WeakPolarHBondContact O-CG 3.27Å; I315-M319 PolarHBondContact O-N 2.92Å
316	D	84.2	Confident	79.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-45.5	175.7	-83.5	-3.7	0	0	0	112	L175 G177 D178 G179 S293 R312 D313 M319 L320	L175-D316 HydrophobicContact CD1-CB 4.23Å; G177-D316 WeakPolarHBondContact CA-OD2 3.37Å; G177-D316 PolarHBondContact N-OD2 2.92Å; D178-D316 PolarHBondContact N-OD2 2.83Å; G179-D316 PolarHBondContact N-OD2 2.89Å; S293-D316 VanDerWaalsContact CB-OD1 3.25Å; S293-D316 WeakPolarHBondContact CB-OD1 3.44Å; S293-D316 PolarHBondContact OG-OD1 2.67Å; R312-D316 PolarHBondContact O-N 2.78Å; D313-D316 PolarHBondContact O-N 3.34Å; D316-M319 PolarHBondContact O-N 2.81Å; D316-M319 WeakPolarHBondContact OD1-CE 3.08Å; D316-L320 WeakPolarHBondContact O-CG 3.37Å; D316-L320 PolarHBondContact O-N 2.81Å
317	N	82.5	Confident	78.1	Confident	30 Å²	30	32.2 Å²	32.2	16%	0.16	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-44.6	175.2	179.3	67.8	0	0	0	112.7	D313 F314 I315 M319 L320 L321 I532	D313-N317 WeakPolarHBondContact O-CB 3.49Å; D313-N317 PolarHBondContact O-N 3Å; F314-N317 PolarHBondContact O-N 3.42Å; I315-N317 PolarHBondContact O-N 2.96Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.74Å; N317-L320 PolarHBondContact O-N 3.4Å; N317-L321 WeakPolarHBondContact O-CB 3.23Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.37Å; N317-L321 PolarHBondContact O-N 2.74Å; N317-I532 HydrophobicContact CB-CD1 3.93Å
318	Q	83.7	Confident	77.5	Confident	26 Å²	26	32.1 Å²	32.1	12%	0.121	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-32.5	178	-75.2	-65	164	0	0	112.5	R276 L279 F314 I315 L322	R276-Q318 HydrophobicContact CG-CG 4.37Å; L279-Q318 HydrophobicContact CD2-CB 3.68Å; F314-Q318 HydrophobicContact CD1-CG 4.22Å; F314-Q318 HydrophobicContact CD2-CG 4.32Å; F314-Q318 HydrophobicContact CE1-CG 3.76Å; F314-Q318 HydrophobicContact CE2-CG 3.87Å; F314-Q318 HydrophobicContact CG-CG 4.48Å; F314-Q318 HydrophobicContact CZ-CG 3.56Å; F314-Q318 WeakPolarHBondContact O-CB 3.41Å; F314-Q318 VanDerWaalsContact O-CG 3.32Å; F314-Q318 WeakPolarHBondContact O-CG 3.24Å; F314-Q318 PolarHBondContact O-N 3.34Å; I315-Q318 PolarHBondContact O-N 2.64Å; Q318-L322 WeakPolarHBondContact O-CB 3.29Å; Q318-L322 VanDerWaalsContact O-CG 3.27Å; Q318-L322 WeakPolarHBondContact O-CG 3.47Å; Q318-L322 PolarHBondContact O-N 3.39Å
319	M	84.6	Confident	77.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-50.2	172.3	-78.3	-172.4	-56.7	0	0	111.2	I197 L279 L283 S293 I296 I315 D316 N317 L321 L322 V323	I197-M319 HydrophobicContact CD1-CE 4.28Å; I197-M319 HydrophobicContact CD1-SD 3.52Å; I197-M319 VanDerWaalsContact CD1-SD 3.52Å; L279-M319 HydrophobicContact CD1-CG 3.58Å; L279-M319 HydrophobicContact CD1-SD 4.09Å; L279-M319 HydrophobicContact CD2-CG 3.89Å; L279-M319 HydrophobicContact CG-CG 4.24Å; L283-M319 HydrophobicContact CD1-CG 4.34Å; L283-M319 HydrophobicContact CD2-CG 4.43Å; S293-M319 WeakPolarHBondContact OG-CE 3.37Å; I296-M319 HydrophobicContact CB-SD 3.91Å; I296-M319 HydrophobicContact CD1-SD 4.21Å; I296-M319 HydrophobicContact CG2-SD 3.55Å; I296-M319 VanDerWaalsContact CG2-SD 3.55Å; I315-M319 HydrophobicContact CG2-CE 3.81Å; I315-M319 HydrophobicContact CG2-CG 4.41Å; I315-M319 HydrophobicContact CG2-SD 4.19Å; I315-M319 WeakPolarHBondContact O-CB 3.42Å; I315-M319 VanDerWaalsContact O-CG 3.29Å; I315-M319 WeakPolarHBondContact O-CG 3.27Å; I315-M319 PolarHBondContact O-N 2.92Å; D316-M319 PolarHBondContact O-N 2.81Å; D316-M319 WeakPolarHBondContact OD1-CE 3.08Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.74Å; M319-L321 VanDerWaalsContact C-N 3.29Å; M319-L321 PolarHBondContact O-N 3.01Å; M319-L322 PolarHBondContact O-N 3.34Å; M319-L322 VanDerWaalsContact O-N 3.12Å; M319-V323 WeakPolarHBondContact O-CG2 3.32Å; M319-V323 PolarHBondContact O-N 3.48Å
320	L	79	Confident	78	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-38.4	178	-68.3	176.2	0	0	0	112	L175 M200 W201 L204 D316 N317 V323 A324 V537	L175-L320 HydrophobicContact CD1-CD1 3.78Å; L175-L320 HydrophobicContact CD2-CD1 3.73Å; L175-L320 HydrophobicContact CG-CD1 4.42Å; M200-L320 HydrophobicContact CE-CD2 4.05Å; M200-L320 HydrophobicContact CE-CG 4.45Å; M200-L320 HydrophobicContact CG-CD2 4.45Å; W201-L320 HydrophobicContact CB-CD2 4.1Å; W201-L320 HydrophobicContact CE3-CD2 4.11Å; L204-L320 HydrophobicContact CD1-CD1 3.57Å; L204-L320 HydrophobicContact CD1-CD2 4.1Å; D316-L320 WeakPolarHBondContact O-CG 3.37Å; D316-L320 PolarHBondContact O-N 2.81Å; N317-L320 PolarHBondContact O-N 3.4Å; L320-V323 PolarHBondContact O-N 3.19Å; L320-A324 VanDerWaalsContact O-CB 3.24Å; L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 3Å; L320-V537 HydrophobicContact CB-CG1 4.26Å; L320-V537 HydrophobicContact CD1-CG1 4.45Å
321	L	72.3	Confident	78.6	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.105	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173	-73.1	166.1	0	0	0	112.6	N317 M319 A324 Q325 I541 L544	N317-L321 WeakPolarHBondContact O-CB 3.23Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.37Å; N317-L321 PolarHBondContact O-N 2.74Å; M319-L321 VanDerWaalsContact C-N 3.29Å; M319-L321 PolarHBondContact O-N 3.01Å; L321-A324 PolarHBondContact O-N 3.29Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.15Å; L321-I541 HydrophobicContact CD2-CG1 3.78Å; L321-L544 HydrophobicContact CD2-CD1 4.09Å
322	L	75.2	Confident	79.1	Confident	21 Å²	21	27 Å²	27	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-70.8	-34.3	178.4	-74.7	170.2	0	0	0	112.7	L279 L283 Q318 M319 Q325 R326	L279-L322 HydrophobicContact CD2-CD1 3.87Å; L279-L322 HydrophobicContact CG-CD1 3.91Å; L283-L322 HydrophobicContact CD1-CB 3.84Å; L283-L322 HydrophobicContact CD1-CD1 3.59Å; L283-L322 HydrophobicContact CD1-CG 4.37Å; Q318-L322 WeakPolarHBondContact O-CB 3.29Å; Q318-L322 VanDerWaalsContact O-CG 3.27Å; Q318-L322 WeakPolarHBondContact O-CG 3.47Å; Q318-L322 PolarHBondContact O-N 3.39Å; M319-L322 PolarHBondContact O-N 3.34Å; M319-L322 VanDerWaalsContact O-N 3.12Å; L322-Q325 PolarHBondContact O-N 2.55Å; L322-R326 PolarHBondContact O-N 2.96Å; L322-R326 VanDerWaalsContact O-N 3.17Å
323	V	74.1	Confident	79.6	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-69.5	-43.8	171.9	179	0	0	0	0	110.3	I197 W201 L288 M319 L320 Q325 R326 D327	I197-V323 HydrophobicContact CG2-CG2 3.97Å; W201-V323 HydrophobicContact CB-CG1 4.13Å; W201-V323 HydrophobicContact CD2-CG1 4.22Å; W201-V323 HydrophobicContact CG-CB 4.45Å; W201-V323 HydrophobicContact CG-CG1 3.63Å; L288-V323 HydrophobicContact CD1-CG2 4.1Å; M319-V323 WeakPolarHBondContact O-CG2 3.32Å; M319-V323 PolarHBondContact O-N 3.48Å; L320-V323 PolarHBondContact O-N 3.19Å; V323-Q325 PolarHBondContact O-N 2.93Å; V323-R326 WeakPolarHBondContact O-CA 3.28Å; V323-R326 WeakPolarHBondContact O-CB 3.2Å; V323-R326 PolarHBondContact O-N 2.94Å; V323-D327 PolarHBondContact O-N 3.45Å
324	A	64.9	Low	80.2	Confident	3 Å²	3	25 Å²	25	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-33.3	173.9	0	0	0	0	0	113.5	W201 L320 L321 D327 R328 I541	W201-A324 HydrophobicContact CH2-CB 3.51Å; W201-A324 HydrophobicContact CZ2-CB 3.66Å; W201-A324 HydrophobicContact CZ3-CB 4.23Å; L320-A324 VanDerWaalsContact O-CB 3.24Å; L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 3Å; L321-A324 PolarHBondContact O-N 3.29Å; A324-D327 PolarHBondContact O-N 3.39Å; A324-R328 PolarHBondContact O-N 3.17Å; A324-I541 HydrophobicContact CB-CD1 3.88Å; A324-I541 HydrophobicContact CB-CG1 3.77Å; A324-I541 HydrophobicContact CB-CG2 3.94Å
325	Q	57.7	Low	80.8	Confident	50 Å²	50	24.7 Å²	24.7	23%	0.234	12%	0.12	C	C	.	.	H	α-helix	trans	-74.4	-26.6	172.9	-73.7	178.8	6.6	0	0	113.8	L321 L322 V323 D327 L544	L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.15Å; L322-Q325 PolarHBondContact O-N 2.55Å; V323-Q325 PolarHBondContact O-N 2.93Å; Q325-D327 VanDerWaalsContact C-N 3.34Å; Q325-L544 HydrophobicContact CG-CD1 3.99Å
326	R	61.3	Low	81.3	Confident	18 Å²	18	24.7 Å²	24.7	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-71.1	-32.4	168.4	-72.4	175.7	172	-170.3	-1.5	111.6	L283 D284 L322 V323 S340 I449	L283-R326 VanDerWaalsContact C-NH2 3.27Å; L283-R326 VanDerWaalsContact O-CZ 3.29Å; L283-R326 PolarHBondContact O-NH1 2.96Å; L283-R326 PolarHBondContact O-NH2 3.02Å; D284-R326 IonicContact OD1-NH2 3.26Å; L322-R326 PolarHBondContact O-N 2.96Å; L322-R326 VanDerWaalsContact O-N 3.17Å; V323-R326 WeakPolarHBondContact O-CA 3.28Å; V323-R326 WeakPolarHBondContact O-CB 3.2Å; V323-R326 PolarHBondContact O-N 2.94Å; R326-S340 PolarHBondContact O-OG 2.86Å; R326-I449 HydrophobicContact CB-CD1 4.42Å; R326-I449 HydrophobicContact CG-CD1 3.74Å
327	D	62.4	Low	81.9	Confident	31 Å²	31	25.2 Å²	25.2	17%	0.166	12%	0.122	C	C	.	.	H	α-helix	trans	-81.9	-15.5	-175.2	-98.9	33.6	0	0	0	116.1	W201 Q205 V323 A324 Q325 N343	W201-D327 HydrophobicContact CZ2-CB 4.42Å; W201-D327 PolarHBondContact NE1-OD2 3.39Å; Q205-D327 PolarHBondContact NE2-OD2 3.25Å; Q205-D327 VanDerWaalsContact NE2-OD2 3.14Å; V323-D327 PolarHBondContact O-N 3.45Å; A324-D327 PolarHBondContact O-N 3.39Å; Q325-D327 VanDerWaalsContact C-N 3.34Å; D327-N343 PolarHBondContact O-ND2 3.03Å
328	R	72.9	Confident	82.6	Confident	97 Å²	97	23.8 Å²	23.8	37%	0.366	12%	0.115	S	C	.	.	S	Bend	trans	-110.1	145.3	-178	-75.4	178.5	163.4	-156.9	-12.7	113	A324 S330 N343 R447 I541 E545	A324-R328 PolarHBondContact O-N 3.17Å; R328-S330 PolarHBondContact O-N 3.04Å; R328-N343 VanDerWaalsContact C-ND2 3.25Å; R328-N343 WeakPolarHBondContact CA-ND2 3.49Å; R328-R447 PolarHBondContact O-NH1 2.78Å; R328-I541 PolarHBondContact NH1-O 3.26Å; R328-E545 IonicContact CZ-OE1 3.41Å; R328-E545 VanDerWaalsContact CZ-OE1 3.25Å; R328-E545 IonicContact NH1-OE1 3.91Å; R328-E545 PolarHBondContact NH1-OE1 3.17Å; R328-E545 IonicContact NH2-OE1 3.83Å; R328-E545 PolarHBondContact NH2-OE1 2.84Å
329	A	86.3	Confident	83	Confident	15 Å²	15	22.5 Å²	22.5	12%	0.124	11%	0.109	C	C	.	.			trans	-81.4	115.2	176.9	0	0	0	0	0	111.2	R331 Y337 N343 E349 L410	A329-R331 PolarHBondContact O-N 3.15Å; A329-Y337 HydrophobicContact CB-CD1 4.03Å; A329-N343 HydrophobicContact CB-CB 4.04Å; A329-N343 PolarHBondContact N-ND2 2.9Å; A329-E349 WeakPolarHBondContact CB-OE1 3.47Å; A329-E349 PolarHBondContact N-OE1 3.28Å; A329-L410 HydrophobicContact CB-CD1 4.03Å
330	S	91.8	Very high	83	Confident	20 Å²	20	22.7 Å²	22.7	14%	0.14	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.5	177.6	-63.7	0	0	0	0	110.6	R328 I332 Y337 L338 L446 R447	R328-S330 PolarHBondContact O-N 3.04Å; S330-I332 PolarHBondContact O-N 3.45Å; S330-Y337 CarbonylContact O-C 3.58Å; S330-Y337 VanDerWaalsContact O-CA 3.29Å; S330-Y337 WeakPolarHBondContact O-CA 3.12Å; S330-L338 PolarHBondContact N-O 3.48Å; S330-L338 PolarHBondContact O-N 3.47Å; S330-L446 VanDerWaalsContact CB-O 3.26Å; S330-L446 WeakPolarHBondContact CB-O 3.36Å; S330-L446 PolarHBondContact OG-O 3.23Å; S330-R447 WeakPolarHBondContact OG-CB 3.41Å; S330-R447 WeakPolarHBondContact OG-CG 3.19Å; S330-R447 PolarHBondContact OG-NH1 2.91Å
331	R	94.6	Very high	82.9	Confident	97 Å²	97	24.2 Å²	24.2	37%	0.366	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	102.6	170.4	-171.7	-178.4	-172.9	-149.3	2.1	108.7	A329 F333 P334 Y337	A329-R331 PolarHBondContact O-N 3.15Å; R331-F333 WeakPolarHBondContact CG-O 3.3Å; R331-P334 PolarHBondContact NE-O 3.33Å; R331-P334 VanDerWaalsContact NH2-CA 3.31Å; R331-P334 PolarHBondContact NH2-O 3.03Å; R331-Y337 HydrophobicContact CB-CD1 4Å; R331-Y337 HydrophobicContact CB-CE1 3.72Å; R331-Y337 HydrophobicContact CB-CE2 4.42Å; R331-Y337 HydrophobicContact CG-CD2 4.43Å; R331-Y337 HydrophobicContact CG-CE1 4.12Å; R331-Y337 HydrophobicContact CG-CE2 3.95Å
332	I	95.9	Very high	82.9	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-35	-176	-54.3	-55.6	0	0	0	111.7	S330 L336 L338 V424 H442 V443 L446 R447	S330-I332 PolarHBondContact O-N 3.45Å; I332-L336 PolarHBondContact N-O 2.91Å; I332-L338 HydrophobicContact CD1-CB 4.13Å; I332-L338 HydrophobicContact CD1-CD2 4.32Å; I332-L338 HydrophobicContact CG1-CB 3.63Å; I332-L338 HydrophobicContact CG1-CD2 4.33Å; I332-V424 HydrophobicContact CB-CG1 4.29Å; I332-V424 HydrophobicContact CG1-CG1 4.21Å; I332-V424 HydrophobicContact CG2-CG1 3.87Å; I332-H442 PolarHBondContact O-NE2 2.76Å; I332-V443 HydrophobicContact CG2-CG2 3.84Å; I332-L446 HydrophobicContact CD1-CB 3.79Å; I332-R447 HydrophobicContact CD1-CB 4.45Å
333	F	95.6	Very high	83.3	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	166	172.6	-61.7	-71	0	0	0	109	R331 H335 L336 Y427 A428 Y432 H442 P560 F563	R331-F333 WeakPolarHBondContact CG-O 3.3Å; F333-H335 PolarHBondContact O-N 3.45Å; F333-L336 HydrophobicContact CB-CB 4.07Å; F333-L336 HydrophobicContact CD2-CB 4.19Å; F333-L336 HydrophobicContact CD2-CD2 3.96Å; F333-L336 PolarHBondContact N-O 3.2Å; F333-L336 PolarHBondContact O-N 2.95Å; F333-Y427 HydrophobicContact CD2-CD1 4.36Å; F333-Y427 AromaticContact CD2-CE1 3.98Å; F333-Y427 HydrophobicContact CD2-CE1 3.98Å; F333-Y427 HydrophobicContact CE2-CD1 4.19Å; F333-Y427 HydrophobicContact CE2-CE1 4.12Å; F333-A428 HydrophobicContact CE2-CB 3.91Å; F333-A428 HydrophobicContact CZ-CB 3.78Å; F333-Y432 HydrophobicContact CD1-CD2 4.29Å; F333-Y432 HydrophobicContact CD1-CE1 4.38Å; F333-Y432 AromaticContact CD1-CE2 3.47Å; F333-Y432 HydrophobicContact CD1-CE2 3.47Å; F333-Y432 VanDerWaalsContact CD1-CE2 3.47Å; F333-Y432 AromaticContact CD1-CZ 3.53Å; F333-Y432 WeakPolarHBondContact CD1-OH 3.41Å; F333-Y432 AromaticContact CD2-CE2 3.97Å; F333-Y432 HydrophobicContact CD2-CE2 3.97Å; F333-Y432 AromaticContact CE1-CD2 3.61Å; F333-Y432 HydrophobicContact CE1-CD2 3.61Å; F333-Y432 HydrophobicContact CE1-CE1 4.38Å; F333-Y432 AromaticContact CE1-CE2 3.25Å; F333-Y432 HydrophobicContact CE1-CE2 3.25Å; F333-Y432 HydrophobicContact CE1-CG 4.32Å; F333-Y432 AromaticContact CE1-CZ 3.69Å; F333-Y432 HydrophobicContact CE2-CD2 4.25Å; F333-Y432 AromaticContact CE2-CE2 3.79Å; F333-Y432 HydrophobicContact CE2-CE2 3.79Å; F333-Y432 AromaticContact CG-CE2 3.84Å; F333-Y432 HydrophobicContact CG-CE2 3.84Å; F333-Y432 AromaticContact CZ-CD2 3.59Å; F333-Y432 HydrophobicContact CZ-CD2 3.59Å; F333-Y432 AromaticContact CZ-CE2 3.43Å; F333-Y432 HydrophobicContact CZ-CE2 3.43Å; F333-Y432 VanDerWaalsContact CZ-CE2 3.43Å; F333-H442 AromaticContact CE1-NE2 3.66Å; F333-P560 HydrophobicContact CD1-CG 4.28Å; F333-P560 HydrophobicContact CE1-CG 4.35Å; F333-F563 AromaticContact CE1-CE2 3.85Å; F333-F563 HydrophobicContact CE1-CE2 3.85Å; F333-F563 HydrophobicContact CE1-CZ 4.39Å; F333-F563 HydrophobicContact CZ-CE2 4.35Å; F333-F563 HydrophobicContact CZ-CZ 4.45Å
334	P	94.2	Very high	83.6	Confident	64 Å²	64	27.7 Å²	27.7	42%	0.416	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-32.2	-174.9	-32.1	37.9	0	0	0	115.2	R331	R331-P334 PolarHBondContact NE-O 3.33Å; R331-P334 VanDerWaalsContact NH2-CA 3.31Å; R331-P334 PolarHBondContact NH2-O 3.03Å
335	H	95.6	Very high	83.7	Confident	14 Å²	14	29 Å²	29	7%	0.065	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-4	-179.9	64.5	-68.1	0	0	0	115.4	F333 R403 R408 V409 Y427	F333-H335 PolarHBondContact O-N 3.45Å; H335-R403 HydrophobicContact CB-CB 4.43Å; H335-R403 HydrophobicContact CB-CG 4.06Å; H335-R403 VanDerWaalsContact CE1-CD 3.45Å; H335-R403 WeakPolarHBondContact CE1-CD 3.02Å; H335-R408 CarbonylContact O-C 3.47Å; H335-R408 VanDerWaalsContact O-CA 3.29Å; H335-R408 WeakPolarHBondContact O-CA 3.31Å; H335-V409 PolarHBondContact O-N 3Å; H335-Y427 PolarHBondContact CE1-OH 3.46Å; H335-Y427 VanDerWaalsContact CE1-OH 3.28Å; H335-Y427 AromaticContact NE2-CZ 3.56Å; H335-Y427 PolarHBondContact NE2-OH 2.88Å
336	L	97.8	Very high	84.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	-170.7	-167.5	62	0	0	0	112.7	I332 F333 I399 V409 V411 V424 Y427	I332-L336 PolarHBondContact N-O 2.91Å; F333-L336 HydrophobicContact CB-CB 4.07Å; F333-L336 HydrophobicContact CD2-CB 4.19Å; F333-L336 HydrophobicContact CD2-CD2 3.96Å; F333-L336 PolarHBondContact N-O 3.2Å; F333-L336 PolarHBondContact O-N 2.95Å; L336-I399 HydrophobicContact CD1-CD1 4.01Å; L336-I399 HydrophobicContact CD1-CG1 4.04Å; L336-I399 HydrophobicContact CD1-CG2 3.82Å; L336-I399 HydrophobicContact CD2-CD1 4.37Å; L336-I399 HydrophobicContact CD2-CG2 4.39Å; L336-V409 HydrophobicContact CD1-CB 3.86Å; L336-V409 HydrophobicContact CD1-CG1 4.29Å; L336-V411 HydrophobicContact CD1-CG2 3.58Å; L336-V411 HydrophobicContact CG-CG2 4.47Å; L336-V424 HydrophobicContact CD2-CG1 4.08Å; L336-V424 HydrophobicContact CD2-CG2 4.21Å; L336-Y427 HydrophobicContact CD2-CD1 3.46Å; L336-Y427 VanDerWaalsContact CD2-CD1 3.46Å; L336-Y427 HydrophobicContact CD2-CE1 3.73Å; L336-Y427 HydrophobicContact CD2-CG 4.1Å
337	Y	97.6	Very high	84.7	Confident	11 Å²	11	30.5 Å²	30.5	4%	0.043	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.1	176.1	-71.4	-109.4	0	0	0	111	A329 S330 R331 N353 R408 V409 V411	A329-Y337 HydrophobicContact CB-CD1 4.03Å; S330-Y337 CarbonylContact O-C 3.58Å; S330-Y337 VanDerWaalsContact O-CA 3.29Å; S330-Y337 WeakPolarHBondContact O-CA 3.12Å; R331-Y337 HydrophobicContact CB-CD1 4Å; R331-Y337 HydrophobicContact CB-CE1 3.72Å; R331-Y337 HydrophobicContact CB-CE2 4.42Å; R331-Y337 HydrophobicContact CG-CD2 4.43Å; R331-Y337 HydrophobicContact CG-CE1 4.12Å; R331-Y337 HydrophobicContact CG-CE2 3.95Å; Y337-N353 HydrophobicContact CE1-CB 3.88Å; Y337-N353 VanDerWaalsContact CE1-OD1 3.32Å; Y337-N353 WeakPolarHBondContact CE1-OD1 3.36Å; Y337-N353 HydrophobicContact CE2-CB 4.34Å; Y337-N353 PolarHBondContact OH-OD1 3.4Å; Y337-R408 HydrophobicContact CE2-CB 4.48Å; Y337-R408 PolarHBondContact OH-NH1 3.34Å; Y337-V409 PolarHBondContact N-O 3.47Å; Y337-V411 PolarHBondContact O-N 2.8Å
338	L	96.8	Very high	84.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.5	176.8	173.8	58.1	0	0	0	109.5	S330 I332 V411 S420 A421 V424 V443 R447	S330-L338 PolarHBondContact N-O 3.48Å; S330-L338 PolarHBondContact O-N 3.47Å; I332-L338 HydrophobicContact CD1-CB 4.13Å; I332-L338 HydrophobicContact CD1-CD2 4.32Å; I332-L338 HydrophobicContact CG1-CB 3.63Å; I332-L338 HydrophobicContact CG1-CD2 4.33Å; L338-V411 WeakPolarHBondContact CA-O 3.45Å; L338-S420 WeakPolarHBondContact CD1-OG 3.4Å; L338-A421 HydrophobicContact CD1-CB 4.47Å; L338-A421 HydrophobicContact CD2-CB 4.05Å; L338-V424 HydrophobicContact CB-CG2 4.33Å; L338-V424 HydrophobicContact CD1-CG2 4.07Å; L338-V443 HydrophobicContact CD2-CG1 3.85Å; L338-R447 PolarHBondContact O-NH1 2.78Å
339	G	92.2	Very high	85.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-177.6	-174.2	0	0	0	0	0	115.5	N343 V411 H412 G416	G339-N343 VanDerWaalsContact CA-OD1 3.27Å; G339-N343 WeakPolarHBondContact CA-OD1 3.27Å; G339-V411 PolarHBondContact N-O 3.36Å; G339-H412 VanDerWaalsContact O-CA 3.3Å; G339-H412 WeakPolarHBondContact O-CA 3.4Å; G339-H412 WeakPolarHBondContact O-CB 3.44Å; G339-G416 WeakPolarHBondContact O-CA 3.02Å
340	S	85.5	Confident	85	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.021	14%	0.141	C	C	.	.			trans	-94.9	178.9	177.8	62.8	0	0	0	0	112.3	R326 W342 N343 A344 K414	R326-S340 PolarHBondContact O-OG 2.86Å; S340-W342 PolarHBondContact O-N 3.47Å; S340-W342 PolarHBondContact OG-N 3.23Å; S340-N343 PolarHBondContact N-OD1 3.47Å; S340-N343 PolarHBondContact O-N 2.94Å; S340-N343 PolarHBondContact OG-OD1 2.89Å; S340-N343 VanDerWaalsContact OG-OD1 3.11Å; S340-A344 PolarHBondContact O-N 2.65Å; S340-K414 CarbonylContact C-O 3.47Å; S340-K414 VanDerWaalsContact CA-O 3.26Å; S340-K414 WeakPolarHBondContact CA-O 3.27Å; S340-K414 VanDerWaalsContact CB-O 3.27Å; S340-K414 WeakPolarHBondContact CB-O 3.33Å
341	E	76.9	Confident	84.6	Confident	33 Å²	33	32.9 Å²	32.9	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-55.4	-37.5	169.9	66.1	-169.9	128.1	0	0	111.7	N343 A344 A345 I365 F368 C413 K414	E341-N343 PolarHBondContact O-N 3.06Å; E341-A344 CarbonylContact O-C 3.56Å; E341-A344 PolarHBondContact O-N 3Å; E341-A344 VanDerWaalsContact O-N 3.13Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.49Å; E341-I365 HydrophobicContact CB-CD1 4.13Å; E341-I365 HydrophobicContact CB-CG1 4.13Å; E341-I365 HydrophobicContact CB-CG2 3.98Å; E341-I365 WeakPolarHBondContact OE2-CD1 3.26Å; E341-F368 WeakPolarHBondContact O-CE2 3.22Å; E341-C413 PolarHBondContact N-O 3.3Å; E341-C413 VanDerWaalsContact N-O 3.16Å; E341-K414 PolarHBondContact N-O 3.31Å; E341-K414 WeakPolarHBondContact OE1-CE 3.24Å; E341-K414 WeakPolarHBondContact OE1-CG 3.43Å
342	W	71	Confident	84.1	Confident	115 Å²	115	35.9 Å²	35.9	44%	0.436	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-37.8	178.5	-60.1	98.3	0	0	0	112.2	S340 A345 N346	S340-W342 PolarHBondContact O-N 3.47Å; S340-W342 PolarHBondContact OG-N 3.23Å; W342-A345 CarbonylContact O-C 3.58Å; W342-A345 PolarHBondContact O-N 3.44Å; W342-N346 WeakPolarHBondContact O-CB 3.17Å; W342-N346 PolarHBondContact O-N 3.12Å
343	N	85.3	Confident	83.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-35.2	173.6	-58.7	123.4	0	0	0	112.5	D327 R328 A329 G339 S340 E341 A345 N346 E349 L410	D327-N343 PolarHBondContact O-ND2 3.03Å; R328-N343 VanDerWaalsContact C-ND2 3.25Å; R328-N343 WeakPolarHBondContact CA-ND2 3.49Å; A329-N343 HydrophobicContact CB-CB 4.04Å; A329-N343 PolarHBondContact N-ND2 2.9Å; G339-N343 VanDerWaalsContact CA-OD1 3.27Å; G339-N343 WeakPolarHBondContact CA-OD1 3.27Å; S340-N343 PolarHBondContact N-OD1 3.47Å; S340-N343 PolarHBondContact O-N 2.94Å; S340-N343 PolarHBondContact OG-OD1 2.89Å; S340-N343 VanDerWaalsContact OG-OD1 3.11Å; E341-N343 PolarHBondContact O-N 3.06Å; N343-A345 VanDerWaalsContact C-N 3.31Å; N343-N346 PolarHBondContact O-N 3Å; N343-E349 PolarHBondContact ND2-OE1 2.87Å; N343-E349 PolarHBondContact ND2-OE2 2.83Å; N343-L410 HydrophobicContact CB-CD2 4.01Å
344	A	79.9	Confident	83.4	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.5	-24.3	174.8	0	0	0	0	0	112.8	S340 E341 F368 L410 H412	S340-A344 PolarHBondContact O-N 2.65Å; E341-A344 CarbonylContact O-C 3.56Å; E341-A344 PolarHBondContact O-N 3Å; E341-A344 VanDerWaalsContact O-N 3.13Å; A344-F368 VanDerWaalsContact C-CD2 3.43Å; A344-F368 HydrophobicContact CB-CD2 3.92Å; A344-F368 HydrophobicContact CB-CE2 3.99Å; A344-F368 WeakPolarHBondContact O-CD2 3.36Å; A344-L410 HydrophobicContact CB-CD2 4.11Å; A344-H412 HydrophobicContact CB-CB 4.45Å
345	A	67.4	Low	83.5	Confident	30 Å²	30	43.3 Å²	43.3	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-84.4	-11.3	172.4	0	0	0	0	0	113.6	E341 W342 N343 L347 F368 Y369	E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.49Å; W342-A345 CarbonylContact O-C 3.58Å; W342-A345 PolarHBondContact O-N 3.44Å; N343-A345 VanDerWaalsContact C-N 3.31Å; A345-L347 PolarHBondContact O-N 2.87Å; A345-F368 HydrophobicContact CB-CD1 3.91Å; A345-F368 HydrophobicContact CB-CD2 3.99Å; A345-F368 HydrophobicContact CB-CE1 3.83Å; A345-F368 HydrophobicContact CB-CE2 3.91Å; A345-F368 HydrophobicContact CB-CG 3.99Å; A345-F368 HydrophobicContact CB-CZ 3.83Å; A345-Y369 PolarHBondContact O-OH 2.92Å
346	N	70.1	Confident	83.5	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	21%	0.205	S	C	.	.			trans	-93.3	84.7	-176.6	-169.7	-15.7	0	0	0	111.9	W342 N343 E348 E349 L350	W342-N346 WeakPolarHBondContact O-CB 3.17Å; W342-N346 PolarHBondContact O-N 3.12Å; N343-N346 PolarHBondContact O-N 3Å; N346-E348 PolarHBondContact O-N 3.5Å; N346-E348 VanDerWaalsContact O-N 3.14Å; N346-E348 PolarHBondContact OD1-N 3.47Å; N346-E349 HydrophobicContact CB-CB 3.88Å; N346-E349 WeakPolarHBondContact ND2-CB 3.35Å; N346-E349 PolarHBondContact O-N 3.47Å; N346-E349 PolarHBondContact OD1-N 3.4Å; N346-L350 VanDerWaalsContact O-CG 3.32Å; N346-L350 WeakPolarHBondContact O-CG 3.36Å; N346-L350 PolarHBondContact O-N 3.44Å
347	L	68	Low	83.5	Confident	33 Å²	33	45.8 Å²	45.8	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-51.8	-37.3	179	-175.7	59.8	0	0	0	113.4	A345 Q351 Y369 F373	A345-L347 PolarHBondContact O-N 2.87Å; L347-Q351 HydrophobicContact CD1-CG 4.33Å; L347-Q351 WeakPolarHBondContact O-CB 3.46Å; L347-Q351 VanDerWaalsContact O-CG 3.25Å; L347-Q351 WeakPolarHBondContact O-CG 3.42Å; L347-Q351 PolarHBondContact O-N 2.78Å; L347-Y369 HydrophobicContact CB-CD2 4.49Å; L347-Y369 HydrophobicContact CB-CE1 4.36Å; L347-Y369 HydrophobicContact CB-CE2 3.73Å; L347-Y369 HydrophobicContact CD1-CD2 4.2Å; L347-Y369 HydrophobicContact CD1-CE2 4.27Å; L347-Y369 HydrophobicContact CD1-CG 4.35Å; L347-Y369 HydrophobicContact CD2-CE1 4.47Å; L347-F373 HydrophobicContact CD1-CE2 3.72Å; L347-F373 HydrophobicContact CD1-CZ 3.81Å
348	E	67.3	Low	83.6	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-78.6	-36.8	-176	-159.3	-174.7	101.6	0	0	112.3	M1 N346 R352	M1-E348 PolarHBondContact N-OE2 3.09Å; N346-E348 PolarHBondContact O-N 3.5Å; N346-E348 VanDerWaalsContact O-N 3.14Å; N346-E348 PolarHBondContact OD1-N 3.47Å; E348-R352 WeakPolarHBondContact O-CB 3.49Å; E348-R352 PolarHBondContact O-N 2.77Å; E348-R352 PolarHBondContact O-NH1 3.47Å; E348-R352 IonicContact OE1-CZ 3.56Å; E348-R352 IonicContact OE1-NH1 3.05Å; E348-R352 PolarHBondContact OE1-NH1 3.41Å; E348-R352 IonicContact OE1-NH2 3.79Å; E348-R352 PolarHBondContact OE1-NH2 3.47Å
349	E	78.6	Confident	83.6	Confident	22 Å²	22	45.3 Å²	45.3	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-46.2	169.1	-180	-180	-159.8	0	0	111	A329 N343 N346 Q351 R352 N353	A329-E349 WeakPolarHBondContact CB-OE1 3.47Å; A329-E349 PolarHBondContact N-OE1 3.28Å; N343-E349 PolarHBondContact ND2-OE1 2.87Å; N343-E349 PolarHBondContact ND2-OE2 2.83Å; N346-E349 HydrophobicContact CB-CB 3.88Å; N346-E349 WeakPolarHBondContact ND2-CB 3.35Å; N346-E349 PolarHBondContact O-N 3.47Å; N346-E349 PolarHBondContact OD1-N 3.4Å; E349-Q351 PolarHBondContact O-N 3.14Å; E349-R352 PolarHBondContact O-N 3.45Å; E349-N353 VanDerWaalsContact CG-ND2 3.35Å; E349-N353 WeakPolarHBondContact CG-ND2 3.5Å; E349-N353 VanDerWaalsContact O-CB 3.24Å; E349-N353 WeakPolarHBondContact O-CB 3.17Å; E349-N353 PolarHBondContact O-N 2.98Å; E349-N353 PolarHBondContact O-ND2 3.23Å
350	L	83.8	Confident	83.9	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-47.6	176.7	-71.4	166.7	0	0	0	111.8	N346 R354 V355 I358 Y369 F373 L410	N346-L350 VanDerWaalsContact O-CG 3.32Å; N346-L350 WeakPolarHBondContact O-CG 3.36Å; N346-L350 PolarHBondContact O-N 3.44Å; L350-R354 PolarHBondContact O-N 3.31Å; L350-V355 HydrophobicContact CB-CB 4.44Å; L350-V355 HydrophobicContact CD2-CB 3.91Å; L350-V355 HydrophobicContact CD2-CG1 3.81Å; L350-V355 HydrophobicContact CD2-CG2 4.16Å; L350-V355 PolarHBondContact O-N 2.76Å; L350-I358 HydrophobicContact CD1-CD1 3.93Å; L350-I358 HydrophobicContact CD2-CD1 3.99Å; L350-I358 HydrophobicContact CD2-CG1 4.43Å; L350-Y369 HydrophobicContact CD1-CD2 4.13Å; L350-Y369 HydrophobicContact CD1-CE2 4.34Å; L350-F373 HydrophobicContact CB-CE1 3.83Å; L350-F373 HydrophobicContact CB-CZ 3.66Å; L350-F373 HydrophobicContact CD1-CE1 4.3Å; L350-F373 HydrophobicContact CD1-CE2 4.09Å; L350-F373 HydrophobicContact CD1-CZ 3.79Å; L350-F373 HydrophobicContact CG-CE1 4.49Å; L350-F373 HydrophobicContact CG-CZ 4.29Å; L350-L410 HydrophobicContact CD2-CB 4.2Å; L350-L410 HydrophobicContact CD2-CD2 3.74Å
351	Q	82.9	Confident	84.5	Confident	109 Å²	109	45.1 Å²	45.1	51%	0.509	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-45.9	178.1	-75	177.4	-20	0	0	112.5	L347 E349 N353 R354	L347-Q351 HydrophobicContact CD1-CG 4.33Å; L347-Q351 WeakPolarHBondContact O-CB 3.46Å; L347-Q351 VanDerWaalsContact O-CG 3.25Å; L347-Q351 WeakPolarHBondContact O-CG 3.42Å; L347-Q351 PolarHBondContact O-N 2.78Å; E349-Q351 PolarHBondContact O-N 3.14Å; Q351-N353 VanDerWaalsContact C-N 3.31Å; Q351-N353 PolarHBondContact O-N 2.96Å; Q351-R354 WeakPolarHBondContact O-CA 3.47Å; Q351-R354 PolarHBondContact O-N 3.3Å
352	R	83.1	Confident	85.1	Confident	160 Å²	160	43.6 Å²	43.6	60%	0.604	20%	0.198	S	C	*	.	H	α-helix	trans	-58.2	-43	176.3	178.6	-175.8	-75.5	100.3	-5.1	111.5	E348 E349 R354	E348-R352 WeakPolarHBondContact O-CB 3.49Å; E348-R352 PolarHBondContact O-N 2.77Å; E348-R352 PolarHBondContact O-NH1 3.47Å; E348-R352 IonicContact OE1-CZ 3.56Å; E348-R352 IonicContact OE1-NH1 3.05Å; E348-R352 PolarHBondContact OE1-NH1 3.41Å; E348-R352 IonicContact OE1-NH2 3.79Å; E348-R352 PolarHBondContact OE1-NH2 3.47Å; E349-R352 PolarHBondContact O-N 3.45Å; R352-R354 PolarHBondContact O-N 3.4Å
353	N	86.4	Confident	85.8	Confident	34 Å²	34	45 Å²	45	18%	0.182	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.1	176.1	-77.7	-41.3	0	0	0	114	Y337 E349 Q351 V355 R408	Y337-N353 HydrophobicContact CE1-CB 3.88Å; Y337-N353 VanDerWaalsContact CE1-OD1 3.32Å; Y337-N353 WeakPolarHBondContact CE1-OD1 3.36Å; Y337-N353 HydrophobicContact CE2-CB 4.34Å; Y337-N353 PolarHBondContact OH-OD1 3.4Å; E349-N353 VanDerWaalsContact CG-ND2 3.35Å; E349-N353 WeakPolarHBondContact CG-ND2 3.5Å; E349-N353 VanDerWaalsContact O-CB 3.24Å; E349-N353 WeakPolarHBondContact O-CB 3.17Å; E349-N353 PolarHBondContact O-N 2.98Å; E349-N353 PolarHBondContact O-ND2 3.23Å; Q351-N353 VanDerWaalsContact C-N 3.31Å; Q351-N353 PolarHBondContact O-N 2.96Å; N353-V355 VanDerWaalsContact C-N 3.27Å; N353-V355 HydrophobicContact CB-CG2 4Å; N353-V355 PolarHBondContact O-N 2.96Å; N353-R408 WeakPolarHBondContact O-CD 3.41Å; N353-R408 PolarHBondContact O-NH1 3.35Å
354	R	91.6	Very high	85.6	Confident	187 Å²	187	48.1 Å²	48.1	71%	0.706	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	35.7	-174.8	-52	-179	-173.6	169.7	2.7	113.6	L350 Q351 R352	L350-R354 PolarHBondContact O-N 3.31Å; Q351-R354 WeakPolarHBondContact O-CA 3.47Å; Q351-R354 PolarHBondContact O-N 3.3Å; R352-R354 PolarHBondContact O-N 3.4Å
355	V	95.2	Very high	85	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	136	171.8	179.5	0	0	0	0	109.1	L350 N353 H357 I358 F373 R408 L410	L350-V355 HydrophobicContact CB-CB 4.44Å; L350-V355 HydrophobicContact CD2-CB 3.91Å; L350-V355 HydrophobicContact CD2-CG1 3.81Å; L350-V355 HydrophobicContact CD2-CG2 4.16Å; L350-V355 PolarHBondContact O-N 2.76Å; N353-V355 VanDerWaalsContact C-N 3.27Å; N353-V355 HydrophobicContact CB-CG2 4Å; N353-V355 PolarHBondContact O-N 2.96Å; V355-H357 VanDerWaalsContact CG1-O 3.23Å; V355-H357 WeakPolarHBondContact CG1-O 3.27Å; V355-I358 HydrophobicContact CG1-CG1 4.13Å; V355-F373 HydrophobicContact CG1-CD1 4.5Å; V355-F373 VanDerWaalsContact O-CE1 3.28Å; V355-F373 WeakPolarHBondContact O-CE1 3.43Å; V355-R408 WeakPolarHBondContact CA-O 3.31Å; V355-L410 HydrophobicContact CG1-CB 4.05Å
356	T	96.7	Very high	85.3	Confident	54 Å²	54	52.9 Å²	52.9	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-19.6	173.7	61.1	0	0	0	0	112.4	F373 T374 T407 R408	T356-F373 WeakPolarHBondContact O-CA 3.41Å; T356-T374 PolarHBondContact O-N 3Å; T356-T407 HydrophobicContact CG2-CG2 4.34Å; T356-T407 WeakPolarHBondContact OG1-CB 3.47Å; T356-T407 PolarHBondContact OG1-OG1 2.91Å; T356-R408 PolarHBondContact N-O 3.34Å
357	H	98.1	Very high	85.9	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.06	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.6	-178.4	-70.1	79.7	0	0	0	110.1	V355 T374 F398 A402 T407 R408 V409 L410	V355-H357 VanDerWaalsContact CG1-O 3.23Å; V355-H357 WeakPolarHBondContact CG1-O 3.27Å; H357-T374 CarbonylContact C-O 3.55Å; H357-T374 WeakPolarHBondContact CA-O 3.32Å; H357-T374 VanDerWaalsContact CD2-CB 3.49Å; H357-T374 WeakPolarHBondContact CD2-CB 3.27Å; H357-F398 HydrophobicContact CB-CE1 4.04Å; H357-F398 HydrophobicContact CB-CZ 3.81Å; H357-F398 AromaticContact CD2-CE2 3.75Å; H357-F398 AromaticContact CD2-CZ 3.8Å; H357-A402 HydrophobicContact CB-CB 4.11Å; H357-T407 PolarHBondContact ND1-OG1 3.23Å; H357-R408 PolarHBondContact N-O 3.4Å; H357-V409 HydrophobicContact CB-CB 4.42Å; H357-V409 HydrophobicContact CB-CG1 4.24Å; H357-V409 HydrophobicContact CB-CG2 4.04Å; H357-V409 VanDerWaalsContact O-CA 3.28Å; H357-V409 WeakPolarHBondContact O-CA 3.31Å; H357-L410 PolarHBondContact O-N 3.13Å
358	I	98.1	Very high	85.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.4	178.7	-58.2	177.1	0	0	0	109.5	L350 V355 F373 T374 Y375 H376 L410	L350-I358 HydrophobicContact CD1-CD1 3.93Å; L350-I358 HydrophobicContact CD2-CD1 3.99Å; L350-I358 HydrophobicContact CD2-CG1 4.43Å; V355-I358 HydrophobicContact CG1-CG1 4.13Å; I358-F373 HydrophobicContact CD1-CB 3.85Å; I358-F373 HydrophobicContact CD1-CD1 3.93Å; I358-F373 HydrophobicContact CD1-CD2 3.96Å; I358-F373 HydrophobicContact CD1-CE1 4.47Å; I358-F373 HydrophobicContact CD1-CE2 4.5Å; I358-F373 HydrophobicContact CD1-CG 3.65Å; I358-F373 HydrophobicContact CG1-CB 4.06Å; I358-F373 HydrophobicContact CG1-CD1 4.26Å; I358-F373 HydrophobicContact CG1-CG 4.21Å; I358-T374 PolarHBondContact N-O 3.27Å; I358-Y375 HydrophobicContact CB-CD1 3.81Å; I358-Y375 HydrophobicContact CB-CE1 3.64Å; I358-Y375 HydrophobicContact CB-CG 4.41Å; I358-Y375 HydrophobicContact CD1-CE1 4.13Å; I358-Y375 HydrophobicContact CD1-CE2 4.33Å; I358-Y375 HydrophobicContact CG1-CE1 4.46Å; I358-Y375 HydrophobicContact CG2-CD1 3.9Å; I358-Y375 HydrophobicContact CG2-CE1 3.49Å; I358-Y375 VanDerWaalsContact CG2-CE1 3.49Å; I358-Y375 VanDerWaalsContact O-CA 3.3Å; I358-Y375 WeakPolarHBondContact O-CA 3.31Å; I358-H376 PolarHBondContact O-N 3.24Å; I358-L410 WeakPolarHBondContact CA-O 3.47Å
359	L	98.4	Very high	86.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	103.3	175.3	174.6	57	0	0	0	108.9	M361 H376 V378 T395 F398 I399 V409 L410 V411 H412 T423	L359-M361 HydrophobicContact CD1-SD 3.64Å; L359-M361 HydrophobicContact CD2-SD 3.92Å; L359-M361 HydrophobicContact CG-CG 4.21Å; L359-M361 HydrophobicContact CG-SD 3.59Å; L359-M361 VanDerWaalsContact CG-SD 3.59Å; L359-H376 HydrophobicContact CD1-CB 3.93Å; L359-V378 HydrophobicContact CD1-CG2 4.46Å; L359-T395 HydrophobicContact CD1-CG2 3.93Å; L359-T395 HydrophobicContact CD2-CG2 3.85Å; L359-F398 HydrophobicContact CB-CD1 4.1Å; L359-F398 HydrophobicContact CB-CE1 3.93Å; L359-I399 HydrophobicContact CD2-CD1 4.3Å; L359-V409 HydrophobicContact CB-CG1 4.41Å; L359-L410 PolarHBondContact N-O 2.93Å; L359-V411 HydrophobicContact CB-CB 4.48Å; L359-V411 HydrophobicContact CB-CG1 4.32Å; L359-V411 HydrophobicContact CB-CG2 4.22Å; L359-V411 HydrophobicContact CD2-CG1 3.85Å; L359-V411 HydrophobicContact CD2-CG2 4.02Å; L359-V411 HydrophobicContact CG-CG1 4.03Å; L359-H412 PolarHBondContact O-N 2.93Å; L359-T423 HydrophobicContact CD2-CG2 4Å
360	N	97.1	Very high	86.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.3	178.9	-175.9	-8.1	0	0	0	110.2	A362 I365 N367 H376 N377 V378 R379 H412	N360-A362 PolarHBondContact OD1-N 3.38Å; N360-A362 PolarHBondContact OD1-O 2.87Å; N360-I365 PolarHBondContact ND2-O 2.93Å; N360-N367 PolarHBondContact ND2-OD1 2.93Å; N360-H376 PolarHBondContact N-O 3.37Å; N360-N377 WeakPolarHBondContact O-CA 3.31Å; N360-V378 PolarHBondContact O-N 3.38Å; N360-R379 PolarHBondContact ND2-NH2 2.95Å; N360-H412 VanDerWaalsContact CB-NE2 3.34Å; N360-H412 WeakPolarHBondContact CB-NE2 3.23Å; N360-H412 VanDerWaalsContact CG-CE1 3.48Å; N360-H412 PolarHBondContact OD1-CE1 3.41Å
361	M	97.8	Very high	86.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	5.2	-178.4	-56.9	-59	-52.4	0	0	113.5	L359 V378 L388 T395 V411 H412 C413 R419 T423	L359-M361 HydrophobicContact CD1-SD 3.64Å; L359-M361 HydrophobicContact CD2-SD 3.92Å; L359-M361 HydrophobicContact CG-CG 4.21Å; L359-M361 HydrophobicContact CG-SD 3.59Å; L359-M361 VanDerWaalsContact CG-SD 3.59Å; M361-V378 CarbonylContact C-O 3.15Å; M361-V378 WeakPolarHBondContact CA-O 3.48Å; M361-V378 HydrophobicContact CE-CB 3.51Å; M361-V378 HydrophobicContact CE-CG1 3.58Å; M361-V378 HydrophobicContact CE-CG2 4Å; M361-V378 HydrophobicContact SD-CB 3.84Å; M361-V378 HydrophobicContact SD-CG2 4.03Å; M361-L388 HydrophobicContact CE-CD2 3.28Å; M361-T395 HydrophobicContact SD-CG2 4.24Å; M361-V411 HydrophobicContact CG-CG1 3.91Å; M361-H412 VanDerWaalsContact CB-O 3.28Å; M361-H412 WeakPolarHBondContact CB-O 3.48Å; M361-H412 PolarHBondContact N-O 3.19Å; M361-C413 HydrophobicContact CB-CB 4.26Å; M361-R419 HydrophobicContact CB-CB 4.13Å; M361-R419 WeakPolarHBondContact O-CD 3.39Å; M361-T423 HydrophobicContact CE-CG2 4.14Å; M361-T423 VanDerWaalsContact CE-OG1 3.23Å; M361-T423 WeakPolarHBondContact CE-OG1 3.46Å; M361-T423 HydrophobicContact SD-CG2 4Å
362	A	89.4	Confident	86.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.7	-177.2	0	0	0	0	0	111.9	N360 I365 R379 C413	N360-A362 PolarHBondContact OD1-N 3.38Å; N360-A362 PolarHBondContact OD1-O 2.87Å; A362-I365 HydrophobicContact CB-CB 4.02Å; A362-I365 HydrophobicContact CB-CG1 3.74Å; A362-R379 WeakPolarHBondContact O-CD 3.33Å; A362-C413 HydrophobicContact CB-CB 4.19Å
363	R	87.4	Confident	87.5	Confident	145 Å²	145	60.3 Å²	60.3	55%	0.547	28%	0.275	S	S	.	.	S	Bend	trans	-70.8	-40.4	175.4	-175.3	160.4	175	152.9	-2.4	111.7	R379 L380 W381	R363-R379 HydrophobicContact CB-CB 4.37Å; R363-R379 HydrophobicContact CG-CB 4.36Å; R363-R379 PolarHBondContact O-NH1 3.39Å; R363-L380 PolarHBondContact N-O 2.7Å; R363-W381 HydrophobicContact CB-CD2 4.24Å; R363-W381 HydrophobicContact CB-CE3 4.5Å; R363-W381 HydrophobicContact CG-CZ2 4.5Å
364	E	79.6	Confident	88	Confident	66 Å²	66	62.3 Å²	62.3	31%	0.308	29%	0.289	S	S	.	.	S	Bend	trans	-84.4	-12.7	-168.8	67.2	-80.6	-161	0	0	115.3	W381 R419	E364-W381 HydrophobicContact CB-CE3 4.37Å; E364-W381 HydrophobicContact CB-CH2 4.01Å; E364-W381 HydrophobicContact CB-CZ3 3.56Å; E364-W381 HydrophobicContact CG-CZ3 4.05Å; E364-R419 IonicContact OE1-CZ 3.82Å; E364-R419 VanDerWaalsContact OE1-CZ 3.26Å; E364-R419 IonicContact OE1-NH1 3.17Å; E364-R419 PolarHBondContact OE1-NH1 2.77Å; E364-R419 IonicContact OE1-NH2 3.53Å; E364-R419 PolarHBondContact OE1-NH2 3.23Å; E364-R419 IonicContact OE2-CZ 3.6Å; E364-R419 IonicContact OE2-NH1 3.31Å; E364-R419 PolarHBondContact OE2-NH1 3.33Å
365	I	68.4	Low	88.3	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.062	26%	0.262	C	S	.	.			trans	-105.5	118.7	-177.7	-52.6	-51.2	0	0	0	109.1	E341 N360 A362 F368 R379 K414	E341-I365 HydrophobicContact CB-CD1 4.13Å; E341-I365 HydrophobicContact CB-CG1 4.13Å; E341-I365 HydrophobicContact CB-CG2 3.98Å; E341-I365 WeakPolarHBondContact OE2-CD1 3.26Å; N360-I365 PolarHBondContact ND2-O 2.93Å; A362-I365 HydrophobicContact CB-CB 4.02Å; A362-I365 HydrophobicContact CB-CG1 3.74Å; I365-F368 HydrophobicContact CG2-CE2 3.7Å; I365-F368 HydrophobicContact CG2-CZ 3.86Å; I365-R379 VanDerWaalsContact O-CZ 3.27Å; I365-R379 PolarHBondContact O-NH1 3.04Å; I365-R379 PolarHBondContact O-NH2 2.97Å; I365-K414 HydrophobicContact CD1-CG 4.3Å; I365-K414 HydrophobicContact CG1-CB 4.48Å
366	D	72.9	Confident	88.4	Confident	118 Å²	118	57.5 Å²	57.5	63%	0.631	27%	0.272	S	S	*	.			trans	-79.8	163.5	175.2	-82.7	-30.7	0	0	0	113.4	F368 R379	D366-F368 PolarHBondContact O-N 3.4Å; D366-R379 IonicContact OD1-CZ 2.78Å; D366-R379 IonicContact OD1-NH1 3.66Å; D366-R379 PolarHBondContact OD1-NH1 3.35Å; D366-R379 IonicContact OD1-NH2 3.27Å
367	N	82.6	Confident	88.4	Confident	35 Å²	35	57.9 Å²	57.9	19%	0.187	27%	0.272	C	S	.	.			trans	-79.6	112.1	-177	-63.4	-15.1	0	0	0	108.3	N360 Y369 P370 Y375 N377 R379	N360-N367 PolarHBondContact ND2-OD1 2.93Å; N367-Y369 VanDerWaalsContact C-N 3.33Å; N367-Y369 PolarHBondContact O-N 3.47Å; N367-P370 HydrophobicContact CB-CB 4.46Å; N367-P370 WeakPolarHBondContact O-CD 3.29Å; N367-Y375 HydrophobicContact CB-CD1 3.78Å; N367-Y375 HydrophobicContact CB-CD2 4.26Å; N367-Y375 HydrophobicContact CB-CE1 3.56Å; N367-Y375 HydrophobicContact CB-CE2 4.08Å; N367-Y375 HydrophobicContact CB-CG 4.11Å; N367-Y375 WeakPolarHBondContact OD1-CD1 3.39Å; N367-N377 PolarHBondContact ND2-ND2 3.12Å; N367-N377 PolarHBondContact ND2-OD1 2.9Å; N367-N377 PolarHBondContact OD1-OD1 3.36Å; N367-R379 PolarHBondContact OD1-NH2 3.35Å; N367-R379 VanDerWaalsContact OD1-NH2 3.08Å
368	F	68.4	Low	88.4	Confident	85 Å²	85	57.5 Å²	57.5	37%	0.373	27%	0.271	S	S	.	.	S	Bend	trans	-65	-32.1	-175.2	-60.6	-79.4	0	0	0	114	E341 A344 A345 I365 D366 Y375	E341-F368 WeakPolarHBondContact O-CE2 3.22Å; A344-F368 VanDerWaalsContact C-CD2 3.43Å; A344-F368 HydrophobicContact CB-CD2 3.92Å; A344-F368 HydrophobicContact CB-CE2 3.99Å; A344-F368 WeakPolarHBondContact O-CD2 3.36Å; A345-F368 HydrophobicContact CB-CD1 3.91Å; A345-F368 HydrophobicContact CB-CD2 3.99Å; A345-F368 HydrophobicContact CB-CE1 3.83Å; A345-F368 HydrophobicContact CB-CE2 3.91Å; A345-F368 HydrophobicContact CB-CG 3.99Å; A345-F368 HydrophobicContact CB-CZ 3.83Å; I365-F368 HydrophobicContact CG2-CE2 3.7Å; I365-F368 HydrophobicContact CG2-CZ 3.86Å; D366-F368 PolarHBondContact O-N 3.4Å; F368-Y375 PolarHBondContact N-OH 2.98Å
369	Y	79.4	Confident	88.2	Confident	58 Å²	58	60.9 Å²	60.9	23%	0.227	28%	0.284	C	S	.	.			trans	-136.6	52.2	-169.9	-58.3	-56.2	0	0	0	114	A345 L347 L350 N367 E371 R372 F373 Y375	A345-Y369 PolarHBondContact O-OH 2.92Å; L347-Y369 HydrophobicContact CB-CD2 4.49Å; L347-Y369 HydrophobicContact CB-CE1 4.36Å; L347-Y369 HydrophobicContact CB-CE2 3.73Å; L347-Y369 HydrophobicContact CD1-CD2 4.2Å; L347-Y369 HydrophobicContact CD1-CE2 4.27Å; L347-Y369 HydrophobicContact CD1-CG 4.35Å; L347-Y369 HydrophobicContact CD2-CE1 4.47Å; L350-Y369 HydrophobicContact CD1-CD2 4.13Å; L350-Y369 HydrophobicContact CD1-CE2 4.34Å; N367-Y369 VanDerWaalsContact C-N 3.33Å; N367-Y369 PolarHBondContact O-N 3.47Å; Y369-E371 PolarHBondContact O-N 2.89Å; Y369-R372 PolarHBondContact O-N 2.73Å; Y369-F373 HydrophobicContact CD2-CD2 4.49Å; Y369-F373 AromaticContact CD2-CE2 3.93Å; Y369-F373 HydrophobicContact CD2-CE2 3.93Å; Y369-F373 HydrophobicContact CG-CD2 4.42Å; Y369-F373 HydrophobicContact CG-CE2 4.06Å; Y369-F373 PolarHBondContact O-N 3.07Å; Y369-Y375 PolarHBondContact N-OH 3.02Å
370	P	83.6	Confident	87.9	Confident	86 Å²	86	62.6 Å²	62.6	56%	0.558	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.1	-168.2	29.4	-36.1	0	0	0	114.2	N367	N367-P370 HydrophobicContact CB-CB 4.46Å; N367-P370 WeakPolarHBondContact O-CD 3.29Å
371	E	86.8	Confident	87.5	Confident	186 Å²	186	68.4 Å²	68.4	87%	0.869	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.3	176.6	-58.6	176.6	161.2	0	0	113.5	Y369	Y369-E371 PolarHBondContact O-N 2.89Å
372	R	84.3	Confident	87.1	Confident	162 Å²	162	71.1 Å²	71.1	61%	0.611	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-19.5	-169.3	-61.8	179.4	179.3	-103.8	-6.4	114.7	Y369	Y369-R372 PolarHBondContact O-N 2.73Å
373	F	94.4	Very high	87	Confident	17 Å²	17	76 Å²	76	8%	0.075	35%	0.352	C	S	.	.	S	Bend	trans	-134.7	148.1	-179.1	-56.8	-95.7	0	0	0	109.9	L347 L350 V355 T356 I358 Y369 Y375	L347-F373 HydrophobicContact CD1-CE2 3.72Å; L347-F373 HydrophobicContact CD1-CZ 3.81Å; L350-F373 HydrophobicContact CB-CE1 3.83Å; L350-F373 HydrophobicContact CB-CZ 3.66Å; L350-F373 HydrophobicContact CD1-CE1 4.3Å; L350-F373 HydrophobicContact CD1-CE2 4.09Å; L350-F373 HydrophobicContact CD1-CZ 3.79Å; L350-F373 HydrophobicContact CG-CE1 4.49Å; L350-F373 HydrophobicContact CG-CZ 4.29Å; V355-F373 HydrophobicContact CG1-CD1 4.5Å; V355-F373 VanDerWaalsContact O-CE1 3.28Å; V355-F373 WeakPolarHBondContact O-CE1 3.43Å; T356-F373 WeakPolarHBondContact O-CA 3.41Å; I358-F373 HydrophobicContact CD1-CB 3.85Å; I358-F373 HydrophobicContact CD1-CD1 3.93Å; I358-F373 HydrophobicContact CD1-CD2 3.96Å; I358-F373 HydrophobicContact CD1-CE1 4.47Å; I358-F373 HydrophobicContact CD1-CE2 4.5Å; I358-F373 HydrophobicContact CD1-CG 3.65Å; I358-F373 HydrophobicContact CG1-CB 4.06Å; I358-F373 HydrophobicContact CG1-CD1 4.26Å; I358-F373 HydrophobicContact CG1-CG 4.21Å; Y369-F373 HydrophobicContact CD2-CD2 4.49Å; Y369-F373 AromaticContact CD2-CE2 3.93Å; Y369-F373 HydrophobicContact CD2-CE2 3.93Å; Y369-F373 HydrophobicContact CG-CD2 4.42Å; Y369-F373 HydrophobicContact CG-CE2 4.06Å; Y369-F373 PolarHBondContact O-N 3.07Å; F373-Y375 HydrophobicContact CB-CD2 4.35Å; F373-Y375 HydrophobicContact CB-CE2 3.99Å; F373-Y375 VanDerWaalsContact O-CD2 3.3Å; F373-Y375 WeakPolarHBondContact O-CD2 3.24Å; F373-Y375 PolarHBondContact O-N 3.24Å
374	T	97.1	Very high	87.2	Confident	76 Å²	76	73.5 Å²	73.5	47%	0.466	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.9	171.9	-52	0	0	0	0	108.8	T356 H357 I358 F398	T356-T374 PolarHBondContact O-N 3Å; H357-T374 CarbonylContact C-O 3.55Å; H357-T374 WeakPolarHBondContact CA-O 3.32Å; H357-T374 VanDerWaalsContact CD2-CB 3.49Å; H357-T374 WeakPolarHBondContact CD2-CB 3.27Å; I358-T374 PolarHBondContact N-O 3.27Å; T374-F398 HydrophobicContact CG2-CE2 4.04Å; T374-F398 WeakPolarHBondContact O-CZ 3.35Å
375	Y	97.7	Very high	87.7	Confident	36 Å²	36	74.2 Å²	74.2	14%	0.141	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.9	178.9	-80.9	-95.2	0	0	0	113.3	I358 N367 F368 Y369 F373	I358-Y375 HydrophobicContact CB-CD1 3.81Å; I358-Y375 HydrophobicContact CB-CE1 3.64Å; I358-Y375 HydrophobicContact CB-CG 4.41Å; I358-Y375 HydrophobicContact CD1-CE1 4.13Å; I358-Y375 HydrophobicContact CD1-CE2 4.33Å; I358-Y375 HydrophobicContact CG1-CE1 4.46Å; I358-Y375 HydrophobicContact CG2-CD1 3.9Å; I358-Y375 HydrophobicContact CG2-CE1 3.49Å; I358-Y375 VanDerWaalsContact CG2-CE1 3.49Å; I358-Y375 VanDerWaalsContact O-CA 3.3Å; I358-Y375 WeakPolarHBondContact O-CA 3.31Å; N367-Y375 HydrophobicContact CB-CD1 3.78Å; N367-Y375 HydrophobicContact CB-CD2 4.26Å; N367-Y375 HydrophobicContact CB-CE1 3.56Å; N367-Y375 HydrophobicContact CB-CE2 4.08Å; N367-Y375 HydrophobicContact CB-CG 4.11Å; N367-Y375 WeakPolarHBondContact OD1-CD1 3.39Å; F368-Y375 PolarHBondContact N-OH 2.98Å; Y369-Y375 PolarHBondContact N-OH 3.02Å; F373-Y375 HydrophobicContact CB-CD2 4.35Å; F373-Y375 HydrophobicContact CB-CE2 3.99Å; F373-Y375 VanDerWaalsContact O-CD2 3.3Å; F373-Y375 WeakPolarHBondContact O-CD2 3.24Å; F373-Y375 PolarHBondContact O-N 3.24Å
376	H	98.1	Very high	89	Confident	58 Å²	58	74.2 Å²	74.2	27%	0.269	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.1	157.9	-167.9	85.1	0	0	0	109.6	I358 L359 N360 F398	I358-H376 PolarHBondContact O-N 3.24Å; L359-H376 HydrophobicContact CD1-CB 3.93Å; N360-H376 PolarHBondContact N-O 3.37Å; H376-F398 HydrophobicContact CB-CD1 3.85Å; H376-F398 HydrophobicContact CB-CD2 3.67Å; H376-F398 HydrophobicContact CB-CE1 3.84Å; H376-F398 HydrophobicContact CB-CE2 3.65Å; H376-F398 HydrophobicContact CB-CG 3.75Å; H376-F398 HydrophobicContact CB-CZ 3.73Å
377	N	97.6	Very high	90	Very high	63 Å²	63	74.6 Å²	74.6	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	116	-166.8	-68.9	-96.4	0	0	0	111	N360 N367 R379	N360-N377 WeakPolarHBondContact O-CA 3.31Å; N367-N377 PolarHBondContact ND2-ND2 3.12Å; N367-N377 PolarHBondContact ND2-OD1 2.9Å; N367-N377 PolarHBondContact OD1-OD1 3.36Å; N377-R379 HydrophobicContact CB-CG 4.26Å; N377-R379 PolarHBondContact OD1-NE 3.2Å; N377-R379 VanDerWaalsContact OD1-NE 3.09Å; N377-R379 PolarHBondContact OD1-NH2 3.24Å; N377-R379 VanDerWaalsContact OD1-NH2 3.09Å
378	V	96.8	Very high	90.7	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	87.3	172	-179.6	0	0	0	0	107.4	L359 N360 M361 L380 L388 H391 T395	L359-V378 HydrophobicContact CD1-CG2 4.46Å; N360-V378 PolarHBondContact O-N 3.38Å; M361-V378 CarbonylContact C-O 3.15Å; M361-V378 WeakPolarHBondContact CA-O 3.48Å; M361-V378 HydrophobicContact CE-CB 3.51Å; M361-V378 HydrophobicContact CE-CG1 3.58Å; M361-V378 HydrophobicContact CE-CG2 4Å; M361-V378 HydrophobicContact SD-CB 3.84Å; M361-V378 HydrophobicContact SD-CG2 4.03Å; V378-L380 HydrophobicContact CG1-CD1 3.85Å; V378-L380 HydrophobicContact CG1-CG 4.05Å; V378-L380 PolarHBondContact O-N 3.31Å; V378-L388 HydrophobicContact CG1-CD2 4.36Å; V378-H391 HydrophobicContact CG1-CB 4.04Å; V378-H391 HydrophobicContact CG2-CB 4.17Å; V378-T395 HydrophobicContact CG2-CG2 3.85Å
379	R	94.1	Very high	92	Very high	72 Å²	72	71.1 Å²	71.1	27%	0.272	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	75	-165	-65.3	-57.5	-170.9	115.6	-9.1	112.7	N360 A362 R363 I365 D366 N367 N377	N360-R379 PolarHBondContact ND2-NH2 2.95Å; A362-R379 WeakPolarHBondContact O-CD 3.33Å; R363-R379 HydrophobicContact CB-CB 4.37Å; R363-R379 HydrophobicContact CG-CB 4.36Å; R363-R379 PolarHBondContact O-NH1 3.39Å; I365-R379 VanDerWaalsContact O-CZ 3.27Å; I365-R379 PolarHBondContact O-NH1 3.04Å; I365-R379 PolarHBondContact O-NH2 2.97Å; D366-R379 IonicContact OD1-CZ 2.78Å; D366-R379 IonicContact OD1-NH1 3.66Å; D366-R379 PolarHBondContact OD1-NH1 3.35Å; D366-R379 IonicContact OD1-NH2 3.27Å; N367-R379 PolarHBondContact OD1-NH2 3.35Å; N367-R379 VanDerWaalsContact OD1-NH2 3.08Å; N377-R379 HydrophobicContact CB-CG 4.26Å; N377-R379 PolarHBondContact OD1-NE 3.2Å; N377-R379 VanDerWaalsContact OD1-NE 3.09Å; N377-R379 PolarHBondContact OD1-NH2 3.24Å; N377-R379 VanDerWaalsContact OD1-NH2 3.09Å
380	L	91.6	Very high	92.9	Very high	35 Å²	35	71.7 Å²	71.7	18%	0.183	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.4	-179.6	-61.7	175.9	0	0	0	113.3	R363 V378 A386 Q387 L388 R419	R363-L380 PolarHBondContact N-O 2.7Å; V378-L380 HydrophobicContact CG1-CD1 3.85Å; V378-L380 HydrophobicContact CG1-CG 4.05Å; V378-L380 PolarHBondContact O-N 3.31Å; L380-A386 HydrophobicContact CB-CB 4.48Å; L380-Q387 WeakPolarHBondContact CD1-O 3.44Å; L380-L388 HydrophobicContact CD1-CD2 3.69Å; L380-L388 HydrophobicContact CD1-CG 4.07Å; L380-R419 WeakPolarHBondContact O-CD 3.28Å; L380-R419 PolarHBondContact O-NH1 3Å
381	W	90.6	Very high	93.6	Very high	122 Å²	122	71 Å²	71	46%	0.462	34%	0.343	S	S	.	.			trans	-79.6	161.8	166.7	-63.8	123.1	0	0	0	111.2	R363 E364 E383	R363-W381 HydrophobicContact CB-CD2 4.24Å; R363-W381 HydrophobicContact CB-CE3 4.5Å; R363-W381 HydrophobicContact CG-CZ2 4.5Å; E364-W381 HydrophobicContact CB-CE3 4.37Å; E364-W381 HydrophobicContact CB-CH2 4.01Å; E364-W381 HydrophobicContact CB-CZ3 3.56Å; E364-W381 HydrophobicContact CG-CZ3 4.05Å; W381-E383 HydrophobicContact CB-CG 4.14Å; W381-E383 WeakPolarHBondContact CB-OE1 3.35Å; W381-E383 PolarHBondContact O-N 2.93Å; W381-E383 VanDerWaalsContact O-N 3.11Å
382	D	89.4	Confident	94.1	Very high	58 Å²	58	62.2 Å²	62.2	31%	0.31	30%	0.302	S	S	.	.	S	Bend	trans	-84.3	35.6	-176.7	-133.9	-44.2	0	0	0	114	S418 R419 N453 F456	D382-S418 WeakPolarHBondContact OD1-CB 3.47Å; D382-S418 PolarHBondContact OD1-OG 3.01Å; D382-R419 HydrophobicContact CB-CG 4.43Å; D382-R419 IonicContact OD1-NE 3.2Å; D382-R419 IonicContact OD2-CZ 2.72Å; D382-R419 VanDerWaalsContact OD2-CZ 3.3Å; D382-R419 IonicContact OD2-NE 2.69Å; D382-R419 PolarHBondContact OD2-NE 3Å; D382-R419 IonicContact OD2-NH2 2.67Å; D382-R419 PolarHBondContact OD2-NH2 2.96Å; D382-R419 VanDerWaalsContact OD2-NH2 3.11Å; D382-N453 PolarHBondContact O-ND2 3.03Å; D382-F456 WeakPolarHBondContact OD1-CE2 3.41Å
383	E	87.1	Confident	94.6	Very high	101 Å²	101	60.4 Å²	60.4	47%	0.472	30%	0.299	S	S	.	.	S	Bend	trans	-91.8	152.6	-175.3	-64.1	169.8	-138.7	0	0	112.3	W381 S385 A386 N453	W381-E383 HydrophobicContact CB-CG 4.14Å; W381-E383 WeakPolarHBondContact CB-OE1 3.35Å; W381-E383 PolarHBondContact O-N 2.93Å; W381-E383 VanDerWaalsContact O-N 3.11Å; E383-S385 WeakPolarHBondContact CB-OG 3.44Å; E383-S385 PolarHBondContact O-N 3.25Å; E383-S385 PolarHBondContact OE2-OG 3.04Å; E383-A386 WeakPolarHBondContact O-CB 3.19Å; E383-A386 PolarHBondContact O-N 3.04Å; E383-N453 PolarHBondContact O-ND2 3.19Å
384	E	90	Very high	94.7	Very high	94 Å²	94	62.7 Å²	62.7	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.5	171.5	-67.5	-164.9	-152.7	0	0	113.1	A386 N453 P454 R458	E384-A386 VanDerWaalsContact C-N 3.31Å; E384-N453 PolarHBondContact N-ND2 2.8Å; E384-P454 HydrophobicContact CG-CB 4.46Å; E384-P454 WeakPolarHBondContact OE1-CD 3.31Å; E384-P454 VanDerWaalsContact OE1-CG 3.32Å; E384-P454 WeakPolarHBondContact OE1-CG 3.49Å; E384-R458 IonicContact OE2-CZ 2.81Å; E384-R458 IonicContact OE2-NH1 3.42Å; E384-R458 PolarHBondContact OE2-NH1 3.04Å; E384-R458 IonicContact OE2-NH2 2.67Å
385	S	92.1	Very high	94.8	Very high	80 Å²	80	59.1 Å²	59.1	56%	0.559	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.9	176.3	65.3	0	0	0	0	113.2	E383	E383-S385 WeakPolarHBondContact CB-OG 3.44Å; E383-S385 PolarHBondContact O-N 3.25Å; E383-S385 PolarHBondContact OE2-OG 3.04Å
386	A	94.6	Very high	94.8	Very high	12 Å²	12	58.2 Å²	58.2	10%	0.099	29%	0.285	C	S	.	.			trans	-77.4	142.7	-169.7	0	0	0	0	0	111.8	L380 E383 E384 F456 Q459	L380-A386 HydrophobicContact CB-CB 4.48Å; E383-A386 WeakPolarHBondContact O-CB 3.19Å; E383-A386 PolarHBondContact O-N 3.04Å; E384-A386 VanDerWaalsContact C-N 3.31Å; A386-F456 HydrophobicContact CB-CE1 3.95Å; A386-F456 HydrophobicContact CB-CZ 4.12Å; A386-F456 WeakPolarHBondContact O-CE1 3.25Å; A386-Q459 PolarHBondContact O-NE2 3.42Å
387	Q	94.9	Very high	94.7	Very high	126 Å²	126	62.1 Å²	62.1	59%	0.589	30%	0.297	S	S	*	.			trans	-105.8	101.9	-173.8	-62.4	-176.5	8.7	0	0	111	L380 P390 H391	L380-Q387 WeakPolarHBondContact CD1-O 3.44Å; Q387-P390 HydrophobicContact CB-CG 4.21Å; Q387-H391 PolarHBondContact O-CD2 2.85Å
388	L	96.8	Very high	94.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.287	C	S	.	.			trans	-85.7	-32.4	171.5	-80.4	174.6	0	0	0	112.4	M361 V378 L380 P390 H391 W392 A422 F456	M361-L388 HydrophobicContact CE-CD2 3.28Å; V378-L388 HydrophobicContact CG1-CD2 4.36Å; L380-L388 HydrophobicContact CD1-CD2 3.69Å; L380-L388 HydrophobicContact CD1-CG 4.07Å; L388-P390 VanDerWaalsContact C-CD 3.43Å; L388-H391 PolarHBondContact O-N 3Å; L388-W392 HydrophobicContact CB-CH2 4.4Å; L388-W392 HydrophobicContact CB-CZ2 3.57Å; L388-W392 HydrophobicContact CD1-CZ2 4.26Å; L388-W392 PolarHBondContact O-N 3.09Å; L388-A422 HydrophobicContact CD1-CB 3.71Å; L388-F456 HydrophobicContact CB-CD1 4.34Å; L388-F456 HydrophobicContact CD1-CB 4.39Å; L388-F456 HydrophobicContact CD1-CD1 3.54Å; L388-F456 HydrophobicContact CD1-CD2 3.91Å; L388-F456 HydrophobicContact CD1-CE1 3.67Å; L388-F456 HydrophobicContact CD1-CE2 4.05Å; L388-F456 HydrophobicContact CD1-CG 3.68Å; L388-F456 HydrophobicContact CD1-CZ 3.95Å; L388-F456 HydrophobicContact CG-CD1 3.95Å; L388-F456 HydrophobicContact CG-CE1 3.79Å; L388-F456 HydrophobicContact CG-CZ 4.29Å
389	L	96.3	Very high	94.8	Very high	48 Å²	48	60.1 Å²	60.1	25%	0.251	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-51.8	-42.1	-174.8	-172.3	153.3	0	0	0	114.5	H391 W392 Q459 I462 I466	L389-H391 PolarHBondContact O-N 3.19Å; L389-W392 HydrophobicContact CB-CE3 4.06Å; L389-W392 HydrophobicContact CB-CZ3 3.91Å; L389-W392 HydrophobicContact CD1-CZ3 4.34Å; L389-W392 HydrophobicContact CG-CE3 4.15Å; L389-W392 HydrophobicContact CG-CZ3 4.11Å; L389-W392 PolarHBondContact O-N 3Å; L389-Q459 HydrophobicContact CB-CB 4.26Å; L389-Q459 HydrophobicContact CB-CG 4.3Å; L389-Q459 HydrophobicContact CD1-CB 4.47Å; L389-I462 HydrophobicContact CD1-CB 4.02Å; L389-I462 HydrophobicContact CD1-CG2 3.72Å; L389-I466 HydrophobicContact CD1-CD1 4.44Å; L389-I466 HydrophobicContact CD2-CD1 4.5Å
390	P	97.3	Very high	94.9	Very high	69 Å²	69	58.5 Å²	58.5	45%	0.448	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-62.3	-22.8	177.5	-23.9	35.7	0	0	0	114.3	Q387 L388	Q387-P390 HydrophobicContact CB-CG 4.21Å; L388-P390 VanDerWaalsContact C-CD 3.43Å
391	H	97.6	Very high	95.1	Very high	72 Å²	72	59 Å²	59	33%	0.333	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-96	-15.7	-174	-60.4	-63.9	0	0	0	113.9	V378 Q387 L388 L389 K393 E394 T395	V378-H391 HydrophobicContact CG1-CB 4.04Å; V378-H391 HydrophobicContact CG2-CB 4.17Å; Q387-H391 PolarHBondContact O-CD2 2.85Å; L388-H391 PolarHBondContact O-N 3Å; L389-H391 PolarHBondContact O-N 3.19Å; H391-K393 PolarHBondContact O-N 3.37Å; H391-K393 VanDerWaalsContact O-N 3.1Å; H391-E394 PolarHBondContact O-N 3.19Å; H391-T395 PolarHBondContact O-N 2.84Å
392	W	97.4	Very high	95.3	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-16.9	-175	-70.2	-28.5	0	0	0	114.7	L388 L389 T395 H396 A422 T423 A426 Q459 L460 Y463	L388-W392 HydrophobicContact CB-CH2 4.4Å; L388-W392 HydrophobicContact CB-CZ2 3.57Å; L388-W392 HydrophobicContact CD1-CZ2 4.26Å; L388-W392 PolarHBondContact O-N 3.09Å; L389-W392 HydrophobicContact CB-CE3 4.06Å; L389-W392 HydrophobicContact CB-CZ3 3.91Å; L389-W392 HydrophobicContact CD1-CZ3 4.34Å; L389-W392 HydrophobicContact CG-CE3 4.15Å; L389-W392 HydrophobicContact CG-CZ3 4.11Å; L389-W392 PolarHBondContact O-N 3Å; W392-T395 WeakPolarHBondContact CA-OG1 3.29Å; W392-H396 WeakPolarHBondContact O-CB 3.44Å; W392-H396 PolarHBondContact O-N 2.9Å; W392-A422 HydrophobicContact CZ2-CB 4.49Å; W392-T423 PolarHBondContact NE1-OG1 3.34Å; W392-A426 HydrophobicContact CB-CB 4.16Å; W392-A426 HydrophobicContact CD2-CB 3.34Å; W392-A426 HydrophobicContact CE3-CB 3.79Å; W392-A426 HydrophobicContact CG-CB 3.51Å; W392-A426 HydrophobicContact CZ2-CB 4.21Å; W392-A426 HydrophobicContact CZ3-CB 4.41Å; W392-Q459 HydrophobicContact CH2-CB 3.66Å; W392-Q459 HydrophobicContact CZ3-CB 4.08Å; W392-L460 HydrophobicContact CH2-CB 4.43Å; W392-L460 HydrophobicContact CH2-CD2 3.6Å; W392-L460 HydrophobicContact CH2-CG 3.68Å; W392-L460 HydrophobicContact CZ2-CD2 3.88Å; W392-L460 HydrophobicContact CZ2-CG 4.15Å; W392-L460 HydrophobicContact CZ3-CD2 4.03Å; W392-L460 HydrophobicContact CZ3-CG 4.39Å; W392-Y463 HydrophobicContact CB-CE2 4.21Å; W392-Y463 HydrophobicContact CE3-CD1 4.04Å; W392-Y463 AromaticContact CE3-CD2 3.83Å; W392-Y463 HydrophobicContact CE3-CD2 3.83Å; W392-Y463 HydrophobicContact CE3-CE1 4.47Å; W392-Y463 HydrophobicContact CE3-CE2 4.27Å; W392-Y463 AromaticContact CE3-CG 3.69Å; W392-Y463 HydrophobicContact CE3-CG 3.69Å; W392-Y463 HydrophobicContact CZ3-CD1 4.46Å; W392-Y463 HydrophobicContact CZ3-CD2 4.46Å; W392-Y463 HydrophobicContact CZ3-CG 4.01Å
393	K	95.8	Very high	95.5	Very high	124 Å²	124	55 Å²	55	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-72.8	-40.9	171.7	-174.7	-179	-171.1	172.7	0	111.4	H391 R397	H391-K393 PolarHBondContact O-N 3.37Å; H391-K393 VanDerWaalsContact O-N 3.1Å; K393-R397 VanDerWaalsContact O-CD 3.3Å; K393-R397 WeakPolarHBondContact O-CD 3.38Å; K393-R397 VanDerWaalsContact O-CG 3.24Å; K393-R397 WeakPolarHBondContact O-CG 3.38Å; K393-R397 PolarHBondContact O-N 3.33Å
394	E	96.8	Very high	95.8	Very high	65 Å²	65	54.5 Å²	54.5	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-79	-40.9	-179.1	-75.8	52.7	-116.3	0	0	111.6	H391 R397 F398	H391-E394 PolarHBondContact O-N 3.19Å; E394-R397 PolarHBondContact O-N 3.47Å; E394-R397 IonicContact OE1-CZ 3.72Å; E394-R397 IonicContact OE1-NH1 3.36Å; E394-R397 PolarHBondContact OE1-NH1 3.45Å; E394-F398 PolarHBondContact O-N 2.93Å
395	T	97.8	Very high	95.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-38.7	175.8	63.7	0	0	0	0	112.2	L359 M361 V378 H391 W392 F398 I399 T423	L359-T395 HydrophobicContact CD1-CG2 3.93Å; L359-T395 HydrophobicContact CD2-CG2 3.85Å; M361-T395 HydrophobicContact SD-CG2 4.24Å; V378-T395 HydrophobicContact CG2-CG2 3.85Å; H391-T395 PolarHBondContact O-N 2.84Å; W392-T395 WeakPolarHBondContact CA-OG1 3.29Å; T395-F398 PolarHBondContact O-N 2.82Å; T395-I399 WeakPolarHBondContact O-CG1 3.38Å; T395-I399 PolarHBondContact O-N 2.92Å; T395-T423 HydrophobicContact CG2-CG2 3.99Å; T395-T423 WeakPolarHBondContact OG1-CG2 3.38Å
396	H	97.8	Very high	95.8	Very high	16 Å²	16	55 Å²	55	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-48.4	173.1	174.8	-91.5	0	0	0	111.3	W392 F398 I399 E400 Y427 K430 Q431	W392-H396 WeakPolarHBondContact O-CB 3.44Å; W392-H396 PolarHBondContact O-N 2.9Å; H396-F398 VanDerWaalsContact C-N 3.29Å; H396-F398 PolarHBondContact O-N 2.99Å; H396-I399 PolarHBondContact O-N 3.19Å; H396-E400 WeakPolarHBondContact CE1-CG 3.47Å; H396-E400 WeakPolarHBondContact O-CG 3.48Å; H396-E400 PolarHBondContact O-N 2.86Å; H396-Y427 AromaticContact CD2-CD2 3.55Å; H396-Y427 AromaticContact CD2-CE2 3.87Å; H396-K430 HydrophobicContact CB-CD 4.41Å; H396-K430 PolarHBondContact CE1-NZ 2.97Å; H396-K430 PolarHBondContact ND1-NZ 3.1Å; H396-Q431 PolarHBondContact CE1-OE1 3.32Å; H396-Q431 PolarHBondContact NE2-OE1 3.47Å
397	R	97.6	Very high	95.8	Very high	140 Å²	140	55.8 Å²	55.8	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-40.7	174.8	-75.8	163	162.5	175.4	-17.9	112.9	K393 E394 A401	K393-R397 VanDerWaalsContact O-CD 3.3Å; K393-R397 WeakPolarHBondContact O-CD 3.38Å; K393-R397 VanDerWaalsContact O-CG 3.24Å; K393-R397 WeakPolarHBondContact O-CG 3.38Å; K393-R397 PolarHBondContact O-N 3.33Å; E394-R397 PolarHBondContact O-N 3.47Å; E394-R397 IonicContact OE1-CZ 3.72Å; E394-R397 IonicContact OE1-NH1 3.36Å; E394-R397 PolarHBondContact OE1-NH1 3.45Å; R397-A401 VanDerWaalsContact O-CB 3.32Å; R397-A401 WeakPolarHBondContact O-CB 3.24Å; R397-A401 PolarHBondContact O-N 2.82Å
398	F	98	Very high	95.9	Very high	26 Å²	26	52.3 Å²	52.3	11%	0.114	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-41.8	178.1	-179.1	-105.3	0	0	0	112.1	H357 L359 T374 H376 E394 T395 H396 A402 V409	H357-F398 HydrophobicContact CB-CE1 4.04Å; H357-F398 HydrophobicContact CB-CZ 3.81Å; H357-F398 AromaticContact CD2-CE2 3.75Å; H357-F398 AromaticContact CD2-CZ 3.8Å; L359-F398 HydrophobicContact CB-CD1 4.1Å; L359-F398 HydrophobicContact CB-CE1 3.93Å; T374-F398 HydrophobicContact CG2-CE2 4.04Å; T374-F398 WeakPolarHBondContact O-CZ 3.35Å; H376-F398 HydrophobicContact CB-CD1 3.85Å; H376-F398 HydrophobicContact CB-CD2 3.67Å; H376-F398 HydrophobicContact CB-CE1 3.84Å; H376-F398 HydrophobicContact CB-CE2 3.65Å; H376-F398 HydrophobicContact CB-CG 3.75Å; H376-F398 HydrophobicContact CB-CZ 3.73Å; E394-F398 PolarHBondContact O-N 2.93Å; T395-F398 PolarHBondContact O-N 2.82Å; H396-F398 VanDerWaalsContact C-N 3.29Å; H396-F398 PolarHBondContact O-N 2.99Å; F398-A402 PolarHBondContact O-N 3.36Å; F398-V409 HydrophobicContact CD1-CG1 4.44Å; F398-V409 HydrophobicContact CE1-CG1 4.08Å
399	I	97.9	Very high	95.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-43.3	176.9	-63.1	161.4	0	0	0	111.2	L336 L359 T395 H396 A401 A402 R403 V409 V411 Y427	L336-I399 HydrophobicContact CD1-CD1 4.01Å; L336-I399 HydrophobicContact CD1-CG1 4.04Å; L336-I399 HydrophobicContact CD1-CG2 3.82Å; L336-I399 HydrophobicContact CD2-CD1 4.37Å; L336-I399 HydrophobicContact CD2-CG2 4.39Å; L359-I399 HydrophobicContact CD2-CD1 4.3Å; T395-I399 WeakPolarHBondContact O-CG1 3.38Å; T395-I399 PolarHBondContact O-N 2.92Å; H396-I399 PolarHBondContact O-N 3.19Å; I399-A401 PolarHBondContact O-N 2.97Å; I399-A402 PolarHBondContact O-N 3.4Å; I399-R403 PolarHBondContact O-N 3.02Å; I399-V409 HydrophobicContact CG1-CG1 4.32Å; I399-V409 HydrophobicContact CG2-CG2 4.37Å; I399-V411 HydrophobicContact CD1-CG2 4.23Å; I399-Y427 HydrophobicContact CB-CD2 3.83Å; I399-Y427 HydrophobicContact CB-CE2 3.76Å; I399-Y427 HydrophobicContact CD1-CD2 3.7Å; I399-Y427 HydrophobicContact CD1-CE2 4.43Å; I399-Y427 HydrophobicContact CD1-CG 3.92Å; I399-Y427 HydrophobicContact CG1-CD2 4.38Å; I399-Y427 HydrophobicContact CG2-CD2 3.72Å; I399-Y427 HydrophobicContact CG2-CE1 4.37Å; I399-Y427 HydrophobicContact CG2-CE2 3.28Å; I399-Y427 HydrophobicContact CG2-CG 4.44Å
400	E	96.7	Very high	96	Very high	38 Å²	38	50.1 Å²	50.1	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-40.1	176.9	-71.6	-55.7	86.6	0	0	112.8	H396 A402 R403 A404 Y427 Q431	H396-E400 WeakPolarHBondContact CE1-CG 3.47Å; H396-E400 WeakPolarHBondContact O-CG 3.48Å; H396-E400 PolarHBondContact O-N 2.86Å; E400-A402 VanDerWaalsContact C-N 3.28Å; E400-A402 PolarHBondContact O-N 2.8Å; E400-R403 PolarHBondContact O-N 3.4Å; E400-R403 IonicContact OE1-CZ 3.64Å; E400-R403 IonicContact OE1-NH1 3.84Å; E400-R403 PolarHBondContact OE1-NH1 3.48Å; E400-R403 IonicContact OE2-CZ 3.88Å; E400-R403 VanDerWaalsContact OE2-CZ 3.27Å; E400-R403 IonicContact OE2-NH1 2.79Å; E400-R403 PolarHBondContact OE2-NH1 2.94Å; E400-R403 IonicContact OE2-NH2 3.74Å; E400-R403 PolarHBondContact OE2-NH2 2.86Å; E400-A404 VanDerWaalsContact O-CB 3.32Å; E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.86Å; E400-Y427 WeakPolarHBondContact OE1-CE2 3.25Å; E400-Y427 PolarHBondContact OE1-OH 2.87Å; E400-Y427 VanDerWaalsContact OE1-OH 3.09Å; E400-Q431 VanDerWaalsContact CD-OE1 3.27Å; E400-Q431 PolarHBondContact OE2-OE1 2.82Å; E400-Q431 VanDerWaalsContact OE2-OE1 3.1Å
401	A	95.1	Very high	96.1	Very high	46 Å²	46	46.9 Å²	46.9	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-38.7	177	0	0	0	0	0	111.9	R397 I399 Q405	R397-A401 VanDerWaalsContact O-CB 3.32Å; R397-A401 WeakPolarHBondContact O-CB 3.24Å; R397-A401 PolarHBondContact O-N 2.82Å; I399-A401 PolarHBondContact O-N 2.97Å; A401-Q405 VanDerWaalsContact O-CG 3.28Å; A401-Q405 WeakPolarHBondContact O-CG 3.35Å; A401-Q405 PolarHBondContact O-N 2.9Å; A401-Q405 PolarHBondContact O-NE2 2.89Å
402	A	93.6	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-41.7	175.5	0	0	0	0	0	112.3	H357 F398 I399 E400 Q405 T407 V409	H357-A402 HydrophobicContact CB-CB 4.11Å; F398-A402 PolarHBondContact O-N 3.36Å; I399-A402 PolarHBondContact O-N 3.4Å; E400-A402 VanDerWaalsContact C-N 3.28Å; E400-A402 PolarHBondContact O-N 2.8Å; A402-Q405 PolarHBondContact O-N 2.87Å; A402-T407 WeakPolarHBondContact CA-OG1 3.35Å; A402-T407 PolarHBondContact O-N 2.8Å; A402-T407 PolarHBondContact O-OG1 3Å; A402-V409 HydrophobicContact CB-CG2 3.32Å
403	R	94.4	Very high	95.8	Very high	94 Å²	94	43.4 Å²	43.4	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-45.2	176	-165.3	-177.9	92	-136.6	-0.3	111.7	H335 I399 E400 Q405 G406 Q431	H335-R403 HydrophobicContact CB-CB 4.43Å; H335-R403 HydrophobicContact CB-CG 4.06Å; H335-R403 VanDerWaalsContact CE1-CD 3.45Å; H335-R403 WeakPolarHBondContact CE1-CD 3.02Å; I399-R403 PolarHBondContact O-N 3.02Å; E400-R403 PolarHBondContact O-N 3.4Å; E400-R403 IonicContact OE1-CZ 3.64Å; E400-R403 IonicContact OE1-NH1 3.84Å; E400-R403 PolarHBondContact OE1-NH1 3.48Å; E400-R403 IonicContact OE2-CZ 3.88Å; E400-R403 VanDerWaalsContact OE2-CZ 3.27Å; E400-R403 IonicContact OE2-NH1 2.79Å; E400-R403 PolarHBondContact OE2-NH1 2.94Å; E400-R403 IonicContact OE2-NH2 3.74Å; E400-R403 PolarHBondContact OE2-NH2 2.86Å; R403-Q405 PolarHBondContact O-N 3.1Å; R403-G406 PolarHBondContact O-N 2.93Å; R403-Q431 VanDerWaalsContact NH1-CD 3.33Å
404	A	93.9	Very high	95	Very high	91 Å²	91	41.9 Å²	41.9	75%	0.752	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	178.5	0	0	0	0	0	113.7	E400	E400-A404 VanDerWaalsContact O-CB 3.32Å; E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.86Å
405	Q	92.3	Very high	94.1	Very high	120 Å²	120	42.2 Å²	42.2	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.7	172.6	-67.4	166.2	46.3	0	0	113.2	A401 A402 R403 T407	A401-Q405 VanDerWaalsContact O-CG 3.28Å; A401-Q405 WeakPolarHBondContact O-CG 3.35Å; A401-Q405 PolarHBondContact O-N 2.9Å; A401-Q405 PolarHBondContact O-NE2 2.89Å; A402-Q405 PolarHBondContact O-N 2.87Å; R403-Q405 PolarHBondContact O-N 3.1Å; Q405-T407 HydrophobicContact CB-CG2 3.88Å; Q405-T407 PolarHBondContact O-N 3.04Å
406	G	90.2	Very high	93.7	Very high	64 Å²	64	42.1 Å²	42.1	66%	0.66	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	22.1	-170.4	0	0	0	0	0	113.2	R403	R403-G406 PolarHBondContact O-N 2.93Å
407	T	93.4	Very high	93.2	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.178	23%	0.227	C	C	.	.			trans	-112.5	172.2	-176	72.8	0	0	0	0	112.3	T356 H357 A402 Q405	T356-T407 HydrophobicContact CG2-CG2 4.34Å; T356-T407 WeakPolarHBondContact OG1-CB 3.47Å; T356-T407 PolarHBondContact OG1-OG1 2.91Å; H357-T407 PolarHBondContact ND1-OG1 3.23Å; A402-T407 WeakPolarHBondContact CA-OG1 3.35Å; A402-T407 PolarHBondContact O-N 2.8Å; A402-T407 PolarHBondContact O-OG1 3Å; Q405-T407 HydrophobicContact CB-CG2 3.88Å; Q405-T407 PolarHBondContact O-N 3.04Å
408	R	96.8	Very high	93	Very high	54 Å²	54	35.8 Å²	35.8	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.1	-168.2	-53.2	174.4	166.7	-172.6	-3.7	112.2	H335 Y337 N353 V355 T356 H357	H335-R408 CarbonylContact O-C 3.47Å; H335-R408 VanDerWaalsContact O-CA 3.29Å; H335-R408 WeakPolarHBondContact O-CA 3.31Å; Y337-R408 HydrophobicContact CE2-CB 4.48Å; Y337-R408 PolarHBondContact OH-NH1 3.34Å; N353-R408 WeakPolarHBondContact O-CD 3.41Å; N353-R408 PolarHBondContact O-NH1 3.35Å; V355-R408 WeakPolarHBondContact CA-O 3.31Å; T356-R408 PolarHBondContact N-O 3.34Å; H357-R408 PolarHBondContact N-O 3.4Å
409	V	98.3	Very high	92.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.5	-175.1	-168.1	0	0	0	0	110.6	H335 L336 Y337 H357 L359 F398 I399 A402 V411	H335-V409 PolarHBondContact O-N 3Å; L336-V409 HydrophobicContact CD1-CB 3.86Å; L336-V409 HydrophobicContact CD1-CG1 4.29Å; Y337-V409 PolarHBondContact N-O 3.47Å; H357-V409 HydrophobicContact CB-CB 4.42Å; H357-V409 HydrophobicContact CB-CG1 4.24Å; H357-V409 HydrophobicContact CB-CG2 4.04Å; H357-V409 VanDerWaalsContact O-CA 3.28Å; H357-V409 WeakPolarHBondContact O-CA 3.31Å; L359-V409 HydrophobicContact CB-CG1 4.41Å; F398-V409 HydrophobicContact CD1-CG1 4.44Å; F398-V409 HydrophobicContact CE1-CG1 4.08Å; I399-V409 HydrophobicContact CG1-CG1 4.32Å; I399-V409 HydrophobicContact CG2-CG2 4.37Å; A402-V409 HydrophobicContact CB-CG2 3.32Å; V409-V411 HydrophobicContact CG1-CG2 4.37Å
410	L	98.1	Very high	92.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.4	159.8	176.7	64.6	0	0	0	109.8	A329 N343 A344 L350 V355 H357 I358 L359 H412	A329-L410 HydrophobicContact CB-CD1 4.03Å; N343-L410 HydrophobicContact CB-CD2 4.01Å; A344-L410 HydrophobicContact CB-CD2 4.11Å; L350-L410 HydrophobicContact CD2-CB 4.2Å; L350-L410 HydrophobicContact CD2-CD2 3.74Å; V355-L410 HydrophobicContact CG1-CB 4.05Å; H357-L410 PolarHBondContact O-N 3.13Å; I358-L410 WeakPolarHBondContact CA-O 3.47Å; L359-L410 PolarHBondContact N-O 2.93Å; L410-H412 HydrophobicContact CD2-CB 4.47Å; L410-H412 HydrophobicContact CG-CB 4.38Å
411	V	98.4	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.2	166.6	-169.3	0	0	0	0	108.5	L336 Y337 L338 G339 L359 M361 I399 V409 V424	L336-V411 HydrophobicContact CD1-CG2 3.58Å; L336-V411 HydrophobicContact CG-CG2 4.47Å; Y337-V411 PolarHBondContact O-N 2.8Å; L338-V411 WeakPolarHBondContact CA-O 3.45Å; G339-V411 PolarHBondContact N-O 3.36Å; L359-V411 HydrophobicContact CB-CB 4.48Å; L359-V411 HydrophobicContact CB-CG1 4.32Å; L359-V411 HydrophobicContact CB-CG2 4.22Å; L359-V411 HydrophobicContact CD2-CG1 3.85Å; L359-V411 HydrophobicContact CD2-CG2 4.02Å; L359-V411 HydrophobicContact CG-CG1 4.03Å; M361-V411 HydrophobicContact CG-CG1 3.91Å; I399-V411 HydrophobicContact CD1-CG2 4.23Å; V409-V411 HydrophobicContact CG1-CG2 4.37Å; V411-V424 HydrophobicContact CB-CG2 3.85Å; V411-V424 HydrophobicContact CG1-CG2 4.13Å; V411-V424 HydrophobicContact CG2-CG2 3.91Å
412	H	96.2	Very high	93.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159	-179.3	82.4	98.5	0	0	0	113.2	G339 A344 L359 N360 M361 L410	G339-H412 VanDerWaalsContact O-CA 3.3Å; G339-H412 WeakPolarHBondContact O-CA 3.4Å; G339-H412 WeakPolarHBondContact O-CB 3.44Å; A344-H412 HydrophobicContact CB-CB 4.45Å; L359-H412 PolarHBondContact O-N 2.93Å; N360-H412 VanDerWaalsContact CB-NE2 3.34Å; N360-H412 WeakPolarHBondContact CB-NE2 3.23Å; N360-H412 VanDerWaalsContact CG-CE1 3.48Å; N360-H412 PolarHBondContact OD1-CE1 3.41Å; M361-H412 VanDerWaalsContact CB-O 3.28Å; M361-H412 WeakPolarHBondContact CB-O 3.48Å; M361-H412 PolarHBondContact N-O 3.19Å; L410-H412 HydrophobicContact CD2-CB 4.47Å; L410-H412 HydrophobicContact CG-CB 4.38Å
413	C	93.1	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.			trans	-129.6	-142	162.3	68	0	0	0	0	107.7	E341 M361 A362 G416 R419 S420	E341-C413 PolarHBondContact N-O 3.3Å; E341-C413 VanDerWaalsContact N-O 3.16Å; M361-C413 HydrophobicContact CB-CB 4.26Å; A362-C413 HydrophobicContact CB-CB 4.19Å; C413-G416 PolarHBondContact SG-N 2.8Å; C413-G416 VanDerWaalsContact SG-N 3.45Å; C413-R419 HydrophobicContact CB-CB 3.81Å; C413-S420 PolarHBondContact SG-OG 3.12Å; C413-S420 VanDerWaalsContact SG-OG 3.41Å
414	K	78.6	Confident	93.5	Very high	92 Å²	92	26.3 Å²	26.3	40%	0.4	16%	0.156	S	C	.	.	S	Bend	trans	-69.4	-76.1	167.7	-165	-179.3	-176.5	-172.4	0	111.7	S340 E341 I365	S340-K414 CarbonylContact C-O 3.47Å; S340-K414 VanDerWaalsContact CA-O 3.26Å; S340-K414 WeakPolarHBondContact CA-O 3.27Å; S340-K414 VanDerWaalsContact CB-O 3.27Å; S340-K414 WeakPolarHBondContact CB-O 3.33Å; E341-K414 PolarHBondContact N-O 3.31Å; E341-K414 WeakPolarHBondContact OE1-CE 3.24Å; E341-K414 WeakPolarHBondContact OE1-CG 3.43Å; I365-K414 HydrophobicContact CD1-CG 4.3Å; I365-K414 HydrophobicContact CG1-CB 4.48Å
415	M	77.9	Confident	93.7	Very high	73 Å²	73	22 Å²	22	36%	0.36	12%	0.121	S	C	.	.	S	Bend	trans	-84.1	-10.6	-173.7	-58.1	-52.9	-65.9	0	0	115.1	V417	M415-V417 HydrophobicContact CB-CB 4.14Å; M415-V417 HydrophobicContact CB-CG2 3.8Å; M415-V417 PolarHBondContact O-N 3.31Å
416	G	88.6	Confident	94	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	68	25.2	-171.2	0	0	0	0	0	114	G339 C413 R447	G339-G416 WeakPolarHBondContact O-CA 3.02Å; C413-G416 PolarHBondContact SG-N 2.8Å; C413-G416 VanDerWaalsContact SG-N 3.45Å; G416-R447 PolarHBondContact O-NE 2.8Å
417	V	87.6	Confident	94.4	Very high	15 Å²	15	13.3 Å²	13.3	9%	0.091	6%	0.063	C	C	.	.	S	Bend	trans	-106.2	-51.4	-173.7	166	0	0	0	0	111.9	M415 A421 I449 R451	M415-V417 HydrophobicContact CB-CB 4.14Å; M415-V417 HydrophobicContact CB-CG2 3.8Å; M415-V417 PolarHBondContact O-N 3.31Å; V417-A421 WeakPolarHBondContact O-CB 3.43Å; V417-I449 WeakPolarHBondContact CG1-O 3.44Å; V417-I449 HydrophobicContact CG2-CB 4.35Å; V417-I449 HydrophobicContact CG2-CD1 4.01Å; V417-I449 HydrophobicContact CG2-CG1 4.16Å; V417-R451 HydrophobicContact CG1-CB 4.21Å; V417-R451 CarbonylContact O-C 3.56Å; V417-R451 VanDerWaalsContact O-C 3.29Å; V417-R451 PolarHBondContact O-N 3Å
418	S	93.3	Very high	94.6	Very high	8 Å²	8	12 Å²	12	6%	0.056	6%	0.055	C	C	.	.	S	Bend	trans	-111.7	-82.7	-167.9	169.2	0	0	0	0	113.6	D382 S420 A421 A422 R451 N453 F456	D382-S418 WeakPolarHBondContact OD1-CB 3.47Å; D382-S418 PolarHBondContact OD1-OG 3.01Å; S418-S420 PolarHBondContact O-N 2.64Å; S418-A421 PolarHBondContact O-N 3.36Å; S418-A421 VanDerWaalsContact O-N 3.11Å; S418-A422 WeakPolarHBondContact O-CB 3.27Å; S418-A422 PolarHBondContact O-N 2.81Å; S418-R451 WeakPolarHBondContact CB-O 3.4Å; S418-N453 PolarHBondContact OG-N 3.4Å; S418-F456 WeakPolarHBondContact OG-CD2 3.39Å; S418-F456 WeakPolarHBondContact OG-CE2 3.34Å
419	R	97.5	Very high	94.6	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.015	5%	0.045	C	C	.	.	H	α-helix	trans	-49.6	-45.3	-175.4	-75.1	166.1	-73.3	178.5	-4.4	115.4	M361 E364 L380 D382 C413 T423 F456	M361-R419 HydrophobicContact CB-CB 4.13Å; M361-R419 WeakPolarHBondContact O-CD 3.39Å; E364-R419 IonicContact OE1-CZ 3.82Å; E364-R419 VanDerWaalsContact OE1-CZ 3.26Å; E364-R419 IonicContact OE1-NH1 3.17Å; E364-R419 PolarHBondContact OE1-NH1 2.77Å; E364-R419 IonicContact OE1-NH2 3.53Å; E364-R419 PolarHBondContact OE1-NH2 3.23Å; E364-R419 IonicContact OE2-CZ 3.6Å; E364-R419 IonicContact OE2-NH1 3.31Å; E364-R419 PolarHBondContact OE2-NH1 3.33Å; L380-R419 WeakPolarHBondContact O-CD 3.28Å; L380-R419 PolarHBondContact O-NH1 3Å; D382-R419 HydrophobicContact CB-CG 4.43Å; D382-R419 IonicContact OD1-NE 3.2Å; D382-R419 IonicContact OD2-CZ 2.72Å; D382-R419 VanDerWaalsContact OD2-CZ 3.3Å; D382-R419 IonicContact OD2-NE 2.69Å; D382-R419 PolarHBondContact OD2-NE 3Å; D382-R419 IonicContact OD2-NH2 2.67Å; D382-R419 PolarHBondContact OD2-NH2 2.96Å; D382-R419 VanDerWaalsContact OD2-NH2 3.11Å; C413-R419 HydrophobicContact CB-CB 3.81Å; R419-T423 PolarHBondContact O-N 3.21Å; R419-T423 PolarHBondContact O-OG1 3.21Å; R419-F456 HydrophobicContact CB-CE2 4.35Å; R419-F456 HydrophobicContact CG-CE2 3.49Å; R419-F456 VanDerWaalsContact CG-CE2 3.49Å; R419-F456 HydrophobicContact CG-CZ 3.71Å
420	S	97.5	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-73.4	-42.4	179	50.2	0	0	0	0	112.3	L338 C413 S418 A422 T423 V424	L338-S420 WeakPolarHBondContact CD1-OG 3.4Å; C413-S420 PolarHBondContact SG-OG 3.12Å; C413-S420 VanDerWaalsContact SG-OG 3.41Å; S418-S420 PolarHBondContact O-N 2.64Å; S420-A422 PolarHBondContact O-N 3.24Å; S420-T423 PolarHBondContact O-N 3.44Å; S420-T423 VanDerWaalsContact O-N 3.12Å; S420-V424 WeakPolarHBondContact O-CG2 3.37Å; S420-V424 PolarHBondContact O-N 3.19Å
421	A	97.3	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-46.3	175.8	0	0	0	0	0	111.2	L338 V417 S418 T423 V424 L425 A450	L338-A421 HydrophobicContact CD1-CB 4.47Å; L338-A421 HydrophobicContact CD2-CB 4.05Å; V417-A421 WeakPolarHBondContact O-CB 3.43Å; S418-A421 PolarHBondContact O-N 3.36Å; S418-A421 VanDerWaalsContact O-N 3.11Å; A421-T423 PolarHBondContact O-N 3.28Å; A421-V424 PolarHBondContact O-N 2.65Å; A421-V424 VanDerWaalsContact O-N 3.12Å; A421-L425 VanDerWaalsContact O-CG 3.24Å; A421-L425 WeakPolarHBondContact O-CG 3.42Å; A421-L425 PolarHBondContact O-N 3.33Å; A421-A450 HydrophobicContact CB-CB 4.07Å
422	A	98.3	Very high	94.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-54.6	-38.4	174.9	0	0	0	0	0	112.6	L388 W392 S418 S420 L425 A426 P452 F456 L460	L388-A422 HydrophobicContact CD1-CB 3.71Å; W392-A422 HydrophobicContact CZ2-CB 4.49Å; S418-A422 WeakPolarHBondContact O-CB 3.27Å; S418-A422 PolarHBondContact O-N 2.81Å; S420-A422 PolarHBondContact O-N 3.24Å; A422-L425 PolarHBondContact O-N 3.04Å; A422-A426 PolarHBondContact O-N 3.38Å; A422-P452 HydrophobicContact CB-CB 4.03Å; A422-P452 HydrophobicContact CB-CG 4.1Å; A422-F456 HydrophobicContact CB-CB 3.97Å; A422-F456 HydrophobicContact CB-CD2 4.35Å; A422-F456 HydrophobicContact CB-CG 4.35Å; A422-L460 HydrophobicContact CB-CD1 4.38Å
423	T	98.5	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-76.8	-33.6	-179.8	-57.5	0	0	0	0	112.7	L359 M361 W392 T395 R419 S420 A421 Y427	L359-T423 HydrophobicContact CD2-CG2 4Å; M361-T423 HydrophobicContact CE-CG2 4.14Å; M361-T423 VanDerWaalsContact CE-OG1 3.23Å; M361-T423 WeakPolarHBondContact CE-OG1 3.46Å; M361-T423 HydrophobicContact SD-CG2 4Å; W392-T423 PolarHBondContact NE1-OG1 3.34Å; T395-T423 HydrophobicContact CG2-CG2 3.99Å; T395-T423 WeakPolarHBondContact OG1-CG2 3.38Å; R419-T423 PolarHBondContact O-N 3.21Å; R419-T423 PolarHBondContact O-OG1 3.21Å; S420-T423 PolarHBondContact O-N 3.44Å; S420-T423 VanDerWaalsContact O-N 3.12Å; A421-T423 PolarHBondContact O-N 3.28Å; T423-Y427 WeakPolarHBondContact O-CB 3.07Å; T423-Y427 PolarHBondContact O-N 2.64Å
424	V	98.4	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-35.8	170.8	171	0	0	0	0	111.4	I332 L336 L338 V411 S420 A421 Y427 A428 V443	I332-V424 HydrophobicContact CB-CG1 4.29Å; I332-V424 HydrophobicContact CG1-CG1 4.21Å; I332-V424 HydrophobicContact CG2-CG1 3.87Å; L336-V424 HydrophobicContact CD2-CG1 4.08Å; L336-V424 HydrophobicContact CD2-CG2 4.21Å; L338-V424 HydrophobicContact CB-CG2 4.33Å; L338-V424 HydrophobicContact CD1-CG2 4.07Å; V411-V424 HydrophobicContact CB-CG2 3.85Å; V411-V424 HydrophobicContact CG1-CG2 4.13Å; V411-V424 HydrophobicContact CG2-CG2 3.91Å; S420-V424 WeakPolarHBondContact O-CG2 3.37Å; S420-V424 PolarHBondContact O-N 3.19Å; A421-V424 PolarHBondContact O-N 2.65Å; A421-V424 VanDerWaalsContact O-N 3.12Å; V424-Y427 PolarHBondContact O-N 2.93Å; V424-A428 WeakPolarHBondContact O-CB 3.43Å; V424-A428 PolarHBondContact O-N 2.83Å; V424-V443 HydrophobicContact CG1-CG2 4.1Å
425	L	98.4	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.6	-49.2	174.2	-68.6	166.8	0	0	0	111.8	A421 A422 Y427 A428 M429 A439 L440 V443 P452 L460	A421-L425 VanDerWaalsContact O-CG 3.24Å; A421-L425 WeakPolarHBondContact O-CG 3.42Å; A421-L425 PolarHBondContact O-N 3.33Å; A422-L425 PolarHBondContact O-N 3.04Å; L425-Y427 VanDerWaalsContact C-N 3.26Å; L425-Y427 PolarHBondContact O-N 3.35Å; L425-A428 PolarHBondContact O-N 2.89Å; L425-A428 VanDerWaalsContact O-N 3.07Å; L425-M429 VanDerWaalsContact O-CG 3.26Å; L425-M429 WeakPolarHBondContact O-CG 3.47Å; L425-M429 PolarHBondContact O-N 3.12Å; L425-A439 HydrophobicContact CD2-CB 3.86Å; L425-A439 VanDerWaalsContact CD2-O 3.26Å; L425-A439 WeakPolarHBondContact CD2-O 3.13Å; L425-L440 HydrophobicContact CD1-CD1 3.88Å; L425-L440 VanDerWaalsContact CD2-CA 3.48Å; L425-L440 HydrophobicContact CD2-CB 4.22Å; L425-L440 HydrophobicContact CD2-CD1 4.35Å; L425-V443 HydrophobicContact CD2-CB 3.91Å; L425-V443 HydrophobicContact CD2-CG1 4.44Å; L425-V443 HydrophobicContact CD2-CG2 3.67Å; L425-V443 HydrophobicContact CG-CG2 4.4Å; L425-P452 HydrophobicContact CD1-CG 3.57Å; L425-L460 HydrophobicContact CB-CD1 4.07Å; L425-L460 HydrophobicContact CB-CD2 4.13Å; L425-L460 HydrophobicContact CD1-CD1 3.93Å
426	A	98.2	Very high	95.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-38.8	175	0	0	0	0	0	112.1	W392 A422 K430 L460 Y463	W392-A426 HydrophobicContact CB-CB 4.16Å; W392-A426 HydrophobicContact CD2-CB 3.34Å; W392-A426 HydrophobicContact CE3-CB 3.79Å; W392-A426 HydrophobicContact CG-CB 3.51Å; W392-A426 HydrophobicContact CZ2-CB 4.21Å; W392-A426 HydrophobicContact CZ3-CB 4.41Å; A422-A426 PolarHBondContact O-N 3.38Å; A426-K430 WeakPolarHBondContact O-CB 3.42Å; A426-K430 PolarHBondContact O-N 2.96Å; A426-L460 HydrophobicContact CB-CD2 3.78Å; A426-Y463 HydrophobicContact CB-CD1 4.15Å; A426-Y463 HydrophobicContact CB-CE1 3.93Å; A426-Y463 WeakPolarHBondContact O-CE1 3.49Å
427	Y	98.3	Very high	96	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-48.3	171.4	169.4	-87.9	0	0	0	111.7	F333 H335 L336 H396 I399 E400 T423 V424 L425 K430 Q431 Y432	F333-Y427 HydrophobicContact CD2-CD1 4.36Å; F333-Y427 AromaticContact CD2-CE1 3.98Å; F333-Y427 HydrophobicContact CD2-CE1 3.98Å; F333-Y427 HydrophobicContact CE2-CD1 4.19Å; F333-Y427 HydrophobicContact CE2-CE1 4.12Å; H335-Y427 PolarHBondContact CE1-OH 3.46Å; H335-Y427 VanDerWaalsContact CE1-OH 3.28Å; H335-Y427 AromaticContact NE2-CZ 3.56Å; H335-Y427 PolarHBondContact NE2-OH 2.88Å; L336-Y427 HydrophobicContact CD2-CD1 3.46Å; L336-Y427 VanDerWaalsContact CD2-CD1 3.46Å; L336-Y427 HydrophobicContact CD2-CE1 3.73Å; L336-Y427 HydrophobicContact CD2-CG 4.1Å; H396-Y427 AromaticContact CD2-CD2 3.55Å; H396-Y427 AromaticContact CD2-CE2 3.87Å; I399-Y427 HydrophobicContact CB-CD2 3.83Å; I399-Y427 HydrophobicContact CB-CE2 3.76Å; I399-Y427 HydrophobicContact CD1-CD2 3.7Å; I399-Y427 HydrophobicContact CD1-CE2 4.43Å; I399-Y427 HydrophobicContact CD1-CG 3.92Å; I399-Y427 HydrophobicContact CG1-CD2 4.38Å; I399-Y427 HydrophobicContact CG2-CD2 3.72Å; I399-Y427 HydrophobicContact CG2-CE1 4.37Å; I399-Y427 HydrophobicContact CG2-CE2 3.28Å; I399-Y427 HydrophobicContact CG2-CG 4.44Å; E400-Y427 WeakPolarHBondContact OE1-CE2 3.25Å; E400-Y427 PolarHBondContact OE1-OH 2.87Å; E400-Y427 VanDerWaalsContact OE1-OH 3.09Å; T423-Y427 WeakPolarHBondContact O-CB 3.07Å; T423-Y427 PolarHBondContact O-N 2.64Å; V424-Y427 PolarHBondContact O-N 2.93Å; L425-Y427 VanDerWaalsContact C-N 3.26Å; L425-Y427 PolarHBondContact O-N 3.35Å; Y427-K430 PolarHBondContact O-N 3.06Å; Y427-Q431 HydrophobicContact CE1-CB 4.13Å; Y427-Q431 HydrophobicContact CE1-CG 4.43Å; Y427-Q431 HydrophobicContact CE2-CB 4.17Å; Y427-Q431 HydrophobicContact CE2-CG 4.29Å; Y427-Q431 VanDerWaalsContact O-CB 3.25Å; Y427-Q431 WeakPolarHBondContact O-CB 3.44Å; Y427-Q431 PolarHBondContact O-N 2.98Å; Y427-Q431 WeakPolarHBondContact OH-CG 3.08Å; Y427-Y432 HydrophobicContact CE1-CE2 4.04Å
428	A	97.3	Very high	96.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-51.4	-178.3	0	0	0	0	0	112.4	F333 V424 L425 K430 Q431 Y432 A439	F333-A428 HydrophobicContact CE2-CB 3.91Å; F333-A428 HydrophobicContact CZ-CB 3.78Å; V424-A428 WeakPolarHBondContact O-CB 3.43Å; V424-A428 PolarHBondContact O-N 2.83Å; L425-A428 PolarHBondContact O-N 2.89Å; L425-A428 VanDerWaalsContact O-N 3.07Å; A428-K430 PolarHBondContact O-N 2.91Å; A428-Q431 PolarHBondContact O-N 3.22Å; A428-Q431 VanDerWaalsContact O-N 3.14Å; A428-Y432 PolarHBondContact O-N 3.17Å; A428-A439 HydrophobicContact CB-CB 4.05Å
429	M	97.3	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-34.7	179.1	-65.3	159.9	63.2	0	0	112.8	L425 E433 C434 L436 A439 L460 Q464 L467	L425-M429 VanDerWaalsContact O-CG 3.26Å; L425-M429 WeakPolarHBondContact O-CG 3.47Å; L425-M429 PolarHBondContact O-N 3.12Å; M429-E433 CarbonylContact O-C 3.59Å; M429-E433 WeakPolarHBondContact O-CA 3.11Å; M429-C434 WeakPolarHBondContact CA-O 3.47Å; M429-L436 HydrophobicContact CE-CB 3.92Å; M429-L436 HydrophobicContact SD-CB 4.07Å; M429-L436 HydrophobicContact SD-CD1 3.83Å; M429-A439 HydrophobicContact CG-CB 3.74Å; M429-L460 HydrophobicContact SD-CD2 3.98Å; M429-Q464 HydrophobicContact CE-CB 3.57Å; M429-Q464 HydrophobicContact CE-CG 3.96Å; M429-L467 HydrophobicContact CB-CD1 4.05Å
430	K	95.7	Very high	96.4	Very high	71 Å²	71	24.9 Å²	24.9	31%	0.309	12%	0.12	S	C	.	.	H	α-helix	trans	-80.7	-37.6	177	-179.5	175.2	171.1	-159.4	0	112.8	H396 A426 Y427 A428 Y463 L467	H396-K430 HydrophobicContact CB-CD 4.41Å; H396-K430 PolarHBondContact CE1-NZ 2.97Å; H396-K430 PolarHBondContact ND1-NZ 3.1Å; A426-K430 WeakPolarHBondContact O-CB 3.42Å; A426-K430 PolarHBondContact O-N 2.96Å; Y427-K430 PolarHBondContact O-N 3.06Å; A428-K430 PolarHBondContact O-N 2.91Å; K430-Y463 HydrophobicContact CB-CE1 4.38Å; K430-Y463 WeakPolarHBondContact CD-OH 3.46Å; K430-L467 HydrophobicContact CB-CD1 4.17Å; K430-L467 HydrophobicContact CB-CD2 4.11Å; K430-L467 HydrophobicContact CD-CD2 4.42Å; K430-L467 HydrophobicContact CG-CD2 4Å
431	Q	95.4	Very high	96.2	Very high	53 Å²	53	31.8 Å²	31.8	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-90.6	-34	-169.5	-169.2	56.4	43.9	0	0	114.4	H396 E400 R403 Y427 A428	H396-Q431 PolarHBondContact CE1-OE1 3.32Å; H396-Q431 PolarHBondContact NE2-OE1 3.47Å; E400-Q431 VanDerWaalsContact CD-OE1 3.27Å; E400-Q431 PolarHBondContact OE2-OE1 2.82Å; E400-Q431 VanDerWaalsContact OE2-OE1 3.1Å; R403-Q431 VanDerWaalsContact NH1-CD 3.33Å; Y427-Q431 HydrophobicContact CE1-CB 4.13Å; Y427-Q431 HydrophobicContact CE1-CG 4.43Å; Y427-Q431 HydrophobicContact CE2-CB 4.17Å; Y427-Q431 HydrophobicContact CE2-CG 4.29Å; Y427-Q431 VanDerWaalsContact O-CB 3.25Å; Y427-Q431 WeakPolarHBondContact O-CB 3.44Å; Y427-Q431 PolarHBondContact O-N 2.98Å; Y427-Q431 WeakPolarHBondContact OH-CG 3.08Å; A428-Q431 PolarHBondContact O-N 3.22Å; A428-Q431 VanDerWaalsContact O-N 3.14Å
432	Y	93.5	Very high	96	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.114	15%	0.149	C	C	.	.	S	Bend	trans	-106.6	12.8	176.6	-58.4	-82.9	0	0	0	111.5	F333 Y427 A428 C434 M559 P560	F333-Y432 HydrophobicContact CD1-CD2 4.29Å; F333-Y432 HydrophobicContact CD1-CE1 4.38Å; F333-Y432 AromaticContact CD1-CE2 3.47Å; F333-Y432 HydrophobicContact CD1-CE2 3.47Å; F333-Y432 VanDerWaalsContact CD1-CE2 3.47Å; F333-Y432 AromaticContact CD1-CZ 3.53Å; F333-Y432 WeakPolarHBondContact CD1-OH 3.41Å; F333-Y432 AromaticContact CD2-CE2 3.97Å; F333-Y432 HydrophobicContact CD2-CE2 3.97Å; F333-Y432 AromaticContact CE1-CD2 3.61Å; F333-Y432 HydrophobicContact CE1-CD2 3.61Å; F333-Y432 HydrophobicContact CE1-CE1 4.38Å; F333-Y432 AromaticContact CE1-CE2 3.25Å; F333-Y432 HydrophobicContact CE1-CE2 3.25Å; F333-Y432 HydrophobicContact CE1-CG 4.32Å; F333-Y432 AromaticContact CE1-CZ 3.69Å; F333-Y432 HydrophobicContact CE2-CD2 4.25Å; F333-Y432 AromaticContact CE2-CE2 3.79Å; F333-Y432 HydrophobicContact CE2-CE2 3.79Å; F333-Y432 AromaticContact CG-CE2 3.84Å; F333-Y432 HydrophobicContact CG-CE2 3.84Å; F333-Y432 AromaticContact CZ-CD2 3.59Å; F333-Y432 HydrophobicContact CZ-CD2 3.59Å; F333-Y432 AromaticContact CZ-CE2 3.43Å; F333-Y432 HydrophobicContact CZ-CE2 3.43Å; F333-Y432 VanDerWaalsContact CZ-CE2 3.43Å; Y427-Y432 HydrophobicContact CE1-CE2 4.04Å; A428-Y432 PolarHBondContact O-N 3.17Å; Y432-C434 PolarHBondContact O-N 3.22Å; Y432-M559 HydrophobicContact CD1-CE 4.45Å; Y432-M559 HydrophobicContact CD1-SD 3.8Å; Y432-P560 HydrophobicContact CE1-CG 4.29Å
433	E	91.9	Very high	95.9	Very high	118 Å²	118	32.4 Å²	32.4	55%	0.551	15%	0.149	S	C	*	.			trans	55.2	15.2	175	-84.1	-159.7	-140.7	0	0	116.5	M429 R471	M429-E433 CarbonylContact O-C 3.59Å; M429-E433 WeakPolarHBondContact O-CA 3.11Å; E433-R471 PolarHBondContact O-NH1 3.18Å; E433-R471 PolarHBondContact O-NH2 2.91Å; E433-R471 WeakPolarHBondContact OE2-CD 3.25Å; E433-R471 IonicContact OE2-CZ 2.66Å; E433-R471 IonicContact OE2-NE 2.79Å; E433-R471 PolarHBondContact OE2-NE 2.85Å; E433-R471 IonicContact OE2-NH1 3.25Å; E433-R471 PolarHBondContact OE2-NH1 3.12Å
434	C	92.4	Very high	95.4	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.061	16%	0.164	C	C	.	.			trans	-85.4	165.7	-172.8	61.5	0	0	0	0	114.6	M429 Y432 Q438 F563	M429-C434 WeakPolarHBondContact CA-O 3.47Å; Y432-C434 PolarHBondContact O-N 3.22Å; C434-Q438 HydrophobicContact CB-CB 4.06Å; C434-F563 HydrophobicContact CB-CD1 3.51Å; C434-F563 HydrophobicContact CB-CE1 3.8Å; C434-F563 WeakPolarHBondContact SG-CE1 3.45Å
435	S	96	Very high	95	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	19%	0.189	C	C	.	.			trans	-71.9	161.9	176.9	102.4	0	0	0	0	112	E437 Q438 A439	S435-E437 WeakPolarHBondContact CB-OE2 3.48Å; S435-E437 PolarHBondContact O-N 3.09Å; S435-E437 WeakPolarHBondContact OG-CB 3.32Å; S435-E437 PolarHBondContact OG-N 2.93Å; S435-E437 VanDerWaalsContact OG-N 3.13Å; S435-E437 PolarHBondContact OG-OE2 3.27Å; S435-Q438 PolarHBondContact O-N 3.11Å; S435-Q438 PolarHBondContact OG-N 3.37Å; S435-Q438 VanDerWaalsContact OG-N 3.09Å; S435-A439 WeakPolarHBondContact O-CB 3.49Å; S435-A439 PolarHBondContact O-N 2.76Å
436	L	96.9	Very high	94.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-38.5	173	173.4	55.2	0	0	0	111.3	M429 A439 L440 L460 Q461	M429-L436 HydrophobicContact CE-CB 3.92Å; M429-L436 HydrophobicContact SD-CB 4.07Å; M429-L436 HydrophobicContact SD-CD1 3.83Å; L436-A439 PolarHBondContact O-N 2.61Å; L436-L440 WeakPolarHBondContact O-CB 3.23Å; L436-L440 PolarHBondContact O-N 3.31Å; L436-L460 HydrophobicContact CD1-CB 3.8Å; L436-L460 HydrophobicContact CD1-CD1 3.86Å; L436-L460 HydrophobicContact CD1-CG 4.29Å; L436-L460 HydrophobicContact CD2-CB 3.85Å; L436-L460 HydrophobicContact CG-CB 4.46Å; L436-Q461 HydrophobicContact CD2-CG 3.67Å
437	E	95.6	Very high	94	Very high	102 Å²	102	44.4 Å²	44.4	48%	0.477	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-42	-179.9	-55.5	67.9	-147.8	0	0	111.4	S435 R441 Q464	S435-E437 WeakPolarHBondContact CB-OE2 3.48Å; S435-E437 PolarHBondContact O-N 3.09Å; S435-E437 WeakPolarHBondContact OG-CB 3.32Å; S435-E437 PolarHBondContact OG-N 2.93Å; S435-E437 VanDerWaalsContact OG-N 3.13Å; S435-E437 PolarHBondContact OG-OE2 3.27Å; E437-R441 WeakPolarHBondContact O-CB 3.33Å; E437-R441 PolarHBondContact O-N 3.03Å; E437-R441 VanDerWaalsContact O-N 3.07Å; E437-Q464 PolarHBondContact OE2-NE2 3.34Å
438	Q	95.2	Very high	93.2	Very high	59 Å²	59	48 Å²	48	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-48.3	173.8	-70.9	172.5	-41.1	0	0	111.3	C434 S435 L440 R441 H442 F563	C434-Q438 HydrophobicContact CB-CB 4.06Å; S435-Q438 PolarHBondContact O-N 3.11Å; S435-Q438 PolarHBondContact OG-N 3.37Å; S435-Q438 VanDerWaalsContact OG-N 3.09Å; Q438-L440 PolarHBondContact O-N 2.77Å; Q438-R441 PolarHBondContact O-N 2.86Å; Q438-H442 PolarHBondContact O-N 3.3Å; Q438-H442 VanDerWaalsContact O-N 3.11Å; Q438-F563 HydrophobicContact CB-CE1 4.42Å
439	A	96.9	Very high	92.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-42.6	177.8	0	0	0	0	0	111.9	L425 A428 M429 S435 L436 V443	L425-A439 HydrophobicContact CD2-CB 3.86Å; L425-A439 VanDerWaalsContact CD2-O 3.26Å; L425-A439 WeakPolarHBondContact CD2-O 3.13Å; A428-A439 HydrophobicContact CB-CB 4.05Å; M429-A439 HydrophobicContact CG-CB 3.74Å; S435-A439 WeakPolarHBondContact O-CB 3.49Å; S435-A439 PolarHBondContact O-N 2.76Å; L436-A439 PolarHBondContact O-N 2.61Å; A439-V443 WeakPolarHBondContact O-CB 3.39Å; A439-V443 VanDerWaalsContact O-CG2 3.26Å; A439-V443 WeakPolarHBondContact O-CG2 3.36Å; A439-V443 PolarHBondContact O-N 3.04Å
440	L	95.1	Very high	92	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-42.2	179.3	-175.5	63.1	0	0	0	111.5	L425 L436 Q438 Q444	L425-L440 HydrophobicContact CD1-CD1 3.88Å; L425-L440 VanDerWaalsContact CD2-CA 3.48Å; L425-L440 HydrophobicContact CD2-CB 4.22Å; L425-L440 HydrophobicContact CD2-CD1 4.35Å; L436-L440 WeakPolarHBondContact O-CB 3.23Å; L436-L440 PolarHBondContact O-N 3.31Å; Q438-L440 PolarHBondContact O-N 2.77Å; L440-Q444 HydrophobicContact CD1-CG 4.16Å; L440-Q444 HydrophobicContact CG-CG 4.47Å; L440-Q444 VanDerWaalsContact O-CB 3.29Å; L440-Q444 WeakPolarHBondContact O-CB 3.35Å; L440-Q444 VanDerWaalsContact O-CG 3.29Å; L440-Q444 WeakPolarHBondContact O-CG 3.26Å; L440-Q444 PolarHBondContact O-N 3.39Å
441	R	94.3	Very high	91.8	Very high	146 Å²	146	50.3 Å²	50.3	55%	0.551	24%	0.237	S	C	*	.	H	α-helix	trans	-59.5	-56	175.9	-168.1	-169.3	-56.3	157.1	4.4	111.6	E437 Q438 V443 Q444 E445	E437-R441 WeakPolarHBondContact O-CB 3.33Å; E437-R441 PolarHBondContact O-N 3.03Å; E437-R441 VanDerWaalsContact O-N 3.07Å; Q438-R441 PolarHBondContact O-N 2.86Å; R441-V443 VanDerWaalsContact C-N 3.32Å; R441-V443 PolarHBondContact O-N 3.47Å; R441-Q444 CarbonylContact O-C 3.59Å; R441-Q444 PolarHBondContact O-N 3.08Å; R441-E445 VanDerWaalsContact CG-OE1 3.31Å; R441-E445 WeakPolarHBondContact CG-OE1 3.48Å; R441-E445 WeakPolarHBondContact O-CG 3.5Å; R441-E445 PolarHBondContact O-N 3.03Å
442	H	93.5	Very high	91.8	Very high	13 Å²	13	48 Å²	48	6%	0.06	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-43.3	179.1	178.4	90.8	0	0	0	112.6	I332 F333 Q438 L446 V562 F563	I332-H442 PolarHBondContact O-NE2 2.76Å; F333-H442 AromaticContact CE1-NE2 3.66Å; Q438-H442 PolarHBondContact O-N 3.3Å; Q438-H442 VanDerWaalsContact O-N 3.11Å; H442-L446 WeakPolarHBondContact NE2-CD1 3.28Å; H442-L446 PolarHBondContact O-N 2.86Å; H442-V562 HydrophobicContact CB-CG1 4.17Å; H442-F563 HydrophobicContact CB-CE1 4.37Å; H442-F563 HydrophobicContact CB-CE2 4.39Å; H442-F563 HydrophobicContact CB-CZ 3.65Å; H442-F563 AromaticContact CD2-CZ 4Å; H442-F563 AromaticContact CE1-CE2 3.93Å; H442-F563 AromaticContact CG-CE2 3.84Å; H442-F563 AromaticContact CG-CZ 3.55Å; H442-F563 AromaticContact ND1-CE2 3.65Å; H442-F563 AromaticContact ND1-CZ 3.82Å
443	V	94.5	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-33.3	177.8	173.8	0	0	0	0	111.9	I332 L338 V424 L425 A439 R441 R447 A450	I332-V443 HydrophobicContact CG2-CG2 3.84Å; L338-V443 HydrophobicContact CD2-CG1 3.85Å; V424-V443 HydrophobicContact CG1-CG2 4.1Å; L425-V443 HydrophobicContact CD2-CB 3.91Å; L425-V443 HydrophobicContact CD2-CG1 4.44Å; L425-V443 HydrophobicContact CD2-CG2 3.67Å; L425-V443 HydrophobicContact CG-CG2 4.4Å; A439-V443 WeakPolarHBondContact O-CB 3.39Å; A439-V443 VanDerWaalsContact O-CG2 3.26Å; A439-V443 WeakPolarHBondContact O-CG2 3.36Å; A439-V443 PolarHBondContact O-N 3.04Å; R441-V443 VanDerWaalsContact C-N 3.32Å; R441-V443 PolarHBondContact O-N 3.47Å; V443-R447 WeakPolarHBondContact O-CA 3.3Å; V443-R447 WeakPolarHBondContact O-CB 3.45Å; V443-R447 PolarHBondContact O-N 3.49Å; V443-A450 HydrophobicContact CG1-CB 3.8Å
444	Q	89.6	Confident	91.8	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-77.9	-31.2	176.9	-76	-179.8	-21.9	0	0	113.2	L440 R441 L446 R447 P448 A450	L440-Q444 HydrophobicContact CD1-CG 4.16Å; L440-Q444 HydrophobicContact CG-CG 4.47Å; L440-Q444 VanDerWaalsContact O-CB 3.29Å; L440-Q444 WeakPolarHBondContact O-CB 3.35Å; L440-Q444 VanDerWaalsContact O-CG 3.29Å; L440-Q444 WeakPolarHBondContact O-CG 3.26Å; L440-Q444 PolarHBondContact O-N 3.39Å; R441-Q444 CarbonylContact O-C 3.59Å; R441-Q444 PolarHBondContact O-N 3.08Å; Q444-L446 VanDerWaalsContact C-N 3.32Å; Q444-L446 PolarHBondContact O-N 3.14Å; Q444-R447 CarbonylContact O-C 3.58Å; Q444-R447 PolarHBondContact O-N 3.13Å; Q444-P448 WeakPolarHBondContact O-CA 3.48Å; Q444-P448 WeakPolarHBondContact O-CD 3.43Å; Q444-P448 WeakPolarHBondContact O-CG 3.49Å; Q444-A450 HydrophobicContact CG-CB 4.31Å; Q444-A450 PolarHBondContact NE2-O 3.44Å
445	E	88.8	Confident	92	Very high	115 Å²	115	44.6 Å²	44.6	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-41.5	171.3	-73.3	161.7	172.9	0	0	111	R441	R441-E445 VanDerWaalsContact CG-OE1 3.31Å; R441-E445 WeakPolarHBondContact CG-OE1 3.48Å; R441-E445 WeakPolarHBondContact O-CG 3.5Å; R441-E445 PolarHBondContact O-N 3.03Å
446	L	88.4	Confident	92.1	Very high	67 Å²	67	43.2 Å²	43.2	35%	0.351	21%	0.208	S	C	.	.	H	α-helix	trans	-89	-14.7	179.1	-60.2	174.2	0	0	0	114.1	S330 I332 H442 Q444	S330-L446 VanDerWaalsContact CB-O 3.26Å; S330-L446 WeakPolarHBondContact CB-O 3.36Å; S330-L446 PolarHBondContact OG-O 3.23Å; I332-L446 HydrophobicContact CD1-CB 3.79Å; H442-L446 WeakPolarHBondContact NE2-CD1 3.28Å; H442-L446 PolarHBondContact O-N 2.86Å; Q444-L446 VanDerWaalsContact C-N 3.32Å; Q444-L446 PolarHBondContact O-N 3.14Å
447	R	87.1	Confident	92.1	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.011	22%	0.22	C	C	.	.			trans	-151.4	84.2	174.7	-164.8	170.3	-171	79.8	-1.9	110.8	R328 S330 I332 L338 G416 V443 Q444 I449 A450	R328-R447 PolarHBondContact O-NH1 2.78Å; S330-R447 WeakPolarHBondContact OG-CB 3.41Å; S330-R447 WeakPolarHBondContact OG-CG 3.19Å; S330-R447 PolarHBondContact OG-NH1 2.91Å; I332-R447 HydrophobicContact CD1-CB 4.45Å; L338-R447 PolarHBondContact O-NH1 2.78Å; G416-R447 PolarHBondContact O-NE 2.8Å; V443-R447 WeakPolarHBondContact O-CA 3.3Å; V443-R447 WeakPolarHBondContact O-CB 3.45Å; V443-R447 PolarHBondContact O-N 3.49Å; Q444-R447 CarbonylContact O-C 3.58Å; Q444-R447 PolarHBondContact O-N 3.13Å; R447-I449 HydrophobicContact CG-CG1 3.83Å; R447-I449 PolarHBondContact O-N 3.42Å; R447-A450 HydrophobicContact CB-CB 4.28Å; R447-A450 HydrophobicContact CG-CB 4.44Å; R447-A450 WeakPolarHBondContact O-CB 3.24Å; R447-A450 PolarHBondContact O-N 2.97Å
448	P	82.3	Confident	92.3	Very high	79 Å²	79	47 Å²	47	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.2	-175.3	-29.3	36.5	0	0	0	115.5	Q444 A450	Q444-P448 WeakPolarHBondContact O-CA 3.48Å; Q444-P448 WeakPolarHBondContact O-CD 3.43Å; Q444-P448 WeakPolarHBondContact O-CG 3.49Å; P448-A450 VanDerWaalsContact C-N 3.31Å
449	I	80.5	Confident	92.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.7	175.5	72.8	172.2	0	0	0	113.9	R326 V417 R447 R451	R326-I449 HydrophobicContact CB-CD1 4.42Å; R326-I449 HydrophobicContact CG-CD1 3.74Å; V417-I449 WeakPolarHBondContact CG1-O 3.44Å; V417-I449 HydrophobicContact CG2-CB 4.35Å; V417-I449 HydrophobicContact CG2-CD1 4.01Å; V417-I449 HydrophobicContact CG2-CG1 4.16Å; R447-I449 HydrophobicContact CG-CG1 3.83Å; R447-I449 PolarHBondContact O-N 3.42Å; I449-R451 PolarHBondContact O-N 3.27Å
450	A	89.3	Confident	92.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	21%	0.213	C	C	.	.			trans	-68.2	115	-178.1	0	0	0	0	0	111.3	A421 V443 Q444 R447 P448	A421-A450 HydrophobicContact CB-CB 4.07Å; V443-A450 HydrophobicContact CG1-CB 3.8Å; Q444-A450 HydrophobicContact CG-CB 4.31Å; Q444-A450 PolarHBondContact NE2-O 3.44Å; R447-A450 HydrophobicContact CB-CB 4.28Å; R447-A450 HydrophobicContact CG-CB 4.44Å; R447-A450 WeakPolarHBondContact O-CB 3.24Å; R447-A450 PolarHBondContact O-N 2.97Å; P448-A450 VanDerWaalsContact C-N 3.31Å
451	R	90.7	Very high	92.6	Very high	115 Å²	115	48.6 Å²	48.6	43%	0.434	23%	0.228	S	C	.	.			trans	-152.6	94	-178.3	-164.3	177	-56.9	163.1	15.1	110.4	W280 V417 S418 I449	W280-R451 VanDerWaalsContact CZ3-CZ 3.43Å; V417-R451 HydrophobicContact CG1-CB 4.21Å; V417-R451 CarbonylContact O-C 3.56Å; V417-R451 VanDerWaalsContact O-C 3.29Å; V417-R451 PolarHBondContact O-N 3Å; S418-R451 WeakPolarHBondContact CB-O 3.4Å; I449-R451 PolarHBondContact O-N 3.27Å
452	P	95.2	Very high	92.7	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.032	23%	0.225	C	C	.	.			trans	-54.5	143.2	168	-24.2	34.4	0	0	0	111.8	A422 L425 F456 L457 L460	A422-P452 HydrophobicContact CB-CB 4.03Å; A422-P452 HydrophobicContact CB-CG 4.1Å; L425-P452 HydrophobicContact CD1-CG 3.57Å; P452-F456 HydrophobicContact CB-CB 4.04Å; P452-L457 HydrophobicContact CB-CD2 3.82Å; P452-L457 HydrophobicContact CB-CG 4.04Å; P452-L457 HydrophobicContact CG-CD2 4.01Å; P452-L460 HydrophobicContact CG-CD1 4.35Å
453	N	92.3	Very high	92.9	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.112	23%	0.227	C	C	.	.			trans	-63	160	171.6	81.4	29.2	0	0	0	111.3	D382 E383 E384 S418 G455 F456 L457	D382-N453 PolarHBondContact O-ND2 3.03Å; E383-N453 PolarHBondContact O-ND2 3.19Å; E384-N453 PolarHBondContact N-ND2 2.8Å; S418-N453 PolarHBondContact OG-N 3.4Å; N453-G455 VanDerWaalsContact C-N 3.25Å; N453-G455 PolarHBondContact O-N 3.3Å; N453-G455 WeakPolarHBondContact OD1-CA 3.26Å; N453-G455 PolarHBondContact OD1-N 3.39Å; N453-F456 HydrophobicContact CB-CD2 4.31Å; N453-F456 VanDerWaalsContact CG-CD2 3.47Å; N453-F456 WeakPolarHBondContact ND2-CE2 3.15Å; N453-F456 PolarHBondContact O-N 2.89Å; N453-F456 WeakPolarHBondContact OD1-CD2 3.49Å; N453-F456 WeakPolarHBondContact OD1-CG 3.49Å; N453-F456 PolarHBondContact OD1-N 3.33Å; N453-L457 PolarHBondContact O-N 2.55Å
454	P	94	Very high	93	Very high	60 Å²	60	48.9 Å²	48.9	39%	0.39	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-29.9	-174.8	-24.2	34.1	0	0	0	114.4	E384 L457 R458	E384-P454 HydrophobicContact CG-CB 4.46Å; E384-P454 WeakPolarHBondContact OE1-CD 3.31Å; E384-P454 VanDerWaalsContact OE1-CG 3.32Å; E384-P454 WeakPolarHBondContact OE1-CG 3.49Å; P454-L457 PolarHBondContact O-N 2.92Å; P454-R458 WeakPolarHBondContact O-CG 3.19Å; P454-R458 PolarHBondContact O-N 2.74Å
455	G	96.6	Very high	93.3	Very high	4 Å²	4	47.8 Å²	47.8	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-38.4	173.8	0	0	0	0	0	112.9	N453 Q459	N453-G455 VanDerWaalsContact C-N 3.25Å; N453-G455 PolarHBondContact O-N 3.3Å; N453-G455 WeakPolarHBondContact OD1-CA 3.26Å; N453-G455 PolarHBondContact OD1-N 3.39Å; G455-Q459 WeakPolarHBondContact O-CG 3.28Å; G455-Q459 PolarHBondContact O-N 2.72Å; G455-Q459 PolarHBondContact O-NE2 3.18Å; G455-Q459 VanDerWaalsContact O-NE2 3.08Å
456	F	97.8	Very high	93.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.2	-34.5	173.9	-57.8	-31.5	0	0	0	112.6	D382 A386 L388 S418 R419 A422 P452 N453 Q459 L460	D382-F456 WeakPolarHBondContact OD1-CE2 3.41Å; A386-F456 HydrophobicContact CB-CE1 3.95Å; A386-F456 HydrophobicContact CB-CZ 4.12Å; A386-F456 WeakPolarHBondContact O-CE1 3.25Å; L388-F456 HydrophobicContact CB-CD1 4.34Å; L388-F456 HydrophobicContact CD1-CB 4.39Å; L388-F456 HydrophobicContact CD1-CD1 3.54Å; L388-F456 HydrophobicContact CD1-CD2 3.91Å; L388-F456 HydrophobicContact CD1-CE1 3.67Å; L388-F456 HydrophobicContact CD1-CE2 4.05Å; L388-F456 HydrophobicContact CD1-CG 3.68Å; L388-F456 HydrophobicContact CD1-CZ 3.95Å; L388-F456 HydrophobicContact CG-CD1 3.95Å; L388-F456 HydrophobicContact CG-CE1 3.79Å; L388-F456 HydrophobicContact CG-CZ 4.29Å; S418-F456 WeakPolarHBondContact OG-CD2 3.39Å; S418-F456 WeakPolarHBondContact OG-CE2 3.34Å; R419-F456 HydrophobicContact CB-CE2 4.35Å; R419-F456 HydrophobicContact CG-CE2 3.49Å; R419-F456 VanDerWaalsContact CG-CE2 3.49Å; R419-F456 HydrophobicContact CG-CZ 3.71Å; A422-F456 HydrophobicContact CB-CB 3.97Å; A422-F456 HydrophobicContact CB-CD2 4.35Å; A422-F456 HydrophobicContact CB-CG 4.35Å; P452-F456 HydrophobicContact CB-CB 4.04Å; N453-F456 HydrophobicContact CB-CD2 4.31Å; N453-F456 VanDerWaalsContact CG-CD2 3.47Å; N453-F456 WeakPolarHBondContact ND2-CE2 3.15Å; N453-F456 PolarHBondContact O-N 2.89Å; N453-F456 WeakPolarHBondContact OD1-CD2 3.49Å; N453-F456 WeakPolarHBondContact OD1-CG 3.49Å; N453-F456 PolarHBondContact OD1-N 3.33Å; F456-Q459 PolarHBondContact O-N 3.12Å; F456-L460 WeakPolarHBondContact O-CG 3.43Å; F456-L460 PolarHBondContact O-N 3.44Å
457	L	97.6	Very high	93.8	Very high	54 Å²	54	44.5 Å²	44.5	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-45.3	172.6	-68	176.1	0	0	0	111.6	P452 N453 P454 Q459 L460 Q461	P452-L457 HydrophobicContact CB-CD2 3.82Å; P452-L457 HydrophobicContact CB-CG 4.04Å; P452-L457 HydrophobicContact CG-CD2 4.01Å; N453-L457 PolarHBondContact O-N 2.55Å; P454-L457 PolarHBondContact O-N 2.92Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; L457-Q459 PolarHBondContact O-N 2.67Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L457-L460 PolarHBondContact O-N 3.36Å; L457-Q461 WeakPolarHBondContact O-CG 3.37Å; L457-Q461 PolarHBondContact O-N 3.25Å
458	R	97.9	Very high	94	Very high	135 Å²	135	47.4 Å²	47.4	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-41.2	173	-68.8	173.9	-163	123.7	6	111.8	E384 P454 Q461 I462	E384-R458 IonicContact OE2-CZ 2.81Å; E384-R458 IonicContact OE2-NH1 3.42Å; E384-R458 PolarHBondContact OE2-NH1 3.04Å; E384-R458 IonicContact OE2-NH2 2.67Å; P454-R458 WeakPolarHBondContact O-CG 3.19Å; P454-R458 PolarHBondContact O-N 2.74Å; R458-Q461 PolarHBondContact O-N 2.92Å; R458-I462 WeakPolarHBondContact O-CG1 3.41Å; R458-I462 PolarHBondContact O-N 3.35Å; R458-I462 VanDerWaalsContact O-N 3.07Å
459	Q	98.1	Very high	94.4	Very high	23 Å²	23	46 Å²	46	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-39.5	175.9	-75.8	170.5	70.8	0	0	112.5	A386 L389 W392 G455 F456 L457 I462 Y463	A386-Q459 PolarHBondContact O-NE2 3.42Å; L389-Q459 HydrophobicContact CB-CB 4.26Å; L389-Q459 HydrophobicContact CB-CG 4.3Å; L389-Q459 HydrophobicContact CD1-CB 4.47Å; W392-Q459 HydrophobicContact CH2-CB 3.66Å; W392-Q459 HydrophobicContact CZ3-CB 4.08Å; G455-Q459 WeakPolarHBondContact O-CG 3.28Å; G455-Q459 PolarHBondContact O-N 2.72Å; G455-Q459 PolarHBondContact O-NE2 3.18Å; G455-Q459 VanDerWaalsContact O-NE2 3.08Å; F456-Q459 PolarHBondContact O-N 3.12Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; L457-Q459 PolarHBondContact O-N 2.67Å; Q459-I462 PolarHBondContact O-N 3.14Å; Q459-Y463 WeakPolarHBondContact O-CB 3.48Å; Q459-Y463 PolarHBondContact O-N 2.8Å
460	L	98.2	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-40.4	175.5	-74.4	166.6	0	0	0	111.8	W392 A422 L425 A426 M429 L436 P452 F456 L457 Y463 Q464	W392-L460 HydrophobicContact CH2-CB 4.43Å; W392-L460 HydrophobicContact CH2-CD2 3.6Å; W392-L460 HydrophobicContact CH2-CG 3.68Å; W392-L460 HydrophobicContact CZ2-CD2 3.88Å; W392-L460 HydrophobicContact CZ2-CG 4.15Å; W392-L460 HydrophobicContact CZ3-CD2 4.03Å; W392-L460 HydrophobicContact CZ3-CG 4.39Å; A422-L460 HydrophobicContact CB-CD1 4.38Å; L425-L460 HydrophobicContact CB-CD1 4.07Å; L425-L460 HydrophobicContact CB-CD2 4.13Å; L425-L460 HydrophobicContact CD1-CD1 3.93Å; A426-L460 HydrophobicContact CB-CD2 3.78Å; M429-L460 HydrophobicContact SD-CD2 3.98Å; L436-L460 HydrophobicContact CD1-CB 3.8Å; L436-L460 HydrophobicContact CD1-CD1 3.86Å; L436-L460 HydrophobicContact CD1-CG 4.29Å; L436-L460 HydrophobicContact CD2-CB 3.85Å; L436-L460 HydrophobicContact CG-CB 4.46Å; P452-L460 HydrophobicContact CG-CD1 4.35Å; F456-L460 WeakPolarHBondContact O-CG 3.43Å; F456-L460 PolarHBondContact O-N 3.44Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L457-L460 PolarHBondContact O-N 3.36Å; L460-Y463 PolarHBondContact O-N 2.85Å; L460-Q464 PolarHBondContact O-N 3.43Å
461	Q	97.7	Very high	94.4	Very high	110 Å²	110	53.1 Å²	53.1	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-44.1	174	-69.2	168.8	-26.4	0	0	112	L436 L457 R458 Y463 Q464 G465	L436-Q461 HydrophobicContact CD2-CG 3.67Å; L457-Q461 WeakPolarHBondContact O-CG 3.37Å; L457-Q461 PolarHBondContact O-N 3.25Å; R458-Q461 PolarHBondContact O-N 2.92Å; Q461-Y463 VanDerWaalsContact C-N 3.31Å; Q461-Y463 PolarHBondContact O-N 2.83Å; Q461-Q464 WeakPolarHBondContact O-CB 3.49Å; Q461-Q464 PolarHBondContact O-N 3.34Å; Q461-G465 PolarHBondContact O-N 3.3Å; Q461-G465 VanDerWaalsContact O-N 3.17Å
462	I	97.4	Very high	93.6	Very high	99 Å²	99	52.7 Å²	52.7	51%	0.508	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-42.4	173.9	-65.9	162.5	0	0	0	110.6	L389 R458 Q459 G465 I466	L389-I462 HydrophobicContact CD1-CB 4.02Å; L389-I462 HydrophobicContact CD1-CG2 3.72Å; R458-I462 WeakPolarHBondContact O-CG1 3.41Å; R458-I462 PolarHBondContact O-N 3.35Å; R458-I462 VanDerWaalsContact O-N 3.07Å; Q459-I462 PolarHBondContact O-N 3.14Å; I462-G465 PolarHBondContact O-N 2.93Å; I462-I466 HydrophobicContact CG2-CD1 4.08Å; I462-I466 WeakPolarHBondContact O-CG1 3.15Å; I462-I466 PolarHBondContact O-N 2.85Å
463	Y	97.6	Very high	92.4	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-36.9	179.3	-171.4	-111.4	0	0	0	113.1	W392 A426 K430 Q459 L460 Q461 G465 I466 L467	W392-Y463 HydrophobicContact CB-CE2 4.21Å; W392-Y463 HydrophobicContact CE3-CD1 4.04Å; W392-Y463 AromaticContact CE3-CD2 3.83Å; W392-Y463 HydrophobicContact CE3-CD2 3.83Å; W392-Y463 HydrophobicContact CE3-CE1 4.47Å; W392-Y463 HydrophobicContact CE3-CE2 4.27Å; W392-Y463 AromaticContact CE3-CG 3.69Å; W392-Y463 HydrophobicContact CE3-CG 3.69Å; W392-Y463 HydrophobicContact CZ3-CD1 4.46Å; W392-Y463 HydrophobicContact CZ3-CD2 4.46Å; W392-Y463 HydrophobicContact CZ3-CG 4.01Å; A426-Y463 HydrophobicContact CB-CD1 4.15Å; A426-Y463 HydrophobicContact CB-CE1 3.93Å; A426-Y463 WeakPolarHBondContact O-CE1 3.49Å; K430-Y463 HydrophobicContact CB-CE1 4.38Å; K430-Y463 WeakPolarHBondContact CD-OH 3.46Å; Q459-Y463 WeakPolarHBondContact O-CB 3.48Å; Q459-Y463 PolarHBondContact O-N 2.8Å; L460-Y463 PolarHBondContact O-N 2.85Å; Q461-Y463 VanDerWaalsContact C-N 3.31Å; Q461-Y463 PolarHBondContact O-N 2.83Å; Y463-G465 VanDerWaalsContact C-N 3.32Å; Y463-G465 PolarHBondContact O-N 3.3Å; Y463-I466 PolarHBondContact O-N 3.18Å; Y463-L467 HydrophobicContact CD1-CD1 3.87Å; Y463-L467 HydrophobicContact CD1-CG 4.3Å; Y463-L467 HydrophobicContact CE1-CD1 3.72Å; Y463-L467 HydrophobicContact CE1-CD2 4.42Å; Y463-L467 HydrophobicContact CE1-CG 4.16Å; Y463-L467 WeakPolarHBondContact O-CG 3.18Å; Y463-L467 PolarHBondContact O-N 2.9Å
464	Q	96.8	Very high	90.9	Very high	46 Å²	46	59.1 Å²	59.1	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-45.5	170.3	-163.8	174.4	1.5	0	0	110.9	M429 E437 L460 Q461 I466 L467 T468	M429-Q464 HydrophobicContact CE-CB 3.57Å; M429-Q464 HydrophobicContact CE-CG 3.96Å; E437-Q464 PolarHBondContact OE2-NE2 3.34Å; L460-Q464 PolarHBondContact O-N 3.43Å; Q461-Q464 WeakPolarHBondContact O-CB 3.49Å; Q461-Q464 PolarHBondContact O-N 3.34Å; Q464-I466 PolarHBondContact O-N 3.49Å; Q464-L467 PolarHBondContact O-N 2.87Å; Q464-T468 PolarHBondContact O-N 3.38Å; Q464-T468 PolarHBondContact O-OG1 3.48Å; Q464-T468 VanDerWaalsContact O-OG1 3.11Å
465	G	95	Very high	89.3	Confident	43 Å²	43	60.7 Å²	60.7	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-42.8	174	0	0	0	0	0	113.4	Q461 I462 Y463 T468 A469	Q461-G465 PolarHBondContact O-N 3.3Å; Q461-G465 VanDerWaalsContact O-N 3.17Å; I462-G465 PolarHBondContact O-N 2.93Å; Y463-G465 VanDerWaalsContact C-N 3.32Å; Y463-G465 PolarHBondContact O-N 3.3Å; G465-T468 PolarHBondContact O-N 2.97Å; G465-A469 WeakPolarHBondContact O-CB 3.26Å; G465-A469 PolarHBondContact O-N 3.19Å
466	I	94.8	Very high	87	Confident	86 Å²	86	68.7 Å²	68.7	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.7	-66.9	166.7	0	0	0	111.1	L389 I462 Y463 Q464 S470	L389-I466 HydrophobicContact CD1-CD1 4.44Å; L389-I466 HydrophobicContact CD2-CD1 4.5Å; I462-I466 HydrophobicContact CG2-CD1 4.08Å; I462-I466 WeakPolarHBondContact O-CG1 3.15Å; I462-I466 PolarHBondContact O-N 2.85Å; Y463-I466 PolarHBondContact O-N 3.18Å; Q464-I466 PolarHBondContact O-N 3.49Å; I466-S470 WeakPolarHBondContact O-CB 3.03Å; I466-S470 PolarHBondContact O-N 3.31Å
467	L	93.8	Very high	84.8	Confident	27 Å²	27	74.5 Å²	74.5	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-63.3	-46.7	177.4	-69.9	174.1	0	0	0	111.5	M429 K430 Y463 Q464 A469 S470 R471	M429-L467 HydrophobicContact CB-CD1 4.05Å; K430-L467 HydrophobicContact CB-CD1 4.17Å; K430-L467 HydrophobicContact CB-CD2 4.11Å; K430-L467 HydrophobicContact CD-CD2 4.42Å; K430-L467 HydrophobicContact CG-CD2 4Å; Y463-L467 HydrophobicContact CD1-CD1 3.87Å; Y463-L467 HydrophobicContact CD1-CG 4.3Å; Y463-L467 HydrophobicContact CE1-CD1 3.72Å; Y463-L467 HydrophobicContact CE1-CD2 4.42Å; Y463-L467 HydrophobicContact CE1-CG 4.16Å; Y463-L467 WeakPolarHBondContact O-CG 3.18Å; Y463-L467 PolarHBondContact O-N 2.9Å; Q464-L467 PolarHBondContact O-N 2.87Å; L467-A469 PolarHBondContact O-N 3.03Å; L467-S470 PolarHBondContact O-N 3.13Å; L467-R471 PolarHBondContact O-N 3.3Å; L467-R471 VanDerWaalsContact O-N 3.12Å
468	T	91.5	Very high	82.6	Confident	64 Å²	64	79.3 Å²	79.3	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-45.4	177.8	-61.1	0	0	0	0	111.9	Q464 G465 S470 R471 Q472	Q464-T468 PolarHBondContact O-N 3.38Å; Q464-T468 PolarHBondContact O-OG1 3.48Å; Q464-T468 VanDerWaalsContact O-OG1 3.11Å; G465-T468 PolarHBondContact O-N 2.97Å; T468-S470 VanDerWaalsContact C-N 3.34Å; T468-S470 PolarHBondContact O-N 2.88Å; T468-R471 PolarHBondContact O-N 2.92Å; T468-Q472 PolarHBondContact O-N 2.87Å; T468-Q472 VanDerWaalsContact O-N 3.16Å
469	A	90.4	Very high	80.5	Confident	50 Å²	50	81 Å²	81	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-42.3	175.8	0	0	0	0	0	111.9	G465 L467 R471 Q472 S473	G465-A469 WeakPolarHBondContact O-CB 3.26Å; G465-A469 PolarHBondContact O-N 3.19Å; L467-A469 PolarHBondContact O-N 3.03Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3Å; A469-Q472 PolarHBondContact O-N 2.86Å; A469-S473 PolarHBondContact O-N 2.8Å; A469-S473 PolarHBondContact O-OG 3.08Å
470	S	86.7	Confident	78.3	Confident	62 Å²	62	85.9 Å²	85.9	43%	0.434	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-34.9	178.1	-164	0	0	0	0	113.2	I466 L467 T468 H474	I466-S470 WeakPolarHBondContact O-CB 3.03Å; I466-S470 PolarHBondContact O-N 3.31Å; L467-S470 PolarHBondContact O-N 3.13Å; T468-S470 VanDerWaalsContact C-N 3.34Å; T468-S470 PolarHBondContact O-N 2.88Å; S470-H474 PolarHBondContact O-CD2 3.11Å; S470-H474 PolarHBondContact O-N 2.94Å
471	R	82.4	Confident	75.8	Confident	91 Å²	91	89 Å²	89	34%	0.343	48%	0.475	S	S	.	.	H	α-helix	trans	-68.9	-43.8	174.2	-63.7	-174.8	-140.7	-178.8	12	111.4	E433 L467 T468 A469 S473 H474 V475	E433-R471 PolarHBondContact O-NH1 3.18Å; E433-R471 PolarHBondContact O-NH2 2.91Å; E433-R471 WeakPolarHBondContact OE2-CD 3.25Å; E433-R471 IonicContact OE2-CZ 2.66Å; E433-R471 IonicContact OE2-NE 2.79Å; E433-R471 PolarHBondContact OE2-NE 2.85Å; E433-R471 IonicContact OE2-NH1 3.25Å; E433-R471 PolarHBondContact OE2-NH1 3.12Å; L467-R471 PolarHBondContact O-N 3.3Å; L467-R471 VanDerWaalsContact O-N 3.12Å; T468-R471 PolarHBondContact O-N 2.92Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3Å; R471-S473 VanDerWaalsContact C-N 3.34Å; R471-S473 PolarHBondContact O-N 2.78Å; R471-H474 PolarHBondContact O-N 3.44Å; R471-V475 WeakPolarHBondContact O-CG2 3.48Å; R471-V475 PolarHBondContact O-N 2.82Å; R471-V475 VanDerWaalsContact O-N 3.17Å
472	Q	74.6	Confident	72.9	Confident	106 Å²	106	86.2 Å²	86.2	50%	0.495	48%	0.477	S	S	.	.	H	α-helix	trans	-62.8	-38.4	178.2	-69.1	178.6	-0.5	0	0	112.5	T468 A469 V475 W476	T468-Q472 PolarHBondContact O-N 2.87Å; T468-Q472 VanDerWaalsContact O-N 3.16Å; A469-Q472 PolarHBondContact O-N 2.86Å; Q472-V475 PolarHBondContact O-N 2.87Å; Q472-W476 HydrophobicContact CB-CE3 4.42Å; Q472-W476 HydrophobicContact CB-CZ3 4.31Å; Q472-W476 PolarHBondContact O-N 2.88Å
473	S	69.4	Low	70.1	Confident	58 Å²	58	88.1 Å²	88.1	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-57.7	-48.9	174	-64.2	0	0	0	0	112.4	A469 R471 V475 W476 E477	A469-S473 PolarHBondContact O-N 2.8Å; A469-S473 PolarHBondContact O-OG 3.08Å; R471-S473 VanDerWaalsContact C-N 3.34Å; R471-S473 PolarHBondContact O-N 2.78Å; S473-V475 VanDerWaalsContact C-N 3.32Å; S473-V475 PolarHBondContact O-N 3.31Å; S473-W476 PolarHBondContact O-N 2.95Å; S473-W476 VanDerWaalsContact O-N 3.13Å; S473-E477 WeakPolarHBondContact O-CG 3.18Å; S473-E477 PolarHBondContact O-N 2.79Å
474	H	60.1	Low	67.2	Low	102 Å²	102	92.5 Å²	92.5	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-33.4	179.2	-69.5	-37.8	0	0	0	113.2	S470 R471 E477 Q478	S470-H474 PolarHBondContact O-CD2 3.11Å; S470-H474 PolarHBondContact O-N 2.94Å; R471-H474 PolarHBondContact O-N 3.44Å; H474-E477 IonicContact CE1-OE2 2.74Å; H474-E477 IonicContact CG-OE2 3.62Å; H474-E477 IonicContact ND1-OE2 3.1Å; H474-E477 PolarHBondContact ND1-OE2 2.77Å; H474-E477 PolarHBondContact O-N 2.87Å; H474-Q478 WeakPolarHBondContact O-CG 3.43Å; H474-Q478 PolarHBondContact O-N 3.5Å
475	V	61.4	Low	64.5	Low	93 Å²	93	96.3 Å²	96.3	56%	0.564	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-40	172.3	173.6	0	0	0	0	111.2	R471 Q472 S473 K479	R471-V475 WeakPolarHBondContact O-CG2 3.48Å; R471-V475 PolarHBondContact O-N 2.82Å; R471-V475 VanDerWaalsContact O-N 3.17Å; Q472-V475 PolarHBondContact O-N 2.87Å; S473-V475 VanDerWaalsContact C-N 3.32Å; S473-V475 PolarHBondContact O-N 3.31Å; V475-K479 WeakPolarHBondContact O-CB 3.43Å; V475-K479 PolarHBondContact O-N 2.86Å; V475-K479 VanDerWaalsContact O-N 3.15Å
476	W	47.6	Very low	61.5	Low	173 Å²	173	102 Å²	102	66%	0.655	57%	0.57	S	S	*	*	H	α-helix	trans	-67.5	-43.5	173.7	-93.6	-52	0	0	0	112.9	Q472 S473 Q478 K479 V480	Q472-W476 HydrophobicContact CB-CE3 4.42Å; Q472-W476 HydrophobicContact CB-CZ3 4.31Å; Q472-W476 PolarHBondContact O-N 2.88Å; S473-W476 PolarHBondContact O-N 2.95Å; S473-W476 VanDerWaalsContact O-N 3.13Å; W476-Q478 PolarHBondContact O-N 2.78Å; W476-K479 CarbonylContact O-C 3.59Å; W476-K479 PolarHBondContact O-N 3.19Å; W476-K479 VanDerWaalsContact O-N 3.1Å; W476-V480 WeakPolarHBondContact O-CG2 3.28Å; W476-V480 PolarHBondContact O-N 3.38Å
477	E	51.1	Low	58.7	Low	121 Å²	121	106.6 Å²	106.6	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-58.3	-46.5	177.9	-72.7	170.5	156.8	0	0	111.6	S473 H474 K479 V480 G481	S473-E477 WeakPolarHBondContact O-CG 3.18Å; S473-E477 PolarHBondContact O-N 2.79Å; H474-E477 IonicContact CE1-OE2 2.74Å; H474-E477 IonicContact CG-OE2 3.62Å; H474-E477 IonicContact ND1-OE2 3.1Å; H474-E477 PolarHBondContact ND1-OE2 2.77Å; H474-E477 PolarHBondContact O-N 2.87Å; E477-K479 VanDerWaalsContact C-N 3.31Å; E477-K479 PolarHBondContact O-N 2.69Å; E477-V480 PolarHBondContact O-N 3.43Å; E477-G481 PolarHBondContact O-N 2.79Å
478	Q	52.8	Low	55.6	Low	155 Å²	155	115.6 Å²	115.6	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-62.1	-37.5	174.8	-70.2	176	30.7	0	0	112.3	H474 W476	H474-Q478 WeakPolarHBondContact O-CG 3.43Å; H474-Q478 PolarHBondContact O-N 3.5Å; W476-Q478 PolarHBondContact O-N 2.78Å
479	K	52.4	Low	53.2	Low	172 Å²	172	118.5 Å²	118.5	75%	0.748	64%	0.641	S	S	*	*	H	α-helix	trans	-76.5	-20.9	-179.1	-156.8	169.3	-169.8	174.1	0	113.8	V475 W476 E477	V475-K479 WeakPolarHBondContact O-CB 3.43Å; V475-K479 PolarHBondContact O-N 2.86Å; V475-K479 VanDerWaalsContact O-N 3.15Å; W476-K479 CarbonylContact O-C 3.59Å; W476-K479 PolarHBondContact O-N 3.19Å; W476-K479 VanDerWaalsContact O-N 3.1Å; E477-K479 VanDerWaalsContact C-N 3.31Å; E477-K479 PolarHBondContact O-N 2.69Å
480	V	52.7	Low	50.5	Low	125 Å²	125	120.5 Å²	120.5	76%	0.758	66%	0.658	S	S	*	*	H	α-helix	trans	-89.5	-25.7	174.2	173.3	0	0	0	0	112	W476 E477 G482	W476-V480 WeakPolarHBondContact O-CG2 3.28Å; W476-V480 PolarHBondContact O-N 3.38Å; E477-V480 PolarHBondContact O-N 3.43Å; V480-G482 VanDerWaalsContact C-N 3.32Å; V480-G482 PolarHBondContact O-N 3.04Å
481	G	44.6	Very low	48.2	Very low	64 Å²	64	123.6 Å²	123.6	66%	0.66	68%	0.677	S	S	*	*	S	Bend	trans	-75.2	-12.8	174	0	0	0	0	0	115.4	E477 V483	E477-G481 PolarHBondContact O-N 2.79Å; G481-V483 PolarHBondContact O-N 3.36Å
482	G	37.8	Very low	45.6	Very low	53 Å²	53	128.1 Å²	128.1	55%	0.546	70%	0.702	S	S	.	*			trans	-83.9	104.8	-178.2	0	0	0	0	0	113.6	V480 S484	V480-G482 VanDerWaalsContact C-N 3.32Å; V480-G482 PolarHBondContact O-N 3.04Å; G482-S484 PolarHBondContact O-N 2.87Å
483	V	38.8	Very low	43.6	Very low	139 Å²	139	129 Å²	129	84%	0.842	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-76.4	118.6	170.8	-179.4	0	0	0	0	110	G481	G481-V483 PolarHBondContact O-N 3.36Å
484	S	36.5	Very low	41.6	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-71.5	139.5	179.6	-55	0	0	0	0	114	G482	G482-S484 PolarHBondContact O-N 2.87Å
485	P	39.3	Very low	40.2	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-91.4	156.9	150.3	-5.1	25.5	0	0	0	111.8
486	E	32.8	Very low	39.2	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-59.2	152.8	-170.6	-70.9	170.3	77.8	0	0	117.6	R488	E486-R488 IonicContact OE1-NH2 3.2Å; E486-R488 PolarHBondContact OE1-NH2 2.93Å
487	E	35.4	Very low	38.3	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-69.3	151.3	158.1	-60.7	175.8	103.3	0	0	112.3
488	R	29.7	Very low	38.5	Very low	216 Å²	216	134.9 Å²	134.9	82%	0.815	78%	0.775	S	S	*	*			trans	-166.5	162.2	143.4	-104.4	157.6	-133	-132.6	13.8	111	E486	E486-R488 IonicContact OE1-NH2 3.2Å; E486-R488 PolarHBondContact OE1-NH2 2.93Å
489	P	40.5	Very low	38	Very low	124 Å²	124	133 Å²	133	81%	0.805	78%	0.777	S	S	*	*			trans	-110.4	178.4	-139	41.3	-37.8	0	0	0	116.5
490	A	34	Very low	36.9	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	78%	0.781	S	S	*	*			trans	-84.8	166.2	-178.9	0	0	0	0	0	114.8
491	P	37.8	Very low	36.9	Very low	127 Å²	127	132 Å²	132	83%	0.825	78%	0.78	S	S	*	*			trans	-106.8	162.8	161	38	-29.7	0	0	0	113.4
492	E	29.1	Very low	36.8	Very low	185 Å²	185	134.4 Å²	134.4	86%	0.864	79%	0.785	S	S	*	*			trans	-107.2	-178.2	-174.8	-54	174.8	128.6	0	0	113.7
493	V	31.4	Very low	36.7	Very low	124 Å²	124	139.6 Å²	139.6	75%	0.752	80%	0.795	S	S	*	*				138.3	125.7	127.3	175.4	0	0	0	0	116.9
494	S	28.3	Very low	37.1	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	79%	0.792	S	S	*	*			trans	81.8	136.4	151.9	-74.8	0	0	0	0	125.2
495	T	30.7	Very low	36.6	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	79%	0.788	S	S	*	*			trans	-114.9	178.2	158.3	63.5	0	0	0	0	109
496	P	40	Very low	36.1	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	79%	0.79	S	S	*	*				-155	-178.5	77.4	39.6	-17	0	0	0	118
497	F	29.3	Very low	35.8	Very low	196 Å²	196	131.1 Å²	131.1	86%	0.86	80%	0.797	S	S	*	*			trans	-76.3	-174.6	169.6	-100.3	-113.4	0	0	0	112.9
498	P	55.1	Low	35.5	Very low	110 Å²	110	126.1 Å²	126.1	71%	0.714	80%	0.795	S	S	*	*			cis	-130.9	-153.4	14.8	42.8	-21.3	0	0	0	113
499	P	42	Very low	35.4	Very low	117 Å²	117	124.7 Å²	124.7	76%	0.76	80%	0.798	S	S	*	*			cis	-136.6	-141.9	0.6	44.8	-22.6	0	0	0	116.1
500	L	30	Very low	34.9	Very low	161 Å²	161	127.2 Å²	127.2	84%	0.843	80%	0.799	S	S	*	*			trans	-159.7	179.1	-165.5	-87.3	172.1	0	0	0	111.2
501	P	52.8	Low	34.6	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	80%	0.804	S	S	*	*			cis	-116	-107.7	-21.3	30.6	-7.9	0	0	0	110
502	P	42.3	Very low	34.2	Very low	116 Å²	116	132.7 Å²	132.7	75%	0.753	80%	0.803	S	S	*	*			cis	-123.6	174.6	-3.7	44.2	-28.5	0	0	0	117.2
503	E	34.3	Very low	34.2	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.752	80%	0.804	S	S	*	*			trans	-74.8	165.6	164.9	-87.8	-69.5	136.6	0	0	112.1	G505	E503-G505 PolarHBondContact OE2-N 3.11Å; E503-G505 VanDerWaalsContact OE2-N 3.11Å
504	P	47	Very low	33.9	Very low	122 Å²	122	128.3 Å²	128.3	79%	0.792	80%	0.803	S	S	*	*			cis	-149.9	147.1	46.9	40.6	-18.7	0	0	0	121.3
505	G	26.2	Very low	34	Very low	68 Å²	68	131 Å²	131	70%	0.701	81%	0.805	S	S	*	*				74.1	147.7	116.4	0	0	0	0	0	122.3	E503	E503-G505 PolarHBondContact OE2-N 3.11Å; E503-G505 VanDerWaalsContact OE2-N 3.11Å
506	G	28.8	Very low	33.8	Very low	83 Å²	83	134.3 Å²	134.3	86%	0.856	81%	0.812	S	S	*	*			trans	151.5	113.9	170.6	0	0	0	0	0	112.5
507	G	27	Very low	33.1	Very low	89 Å²	89	136.9 Å²	136.9	92%	0.918	81%	0.813	S	S	*	*			trans	-95.8	164.6	176.5	0	0	0	0	0	113.2
508	G	29.1	Very low	33.1	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	81%	0.813	S	S	*	*			trans	-175.5	136.2	173.9	0	0	0	0	0	111.4
509	E	28.5	Very low	31.8	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	82%	0.822	S	S	*	*			trans	-96.9	161	-171.1	-69.6	160.9	112.3	0	0	113.6
510	E	29.1	Very low	31	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	83%	0.826	S	S	*	*			trans	15.5	135.2	154.4	-57	-171.2	154.7	0	0	121.4
511	K	27.1	Very low	30.9	Very low	204 Å²	204	133 Å²	133	89%	0.887	82%	0.818	S	S	*	*				-159.2	161.4	107.6	-117.4	172.9	-176.3	173.3	0	116.5
512	V	31.1	Very low	29.9	Very low	131 Å²	131	133.7 Å²	133.7	79%	0.794	82%	0.823	S	S	*	*			trans	-115.3	172.6	178.5	175.9	0	0	0	0	109
513	V	28.4	Very low	29.2	Very low	145 Å²	145	137.9 Å²	137.9	88%	0.879	83%	0.829	S	S	*	*			trans	90	132	177.7	-171.4	0	0	0	0	113.1
514	G	25.4	Very low	28.9	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	84%	0.835	S	S	*	*			cis	-169.3	-167.1	3.2	0	0	0	0	0	114.6
515	M	29.5	Very low	28.1	Very low	170 Å²	170	142.3 Å²	142.3	84%	0.837	84%	0.839	S	S	*	*			trans	-77.5	152.2	-178.3	-63.9	156	57.4	0	0	113
516	E	26.6	Very low	28.3	Very low	200 Å²	200	145.2 Å²	145.2	94%	0.935	85%	0.846	S	S	*	*			trans	-134	149.6	141	-77.4	-159.8	109.9	0	0	109.9
517	E	26.1	Very low	28.3	Very low	176 Å²	176	144 Å²	144	82%	0.822	83%	0.833	S	S	*	*			trans	-86.8	170.3	179.7	-66.1	173.4	95.5	0	0	111.8
518	S	27.8	Very low	28.8	Very low	122 Å²	122	146 Å²	146	85%	0.853	83%	0.83	S	S	*	*			trans	-139.5	137.9	165.1	-77.2	0	0	0	0	110.3
519	Q	28.5	Very low	29.7	Very low	196 Å²	196	148.1 Å²	148.1	92%	0.916	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.3	150.5	-152.2	-65.6	172.9	-8.3	0	0	113.7
520	A	26.1	Very low	30.9	Very low	102 Å²	102	145 Å²	145	84%	0.843	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.4	137.7	-179.3	0	0	0	0	0	112.8
521	A	28.4	Very low	32.6	Very low	81 Å²	81	141.6 Å²	141.6	67%	0.669	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.4	151.5	161.7	0	0	0	0	0	110.5	K523	A521-K523 PolarHBondContact O-N 2.79Å
522	P	30.7	Very low	35	Very low	129 Å²	129	133.6 Å²	133.6	84%	0.838	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.7	179.4	27	-34.4	0	0	0	110.9
523	K	27.4	Very low	37.4	Very low	204 Å²	204	129.1 Å²	129.1	89%	0.887	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-78.5	127.3	169.7	-70.1	179.8	175.6	179.9	0	109.1	A521	A521-K523 PolarHBondContact O-N 2.79Å
524	E	29.1	Very low	39.7	Very low	187 Å²	187	122.5 Å²	122.5	87%	0.874	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.3	159.4	-62.6	-177.1	135.1	0	0	108.9
525	E	28.5	Very low	41.9	Very low	188 Å²	188	122.5 Å²	122.5	88%	0.879	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-68.6	130.8	176.5	-67.3	-169.3	145.5	0	0	110.2	G527	E525-G527 PolarHBondContact O-N 2.77Å
526	P	32.2	Very low	43.5	Very low	130 Å²	130	116.1 Å²	116.1	84%	0.844	64%	0.642	S	S	*	*			trans	-70.1	104.4	173.9	28.9	-32.6	0	0	0	109.3
527	G	28.7	Very low	45.4	Very low	57 Å²	57	106.6 Å²	106.6	59%	0.588	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-58.1	167	171	0	0	0	0	0	112.7	E525 R529	E525-G527 PolarHBondContact O-N 2.77Å; G527-R529 PolarHBondContact O-N 2.95Å
528	P	37.6	Very low	47.5	Very low	131 Å²	131	99.2 Å²	99.2	85%	0.851	56%	0.564	S	S	*	*	S	Bend	trans	-54.8	140.2	-179.9	24.5	-34.6	0	0	0	111.3
529	R	46.4	Very low	49	Very low	122 Å²	122	102.1 Å²	102.1	46%	0.46	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-50.8	127.6	-174.1	-68.1	-177.7	177.8	-176.4	-2.2	110.8	Q268 G527 R531	Q268-R529 VanDerWaalsContact NE2-NH2 3.16Å; G527-R529 PolarHBondContact O-N 2.95Å; R529-R531 PolarHBondContact O-N 3.27Å
530	P	54.5	Low	50.5	Low	121 Å²	121	95.1 Å²	95.1	79%	0.786	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67.1	133.9	178.5	27.3	-33.7	0	0	0	110.1	I532	P530-I532 PolarHBondContact O-N 3.43Å
531	R	65.6	Low	52.1	Low	107 Å²	107	90.6 Å²	90.6	40%	0.404	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.7	176.8	-67.7	-174.5	65.5	-159.9	-6.4	110.5	Y174 L175 S182 R529 N533	Y174-R531 HydrophobicContact CD1-CB 3.75Å; Y174-R531 WeakPolarHBondContact CD1-O 3.23Å; Y174-R531 HydrophobicContact CE1-CB 4.36Å; Y174-R531 HydrophobicContact CG-CB 4.42Å; L175-R531 PolarHBondContact O-NE 3.3Å; L175-R531 PolarHBondContact O-NH2 3.31Å; S182-R531 PolarHBondContact OG-NH1 3.05Å; S182-R531 PolarHBondContact OG-NH2 3.06Å; R529-R531 PolarHBondContact O-N 3.27Å; R531-N533 PolarHBondContact O-N 2.82Å; R531-N533 VanDerWaalsContact O-N 3.08Å
532	I	77.3	Confident	53.2	Low	35 Å²	35	89.3 Å²	89.3	18%	0.179	48%	0.476	C	S	.	.			trans	-67.1	110.6	-177	-64.8	149.4	0	0	0	109.8	Y174 L175 D313 N317 P530 V537	Y174-I532 CarbonylContact C-O 3.58Å; Y174-I532 VanDerWaalsContact CA-O 3.28Å; Y174-I532 WeakPolarHBondContact CA-O 3.48Å; L175-I532 HydrophobicContact CB-CB 4.36Å; L175-I532 HydrophobicContact CD1-CB 4.14Å; L175-I532 HydrophobicContact CD1-CD1 4.4Å; L175-I532 HydrophobicContact CD1-CG2 3.69Å; L175-I532 HydrophobicContact CG-CB 4.29Å; L175-I532 HydrophobicContact CG-CG2 4.07Å; L175-I532 PolarHBondContact N-O 3.32Å; D313-I532 VanDerWaalsContact C-CD1 3.47Å; D313-I532 HydrophobicContact CB-CD1 3.56Å; D313-I532 WeakPolarHBondContact O-CD1 3.24Å; N317-I532 HydrophobicContact CB-CD1 3.93Å; P530-I532 PolarHBondContact O-N 3.43Å; I532-V537 HydrophobicContact CG2-CG2 3.31Å
533	N	81	Confident	54.2	Low	38 Å²	38	90.2 Å²	90.2	20%	0.203	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-81.1	136.9	176.3	-173.8	-78.6	0	0	0	110.6	V173 Y174 R531 R535 G536 V537	V173-N533 WeakPolarHBondContact O-CA 3.45Å; Y174-N533 HydrophobicContact CD1-CB 3.94Å; Y174-N533 HydrophobicContact CE1-CB 3.71Å; R531-N533 PolarHBondContact O-N 2.82Å; R531-N533 VanDerWaalsContact O-N 3.08Å; N533-R535 VanDerWaalsContact C-N 3.27Å; N533-R535 PolarHBondContact O-N 2.86Å; N533-R535 WeakPolarHBondContact OD1-CB 3.12Å; N533-R535 PolarHBondContact OD1-N 2.68Å; N533-G536 VanDerWaalsContact O-CA 3.28Å; N533-G536 WeakPolarHBondContact O-CA 3.46Å; N533-G536 PolarHBondContact O-N 3.19Å; N533-V537 PolarHBondContact O-N 3.4Å; N533-V537 VanDerWaalsContact O-N 3.09Å
534	L	76.4	Confident	55.2	Low	5 Å²	5	84.7 Å²	84.7	3%	0.026	45%	0.453	C	S	.	.	H	α-helix	trans	-54.8	-38.2	-179.9	176.9	58	0	0	0	113.1	V173 L204 L207 H208 G536 V537 M538	V173-L534 HydrophobicContact CB-CB 3.79Å; V173-L534 HydrophobicContact CB-CD2 3.76Å; V173-L534 HydrophobicContact CB-CG 4.44Å; V173-L534 HydrophobicContact CG1-CB 4.17Å; V173-L534 HydrophobicContact CG1-CD2 3.94Å; V173-L534 HydrophobicContact CG2-CD2 4.1Å; V173-L534 PolarHBondContact O-N 2.79Å; L204-L534 HydrophobicContact CB-CD1 3.89Å; L204-L534 HydrophobicContact CD2-CD1 4.1Å; L204-L534 HydrophobicContact CD2-CD2 4.09Å; L204-L534 HydrophobicContact CG-CD1 4.39Å; L207-L534 HydrophobicContact CB-CD2 4.47Å; H208-L534 HydrophobicContact CB-CD2 4.16Å; L534-G536 PolarHBondContact O-N 3.2Å; L534-V537 PolarHBondContact O-N 3.48Å; L534-M538 HydrophobicContact CD1-CE 3.77Å; L534-M538 HydrophobicContact CD1-CG 3.88Å; L534-M538 HydrophobicContact CG-CG 4.27Å; L534-M538 WeakPolarHBondContact O-CB 3.35Å; L534-M538 VanDerWaalsContact O-CG 3.31Å; L534-M538 WeakPolarHBondContact O-CG 3.44Å; L534-M538 PolarHBondContact O-N 2.97Å
535	R	71.5	Confident	55.8	Low	72 Å²	72	80.2 Å²	80.2	27%	0.272	43%	0.432	S	S	.	.	H	α-helix	trans	-68.3	-26.3	176.4	-52.3	-166.1	-157.2	-175.6	8.7	112	T171 E212 N533 R539	T171-R535 PolarHBondContact O-NH2 3.39Å; T171-R535 VanDerWaalsContact O-NH2 3.12Å; E212-R535 IonicContact OE1-NE 3.24Å; E212-R535 IonicContact OE1-NH1 3.94Å; N533-R535 VanDerWaalsContact C-N 3.27Å; N533-R535 PolarHBondContact O-N 2.86Å; N533-R535 WeakPolarHBondContact OD1-CB 3.12Å; N533-R535 PolarHBondContact OD1-N 2.68Å; R535-R539 VanDerWaalsContact O-CB 3.27Å; R535-R539 WeakPolarHBondContact O-CB 3.45Å; R535-R539 WeakPolarHBondContact O-CG 3.49Å; R535-R539 PolarHBondContact O-N 3.12Å
536	G	62.8	Low	56.1	Low	35 Å²	35	76 Å²	76	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-49	168.6	0	0	0	0	0	111.6	N533 L534 M538 R539 S540	N533-G536 VanDerWaalsContact O-CA 3.28Å; N533-G536 WeakPolarHBondContact O-CA 3.46Å; N533-G536 PolarHBondContact O-N 3.19Å; L534-G536 PolarHBondContact O-N 3.2Å; G536-M538 PolarHBondContact O-N 2.73Å; G536-R539 PolarHBondContact O-N 3.07Å; G536-S540 PolarHBondContact O-N 3.33Å; G536-S540 PolarHBondContact O-OG 2.68Å
537	V	66.8	Low	55.9	Low	1 Å²	1	75 Å²	75	1%	0.006	42%	0.417	C	S	.	.	H	α-helix	trans	-58.7	-48.5	175.9	-169	0	0	0	0	110.9	L175 L320 I532 N533 L534 R539 S540 I541	L175-V537 HydrophobicContact CD1-CG2 4.24Å; L320-V537 HydrophobicContact CB-CG1 4.26Å; L320-V537 HydrophobicContact CD1-CG1 4.45Å; I532-V537 HydrophobicContact CG2-CG2 3.31Å; N533-V537 PolarHBondContact O-N 3.4Å; N533-V537 VanDerWaalsContact O-N 3.09Å; L534-V537 PolarHBondContact O-N 3.48Å; V537-R539 PolarHBondContact O-N 2.81Å; V537-S540 CarbonylContact O-C 3.55Å; V537-S540 WeakPolarHBondContact O-CB 3.29Å; V537-S540 PolarHBondContact O-N 2.9Å; V537-S540 VanDerWaalsContact O-N 3.1Å; V537-I541 HydrophobicContact CG1-CD1 3.88Å; V537-I541 WeakPolarHBondContact O-CD1 3.42Å; V537-I541 VanDerWaalsContact O-CG1 3.3Å; V537-I541 WeakPolarHBondContact O-CG1 3.24Å; V537-I541 PolarHBondContact O-N 3.14Å
538	M	69.8	Low	56	Low	20 Å²	20	80 Å²	80	10%	0.099	43%	0.429	C	S	.	.	H	α-helix	trans	-66.5	-35.8	-179.5	-67.5	-70.9	179.3	0	0	112.2	W201 Q205 H208 L534 G536 I541 S542	W201-M538 HydrophobicContact CH2-CE 4.35Å; W201-M538 HydrophobicContact CZ3-CE 3.78Å; W201-M538 HydrophobicContact CZ3-SD 4.39Å; Q205-M538 HydrophobicContact CG-CE 4.47Å; H208-M538 HydrophobicContact CB-CE 4.17Å; H208-M538 HydrophobicContact CB-CG 4.26Å; H208-M538 WeakPolarHBondContact CD2-CG 3.47Å; L534-M538 HydrophobicContact CD1-CE 3.77Å; L534-M538 HydrophobicContact CD1-CG 3.88Å; L534-M538 HydrophobicContact CG-CG 4.27Å; L534-M538 WeakPolarHBondContact O-CB 3.35Å; L534-M538 VanDerWaalsContact O-CG 3.31Å; L534-M538 WeakPolarHBondContact O-CG 3.44Å; L534-M538 PolarHBondContact O-N 2.97Å; G536-M538 PolarHBondContact O-N 2.73Å; M538-I541 PolarHBondContact O-N 2.74Å; M538-I541 HydrophobicContact SD-CD1 3.93Å; M538-S542 PolarHBondContact O-N 3.48Å
539	R	60.6	Low	55.8	Low	183 Å²	183	81.3 Å²	81.3	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-63.3	-42.4	167.9	-79	173.2	-176.4	-177.4	1.6	112.3	R535 G536 V537 I541 S542 L543	R535-R539 VanDerWaalsContact O-CB 3.27Å; R535-R539 WeakPolarHBondContact O-CB 3.45Å; R535-R539 WeakPolarHBondContact O-CG 3.49Å; R535-R539 PolarHBondContact O-N 3.12Å; G536-R539 PolarHBondContact O-N 3.07Å; V537-R539 PolarHBondContact O-N 2.81Å; R539-I541 VanDerWaalsContact C-N 3.3Å; R539-I541 PolarHBondContact O-N 3.42Å; R539-S542 CarbonylContact O-C 3.49Å; R539-S542 PolarHBondContact O-N 3.46Å; R539-S542 VanDerWaalsContact O-N 3.15Å; R539-L543 WeakPolarHBondContact O-CB 3.49Å; R539-L543 VanDerWaalsContact O-CG 3.31Å; R539-L543 WeakPolarHBondContact O-CG 3.42Å; R539-L543 PolarHBondContact O-N 2.83Å
540	S	58.3	Low	55.2	Low	50 Å²	50	83.9 Å²	83.9	35%	0.35	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-36.8	174.9	-62.7	0	0	0	0	112.1	G536 V537 S542 L543 L544	G536-S540 PolarHBondContact O-N 3.33Å; G536-S540 PolarHBondContact O-OG 2.68Å; V537-S540 CarbonylContact O-C 3.55Å; V537-S540 WeakPolarHBondContact O-CB 3.29Å; V537-S540 PolarHBondContact O-N 2.9Å; V537-S540 VanDerWaalsContact O-N 3.1Å; S540-S542 VanDerWaalsContact C-N 3.34Å; S540-L543 PolarHBondContact O-N 3.2Å; S540-L544 WeakPolarHBondContact O-CG 3.33Å; S540-L544 PolarHBondContact O-N 2.93Å
541	I	59.6	Low	54.2	Low	6 Å²	6	86 Å²	86	3%	0.031	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-36.5	172.7	-66.9	159	0	0	0	111.3	W201 L321 A324 R328 V537 M538 R539 L544	W201-I541 HydrophobicContact CH2-CD1 3.72Å; W201-I541 HydrophobicContact CZ3-CD1 3.64Å; L321-I541 HydrophobicContact CD2-CG1 3.78Å; A324-I541 HydrophobicContact CB-CD1 3.88Å; A324-I541 HydrophobicContact CB-CG1 3.77Å; A324-I541 HydrophobicContact CB-CG2 3.94Å; R328-I541 PolarHBondContact NH1-O 3.26Å; V537-I541 HydrophobicContact CG1-CD1 3.88Å; V537-I541 WeakPolarHBondContact O-CD1 3.42Å; V537-I541 VanDerWaalsContact O-CG1 3.3Å; V537-I541 WeakPolarHBondContact O-CG1 3.24Å; V537-I541 PolarHBondContact O-N 3.14Å; M538-I541 PolarHBondContact O-N 2.74Å; M538-I541 HydrophobicContact SD-CD1 3.93Å; R539-I541 VanDerWaalsContact C-N 3.3Å; R539-I541 PolarHBondContact O-N 3.42Å; I541-L544 WeakPolarHBondContact O-CB 3.44Å; I541-L544 PolarHBondContact O-N 3.44Å
542	S	51.8	Low	52.4	Low	54 Å²	54	86.1 Å²	86.1	38%	0.378	46%	0.463	S	S	.	.	H	α-helix	trans	-78.8	-22.1	173.3	-78.2	0	0	0	0	114.6	M538 R539 S540 L544 E545	M538-S542 PolarHBondContact O-N 3.48Å; R539-S542 CarbonylContact O-C 3.49Å; R539-S542 PolarHBondContact O-N 3.46Å; R539-S542 VanDerWaalsContact O-N 3.15Å; S540-S542 VanDerWaalsContact C-N 3.34Å; S542-L544 PolarHBondContact O-N 3Å; S542-E545 VanDerWaalsContact CA-OE1 3.27Å; S542-E545 WeakPolarHBondContact CA-OE1 3.47Å; S542-E545 VanDerWaalsContact CB-OE1 3.32Å; S542-E545 WeakPolarHBondContact CB-OE1 3.13Å; S542-E545 WeakPolarHBondContact O-CB 3.31Å; S542-E545 VanDerWaalsContact O-CG 3.27Å; S542-E545 WeakPolarHBondContact O-CG 3.46Å; S542-E545 PolarHBondContact O-N 3.33Å; S542-E545 PolarHBondContact OG-OE1 3.17Å
543	L	52.3	Low	50.2	Low	149 Å²	149	91.6 Å²	91.6	78%	0.78	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.9	170.1	-69.9	169.5	0	0	0	112.7	R539 S540 E545	R539-L543 WeakPolarHBondContact O-CB 3.49Å; R539-L543 VanDerWaalsContact O-CG 3.31Å; R539-L543 WeakPolarHBondContact O-CG 3.42Å; R539-L543 PolarHBondContact O-N 2.83Å; S540-L543 PolarHBondContact O-N 3.2Å; L543-E545 VanDerWaalsContact C-N 3.26Å
544	L	47.5	Very low	47.9	Very low	87 Å²	87	94.5 Å²	94.5	46%	0.455	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.3	160.5	-64.2	169.2	0	0	0	112.5	L321 Q325 S540 I541 S542 P546	L321-L544 HydrophobicContact CD2-CD1 4.09Å; Q325-L544 HydrophobicContact CG-CD1 3.99Å; S540-L544 WeakPolarHBondContact O-CG 3.33Å; S540-L544 PolarHBondContact O-N 2.93Å; I541-L544 WeakPolarHBondContact O-CB 3.44Å; I541-L544 PolarHBondContact O-N 3.44Å; S542-L544 PolarHBondContact O-N 3Å; L544-P546 WeakPolarHBondContact O-CD 3.33Å
545	E	42.9	Very low	46.1	Very low	93 Å²	93	102.7 Å²	102.7	44%	0.435	56%	0.56	S	S	.	*	S	Bend	trans	-81.7	122.2	168.7	-59.9	165.4	-156.5	0	0	108.4	R328 S542 L543 S547	R328-E545 IonicContact CZ-OE1 3.41Å; R328-E545 VanDerWaalsContact CZ-OE1 3.25Å; R328-E545 IonicContact NH1-OE1 3.91Å; R328-E545 PolarHBondContact NH1-OE1 3.17Å; R328-E545 IonicContact NH2-OE1 3.83Å; R328-E545 PolarHBondContact NH2-OE1 2.84Å; S542-E545 VanDerWaalsContact CA-OE1 3.27Å; S542-E545 WeakPolarHBondContact CA-OE1 3.47Å; S542-E545 VanDerWaalsContact CB-OE1 3.32Å; S542-E545 WeakPolarHBondContact CB-OE1 3.13Å; S542-E545 WeakPolarHBondContact O-CB 3.31Å; S542-E545 VanDerWaalsContact O-CG 3.27Å; S542-E545 WeakPolarHBondContact O-CG 3.46Å; S542-E545 PolarHBondContact O-N 3.33Å; S542-E545 PolarHBondContact OG-OE1 3.17Å; L543-E545 VanDerWaalsContact C-N 3.26Å; E545-S547 PolarHBondContact O-N 3.32Å
546	P	34.6	Very low	44.3	Very low	101 Å²	101	102.4 Å²	102.4	66%	0.656	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.2	164.8	-19.6	32.3	0	0	0	108.5	L544 L548	L544-P546 WeakPolarHBondContact O-CD 3.33Å; P546-L548 PolarHBondContact O-N 3.36Å
547	S	27.4	Very low	43.3	Very low	107 Å²	107	106.7 Å²	106.7	75%	0.748	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-46.5	126.4	179.1	-62.9	0	0	0	0	111	E545 E549	E545-S547 PolarHBondContact O-N 3.32Å; S547-E549 PolarHBondContact O-N 2.8Å
548	L	32.2	Very low	42.1	Very low	162 Å²	162	113.9 Å²	113.9	85%	0.848	64%	0.635	S	S	*	*			trans	-72.4	81.9	171.9	-76.3	172.6	0	0	0	109.3	P546 L550	P546-L548 PolarHBondContact O-N 3.36Å; L548-L550 PolarHBondContact O-N 3.04Å
549	E	31.7	Very low	40.9	Very low	159 Å²	159	117.4 Å²	117.4	74%	0.743	65%	0.653	S	S	*	*			trans	-60.7	133.6	169	-61.1	-145.4	144.9	0	0	109.7	S547 E551	S547-E549 PolarHBondContact O-N 2.8Å; E549-E551 HydrophobicContact CB-CG 4.43Å; E549-E551 PolarHBondContact O-N 3.09Å
550	L	34.2	Very low	40.5	Very low	177 Å²	177	110.4 Å²	110.4	93%	0.927	63%	0.631	S	S	*	*			trans	-90.8	58.5	-166.3	-137.3	165.6	0	0	0	109.3	L548 S552	L548-L550 PolarHBondContact O-N 3.04Å; L550-S552 PolarHBondContact O-N 3.09Å
551	E	33	Very low	40.3	Very low	166 Å²	166	116.6 Å²	116.6	78%	0.776	66%	0.655	S	S	*	*			trans	-60.9	123.6	-170.2	-68.3	-167.1	110.3	0	0	112.3	E549	E549-E551 HydrophobicContact CB-CG 4.43Å; E549-E551 PolarHBondContact O-N 3.09Å
552	S	27.8	Very low	40	Very low	109 Å²	109	119.9 Å²	119.9	76%	0.762	67%	0.674	S	S	*	*			trans	-74.4	152.6	172.8	51.6	0	0	0	0	110.8	L550 S554	L550-S552 PolarHBondContact O-N 3.09Å; S552-S554 PolarHBondContact O-N 3.46Å
553	T	33	Very low	40.1	Very low	150 Å²	150	118.2 Å²	118.2	92%	0.92	66%	0.66	S	S	*	*	S	Bend	trans	-59.7	101.8	-170.4	50.3	0	0	0	0	114
554	S	32.8	Very low	39.7	Very low	99 Å²	99	114.9 Å²	114.9	69%	0.692	65%	0.65	S	S	*	*			trans	-156.9	42.1	164.1	-168.6	0	0	0	0	113.1	S552 A556	S552-S554 PolarHBondContact O-N 3.46Å; S554-A556 PolarHBondContact O-N 2.98Å
555	E	38.3	Very low	39.3	Very low	177 Å²	177	114.6 Å²	114.6	83%	0.827	66%	0.655	S	S	*	*			trans	-64.5	94	177.4	-72.3	-171.6	160.1	0	0	111.8
556	A	33	Very low	38.8	Very low	66 Å²	66	118.8 Å²	118.8	55%	0.545	67%	0.674	S	S	.	*			trans	-133.5	70.5	180	0	0	0	0	0	112	S554 D558	S554-A556 PolarHBondContact O-N 2.98Å; A556-D558 PolarHBondContact O-N 2.82Å
557	S	42.2	Very low	38.5	Very low	124 Å²	124	123.3 Å²	123.3	87%	0.867	69%	0.687	S	S	*	*			trans	59.8	37.1	163.9	56.4	0	0	0	0	117.8
558	D	40.2	Very low	38.4	Very low	152 Å²	152	123.2 Å²	123.2	81%	0.813	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.5	132.6	168.4	-83.5	-52.4	0	0	0	112.5	A556	A556-D558 PolarHBondContact O-N 2.82Å
559	M	45.8	Very low	38.3	Very low	95 Å²	95	120.5 Å²	120.5	47%	0.468	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-77.7	136.7	166.7	-72.2	-78.8	-76.3	0	0	108.6	Y432 E561 F563	Y432-M559 HydrophobicContact CD1-CE 4.45Å; Y432-M559 HydrophobicContact CD1-SD 3.8Å; M559-E561 PolarHBondContact O-N 3.25Å; M559-F563 HydrophobicContact CE-CB 3.86Å
560	P	52.3	Low	38	Very low	35 Å²	35	121.9 Å²	121.9	23%	0.227	69%	0.687	C	S	.	*	P	Polyproline II helix	trans	-58.6	133.6	168.6	-17	28.5	0	0	0	109.5	F333 Y432 V562 F563	F333-P560 HydrophobicContact CD1-CG 4.28Å; F333-P560 HydrophobicContact CE1-CG 4.35Å; Y432-P560 HydrophobicContact CE1-CG 4.29Å; P560-V562 PolarHBondContact O-N 2.8Å; P560-F563 HydrophobicContact CB-CD2 3.94Å; P560-F563 HydrophobicContact CB-CE2 4.27Å; P560-F563 HydrophobicContact CG-CD2 3.97Å; P560-F563 HydrophobicContact CG-CE2 4.22Å; P560-F563 PolarHBondContact O-N 2.89Å
561	E	53.5	Low	37.7	Very low	181 Å²	181	122.4 Å²	122.4	85%	0.846	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-52.5	-31.5	-173.4	-63	-172.8	133.1	0	0	113.3	M559 F563 S564	M559-E561 PolarHBondContact O-N 3.25Å; E561-F563 PolarHBondContact O-N 3.01Å; E561-F563 VanDerWaalsContact O-N 3.09Å; E561-S564 WeakPolarHBondContact O-CB 3.34Å; E561-S564 PolarHBondContact O-N 3.36Å
562	V	52.7	Low	37.3	Very low	74 Å²	74	123.8 Å²	123.8	45%	0.448	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-52	-27.4	174.1	178.5	0	0	0	0	113.9	H442 P560	H442-V562 HydrophobicContact CB-CG1 4.17Å; P560-V562 PolarHBondContact O-N 2.8Å
563	F	55.7	Low	37.5	Very low	19 Å²	19	124 Å²	124	8%	0.083	69%	0.69	C	S	.	*	G	3₁₀ helix	trans	-101.2	2.2	178.7	-57.8	-70.4	0	0	0	113.6	F333 C434 Q438 H442 M559 P560 E561	F333-F563 AromaticContact CE1-CE2 3.85Å; F333-F563 HydrophobicContact CE1-CE2 3.85Å; F333-F563 HydrophobicContact CE1-CZ 4.39Å; F333-F563 HydrophobicContact CZ-CE2 4.35Å; F333-F563 HydrophobicContact CZ-CZ 4.45Å; C434-F563 HydrophobicContact CB-CD1 3.51Å; C434-F563 HydrophobicContact CB-CE1 3.8Å; C434-F563 WeakPolarHBondContact SG-CE1 3.45Å; Q438-F563 HydrophobicContact CB-CE1 4.42Å; H442-F563 HydrophobicContact CB-CE1 4.37Å; H442-F563 HydrophobicContact CB-CE2 4.39Å; H442-F563 HydrophobicContact CB-CZ 3.65Å; H442-F563 AromaticContact CD2-CZ 4Å; H442-F563 AromaticContact CE1-CE2 3.93Å; H442-F563 AromaticContact CG-CE2 3.84Å; H442-F563 AromaticContact CG-CZ 3.55Å; H442-F563 AromaticContact ND1-CE2 3.65Å; H442-F563 AromaticContact ND1-CZ 3.82Å; M559-F563 HydrophobicContact CE-CB 3.86Å; P560-F563 HydrophobicContact CB-CD2 3.94Å; P560-F563 HydrophobicContact CB-CE2 4.27Å; P560-F563 HydrophobicContact CG-CD2 3.97Å; P560-F563 HydrophobicContact CG-CE2 4.22Å; P560-F563 PolarHBondContact O-N 2.89Å; E561-F563 PolarHBondContact O-N 3.01Å; E561-F563 VanDerWaalsContact O-N 3.09Å
564	S	43	Very low	37.7	Very low	80 Å²	80	122 Å²	122	56%	0.559	68%	0.679	S	S	*	*			trans	-81.5	117.7	167.4	-171.4	0	0	0	0	109.4	E561	E561-S564 WeakPolarHBondContact O-CB 3.34Å; E561-S564 PolarHBondContact O-N 3.36Å
565	S	38.1	Very low	37.4	Very low	81 Å²	81	125.9 Å²	125.9	57%	0.566	69%	0.686	S	S	*	*			trans	-141.4	104.1	176.1	-68.8	0	0	0	0	109.9	E567	S565-E567 PolarHBondContact O-N 3.22Å; S565-E567 VanDerWaalsContact O-N 3.08Å
566	H	32.6	Very low	37.1	Very low	180 Å²	180	122.7 Å²	122.7	83%	0.833	68%	0.681	S	S	*	*			trans	-72.9	91.1	168.5	-87.8	-88.6	0	0	0	110	S568	H566-S568 PolarHBondContact O-N 2.68Å
567	E	29.2	Very low	36.8	Very low	197 Å²	197	128.5 Å²	128.5	92%	0.921	69%	0.694	S	S	*	*			trans	-82.6	94.7	161.9	-82.2	-165.5	86	0	0	110.5	S565	S565-E567 PolarHBondContact O-N 3.22Å; S565-E567 VanDerWaalsContact O-N 3.08Å
568	S	26.2	Very low	36.3	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	69%	0.692	S	S	*	*			trans	-146.4	102.6	159.3	62.6	0	0	0	0	109.7	H566	H566-S568 PolarHBondContact O-N 2.68Å
569	S	28.3	Very low	35.6	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	69%	0.689	S	S	*	*			trans	-73	131.8	-179.6	53.7	0	0	0	0	112.6
570	H	27	Very low	34.6	Very low	188 Å²	188	132.1 Å²	132.1	87%	0.87	71%	0.707	S	S	*	*				-176.8	147	127	-99.9	-69.8	0	0	0	110.8
571	E	27.5	Very low	33.3	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	73%	0.729	S	S	*	*			trans	-91.3	138.1	174.2	-64.8	176.5	90.7	0	0	111.6
572	E	25.1	Very low	31.9	Very low	194 Å²	194	137.4 Å²	137.4	91%	0.907	73%	0.732	S	S	*	*			trans	-166.8	135.7	133.5	-116.1	-178.5	176.1	0	0	112.2
573	P	30.5	Very low	30.7	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	75%	0.751	S	S	*	*			trans	-117.2	178.4	176.1	41.5	-33	0	0	0	113.4
574	P	37.1	Very low	29.3	Very low	107 Å²	107	149.7 Å²	149.7	70%	0.695	79%	0.791	S	S	*	*			cis	-139.3	178.5	-39.7	39.1	-22.9	0	0	0	114.7
575	Q	26.9	Very low	28.5	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	80%	0.804	S	S	*	*			trans	70.9	166.9	160.9	-62.2	-152	22.8	0	0	118.8
576	P	31.9	Very low	27.9	Very low	111 Å²	111	151.4 Å²	151.4	72%	0.721	82%	0.816	S	S	*	*			cis	-124.9	-179.5	-6.4	21.7	2.4	0	0	0	115.5
577	F	26.5	Very low	27.7	Very low	188 Å²	188	152.4 Å²	152.4	83%	0.825	82%	0.821	S	S	*	*			trans	-63.7	160.9	166.6	-81.3	-91.9	0	0	0	113.5
578	P	32	Very low	27.7	Very low	125 Å²	125	152.1 Å²	152.1	81%	0.812	82%	0.82	S	S	*	*				-132.9	168.2	116.5	37.1	-29.2	0	0	0	114.7
579	Q	24.9	Very low	27.8	Very low	163 Å²	163	154.4 Å²	154.4	76%	0.762	83%	0.829	S	S	*	*			trans	-111.8	168.4	176.8	-64.3	-176.4	-15.6	0	0	112.2
580	L	25.4	Very low	27.8	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	83%	0.828	S	S	*	*			trans	72.3	153.8	164.1	-97.5	68.6	0	0	0	116.3
581	A	25.3	Very low	27.9	Very low	84 Å²	84	154.2 Å²	154.2	69%	0.694	83%	0.832	S	S	*	*			cis	-149.7	155.6	4.3	0	0	0	0	0	115.5
582	R	25.1	Very low	27.8	Very low	242 Å²	242	148.7 Å²	148.7	91%	0.913	83%	0.826	S	S	*	*			trans	5.5	127.6	150.3	-65.2	171.2	164.5	171.7	-4.2	121.3
583	T	26.5	Very low	28.6	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	82%	0.823	S	S	*	*				-147.6	116.9	124.7	34.3	0	0	0	0	108.1
584	K	25.9	Very low	28.5	Very low	213 Å²	213	148.4 Å²	148.4	93%	0.926	83%	0.826	S	S	*	*				51	95.9	83.7	-82.5	-167.8	171.4	-176.1	0	115.2
585	G	25.9	Very low	28.7	Very low	80 Å²	80	149.5 Å²	149.5	83%	0.825	83%	0.833	S	S	*	*			trans	-160.4	127.1	161.5	0	0	0	0	0	109.3
586	S	26	Very low	28.8	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	82%	0.82	S	S	*	*			trans	-140.3	136.2	-164.3	58.5	0	0	0	0	113.7
587	Q	29.4	Very low	28.6	Very low	202 Å²	202	146.4 Å²	146.4	94%	0.944	83%	0.825	S	S	*	*			trans	-156.3	158.1	148.2	-113.2	163.5	24.3	0	0	111.7
588	Q	27.9	Very low	28.7	Very low	190 Å²	190	146.4 Å²	146.4	89%	0.888	83%	0.825	S	S	*	*			trans	-123.5	159.6	-176	-65.6	179	-18.6	0	0	110.4
589	V	28.3	Very low	28.4	Very low	153 Å²	153	145.4 Å²	145.4	93%	0.927	82%	0.821	S	S	*	*			trans	158.2	132.1	137.5	156.1	0	0	0	0	107.9
590	G	28.6	Very low	28.6	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	83%	0.826	S	S	*	*			cis	-169.6	-176	-1.1	0	0	0	0	0	114.5
591	K	29.3	Very low	28.7	Very low	219 Å²	219	145.3 Å²	145.3	95%	0.952	83%	0.829	S	S	*	*			trans	-45.9	154.3	179.4	-56.9	158.7	-177	175.1	0	113
592	G	26.1	Very low	28.6	Very low	72 Å²	72	147 Å²	147	74%	0.742	84%	0.835	S	S	*	*			cis	129.1	172.5	27.1	0	0	0	0	0	108.7
593	P	40.8	Very low	28.6	Very low	131 Å²	131	143.6 Å²	143.6	85%	0.851	83%	0.832	S	S	*	*			cis	-127.6	-169.7	11.5	43.3	-27.3	0	0	0	114.8
594	Q	29.1	Very low	28.5	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	83%	0.832	S	S	*	*			trans	-94.7	175.6	173.9	-53.5	177.4	-34.9	0	0	112
595	P	41.1	Very low	28.5	Very low	131 Å²	131	137.4 Å²	137.4	85%	0.851	82%	0.82	S	S	*	*				-137.9	-168.9	78.9	28.4	-8	0	0	0	113.6
596	A	27.9	Very low	28.4	Very low	69 Å²	69	140.4 Å²	140.4	57%	0.57	82%	0.816	S	S	*	*				178.3	160.4	-60.5	0	0	0	0	0	110.1
597	L	28.7	Very low	28.5	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	82%	0.818	S	S	*	*			trans	71	142	174.3	-52.8	172.2	0	0	0	115.1
598	K	28.2	Very low	28.2	Very low	188 Å²	188	137.3 Å²	137.3	82%	0.817	81%	0.808	S	S	*	*			cis	-148.3	157.8	4.3	-121.2	160.9	-169.4	-178.9	0	110.4
599	S	26.6	Very low	28.1	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	81%	0.807	S	S	*	*			trans	-138.1	145.8	171.8	173	0	0	0	0	109.6
600	C	27.9	Very low	28	Very low	129 Å²	129	133.1 Å²	133.1	87%	0.872	80%	0.8	S	S	*	*			trans	-144	126.5	164.9	-82.6	0	0	0	0	109.4
601	Q	27.6	Very low	27.9	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	81%	0.807	S	S	*	*			trans	-101.6	158.3	166.8	-62.7	168.1	-33	0	0	109.2
602	S	24.7	Very low	27.7	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	80%	0.802	S	S	*	*			trans	-159.2	150.6	133.5	-165.4	0	0	0	0	111.1
603	M	23.8	Very low	27.7	Very low	171 Å²	171	134 Å²	134	84%	0.842	80%	0.796	S	S	*	*			trans	-108.7	-160.5	167.2	-63	-177.8	-75	0	0	109.5
604	V	25.6	Very low	27	Very low	140 Å²	140	135 Å²	135	85%	0.848	80%	0.795	S	S	*	*			trans	83.3	132.7	173	-170.2	0	0	0	0	114.6
605	A	24.5	Very low	26.9	Very low	81 Å²	81	136.2 Å²	136.2	67%	0.669	80%	0.8	S	S	*	*			cis	144	147.2	-32.9	0	0	0	0	0	112.5
606	L	25.5	Very low	26.3	Very low	144 Å²	144	136 Å²	136	75%	0.754	80%	0.797	S	S	*	*			trans	73.1	110.7	158.5	-65.7	163.6	0	0	0	122.1
607	Q	26.2	Very low	26.4	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	81%	0.811	S	S	*	*				72	141.9	125.2	-72.7	177.2	-19.4	0	0	124.5
608	G	24.8	Very low	26.4	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	81%	0.806	S	S	*	*			trans	98.8	143.1	158	0	0	0	0	0	116.1
609	S	25.6	Very low	26.3	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	80%	0.804	S	S	*	*			cis	-158.7	170	-8.8	-74.7	0	0	0	0	110.6
610	T	25.8	Very low	26.5	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	80%	0.8	S	S	*	*			trans	-70.3	154	175.9	36.9	0	0	0	0	114.6
611	L	26.2	Very low	26.6	Very low	166 Å²	166	142.3 Å²	142.3	87%	0.869	79%	0.791	S	S	*	*				172.2	164.6	123.7	-97.1	166.8	0	0	0	116.6
612	V	25.1	Very low	26.7	Very low	138 Å²	138	142 Å²	142	84%	0.836	79%	0.789	S	S	*	*			trans	76.3	140.8	166.5	-163.7	0	0	0	0	118.4
613	A	26.4	Very low	27.2	Very low	75 Å²	75	143.5 Å²	143.5	62%	0.62	78%	0.783	S	S	*	*			trans	-133.3	177.5	178.4	0	0	0	0	0	111.2
614	N	25.2	Very low	27.6	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	78%	0.78	S	S	*	*			trans	68.3	120.3	172.2	-52.7	-37.9	0	0	0	117.1
615	Q	27.9	Very low	27.8	Very low	196 Å²	196	140 Å²	140	92%	0.916	78%	0.776	S	S	*	*				-165.5	172.8	93.6	-105.8	-171.6	7.9	0	0	113.7
616	T	28.7	Very low	28.1	Very low	126 Å²	126	146 Å²	146	77%	0.773	79%	0.79	S	S	*	*			trans	-108.3	161.1	-164.8	-38.7	0	0	0	0	111.6
617	R	29.6	Very low	28.3	Very low	233 Å²	233	142.9 Å²	142.9	88%	0.879	79%	0.793	S	S	*	*			trans	80.9	102.2	150.4	-114.4	175.2	-179.9	172.1	-1.5	118.4
618	A	27.9	Very low	28.5	Very low	86 Å²	86	146.5 Å²	146.5	71%	0.711	80%	0.798	S	S	*	*				16.6	142.7	127.4	0	0	0	0	0	120.7
619	F	25.8	Very low	28.7	Very low	178 Å²	178	146.7 Å²	146.7	78%	0.781	80%	0.8	S	S	*	*				-165.3	163.5	112.1	-121.4	-118.5	0	0	0	112.1
620	Q	31.2	Very low	29.2	Very low	137 Å²	137	150 Å²	150	64%	0.64	80%	0.802	S	S	*	*			trans	19	149.9	153.3	-75	176.7	-46.7	0	0	121.5
621	E	30.6	Very low	29.9	Very low	146 Å²	146	149.3 Å²	149.3	68%	0.682	80%	0.799	S	S	*	*			cis	-166.6	147.1	4.1	-130.7	151.8	-165	0	0	113.2
622	Q	30.6	Very low	29.9	Very low	184 Å²	184	147.6 Å²	147.6	86%	0.86	80%	0.8	S	S	*	*			trans	-175.3	113	144.6	-105.1	176.4	-10.3	0	0	106.2
623	E	33.9	Very low	30.2	Very low	150 Å²	150	147 Å²	147	70%	0.701	80%	0.796	S	S	*	*				63.8	128.8	67.8	-61.9	-144.5	111.5	0	0	113.2
624	Q	32.4	Very low	30.3	Very low	165 Å²	165	148.7 Å²	148.7	77%	0.771	80%	0.804	S	S	*	*			cis	-159.1	146	6	-128.8	-177.4	52.1	0	0	112.2
625	G	29.1	Very low	30.5	Very low	74 Å²	74	146.5 Å²	146.5	76%	0.763	80%	0.801	S	S	*	*			trans	76.5	162.8	157.1	0	0	0	0	0	118.8
626	Q	31.2	Very low	30.6	Very low	207 Å²	207	143.2 Å²	143.2	97%	0.967	79%	0.794	S	S	*	*			cis	-160.9	132.4	-11.5	-162.6	172.6	49	0	0	110.8
627	G	29.6	Very low	31.1	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	80%	0.797	S	S	*	*			trans	174.3	131.5	174.5	0	0	0	0	0	114
628	R	32	Very low	31.2	Very low	259 Å²	259	142.8 Å²	142.8	98%	0.977	80%	0.795	S	S	*	*			trans	-109.7	155.9	177.9	-73.8	179.5	166.3	-162.4	-2.5	110.8
629	G	28.2	Very low	31.3	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	80%	0.801	S	S	*	*			trans	-160.1	-9.8	-179.5	0	0	0	0	0	120.7
630	E	35.1	Very low	31.5	Very low	195 Å²	195	149.2 Å²	149.2	91%	0.911	80%	0.801	S	S	*	*			trans	62.4	166.1	173.1	-74.8	-160.6	158.7	0	0	118.9
631	P	40.8	Very low	31.5	Very low	114 Å²	114	152 Å²	152	74%	0.74	81%	0.811	S	S	*	*			trans	-120.5	175.9	-156	43.3	-32.8	0	0	0	116
632	C	27	Very low	31.4	Very low	131 Å²	131	151 Å²	151	89%	0.885	82%	0.815	S	S	*	*			trans	-142.2	171.9	155.4	-154.5	0	0	0	0	111.7
633	V	30.2	Very low	31.4	Very low	124 Å²	124	148.2 Å²	148.2	75%	0.752	81%	0.81	S	S	*	*			trans	-127.2	167.4	-153.6	177.7	0	0	0	0	112.3
634	S	29	Very low	31.2	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	82%	0.819	S	S	*	*			trans	84.5	145.8	169.9	80.6	0	0	0	0	116.2
635	S	29	Very low	31.1	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	82%	0.824	S	S	*	*			cis	-159.6	152.6	-15.1	38	0	0	0	0	110.6
636	T	31.7	Very low	31.2	Very low	127 Å²	127	154.9 Å²	154.9	78%	0.779	83%	0.829	S	S	*	*			trans	-89.1	165	163.7	59.8	0	0	0	0	110.6
637	P	39	Very low	31.1	Very low	128 Å²	128	150.4 Å²	150.4	83%	0.831	82%	0.821	S	S	*	*				-136	158.6	99.8	36.3	-25.7	0	0	0	114.8
638	R	32.1	Very low	31.2	Very low	222 Å²	222	152.2 Å²	152.2	84%	0.838	82%	0.816	S	S	*	*			trans	-98	149.1	164.9	-65.9	170.8	169.3	166.9	-4.9	109.6
639	F	30.1	Very low	31.3	Very low	191 Å²	191	146.9 Å²	146.9	84%	0.838	81%	0.807	S	S	*	*			trans	170.1	154.7	142.6	-87.3	-44.6	0	0	0	108.6
640	R	28.7	Very low	31.4	Very low	207 Å²	207	150.8 Å²	150.8	78%	0.781	81%	0.81	S	S	*	*			cis	-163.7	147.5	-24	-162.9	174.7	-175.9	162.9	-2.6	105.8
641	K	31.2	Very low	31.4	Very low	197 Å²	197	146.7 Å²	146.7	86%	0.857	80%	0.803	S	S	*	*			trans	-61.9	138.7	168.3	-79.3	-176.9	173.2	-177.7	0	110.3
642	V	29.5	Very low	30.9	Very low	125 Å²	125	144.5 Å²	144.5	76%	0.758	80%	0.802	S	S	*	*			trans	-127	127.6	157.1	177	0	0	0	0	107.3
643	V	30.4	Very low	31.3	Very low	124 Å²	124	146.8 Å²	146.8	75%	0.752	80%	0.799	S	S	*	*			trans	-103.4	137.4	169.8	174.2	0	0	0	0	107.2
644	R	30.1	Very low	31.8	Very low	237 Å²	237	150.3 Å²	150.3	89%	0.894	81%	0.807	S	S	*	*			trans	-134.2	119.7	163.4	-90	-174.9	165.4	164.6	-4.7	109.3
645	Q	29.8	Very low	32.1	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.874	81%	0.811	S	S	*	*			trans	-80	149.7	154.5	-66.6	167.8	-79	0	0	108.2
646	A	30.3	Very low	33	Very low	106 Å²	106	153.3 Å²	153.3	88%	0.876	82%	0.819	S	S	*	*			trans	-140.6	151.4	155.9	0	0	0	0	0	107.3
647	S	29.3	Very low	33.6	Very low	113 Å²	113	155.9 Å²	155.9	79%	0.79	85%	0.853	S	S	*	*			trans	-154.3	174.5	-178.7	-169	0	0	0	0	107.8
648	V	32.2	Very low	33.3	Very low	115 Å²	115	157.3 Å²	157.3	70%	0.697	85%	0.854	S	S	*	*			trans	83.5	104.6	-179.6	-173.7	0	0	0	0	113.8
649	D	33.3	Very low	33.4	Very low	147 Å²	147	153.9 Å²	153.9	79%	0.786	86%	0.855	S	S	*	*				41.5	134.5	122	-36	-26.7	0	0	0	118.1
650	D	30.4	Very low	33.6	Very low	156 Å²	156	151.8 Å²	151.8	83%	0.834	86%	0.856	S	S	*	*				-155	-166.4	66.9	-156.8	-15.2	0	0	0	113
651	S	34.6	Very low	33.9	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	86%	0.861	S	S	*	*			trans	-96.6	169.3	-164.1	52.1	0	0	0	0	115.6
652	G	30.3	Very low	34.1	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	86%	0.861	S	S	*	*			trans	160.1	114.1	166.9	0	0	0	0	0	116.1
653	E	36.3	Very low	34.4	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	87%	0.868	S	S	*	*			trans	31	117.7	142.8	-70.6	166.3	168.9	0	0	120
654	E	40.4	Very low	34.6	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	88%	0.876	S	S	*	*				75.8	139.2	89.1	-72.5	-163.6	169.4	0	0	115.9
655	G	34.5	Very low	35	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	88%	0.875	S	S	*	*			trans	148.1	116.1	172	0	0	0	0	0	114.6
656	E	49.8	Very low	35.4	Very low	202 Å²	202	138 Å²	138	94%	0.944	88%	0.875	S	S	*	*			trans	-88.3	143	175	-58.7	170.3	112.1	0	0	112.3
657	A	43.6	Very low	35.9	Very low	181 Å²	181	140.9 Å²	140.9	100%	1.496	88%	0.875	S	S	*	*			trans	-173.7	0	146.1	0	0	0	0	0	111.3

Retrieved 657 of 657 residues in 142 ms (Link to these results)

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