A0A087XM06_POEFO Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XM06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	30.6	Very low	228 Å²	228	137.5 Å²	137.5	100%	1.123	78%	0.782	S	S	*	*				0	77.8	0	-55.7	176.8	-171.3	0	0	106.1
2	S	30.4	Very low	30.7	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	77%	0.773	S	S	*	*			cis	68.8	94.6	31.1	-40.2	0	0	0	0	112.4
3	V	31.5	Very low	30.6	Very low	148 Å²	148	134.5 Å²	134.5	90%	0.897	77%	0.771	S	S	*	*			trans	-156.7	102.1	145.9	-100.5	0	0	0	0	107.5
4	D	27	Very low	30.6	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	78%	0.776	S	S	*	*			trans	-74.8	-171.1	158.1	-63.4	-85.4	0	0	0	110.7
5	M	29.8	Very low	30.5	Very low	167 Å²	167	141 Å²	141	82%	0.823	78%	0.783	S	S	*	*			trans	99.9	117.5	175.7	-56.8	-65.4	167.2	0	0	113.8
6	N	28.8	Very low	30.5	Very low	142 Å²	142	140.9 Å²	140.9	76%	0.759	78%	0.78	S	S	*	*			cis	70.3	142.3	34.9	-148.1	36	0	0	0	111.7
7	S	33.6	Very low	30.5	Very low	74 Å²	74	144 Å²	144	52%	0.517	78%	0.784	S	S	.	*			cis	-127.2	-145.6	5.9	-34.2	0	0	0	0	110.2
8	Q	30.6	Very low	30.3	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.794	78%	0.78	S	S	*	*			cis	-151.3	154.5	5.1	-134.2	120	-0.1	0	0	107.5
9	A	30	Very low	30.6	Very low	77 Å²	77	139.8 Å²	139.8	64%	0.636	78%	0.784	S	S	*	*				58.6	158.9	98	0	0	0	0	0	116.5
10	S	32	Very low	30.4	Very low	103 Å²	103	140 Å²	140	72%	0.72	78%	0.783	S	S	*	*			cis	-162.5	161.6	13.9	18.3	0	0	0	0	110.2
11	D	29.3	Very low	30.3	Very low	150 Å²	150	137 Å²	137	80%	0.802	77%	0.772	S	S	*	*			cis	-144.1	-125.6	-18.3	-80.1	-34.1	0	0	0	107.4
12	S	32	Very low	30	Very low	97 Å²	97	134 Å²	134	68%	0.678	76%	0.755	S	S	*	*			cis	-170	149.2	-0.5	53.7	0	0	0	0	112.1
13	N	28.4	Very low	30.1	Very low	140 Å²	140	137 Å²	137	75%	0.749	76%	0.757	S	S	*	*			trans	71.6	133.6	164.5	-59.1	25.8	0	0	0	119.3
14	E	30.6	Very low	30.1	Very low	178 Å²	178	136.3 Å²	136.3	83%	0.832	75%	0.748	S	S	*	*			cis	118.4	162.5	3	-70.6	-169.9	153	0	0	115.9
15	E	30.2	Very low	30.3	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	75%	0.745	S	S	*	*			trans	75.4	125.2	-178.3	-56.2	178.3	-163.9	0	0	115.7
16	D	30.5	Very low	30.4	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	74%	0.739	S	S	*	*			cis	117.3	159.3	5.4	-164.2	30.8	0	0	0	114.4
17	F	29.3	Very low	30.6	Very low	194 Å²	194	135.6 Å²	135.6	85%	0.851	74%	0.738	S	S	*	*			trans	71.8	151.2	-173.3	-61.6	-94.3	0	0	0	116.3
18	G	28	Very low	30.6	Very low	69 Å²	69	139.2 Å²	139.2	71%	0.711	75%	0.751	S	S	*	*			cis	-174.9	171.8	-1.2	0	0	0	0	0	112
19	V	35.1	Very low	30.9	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	75%	0.751	S	S	*	*			trans	-104.6	149.3	-167.6	172.6	0	0	0	0	114.2
20	N	27.1	Very low	31.1	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	76%	0.757	S	S	*	*			trans	-174.9	141.6	144.9	-88.1	-2.5	0	0	0	106.5
21	S	27.5	Very low	31.1	Very low	79 Å²	79	143.5 Å²	143.5	55%	0.552	76%	0.761	S	S	*	*			cis	68.1	139	48.4	81.3	0	0	0	0	113.5
22	E	28.8	Very low	31.2	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	76%	0.756	S	S	*	*			cis	-162.3	-175	9.4	-136.4	138.5	-139.8	0	0	110.6
23	E	32.5	Very low	31.1	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	76%	0.762	S	S	*	*			trans	70.2	146.7	161.2	-68.9	168	-152.8	0	0	120.8
24	D	30.1	Very low	31.3	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	77%	0.771	S	S	*	*			cis	-170	-175.5	-27.3	-113.6	5.9	0	0	0	113.3
25	H	32	Very low	31.6	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.718	78%	0.775	S	S	*	*			trans	91.3	110.8	178.2	-58	-65.2	0	0	0	116.6
26	E	31.8	Very low	31.7	Very low	149 Å²	149	142.5 Å²	142.5	70%	0.696	78%	0.775	S	S	*	*				78.9	134.7	58.3	-69.1	173.6	167	0	0	113.1
27	D	32.8	Very low	31.8	Very low	135 Å²	135	143 Å²	143	72%	0.722	78%	0.778	S	S	*	*			cis	-167.9	-175.4	-15.8	-110.1	-9.7	0	0	0	110.1
28	D	34.5	Very low	32.5	Very low	150 Å²	150	140 Å²	140	80%	0.802	78%	0.779	S	S	*	*			trans	70.5	142.7	165.4	-61.5	-12.8	0	0	0	120.6
29	D	36.3	Very low	32.6	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	77%	0.774	S	S	*	*			cis	-168.5	166.2	-29.8	-148.5	-2.3	0	0	0	111.1
30	D	33.5	Very low	32.7	Very low	143 Å²	143	140 Å²	140	77%	0.765	77%	0.771	S	S	*	*			trans	60.8	152.5	164.4	-119.2	12.5	0	0	0	119.1
31	D	32.8	Very low	33.2	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	77%	0.774	S	S	*	*			cis	-152.2	165.1	-1.6	176.4	28.9	0	0	0	108.9
32	G	31.7	Very low	33.6	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	77%	0.774	S	S	*	*			trans	95.9	87.7	149.4	0	0	0	0	0	117.5
33	G	30	Very low	34	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	78%	0.775	S	S	*	*			trans	-121.4	150.4	168.3	0	0	0	0	0	113.2
34	E	31.7	Very low	34.2	Very low	199 Å²	199	140.2 Å²	140.2	93%	0.93	77%	0.772	S	S	*	*			trans	-149.1	130.9	166.7	-111.7	167.4	-162.6	0	0	109
35	E	37.3	Very low	34.5	Very low	195 Å²	195	142.6 Å²	142.6	91%	0.911	77%	0.772	S	S	*	*			trans	-102.5	118.7	176.4	-67.4	-174.1	143.7	0	0	109.8
36	E	33.2	Very low	34.6	Very low	191 Å²	191	142.5 Å²	142.5	89%	0.893	78%	0.777	S	S	*	*			trans	-133.5	125.1	166.4	-72.3	-156.1	144.5	0	0	113.7
37	D	32.5	Very low	34.7	Very low	149 Å²	149	138 Å²	138	80%	0.797	77%	0.771	S	S	*	*			trans	30.3	119.8	155.1	-149.5	24.6	0	0	0	121.4	G39	D37-G39 VanDerWaalsContact C-N 3.31Å; D37-G39 PolarHBondContact O-N 2.85Å
38	P	44.2	Very low	34.7	Very low	133 Å²	133	137.5 Å²	137.5	86%	0.864	77%	0.772	S	S	*	*			trans	-76.8	71.5	175.1	33.4	-36.9	0	0	0	113.4
39	G	29.6	Very low	34.8	Very low	60 Å²	60	134.8 Å²	134.8	62%	0.619	77%	0.77	S	S	*	*			trans	-82.5	132.8	176.6	0	0	0	0	0	115.2	D37 I41	D37-G39 VanDerWaalsContact C-N 3.31Å; D37-G39 PolarHBondContact O-N 2.85Å; G39-I41 PolarHBondContact O-N 2.91Å
40	D	37.3	Very low	34.6	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	77%	0.766	S	S	*	*			trans	28.9	79.7	160.5	-69.8	-44.4	0	0	0	119.7	A42	D40-A42 PolarHBondContact O-N 3.17Å
41	I	37.9	Very low	34.3	Very low	159 Å²	159	132 Å²	132	82%	0.815	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-79.4	14.9	158.6	-160.3	163.3	0	0	0	113.1	G39	G39-I41 PolarHBondContact O-N 2.91Å
42	A	35.6	Very low	34.3	Very low	67 Å²	67	131.2 Å²	131.2	55%	0.554	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-72	-35.2	-176.6	0	0	0	0	0	113.4	D40 Y44	D40-A42 PolarHBondContact O-N 3.17Å; A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 2.95Å
43	D	37.4	Very low	34.3	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-79.3	-4.7	-169.9	-78.4	-0.1	0	0	0	114.7	Y45	D43-Y45 VanDerWaalsContact C-N 3.26Å; D43-Y45 PolarHBondContact O-N 2.93Å
44	Y	36.4	Very low	34.5	Very low	188 Å²	188	141.5 Å²	141.5	74%	0.737	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-73.5	-14.3	179.5	-165.9	-104.2	0	0	0	113.9	A42	A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 2.95Å
45	Y	36.5	Very low	34.6	Very low	185 Å²	185	140.7 Å²	140.7	73%	0.725	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-108.3	-2.2	-172.2	-86.9	-79.4	0	0	0	116.4	D43	D43-Y45 VanDerWaalsContact C-N 3.26Å; D43-Y45 PolarHBondContact O-N 2.93Å
46	D	33.1	Very low	34.1	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	76%	0.756	S	S	*	*	S	Bend	trans	-94.7	11.7	178.6	-149.9	35.2	0	0	0	113.5
47	G	34.1	Very low	34.2	Very low	55 Å²	55	129.3 Å²	129.3	57%	0.567	75%	0.746	S	S	*	*	S	Bend	trans	-106.5	-9.4	-173	0	0	0	0	0	117.2
48	V	33	Very low	34.2	Very low	123 Å²	123	125.9 Å²	125.9	75%	0.745	73%	0.728	S	S	*	*	S	Bend	trans	-116.1	15.9	-170.2	-69	0	0	0	0	114.6
49	A	36.7	Very low	33.9	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	72%	0.722	S	S	*	*	S	Bend	trans	-101.3	21.5	-178.5	0	0	0	0	0	114.7
50	S	32.3	Very low	34.5	Very low	99 Å²	99	125 Å²	125	69%	0.692	72%	0.716	S	S	*	*	S	Bend	trans	-126.6	-38.8	-179.2	-66.1	0	0	0	0	114.5	V52	S50-V52 PolarHBondContact O-N 2.89Å
51	D	27	Very low	35.1	Very low	134 Å²	134	119.2 Å²	119.2	72%	0.717	69%	0.685	S	S	*	*			trans	-86.3	57.4	-162.6	-61.2	-24.2	0	0	0	113.6	E53	D51-E53 PolarHBondContact O-N 2.93Å
52	V	33.3	Very low	35.9	Very low	133 Å²	133	113.1 Å²	113.1	81%	0.806	66%	0.656	S	S	*	*			trans	-69.3	79.3	148.6	-178.2	0	0	0	0	106.6	S50 Q54	S50-V52 PolarHBondContact O-N 2.89Å; V52-Q54 PolarHBondContact O-N 2.95Å
53	E	31.3	Very low	36.9	Very low	176 Å²	176	110.8 Å²	110.8	82%	0.822	63%	0.634	S	S	*	*			trans	-53	115.6	175.5	-80.8	-156.6	129.6	0	0	109.2	D51 Q55	D51-E53 PolarHBondContact O-N 2.93Å; E53-Q55 PolarHBondContact O-N 3.27Å
54	Q	35	Very low	37.8	Very low	186 Å²	186	109.3 Å²	109.3	87%	0.869	62%	0.622	S	S	*	*			trans	-67.1	98.7	173.1	-66.2	174.7	-66.5	0	0	107.2	V52 G56	V52-Q54 PolarHBondContact O-N 2.95Å; Q54-G56 WeakPolarHBondContact O-CA 3.3Å; Q54-G56 PolarHBondContact O-N 2.8Å
55	Q	32	Very low	39.2	Very low	182 Å²	182	102.5 Å²	102.5	85%	0.85	60%	0.595	S	S	*	*			trans	-44.7	115.7	162.8	-72.9	-174	-17	0	0	107.2	E53	E53-Q55 PolarHBondContact O-N 3.27Å
56	G	28.2	Very low	41	Very low	62 Å²	62	99.9 Å²	99.9	64%	0.639	59%	0.593	S	S	*	*			trans	-56.6	147.5	-149.5	0	0	0	0	0	113.8	Q54 D58	Q54-G56 WeakPolarHBondContact O-CA 3.3Å; Q54-G56 PolarHBondContact O-N 2.8Å; G56-D58 PolarHBondContact O-N 2.8Å
57	A	35.3	Very low	43.4	Very low	85 Å²	85	95.6 Å²	95.6	70%	0.702	57%	0.567	S	S	*	*			trans	-51.6	99.5	-178.4	0	0	0	0	0	111.9	S59	A57-S59 PolarHBondContact O-N 2.89Å
58	D	32.7	Very low	45.8	Very low	77 Å²	77	96.8 Å²	96.8	41%	0.412	56%	0.564	S	S	.	*			trans	-75.3	78.5	178.5	178.9	30.6	0	0	0	108.6	G56 S60 D61 R492	G56-D58 PolarHBondContact O-N 2.8Å; D58-S60 PolarHBondContact O-N 3.14Å; D58-D61 PolarHBondContact O-N 2.78Å; D58-D61 VanDerWaalsContact O-N 3.16Å; D58-R492 IonicContact OD2-CZ 3.99Å; D58-R492 VanDerWaalsContact OD2-CZ 3.23Å; D58-R492 IonicContact OD2-NH1 2.78Å; D58-R492 PolarHBondContact OD2-NH1 3.47Å; D58-R492 IonicContact OD2-NH2 3Å; D58-R492 PolarHBondContact OD2-NH2 3.44Å
59	S	37.7	Very low	48.3	Very low	106 Å²	106	92.7 Å²	92.7	74%	0.741	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	22.8	-173.1	57	0	0	0	0	116.2	A57	A57-S59 PolarHBondContact O-N 2.89Å
60	S	42.3	Very low	50.6	Low	70 Å²	70	89.3 Å²	89.3	49%	0.49	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	7.3	-178	-76.8	0	0	0	0	113.6	D58 P62 K496	D58-S60 PolarHBondContact O-N 3.14Å; S60-P62 WeakPolarHBondContact O-CD 3.21Å; S60-K496 WeakPolarHBondContact O-CE 3.47Å; S60-K496 PolarHBondContact O-NZ 3.41Å
61	D	49.4	Very low	53.3	Low	24 Å²	24	87.5 Å²	87.5	13%	0.128	49%	0.494	C	S	.	.			trans	-80	116.7	167.3	-160.7	-40.8	0	0	0	110.7	D58 E63 E64 K426 R492	D58-D61 PolarHBondContact O-N 2.78Å; D58-D61 VanDerWaalsContact O-N 3.16Å; D61-E63 PolarHBondContact O-N 2.06Å; D61-E63 VanDerWaalsContact O-N 3.1Å; D61-E63 WeakPolarHBondContact OD1-CB 3.4Å; D61-E63 WeakPolarHBondContact OD1-CG 3.47Å; D61-E63 PolarHBondContact OD1-N 3.34Å; D61-E64 HydrophobicContact CB-CG 4.38Å; D61-E64 PolarHBondContact O-N 3.03Å; D61-K426 IonicContact OD2-NZ 3.21Å; D61-R492 IonicContact OD2-CZ 2.67Å; D61-R492 IonicContact OD2-NE 2.9Å; D61-R492 IonicContact OD2-NH2 3.09Å; D61-R492 PolarHBondContact OD2-NH2 3.11Å
62	P	54.4	Low	55.9	Low	32 Å²	32	85.5 Å²	85.5	21%	0.208	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.8	179	30.7	-36.9	0	0	0	113.9	S60 R251 K496	S60-P62 WeakPolarHBondContact O-CD 3.21Å; P62-R251 PolarHBondContact O-NH1 3.43Å; P62-K496 HydrophobicContact CG-CG 4.24Å
63	E	55.5	Low	58.3	Low	18 Å²	18	87.3 Å²	87.3	8%	0.084	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.9	175.3	-60	179.7	132.6	0	0	113.5	D61 K426 R491 L495	D61-E63 PolarHBondContact O-N 2.06Å; D61-E63 VanDerWaalsContact O-N 3.1Å; D61-E63 WeakPolarHBondContact OD1-CB 3.4Å; D61-E63 WeakPolarHBondContact OD1-CG 3.47Å; D61-E63 PolarHBondContact OD1-N 3.34Å; E63-K426 WeakPolarHBondContact OE2-CE 3.4Å; E63-K426 IonicContact OE2-NZ 3.86Å; E63-K426 PolarHBondContact OE2-NZ 3.03Å; E63-R491 IonicContact OE1-CZ 3.87Å; E63-R491 IonicContact OE1-NH1 3.64Å; E63-R491 PolarHBondContact OE1-NH1 3.33Å; E63-R491 IonicContact OE1-NH2 3.68Å; E63-R491 IonicContact OE2-CZ 2.87Å; E63-R491 VanDerWaalsContact OE2-CZ 3.3Å; E63-R491 IonicContact OE2-NH1 2.73Å; E63-R491 PolarHBondContact OE2-NH1 3.27Å; E63-R491 IonicContact OE2-NH2 3.65Å; E63-R491 PolarHBondContact OE2-NH2 3.07Å; E63-L495 HydrophobicContact CG-CD1 4.36Å
64	E	57.3	Low	60.9	Low	114 Å²	114	82.3 Å²	82.3	53%	0.533	45%	0.45	S	S	.	.			trans	-64.6	136.9	178.6	-79.1	-165.4	160.8	0	0	112.4	D61	D61-E64 HydrophobicContact CB-CG 4.38Å; D61-E64 PolarHBondContact O-N 3.03Å
65	Y	66.4	Low	63.4	Low	45 Å²	45	73.4 Å²	73.4	18%	0.176	41%	0.409	C	S	.	.			trans	-157.3	131.4	-176.8	-172.6	-89.2	0	0	0	111.7	F67 V245 Q246 E247 R251	Y65-F67 HydrophobicContact CD1-CB 4.15Å; Y65-F67 HydrophobicContact CD1-CD1 4.32Å; Y65-F67 HydrophobicContact CE1-CB 4.28Å; Y65-F67 WeakPolarHBondContact O-CD1 3.19Å; Y65-F67 PolarHBondContact O-N 2.76Å; Y65-V245 HydrophobicContact CE1-CB 3.72Å; Y65-V245 HydrophobicContact CE1-CG1 3.76Å; Y65-V245 WeakPolarHBondContact OH-CB 3.49Å; Y65-Q246 PolarHBondContact OH-N 3.36Å; Y65-E247 PolarHBondContact OH-N 3.06Å; Y65-E247 PolarHBondContact OH-O 3.05Å; Y65-R251 HydrophobicContact CD1-CB 4.45Å; Y65-R251 HydrophobicContact CD2-CB 3.9Å; Y65-R251 HydrophobicContact CD2-CG 3.64Å; Y65-R251 HydrophobicContact CE2-CG 4.24Å; Y65-R251 HydrophobicContact CG-CB 3.81Å; Y65-R251 HydrophobicContact CG-CG 4.08Å
66	L	74.4	Confident	65.9	Low	130 Å²	130	69 Å²	69	68%	0.681	39%	0.388	S	S	*	.			trans	-79.5	98.9	179.8	-67	174.3	0	0	0	111.7
67	F	82.3	Confident	68.6	Low	64 Å²	64	73 Å²	73	28%	0.281	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.4	170.7	68.1	-92.4	0	0	0	111.2	Y65 I243 K244 V245 V253 Q254	Y65-F67 HydrophobicContact CD1-CB 4.15Å; Y65-F67 HydrophobicContact CD1-CD1 4.32Å; Y65-F67 HydrophobicContact CE1-CB 4.28Å; Y65-F67 WeakPolarHBondContact O-CD1 3.19Å; Y65-F67 PolarHBondContact O-N 2.76Å; F67-I243 HydrophobicContact CB-CG2 3.82Å; F67-I243 HydrophobicContact CD2-CG2 3.87Å; F67-I243 HydrophobicContact CG-CG2 4.14Å; F67-K244 CarbonylContact C-O 3.46Å; F67-K244 VanDerWaalsContact CA-O 3.3Å; F67-K244 WeakPolarHBondContact CA-O 3.41Å; F67-V245 HydrophobicContact CB-CG1 4.05Å; F67-V253 HydrophobicContact CB-CG1 4.11Å; F67-V253 HydrophobicContact CD1-CB 4.35Å; F67-V253 HydrophobicContact CD1-CG1 3.91Å; F67-V253 HydrophobicContact CG-CB 4.38Å; F67-V253 HydrophobicContact CG-CG1 3.95Å; F67-Q254 WeakPolarHBondContact CE2-O 3.4Å; F67-Q254 HydrophobicContact CZ-CB 4.22Å
68	T	84.3	Confident	71.1	Confident	80 Å²	80	70 Å²	70	49%	0.491	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.6	171.5	58.2	0	0	0	0	110.8	I243 K244	T68-I243 WeakPolarHBondContact O-CA 3.47Å; T68-K244 PolarHBondContact N-O 2.87Å; T68-K244 PolarHBondContact O-N 2.83Å
69	C	85.6	Confident	73.6	Confident	36 Å²	36	66.8 Å²	66.8	24%	0.243	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.2	172.4	-73.1	0	0	0	0	109.2	I241 S256	C69-I241 HydrophobicContact CB-CG2 3.81Å; C69-S256 WeakPolarHBondContact CB-OG 3.31Å
70	L	86.4	Confident	75.9	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.5	177	-57.5	-178.4	0	0	0	110.4	E74 V78 L231 V242 K244	L70-E74 HydrophobicContact CB-CB 4.26Å; L70-E74 HydrophobicContact CD2-CB 4.35Å; L70-V78 HydrophobicContact CD1-CG2 4.49Å; L70-L231 HydrophobicContact CD1-CD2 4.38Å; L70-V242 PolarHBondContact N-O 3Å; L70-V242 PolarHBondContact O-N 3.41Å; L70-K244 HydrophobicContact CD1-CB 3.84Å; L70-K244 HydrophobicContact CD1-CD 4.17Å; L70-K244 HydrophobicContact CG-CB 4.22Å
71	T	87.8	Confident	78.1	Confident	61 Å²	61	65.8 Å²	65.8	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	165.2	165.9	66.4	0	0	0	0	111.3	K73 E74 S75	T71-K73 PolarHBondContact O-N 3.14Å; T71-E74 VanDerWaalsContact CB-OE2 3.25Å; T71-E74 WeakPolarHBondContact CB-OE2 3.49Å; T71-E74 VanDerWaalsContact CG2-OE2 3.31Å; T71-E74 WeakPolarHBondContact CG2-OE2 3.18Å; T71-E74 PolarHBondContact N-OE2 2.97Å; T71-E74 PolarHBondContact O-N 3.48Å; T71-E74 PolarHBondContact OG1-N 3.23Å; T71-E74 PolarHBondContact OG1-OE2 2.91Å; T71-S75 PolarHBondContact O-N 3.16Å; T71-S75 PolarHBondContact O-OG 3.42Å
72	Y	82.3	Confident	79.8	Confident	91 Å²	91	66.3 Å²	66.3	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-48.8	-40.7	170.1	178.1	-87.3	0	0	0	113.2	S75 Q76 F221 P240	Y72-S75 WeakPolarHBondContact CA-OG 3.19Å; Y72-S75 PolarHBondContact O-OG 2.97Å; Y72-Q76 WeakPolarHBondContact O-CB 3.41Å; Y72-Q76 PolarHBondContact O-N 3.34Å; Y72-Q76 PolarHBondContact OH-OE1 3.16Å; Y72-F221 AromaticContact CD2-CD1 3.98Å; Y72-F221 HydrophobicContact CD2-CD1 3.98Å; Y72-F221 HydrophobicContact CD2-CD2 4.18Å; Y72-F221 AromaticContact CD2-CE1 3.64Å; Y72-F221 HydrophobicContact CD2-CE1 3.64Å; Y72-F221 AromaticContact CD2-CE2 3.86Å; Y72-F221 HydrophobicContact CD2-CE2 3.86Å; Y72-F221 HydrophobicContact CD2-CG 4.23Å; Y72-F221 AromaticContact CD2-CZ 3.57Å; Y72-F221 HydrophobicContact CD2-CZ 3.57Å; Y72-F221 HydrophobicContact CE2-CB 4.27Å; Y72-F221 AromaticContact CE2-CD1 3.71Å; Y72-F221 HydrophobicContact CE2-CD1 3.71Å; Y72-F221 AromaticContact CE2-CD2 3.61Å; Y72-F221 HydrophobicContact CE2-CD2 3.61Å; Y72-F221 AromaticContact CE2-CE1 3.86Å; Y72-F221 HydrophobicContact CE2-CE1 3.86Å; Y72-F221 AromaticContact CE2-CE2 3.75Å; Y72-F221 HydrophobicContact CE2-CE2 3.75Å; Y72-F221 AromaticContact CE2-CG 3.58Å; Y72-F221 HydrophobicContact CE2-CG 3.58Å; Y72-F221 AromaticContact CE2-CZ 3.87Å; Y72-F221 HydrophobicContact CE2-CZ 3.87Å; Y72-F221 HydrophobicContact CG-CZ 4.4Å; Y72-P240 PolarHBondContact N-O 3.13Å
73	K	84.2	Confident	81.3	Confident	171 Å²	171	64.9 Å²	64.9	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-68.4	-41.3	-179.3	-70	-177.8	178.3	178.4	0	112.5	T71 R77	T71-K73 PolarHBondContact O-N 3.14Å; K73-R77 PolarHBondContact O-N 3.02Å
74	E	86.5	Confident	82.8	Confident	71 Å²	71	67.7 Å²	67.7	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-75.7	-40.8	-177.3	-65.7	159.3	117.4	0	0	111.8	L70 T71 R77 V78	L70-E74 HydrophobicContact CB-CB 4.26Å; L70-E74 HydrophobicContact CD2-CB 4.35Å; T71-E74 VanDerWaalsContact CB-OE2 3.25Å; T71-E74 WeakPolarHBondContact CB-OE2 3.49Å; T71-E74 VanDerWaalsContact CG2-OE2 3.31Å; T71-E74 WeakPolarHBondContact CG2-OE2 3.18Å; T71-E74 PolarHBondContact N-OE2 2.97Å; T71-E74 PolarHBondContact O-N 3.48Å; T71-E74 PolarHBondContact OG1-N 3.23Å; T71-E74 PolarHBondContact OG1-OE2 2.91Å; E74-R77 WeakPolarHBondContact O-CB 3.48Å; E74-R77 PolarHBondContact O-N 3.46Å; E74-V78 WeakPolarHBondContact O-CG2 3.42Å; E74-V78 PolarHBondContact O-N 3.2Å
75	S	85.6	Confident	84.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-41	172.3	49.1	0	0	0	0	111.7	T71 Y72 R77 V78 L79 F221	T71-S75 PolarHBondContact O-N 3.16Å; T71-S75 PolarHBondContact O-OG 3.42Å; Y72-S75 WeakPolarHBondContact CA-OG 3.19Å; Y72-S75 PolarHBondContact O-OG 2.97Å; S75-R77 VanDerWaalsContact C-N 3.33Å; S75-R77 PolarHBondContact O-N 2.86Å; S75-V78 PolarHBondContact O-N 2.9Å; S75-L79 VanDerWaalsContact O-CG 3.29Å; S75-L79 WeakPolarHBondContact O-CG 3.3Å; S75-L79 PolarHBondContact O-N 3.36Å; S75-F221 WeakPolarHBondContact OG-CZ 3.33Å
76	Q	84.5	Confident	85	Confident	89 Å²	89	63.6 Å²	63.6	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-40.6	170.7	-174.9	179.3	-25.3	0	0	111.9	Y72 T80 F221	Y72-Q76 WeakPolarHBondContact O-CB 3.41Å; Y72-Q76 PolarHBondContact O-N 3.34Å; Y72-Q76 PolarHBondContact OH-OE1 3.16Å; Q76-T80 WeakPolarHBondContact O-CB 3.35Å; Q76-T80 PolarHBondContact O-N 3Å; Q76-T80 PolarHBondContact O-OG1 3.49Å; Q76-F221 HydrophobicContact CB-CE2 4.44Å
77	R	86.5	Confident	85.5	Confident	145 Å²	145	57.9 Å²	57.9	55%	0.547	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-50.7	175.5	178.6	177.3	66.3	-156.7	-4.8	111.9	K73 E74 S75 L79 T80 E81	K73-R77 PolarHBondContact O-N 3.02Å; E74-R77 WeakPolarHBondContact O-CB 3.48Å; E74-R77 PolarHBondContact O-N 3.46Å; S75-R77 VanDerWaalsContact C-N 3.33Å; S75-R77 PolarHBondContact O-N 2.86Å; R77-L79 PolarHBondContact O-N 2.92Å; R77-T80 PolarHBondContact O-N 3.02Å; R77-T80 VanDerWaalsContact O-N 3.11Å; R77-E81 WeakPolarHBondContact CD-OE1 3.29Å; R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 WeakPolarHBondContact CG-OE1 3.45Å; R77-E81 IonicContact NE-OE1 2.76Å; R77-E81 WeakPolarHBondContact O-CG 3.43Å; R77-E81 PolarHBondContact O-N 3.3Å
78	V	86.1	Confident	85.6	Confident	23 Å²	23	60.1 Å²	60.1	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-48.9	178.9	171.2	0	0	0	0	111.2	L70 E74 S75 T80 E81 E82	L70-V78 HydrophobicContact CD1-CG2 4.49Å; E74-V78 WeakPolarHBondContact O-CG2 3.42Å; E74-V78 PolarHBondContact O-N 3.2Å; S75-V78 PolarHBondContact O-N 2.9Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 2.95Å; V78-E81 PolarHBondContact O-N 3.05Å; V78-E82 PolarHBondContact O-N 3.07Å; V78-E82 VanDerWaalsContact O-N 3.17Å
79	L	85.7	Confident	85.5	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-39.2	176.8	-67.4	168.5	0	0	0	111.7	S75 R77 V83 W106 F221 V225 L231	S75-L79 VanDerWaalsContact O-CG 3.29Å; S75-L79 WeakPolarHBondContact O-CG 3.3Å; S75-L79 PolarHBondContact O-N 3.36Å; R77-L79 PolarHBondContact O-N 2.92Å; L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 2.85Å; L79-W106 HydrophobicContact CB-CH2 4.21Å; L79-W106 HydrophobicContact CB-CZ3 4.1Å; L79-W106 HydrophobicContact CD2-CD2 4.13Å; L79-W106 HydrophobicContact CD2-CE3 3.75Å; L79-W106 HydrophobicContact CD2-CH2 3.64Å; L79-W106 HydrophobicContact CD2-CZ2 4Å; L79-W106 HydrophobicContact CD2-CZ3 3.47Å; L79-W106 VanDerWaalsContact CD2-CZ3 3.47Å; L79-W106 HydrophobicContact CG-CH2 4.47Å; L79-W106 HydrophobicContact CG-CZ3 4.4Å; L79-F221 HydrophobicContact CD1-CD2 4.42Å; L79-F221 HydrophobicContact CD1-CE2 4.22Å; L79-V225 HydrophobicContact CD1-CG2 4.17Å; L79-L231 HydrophobicContact CD2-CD1 3.84Å; L79-L231 HydrophobicContact CG-CD1 4.19Å
80	T	86.5	Confident	85	Confident	53 Å²	53	58 Å²	58	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-69.5	-36.6	177.7	-66.2	0	0	0	0	112.8	Q76 R77 V78 V83 N84	Q76-T80 WeakPolarHBondContact O-CB 3.35Å; Q76-T80 PolarHBondContact O-N 3Å; Q76-T80 PolarHBondContact O-OG1 3.49Å; R77-T80 PolarHBondContact O-N 3.02Å; R77-T80 VanDerWaalsContact O-N 3.11Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 2.95Å; T80-V83 PolarHBondContact O-N 3.25Å; T80-N84 WeakPolarHBondContact O-CB 3.42Å; T80-N84 PolarHBondContact O-N 3Å; T80-N84 PolarHBondContact O-ND2 3.43Å
81	E	87.6	Confident	84.7	Confident	102 Å²	102	66 Å²	66	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.8	-73.2	164.1	179.3	0	0	111.6	R77 V78 N84 T85	R77-E81 WeakPolarHBondContact CD-OE1 3.29Å; R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 WeakPolarHBondContact CG-OE1 3.45Å; R77-E81 IonicContact NE-OE1 2.76Å; R77-E81 WeakPolarHBondContact O-CG 3.43Å; R77-E81 PolarHBondContact O-N 3.3Å; V78-E81 PolarHBondContact O-N 3.05Å; E81-N84 PolarHBondContact O-N 3.3Å; E81-T85 WeakPolarHBondContact O-CB 3.46Å; E81-T85 PolarHBondContact O-N 3.41Å; E81-T85 PolarHBondContact O-OG1 2.85Å
82	E	85.1	Confident	84.2	Confident	36 Å²	36	64 Å²	64	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-68.8	-42.7	175.1	-67.8	176	177.6	0	0	112.1	V78 N84 T85 V86 V108 H228	V78-E82 PolarHBondContact O-N 3.07Å; V78-E82 VanDerWaalsContact O-N 3.17Å; E82-N84 PolarHBondContact O-N 3.01Å; E82-T85 WeakPolarHBondContact O-CB 3.47Å; E82-T85 PolarHBondContact O-N 2.88Å; E82-V86 PolarHBondContact O-N 3Å; E82-V108 HydrophobicContact CB-CG2 4.26Å; E82-V108 HydrophobicContact CG-CG2 4.38Å; E82-H228 IonicContact OE1-NE2 2.66Å; E82-H228 IonicContact OE2-CD2 2.68Å; E82-H228 IonicContact OE2-NE2 2.68Å; E82-H228 PolarHBondContact OE2-NE2 2.68Å; E82-H228 VanDerWaalsContact OE2-NE2 3.08Å
83	V	86.7	Confident	84.1	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-57.4	-46.1	172.5	165	0	0	0	0	111.4	L79 T80 T85 V86 A87 P94 A97 K98 L101 W106	L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 2.85Å; T80-V83 PolarHBondContact O-N 3.25Å; V83-T85 VanDerWaalsContact C-N 3.33Å; V83-T85 PolarHBondContact O-N 3.2Å; V83-V86 PolarHBondContact O-N 3.04Å; V83-A87 WeakPolarHBondContact O-CB 3.38Å; V83-A87 PolarHBondContact O-N 3.14Å; V83-P94 HydrophobicContact CG1-CB 3.84Å; V83-A97 HydrophobicContact CG1-CB 4.33Å; V83-K98 HydrophobicContact CB-CG 4.43Å; V83-K98 HydrophobicContact CG1-CG 3.99Å; V83-K98 HydrophobicContact CG2-CG 3.48Å; V83-K98 VanDerWaalsContact CG2-CG 3.48Å; V83-L101 HydrophobicContact CB-CD1 4.23Å; V83-L101 HydrophobicContact CG2-CD1 3.58Å; V83-W106 HydrophobicContact CG2-CH2 3.83Å; V83-W106 HydrophobicContact CG2-CZ3 3.82Å
84	N	86.4	Confident	84	Confident	76 Å²	76	56.9 Å²	56.9	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-65.3	-37.6	179.1	-73.4	-19	0	0	0	111.9	T80 E81 E82 T88	T80-N84 WeakPolarHBondContact O-CB 3.42Å; T80-N84 PolarHBondContact O-N 3Å; T80-N84 PolarHBondContact O-ND2 3.43Å; E81-N84 PolarHBondContact O-N 3.3Å; E82-N84 PolarHBondContact O-N 3.01Å; N84-T88 VanDerWaalsContact O-CB 3.3Å; N84-T88 WeakPolarHBondContact O-CB 3.43Å; N84-T88 PolarHBondContact O-N 3.49Å; N84-T88 PolarHBondContact O-OG1 3.43Å
85	T	85.8	Confident	83.5	Confident	74 Å²	74	53.6 Å²	53.6	45%	0.454	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-49.2	175.5	-59.1	0	0	0	0	111.1	E81 E82 V83 A89	E81-T85 WeakPolarHBondContact O-CB 3.46Å; E81-T85 PolarHBondContact O-N 3.41Å; E81-T85 PolarHBondContact O-OG1 2.85Å; E82-T85 WeakPolarHBondContact O-CB 3.47Å; E82-T85 PolarHBondContact O-N 2.88Å; V83-T85 VanDerWaalsContact C-N 3.33Å; V83-T85 PolarHBondContact O-N 3.2Å; T85-A89 PolarHBondContact O-N 2.85Å; T85-A89 VanDerWaalsContact O-N 3.13Å
86	V	83.9	Confident	83.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.4	-40.7	179	170.9	0	0	0	0	112.1	E82 V83 T88 A89 L90 A97 L101 V108 I111	E82-V86 PolarHBondContact O-N 3Å; V83-V86 PolarHBondContact O-N 3.04Å; V86-T88 PolarHBondContact O-N 3.01Å; V86-A89 PolarHBondContact O-N 3.15Å; V86-L90 HydrophobicContact CG1-CD1 3.63Å; V86-L90 HydrophobicContact CG1-CG 4.5Å; V86-L90 WeakPolarHBondContact O-CB 3.42Å; V86-L90 PolarHBondContact O-N 3.24Å; V86-A97 HydrophobicContact CB-CB 4.45Å; V86-A97 HydrophobicContact CG1-CB 4.07Å; V86-L101 HydrophobicContact CB-CD1 4.18Å; V86-L101 HydrophobicContact CB-CG 4.48Å; V86-L101 HydrophobicContact CG1-CD1 4.5Å; V86-L101 HydrophobicContact CG1-CG 4.43Å; V86-L101 HydrophobicContact CG2-CD1 4.23Å; V86-L101 HydrophobicContact CG2-CD2 4.06Å; V86-L101 HydrophobicContact CG2-CG 4.26Å; V86-V108 HydrophobicContact CG2-CG1 4Å; V86-V108 HydrophobicContact CG2-CG2 4.26Å; V86-I111 HydrophobicContact CG1-CG2 4.08Å
87	A	85.1	Confident	82.9	Confident	10 Å²	10	50.1 Å²	50.1	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176.5	0	0	0	0	0	112.1	V83 K91 V92 A97	V83-A87 WeakPolarHBondContact O-CB 3.38Å; V83-A87 PolarHBondContact O-N 3.14Å; A87-K91 VanDerWaalsContact O-CA 3.28Å; A87-K91 WeakPolarHBondContact O-CA 3.42Å; A87-K91 PolarHBondContact O-N 3.33Å; A87-V92 PolarHBondContact O-N 3.42Å; A87-A97 HydrophobicContact CB-CB 3.81Å
88	T	85.3	Confident	82.6	Confident	110 Å²	110	44.9 Å²	44.9	68%	0.675	25%	0.251	S	S	*	.	H	α-helix	trans	-65.7	-42.7	177.3	-56.9	0	0	0	0	111.7	N84 V86	N84-T88 VanDerWaalsContact O-CB 3.3Å; N84-T88 WeakPolarHBondContact O-CB 3.43Å; N84-T88 PolarHBondContact O-N 3.49Å; N84-T88 PolarHBondContact O-OG1 3.43Å; V86-T88 PolarHBondContact O-N 3.01Å
89	A	82.5	Confident	82.2	Confident	46 Å²	46	44 Å²	44	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-44.6	179.2	0	0	0	0	0	113.1	T85 V86 L112	T85-A89 PolarHBondContact O-N 2.85Å; T85-A89 VanDerWaalsContact O-N 3.13Å; V86-A89 PolarHBondContact O-N 3.15Å; A89-L112 HydrophobicContact CB-CD2 3.34Å
90	L	75.3	Confident	81.8	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-82.5	-13.9	-179.9	-74.9	168.1	0	0	0	113.9	V86 V92 I100 I111 C115 L122	V86-L90 HydrophobicContact CG1-CD1 3.63Å; V86-L90 HydrophobicContact CG1-CG 4.5Å; V86-L90 WeakPolarHBondContact O-CB 3.42Å; V86-L90 PolarHBondContact O-N 3.24Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 HydrophobicContact CB-CG1 4.01Å; L90-V92 HydrophobicContact CB-CG2 3.89Å; L90-V92 HydrophobicContact CD1-CG2 4.49Å; L90-V92 PolarHBondContact O-N 2.82Å; L90-I100 HydrophobicContact CD1-CD1 3.79Å; L90-I100 HydrophobicContact CD1-CG2 4.35Å; L90-I111 HydrophobicContact CD1-CG2 4.28Å; L90-C115 HydrophobicContact CD2-CB 3.99Å; L90-C115 WeakPolarHBondContact CD2-SG 3.48Å; L90-L122 HydrophobicContact CD1-CD2 4.42Å; L90-L122 HydrophobicContact CD2-CD2 4.43Å
91	K	78.8	Confident	81.6	Confident	191 Å²	191	41.1 Å²	41.1	83%	0.83	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	42.2	-172.3	-55	-179.6	-177.2	178.1	0	113	A87	A87-K91 VanDerWaalsContact O-CA 3.28Å; A87-K91 WeakPolarHBondContact O-CA 3.42Å; A87-K91 PolarHBondContact O-N 3.33Å
92	V	77.6	Confident	81.2	Confident	20 Å²	20	37.1 Å²	37.1	12%	0.121	21%	0.21	C	C	.	.			trans	-111.9	165.2	177.8	-61.4	0	0	0	0	111	A87 L90 V96 A97 L123 T130	A87-V92 PolarHBondContact O-N 3.42Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 HydrophobicContact CB-CG1 4.01Å; L90-V92 HydrophobicContact CB-CG2 3.89Å; L90-V92 HydrophobicContact CD1-CG2 4.49Å; L90-V92 PolarHBondContact O-N 2.82Å; V92-V96 HydrophobicContact CB-CB 4.08Å; V92-V96 HydrophobicContact CB-CG1 3.8Å; V92-V96 HydrophobicContact CG1-CG1 4.08Å; V92-V96 HydrophobicContact CG2-CB 4.27Å; V92-V96 HydrophobicContact CG2-CG1 4.01Å; V92-A97 HydrophobicContact CG2-CB 3.96Å; V92-L123 HydrophobicContact CG1-CD2 4.35Å; V92-T130 HydrophobicContact CG1-CG2 3.7Å
93	S	79.8	Confident	80.9	Confident	52 Å²	52	38.8 Å²	38.8	36%	0.364	22%	0.218	S	C	.	.			trans	-66.9	151.5	172	66	0	0	0	0	111.2	S95 V96 A97	S93-S95 PolarHBondContact O-N 2.81Å; S93-S95 VanDerWaalsContact O-N 3.17Å; S93-V96 PolarHBondContact O-N 2.97Å; S93-V96 WeakPolarHBondContact OG-CG2 3.44Å; S93-A97 PolarHBondContact O-N 3.2Å
94	P	81.9	Confident	80.4	Confident	60 Å²	60	39.9 Å²	39.9	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-53.3	-38	179.2	-28.8	36.7	0	0	0	113.3	V83 V96 A97 K98	V83-P94 HydrophobicContact CG1-CB 3.84Å; P94-V96 VanDerWaalsContact C-N 3.33Å; P94-V96 PolarHBondContact O-N 3.23Å; P94-A97 WeakPolarHBondContact O-CB 3.34Å; P94-A97 PolarHBondContact O-N 2.66Å; P94-K98 WeakPolarHBondContact O-CG 3.43Å; P94-K98 PolarHBondContact O-N 3.24Å
95	S	77.4	Confident	80	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-66.5	-30.9	177.8	-54	0	0	0	0	113.7	S93 L99 E200 D201	S93-S95 PolarHBondContact O-N 2.81Å; S93-S95 VanDerWaalsContact O-N 3.17Å; S95-L99 WeakPolarHBondContact O-CG 3.38Å; S95-L99 PolarHBondContact O-N 2.61Å; S95-E200 VanDerWaalsContact OG-CG 3.25Å; S95-E200 WeakPolarHBondContact OG-CG 3.45Å; S95-D201 WeakPolarHBondContact CB-OD2 3.42Å; S95-D201 PolarHBondContact OG-OD1 2.96Å; S95-D201 PolarHBondContact OG-OD2 3.35Å
96	V	76.4	Confident	79.8	Confident	15 Å²	15	38.3 Å²	38.3	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-75.4	-41.6	170.9	168.4	0	0	0	0	110.6	V92 S93 P94 K98 L99 I100 V128 P199	V92-V96 HydrophobicContact CB-CB 4.08Å; V92-V96 HydrophobicContact CB-CG1 3.8Å; V92-V96 HydrophobicContact CG1-CG1 4.08Å; V92-V96 HydrophobicContact CG2-CB 4.27Å; V92-V96 HydrophobicContact CG2-CG1 4.01Å; S93-V96 PolarHBondContact O-N 2.97Å; S93-V96 WeakPolarHBondContact OG-CG2 3.44Å; P94-V96 VanDerWaalsContact C-N 3.33Å; P94-V96 PolarHBondContact O-N 3.23Å; V96-K98 VanDerWaalsContact C-N 3.28Å; V96-K98 PolarHBondContact O-N 2.66Å; V96-L99 PolarHBondContact O-N 2.91Å; V96-I100 HydrophobicContact CG1-CD1 3.92Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.49Å; V96-I100 VanDerWaalsContact O-N 3.13Å; V96-V128 HydrophobicContact CB-CG1 4.25Å; V96-V128 HydrophobicContact CG1-CB 4.28Å; V96-V128 HydrophobicContact CG1-CG1 3.63Å; V96-V128 HydrophobicContact CG2-CG1 3.78Å; V96-P199 HydrophobicContact CG2-CG 4.34Å
97	A	80.7	Confident	79.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-38.4	174.8	0	0	0	0	0	112.3	V83 V86 A87 V92 S93 P94 I100 L101	V83-A97 HydrophobicContact CG1-CB 4.33Å; V86-A97 HydrophobicContact CB-CB 4.45Å; V86-A97 HydrophobicContact CG1-CB 4.07Å; A87-A97 HydrophobicContact CB-CB 3.81Å; V92-A97 HydrophobicContact CG2-CB 3.96Å; S93-A97 PolarHBondContact O-N 3.2Å; P94-A97 WeakPolarHBondContact O-CB 3.34Å; P94-A97 PolarHBondContact O-N 2.66Å; A97-I100 PolarHBondContact O-N 3.01Å; A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 WeakPolarHBondContact O-CG 3.22Å; A97-L101 PolarHBondContact O-N 3.07Å
98	K	81.1	Confident	79.2	Confident	35 Å²	35	42.4 Å²	42.4	15%	0.152	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-47.3	172.5	-76.8	168.6	166.4	-171.1	0	112.9	V83 P94 V96 I100 L101 V102 E200 Y224	V83-K98 HydrophobicContact CB-CG 4.43Å; V83-K98 HydrophobicContact CG1-CG 3.99Å; V83-K98 HydrophobicContact CG2-CG 3.48Å; V83-K98 VanDerWaalsContact CG2-CG 3.48Å; P94-K98 WeakPolarHBondContact O-CG 3.43Å; P94-K98 PolarHBondContact O-N 3.24Å; V96-K98 VanDerWaalsContact C-N 3.28Å; V96-K98 PolarHBondContact O-N 2.66Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 3.34Å; K98-L101 PolarHBondContact O-N 2.94Å; K98-V102 WeakPolarHBondContact O-CG2 3.14Å; K98-V102 PolarHBondContact O-N 3.36Å; K98-E200 WeakPolarHBondContact CD-OE2 3.12Å; K98-E200 IonicContact NZ-OE1 3.31Å; K98-E200 PolarHBondContact NZ-OE1 2.95Å; K98-E200 IonicContact NZ-OE2 3.92Å; K98-E200 PolarHBondContact NZ-OE2 3.42Å; K98-Y224 HydrophobicContact CB-CE1 4.24Å; K98-Y224 HydrophobicContact CD-CE2 4.13Å
99	L	77.7	Confident	78.8	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-41.9	177.6	-65.9	177.3	0	0	0	111.6	S95 V96 H103 V128 V185 R197 P199	S95-L99 WeakPolarHBondContact O-CG 3.38Å; S95-L99 PolarHBondContact O-N 2.61Å; V96-L99 PolarHBondContact O-N 2.91Å; L99-H103 PolarHBondContact O-N 3.18Å; L99-H103 VanDerWaalsContact O-N 3.16Å; L99-V128 HydrophobicContact CB-CG2 3.91Å; L99-V128 HydrophobicContact CD1-CG2 3.66Å; L99-V128 HydrophobicContact CG-CG2 4.44Å; L99-V185 HydrophobicContact CD2-CG1 3.8Å; L99-R197 HydrophobicContact CD1-CB 4.09Å; L99-R197 HydrophobicContact CD2-CB 4.25Å; L99-P199 HydrophobicContact CD1-CG 4.2Å
100	I	76.6	Confident	78.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-46.9	176.8	-64.9	168.3	0	0	0	111	L90 V96 A97 K98 V102 H103 F104 I111 L122 L123 A126	L90-I100 HydrophobicContact CD1-CD1 3.79Å; L90-I100 HydrophobicContact CD1-CG2 4.35Å; V96-I100 HydrophobicContact CG1-CD1 3.92Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.49Å; V96-I100 VanDerWaalsContact O-N 3.13Å; A97-I100 PolarHBondContact O-N 3.01Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 3.34Å; I100-V102 PolarHBondContact O-N 3.37Å; I100-H103 PolarHBondContact O-N 3.32Å; I100-F104 HydrophobicContact CG2-CD2 3.96Å; I100-F104 HydrophobicContact CG2-CE2 4.3Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.11Å; I100-I111 HydrophobicContact CG2-CG2 4.11Å; I100-L122 HydrophobicContact CD1-CD2 4.29Å; I100-L122 HydrophobicContact CG2-CD2 3.67Å; I100-L123 HydrophobicContact CD1-CD2 3.97Å; I100-A126 HydrophobicContact CB-CB 4.45Å; I100-A126 HydrophobicContact CG1-CB 3.74Å
101	L	81.1	Confident	78.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-45.1	178.7	-86	159.5	0	0	0	112.2	V83 V86 A97 K98 H103 F104 H105 W106 V108 I111	V83-L101 HydrophobicContact CB-CD1 4.23Å; V83-L101 HydrophobicContact CG2-CD1 3.58Å; V86-L101 HydrophobicContact CB-CD1 4.18Å; V86-L101 HydrophobicContact CB-CG 4.48Å; V86-L101 HydrophobicContact CG1-CD1 4.5Å; V86-L101 HydrophobicContact CG1-CG 4.43Å; V86-L101 HydrophobicContact CG2-CD1 4.23Å; V86-L101 HydrophobicContact CG2-CD2 4.06Å; V86-L101 HydrophobicContact CG2-CG 4.26Å; A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 WeakPolarHBondContact O-CG 3.22Å; A97-L101 PolarHBondContact O-N 3.07Å; K98-L101 PolarHBondContact O-N 2.94Å; L101-H103 VanDerWaalsContact C-N 3.34Å; L101-H103 PolarHBondContact O-N 2.82Å; L101-F104 CarbonylContact O-C 3.56Å; L101-F104 PolarHBondContact O-N 3.05Å; L101-H105 PolarHBondContact O-N 3.48Å; L101-H105 VanDerWaalsContact O-N 3.1Å; L101-W106 HydrophobicContact CB-CD2 3.91Å; L101-W106 HydrophobicContact CB-CE3 4.03Å; L101-W106 HydrophobicContact CB-CG 4.4Å; L101-W106 HydrophobicContact CB-CH2 4.33Å; L101-W106 HydrophobicContact CB-CZ2 4.25Å; L101-W106 HydrophobicContact CB-CZ3 4.25Å; L101-W106 HydrophobicContact CD1-CE3 4.05Å; L101-W106 HydrophobicContact CD1-CH2 4.36Å; L101-W106 HydrophobicContact CD1-CZ3 3.84Å; L101-W106 HydrophobicContact CD2-CB 4.34Å; L101-W106 HydrophobicContact CD2-CD2 4.22Å; L101-W106 HydrophobicContact CD2-CE3 3.9Å; L101-W106 HydrophobicContact CD2-CG 4.46Å; L101-W106 HydrophobicContact CG-CE3 4.22Å; L101-W106 HydrophobicContact CG-CZ3 4.44Å; L101-W106 PolarHBondContact O-N 3.47Å; L101-V108 HydrophobicContact CD2-CG2 4Å; L101-I111 HydrophobicContact CD2-CD1 3.65Å; L101-I111 HydrophobicContact CG-CD1 4.15Å
102	V	80.9	Confident	78.5	Confident	18 Å²	18	34.8 Å²	34.8	11%	0.109	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-41.6	175.3	173.1	0	0	0	0	111.7	K98 I100 F104 H105 W106 V185 Y224	K98-V102 WeakPolarHBondContact O-CG2 3.14Å; K98-V102 PolarHBondContact O-N 3.36Å; I100-V102 PolarHBondContact O-N 3.37Å; V102-F104 VanDerWaalsContact C-N 3.31Å; V102-F104 PolarHBondContact O-N 2.94Å; V102-H105 PolarHBondContact O-N 3.19Å; V102-W106 HydrophobicContact CG2-CZ2 4.14Å; V102-V185 HydrophobicContact CB-CG1 4.19Å; V102-V185 HydrophobicContact CG1-CG1 3.91Å; V102-V185 HydrophobicContact CG2-CG1 4.2Å; V102-V185 HydrophobicContact CG2-CG2 4.42Å; V102-Y224 HydrophobicContact CG2-CD1 3.43Å; V102-Y224 VanDerWaalsContact CG2-CD1 3.43Å; V102-Y224 HydrophobicContact CG2-CE1 3.75Å
103	H	77.8	Confident	78.4	Confident	71 Å²	71	37.9 Å²	37.9	33%	0.329	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-34.3	178.9	-170.9	-102.1	0	0	0	112.9	L99 I100 L101 D125	L99-H103 PolarHBondContact O-N 3.18Å; L99-H103 VanDerWaalsContact O-N 3.16Å; I100-H103 PolarHBondContact O-N 3.32Å; L101-H103 VanDerWaalsContact C-N 3.34Å; L101-H103 PolarHBondContact O-N 2.82Å; H103-D125 PolarHBondContact CE1-O 3.2Å
104	F	76.1	Confident	77.8	Confident	26 Å²	26	41.1 Å²	41.1	11%	0.114	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	24.5	178.9	-68.5	-74.5	0	0	0	113.5	I100 L101 V102 W106 Q107 I111 L122	I100-F104 HydrophobicContact CG2-CD2 3.96Å; I100-F104 HydrophobicContact CG2-CE2 4.3Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.11Å; L101-F104 CarbonylContact O-C 3.56Å; L101-F104 PolarHBondContact O-N 3.05Å; V102-F104 VanDerWaalsContact C-N 3.31Å; V102-F104 PolarHBondContact O-N 2.94Å; F104-W106 PolarHBondContact O-N 3.07Å; F104-W106 VanDerWaalsContact O-N 3.09Å; F104-Q107 WeakPolarHBondContact O-CB 3.42Å; F104-Q107 PolarHBondContact O-N 2.89Å; F104-I111 HydrophobicContact CB-CD1 3.86Å; F104-I111 HydrophobicContact CB-CG1 3.67Å; F104-I111 HydrophobicContact CD2-CG1 4.13Å; F104-I111 HydrophobicContact CG-CG1 4.03Å; F104-L122 HydrophobicContact CE2-CD2 4.21Å; F104-L122 HydrophobicContact CE2-CG 4.04Å; F104-L122 HydrophobicContact CZ-CG 4.36Å
105	H	79.1	Confident	77	Confident	114 Å²	114	39.7 Å²	39.7	53%	0.528	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	35.6	176.7	-66.2	-69.2	0	0	0	115.2	L101 V102 Q107 S227 F229	L101-H105 PolarHBondContact O-N 3.48Å; L101-H105 VanDerWaalsContact O-N 3.1Å; V102-H105 PolarHBondContact O-N 3.19Å; H105-Q107 PolarHBondContact O-N 2.88Å; H105-S227 CarbonylContact C-O 3.48Å; H105-S227 VanDerWaalsContact CA-O 3.23Å; H105-S227 WeakPolarHBondContact CA-O 3.48Å; H105-S227 PolarHBondContact ND1-O 3.26Å; H105-F229 WeakPolarHBondContact O-CD1 3.25Å
106	W	80.9	Confident	76.4	Confident	2 Å²	2	47 Å²	47	1%	0.008	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	22.9	-178.2	-59.5	72.3	0	0	0	114.8	L79 V83 L101 V102 F104 V108 Y224 S227 H228 F229	L79-W106 HydrophobicContact CB-CH2 4.21Å; L79-W106 HydrophobicContact CB-CZ3 4.1Å; L79-W106 HydrophobicContact CD2-CD2 4.13Å; L79-W106 HydrophobicContact CD2-CE3 3.75Å; L79-W106 HydrophobicContact CD2-CH2 3.64Å; L79-W106 HydrophobicContact CD2-CZ2 4Å; L79-W106 HydrophobicContact CD2-CZ3 3.47Å; L79-W106 VanDerWaalsContact CD2-CZ3 3.47Å; L79-W106 HydrophobicContact CG-CH2 4.47Å; L79-W106 HydrophobicContact CG-CZ3 4.4Å; V83-W106 HydrophobicContact CG2-CH2 3.83Å; V83-W106 HydrophobicContact CG2-CZ3 3.82Å; L101-W106 HydrophobicContact CB-CD2 3.91Å; L101-W106 HydrophobicContact CB-CE3 4.03Å; L101-W106 HydrophobicContact CB-CG 4.4Å; L101-W106 HydrophobicContact CB-CH2 4.33Å; L101-W106 HydrophobicContact CB-CZ2 4.25Å; L101-W106 HydrophobicContact CB-CZ3 4.25Å; L101-W106 HydrophobicContact CD1-CE3 4.05Å; L101-W106 HydrophobicContact CD1-CH2 4.36Å; L101-W106 HydrophobicContact CD1-CZ3 3.84Å; L101-W106 HydrophobicContact CD2-CB 4.34Å; L101-W106 HydrophobicContact CD2-CD2 4.22Å; L101-W106 HydrophobicContact CD2-CE3 3.9Å; L101-W106 HydrophobicContact CD2-CG 4.46Å; L101-W106 HydrophobicContact CG-CE3 4.22Å; L101-W106 HydrophobicContact CG-CZ3 4.44Å; L101-W106 PolarHBondContact O-N 3.47Å; V102-W106 HydrophobicContact CG2-CZ2 4.14Å; F104-W106 PolarHBondContact O-N 3.07Å; F104-W106 VanDerWaalsContact O-N 3.09Å; W106-V108 VanDerWaalsContact C-N 3.28Å; W106-V108 PolarHBondContact O-N 3.45Å; W106-Y224 HydrophobicContact CH2-CG 4.46Å; W106-Y224 AromaticContact CZ2-CD1 3.87Å; W106-Y224 HydrophobicContact CZ2-CD1 3.87Å; W106-Y224 AromaticContact CZ2-CG 3.88Å; W106-Y224 HydrophobicContact CZ2-CG 3.88Å; W106-Y224 PolarHBondContact NE1-O 2.92Å; W106-S227 PolarHBondContact NE1-OG 2.66Å; W106-H228 HydrophobicContact CB-CB 4.16Å; W106-H228 VanDerWaalsContact CB-CD2 3.43Å; W106-H228 WeakPolarHBondContact CB-CD2 3.34Å; W106-H228 VanDerWaalsContact CD1-CA 3.44Å; W106-H228 HydrophobicContact CD2-CB 4.31Å; W106-H228 AromaticContact CD2-CD2 3.57Å; W106-H228 AromaticContact CE3-CD2 3.72Å; W106-H228 HydrophobicContact CG-CB 3.76Å; W106-H228 AromaticContact CG-CD2 3.43Å; W106-H228 VanDerWaalsContact CG-CD2 3.43Å; W106-H228 AromaticContact CG-CG 3.78Å; W106-F229 HydrophobicContact CB-CD1 4.44Å
107	Q	78.3	Confident	76	Confident	65 Å²	65	51.5 Å²	51.5	30%	0.304	26%	0.263	S	S	.	.			trans	-80.9	72.2	178.8	-60.9	-174.7	5.2	0	0	111.5	F104 H105 S109 Q110 I111 F229	F104-Q107 WeakPolarHBondContact O-CB 3.42Å; F104-Q107 PolarHBondContact O-N 2.89Å; H105-Q107 PolarHBondContact O-N 2.88Å; Q107-S109 PolarHBondContact O-N 3.41Å; Q107-S109 VanDerWaalsContact O-N 3.11Å; Q107-Q110 HydrophobicContact CB-CB 4.39Å; Q107-Q110 HydrophobicContact CB-CG 4.44Å; Q107-Q110 PolarHBondContact O-N 3.25Å; Q107-I111 PolarHBondContact O-N 3.43Å; Q107-I111 VanDerWaalsContact O-N 3.15Å; Q107-F229 HydrophobicContact CG-CD1 4.36Å
108	V	78.6	Confident	75	Confident	31 Å²	31	53 Å²	53	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-46.5	-43.1	-175.9	178.1	0	0	0	0	112.9	E82 V86 L101 W106 I111 L112	E82-V108 HydrophobicContact CB-CG2 4.26Å; E82-V108 HydrophobicContact CG-CG2 4.38Å; V86-V108 HydrophobicContact CG2-CG1 4Å; V86-V108 HydrophobicContact CG2-CG2 4.26Å; L101-V108 HydrophobicContact CD2-CG2 4Å; W106-V108 VanDerWaalsContact C-N 3.28Å; W106-V108 PolarHBondContact O-N 3.45Å; V108-I111 PolarHBondContact O-N 3.47Å; V108-L112 HydrophobicContact CG1-CD1 3.78Å; V108-L112 HydrophobicContact CG1-CG 4.2Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.28Å; V108-L112 WeakPolarHBondContact O-CG 3.07Å; V108-L112 PolarHBondContact O-N 3.01Å
109	S	77	Confident	74	Confident	77 Å²	77	54.4 Å²	54.4	54%	0.538	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-48.8	178.2	50.4	0	0	0	0	112.9	Q107 I111 L112 D113	Q107-S109 PolarHBondContact O-N 3.41Å; Q107-S109 VanDerWaalsContact O-N 3.11Å; S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact O-N 3.06Å; S109-L112 PolarHBondContact O-N 3.48Å; S109-D113 PolarHBondContact O-N 3.29Å
110	Q	77	Confident	73.1	Confident	87 Å²	87	57.9 Å²	57.9	41%	0.407	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-35	178.1	-64.9	-160.1	34	0	0	112.5	Q107 R114	Q107-Q110 HydrophobicContact CB-CB 4.39Å; Q107-Q110 HydrophobicContact CB-CG 4.44Å; Q107-Q110 PolarHBondContact O-N 3.25Å; Q110-R114 VanDerWaalsContact O-CB 3.3Å; Q110-R114 WeakPolarHBondContact O-CB 3.3Å; Q110-R114 VanDerWaalsContact O-CG 3.27Å; Q110-R114 WeakPolarHBondContact O-CG 3.49Å; Q110-R114 PolarHBondContact O-N 3.22Å
111	I	75.4	Confident	72.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-46.9	174.8	-60.8	167.2	0	0	0	109.8	V86 L90 I100 L101 F104 Q107 V108 S109 C115 L122	V86-I111 HydrophobicContact CG1-CG2 4.08Å; L90-I111 HydrophobicContact CD1-CG2 4.28Å; I100-I111 HydrophobicContact CG2-CG2 4.11Å; L101-I111 HydrophobicContact CD2-CD1 3.65Å; L101-I111 HydrophobicContact CG-CD1 4.15Å; F104-I111 HydrophobicContact CB-CD1 3.86Å; F104-I111 HydrophobicContact CB-CG1 3.67Å; F104-I111 HydrophobicContact CD2-CG1 4.13Å; F104-I111 HydrophobicContact CG-CG1 4.03Å; Q107-I111 PolarHBondContact O-N 3.43Å; Q107-I111 VanDerWaalsContact O-N 3.15Å; V108-I111 PolarHBondContact O-N 3.47Å; S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact O-N 3.06Å; I111-C115 WeakPolarHBondContact O-CB 3.47Å; I111-C115 PolarHBondContact O-N 3.38Å; I111-L122 HydrophobicContact CG2-CD1 4.29Å
112	L	76.1	Confident	71.2	Confident	49 Å²	49	63.9 Å²	63.9	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-38.6	179.1	-69.4	175	0	0	0	112.6	A89 V108 S109 C115 K116	A89-L112 HydrophobicContact CB-CD2 3.34Å; V108-L112 HydrophobicContact CG1-CD1 3.78Å; V108-L112 HydrophobicContact CG1-CG 4.2Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.28Å; V108-L112 WeakPolarHBondContact O-CG 3.07Å; V108-L112 PolarHBondContact O-N 3.01Å; S109-L112 PolarHBondContact O-N 3.48Å; L112-C115 WeakPolarHBondContact O-CB 3.36Å; L112-C115 PolarHBondContact O-N 2.8Å; L112-K116 WeakPolarHBondContact O-CG 3.49Å; L112-K116 PolarHBondContact O-N 3.42Å
113	D	75.5	Confident	70.2	Confident	85 Å²	85	64.2 Å²	64.2	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-72.9	-41.5	177.8	-71.7	-29.3	0	0	0	112.4	S109 C115 K116 S117	S109-D113 PolarHBondContact O-N 3.29Å; D113-C115 VanDerWaalsContact C-N 3.29Å; D113-C115 PolarHBondContact O-N 3.13Å; D113-K116 PolarHBondContact O-N 2.93Å; D113-K116 IonicContact OD1-NZ 2.91Å; D113-K116 PolarHBondContact OD1-NZ 3.37Å; D113-S117 PolarHBondContact O-N 3.29Å
114	R	68.7	Low	69.4	Low	120 Å²	120	65.5 Å²	65.5	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-35.2	171.1	-70.9	178.4	-176.6	-131.5	4.9	111.9	Q110 K116 S117 S118 L122	Q110-R114 VanDerWaalsContact O-CB 3.3Å; Q110-R114 WeakPolarHBondContact O-CB 3.3Å; Q110-R114 VanDerWaalsContact O-CG 3.27Å; Q110-R114 WeakPolarHBondContact O-CG 3.49Å; Q110-R114 PolarHBondContact O-N 3.22Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 2.89Å; R114-S117 PolarHBondContact O-N 3.45Å; R114-S118 PolarHBondContact O-N 3.2Å; R114-L122 HydrophobicContact CB-CD1 3.79Å
115	C	65	Low	68.5	Low	29 Å²	29	68.2 Å²	68.2	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-37.2	174	178.5	0	0	0	0	112.9	L90 I111 L112 D113 S117 L122	L90-C115 HydrophobicContact CD2-CB 3.99Å; L90-C115 WeakPolarHBondContact CD2-SG 3.48Å; I111-C115 WeakPolarHBondContact O-CB 3.47Å; I111-C115 PolarHBondContact O-N 3.38Å; L112-C115 WeakPolarHBondContact O-CB 3.36Å; L112-C115 PolarHBondContact O-N 2.8Å; D113-C115 VanDerWaalsContact C-N 3.29Å; D113-C115 PolarHBondContact O-N 3.13Å; C115-S117 VanDerWaalsContact C-N 3.28Å; C115-S117 PolarHBondContact O-N 2.88Å; C115-L122 HydrophobicContact CB-CD1 4.46Å
116	K	65.4	Low	67.3	Low	158 Å²	158	62.8 Å²	62.8	69%	0.687	35%	0.345	S	S	*	.	H	α-helix	trans	-65.8	-31.7	175.7	-66.2	161.7	-160.4	168.8	0	112.1	L112 D113 R114	L112-K116 WeakPolarHBondContact O-CG 3.49Å; L112-K116 PolarHBondContact O-N 3.42Å; D113-K116 PolarHBondContact O-N 2.93Å; D113-K116 IonicContact OD1-NZ 2.91Å; D113-K116 PolarHBondContact OD1-NZ 3.37Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 2.89Å
117	S	66	Low	66.1	Low	109 Å²	109	66 Å²	66	76%	0.762	36%	0.362	S	S	*	.	H	α-helix	trans	-89.8	-42.5	-177	-59.5	0	0	0	0	114	D113 R114 C115	D113-S117 PolarHBondContact O-N 3.29Å; R114-S117 PolarHBondContact O-N 3.45Å; C115-S117 VanDerWaalsContact C-N 3.28Å; C115-S117 PolarHBondContact O-N 2.88Å
118	S	61	Low	65	Low	32 Å²	32	63.1 Å²	63.1	22%	0.224	35%	0.349	C	S	.	.			trans	-162.7	89.2	-175.5	-169.1	0	0	0	0	112.7	R114 Q121 L122	R114-S118 PolarHBondContact O-N 3.2Å; S118-Q121 VanDerWaalsContact CB-OE1 3.24Å; S118-Q121 WeakPolarHBondContact OG-CB 3.43Å; S118-Q121 VanDerWaalsContact OG-CD 3.28Å; S118-Q121 WeakPolarHBondContact OG-CG 3.45Å; S118-Q121 PolarHBondContact OG-OE1 3.22Å; S118-L122 PolarHBondContact O-N 2.95Å
119	S	60.5	Low	63.8	Low	64 Å²	64	66.6 Å²	66.6	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-69.7	-30.4	180	55	0	0	0	0	114	L123	S119-L123 WeakPolarHBondContact O-CG 3.3Å; S119-L123 PolarHBondContact O-N 2.94Å
120	S	57.6	Low	62.2	Low	78 Å²	78	66.2 Å²	66.2	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-74.3	-37.3	-179.6	52.9	0	0	0	0	113.2	T124	S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 PolarHBondContact O-OG1 2.93Å
121	Q	58.3	Low	60.5	Low	123 Å²	123	67 Å²	67	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-68	-42.9	173.8	-72.4	171.4	-39.2	0	0	110.9	S118 L123 T124 D125	S118-Q121 VanDerWaalsContact CB-OE1 3.24Å; S118-Q121 WeakPolarHBondContact OG-CB 3.43Å; S118-Q121 VanDerWaalsContact OG-CD 3.28Å; S118-Q121 WeakPolarHBondContact OG-CG 3.45Å; S118-Q121 PolarHBondContact OG-OE1 3.22Å; Q121-L123 VanDerWaalsContact C-N 3.3Å; Q121-L123 PolarHBondContact O-N 3.32Å; Q121-T124 CarbonylContact O-C 3.59Å; Q121-T124 WeakPolarHBondContact O-CA 3.4Å; Q121-T124 WeakPolarHBondContact O-CB 3.32Å; Q121-T124 PolarHBondContact O-N 3.3Å; Q121-D125 PolarHBondContact O-N 3Å
122	L	59.6	Low	58.6	Low	4 Å²	4	70.7 Å²	70.7	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-57.4	-40.5	177.7	-168.2	157.1	0	0	0	112.9	L90 I100 F104 I111 R114 C115 S118 A126	L90-L122 HydrophobicContact CD1-CD2 4.42Å; L90-L122 HydrophobicContact CD2-CD2 4.43Å; I100-L122 HydrophobicContact CD1-CD2 4.29Å; I100-L122 HydrophobicContact CG2-CD2 3.67Å; F104-L122 HydrophobicContact CE2-CD2 4.21Å; F104-L122 HydrophobicContact CE2-CG 4.04Å; F104-L122 HydrophobicContact CZ-CG 4.36Å; I111-L122 HydrophobicContact CG2-CD1 4.29Å; R114-L122 HydrophobicContact CB-CD1 3.79Å; C115-L122 HydrophobicContact CB-CD1 4.46Å; S118-L122 PolarHBondContact O-N 2.95Å; L122-A126 VanDerWaalsContact O-CB 3.32Å; L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 3.26Å
123	L	61.2	Low	56.5	Low	24 Å²	24	74.8 Å²	74.8	13%	0.126	43%	0.426	C	S	.	.	H	α-helix	trans	-66.9	-34.8	174.1	-72.6	170.5	0	0	0	113	V92 I100 S119 Q121 L127 V128 T130	V92-L123 HydrophobicContact CG1-CD2 4.35Å; I100-L123 HydrophobicContact CD1-CD2 3.97Å; S119-L123 WeakPolarHBondContact O-CG 3.3Å; S119-L123 PolarHBondContact O-N 2.94Å; Q121-L123 VanDerWaalsContact C-N 3.3Å; Q121-L123 PolarHBondContact O-N 3.32Å; L123-L127 PolarHBondContact O-N 2.94Å; L123-V128 CarbonylContact O-C 3.59Å; L123-V128 PolarHBondContact O-N 3.01Å; L123-V128 VanDerWaalsContact O-O 3.06Å; L123-T130 HydrophobicContact CD1-CG2 3.79Å; L123-T130 HydrophobicContact CD2-CG2 4.02Å
124	T	59.4	Low	54.5	Low	98 Å²	98	76 Å²	76	60%	0.601	44%	0.44	S	S	*	.	H	α-helix	trans	-72.3	-47.2	178	-51.3	0	0	0	0	110.6	S120 Q121 A126 L127	S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 PolarHBondContact O-OG1 2.93Å; Q121-T124 CarbonylContact O-C 3.59Å; Q121-T124 WeakPolarHBondContact O-CA 3.4Å; Q121-T124 WeakPolarHBondContact O-CB 3.32Å; Q121-T124 PolarHBondContact O-N 3.3Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.47Å; T124-L127 PolarHBondContact O-N 3.42Å
125	D	57.1	Low	52.8	Low	83 Å²	83	81.4 Å²	81.4	44%	0.444	46%	0.46	S	S	.	.	H	α-helix	trans	-59.4	-41.2	176.6	-72	-4.1	0	0	0	111.8	H103 Q121 L127	H103-D125 PolarHBondContact CE1-O 3.2Å; Q121-D125 PolarHBondContact O-N 3Å; D125-L127 PolarHBondContact O-N 2.59Å
126	A	54.8	Low	51.3	Low	1 Å²	1	87.9 Å²	87.9	1%	0.008	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.9	176.7	0	0	0	0	0	114	I100 L122 T124 V128	I100-A126 HydrophobicContact CB-CB 4.45Å; I100-A126 HydrophobicContact CG1-CB 3.74Å; L122-A126 VanDerWaalsContact O-CB 3.32Å; L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 3.26Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.47Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.2Å
127	L	55	Low	49.8	Very low	69 Å²	69	84 Å²	84	36%	0.361	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	37.5	-175.8	-55.8	170.1	0	0	0	113.4	L123 T124 D125 S195 L196 R197	L123-L127 PolarHBondContact O-N 2.94Å; T124-L127 PolarHBondContact O-N 3.42Å; D125-L127 PolarHBondContact O-N 2.59Å; L127-S195 WeakPolarHBondContact CD1-O 3.18Å; L127-L196 WeakPolarHBondContact O-CD1 3.41Å; L127-R197 PolarHBondContact O-N 3.1Å
128	V	56.6	Low	48.6	Very low	5 Å²	5	85.7 Å²	85.7	3%	0.03	50%	0.495	C	S	.	.			trans	-132.3	106.6	176.9	-168.4	0	0	0	0	111.8	V96 L99 L123 A126 T130	V96-V128 HydrophobicContact CB-CG1 4.25Å; V96-V128 HydrophobicContact CG1-CB 4.28Å; V96-V128 HydrophobicContact CG1-CG1 3.63Å; V96-V128 HydrophobicContact CG2-CG1 3.78Å; L99-V128 HydrophobicContact CB-CG2 3.91Å; L99-V128 HydrophobicContact CD1-CG2 3.66Å; L99-V128 HydrophobicContact CG-CG2 4.44Å; L123-V128 CarbonylContact O-C 3.59Å; L123-V128 PolarHBondContact O-N 3.01Å; L123-V128 VanDerWaalsContact O-O 3.06Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.2Å; V128-T130 PolarHBondContact O-N 3.36Å
129	Q	52.3	Low	47.5	Very low	103 Å²	103	86.5 Å²	86.5	48%	0.481	50%	0.504	S	S	.	.			trans	-75	124.2	168.2	-69.4	179.2	-21.4	0	0	110.1	P161 L196	Q129-P161 HydrophobicContact CB-CB 4.06Å; Q129-P161 PolarHBondContact OE1-O 3.17Å; Q129-L196 HydrophobicContact CG-CD1 4.44Å
130	T	43.8	Very low	46.7	Very low	69 Å²	69	87.9 Å²	87.9	42%	0.423	52%	0.519	S	S	.	.			trans	-60.4	144	159.5	43.5	0	0	0	0	109	V92 L123 V128 S132	V92-T130 HydrophobicContact CG1-CG2 3.7Å; L123-T130 HydrophobicContact CD1-CG2 3.79Å; L123-T130 HydrophobicContact CD2-CG2 4.02Å; V128-T130 PolarHBondContact O-N 3.36Å; T130-S132 PolarHBondContact O-N 3.43Å
131	S	41.4	Very low	46.6	Very low	105 Å²	105	89.3 Å²	89.3	73%	0.734	52%	0.517	S	S	*	.			trans	-64.8	97	-168.9	54	0	0	0	0	112.1	T133	S131-T133 PolarHBondContact O-N 3.16Å
132	S	35	Very low	46.5	Very low	77 Å²	77	87.6 Å²	87.6	54%	0.538	52%	0.519	S	S	.	.			trans	-58	130.8	159.7	48.3	0	0	0	0	108.1	T130 C134	T130-S132 PolarHBondContact O-N 3.43Å; S132-C134 PolarHBondContact O-N 3.45Å
133	T	33	Very low	47	Very low	135 Å²	135	90.4 Å²	90.4	83%	0.828	53%	0.533	S	S	*	.			trans	-63	106.6	-159.8	-18.8	0	0	0	0	111	S131 R135	S131-T133 PolarHBondContact O-N 3.16Å; T133-R135 PolarHBondContact O-N 3.18Å
134	C	32.1	Very low	47.6	Very low	110 Å²	110	95.4 Å²	95.4	74%	0.743	56%	0.556	S	S	*	*			trans	-64.9	98.5	177.4	-170.5	0	0	0	0	108.6	S132 L136	S132-C134 PolarHBondContact O-N 3.45Å; C134-L136 PolarHBondContact O-N 3.22Å
135	R	32.8	Very low	48.4	Very low	234 Å²	234	90.8 Å²	90.8	88%	0.883	53%	0.528	S	S	*	.			trans	-64.7	108.2	178.3	-70.7	-175.9	176.8	-174.3	-0.9	107.7	T133 A137	T133-R135 PolarHBondContact O-N 3.18Å; R135-A137 VanDerWaalsContact C-N 3.27Å; R135-A137 PolarHBondContact O-N 3Å
136	L	34.9	Very low	49.1	Very low	164 Å²	164	89.9 Å²	89.9	86%	0.859	54%	0.538	S	S	*	.			trans	-61.4	88	173.9	-77	163.6	0	0	0	109.7	C134 T138	C134-L136 PolarHBondContact O-N 3.22Å; L136-T138 PolarHBondContact O-N 3.36Å; L136-T138 VanDerWaalsContact O-N 3.11Å
137	A	34.2	Very low	50.3	Low	76 Å²	76	93.2 Å²	93.2	63%	0.628	56%	0.558	S	S	*	*			trans	-69.7	105.6	177.9	0	0	0	0	0	109.4	R135 A139	R135-A137 VanDerWaalsContact C-N 3.27Å; R135-A137 PolarHBondContact O-N 3Å; A137-A139 PolarHBondContact O-N 3.13Å
138	T	40.3	Very low	51.5	Low	146 Å²	146	92.2 Å²	92.2	90%	0.896	56%	0.556	S	S	*	*			trans	-70	83.7	-176.2	49.5	0	0	0	0	112	L136	L136-T138 PolarHBondContact O-N 3.36Å; L136-T138 VanDerWaalsContact O-N 3.11Å
139	A	38.1	Very low	52.6	Low	49 Å²	49	97.4 Å²	97.4	41%	0.405	58%	0.583	S	S	.	*			trans	-154.4	129.5	163.1	0	0	0	0	0	111	A137 Q141 R154	A137-A139 PolarHBondContact O-N 3.13Å; A139-Q141 HydrophobicContact CB-CG 4.44Å; A139-Q141 PolarHBondContact O-N 3.44Å; A139-R154 PolarHBondContact O-NH1 3.48Å
140	A	42.9	Very low	53.9	Low	92 Å²	92	98.4 Å²	98.4	76%	0.76	59%	0.588	S	S	*	*			trans	-74.9	102.1	168.4	0	0	0	0	0	109.2
141	Q	55.4	Low	55.5	Low	109 Å²	109	100 Å²	100	51%	0.509	60%	0.597	S	S	.	*			trans	-129.3	132.8	171.7	-70	166.8	-36	0	0	107.8	A139 R154	A139-Q141 HydrophobicContact CB-CG 4.44Å; A139-Q141 PolarHBondContact O-N 3.44Å; Q141-R154 WeakPolarHBondContact O-CB 3.5Å
142	S	56.9	Low	57	Low	87 Å²	87	96.3 Å²	96.3	61%	0.608	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	141.7	168	39.7	0	0	0	0	109.7	V152	S142-V152 WeakPolarHBondContact CA-O 3.39Å
143	L	69.8	Low	58.7	Low	62 Å²	62	100 Å²	100	33%	0.325	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	141	-174.6	-77.7	165	0	0	0	109.1	V152 R154 L157	L143-V152 PolarHBondContact N-O 2.97Å; L143-V152 WeakPolarHBondContact O-CG2 3.22Å; L143-V152 PolarHBondContact O-N 3.45Å; L143-R154 HydrophobicContact CD1-CB 4.26Å; L143-R154 HydrophobicContact CD1-CG 4.33Å; L143-L157 HydrophobicContact CB-CD1 3.61Å; L143-L157 HydrophobicContact CD1-CD1 3.72Å; L143-L157 HydrophobicContact CG-CD1 4.32Å
144	Q	73.8	Confident	60.2	Low	129 Å²	129	97.6 Å²	97.6	60%	0.603	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.7	178.4	-164.8	175.3	14.4	0	0	110	L149 Q150	Q144-L149 VanDerWaalsContact CG-O 3.3Å; Q144-L149 WeakPolarHBondContact CG-O 3.33Å; Q144-L149 PolarHBondContact NE2-O 3.46Å; Q144-Q150 WeakPolarHBondContact CA-O 3.5Å
145	C	76.7	Confident	61.8	Low	2 Å²	2	97.6 Å²	97.6	1%	0.014	54%	0.54	C	S	.	.			trans	-78.1	125.6	177	-174.1	0	0	0	0	110.9	V147 L149 Q150 V152 C167 C170	C145-V147 PolarHBondContact O-N 3.44Å; C145-L149 WeakPolarHBondContact O-CA 3.26Å; C145-L149 PolarHBondContact O-N 3.07Å; C145-Q150 PolarHBondContact N-O 3.05Å; C145-V152 HydrophobicContact CB-CG2 4.25Å; C145-C167 HydrophobicContact CB-CB 4.12Å; C145-C167 PolarHBondContact SG-N 3.17Å; C145-C170 PolarHBondContact SG-SG 3.39Å
146	G	71.8	Confident	63.5	Low	63 Å²	63	89.5 Å²	89.5	65%	0.649	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	4.6	-178	0	0	0	0	0	117
147	V	79.1	Confident	65.2	Low	72 Å²	72	82.9 Å²	82.9	44%	0.436	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-58.4	-179.5	173.9	0	0	0	0	110.7	C145 F166 M190	C145-V147 PolarHBondContact O-N 3.44Å; V147-F166 HydrophobicContact CB-CD1 4.49Å; V147-F166 HydrophobicContact CG2-CD1 3.54Å; V147-F166 HydrophobicContact CG2-CE1 3.66Å; V147-M190 HydrophobicContact CG1-CE 3.99Å; V147-M190 HydrophobicContact CG2-CE 4.04Å
148	C	80.6	Confident	67.2	Low	48 Å²	48	82 Å²	82	32%	0.324	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.1	179.1	67.3	0	0	0	0	114.2	Q150	C148-Q150 HydrophobicContact CB-CG 4.35Å; C148-Q150 PolarHBondContact O-N 3.28Å
149	L	80.6	Confident	68.6	Low	114 Å²	114	77.6 Å²	77.6	60%	0.597	45%	0.445	S	S	*	.			trans	56.3	8.9	-175.7	-56.6	179.6	0	0	0	115.6	Q144 C145	Q144-L149 VanDerWaalsContact CG-O 3.3Å; Q144-L149 WeakPolarHBondContact CG-O 3.33Å; Q144-L149 PolarHBondContact NE2-O 3.46Å; C145-L149 WeakPolarHBondContact O-CA 3.26Å; C145-L149 PolarHBondContact O-N 3.07Å
150	Q	79	Confident	70.1	Confident	123 Å²	123	75.6 Å²	75.6	58%	0.575	43%	0.428	S	S	*	.			trans	-76.6	146.7	176.5	-63.1	-178.2	-9.8	0	0	111.6	Q144 C145 C148	Q144-Q150 WeakPolarHBondContact CA-O 3.5Å; C145-Q150 PolarHBondContact N-O 3.05Å; C148-Q150 HydrophobicContact CB-CG 4.35Å; C148-Q150 PolarHBondContact O-N 3.28Å
151	V	76.3	Confident	71.2	Confident	104 Å²	104	73.3 Å²	73.3	63%	0.63	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.5	173.3	179.4	0	0	0	0	108.8
152	V	73.3	Confident	71.8	Confident	27 Å²	27	69.2 Å²	69.2	16%	0.164	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	161.1	-178.1	-83	0	0	0	0	111.4	S142 L143 C145 L157 C167	S142-V152 WeakPolarHBondContact CA-O 3.39Å; L143-V152 PolarHBondContact N-O 2.97Å; L143-V152 WeakPolarHBondContact O-CG2 3.22Å; L143-V152 PolarHBondContact O-N 3.45Å; C145-V152 HydrophobicContact CB-CG2 4.25Å; V152-L157 HydrophobicContact CG2-CD2 3.6Å; V152-L157 HydrophobicContact CG2-CG 4.06Å; V152-C167 HydrophobicContact CG1-CB 4.42Å; V152-C167 HydrophobicContact CG2-CB 4.38Å
153	R	71.5	Confident	72.4	Confident	155 Å²	155	72.6 Å²	72.6	59%	0.585	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.2	174	-63.4	-176.3	61.1	97.7	6.5	109.1	D155 T156	R153-D155 HydrophobicContact CB-CB 4.37Å; R153-D155 IonicContact CZ-OD2 3.23Å; R153-D155 VanDerWaalsContact CZ-OD2 3.23Å; R153-D155 IonicContact NE-OD2 2.76Å; R153-D155 PolarHBondContact NE-OD2 3.34Å; R153-D155 IonicContact NH2-OD2 2.8Å; R153-D155 PolarHBondContact NH2-OD2 3.24Å; R153-D155 PolarHBondContact O-N 3.17Å; R153-D155 VanDerWaalsContact O-N 3.14Å; R153-T156 PolarHBondContact O-N 2.87Å; R153-T156 PolarHBondContact O-OG1 3.46Å
154	R	63.9	Low	72.6	Confident	84 Å²	84	73.1 Å²	73.1	32%	0.317	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-51.3	-36.7	172	179.1	172.1	-90.6	145	-2.4	111.4	A139 Q141 L143 T156 L157	A139-R154 PolarHBondContact O-NH1 3.48Å; Q141-R154 WeakPolarHBondContact O-CB 3.5Å; L143-R154 HydrophobicContact CD1-CB 4.26Å; L143-R154 HydrophobicContact CD1-CG 4.33Å; R154-T156 PolarHBondContact O-N 3.42Å; R154-T156 VanDerWaalsContact O-N 3.16Å; R154-L157 PolarHBondContact O-N 3.17Å
155	D	65.3	Low	72.8	Confident	109 Å²	109	69.5 Å²	69.5	58%	0.583	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18.9	175.7	-30.7	-36.5	0	0	0	114.8	R153	R153-D155 HydrophobicContact CB-CB 4.37Å; R153-D155 IonicContact CZ-OD2 3.23Å; R153-D155 VanDerWaalsContact CZ-OD2 3.23Å; R153-D155 IonicContact NE-OD2 2.76Å; R153-D155 PolarHBondContact NE-OD2 3.34Å; R153-D155 IonicContact NH2-OD2 2.8Å; R153-D155 PolarHBondContact NH2-OD2 3.24Å; R153-D155 PolarHBondContact O-N 3.17Å; R153-D155 VanDerWaalsContact O-N 3.14Å
156	T	68.7	Low	73.1	Confident	64 Å²	64	70.3 Å²	70.3	39%	0.393	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-114.5	6.7	-178.6	62.9	0	0	0	0	113.9	R153 R154 K168	R153-T156 PolarHBondContact O-N 2.87Å; R153-T156 PolarHBondContact O-OG1 3.46Å; R154-T156 PolarHBondContact O-N 3.42Å; R154-T156 VanDerWaalsContact O-N 3.16Å; T156-K168 PolarHBondContact O-N 3.19Å
157	L	72.1	Confident	73.6	Confident	25 Å²	25	67.7 Å²	67.7	13%	0.131	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.4	169.2	-71.5	177.4	0	0	0	110	L143 V152 R154 F166	L143-L157 HydrophobicContact CB-CD1 3.61Å; L143-L157 HydrophobicContact CD1-CD1 3.72Å; L143-L157 HydrophobicContact CG-CD1 4.32Å; V152-L157 HydrophobicContact CG2-CD2 3.6Å; V152-L157 HydrophobicContact CG2-CG 4.06Å; R154-L157 PolarHBondContact O-N 3.17Å; L157-F166 WeakPolarHBondContact CA-O 3.41Å; L157-F166 VanDerWaalsContact CD2-C 3.5Å
158	L	74.3	Confident	73.8	Confident	59 Å²	59	68.8 Å²	68.8	31%	0.309	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	174.9	-62	173.5	0	0	0	109.3	S165 F166 K168 W171 F202 L206	L158-S165 WeakPolarHBondContact O-CA 3.39Å; L158-F166 PolarHBondContact N-O 2.94Å; L158-F166 PolarHBondContact O-N 3.33Å; L158-F166 VanDerWaalsContact O-N 3.16Å; L158-K168 HydrophobicContact CD1-CB 4.44Å; L158-K168 HydrophobicContact CD1-CG 4.2Å; L158-W171 PolarHBondContact O-NE1 2.85Å; L158-F202 HydrophobicContact CB-CE2 4.4Å; L158-F202 HydrophobicContact CB-CZ 3.91Å; L158-L206 HydrophobicContact CD1-CD1 4.49Å; L158-L206 HydrophobicContact CD1-CD2 3.6Å
159	A	69.6	Low	73.9	Confident	52 Å²	52	68.9 Å²	68.9	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.8	-179.1	0	0	0	0	0	111.1	H164	A159-H164 WeakPolarHBondContact CA-O 3.2Å
160	L	69.9	Low	74.1	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	34%	0.335	C	S	.	.			trans	-89.6	167.1	167.8	-79.1	169.4	0	0	0	110.6	C162 Q163 H164 W171 C189 L196 M198 F202	L160-C162 VanDerWaalsContact CB-SG 3.57Å; L160-C162 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-N 2.95Å; L160-H164 PolarHBondContact N-O 3.39Å; L160-W171 HydrophobicContact CD1-CH2 3.4Å; L160-W171 HydrophobicContact CD1-CZ2 3.8Å; L160-W171 HydrophobicContact CD1-CZ3 4.35Å; L160-W171 HydrophobicContact CG-CH2 4.17Å; L160-W171 HydrophobicContact CG-CZ2 4.08Å; L160-C189 HydrophobicContact CD1-CB 4.03Å; L160-L196 HydrophobicContact CB-CD2 4.11Å; L160-M198 HydrophobicContact CD1-CE 4.34Å; L160-M198 HydrophobicContact CD1-CG 3.73Å; L160-M198 HydrophobicContact CD1-SD 4.08Å; L160-M198 HydrophobicContact CD2-CG 4.15Å; L160-F202 HydrophobicContact CD2-CD1 4.13Å; L160-F202 HydrophobicContact CD2-CD2 4.08Å; L160-F202 HydrophobicContact CD2-CE1 4.12Å; L160-F202 HydrophobicContact CD2-CE2 4.07Å; L160-F202 HydrophobicContact CD2-CG 4.11Å; L160-F202 HydrophobicContact CD2-CZ 4.08Å; L160-F202 HydrophobicContact CG-CE1 4.38Å; L160-F202 HydrophobicContact CG-CE2 4.47Å; L160-F202 HydrophobicContact CG-CZ 4.17Å
161	P	65.9	Low	74.3	Confident	44 Å²	44	57.8 Å²	57.8	29%	0.286	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.3	174.4	-30	36.6	0	0	0	114.7	Q129 Q163 L196	Q129-P161 HydrophobicContact CB-CB 4.06Å; Q129-P161 PolarHBondContact OE1-O 3.17Å; P161-Q163 PolarHBondContact O-N 3.22Å; P161-Q163 VanDerWaalsContact O-N 3.07Å; P161-L196 HydrophobicContact CB-CD2 4.31Å; P161-L196 HydrophobicContact CG-CD2 4.44Å
162	C	67.9	Low	74.8	Confident	22 Å²	22	55.7 Å²	55.7	15%	0.149	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	11.4	173.1	62.8	0	0	0	0	115.1	L160 H164 C194 L196	L160-C162 VanDerWaalsContact CB-SG 3.57Å; L160-C162 PolarHBondContact O-N 3.44Å; C162-H164 PolarHBondContact O-N 3.47Å; C162-H164 PolarHBondContact SG-ND1 3.44Å; C162-C194 VanDerWaalsContact CB-SG 3.59Å; C162-L196 HydrophobicContact CB-CB 4.2Å; C162-L196 HydrophobicContact CB-CD1 4.48Å; C162-L196 HydrophobicContact CB-CD2 3.93Å; C162-L196 HydrophobicContact CB-CG 4.42Å
163	Q	69.7	Low	75.4	Confident	158 Å²	158	61.1 Å²	61.1	74%	0.738	31%	0.314	S	S	*	.	S	Bend	trans	65.5	-15.3	176.2	-52.1	179	28.5	0	0	116.4	L160 P161 S165	L160-Q163 PolarHBondContact O-N 2.95Å; P161-Q163 PolarHBondContact O-N 3.22Å; P161-Q163 VanDerWaalsContact O-N 3.07Å; Q163-S165 PolarHBondContact O-N 3.22Å
164	H	74.2	Confident	76.1	Confident	74 Å²	74	55.6 Å²	55.6	34%	0.343	30%	0.295	S	S	.	.			trans	-56.4	131.1	167	-58.3	125.3	0	0	0	111.3	A159 L160 C162 F166 C194	A159-H164 WeakPolarHBondContact CA-O 3.2Å; L160-H164 PolarHBondContact N-O 3.39Å; C162-H164 PolarHBondContact O-N 3.47Å; C162-H164 PolarHBondContact SG-ND1 3.44Å; H164-F166 HydrophobicContact CB-CE2 3.79Å; H164-F166 HydrophobicContact CB-CZ 4.23Å; H164-C194 VanDerWaalsContact CE1-SG 3.57Å; H164-C194 PolarHBondContact ND1-SG 3.44Å
165	S	78.3	Confident	77.1	Confident	53 Å²	53	51.6 Å²	51.6	37%	0.371	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135	-178.5	59.8	0	0	0	0	111.6	L158 Q163	L158-S165 WeakPolarHBondContact O-CA 3.39Å; Q163-S165 PolarHBondContact O-N 3.22Å
166	F	82.1	Confident	78.1	Confident	19 Å²	19	47.3 Å²	47.3	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.4	-175.9	-54.8	-80.9	0	0	0	111.1	V147 L157 L158 H164 C170 W171 M190 A191	V147-F166 HydrophobicContact CB-CD1 4.49Å; V147-F166 HydrophobicContact CG2-CD1 3.54Å; V147-F166 HydrophobicContact CG2-CE1 3.66Å; L157-F166 WeakPolarHBondContact CA-O 3.41Å; L157-F166 VanDerWaalsContact CD2-C 3.5Å; L158-F166 PolarHBondContact N-O 2.94Å; L158-F166 PolarHBondContact O-N 3.33Å; L158-F166 VanDerWaalsContact O-N 3.16Å; H164-F166 HydrophobicContact CB-CE2 3.79Å; H164-F166 HydrophobicContact CB-CZ 4.23Å; F166-C170 HydrophobicContact CB-CB 4.45Å; F166-W171 AromaticContact CD2-CE2 3.87Å; F166-W171 HydrophobicContact CD2-CH2 4.05Å; F166-W171 AromaticContact CD2-CZ2 3.53Å; F166-W171 HydrophobicContact CD2-CZ2 3.53Å; F166-W171 HydrophobicContact CE2-CH2 4.4Å; F166-W171 HydrophobicContact CE2-CZ2 4.21Å; F166-M190 HydrophobicContact CB-SD 4.48Å; F166-M190 HydrophobicContact CD2-CB 4.25Å; F166-M190 HydrophobicContact CD2-SD 4.38Å; F166-M190 HydrophobicContact CE1-CB 4.43Å; F166-M190 HydrophobicContact CE2-CB 3.84Å; F166-M190 HydrophobicContact CG-SD 4.32Å; F166-M190 HydrophobicContact CZ-CB 3.93Å; F166-A191 HydrophobicContact CZ-CB 4.31Å
167	C	83.7	Confident	79	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.054	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	147.1	-178.3	90.1	0	0	0	0	111.9	C145 V152 A169 C170 W171	C145-C167 HydrophobicContact CB-CB 4.12Å; C145-C167 PolarHBondContact SG-N 3.17Å; V152-C167 HydrophobicContact CG1-CB 4.42Å; V152-C167 HydrophobicContact CG2-CB 4.38Å; C167-A169 VanDerWaalsContact C-N 3.33Å; C167-A169 PolarHBondContact O-N 2.68Å; C167-C170 HydrophobicContact CB-CB 4.19Å; C167-C170 WeakPolarHBondContact CB-SG 3.25Å; C167-C170 WeakPolarHBondContact O-CA 3.44Å; C167-C170 WeakPolarHBondContact O-CB 3.08Å; C167-C170 PolarHBondContact O-N 3.47Å; C167-C170 WeakPolarHBondContact SG-CB 3.45Å; C167-C170 PolarHBondContact SG-N 2.78Å; C167-C170 CovalentContact SG-SG 2.06Å; C167-C170 PolarHBondContact SG-SG 2.96Å; C167-W171 PolarHBondContact O-N 3.47Å
168	K	82.1	Confident	79.5	Confident	94 Å²	94	48 Å²	48	41%	0.409	26%	0.262	S	S	.	.	H	α-helix	trans	-53.4	-46.2	178.6	-169.6	174.6	-170.5	-81.3	0	112.9	T156 L158 C170 W171 E172 L206	T156-K168 PolarHBondContact O-N 3.19Å; L158-K168 HydrophobicContact CD1-CB 4.44Å; L158-K168 HydrophobicContact CD1-CG 4.2Å; K168-C170 VanDerWaalsContact C-N 3.29Å; K168-C170 PolarHBondContact O-N 3.33Å; K168-W171 WeakPolarHBondContact O-CB 3.05Å; K168-W171 PolarHBondContact O-N 3.45Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.3Å; K168-E172 PolarHBondContact NZ-OE1 3.35Å; K168-E172 VanDerWaalsContact O-CG 3.29Å; K168-E172 WeakPolarHBondContact O-CG 3.31Å; K168-E172 PolarHBondContact O-N 2.84Å; K168-L206 HydrophobicContact CG-CD2 4.06Å
169	A	83.1	Confident	80.1	Confident	50 Å²	50	45.2 Å²	45.2	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-33.4	177.6	0	0	0	0	0	113.6	C167 E172 Q173	C167-A169 VanDerWaalsContact C-N 3.33Å; C167-A169 PolarHBondContact O-N 2.68Å; A169-E172 WeakPolarHBondContact CA-OE2 3.49Å; A169-E172 PolarHBondContact O-N 3.25Å; A169-Q173 WeakPolarHBondContact O-CB 3.39Å; A169-Q173 VanDerWaalsContact O-CG 3.3Å; A169-Q173 WeakPolarHBondContact O-CG 3.37Å; A169-Q173 PolarHBondContact O-N 3.49Å
170	C	84.2	Confident	80.8	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-46.1	176.4	-52.7	0	0	0	0	110	C145 F166 C167 K168 H174	C145-C170 PolarHBondContact SG-SG 3.39Å; F166-C170 HydrophobicContact CB-CB 4.45Å; C167-C170 HydrophobicContact CB-CB 4.19Å; C167-C170 WeakPolarHBondContact CB-SG 3.25Å; C167-C170 WeakPolarHBondContact O-CA 3.44Å; C167-C170 WeakPolarHBondContact O-CB 3.08Å; C167-C170 PolarHBondContact O-N 3.47Å; C167-C170 WeakPolarHBondContact SG-CB 3.45Å; C167-C170 PolarHBondContact SG-N 2.78Å; C167-C170 CovalentContact SG-SG 2.06Å; C167-C170 PolarHBondContact SG-SG 2.96Å; K168-C170 VanDerWaalsContact C-N 3.29Å; K168-C170 PolarHBondContact O-N 3.33Å; C170-H174 WeakPolarHBondContact O-CB 3.48Å; C170-H174 PolarHBondContact O-N 3.5Å
171	W	84.1	Confident	81.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-44	174.9	-80.3	125.8	0	0	0	112.9	L158 L160 F166 C167 K168 Q173 H174 C175 M190 M198 F202 L206	L158-W171 PolarHBondContact O-NE1 2.85Å; L160-W171 HydrophobicContact CD1-CH2 3.4Å; L160-W171 HydrophobicContact CD1-CZ2 3.8Å; L160-W171 HydrophobicContact CD1-CZ3 4.35Å; L160-W171 HydrophobicContact CG-CH2 4.17Å; L160-W171 HydrophobicContact CG-CZ2 4.08Å; F166-W171 AromaticContact CD2-CE2 3.87Å; F166-W171 HydrophobicContact CD2-CH2 4.05Å; F166-W171 AromaticContact CD2-CZ2 3.53Å; F166-W171 HydrophobicContact CD2-CZ2 3.53Å; F166-W171 HydrophobicContact CE2-CH2 4.4Å; F166-W171 HydrophobicContact CE2-CZ2 4.21Å; C167-W171 PolarHBondContact O-N 3.47Å; K168-W171 WeakPolarHBondContact O-CB 3.05Å; K168-W171 PolarHBondContact O-N 3.45Å; W171-Q173 VanDerWaalsContact C-N 3.32Å; W171-Q173 PolarHBondContact O-N 2.85Å; W171-H174 AromaticContact CZ3-CD2 3.91Å; W171-H174 PolarHBondContact O-N 2.98Å; W171-C175 WeakPolarHBondContact O-CB 3.46Å; W171-C175 PolarHBondContact O-N 3.21Å; W171-C175 PolarHBondContact O-SG 3.05Å; W171-C175 VanDerWaalsContact O-SG 3.41Å; W171-M190 HydrophobicContact CD2-SD 4.2Å; W171-M190 HydrophobicContact CE3-CG 4Å; W171-M190 HydrophobicContact CE3-SD 3.82Å; W171-M190 HydrophobicContact CH2-CG 4.12Å; W171-M190 HydrophobicContact CZ3-CG 3.6Å; W171-M190 HydrophobicContact CZ3-SD 4.05Å; W171-M198 HydrophobicContact CD2-CE 4.44Å; W171-M198 HydrophobicContact CE3-CE 3.67Å; W171-M198 HydrophobicContact CE3-SD 4.2Å; W171-M198 HydrophobicContact CH2-CE 3.97Å; W171-M198 HydrophobicContact CH2-SD 3.96Å; W171-M198 HydrophobicContact CZ3-CE 3.42Å; W171-M198 VanDerWaalsContact CZ3-CE 3.42Å; W171-M198 HydrophobicContact CZ3-SD 3.42Å; W171-M198 WeakPolarHBondContact CZ3-SD 3.4Å; W171-F202 HydrophobicContact CD2-CE1 4.26Å; W171-F202 HydrophobicContact CZ2-CE1 4.41Å; W171-F202 HydrophobicContact CZ2-CZ 4.47Å; W171-L206 HydrophobicContact CB-CD1 4.05Å; W171-L206 HydrophobicContact CB-CD2 4.47Å; W171-L206 HydrophobicContact CG-CD1 4.45Å
172	E	86.5	Confident	81.9	Confident	59 Å²	59	53.1 Å²	53.1	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-44.5	176.6	-72.7	168.6	164.4	0	0	111.3	K168 A169 T176 L206	K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.3Å; K168-E172 PolarHBondContact NZ-OE1 3.35Å; K168-E172 VanDerWaalsContact O-CG 3.29Å; K168-E172 WeakPolarHBondContact O-CG 3.31Å; K168-E172 PolarHBondContact O-N 2.84Å; A169-E172 WeakPolarHBondContact CA-OE2 3.49Å; A169-E172 PolarHBondContact O-N 3.25Å; E172-T176 WeakPolarHBondContact O-CB 3.17Å; E172-T176 PolarHBondContact O-N 3.08Å; E172-T176 PolarHBondContact O-OG1 3.09Å; E172-L206 WeakPolarHBondContact CA-O 3.43Å; E172-L206 WeakPolarHBondContact CG-O 3.41Å
173	Q	85.9	Confident	82.1	Confident	141 Å²	141	55.6 Å²	55.6	66%	0.659	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-47.9	175.8	-74.4	177	-18.1	0	0	111.9	A169 W171 T176 V177	A169-Q173 WeakPolarHBondContact O-CB 3.39Å; A169-Q173 VanDerWaalsContact O-CG 3.3Å; A169-Q173 WeakPolarHBondContact O-CG 3.37Å; A169-Q173 PolarHBondContact O-N 3.49Å; W171-Q173 VanDerWaalsContact C-N 3.32Å; W171-Q173 PolarHBondContact O-N 2.85Å; Q173-T176 PolarHBondContact O-N 3.36Å; Q173-V177 WeakPolarHBondContact O-CG2 3.43Å; Q173-V177 PolarHBondContact O-N 2.91Å
174	H	87.3	Confident	82.4	Confident	39 Å²	39	48.1 Å²	48.1	18%	0.181	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-55.6	177.3	-175.8	69.7	0	0	0	111.8	C170 W171 T176 V177 L178 S188 M190	C170-H174 WeakPolarHBondContact O-CB 3.48Å; C170-H174 PolarHBondContact O-N 3.5Å; W171-H174 AromaticContact CZ3-CD2 3.91Å; W171-H174 PolarHBondContact O-N 2.98Å; H174-T176 VanDerWaalsContact C-N 3.3Å; H174-T176 PolarHBondContact O-N 3.42Å; H174-V177 PolarHBondContact O-N 2.82Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.48Å; H174-L178 WeakPolarHBondContact O-CG 3.41Å; H174-L178 PolarHBondContact O-N 3.31Å; H174-S188 PolarHBondContact NE2-O 2.96Å; H174-M190 HydrophobicContact CB-CE 3.78Å; H174-M190 HydrophobicContact CB-CG 4.21Å; H174-M190 HydrophobicContact CB-SD 3.83Å
175	C	84.8	Confident	82.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-37.6	177.6	-66.2	0	0	0	0	112.1	W171 V177 V179 V203 L207	W171-C175 WeakPolarHBondContact O-CB 3.46Å; W171-C175 PolarHBondContact O-N 3.21Å; W171-C175 PolarHBondContact O-SG 3.05Å; W171-C175 VanDerWaalsContact O-SG 3.41Å; C175-V177 PolarHBondContact O-N 3.3Å; C175-V179 VanDerWaalsContact O-CB 3.31Å; C175-V179 WeakPolarHBondContact O-CB 3.27Å; C175-V179 VanDerWaalsContact O-CG2 3.25Å; C175-V179 WeakPolarHBondContact O-CG2 3.3Å; C175-V179 PolarHBondContact O-N 3.33Å; C175-V203 HydrophobicContact CB-CG1 4.26Å; C175-L207 HydrophobicContact CB-CD2 3.92Å
176	T	86.4	Confident	81.9	Confident	20 Å²	20	44.2 Å²	44.2	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-36.6	177	-64.5	0	0	0	0	112.8	E172 Q173 H174 K180 P208 L212	E172-T176 WeakPolarHBondContact O-CB 3.17Å; E172-T176 PolarHBondContact O-N 3.08Å; E172-T176 PolarHBondContact O-OG1 3.09Å; Q173-T176 PolarHBondContact O-N 3.36Å; H174-T176 VanDerWaalsContact C-N 3.3Å; H174-T176 PolarHBondContact O-N 3.42Å; T176-K180 HydrophobicContact CG2-CD 4.22Å; T176-K180 WeakPolarHBondContact O-CB 3.22Å; T176-K180 WeakPolarHBondContact O-CD 3.5Å; T176-K180 WeakPolarHBondContact O-CG 3.44Å; T176-K180 PolarHBondContact O-N 3.05Å; T176-P208 VanDerWaalsContact OG1-CD 3.3Å; T176-P208 WeakPolarHBondContact OG1-CD 3.3Å; T176-L212 HydrophobicContact CG2-CD1 3.93Å
177	V	86.8	Confident	81.7	Confident	76 Å²	76	43.3 Å²	43.3	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-54.9	175.3	171.3	0	0	0	0	110	Q173 H174 C175 V179 K180 D181	Q173-V177 WeakPolarHBondContact O-CG2 3.43Å; Q173-V177 PolarHBondContact O-N 2.91Å; H174-V177 PolarHBondContact O-N 2.82Å; C175-V177 PolarHBondContact O-N 3.3Å; V177-V179 VanDerWaalsContact C-N 3.26Å; V177-V179 PolarHBondContact O-N 2.88Å; V177-K180 CarbonylContact O-C 3.51Å; V177-K180 WeakPolarHBondContact O-CA 3.17Å; V177-K180 WeakPolarHBondContact O-CB 3.23Å; V177-K180 PolarHBondContact O-N 3.48Å; V177-D181 WeakPolarHBondContact CG1-OD2 3.45Å; V177-D181 PolarHBondContact O-N 2.92Å
178	L	83.8	Confident	81.7	Confident	26 Å²	26	45.1 Å²	45.1	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-29.3	-175.6	-57.5	-179.4	0	0	0	113.6	H174 G182 M183 I187	H174-L178 WeakPolarHBondContact NE2-CD1 3.48Å; H174-L178 WeakPolarHBondContact O-CG 3.41Å; H174-L178 PolarHBondContact O-N 3.31Å; L178-G182 PolarHBondContact O-N 3.39Å; L178-M183 HydrophobicContact CB-CE 4.07Å; L178-M183 HydrophobicContact CD1-CE 4.45Å; L178-M183 HydrophobicContact CD2-CE 3.61Å; L178-M183 HydrophobicContact CG-CE 4.22Å; L178-M183 PolarHBondContact O-N 2.84Å; L178-I187 HydrophobicContact CB-CG1 4.31Å; L178-I187 HydrophobicContact CD1-CG1 4.46Å; L178-I187 HydrophobicContact CD1-CG2 4Å
179	V	85.6	Confident	81.7	Confident	1 Å²	1	41 Å²	41	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-75.3	-31.4	171.9	171.5	0	0	0	0	112.2	C175 V177 G182 I187 L207 L212 Y216 Y219	C175-V179 VanDerWaalsContact O-CB 3.31Å; C175-V179 WeakPolarHBondContact O-CB 3.27Å; C175-V179 VanDerWaalsContact O-CG2 3.25Å; C175-V179 WeakPolarHBondContact O-CG2 3.3Å; C175-V179 PolarHBondContact O-N 3.33Å; V177-V179 VanDerWaalsContact C-N 3.26Å; V177-V179 PolarHBondContact O-N 2.88Å; V179-G182 PolarHBondContact O-N 3.45Å; V179-I187 HydrophobicContact CG2-CD1 4.01Å; V179-L207 HydrophobicContact CB-CD2 4.34Å; V179-L207 HydrophobicContact CG2-CD1 4.31Å; V179-L207 HydrophobicContact CG2-CD2 3.94Å; V179-L212 HydrophobicContact CG1-CD2 4.29Å; V179-Y216 HydrophobicContact CG2-CD2 3.58Å; V179-Y216 HydrophobicContact CG2-CE2 4.28Å; V179-Y216 HydrophobicContact CG2-CG 4.05Å; V179-Y219 HydrophobicContact CG1-CD2 4.43Å; V179-Y219 HydrophobicContact CG1-CE2 4.38Å; V179-Y219 VanDerWaalsContact O-CE2 3.26Å; V179-Y219 WeakPolarHBondContact O-CE2 3.29Å
180	K	83.9	Confident	81.5	Confident	145 Å²	145	40.8 Å²	40.8	63%	0.63	22%	0.221	S	C	*	.	H	α-helix	trans	-69.7	-34.4	170.7	-76.2	170.8	-179.8	-179.9	0	112	T176 V177 G182 L212	T176-K180 HydrophobicContact CG2-CD 4.22Å; T176-K180 WeakPolarHBondContact O-CB 3.22Å; T176-K180 WeakPolarHBondContact O-CD 3.5Å; T176-K180 WeakPolarHBondContact O-CG 3.44Å; T176-K180 PolarHBondContact O-N 3.05Å; V177-K180 CarbonylContact O-C 3.51Å; V177-K180 WeakPolarHBondContact O-CA 3.17Å; V177-K180 WeakPolarHBondContact O-CB 3.23Å; V177-K180 PolarHBondContact O-N 3.48Å; K180-G182 PolarHBondContact O-N 3.19Å; K180-L212 HydrophobicContact CG-CD2 4.43Å
181	D	82.3	Confident	81.1	Confident	111 Å²	111	41.6 Å²	41.6	59%	0.594	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.6	171.9	-56.8	-27.3	0	0	0	112.6	V177	V177-D181 WeakPolarHBondContact CG1-OD2 3.45Å; V177-D181 PolarHBondContact O-N 2.92Å
182	G	77.3	Confident	80.2	Confident	14 Å²	14	51 Å²	51	14%	0.144	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	13.2	169.5	0	0	0	0	0	115.7	L178 V179 K180 R222	L178-G182 PolarHBondContact O-N 3.39Å; V179-G182 PolarHBondContact O-N 3.45Å; K180-G182 PolarHBondContact O-N 3.19Å; G182-R222 PolarHBondContact O-NH2 2.69Å
183	M	72.4	Confident	79.3	Confident	75 Å²	75	56 Å²	56	37%	0.369	30%	0.3	S	S	.	.			trans	-86	128.8	179.8	-65	-160.3	-72.2	0	0	112.6	L178	L178-M183 HydrophobicContact CB-CE 4.07Å; L178-M183 HydrophobicContact CD1-CE 4.45Å; L178-M183 HydrophobicContact CD2-CE 3.61Å; L178-M183 HydrophobicContact CG-CE 4.22Å; L178-M183 PolarHBondContact O-N 2.84Å
184	G	75.1	Confident	78.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-95.8	-78.4	169.8	0	0	0	0	0	111.5	G186 Y216 D223	G184-G186 VanDerWaalsContact C-N 3.32Å; G184-G186 PolarHBondContact O-N 3.32Å; G184-Y216 WeakPolarHBondContact O-CE2 3.4Å; G184-D223 WeakPolarHBondContact CA-OD2 3.45Å; G184-D223 PolarHBondContact N-OD2 3.02Å; G184-D223 VanDerWaalsContact N-OD2 3.13Å
185	V	70.1	Confident	77.7	Confident	8 Å²	8	52 Å²	52	5%	0.048	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10	-168.6	-176.5	0	0	0	0	113.3	L99 V102 L220 D223 Y224	L99-V185 HydrophobicContact CD2-CG1 3.8Å; V102-V185 HydrophobicContact CB-CG1 4.19Å; V102-V185 HydrophobicContact CG1-CG1 3.91Å; V102-V185 HydrophobicContact CG2-CG1 4.2Å; V102-V185 HydrophobicContact CG2-CG2 4.42Å; V185-L220 HydrophobicContact CG2-CD2 3.67Å; V185-D223 HydrophobicContact CB-CB 4.23Å; V185-D223 HydrophobicContact CG2-CB 3.61Å; V185-D223 PolarHBondContact N-OD2 3.11Å; V185-Y224 HydrophobicContact CG2-CD1 3.83Å; V185-Y224 HydrophobicContact CG2-CE1 3.38Å
186	G	71.7	Confident	77.2	Confident	37 Å²	37	52.8 Å²	52.8	38%	0.381	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	-176.9	0	0	0	0	0	116.3	G184 S188	G184-G186 VanDerWaalsContact C-N 3.32Å; G184-G186 PolarHBondContact O-N 3.32Å; G186-S188 PolarHBondContact O-N 3.02Å; G186-S188 VanDerWaalsContact O-N 3.15Å
187	I	79.8	Confident	76.7	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.303	C	S	.	.			trans	-65.2	115.7	-173.6	-60.5	-179.6	0	0	0	110.6	L178 V179 M198 V203 Y216	L178-I187 HydrophobicContact CB-CG1 4.31Å; L178-I187 HydrophobicContact CD1-CG1 4.46Å; L178-I187 HydrophobicContact CD1-CG2 4Å; V179-I187 HydrophobicContact CG2-CD1 4.01Å; I187-M198 HydrophobicContact CG2-CB 4.2Å; I187-M198 HydrophobicContact CG2-CG 4.26Å; I187-M198 HydrophobicContact CG2-SD 3.61Å; I187-M198 PolarHBondContact O-N 3.31Å; I187-V203 HydrophobicContact CD1-CG1 4.07Å; I187-V203 HydrophobicContact CD1-CG2 4.44Å; I187-V203 HydrophobicContact CG2-CG2 4.42Å; I187-Y216 HydrophobicContact CD1-CD2 4.25Å; I187-Y216 HydrophobicContact CD1-CE2 3.52Å
188	S	82.2	Confident	76.1	Confident	46 Å²	46	51.6 Å²	51.6	32%	0.322	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-105.7	166.5	-179.6	67.6	0	0	0	0	113.1	H174 G186 L196	H174-S188 PolarHBondContact NE2-O 2.96Å; G186-S188 PolarHBondContact O-N 3.02Å; G186-S188 VanDerWaalsContact O-N 3.15Å; S188-L196 WeakPolarHBondContact CA-O 3.44Å
189	C	82.2	Confident	75.8	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.041	28%	0.281	C	S	.	.			trans	-56	154.2	169.7	-168.5	0	0	0	0	112.6	L160 A191 C194 L196	L160-C189 HydrophobicContact CD1-CB 4.03Å; C189-A191 VanDerWaalsContact C-N 3.32Å; C189-A191 PolarHBondContact O-N 3.41Å; C189-C194 HydrophobicContact CB-CB 3.92Å; C189-L196 PolarHBondContact N-O 3.42Å; C189-L196 VanDerWaalsContact N-O 3.14Å
190	M	79.5	Confident	75.5	Confident	46 Å²	46	52.7 Å²	52.7	23%	0.227	29%	0.288	C	S	.	.	S	Bend	trans	-79.9	-4.8	179.7	-57.8	-179.8	75.5	0	0	114.6	V147 F166 W171 H174	V147-M190 HydrophobicContact CG1-CE 3.99Å; V147-M190 HydrophobicContact CG2-CE 4.04Å; F166-M190 HydrophobicContact CB-SD 4.48Å; F166-M190 HydrophobicContact CD2-CB 4.25Å; F166-M190 HydrophobicContact CD2-SD 4.38Å; F166-M190 HydrophobicContact CE1-CB 4.43Å; F166-M190 HydrophobicContact CE2-CB 3.84Å; F166-M190 HydrophobicContact CG-SD 4.32Å; F166-M190 HydrophobicContact CZ-CB 3.93Å; W171-M190 HydrophobicContact CD2-SD 4.2Å; W171-M190 HydrophobicContact CE3-CG 4Å; W171-M190 HydrophobicContact CE3-SD 3.82Å; W171-M190 HydrophobicContact CH2-CG 4.12Å; W171-M190 HydrophobicContact CZ3-CG 3.6Å; W171-M190 HydrophobicContact CZ3-SD 4.05Å; H174-M190 HydrophobicContact CB-CE 3.78Å; H174-M190 HydrophobicContact CB-CG 4.21Å; H174-M190 HydrophobicContact CB-SD 3.83Å
191	A	75.3	Confident	75.2	Confident	23 Å²	23	50.2 Å²	50.2	19%	0.19	28%	0.282	C	S	.	.	S	Bend	trans	-84.7	137.1	180	0	0	0	0	0	111.3	F166 C189 D193 C194	F166-A191 HydrophobicContact CZ-CB 4.31Å; C189-A191 VanDerWaalsContact C-N 3.32Å; C189-A191 PolarHBondContact O-N 3.41Å; A191-D193 VanDerWaalsContact C-N 3.28Å; A191-D193 PolarHBondContact O-N 3.39Å; A191-D193 VanDerWaalsContact O-N 3.14Å; A191-C194 HydrophobicContact CB-CB 3.79Å; A191-C194 PolarHBondContact O-N 3.15Å
192	Q	65.6	Low	75	Confident	196 Å²	196	47.1 Å²	47.1	92%	0.916	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.7	-167.2	-72.7	178.5	-38.3	0	0	114.6
193	D	67.7	Low	75.2	Confident	164 Å²	164	46.5 Å²	46.5	88%	0.877	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	21	179.6	-57.1	-69.5	0	0	0	113.5	A191	A191-D193 VanDerWaalsContact C-N 3.28Å; A191-D193 PolarHBondContact O-N 3.39Å; A191-D193 VanDerWaalsContact O-N 3.14Å
194	C	72.5	Confident	75.7	Confident	15 Å²	15	45 Å²	45	10%	0.101	25%	0.25	C	C	.	.			trans	-116.5	85.3	-170.3	-163.6	0	0	0	0	114.7	C162 H164 C189 A191 L196	C162-C194 VanDerWaalsContact CB-SG 3.59Å; H164-C194 VanDerWaalsContact CE1-SG 3.57Å; H164-C194 PolarHBondContact ND1-SG 3.44Å; C189-C194 HydrophobicContact CB-CB 3.92Å; A191-C194 HydrophobicContact CB-CB 3.79Å; A191-C194 PolarHBondContact O-N 3.15Å; C194-L196 PolarHBondContact O-N 3.01Å
195	S	67.9	Low	76.2	Confident	82 Å²	82	49.1 Å²	49.1	57%	0.573	28%	0.276	S	S	*	.			trans	-70.3	12	175.9	-45	0	0	0	0	115.6	L127 R197	L127-S195 WeakPolarHBondContact CD1-O 3.18Å; S195-R197 PolarHBondContact O-N 3.14Å
196	L	72.4	Confident	76.8	Confident	16 Å²	16	49 Å²	49	8%	0.084	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-66.1	124.6	179.3	-167.9	97.9	0	0	0	110	L127 Q129 L160 P161 C162 S188 C189 C194	L127-L196 WeakPolarHBondContact O-CD1 3.41Å; Q129-L196 HydrophobicContact CG-CD1 4.44Å; L160-L196 HydrophobicContact CB-CD2 4.11Å; P161-L196 HydrophobicContact CB-CD2 4.31Å; P161-L196 HydrophobicContact CG-CD2 4.44Å; C162-L196 HydrophobicContact CB-CB 4.2Å; C162-L196 HydrophobicContact CB-CD1 4.48Å; C162-L196 HydrophobicContact CB-CD2 3.93Å; C162-L196 HydrophobicContact CB-CG 4.42Å; S188-L196 WeakPolarHBondContact CA-O 3.44Å; C189-L196 PolarHBondContact N-O 3.42Å; C189-L196 VanDerWaalsContact N-O 3.14Å; C194-L196 PolarHBondContact O-N 3.01Å
197	R	76.3	Confident	77.3	Confident	66 Å²	66	47.5 Å²	47.5	25%	0.249	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-79.7	143.7	177.4	-63.5	-172.6	-174.8	-160.8	4.8	111.5	L99 L127 S195	L99-R197 HydrophobicContact CD1-CB 4.09Å; L99-R197 HydrophobicContact CD2-CB 4.25Å; L127-R197 PolarHBondContact O-N 3.1Å; S195-R197 PolarHBondContact O-N 3.14Å
198	M	75.4	Confident	77.4	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.025	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-91	123.7	-177.4	-63.6	178.4	62.3	0	0	110.8	L160 W171 I187 F202 V203	L160-M198 HydrophobicContact CD1-CE 4.34Å; L160-M198 HydrophobicContact CD1-CG 3.73Å; L160-M198 HydrophobicContact CD1-SD 4.08Å; L160-M198 HydrophobicContact CD2-CG 4.15Å; W171-M198 HydrophobicContact CD2-CE 4.44Å; W171-M198 HydrophobicContact CE3-CE 3.67Å; W171-M198 HydrophobicContact CE3-SD 4.2Å; W171-M198 HydrophobicContact CH2-CE 3.97Å; W171-M198 HydrophobicContact CH2-SD 3.96Å; W171-M198 HydrophobicContact CZ3-CE 3.42Å; W171-M198 VanDerWaalsContact CZ3-CE 3.42Å; W171-M198 HydrophobicContact CZ3-SD 3.42Å; W171-M198 WeakPolarHBondContact CZ3-SD 3.4Å; I187-M198 HydrophobicContact CG2-CB 4.2Å; I187-M198 HydrophobicContact CG2-CG 4.26Å; I187-M198 HydrophobicContact CG2-SD 3.61Å; I187-M198 PolarHBondContact O-N 3.31Å; M198-F202 HydrophobicContact CE-CD1 3.36Å; M198-F202 HydrophobicContact CE-CE1 3.46Å; M198-F202 VanDerWaalsContact CE-CE1 3.46Å; M198-V203 HydrophobicContact CB-CG2 3.88Å; M198-V203 HydrophobicContact CE-CG2 4.21Å
199	P	76.5	Confident	77.5	Confident	19 Å²	19	50.9 Å²	50.9	12%	0.123	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.9	175.1	-21.1	33.3	0	0	0	112.5	V96 L99 D201 F202 V203	V96-P199 HydrophobicContact CG2-CG 4.34Å; L99-P199 HydrophobicContact CD1-CG 4.2Å; P199-D201 PolarHBondContact O-N 3.36Å; P199-F202 WeakPolarHBondContact O-CB 3.5Å; P199-F202 PolarHBondContact O-N 2.84Å; P199-V203 PolarHBondContact O-N 3.3Å
200	E	78.6	Confident	77.7	Confident	31 Å²	31	55.8 Å²	55.8	15%	0.145	31%	0.311	C	S	.	.	H	α-helix	trans	-55.9	-35.6	179.9	56.3	172.9	-139.1	0	0	113.1	S95 K98 F202 V203 L204 L220 Y224	S95-E200 VanDerWaalsContact OG-CG 3.25Å; S95-E200 WeakPolarHBondContact OG-CG 3.45Å; K98-E200 WeakPolarHBondContact CD-OE2 3.12Å; K98-E200 IonicContact NZ-OE1 3.31Å; K98-E200 PolarHBondContact NZ-OE1 2.95Å; K98-E200 IonicContact NZ-OE2 3.92Å; K98-E200 PolarHBondContact NZ-OE2 3.42Å; E200-F202 PolarHBondContact O-N 3.1Å; E200-V203 PolarHBondContact O-N 3.39Å; E200-L204 HydrophobicContact CB-CD1 4.4Å; E200-L204 WeakPolarHBondContact O-CB 2.74Å; E200-L204 WeakPolarHBondContact O-CG 3.49Å; E200-L204 PolarHBondContact O-N 2.66Å; E200-L220 HydrophobicContact CB-CD1 3.82Å; E200-Y224 PolarHBondContact OE2-OH 2.92Å; E200-Y224 VanDerWaalsContact OE2-OH 3.1Å
201	D	78.8	Confident	78	Confident	93 Å²	93	60.4 Å²	60.4	50%	0.497	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-31.3	174.8	-64	-43.3	0	0	0	113.5	S95 P199 P205	S95-D201 WeakPolarHBondContact CB-OD2 3.42Å; S95-D201 PolarHBondContact OG-OD1 2.96Å; S95-D201 PolarHBondContact OG-OD2 3.35Å; P199-D201 PolarHBondContact O-N 3.36Å; D201-P205 WeakPolarHBondContact O-CD 3.38Å; D201-P205 VanDerWaalsContact O-CG 3.31Å; D201-P205 WeakPolarHBondContact O-CG 3.42Å
202	F	78.4	Confident	78.5	Confident	47 Å²	47	60.6 Å²	60.6	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-85.6	-35.7	179.9	-169.6	-82.2	0	0	0	111	L158 L160 W171 M198 P199 E200 L206	L158-F202 HydrophobicContact CB-CE2 4.4Å; L158-F202 HydrophobicContact CB-CZ 3.91Å; L160-F202 HydrophobicContact CD2-CD1 4.13Å; L160-F202 HydrophobicContact CD2-CD2 4.08Å; L160-F202 HydrophobicContact CD2-CE1 4.12Å; L160-F202 HydrophobicContact CD2-CE2 4.07Å; L160-F202 HydrophobicContact CD2-CG 4.11Å; L160-F202 HydrophobicContact CD2-CZ 4.08Å; L160-F202 HydrophobicContact CG-CE1 4.38Å; L160-F202 HydrophobicContact CG-CE2 4.47Å; L160-F202 HydrophobicContact CG-CZ 4.17Å; W171-F202 HydrophobicContact CD2-CE1 4.26Å; W171-F202 HydrophobicContact CZ2-CE1 4.41Å; W171-F202 HydrophobicContact CZ2-CZ 4.47Å; M198-F202 HydrophobicContact CE-CD1 3.36Å; M198-F202 HydrophobicContact CE-CE1 3.46Å; M198-F202 VanDerWaalsContact CE-CE1 3.46Å; P199-F202 WeakPolarHBondContact O-CB 3.5Å; P199-F202 PolarHBondContact O-N 2.84Å; E200-F202 PolarHBondContact O-N 3.1Å; F202-L206 HydrophobicContact CD1-CD1 3.55Å; F202-L206 HydrophobicContact CE1-CD1 3.44Å; F202-L206 VanDerWaalsContact CE1-CD1 3.44Å; F202-L206 HydrophobicContact CZ-CD1 4.34Å; F202-L206 WeakPolarHBondContact O-CD1 3.44Å; F202-L206 VanDerWaalsContact O-CG 3.3Å; F202-L206 WeakPolarHBondContact O-CG 3.46Å
203	V	81.4	Confident	79.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-41.5	-177.6	-179.5	0	0	0	0	112.2	C175 I187 M198 P199 E200 L206 L207 Y216	C175-V203 HydrophobicContact CB-CG1 4.26Å; I187-V203 HydrophobicContact CD1-CG1 4.07Å; I187-V203 HydrophobicContact CD1-CG2 4.44Å; I187-V203 HydrophobicContact CG2-CG2 4.42Å; M198-V203 HydrophobicContact CB-CG2 3.88Å; M198-V203 HydrophobicContact CE-CG2 4.21Å; P199-V203 PolarHBondContact O-N 3.3Å; E200-V203 PolarHBondContact O-N 3.39Å; V203-L206 WeakPolarHBondContact O-CA 3.44Å; V203-L206 WeakPolarHBondContact O-CB 3.45Å; V203-L206 PolarHBondContact O-N 3.12Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 PolarHBondContact O-N 3.1Å; V203-Y216 HydrophobicContact CB-CE1 3.7Å; V203-Y216 HydrophobicContact CG1-CD1 4.05Å; V203-Y216 HydrophobicContact CG1-CE1 3.51Å; V203-Y216 HydrophobicContact CG1-CE2 4.14Å
204	L	82.9	Confident	80.3	Confident	44 Å²	44	48.5 Å²	48.5	23%	0.23	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.2	-38.9	-175.5	-76.9	165.5	0	0	0	114.7	E200 L206 K213 Y216 K217	E200-L204 HydrophobicContact CB-CD1 4.4Å; E200-L204 WeakPolarHBondContact O-CB 2.74Å; E200-L204 WeakPolarHBondContact O-CG 3.49Å; E200-L204 PolarHBondContact O-N 2.66Å; L204-L206 PolarHBondContact O-N 3.27Å; L204-K213 HydrophobicContact CD2-CB 4.28Å; L204-K213 HydrophobicContact CD2-CG 4.46Å; L204-K213 WeakPolarHBondContact O-CE 3.46Å; L204-Y216 HydrophobicContact CD2-CD1 3.87Å; L204-Y216 HydrophobicContact CD2-CE1 4.4Å; L204-Y216 HydrophobicContact CG-CD1 4.21Å; L204-Y216 HydrophobicContact CG-CE1 4.23Å; L204-K217 HydrophobicContact CD2-CG 4.35Å
205	P	84.3	Confident	80.9	Confident	86 Å²	86	51.7 Å²	51.7	56%	0.558	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.2	-9.7	173.4	-20.1	34.3	0	0	0	115.1	D201	D201-P205 WeakPolarHBondContact O-CD 3.38Å; D201-P205 VanDerWaalsContact O-CG 3.31Å; D201-P205 WeakPolarHBondContact O-CG 3.42Å
206	L	82.5	Confident	81.8	Confident	5 Å²	5	48 Å²	48	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-104.7	-2.5	-176.4	-60.5	171.8	0	0	0	113.4	L158 K168 W171 E172 F202 V203 L204	L158-L206 HydrophobicContact CD1-CD1 4.49Å; L158-L206 HydrophobicContact CD1-CD2 3.6Å; K168-L206 HydrophobicContact CG-CD2 4.06Å; W171-L206 HydrophobicContact CB-CD1 4.05Å; W171-L206 HydrophobicContact CB-CD2 4.47Å; W171-L206 HydrophobicContact CG-CD1 4.45Å; E172-L206 WeakPolarHBondContact CA-O 3.43Å; E172-L206 WeakPolarHBondContact CG-O 3.41Å; F202-L206 HydrophobicContact CD1-CD1 3.55Å; F202-L206 HydrophobicContact CE1-CD1 3.44Å; F202-L206 VanDerWaalsContact CE1-CD1 3.44Å; F202-L206 HydrophobicContact CZ-CD1 4.34Å; F202-L206 WeakPolarHBondContact O-CD1 3.44Å; F202-L206 VanDerWaalsContact O-CG 3.3Å; F202-L206 WeakPolarHBondContact O-CG 3.46Å; V203-L206 WeakPolarHBondContact O-CA 3.44Å; V203-L206 WeakPolarHBondContact O-CB 3.45Å; V203-L206 PolarHBondContact O-N 3.12Å; L204-L206 PolarHBondContact O-N 3.27Å
207	L	83.4	Confident	82.4	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-90.9	120.9	176.1	-68.7	173.5	0	0	0	110.8	C175 V179 V203 G209 L212 K213 Y216	C175-L207 HydrophobicContact CB-CD2 3.92Å; V179-L207 HydrophobicContact CB-CD2 4.34Å; V179-L207 HydrophobicContact CG2-CD1 4.31Å; V179-L207 HydrophobicContact CG2-CD2 3.94Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 PolarHBondContact O-N 3.1Å; L207-G209 PolarHBondContact O-N 2.72Å; L207-L212 HydrophobicContact CB-CB 4.44Å; L207-K213 HydrophobicContact CB-CG 3.76Å; L207-K213 HydrophobicContact CD1-CG 4.38Å; L207-K213 WeakPolarHBondContact O-CE 3.3Å; L207-Y216 HydrophobicContact CD1-CD1 3.67Å; L207-Y216 HydrophobicContact CD1-CG 3.72Å
208	P	82	Confident	82.8	Confident	72 Å²	72	55.7 Å²	55.7	47%	0.468	29%	0.285	S	S	.	.	S	Bend	trans	-75.3	122.1	179	29.2	-32.4	0	0	0	111.1	T176 L212	T176-P208 VanDerWaalsContact OG1-CD 3.3Å; T176-P208 WeakPolarHBondContact OG1-CD 3.3Å; P208-L212 HydrophobicContact CG-CD1 4.11Å
209	G	83.8	Confident	83.2	Confident	47 Å²	47	58.5 Å²	58.5	49%	0.485	30%	0.295	S	S	.	.	S	Bend	trans	79.7	151.1	179	0	0	0	0	0	114.6	L207 E211	L207-G209 PolarHBondContact O-N 2.72Å; G209-E211 PolarHBondContact O-N 3.37Å
210	E	86.1	Confident	83.6	Confident	109 Å²	109	57.9 Å²	57.9	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-29.8	-175.8	-63.5	-51.3	121.8	0	0	113.2	L212 K213 D214	E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.32Å; E210-K213 PolarHBondContact O-N 3.34Å; E210-K213 WeakPolarHBondContact OE1-CD 3.46Å; E210-K213 WeakPolarHBondContact OE1-CE 3.42Å; E210-K213 IonicContact OE1-NZ 3.96Å; E210-K213 PolarHBondContact OE1-NZ 3.32Å; E210-K213 WeakPolarHBondContact OE2-CD 3.45Å; E210-K213 IonicContact OE2-NZ 3.44Å; E210-D214 PolarHBondContact O-N 2.63Å
211	E	86.7	Confident	83.9	Confident	142 Å²	142	57.5 Å²	57.5	66%	0.664	29%	0.289	S	S	*	.	H	α-helix	trans	-58.3	-41.5	177.3	-71.4	-168.5	-158.2	0	0	113.5	G209 D214 K215	G209-E211 PolarHBondContact O-N 3.37Å; E211-D214 PolarHBondContact O-N 2.68Å; E211-K215 WeakPolarHBondContact O-CB 3.39Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.22Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 IonicContact OE2-NZ 2.61Å; E211-K215 PolarHBondContact OE2-NZ 3.27Å
212	L	85.1	Confident	84.1	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-72.8	-35.6	179	-78.8	174	0	0	0	111.1	T176 V179 K180 L207 P208 E210 K215 Y216	T176-L212 HydrophobicContact CG2-CD1 3.93Å; V179-L212 HydrophobicContact CG1-CD2 4.29Å; K180-L212 HydrophobicContact CG-CD2 4.43Å; L207-L212 HydrophobicContact CB-CB 4.44Å; P208-L212 HydrophobicContact CG-CD1 4.11Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.32Å; L212-K215 PolarHBondContact O-N 3.41Å; L212-Y216 WeakPolarHBondContact O-CB 3.48Å; L212-Y216 PolarHBondContact O-N 3.45Å
213	K	86.1	Confident	84.4	Confident	46 Å²	46	55.9 Å²	55.9	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-41.7	171.8	-64.7	173.2	-170	172.3	0	111.5	L204 L207 E210 Y216 K217	L204-K213 HydrophobicContact CD2-CB 4.28Å; L204-K213 HydrophobicContact CD2-CG 4.46Å; L204-K213 WeakPolarHBondContact O-CE 3.46Å; L207-K213 HydrophobicContact CB-CG 3.76Å; L207-K213 HydrophobicContact CD1-CG 4.38Å; L207-K213 WeakPolarHBondContact O-CE 3.3Å; E210-K213 PolarHBondContact O-N 3.34Å; E210-K213 WeakPolarHBondContact OE1-CD 3.46Å; E210-K213 WeakPolarHBondContact OE1-CE 3.42Å; E210-K213 IonicContact OE1-NZ 3.96Å; E210-K213 PolarHBondContact OE1-NZ 3.32Å; E210-K213 WeakPolarHBondContact OE2-CD 3.45Å; E210-K213 IonicContact OE2-NZ 3.44Å; K213-Y216 PolarHBondContact O-N 3.02Å; K213-K217 VanDerWaalsContact O-CG 3.23Å; K213-K217 WeakPolarHBondContact O-CG 3.48Å; K213-K217 PolarHBondContact O-N 3.32Å
214	D	85.8	Confident	84.5	Confident	60 Å²	60	56.6 Å²	56.6	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-71.6	-37.1	178.5	-87	11.9	0	0	0	112.9	E210 E211 K217 R218	E210-D214 PolarHBondContact O-N 2.63Å; E211-D214 PolarHBondContact O-N 2.68Å; D214-K217 PolarHBondContact O-N 3.42Å; D214-K217 WeakPolarHBondContact OD1-CE 3.37Å; D214-K217 IonicContact OD1-NZ 2.69Å; D214-K217 PolarHBondContact OD1-NZ 2.88Å; D214-R218 WeakPolarHBondContact O-CG 3.29Å; D214-R218 PolarHBondContact O-N 3.27Å
215	K	85.4	Confident	84.7	Confident	83 Å²	83	54.5 Å²	54.5	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-47	168.4	-75.3	164	-179	160.1	0	110.6	E211 L212 R218 Y219	E211-K215 WeakPolarHBondContact O-CB 3.39Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.22Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 IonicContact OE2-NZ 2.61Å; E211-K215 PolarHBondContact OE2-NZ 3.27Å; L212-K215 PolarHBondContact O-N 3.41Å; K215-R218 PolarHBondContact O-N 3Å; K215-Y219 HydrophobicContact CB-CE2 4.02Å; K215-Y219 WeakPolarHBondContact O-CD2 3.37Å; K215-Y219 PolarHBondContact O-N 3.1Å
216	Y	86.2	Confident	84.6	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.6	-177.7	-124.8	0	0	0	113.2	V179 G184 I187 V203 L204 L207 L212 K213 R218 Y219 L220	V179-Y216 HydrophobicContact CG2-CD2 3.58Å; V179-Y216 HydrophobicContact CG2-CE2 4.28Å; V179-Y216 HydrophobicContact CG2-CG 4.05Å; G184-Y216 WeakPolarHBondContact O-CE2 3.4Å; I187-Y216 HydrophobicContact CD1-CD2 4.25Å; I187-Y216 HydrophobicContact CD1-CE2 3.52Å; V203-Y216 HydrophobicContact CB-CE1 3.7Å; V203-Y216 HydrophobicContact CG1-CD1 4.05Å; V203-Y216 HydrophobicContact CG1-CE1 3.51Å; V203-Y216 HydrophobicContact CG1-CE2 4.14Å; L204-Y216 HydrophobicContact CD2-CD1 3.87Å; L204-Y216 HydrophobicContact CD2-CE1 4.4Å; L204-Y216 HydrophobicContact CG-CD1 4.21Å; L204-Y216 HydrophobicContact CG-CE1 4.23Å; L207-Y216 HydrophobicContact CD1-CD1 3.67Å; L207-Y216 HydrophobicContact CD1-CG 3.72Å; L212-Y216 WeakPolarHBondContact O-CB 3.48Å; L212-Y216 PolarHBondContact O-N 3.45Å; K213-Y216 PolarHBondContact O-N 3.02Å; Y216-R218 VanDerWaalsContact C-N 3.29Å; Y216-R218 PolarHBondContact O-N 3.28Å; Y216-Y219 PolarHBondContact O-N 3.09Å; Y216-L220 HydrophobicContact CD1-CD1 3.97Å; Y216-L220 HydrophobicContact CD1-CG 4.49Å; Y216-L220 HydrophobicContact CD2-CG 4.23Å; Y216-L220 HydrophobicContact CE1-CD1 3.53Å; Y216-L220 HydrophobicContact CE1-CG 4.16Å; Y216-L220 HydrophobicContact CE2-CD1 4.19Å; Y216-L220 HydrophobicContact CE2-CD2 3.97Å; Y216-L220 HydrophobicContact CE2-CG 3.89Å; Y216-L220 HydrophobicContact CG-CD1 4.46Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.02Å
217	K	85.1	Confident	84.5	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-56.2	-41.8	173.8	-70	165.4	-154.7	162.6	0	111.9	L204 K213 D214 F221	L204-K217 HydrophobicContact CD2-CG 4.35Å; K213-K217 VanDerWaalsContact O-CG 3.23Å; K213-K217 WeakPolarHBondContact O-CG 3.48Å; K213-K217 PolarHBondContact O-N 3.32Å; D214-K217 PolarHBondContact O-N 3.42Å; D214-K217 WeakPolarHBondContact OD1-CE 3.37Å; D214-K217 IonicContact OD1-NZ 2.69Å; D214-K217 PolarHBondContact OD1-NZ 2.88Å; K217-F221 WeakPolarHBondContact O-CB 3.4Å; K217-F221 PolarHBondContact O-N 2.86Å
218	R	84	Confident	84.5	Confident	162 Å²	162	54.7 Å²	54.7	61%	0.611	26%	0.263	S	S	*	.	H	α-helix	trans	-66.6	-41.6	177	-68	167.6	-153.7	-168.6	6.7	112	D214 K215 Y216 F221 R222	D214-R218 WeakPolarHBondContact O-CG 3.29Å; D214-R218 PolarHBondContact O-N 3.27Å; K215-R218 PolarHBondContact O-N 3Å; Y216-R218 VanDerWaalsContact C-N 3.29Å; Y216-R218 PolarHBondContact O-N 3.28Å; R218-F221 PolarHBondContact O-N 2.81Å; R218-R222 WeakPolarHBondContact O-CB 3.39Å; R218-R222 PolarHBondContact O-N 3.39Å
219	Y	84.6	Confident	84.5	Confident	63 Å²	63	54.6 Å²	54.6	25%	0.247	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-43.5	175.4	-59.5	-40.5	0	0	0	112	V179 K215 Y216 F221 R222 D223	V179-Y219 HydrophobicContact CG1-CD2 4.43Å; V179-Y219 HydrophobicContact CG1-CE2 4.38Å; V179-Y219 VanDerWaalsContact O-CE2 3.26Å; V179-Y219 WeakPolarHBondContact O-CE2 3.29Å; K215-Y219 HydrophobicContact CB-CE2 4.02Å; K215-Y219 WeakPolarHBondContact O-CD2 3.37Å; K215-Y219 PolarHBondContact O-N 3.1Å; Y216-Y219 PolarHBondContact O-N 3.09Å; Y219-F221 PolarHBondContact O-N 2.83Å; Y219-R222 PolarHBondContact O-N 3.26Å; Y219-D223 WeakPolarHBondContact O-CB 3.48Å; Y219-D223 PolarHBondContact O-N 3.1Å; Y219-D223 VanDerWaalsContact O-OD1 3.08Å
220	L	83.7	Confident	84.6	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-49.6	171.4	-73.1	178	0	0	0	111.6	V185 E200 Y216 R222 D223 Y224	V185-L220 HydrophobicContact CG2-CD2 3.67Å; E200-L220 HydrophobicContact CB-CD1 3.82Å; Y216-L220 HydrophobicContact CD1-CD1 3.97Å; Y216-L220 HydrophobicContact CD1-CG 4.49Å; Y216-L220 HydrophobicContact CD2-CG 4.23Å; Y216-L220 HydrophobicContact CE1-CD1 3.53Å; Y216-L220 HydrophobicContact CE1-CG 4.16Å; Y216-L220 HydrophobicContact CE2-CD1 4.19Å; Y216-L220 HydrophobicContact CE2-CD2 3.97Å; Y216-L220 HydrophobicContact CE2-CG 3.89Å; Y216-L220 HydrophobicContact CG-CD1 4.46Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.02Å; L220-R222 PolarHBondContact O-N 3.47Å; L220-D223 PolarHBondContact O-N 2.97Å; L220-Y224 HydrophobicContact CB-CD2 4.49Å; L220-Y224 HydrophobicContact CB-CE2 3.92Å; L220-Y224 WeakPolarHBondContact O-CB 3.23Å; L220-Y224 WeakPolarHBondContact O-CD1 3.35Å; L220-Y224 WeakPolarHBondContact O-CD2 3.37Å; L220-Y224 PolarHBondContact O-N 3.15Å
221	F	85.1	Confident	84.7	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.096	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-42.7	178.5	178.2	-93.6	0	0	0	112.6	Y72 S75 Q76 L79 K217 R218 Y219 Y224 V225 L233 V242	Y72-F221 AromaticContact CD2-CD1 3.98Å; Y72-F221 HydrophobicContact CD2-CD1 3.98Å; Y72-F221 HydrophobicContact CD2-CD2 4.18Å; Y72-F221 AromaticContact CD2-CE1 3.64Å; Y72-F221 HydrophobicContact CD2-CE1 3.64Å; Y72-F221 AromaticContact CD2-CE2 3.86Å; Y72-F221 HydrophobicContact CD2-CE2 3.86Å; Y72-F221 HydrophobicContact CD2-CG 4.23Å; Y72-F221 AromaticContact CD2-CZ 3.57Å; Y72-F221 HydrophobicContact CD2-CZ 3.57Å; Y72-F221 HydrophobicContact CE2-CB 4.27Å; Y72-F221 AromaticContact CE2-CD1 3.71Å; Y72-F221 HydrophobicContact CE2-CD1 3.71Å; Y72-F221 AromaticContact CE2-CD2 3.61Å; Y72-F221 HydrophobicContact CE2-CD2 3.61Å; Y72-F221 AromaticContact CE2-CE1 3.86Å; Y72-F221 HydrophobicContact CE2-CE1 3.86Å; Y72-F221 AromaticContact CE2-CE2 3.75Å; Y72-F221 HydrophobicContact CE2-CE2 3.75Å; Y72-F221 AromaticContact CE2-CG 3.58Å; Y72-F221 HydrophobicContact CE2-CG 3.58Å; Y72-F221 AromaticContact CE2-CZ 3.87Å; Y72-F221 HydrophobicContact CE2-CZ 3.87Å; Y72-F221 HydrophobicContact CG-CZ 4.4Å; S75-F221 WeakPolarHBondContact OG-CZ 3.33Å; Q76-F221 HydrophobicContact CB-CE2 4.44Å; L79-F221 HydrophobicContact CD1-CD2 4.42Å; L79-F221 HydrophobicContact CD1-CE2 4.22Å; K217-F221 WeakPolarHBondContact O-CB 3.4Å; K217-F221 PolarHBondContact O-N 2.86Å; R218-F221 PolarHBondContact O-N 2.81Å; Y219-F221 PolarHBondContact O-N 2.83Å; F221-Y224 PolarHBondContact O-N 3.3Å; F221-V225 HydrophobicContact CD1-CG2 4.36Å; F221-V225 HydrophobicContact CE1-CG2 3.94Å; F221-V225 HydrophobicContact CE2-CG2 4.18Å; F221-V225 HydrophobicContact CZ-CG2 3.84Å; F221-V225 WeakPolarHBondContact O-CG2 3.39Å; F221-V225 PolarHBondContact O-N 2.94Å; F221-L233 HydrophobicContact CE1-CD2 4.21Å; F221-V242 HydrophobicContact CE1-CG2 4.16Å; F221-V242 HydrophobicContact CZ-CG2 3.86Å
222	R	84.7	Confident	84.7	Confident	74 Å²	74	43.5 Å²	43.5	28%	0.279	19%	0.191	S	C	.	.	H	α-helix	trans	-57.8	-53.8	172.7	176.6	-158.9	63.2	-154.7	-6.8	110.6	G182 R218 Y219 L220 Y224 V225 E226 L233	G182-R222 PolarHBondContact O-NH2 2.69Å; R218-R222 WeakPolarHBondContact O-CB 3.39Å; R218-R222 PolarHBondContact O-N 3.39Å; Y219-R222 PolarHBondContact O-N 3.26Å; L220-R222 PolarHBondContact O-N 3.47Å; R222-Y224 PolarHBondContact O-N 3.42Å; R222-V225 PolarHBondContact O-N 3.35Å; R222-V225 VanDerWaalsContact O-N 3.17Å; R222-E226 HydrophobicContact CG-CG 4.18Å; R222-E226 WeakPolarHBondContact O-CB 3.17Å; R222-E226 WeakPolarHBondContact O-CG 3.28Å; R222-E226 PolarHBondContact O-N 3.13Å; R222-L233 HydrophobicContact CB-CD1 4.24Å; R222-L233 HydrophobicContact CG-CD1 3.83Å
223	D	83.2	Confident	84.8	Confident	32 Å²	32	43.8 Å²	43.8	17%	0.171	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-34.7	-178.1	-63.3	-0.2	0	0	0	111.4	G184 V185 Y219 L220 S227	G184-D223 WeakPolarHBondContact CA-OD2 3.45Å; G184-D223 PolarHBondContact N-OD2 3.02Å; G184-D223 VanDerWaalsContact N-OD2 3.13Å; V185-D223 HydrophobicContact CB-CB 4.23Å; V185-D223 HydrophobicContact CG2-CB 3.61Å; V185-D223 PolarHBondContact N-OD2 3.11Å; Y219-D223 WeakPolarHBondContact O-CB 3.48Å; Y219-D223 PolarHBondContact O-N 3.1Å; Y219-D223 VanDerWaalsContact O-OD1 3.08Å; L220-D223 PolarHBondContact O-N 2.97Å; D223-S227 VanDerWaalsContact O-CB 3.29Å; D223-S227 WeakPolarHBondContact O-CB 3.41Å; D223-S227 PolarHBondContact O-N 3.47Å; D223-S227 VanDerWaalsContact O-N 3.12Å; D223-S227 PolarHBondContact O-OG 2.87Å
224	Y	84.8	Confident	84.9	Confident	15 Å²	15	42.1 Å²	42.1	6%	0.059	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-47.8	173.2	-63.8	-23.4	0	0	0	112.3	K98 V102 W106 V185 E200 L220 F221 R222 S227 H228	K98-Y224 HydrophobicContact CB-CE1 4.24Å; K98-Y224 HydrophobicContact CD-CE2 4.13Å; V102-Y224 HydrophobicContact CG2-CD1 3.43Å; V102-Y224 VanDerWaalsContact CG2-CD1 3.43Å; V102-Y224 HydrophobicContact CG2-CE1 3.75Å; W106-Y224 HydrophobicContact CH2-CG 4.46Å; W106-Y224 AromaticContact CZ2-CD1 3.87Å; W106-Y224 HydrophobicContact CZ2-CD1 3.87Å; W106-Y224 AromaticContact CZ2-CG 3.88Å; W106-Y224 HydrophobicContact CZ2-CG 3.88Å; W106-Y224 PolarHBondContact NE1-O 2.92Å; V185-Y224 HydrophobicContact CG2-CD1 3.83Å; V185-Y224 HydrophobicContact CG2-CE1 3.38Å; E200-Y224 PolarHBondContact OE2-OH 2.92Å; E200-Y224 VanDerWaalsContact OE2-OH 3.1Å; L220-Y224 HydrophobicContact CB-CD2 4.49Å; L220-Y224 HydrophobicContact CB-CE2 3.92Å; L220-Y224 WeakPolarHBondContact O-CB 3.23Å; L220-Y224 WeakPolarHBondContact O-CD1 3.35Å; L220-Y224 WeakPolarHBondContact O-CD2 3.37Å; L220-Y224 PolarHBondContact O-N 3.15Å; F221-Y224 PolarHBondContact O-N 3.3Å; R222-Y224 PolarHBondContact O-N 3.42Å; Y224-S227 PolarHBondContact O-OG 2.86Å; Y224-S227 VanDerWaalsContact O-OG 3.1Å; Y224-H228 WeakPolarHBondContact O-CB 3.28Å; Y224-H228 PolarHBondContact O-N 2.99Å
225	V	85.8	Confident	84.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-42.1	178.4	174.4	0	0	0	0	111.6	L79 F221 R222 S227 H228 L231 L233 V242	L79-V225 HydrophobicContact CD1-CG2 4.17Å; F221-V225 HydrophobicContact CD1-CG2 4.36Å; F221-V225 HydrophobicContact CE1-CG2 3.94Å; F221-V225 HydrophobicContact CE2-CG2 4.18Å; F221-V225 HydrophobicContact CZ-CG2 3.84Å; F221-V225 WeakPolarHBondContact O-CG2 3.39Å; F221-V225 PolarHBondContact O-N 2.94Å; R222-V225 PolarHBondContact O-N 3.35Å; R222-V225 VanDerWaalsContact O-N 3.17Å; V225-S227 VanDerWaalsContact C-N 3.31Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-H228 PolarHBondContact O-N 3.42Å; V225-L231 HydrophobicContact CG1-CB 4.02Å; V225-L233 HydrophobicContact CB-CG 4.27Å; V225-L233 HydrophobicContact CG1-CD2 4.24Å; V225-L233 HydrophobicContact CG1-CG 3.81Å; V225-V242 HydrophobicContact CG1-CG1 3.86Å; V225-V242 HydrophobicContact CG1-CG2 4.27Å; V225-V242 HydrophobicContact CG2-CG1 4.47Å; V225-V242 HydrophobicContact CG2-CG2 4.09Å
226	E	82.1	Confident	84.4	Confident	82 Å²	82	39.3 Å²	39.3	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-68.2	-27	179.3	-71.1	-169.6	177.1	0	0	113.7	R222 L233 R267	R222-E226 HydrophobicContact CG-CG 4.18Å; R222-E226 WeakPolarHBondContact O-CB 3.17Å; R222-E226 WeakPolarHBondContact O-CG 3.28Å; R222-E226 PolarHBondContact O-N 3.13Å; E226-L233 HydrophobicContact CG-CD1 4.5Å; E226-R267 IonicContact OE1-CZ 3.5Å; E226-R267 IonicContact OE1-NH1 2.63Å; E226-R267 PolarHBondContact OE1-NH1 3.33Å; E226-R267 IonicContact OE1-NH2 2.72Å; E226-R267 PolarHBondContact OE1-NH2 3.45Å; E226-R267 VanDerWaalsContact OE1-NH2 3.14Å; E226-R267 IonicContact OE2-NH2 3.78Å
227	S	81.9	Confident	84	Confident	15 Å²	15	43.9 Å²	43.9	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-83.8	-14.3	174.9	54.6	0	0	0	0	113.6	H105 W106 D223 Y224 V225	H105-S227 CarbonylContact C-O 3.48Å; H105-S227 VanDerWaalsContact CA-O 3.23Å; H105-S227 WeakPolarHBondContact CA-O 3.48Å; H105-S227 PolarHBondContact ND1-O 3.26Å; W106-S227 PolarHBondContact NE1-OG 2.66Å; D223-S227 VanDerWaalsContact O-CB 3.29Å; D223-S227 WeakPolarHBondContact O-CB 3.41Å; D223-S227 PolarHBondContact O-N 3.47Å; D223-S227 VanDerWaalsContact O-N 3.12Å; D223-S227 PolarHBondContact O-OG 2.87Å; Y224-S227 PolarHBondContact O-OG 2.86Å; Y224-S227 VanDerWaalsContact O-OG 3.1Å; V225-S227 VanDerWaalsContact C-N 3.31Å; V225-S227 PolarHBondContact O-N 2.9Å
228	H	83.3	Confident	83.6	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.019	25%	0.247	C	C	.	.			trans	-88.5	114.6	-172.6	-174.6	-55.2	0	0	0	112.6	E82 W106 Y224 V225 Q230 L231	E82-H228 IonicContact OE1-NE2 2.66Å; E82-H228 IonicContact OE2-CD2 2.68Å; E82-H228 IonicContact OE2-NE2 2.68Å; E82-H228 PolarHBondContact OE2-NE2 2.68Å; E82-H228 VanDerWaalsContact OE2-NE2 3.08Å; W106-H228 HydrophobicContact CB-CB 4.16Å; W106-H228 VanDerWaalsContact CB-CD2 3.43Å; W106-H228 WeakPolarHBondContact CB-CD2 3.34Å; W106-H228 VanDerWaalsContact CD1-CA 3.44Å; W106-H228 HydrophobicContact CD2-CB 4.31Å; W106-H228 AromaticContact CD2-CD2 3.57Å; W106-H228 AromaticContact CE3-CD2 3.72Å; W106-H228 HydrophobicContact CG-CB 3.76Å; W106-H228 AromaticContact CG-CD2 3.43Å; W106-H228 VanDerWaalsContact CG-CD2 3.43Å; W106-H228 AromaticContact CG-CG 3.78Å; Y224-H228 WeakPolarHBondContact O-CB 3.28Å; Y224-H228 PolarHBondContact O-N 2.99Å; V225-H228 PolarHBondContact O-N 3.42Å; H228-Q230 VanDerWaalsContact C-N 3.34Å; H228-Q230 PolarHBondContact ND1-N 3.13Å; H228-Q230 VanDerWaalsContact ND1-N 3.15Å; H228-Q230 PolarHBondContact O-N 3.09Å; H228-Q230 VanDerWaalsContact O-N 3.1Å; H228-L231 HydrophobicContact CB-CB 4.13Å; H228-L231 HydrophobicContact CB-CD1 4.23Å; H228-L231 HydrophobicContact CB-CG 4.35Å; H228-L231 PolarHBondContact ND1-N 3.05Å; H228-L231 PolarHBondContact O-N 3.4Å; H228-L231 VanDerWaalsContact O-O 3.1Å
229	F	82	Confident	83.5	Confident	71 Å²	71	40.9 Å²	40.9	31%	0.311	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-38.6	-173	74.3	-65.4	0	0	0	116.4	H105 W106 Q107 P248	H105-F229 WeakPolarHBondContact O-CD1 3.25Å; W106-F229 HydrophobicContact CB-CD1 4.44Å; Q107-F229 HydrophobicContact CG-CD1 4.36Å; F229-P248 HydrophobicContact CD2-CG 4.37Å; F229-P248 WeakPolarHBondContact O-CB 3.28Å
230	Q	85.6	Confident	83.3	Confident	39 Å²	39	40.7 Å²	40.7	18%	0.182	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.6	177.6	-73.2	176.3	-21.4	0	0	116.3	H228 K244 V245 Q246	H228-Q230 VanDerWaalsContact C-N 3.34Å; H228-Q230 PolarHBondContact ND1-N 3.13Å; H228-Q230 VanDerWaalsContact ND1-N 3.15Å; H228-Q230 PolarHBondContact O-N 3.09Å; H228-Q230 VanDerWaalsContact O-N 3.1Å; Q230-K244 WeakPolarHBondContact O-CA 3.49Å; Q230-V245 HydrophobicContact CB-CG2 4.42Å; Q230-V245 VanDerWaalsContact CB-O 3.28Å; Q230-V245 WeakPolarHBondContact CB-O 3.39Å; Q230-V245 VanDerWaalsContact CG-O 3.23Å; Q230-V245 WeakPolarHBondContact CG-O 3.43Å; Q230-V245 PolarHBondContact O-N 3.28Å; Q230-Q246 PolarHBondContact NE2-O 2.99Å
231	L	87.5	Confident	83.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.7	-177.9	-60.2	177	0	0	0	110.2	L70 L79 V225 H228 V242 I243 K244	L70-L231 HydrophobicContact CD1-CD2 4.38Å; L79-L231 HydrophobicContact CD2-CD1 3.84Å; L79-L231 HydrophobicContact CG-CD1 4.19Å; V225-L231 HydrophobicContact CG1-CB 4.02Å; H228-L231 HydrophobicContact CB-CB 4.13Å; H228-L231 HydrophobicContact CB-CD1 4.23Å; H228-L231 HydrophobicContact CB-CG 4.35Å; H228-L231 PolarHBondContact ND1-N 3.05Å; H228-L231 PolarHBondContact O-N 3.4Å; H228-L231 VanDerWaalsContact O-O 3.1Å; L231-V242 HydrophobicContact CB-CG1 3.86Å; L231-V242 HydrophobicContact CD1-CG1 4.49Å; L231-V242 HydrophobicContact CD2-CG1 3.93Å; L231-V242 HydrophobicContact CG-CG1 4.3Å; L231-I243 WeakPolarHBondContact CA-O 3.39Å; L231-K244 HydrophobicContact CD2-CB 3.59Å; L231-K244 HydrophobicContact CD2-CD 3.97Å; L231-K244 HydrophobicContact CD2-CG 3.77Å
232	Q	87.1	Confident	83.5	Confident	23 Å²	23	39.9 Å²	39.9	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	138.1	173.8	-164.6	70.4	-90.1	0	0	110.3	V242 I243 F262 F264 R267	Q232-V242 CarbonylContact O-C 3.59Å; Q232-V242 WeakPolarHBondContact O-CA 3.37Å; Q232-I243 PolarHBondContact N-O 3.25Å; Q232-I243 PolarHBondContact O-N 3.36Å; Q232-F262 HydrophobicContact CG-CE2 4.37Å; Q232-F264 HydrophobicContact CB-CD2 3.72Å; Q232-F264 HydrophobicContact CB-CE2 3.34Å; Q232-F264 HydrophobicContact CB-CZ 3.94Å; Q232-F264 HydrophobicContact CG-CD2 4.46Å; Q232-F264 HydrophobicContact CG-CE2 4.42Å; Q232-F264 PolarHBondContact NE2-O 2.92Å; Q232-R267 HydrophobicContact CG-CG 3.91Å
233	L	87.7	Confident	83.7	Confident	33 Å²	33	36.4 Å²	36.4	17%	0.173	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.5	170.8	-71.7	167.9	0	0	0	110.7	F221 R222 V225 E226 V242	F221-L233 HydrophobicContact CE1-CD2 4.21Å; R222-L233 HydrophobicContact CB-CD1 4.24Å; R222-L233 HydrophobicContact CG-CD1 3.83Å; V225-L233 HydrophobicContact CB-CG 4.27Å; V225-L233 HydrophobicContact CG1-CD2 4.24Å; V225-L233 HydrophobicContact CG1-CG 3.81Å; E226-L233 HydrophobicContact CG-CD1 4.5Å; L233-V242 HydrophobicContact CD2-CG2 4.03Å
234	C	86.9	Confident	83.8	Confident	12 Å²	12	37.4 Å²	37.4	8%	0.081	22%	0.216	C	C	.	.			trans	-62.9	136	166	-174.5	0	0	0	0	110.5	G236 C239 I241 C258	C234-G236 VanDerWaalsContact C-N 3.29Å; C234-G236 PolarHBondContact O-N 2.92Å; C234-C239 HydrophobicContact CB-CB 4.16Å; C234-I241 WeakPolarHBondContact CB-O 3.32Å; C234-I241 PolarHBondContact N-O 3.07Å; C234-I241 VanDerWaalsContact N-O 3.08Å; C234-C258 PolarHBondContact SG-SG 3.02Å
235	P	83.2	Confident	83.9	Confident	65 Å²	65	36.9 Å²	36.9	42%	0.422	21%	0.214	S	C	.	.			trans	-79.5	-7.8	176.9	32.9	-36	0	0	0	113.7	E260 F262	P235-E260 HydrophobicContact CG-CG 4.34Å; P235-F262 VanDerWaalsContact CD-CD1 3.48Å; P235-F262 VanDerWaalsContact CD-CE1 3.41Å; P235-F262 HydrophobicContact CG-CB 4.02Å; P235-F262 HydrophobicContact CG-CD1 3.83Å; P235-F262 HydrophobicContact CG-CD2 4.14Å; P235-F262 HydrophobicContact CG-CE1 4.28Å; P235-F262 HydrophobicContact CG-CG 3.75Å
236	G	78.8	Confident	83.6	Confident	18 Å²	18	43 Å²	43	19%	0.186	24%	0.243	C	C	.	.	S	Bend	trans	-66.7	140.4	179.3	0	0	0	0	0	112.5	C234 D238 C239	C234-G236 VanDerWaalsContact C-N 3.29Å; C234-G236 PolarHBondContact O-N 2.92Å; G236-D238 PolarHBondContact O-N 3.45Å; G236-C239 VanDerWaalsContact O-CB 3.27Å; G236-C239 WeakPolarHBondContact O-CB 3.47Å; G236-C239 PolarHBondContact O-N 3.27Å
237	A	77.9	Confident	83.4	Confident	100 Å²	100	43.5 Å²	43.5	83%	0.826	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	129.8	-178.6	0	0	0	0	0	112.1	C239	A237-C239 PolarHBondContact O-N 2.59Å
238	D	76.1	Confident	83	Confident	165 Å²	165	45.8 Å²	45.8	88%	0.882	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	27	-179	-64.1	-48.8	0	0	0	115.9	G236 P240	G236-D238 PolarHBondContact O-N 3.45Å; D238-P240 VanDerWaalsContact O-CD 3.26Å; D238-P240 WeakPolarHBondContact O-CD 3.32Å
239	C	80.8	Confident	82.8	Confident	17 Å²	17	49.9 Å²	49.9	12%	0.115	28%	0.275	C	S	.	.			trans	-89.1	108.2	180	-170.8	0	0	0	0	112.1	C234 G236 A237 I241	C234-C239 HydrophobicContact CB-CB 4.16Å; G236-C239 VanDerWaalsContact O-CB 3.27Å; G236-C239 WeakPolarHBondContact O-CB 3.47Å; G236-C239 PolarHBondContact O-N 3.27Å; A237-C239 PolarHBondContact O-N 2.59Å; C239-I241 PolarHBondContact O-N 3.29Å
240	P	81.3	Confident	82.5	Confident	58 Å²	58	48.6 Å²	48.6	38%	0.377	27%	0.274	S	S	.	.			trans	-85.9	29.4	-174.7	38.9	-38.9	0	0	0	113	Y72 D238	Y72-P240 PolarHBondContact N-O 3.13Å; D238-P240 VanDerWaalsContact O-CD 3.26Å; D238-P240 WeakPolarHBondContact O-CD 3.32Å
241	I	85.9	Confident	82.2	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.9	-178.1	-61.1	-60.1	0	0	0	109.8	C69 C234 C239 R257	C69-I241 HydrophobicContact CB-CG2 3.81Å; C234-I241 WeakPolarHBondContact CB-O 3.32Å; C234-I241 PolarHBondContact N-O 3.07Å; C234-I241 VanDerWaalsContact N-O 3.08Å; C239-I241 PolarHBondContact O-N 3.29Å; I241-R257 HydrophobicContact CD1-CB 4.48Å; I241-R257 HydrophobicContact CG1-CB 3.89Å
242	V	87.3	Confident	81.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.3	171.5	179.2	0	0	0	0	107.9	L70 F221 V225 L231 Q232 L233	L70-V242 PolarHBondContact N-O 3Å; L70-V242 PolarHBondContact O-N 3.41Å; F221-V242 HydrophobicContact CE1-CG2 4.16Å; F221-V242 HydrophobicContact CZ-CG2 3.86Å; V225-V242 HydrophobicContact CG1-CG1 3.86Å; V225-V242 HydrophobicContact CG1-CG2 4.27Å; V225-V242 HydrophobicContact CG2-CG1 4.47Å; V225-V242 HydrophobicContact CG2-CG2 4.09Å; L231-V242 HydrophobicContact CB-CG1 3.86Å; L231-V242 HydrophobicContact CD1-CG1 4.49Å; L231-V242 HydrophobicContact CD2-CG1 3.93Å; L231-V242 HydrophobicContact CG-CG1 4.3Å; Q232-V242 CarbonylContact O-C 3.59Å; Q232-V242 WeakPolarHBondContact O-CA 3.37Å; L233-V242 HydrophobicContact CD2-CG2 4.03Å
243	I	87.6	Confident	81.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.2	172.4	-57.9	-166.7	0	0	0	108.7	F67 T68 L231 Q232 V245 V253 F262	F67-I243 HydrophobicContact CB-CG2 3.82Å; F67-I243 HydrophobicContact CD2-CG2 3.87Å; F67-I243 HydrophobicContact CG-CG2 4.14Å; T68-I243 WeakPolarHBondContact O-CA 3.47Å; L231-I243 WeakPolarHBondContact CA-O 3.39Å; Q232-I243 PolarHBondContact N-O 3.25Å; Q232-I243 PolarHBondContact O-N 3.36Å; I243-V245 HydrophobicContact CG2-CG1 4.27Å; I243-V253 HydrophobicContact CD1-CB 3.87Å; I243-V253 HydrophobicContact CD1-CG2 3.93Å; I243-V253 HydrophobicContact CG2-CB 4.27Å; I243-V253 HydrophobicContact CG2-CG1 4.17Å; I243-F262 HydrophobicContact CD1-CE1 3.66Å; I243-F262 HydrophobicContact CD1-CZ 3.52Å; I243-F262 HydrophobicContact CG1-CZ 4.18Å
244	K	86.4	Confident	81.8	Confident	53 Å²	53	51.8 Å²	51.8	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.6	170.1	-177.3	162.9	-176.9	158.4	0	110.3	F67 T68 L70 Q230 L231	F67-K244 CarbonylContact C-O 3.46Å; F67-K244 VanDerWaalsContact CA-O 3.3Å; F67-K244 WeakPolarHBondContact CA-O 3.41Å; T68-K244 PolarHBondContact N-O 2.87Å; T68-K244 PolarHBondContact O-N 2.83Å; L70-K244 HydrophobicContact CD1-CB 3.84Å; L70-K244 HydrophobicContact CD1-CD 4.17Å; L70-K244 HydrophobicContact CG-CB 4.22Å; Q230-K244 WeakPolarHBondContact O-CA 3.49Å; L231-K244 HydrophobicContact CD2-CB 3.59Å; L231-K244 HydrophobicContact CD2-CD 3.97Å; L231-K244 HydrophobicContact CD2-CG 3.77Å
245	V	85.8	Confident	81.7	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.1	178.6	-58.5	0	0	0	0	110.6	Y65 F67 Q230 I243 V253 F264	Y65-V245 HydrophobicContact CE1-CB 3.72Å; Y65-V245 HydrophobicContact CE1-CG1 3.76Å; Y65-V245 WeakPolarHBondContact OH-CB 3.49Å; F67-V245 HydrophobicContact CB-CG1 4.05Å; Q230-V245 HydrophobicContact CB-CG2 4.42Å; Q230-V245 VanDerWaalsContact CB-O 3.28Å; Q230-V245 WeakPolarHBondContact CB-O 3.39Å; Q230-V245 VanDerWaalsContact CG-O 3.23Å; Q230-V245 WeakPolarHBondContact CG-O 3.43Å; Q230-V245 PolarHBondContact O-N 3.28Å; I243-V245 HydrophobicContact CG2-CG1 4.27Å; V245-V253 HydrophobicContact CG1-CG1 4.49Å; V245-F264 HydrophobicContact CB-CD2 4.46Å; V245-F264 HydrophobicContact CB-CE2 4.19Å; V245-F264 HydrophobicContact CB-CZ 4.39Å; V245-F264 HydrophobicContact CG1-CD2 3.44Å; V245-F264 VanDerWaalsContact CG1-CD2 3.44Å; V245-F264 HydrophobicContact CG1-CE2 3.5Å; V245-F264 HydrophobicContact CG1-CG 4.01Å; V245-F264 HydrophobicContact CG1-CZ 4.15Å; V245-F264 HydrophobicContact CG2-CD1 4.17Å; V245-F264 HydrophobicContact CG2-CD2 4.18Å; V245-F264 HydrophobicContact CG2-CE1 3.64Å; V245-F264 HydrophobicContact CG2-CE2 3.62Å; V245-F264 HydrophobicContact CG2-CG 4.44Å; V245-F264 HydrophobicContact CG2-CZ 3.35Å
246	Q	79.6	Confident	81.8	Confident	129 Å²	129	52.6 Å²	52.6	60%	0.603	29%	0.291	S	S	*	.	S	Bend	trans	-81.3	-40.4	175.7	-61.2	-171.6	8	0	0	111.8	Y65 Q230	Y65-Q246 PolarHBondContact OH-N 3.36Å; Q230-Q246 PolarHBondContact NE2-O 2.99Å
247	E	77.8	Confident	82	Confident	93 Å²	93	60 Å²	60	44%	0.435	31%	0.313	S	S	.	.	S	Bend	trans	-130.3	128	-178.6	-63.1	-171.6	156.9	0	0	111.7	Y65 R249	Y65-E247 PolarHBondContact OH-N 3.06Å; Y65-E247 PolarHBondContact OH-O 3.05Å; E247-R249 VanDerWaalsContact C-N 3.27Å; E247-R249 HydrophobicContact CB-CG 4.35Å; E247-R249 PolarHBondContact O-N 2.67Å; E247-R249 IonicContact OE1-NH2 3.54Å; E247-R249 IonicContact OE2-CZ 2.64Å; E247-R249 IonicContact OE2-NE 3.33Å; E247-R249 PolarHBondContact OE2-NE 3.17Å; E247-R249 IonicContact OE2-NH2 3.48Å; E247-R249 PolarHBondContact OE2-NH2 3.14Å
248	P	74.8	Confident	82.2	Confident	63 Å²	63	57.8 Å²	57.8	41%	0.409	29%	0.291	S	S	.	.			trans	-75.9	66.7	-175.5	31.5	-37.2	0	0	0	114.4	F229 F264	F229-P248 HydrophobicContact CD2-CG 4.37Å; F229-P248 WeakPolarHBondContact O-CB 3.28Å; P248-F264 HydrophobicContact CB-CE1 4.12Å
249	R	78.3	Confident	82.4	Confident	90 Å²	90	53.7 Å²	53.7	34%	0.34	28%	0.276	S	S	.	.			trans	-94.5	157.1	176.4	-63.3	-160.9	-162.3	-153.2	9.2	112.2	E247 R251 T501	E247-R249 VanDerWaalsContact C-N 3.27Å; E247-R249 HydrophobicContact CB-CG 4.35Å; E247-R249 PolarHBondContact O-N 2.67Å; E247-R249 IonicContact OE1-NH2 3.54Å; E247-R249 IonicContact OE2-CZ 2.64Å; E247-R249 IonicContact OE2-NE 3.33Å; E247-R249 PolarHBondContact OE2-NE 3.17Å; E247-R249 IonicContact OE2-NH2 3.48Å; E247-R249 PolarHBondContact OE2-NH2 3.14Å; R249-R251 HydrophobicContact CB-CG 3.7Å; R249-R251 PolarHBondContact O-N 2.82Å; R249-T501 PolarHBondContact NH1-OXT 3.46Å
250	P	75.4	Confident	82.3	Confident	44 Å²	44	56.5 Å²	56.5	29%	0.286	29%	0.287	S	S	.	.	S	Bend	trans	-77.1	57	177.1	34.5	-37.7	0	0	0	112.6	C263 K265 C276	P250-C263 VanDerWaalsContact C-SG 3.54Å; P250-C263 VanDerWaalsContact CA-SG 3.54Å; P250-K265 HydrophobicContact CB-CB 3.97Å; P250-K265 HydrophobicContact CB-CD 4.2Å; P250-C276 VanDerWaalsContact CB-SG 3.53Å
251	R	80.1	Confident	82.4	Confident	22 Å²	22	55 Å²	55	8%	0.083	28%	0.277	C	S	.	.			trans	-97.1	164.7	-174.1	-62.7	-74.9	168.7	156.6	-4.5	111.9	P62 Y65 R249 C263 F264 T501	P62-R251 PolarHBondContact O-NH1 3.43Å; Y65-R251 HydrophobicContact CD1-CB 4.45Å; Y65-R251 HydrophobicContact CD2-CB 3.9Å; Y65-R251 HydrophobicContact CD2-CG 3.64Å; Y65-R251 HydrophobicContact CE2-CG 4.24Å; Y65-R251 HydrophobicContact CG-CB 3.81Å; Y65-R251 HydrophobicContact CG-CG 4.08Å; R249-R251 HydrophobicContact CB-CG 3.7Å; R249-R251 PolarHBondContact O-N 2.82Å; R251-C263 WeakPolarHBondContact O-CA 3.16Å; R251-F264 PolarHBondContact O-N 3.16Å; R251-T501 PolarHBondContact NH2-OXT 2.88Å
252	R	82.3	Confident	82.4	Confident	73 Å²	73	54.5 Å²	54.5	28%	0.275	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.5	176.1	-174.1	-176.4	178.5	-79.6	-5.1	108.8	Q254 V261 Y270	R252-Q254 VanDerWaalsContact NH1-OE1 3.14Å; R252-V261 HydrophobicContact CG-CG1 3.79Å; R252-Y270 VanDerWaalsContact CA-CD2 3.5Å; R252-Y270 HydrophobicContact CB-CD1 3.86Å; R252-Y270 HydrophobicContact CB-CD2 3.72Å; R252-Y270 HydrophobicContact CB-CE1 3.91Å; R252-Y270 HydrophobicContact CB-CE2 3.8Å; R252-Y270 HydrophobicContact CB-CG 3.75Å; R252-Y270 HydrophobicContact CG-CD1 3.96Å; R252-Y270 HydrophobicContact CG-CD2 4.39Å; R252-Y270 HydrophobicContact CG-CE1 4.39Å; R252-Y270 HydrophobicContact CG-CG 3.94Å; R252-Y270 VanDerWaalsContact N-CE2 3.29Å
253	V	84.5	Confident	82.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.1	169	-66.1	0	0	0	0	109.4	F67 I243 V245 V261 F262 F264	F67-V253 HydrophobicContact CB-CG1 4.11Å; F67-V253 HydrophobicContact CD1-CB 4.35Å; F67-V253 HydrophobicContact CD1-CG1 3.91Å; F67-V253 HydrophobicContact CG-CB 4.38Å; F67-V253 HydrophobicContact CG-CG1 3.95Å; I243-V253 HydrophobicContact CD1-CB 3.87Å; I243-V253 HydrophobicContact CD1-CG2 3.93Å; I243-V253 HydrophobicContact CG2-CB 4.27Å; I243-V253 HydrophobicContact CG2-CG1 4.17Å; V245-V253 HydrophobicContact CG1-CG1 4.49Å; V253-V261 WeakPolarHBondContact O-CA 3.35Å; V253-F262 HydrophobicContact CG2-CD1 4.09Å; V253-F262 HydrophobicContact CG2-CD2 3.78Å; V253-F262 HydrophobicContact CG2-CE1 3.92Å; V253-F262 HydrophobicContact CG2-CE2 3.62Å; V253-F262 HydrophobicContact CG2-CG 4.03Å; V253-F262 HydrophobicContact CG2-CZ 3.69Å; V253-F262 WeakPolarHBondContact CG2-O 3.29Å; V253-F262 PolarHBondContact N-O 3.35Å; V253-F262 PolarHBondContact O-N 3.25Å; V253-F264 HydrophobicContact CG1-CB 4.13Å; V253-F264 HydrophobicContact CG2-CB 4.19Å
254	Q	86.1	Confident	82.2	Confident	69 Å²	69	54.8 Å²	54.8	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.1	-177.3	-178.9	171.1	-23.7	0	0	109.6	F67 R252 E260 V261	F67-Q254 WeakPolarHBondContact CE2-O 3.4Å; F67-Q254 HydrophobicContact CZ-CB 4.22Å; R252-Q254 VanDerWaalsContact NH1-OE1 3.14Å; Q254-E260 WeakPolarHBondContact CA-O 3.43Å; Q254-V261 HydrophobicContact CB-CG2 4.33Å; Q254-V261 HydrophobicContact CG-CG2 3.98Å
255	C	86.4	Confident	82.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	29%	0.292	C	S	.	.			trans	-77.4	130	179.1	-176.3	0	0	0	0	111.3	R257 C258 S259 E260	C255-R257 VanDerWaalsContact C-N 3.25Å; C255-R257 PolarHBondContact O-N 2.95Å; C255-R257 PolarHBondContact SG-N 3.04Å; C255-C258 VanDerWaalsContact CB-SG 3.51Å; C255-S259 WeakPolarHBondContact O-CA 3.12Å; C255-S259 PolarHBondContact O-N 2.9Å; C255-E260 PolarHBondContact N-O 3.48Å
256	S	84.6	Confident	81.8	Confident	92 Å²	92	59.5 Å²	59.5	64%	0.643	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.4	176.8	57	0	0	0	0	114.7	C69	C69-S256 WeakPolarHBondContact CB-OG 3.31Å
257	R	83.1	Confident	81.8	Confident	173 Å²	173	57.8 Å²	57.8	65%	0.653	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-40.4	-176.4	-179.2	175	171.2	174.3	-4.9	114.4	I241 C255	I241-R257 HydrophobicContact CD1-CB 4.48Å; I241-R257 HydrophobicContact CG1-CB 3.89Å; C255-R257 VanDerWaalsContact C-N 3.25Å; C255-R257 PolarHBondContact O-N 2.95Å; C255-R257 PolarHBondContact SG-N 3.04Å
258	C	81.3	Confident	82	Confident	54 Å²	54	58.2 Å²	58.2	37%	0.365	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	1.8	-176.8	62.9	0	0	0	0	113.4	C234 C255 E260	C234-C258 PolarHBondContact SG-SG 3.02Å; C255-C258 VanDerWaalsContact CB-SG 3.51Å; C258-E260 PolarHBondContact O-N 3.26Å
259	S	81.2	Confident	82.1	Confident	79 Å²	79	59.9 Å²	59.9	55%	0.552	29%	0.292	S	S	*	.			trans	58.4	1.8	-177.3	-63.4	0	0	0	0	116.4	C255 V261	C255-S259 WeakPolarHBondContact O-CA 3.12Å; C255-S259 PolarHBondContact O-N 2.9Å; S259-V261 WeakPolarHBondContact O-CG2 3.47Å
260	E	79.3	Confident	82.2	Confident	77 Å²	77	55.9 Å²	55.9	36%	0.36	28%	0.277	S	S	.	.			trans	-60.4	140.3	-179.2	-172.2	52.8	-98.3	0	0	112.6	P235 Q254 C255 C258	P235-E260 HydrophobicContact CG-CG 4.34Å; Q254-E260 WeakPolarHBondContact CA-O 3.43Å; C255-E260 PolarHBondContact N-O 3.48Å; C258-E260 PolarHBondContact O-N 3.26Å
261	V	83	Confident	82.2	Confident	27 Å²	27	54 Å²	54	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.5	-169	-178.4	0	0	0	0	110.7	R252 V253 Q254 S259	R252-V261 HydrophobicContact CG-CG1 3.79Å; V253-V261 WeakPolarHBondContact O-CA 3.35Å; Q254-V261 HydrophobicContact CB-CG2 4.33Å; Q254-V261 HydrophobicContact CG-CG2 3.98Å; S259-V261 WeakPolarHBondContact O-CG2 3.47Å
262	F	86.1	Confident	81.9	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.9	-172.2	64.2	-79.6	0	0	0	112.7	Q232 P235 I243 V253 Q268	Q232-F262 HydrophobicContact CG-CE2 4.37Å; P235-F262 VanDerWaalsContact CD-CD1 3.48Å; P235-F262 VanDerWaalsContact CD-CE1 3.41Å; P235-F262 HydrophobicContact CG-CB 4.02Å; P235-F262 HydrophobicContact CG-CD1 3.83Å; P235-F262 HydrophobicContact CG-CD2 4.14Å; P235-F262 HydrophobicContact CG-CE1 4.28Å; P235-F262 HydrophobicContact CG-CG 3.75Å; I243-F262 HydrophobicContact CD1-CE1 3.66Å; I243-F262 HydrophobicContact CD1-CZ 3.52Å; I243-F262 HydrophobicContact CG1-CZ 4.18Å; V253-F262 HydrophobicContact CG2-CD1 4.09Å; V253-F262 HydrophobicContact CG2-CD2 3.78Å; V253-F262 HydrophobicContact CG2-CE1 3.92Å; V253-F262 HydrophobicContact CG2-CE2 3.62Å; V253-F262 HydrophobicContact CG2-CG 4.03Å; V253-F262 HydrophobicContact CG2-CZ 3.69Å; V253-F262 WeakPolarHBondContact CG2-O 3.29Å; V253-F262 PolarHBondContact N-O 3.35Å; V253-F262 PolarHBondContact O-N 3.25Å; F262-Q268 WeakPolarHBondContact CA-O 3.36Å; F262-Q268 WeakPolarHBondContact CB-O 3.33Å
263	C	86.7	Confident	81.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.3	171.3	177.8	0	0	0	0	109.9	P250 R251 K265 C266 R267 Q268 Y270	P250-C263 VanDerWaalsContact C-SG 3.54Å; P250-C263 VanDerWaalsContact CA-SG 3.54Å; R251-C263 WeakPolarHBondContact O-CA 3.16Å; C263-K265 PolarHBondContact O-N 3.33Å; C263-K265 VanDerWaalsContact O-N 3.09Å; C263-C266 VanDerWaalsContact CB-SG 3.56Å; C263-C266 PolarHBondContact O-N 2.87Å; C263-R267 PolarHBondContact O-N 2.86Å; C263-Q268 PolarHBondContact N-O 3.26Å; C263-Y270 HydrophobicContact CB-CD2 4.32Å
264	F	84.4	Confident	80.8	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.6	-177.6	178.4	-91.8	0	0	0	113.6	Q232 V245 P248 R251 V253	Q232-F264 HydrophobicContact CB-CD2 3.72Å; Q232-F264 HydrophobicContact CB-CE2 3.34Å; Q232-F264 HydrophobicContact CB-CZ 3.94Å; Q232-F264 HydrophobicContact CG-CD2 4.46Å; Q232-F264 HydrophobicContact CG-CE2 4.42Å; Q232-F264 PolarHBondContact NE2-O 2.92Å; V245-F264 HydrophobicContact CB-CD2 4.46Å; V245-F264 HydrophobicContact CB-CE2 4.19Å; V245-F264 HydrophobicContact CB-CZ 4.39Å; V245-F264 HydrophobicContact CG1-CD2 3.44Å; V245-F264 VanDerWaalsContact CG1-CD2 3.44Å; V245-F264 HydrophobicContact CG1-CE2 3.5Å; V245-F264 HydrophobicContact CG1-CG 4.01Å; V245-F264 HydrophobicContact CG1-CZ 4.15Å; V245-F264 HydrophobicContact CG2-CD1 4.17Å; V245-F264 HydrophobicContact CG2-CD2 4.18Å; V245-F264 HydrophobicContact CG2-CE1 3.64Å; V245-F264 HydrophobicContact CG2-CE2 3.62Å; V245-F264 HydrophobicContact CG2-CG 4.44Å; V245-F264 HydrophobicContact CG2-CZ 3.35Å; P248-F264 HydrophobicContact CB-CE1 4.12Å; R251-F264 PolarHBondContact O-N 3.16Å; V253-F264 HydrophobicContact CG1-CB 4.13Å; V253-F264 HydrophobicContact CG2-CB 4.19Å
265	K	82.6	Confident	80.6	Confident	133 Å²	133	50.2 Å²	50.2	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-24.2	-172.4	-174	167.2	-176	170.1	0	114.9	P250 C263	P250-K265 HydrophobicContact CB-CB 3.97Å; P250-K265 HydrophobicContact CB-CD 4.2Å; C263-K265 PolarHBondContact O-N 3.33Å; C263-K265 VanDerWaalsContact O-N 3.09Å
266	C	80.2	Confident	80.5	Confident	23 Å²	23	50.8 Å²	50.8	16%	0.155	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-8.9	-173.9	72.2	0	0	0	0	114.6	C263 Q268 H271 C276	C263-C266 VanDerWaalsContact CB-SG 3.56Å; C263-C266 PolarHBondContact O-N 2.87Å; C266-Q268 PolarHBondContact O-N 3.15Å; C266-H271 VanDerWaalsContact SG-CD2 3.54Å; C266-H271 PolarHBondContact SG-NE2 3.47Å; C266-C276 HydrophobicContact CB-CB 3.96Å
267	R	79.9	Confident	80.4	Confident	93 Å²	93	48.6 Å²	48.6	35%	0.351	25%	0.245	S	C	.	.	S	Bend	trans	60.7	4	-176.5	-56.5	-168.8	-80.5	-178	-7.3	115.8	E226 Q232 C263	E226-R267 IonicContact OE1-CZ 3.5Å; E226-R267 IonicContact OE1-NH1 2.63Å; E226-R267 PolarHBondContact OE1-NH1 3.33Å; E226-R267 IonicContact OE1-NH2 2.72Å; E226-R267 PolarHBondContact OE1-NH2 3.45Å; E226-R267 VanDerWaalsContact OE1-NH2 3.14Å; E226-R267 IonicContact OE2-NH2 3.78Å; Q232-R267 HydrophobicContact CG-CG 3.91Å; C263-R267 PolarHBondContact O-N 2.86Å
268	Q	80.8	Confident	80.4	Confident	102 Å²	102	41.3 Å²	41.3	48%	0.477	22%	0.22	S	C	.	.	S	Bend	trans	-84.3	168.7	168	-57.4	-60.9	-32.8	0	0	110.4	F262 C263 C266 L283	F262-Q268 WeakPolarHBondContact CA-O 3.36Å; F262-Q268 WeakPolarHBondContact CB-O 3.33Å; C263-Q268 PolarHBondContact N-O 3.26Å; C266-Q268 PolarHBondContact O-N 3.15Å; Q268-L283 HydrophobicContact CG-CD1 4.41Å
269	M	78.4	Confident	80.6	Confident	97 Å²	97	39 Å²	39	48%	0.478	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-48.1	147.2	170.8	-60.9	-168.7	94.8	0	0	112	H271 Y429	M269-H271 PolarHBondContact O-CD2 3.01Å; M269-H271 PolarHBondContact O-N 2.89Å; M269-H271 VanDerWaalsContact O-N 3.09Å; M269-Y429 HydrophobicContact CE-CE2 4.14Å
270	Y	80.4	Confident	80.7	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.027	21%	0.205	C	C	.	.			trans	-67	107.5	-175.5	177.6	-111.6	0	0	0	112.8	R252 C263 A272 Y429	R252-Y270 VanDerWaalsContact CA-CD2 3.5Å; R252-Y270 HydrophobicContact CB-CD1 3.86Å; R252-Y270 HydrophobicContact CB-CD2 3.72Å; R252-Y270 HydrophobicContact CB-CE1 3.91Å; R252-Y270 HydrophobicContact CB-CE2 3.8Å; R252-Y270 HydrophobicContact CB-CG 3.75Å; R252-Y270 HydrophobicContact CG-CD1 3.96Å; R252-Y270 HydrophobicContact CG-CD2 4.39Å; R252-Y270 HydrophobicContact CG-CE1 4.39Å; R252-Y270 HydrophobicContact CG-CG 3.94Å; R252-Y270 VanDerWaalsContact N-CE2 3.29Å; C263-Y270 HydrophobicContact CB-CD2 4.32Å; Y270-A272 HydrophobicContact CE1-CB 3.69Å; Y270-A272 HydrophobicContact CE2-CB 4.2Å; Y270-A272 VanDerWaalsContact CZ-CB 3.5Å; Y270-A272 WeakPolarHBondContact OH-CB 3.13Å; Y270-Y429 PolarHBondContact N-OH 3.3Å; Y270-Y429 WeakPolarHBondContact O-CE1 3.36Å; Y270-Y429 PolarHBondContact O-OH 2.83Å
271	H	74.7	Confident	80.9	Confident	4 Å²	4	45 Å²	45	2%	0.019	22%	0.215	C	C	.	.			trans	-105.1	28	-158.8	55.7	67.4	0	0	0	114.9	C266 M269 T274 C276 I279 Y433	C266-H271 VanDerWaalsContact SG-CD2 3.54Å; C266-H271 PolarHBondContact SG-NE2 3.47Å; M269-H271 PolarHBondContact O-CD2 3.01Å; M269-H271 PolarHBondContact O-N 2.89Å; M269-H271 VanDerWaalsContact O-N 3.09Å; H271-T274 PolarHBondContact CE1-O 3.29Å; H271-T274 VanDerWaalsContact CE1-O 3.31Å; H271-T274 PolarHBondContact ND1-O 3.22Å; H271-T274 PolarHBondContact ND1-OG1 3.11Å; H271-T274 WeakPolarHBondContact O-CA 3.21Å; H271-T274 WeakPolarHBondContact O-CB 3.23Å; H271-T274 PolarHBondContact O-N 3.1Å; H271-T274 PolarHBondContact O-OG1 3.29Å; H271-C276 PolarHBondContact CE1-N 2.89Å; H271-C276 PolarHBondContact CE1-SG 3Å; H271-C276 PolarHBondContact NE2-SG 2.89Å; H271-I279 HydrophobicContact CB-CB 4.33Å; H271-I279 HydrophobicContact CB-CG1 4.07Å; H271-I279 HydrophobicContact CB-CG2 4.41Å; H271-Y433 HydrophobicContact CB-CD1 3.32Å; H271-Y433 HydrophobicContact CB-CE1 3.3Å; H271-Y433 HydrophobicContact CB-CG 4.11Å
272	A	74.6	Confident	80.9	Confident	3 Å²	3	43.8 Å²	43.8	3%	0.025	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	137.5	178.3	0	0	0	0	0	111.7	Y270 Y433 L495	Y270-A272 HydrophobicContact CE1-CB 3.69Å; Y270-A272 HydrophobicContact CE2-CB 4.2Å; Y270-A272 VanDerWaalsContact CZ-CB 3.5Å; Y270-A272 WeakPolarHBondContact OH-CB 3.13Å; A272-Y433 WeakPolarHBondContact O-CB 3.2Å; A272-L495 HydrophobicContact CB-CD2 4.03Å
273	P	70.8	Confident	80.7	Confident	5 Å²	5	47 Å²	47	3%	0.032	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.7	-4	13.6	33.8	-37.8	0	0	0	116.8	T434 F450 L494 L495	P273-T434 HydrophobicContact CG-CG2 4.17Å; P273-F450 HydrophobicContact CG-CE2 4.46Å; P273-F450 HydrophobicContact CG-CZ 4.33Å; P273-L494 HydrophobicContact CG-CD2 4.14Å; P273-L495 HydrophobicContact CB-CD2 4.23Å
274	T	73.3	Confident	80.4	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	-65.8	151.5	-179	58.6	0	0	0	0	113.5	H271 T278 Y433 P436 Y437	H271-T274 PolarHBondContact CE1-O 3.29Å; H271-T274 VanDerWaalsContact CE1-O 3.31Å; H271-T274 PolarHBondContact ND1-O 3.22Å; H271-T274 PolarHBondContact ND1-OG1 3.11Å; H271-T274 WeakPolarHBondContact O-CA 3.21Å; H271-T274 WeakPolarHBondContact O-CB 3.23Å; H271-T274 PolarHBondContact O-N 3.1Å; H271-T274 PolarHBondContact O-OG1 3.29Å; T274-T278 HydrophobicContact CG2-CG2 4.14Å; T274-Y433 VanDerWaalsContact CG2-O 3.31Å; T274-Y433 WeakPolarHBondContact CG2-O 3.36Å; T274-P436 HydrophobicContact CG2-CB 4.23Å; T274-Y437 HydrophobicContact CG2-CD2 4.26Å; T274-Y437 HydrophobicContact CG2-CG 4.44Å
275	D	81.6	Confident	80	Confident	72 Å²	72	52.7 Å²	52.7	39%	0.385	26%	0.255	S	S	.	.			trans	-82.2	161.8	167.3	70	-84.7	0	0	0	112.6	A277 T278 I279	D275-A277 PolarHBondContact O-N 3.35Å; D275-A277 VanDerWaalsContact O-N 3.15Å; D275-A277 WeakPolarHBondContact OD2-CA 3.46Å; D275-A277 WeakPolarHBondContact OD2-CB 3.5Å; D275-A277 PolarHBondContact OD2-N 2.83Å; D275-T278 PolarHBondContact O-N 2.94Å; D275-T278 WeakPolarHBondContact OD1-CB 3.3Å; D275-T278 PolarHBondContact OD1-OG1 2.58Å; D275-T278 PolarHBondContact OD2-N 3.41Å; D275-T278 PolarHBondContact OD2-OG1 3.08Å; D275-I279 WeakPolarHBondContact O-CG2 3.44Å; D275-I279 PolarHBondContact O-N 3.15Å; D275-I279 VanDerWaalsContact O-N 3.16Å
276	C	83.6	Confident	79.5	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.081	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.5	-176.1	-55.3	0	0	0	0	115.3	P250 C266 H271 R280	P250-C276 VanDerWaalsContact CB-SG 3.53Å; C266-C276 HydrophobicContact CB-CB 3.96Å; H271-C276 PolarHBondContact CE1-N 2.89Å; H271-C276 PolarHBondContact CE1-SG 3Å; H271-C276 PolarHBondContact NE2-SG 2.89Å; C276-R280 WeakPolarHBondContact O-CB 3.34Å
277	A	83.4	Confident	79.1	Confident	46 Å²	46	49 Å²	49	38%	0.38	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-40.5	177.9	0	0	0	0	0	110.9	D275 R280 K281	D275-A277 PolarHBondContact O-N 3.35Å; D275-A277 VanDerWaalsContact O-N 3.15Å; D275-A277 WeakPolarHBondContact OD2-CA 3.46Å; D275-A277 WeakPolarHBondContact OD2-CB 3.5Å; D275-A277 PolarHBondContact OD2-N 2.83Å; A277-R280 PolarHBondContact O-N 2.84Å; A277-K281 WeakPolarHBondContact O-CG 3.07Å; A277-K281 PolarHBondContact O-N 3.25Å
278	T	82.9	Confident	78.6	Confident	21 Å²	21	50.5 Å²	50.5	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-50.3	173.6	-66.6	0	0	0	0	111.7	T274 D275 R280 K281 W282 Y440	T274-T278 HydrophobicContact CG2-CG2 4.14Å; D275-T278 PolarHBondContact O-N 2.94Å; D275-T278 WeakPolarHBondContact OD1-CB 3.3Å; D275-T278 PolarHBondContact OD1-OG1 2.58Å; D275-T278 PolarHBondContact OD2-N 3.41Å; D275-T278 PolarHBondContact OD2-OG1 3.08Å; T278-R280 VanDerWaalsContact C-N 3.29Å; T278-R280 PolarHBondContact O-N 2.9Å; T278-K281 PolarHBondContact O-N 3.03Å; T278-W282 PolarHBondContact O-N 3.46Å; T278-Y440 HydrophobicContact CG2-CD2 3.51Å; T278-Y440 HydrophobicContact CG2-CE2 4.18Å; T278-Y440 HydrophobicContact CG2-CG 4.15Å
279	I	84.1	Confident	77.8	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-34.3	177.8	-171.3	56	0	0	0	112.4	H271 D275 W282 L283 W379 Y433	H271-I279 HydrophobicContact CB-CB 4.33Å; H271-I279 HydrophobicContact CB-CG1 4.07Å; H271-I279 HydrophobicContact CB-CG2 4.41Å; D275-I279 WeakPolarHBondContact O-CG2 3.44Å; D275-I279 PolarHBondContact O-N 3.15Å; D275-I279 VanDerWaalsContact O-N 3.16Å; I279-W282 WeakPolarHBondContact O-CB 3.27Å; I279-W282 PolarHBondContact O-N 3.47Å; I279-L283 HydrophobicContact CD1-CD1 4.38Å; I279-L283 HydrophobicContact CD1-CG 4.16Å; I279-L283 HydrophobicContact CG1-CD1 4.02Å; I279-L283 HydrophobicContact CG1-CG 4.28Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.37Å; I279-L283 PolarHBondContact O-N 3.04Å; I279-W379 HydrophobicContact CD1-CH2 3.63Å; I279-W379 HydrophobicContact CD1-CZ2 4.32Å; I279-W379 HydrophobicContact CD1-CZ3 4.35Å; I279-Y433 HydrophobicContact CD1-CD1 4.06Å; I279-Y433 HydrophobicContact CD1-CE1 3.78Å; I279-Y433 HydrophobicContact CG1-CE1 4.23Å
280	R	84.4	Confident	76.9	Confident	154 Å²	154	45.4 Å²	45.4	58%	0.581	25%	0.246	S	C	*	.	H	α-helix	trans	-66.8	-46.3	177.3	-167.9	-171.4	-51.9	148.9	6.2	111.4	C276 A277 T278 W282 L283 T284	C276-R280 WeakPolarHBondContact O-CB 3.34Å; A277-R280 PolarHBondContact O-N 2.84Å; T278-R280 VanDerWaalsContact C-N 3.29Å; T278-R280 PolarHBondContact O-N 2.9Å; R280-W282 VanDerWaalsContact C-N 3.28Å; R280-W282 PolarHBondContact O-N 2.81Å; R280-L283 PolarHBondContact O-N 2.99Å; R280-T284 PolarHBondContact O-N 3.43Å; R280-T284 PolarHBondContact O-OG1 3.29Å; R280-T284 VanDerWaalsContact O-OG1 3.1Å
281	K	83.4	Confident	75.6	Confident	130 Å²	130	53.4 Å²	53.4	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-58.9	-40.5	174.1	-72	173	178	179.9	0	111.7	A277 T278 K285	A277-K281 WeakPolarHBondContact O-CG 3.07Å; A277-K281 PolarHBondContact O-N 3.25Å; T278-K281 PolarHBondContact O-N 3.03Å; K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.61Å; K281-K285 VanDerWaalsContact O-N 3.14Å
282	W	82.6	Confident	74.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-57.5	174.6	-171.5	-109.3	0	0	0	110.8	T278 I279 R280 T284 K285 C286 Y371 F375 W379 P436 Y439 Y440	T278-W282 PolarHBondContact O-N 3.46Å; I279-W282 WeakPolarHBondContact O-CB 3.27Å; I279-W282 PolarHBondContact O-N 3.47Å; R280-W282 VanDerWaalsContact C-N 3.28Å; R280-W282 PolarHBondContact O-N 2.81Å; W282-T284 VanDerWaalsContact C-N 3.34Å; W282-T284 PolarHBondContact O-N 2.72Å; W282-K285 PolarHBondContact O-N 3.18Å; W282-K285 VanDerWaalsContact O-N 3.1Å; W282-C286 WeakPolarHBondContact O-CB 3.46Å; W282-C286 PolarHBondContact O-N 3.35Å; W282-C286 PolarHBondContact O-SG 3.33Å; W282-Y371 HydrophobicContact CE3-CE2 4.39Å; W282-Y371 HydrophobicContact CH2-CD2 4.01Å; W282-Y371 AromaticContact CH2-CE2 3.92Å; W282-Y371 HydrophobicContact CH2-CE2 3.92Å; W282-Y371 AromaticContact CZ3-CD2 3.86Å; W282-Y371 HydrophobicContact CZ3-CD2 3.86Å; W282-Y371 AromaticContact CZ3-CE2 3.86Å; W282-Y371 HydrophobicContact CZ3-CE2 3.86Å; W282-F375 HydrophobicContact CH2-CB 4Å; W282-F375 HydrophobicContact CZ2-CB 3.92Å; W282-F375 HydrophobicContact CZ2-CD2 4.02Å; W282-F375 HydrophobicContact CZ2-CG 4.49Å; W282-W379 HydrophobicContact CZ2-CB 4.14Å; W282-W379 HydrophobicContact CZ2-CG 4.38Å; W282-W379 AromaticContact NE1-CD2 3.43Å; W282-W379 AromaticContact NE1-CE2 3.65Å; W282-W379 AromaticContact NE1-CE3 3.73Å; W282-W379 AromaticContact NE1-CG 3.74Å; W282-P436 HydrophobicContact CB-CB 4.23Å; W282-P436 HydrophobicContact CD2-CB 3.79Å; W282-P436 HydrophobicContact CD2-CG 3.89Å; W282-P436 HydrophobicContact CE3-CB 4.14Å; W282-P436 HydrophobicContact CG-CB 3.83Å; W282-P436 HydrophobicContact CG-CG 3.87Å; W282-P436 HydrophobicContact CZ2-CG 4.36Å; W282-Y439 HydrophobicContact CE3-CD1 4.27Å; W282-Y439 AromaticContact CZ3-CD1 3.86Å; W282-Y439 HydrophobicContact CZ3-CD1 3.86Å; W282-Y439 HydrophobicContact CZ3-CD2 4.09Å; W282-Y439 HydrophobicContact CZ3-CE1 4.27Å; W282-Y439 HydrophobicContact CZ3-CE2 4.47Å; W282-Y439 AromaticContact CZ3-CG 3.77Å; W282-Y439 HydrophobicContact CZ3-CG 3.77Å; W282-Y440 HydrophobicContact CB-CE2 4.27Å; W282-Y440 AromaticContact CE3-CE2 3.94Å; W282-Y440 HydrophobicContact CE3-CE2 3.94Å
283	L	82	Confident	73.2	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.356	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-38.3	-178.2	-69.7	172.5	0	0	0	113.6	Q268 I279 R280 C286 A287	Q268-L283 HydrophobicContact CG-CD1 4.41Å; I279-L283 HydrophobicContact CD1-CD1 4.38Å; I279-L283 HydrophobicContact CD1-CG 4.16Å; I279-L283 HydrophobicContact CG1-CD1 4.02Å; I279-L283 HydrophobicContact CG1-CG 4.28Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.37Å; I279-L283 PolarHBondContact O-N 3.04Å; R280-L283 PolarHBondContact O-N 2.99Å; L283-C286 PolarHBondContact O-N 3Å; L283-A287 PolarHBondContact O-N 3.44Å; L283-A287 VanDerWaalsContact O-N 3.09Å
284	T	81.1	Confident	72.4	Confident	77 Å²	77	62.8 Å²	62.8	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-51.8	172.6	-59.1	0	0	0	0	110.8	R280 W282 C286 A287 D288	R280-T284 PolarHBondContact O-N 3.43Å; R280-T284 PolarHBondContact O-OG1 3.29Å; R280-T284 VanDerWaalsContact O-OG1 3.1Å; W282-T284 VanDerWaalsContact C-N 3.34Å; W282-T284 PolarHBondContact O-N 2.72Å; T284-C286 VanDerWaalsContact C-N 3.27Å; T284-C286 PolarHBondContact O-N 3.17Å; T284-A287 WeakPolarHBondContact O-CB 3.33Å; T284-A287 PolarHBondContact O-N 3.48Å; T284-D288 VanDerWaalsContact O-CG 3.31Å; T284-D288 PolarHBondContact O-N 3.41Å; T284-D288 VanDerWaalsContact O-N 3.08Å
285	K	75.8	Confident	71	Confident	51 Å²	51	72.9 Å²	72.9	22%	0.222	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-37.3	177.1	-176.8	173.9	178.8	179.5	0	112.6	K281 W282 A287 D288 D289 Y371	K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.61Å; K281-K285 VanDerWaalsContact O-N 3.14Å; W282-K285 PolarHBondContact O-N 3.18Å; W282-K285 VanDerWaalsContact O-N 3.1Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 2.9Å; K285-D288 PolarHBondContact O-N 2.99Å; K285-D289 WeakPolarHBondContact CE-OD2 3.4Å; K285-D289 WeakPolarHBondContact CG-OD2 3.37Å; K285-D289 IonicContact NZ-OD2 2.78Å; K285-D289 PolarHBondContact O-N 3.5Å; K285-Y371 HydrophobicContact CD-CD2 3.86Å; K285-Y371 HydrophobicContact CD-CE2 3.73Å; K285-Y371 HydrophobicContact CD-CG 4.39Å; K285-Y371 VanDerWaalsContact CE-CD2 3.48Å; K285-Y371 HydrophobicContact CG-CE2 3.97Å
286	C	72.3	Confident	69.3	Low	16 Å²	16	74.9 Å²	74.9	11%	0.108	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-32.6	176	-64.8	0	0	0	0	112.7	W282 L283 T284 S290 Y371 F375	W282-C286 WeakPolarHBondContact O-CB 3.46Å; W282-C286 PolarHBondContact O-N 3.35Å; W282-C286 PolarHBondContact O-SG 3.33Å; L283-C286 PolarHBondContact O-N 3Å; T284-C286 VanDerWaalsContact C-N 3.27Å; T284-C286 PolarHBondContact O-N 3.17Å; C286-S290 VanDerWaalsContact O-CB 3.29Å; C286-S290 WeakPolarHBondContact O-CB 3.43Å; C286-Y371 WeakPolarHBondContact CA-OH 3.45Å; C286-F375 HydrophobicContact CB-CD2 4.5Å; C286-F375 HydrophobicContact CB-CE2 3.83Å; C286-F375 HydrophobicContact CB-CZ 4.42Å; C286-F375 VanDerWaalsContact SG-CD2 3.52Å; C286-F375 WeakPolarHBondContact SG-CE2 3.16Å
287	A	72.3	Confident	67.8	Low	63 Å²	63	75.1 Å²	75.1	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-69.9	-52.3	171.6	0	0	0	0	0	110.6	L283 T284 K285 D289 S290	L283-A287 PolarHBondContact O-N 3.44Å; L283-A287 VanDerWaalsContact O-N 3.09Å; T284-A287 WeakPolarHBondContact O-CB 3.33Å; T284-A287 PolarHBondContact O-N 3.48Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 2.9Å; A287-D289 PolarHBondContact O-N 3.38Å; A287-S290 PolarHBondContact O-N 3.06Å; A287-S290 PolarHBondContact O-OG 3.08Å
288	D	68.1	Low	66.4	Low	124 Å²	124	75.9 Å²	75.9	66%	0.663	40%	0.395	S	S	*	.	H	α-helix	trans	-60.5	-40.9	-174.1	-58.8	-29.2	0	0	0	113.5	T284 K285	T284-D288 VanDerWaalsContact O-CG 3.31Å; T284-D288 PolarHBondContact O-N 3.41Å; T284-D288 VanDerWaalsContact O-N 3.08Å; K285-D288 PolarHBondContact O-N 2.99Å
289	D	64.4	Low	65.2	Low	58 Å²	58	81.1 Å²	81.1	31%	0.31	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.3	-176.6	-75.8	-25.3	0	0	0	114.2	K285 A287 E291 Y371	K285-D289 WeakPolarHBondContact CE-OD2 3.4Å; K285-D289 WeakPolarHBondContact CG-OD2 3.37Å; K285-D289 IonicContact NZ-OD2 2.78Å; K285-D289 PolarHBondContact O-N 3.5Å; A287-D289 PolarHBondContact O-N 3.38Å; D289-E291 PolarHBondContact O-N 3.05Å; D289-Y371 HydrophobicContact CB-CE1 3.7Å; D289-Y371 WeakPolarHBondContact OD2-CD1 3.3Å; D289-Y371 WeakPolarHBondContact OD2-CE1 3.43Å
290	S	59.1	Low	64.3	Low	33 Å²	33	83.5 Å²	83.5	23%	0.231	43%	0.433	C	S	.	.	H	α-helix	trans	-62.8	-46.2	-162.9	54.2	0	0	0	0	115.9	C286 A287 T292 A293 N294	C286-S290 VanDerWaalsContact O-CB 3.29Å; C286-S290 WeakPolarHBondContact O-CB 3.43Å; A287-S290 PolarHBondContact O-N 3.06Å; A287-S290 PolarHBondContact O-OG 3.08Å; S290-T292 VanDerWaalsContact C-N 3.26Å; S290-T292 PolarHBondContact O-N 3.09Å; S290-A293 PolarHBondContact O-N 3.38Å; S290-N294 PolarHBondContact O-N 2.85Å; S290-N294 VanDerWaalsContact O-N 3.13Å
291	E	52.9	Low	63.9	Low	175 Å²	175	79.3 Å²	79.3	82%	0.818	42%	0.419	S	S	*	.	H	α-helix	trans	-66	-26.5	-169.4	-63.6	-163.2	153.9	0	0	113.6	D289	D289-E291 PolarHBondContact O-N 3.05Å
292	T	46.8	Very low	63.7	Low	116 Å²	116	77.1 Å²	77.1	71%	0.712	41%	0.413	S	S	*	.	H	α-helix	trans	-86	-32.7	177.7	-58.2	0	0	0	0	112.5	S290	S290-T292 VanDerWaalsContact C-N 3.26Å; S290-T292 PolarHBondContact O-N 3.09Å
293	A	52.2	Low	63.6	Low	7 Å²	7	77.1 Å²	77.1	6%	0.058	41%	0.413	C	S	.	.	H	α-helix	trans	-73.1	-43	179.6	0	0	0	0	0	112.3	S290 Y295 I296 L372 F375	S290-A293 PolarHBondContact O-N 3.38Å; A293-Y295 PolarHBondContact O-N 2.74Å; A293-Y295 VanDerWaalsContact O-N 3.09Å; A293-I296 PolarHBondContact O-N 3.16Å; A293-L372 HydrophobicContact CB-CD2 4.04Å; A293-F375 HydrophobicContact CB-CE1 4.45Å
294	N	53.8	Low	63.6	Low	86 Å²	86	76.7 Å²	76.7	46%	0.46	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	-176.7	-73.5	-14.6	0	0	0	113.9	S290 I296 S297	S290-N294 PolarHBondContact O-N 2.85Å; S290-N294 VanDerWaalsContact O-N 3.13Å; N294-I296 VanDerWaalsContact C-N 3.26Å; N294-I296 PolarHBondContact O-N 2.97Å; N294-S297 PolarHBondContact O-OG 2.84Å
295	Y	44.6	Very low	63.6	Low	218 Å²	218	79.6 Å²	79.6	86%	0.855	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.7	177.6	-167.4	-99.6	0	0	0	113.5	A293	A293-Y295 PolarHBondContact O-N 2.74Å; A293-Y295 VanDerWaalsContact O-N 3.09Å
296	I	44.7	Very low	64	Low	114 Å²	114	79.2 Å²	79.2	59%	0.585	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-27.2	-177.5	-59.1	177.6	0	0	0	111.4	A293 N294 A298	A293-I296 PolarHBondContact O-N 3.16Å; N294-I296 VanDerWaalsContact C-N 3.26Å; N294-I296 PolarHBondContact O-N 2.97Å; I296-A298 VanDerWaalsContact C-N 3.33Å; I296-A298 PolarHBondContact O-N 3.01Å
297	S	53.7	Low	64.3	Low	16 Å²	16	84.3 Å²	84.3	11%	0.112	45%	0.45	C	S	.	.			trans	-76.4	76.3	-176.9	72.3	0	0	0	0	112.6	N294 H299	N294-S297 PolarHBondContact O-OG 2.84Å; S297-H299 PolarHBondContact O-N 3.44Å
298	A	53.6	Low	64.7	Low	63 Å²	63	84.3 Å²	84.3	52%	0.521	44%	0.44	S	S	.	.			trans	-57	133.9	171.8	0	0	0	0	0	111	I296 T300	I296-A298 VanDerWaalsContact C-N 3.33Å; I296-A298 PolarHBondContact O-N 3.01Å; A298-T300 WeakPolarHBondContact CB-O 3.45Å; A298-T300 PolarHBondContact O-N 3.21Å
299	H	58	Low	65.2	Low	131 Å²	131	82 Å²	82	61%	0.606	43%	0.433	S	S	*	.	S	Bend	trans	-71.8	-12.4	177.2	-72.8	67.5	0	0	0	112.3	S297	S297-H299 PolarHBondContact O-N 3.44Å
300	T	65.3	Low	65.8	Low	54 Å²	54	80.3 Å²	80.3	33%	0.331	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.2	173.9	53.5	0	0	0	0	111.2	A298 C309 I310 E311	A298-T300 WeakPolarHBondContact CB-O 3.45Å; A298-T300 PolarHBondContact O-N 3.21Å; T300-C309 WeakPolarHBondContact CB-SG 3.5Å; T300-I310 CarbonylContact C-O 3.58Å; T300-I310 WeakPolarHBondContact CA-O 3.47Å; T300-I310 WeakPolarHBondContact CB-O 3.21Å; T300-E311 HydrophobicContact CG2-CB 3.96Å; T300-E311 HydrophobicContact CG2-CG 4.27Å
301	K	74.5	Confident	66.7	Low	66 Å²	66	85.2 Å²	85.2	29%	0.287	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.5	173.1	-59.6	-178.6	-171.1	-178.8	0	110.6	I310 W330 L333	K301-I310 PolarHBondContact N-O 2.97Å; K301-I310 PolarHBondContact O-N 3.44Å; K301-W330 HydrophobicContact CB-CE3 4.29Å; K301-W330 HydrophobicContact CB-CH2 3.7Å; K301-W330 HydrophobicContact CB-CZ2 4.34Å; K301-W330 HydrophobicContact CB-CZ3 3.65Å; K301-W330 HydrophobicContact CD-CD2 3.95Å; K301-W330 HydrophobicContact CD-CE3 4.05Å; K301-W330 HydrophobicContact CD-CH2 4.01Å; K301-W330 HydrophobicContact CD-CZ2 3.83Å; K301-W330 HydrophobicContact CD-CZ3 4.1Å; K301-W330 HydrophobicContact CG-CE3 4.41Å; K301-W330 HydrophobicContact CG-CH2 3.6Å; K301-W330 HydrophobicContact CG-CZ2 3.73Å; K301-W330 HydrophobicContact CG-CZ3 3.95Å; K301-W330 PolarHBondContact NZ-O 2.78Å; K301-L333 HydrophobicContact CB-CD2 4.46Å; K301-L333 HydrophobicContact CD-CD2 4.21Å
302	D	79.6	Confident	67.7	Low	84 Å²	84	78.2 Å²	78.2	45%	0.449	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.3	177.4	-66.8	-35.5	0	0	0	112.1	I308 C309	D302-I308 WeakPolarHBondContact CA-O 3.4Å; D302-C309 WeakPolarHBondContact OD1-CA 2.9Å; D302-C309 PolarHBondContact OD1-N 3.01Å
303	C	80.2	Confident	68.8	Low	0 Å²	0	79.4 Å²	79.4	0%	0	41%	0.412	C	S	.	.			trans	-63.1	127.6	173.8	-179.3	0	0	0	0	111.1	K305 C306 N307 I308 I310 C321	C303-K305 PolarHBondContact O-N 3.24Å; C303-C306 PolarHBondContact O-N 3.41Å; C303-C306 VanDerWaalsContact SG-SG 3.68Å; C303-N307 WeakPolarHBondContact O-CA 3.31Å; C303-N307 PolarHBondContact O-N 3.47Å; C303-I308 PolarHBondContact N-O 2.62Å; C303-I310 HydrophobicContact CB-CD1 3.81Å; C303-C321 HydrophobicContact CB-CB 4.39Å; C303-C321 VanDerWaalsContact SG-CB 3.59Å
304	P	82.3	Confident	69.7	Low	59 Å²	59	79.4 Å²	79.4	38%	0.383	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.9	-174.5	25.7	-37.3	0	0	0	114.9	F328 L333	P304-F328 HydrophobicContact CG-CB 4.13Å; P304-F328 HydrophobicContact CG-CD2 4.2Å; P304-F328 HydrophobicContact CG-CG 4.08Å; P304-L333 HydrophobicContact CB-CB 4.43Å; P304-L333 WeakPolarHBondContact CB-O 3.41Å; P304-L333 WeakPolarHBondContact CG-O 3.41Å
305	K	81.3	Confident	70.6	Confident	138 Å²	138	75.3 Å²	75.3	60%	0.6	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-17.4	-176.7	-169.7	173.7	-178.3	179.7	0	114.6	C303 H326	C303-K305 PolarHBondContact O-N 3.24Å; K305-H326 HydrophobicContact CD-CB 3.98Å
306	C	83.6	Confident	72.2	Confident	42 Å²	42	65.2 Å²	65.2	28%	0.284	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	4.5	-174.7	67.9	0	0	0	0	115.4	C303 I308 C321 C324	C303-C306 PolarHBondContact O-N 3.41Å; C303-C306 VanDerWaalsContact SG-SG 3.68Å; C306-I308 PolarHBondContact O-N 3.03Å; C306-I308 VanDerWaalsContact O-N 3.08Å; C306-C321 VanDerWaalsContact SG-SG 3.63Å; C306-C324 HydrophobicContact CB-CB 4.47Å
307	N	79.9	Confident	73.8	Confident	123 Å²	123	59.8 Å²	59.8	66%	0.658	32%	0.324	S	S	*	.			trans	52	33.3	173.7	-61.7	81.9	0	0	0	114.6	C303	C303-N307 WeakPolarHBondContact O-CA 3.31Å; C303-N307 PolarHBondContact O-N 3.47Å
308	I	80.9	Confident	75.1	Confident	64 Å²	64	60.6 Å²	60.6	33%	0.328	33%	0.326	S	S	.	.			trans	-92.6	125.7	168.8	-72	180	0	0	0	108.5	D302 C303 C306 I310 K323	D302-I308 WeakPolarHBondContact CA-O 3.4Å; C303-I308 PolarHBondContact N-O 2.62Å; C306-I308 PolarHBondContact O-N 3.03Å; C306-I308 VanDerWaalsContact O-N 3.08Å; I308-I310 PolarHBondContact O-N 2.89Å; I308-K323 HydrophobicContact CD1-CB 4.07Å; I308-K323 HydrophobicContact CD1-CD 3.24Å; I308-K323 HydrophobicContact CD1-CG 4.29Å
309	C	77.4	Confident	76.5	Confident	74 Å²	74	58.4 Å²	58.4	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	119	168	-179.9	0	0	0	0	110.4	T300 D302	T300-C309 WeakPolarHBondContact CB-SG 3.5Å; D302-C309 WeakPolarHBondContact OD1-CA 2.9Å; D302-C309 PolarHBondContact OD1-N 3.01Å
310	I	76.9	Confident	77.7	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.9	176.7	-69.3	169	0	0	0	108	T300 K301 C303 I308 M319 C321 F328 W330	T300-I310 CarbonylContact C-O 3.58Å; T300-I310 WeakPolarHBondContact CA-O 3.47Å; T300-I310 WeakPolarHBondContact CB-O 3.21Å; K301-I310 PolarHBondContact N-O 2.97Å; K301-I310 PolarHBondContact O-N 3.44Å; C303-I310 HydrophobicContact CB-CD1 3.81Å; I308-I310 PolarHBondContact O-N 2.89Å; I310-M319 HydrophobicContact CG2-CE 3.62Å; I310-M319 HydrophobicContact CG2-SD 4.45Å; I310-C321 HydrophobicContact CD1-CB 3.96Å; I310-F328 HydrophobicContact CD1-CE1 3.94Å; I310-F328 HydrophobicContact CD1-CZ 3.85Å; I310-W330 HydrophobicContact CB-CZ3 4.48Å; I310-W330 HydrophobicContact CG2-CZ3 4.21Å; I310-W330 WeakPolarHBondContact O-CH2 3.39Å
311	E	77.3	Confident	78.6	Confident	136 Å²	136	54.9 Å²	54.9	64%	0.636	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.6	171.6	-170.9	172.4	-171.7	0	0	110.8	T300 N313	T300-E311 HydrophobicContact CG2-CB 3.96Å; T300-E311 HydrophobicContact CG2-CG 4.27Å; E311-N313 PolarHBondContact O-N 3.31Å
312	K	74.4	Confident	79	Confident	28 Å²	28	57.2 Å²	57.2	12%	0.122	31%	0.31	C	S	.	.			trans	-79.4	100	178.1	-169	-179.7	-166.5	173.4	0	111	G314 N317 W330 N381 S385 L388	K312-G314 VanDerWaalsContact CE-O 3.24Å; K312-G314 WeakPolarHBondContact CE-O 3.49Å; K312-G314 WeakPolarHBondContact CG-O 3.47Å; K312-N317 PolarHBondContact NZ-OD1 3.26Å; K312-W330 HydrophobicContact CB-CH2 4.29Å; K312-W330 HydrophobicContact CB-CZ2 3.83Å; K312-N381 PolarHBondContact NZ-OD1 3.34Å; K312-S385 PolarHBondContact NZ-OG 3.39Å; K312-L388 HydrophobicContact CD-CD1 4.25Å; K312-L388 HydrophobicContact CG-CD1 4.23Å
313	N	71.1	Confident	79.2	Confident	141 Å²	141	61 Å²	61	75%	0.754	32%	0.323	S	S	*	.			trans	-98.7	11.1	-176.6	68.1	-27.1	0	0	0	115	E311	E311-N313 PolarHBondContact O-N 3.31Å
314	G	71.1	Confident	79.4	Confident	8 Å²	8	63.1 Å²	63.1	8%	0.082	34%	0.337	C	S	.	.	S	Bend	trans	-156.1	164.5	-177.6	0	0	0	0	0	112.6	K312 L388 E469	K312-G314 VanDerWaalsContact CE-O 3.24Å; K312-G314 WeakPolarHBondContact CE-O 3.49Å; K312-G314 WeakPolarHBondContact CG-O 3.47Å; G314-L388 VanDerWaalsContact O-CD1 3.22Å; G314-L388 WeakPolarHBondContact O-CD1 3.34Å; G314-E469 WeakPolarHBondContact CA-OE1 3.5Å
315	G	71.4	Confident	79.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-73.4	-30.2	176.3	0	0	0	0	0	112.7	S385 E469	G315-S385 WeakPolarHBondContact O-CB 3.42Å; G315-S385 PolarHBondContact O-OG 2.91Å; G315-E469 PolarHBondContact N-OE1 3.34Å
316	C	78.3	Confident	79.6	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.034	33%	0.33	C	S	.	.			trans	-63.3	139.5	179.5	-166.5	0	0	0	0	112.5	H318 E462 S465 E469	C316-H318 PolarHBondContact SG-N 3.24Å; C316-E462 WeakPolarHBondContact CA-OE2 3.34Å; C316-E462 PolarHBondContact SG-O 3.45Å; C316-S465 PolarHBondContact N-OG 2.8Å; C316-E469 VanDerWaalsContact CB-OE2 3.31Å; C316-E469 WeakPolarHBondContact CB-OE2 3.37Å; C316-E469 PolarHBondContact N-OE1 2.7Å
317	N	77.9	Confident	79.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-90.5	-3.2	174.6	-71.6	-62.4	0	0	0	114.2	K312 C329 W330 M331 N381 E462	K312-N317 PolarHBondContact NZ-OD1 3.26Å; N317-C329 WeakPolarHBondContact O-CA 3.43Å; N317-W330 PolarHBondContact O-N 3.33Å; N317-M331 HydrophobicContact CB-CE 3.76Å; N317-N381 PolarHBondContact ND2-ND2 2.73Å; N317-N381 PolarHBondContact OD1-ND2 3.08Å; N317-N381 PolarHBondContact OD1-OD1 2.87Å; N317-E462 HydrophobicContact CB-CG 4.33Å; N317-E462 PolarHBondContact N-OE2 3.09Å; N317-E462 PolarHBondContact ND2-OE1 2.88Å
318	H	82.4	Confident	79.8	Confident	34 Å²	34	56.7 Å²	56.7	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.2	169.5	175.9	-147.7	0	0	0	109.5	C316 W336 W466	C316-H318 PolarHBondContact SG-N 3.24Å; H318-W336 HydrophobicContact CB-CD2 3.85Å; H318-W336 HydrophobicContact CB-CE3 3.87Å; H318-W336 HydrophobicContact CB-CH2 3.78Å; H318-W336 HydrophobicContact CB-CZ2 3.74Å; H318-W336 HydrophobicContact CB-CZ3 3.83Å; H318-W336 AromaticContact CD2-CD1 3.52Å; H318-W336 AromaticContact CD2-CD2 3.35Å; H318-W336 AromaticContact CD2-CE2 3.77Å; H318-W336 AromaticContact CD2-CE3 3.88Å; H318-W336 AromaticContact CD2-CG 3.24Å; H318-W336 AromaticContact CD2-NE1 3.81Å; H318-W336 AromaticContact CG-CD2 3.7Å; H318-W336 AromaticContact CG-CE2 3.68Å; H318-W336 AromaticContact CG-CG 3.99Å; H318-W336 AromaticContact CG-NE1 3.87Å; H318-W336 AromaticContact NE2-CD1 3.53Å; H318-W336 AromaticContact NE2-CG 3.62Å; H318-W466 AromaticContact CE1-CD1 3.88Å; H318-W466 AromaticContact CE1-NE1 3.6Å; H318-W466 AromaticContact ND1-CD1 3.15Å; H318-W466 AromaticContact ND1-CG 3.78Å; H318-W466 AromaticContact ND1-NE1 3.37Å; H318-W466 PolarHBondContact ND1-NE1 3Å
319	M	83.3	Confident	79.9	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.1	-177.1	-64.5	-162	78.8	0	0	112.1	I310 D327 F328 W330	I310-M319 HydrophobicContact CG2-CE 3.62Å; I310-M319 HydrophobicContact CG2-SD 4.45Å; M319-D327 WeakPolarHBondContact O-CA 3.44Å; M319-F328 HydrophobicContact CB-CE1 4.06Å; M319-F328 HydrophobicContact CB-CE2 4.48Å; M319-F328 HydrophobicContact CB-CZ 4.01Å; M319-F328 PolarHBondContact N-O 3.42Å; M319-F328 VanDerWaalsContact O-CD1 3.24Å; M319-F328 WeakPolarHBondContact O-CD1 3.28Å; M319-F328 PolarHBondContact O-N 2.94Å; M319-W330 HydrophobicContact CG-CB 4.3Å; M319-W330 HydrophobicContact SD-CB 4.09Å; M319-W330 HydrophobicContact SD-CD2 3.74Å; M319-W330 HydrophobicContact SD-CE3 3.25Å; M319-W330 HydrophobicContact SD-CG 4.12Å; M319-W330 HydrophobicContact SD-CZ3 3.83Å
320	Q	83.6	Confident	79.9	Confident	109 Å²	109	50.6 Å²	50.6	51%	0.509	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.1	173.6	-178.2	170.9	101.6	0	0	109.5	S322 H326 D327	Q320-S322 PolarHBondContact O-N 3.44Å; Q320-H326 WeakPolarHBondContact CA-O 3.41Å; Q320-D327 WeakPolarHBondContact CB-OD1 3.31Å; Q320-D327 WeakPolarHBondContact CG-OD1 3.23Å; Q320-D327 PolarHBondContact NE2-OD1 2.92Å
321	C	83.6	Confident	79.8	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.014	25%	0.253	C	S	.	.			trans	-69.3	122.2	178.5	174.8	0	0	0	0	111.9	C303 C306 I310 K323 C324 K325 H326 F328	C303-C321 HydrophobicContact CB-CB 4.39Å; C303-C321 VanDerWaalsContact SG-CB 3.59Å; C306-C321 VanDerWaalsContact SG-SG 3.63Å; I310-C321 HydrophobicContact CD1-CB 3.96Å; C321-K323 PolarHBondContact O-N 3.17Å; C321-K323 VanDerWaalsContact O-N 3.1Å; C321-C324 VanDerWaalsContact CB-SG 3.54Å; C321-C324 PolarHBondContact O-N 3.23Å; C321-K325 VanDerWaalsContact O-CA 3.26Å; C321-K325 WeakPolarHBondContact O-CA 3.35Å; C321-K325 PolarHBondContact O-N 3Å; C321-H326 PolarHBondContact N-O 3.04Å; C321-F328 HydrophobicContact CB-CE1 4.35Å
322	S	82.9	Confident	79.6	Confident	116 Å²	116	44.5 Å²	44.5	81%	0.811	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.6	-177.2	-40.4	0	0	0	0	114.8	Q320	Q320-S322 PolarHBondContact O-N 3.44Å
323	K	83.9	Confident	79.7	Confident	164 Å²	164	46.4 Å²	46.4	71%	0.713	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-43.9	-179.1	-170.9	179.8	-177.2	179.1	0	113.8	I308 C321	I308-K323 HydrophobicContact CD1-CB 4.07Å; I308-K323 HydrophobicContact CD1-CD 3.24Å; I308-K323 HydrophobicContact CD1-CG 4.29Å; C321-K323 PolarHBondContact O-N 3.17Å; C321-K323 VanDerWaalsContact O-N 3.1Å
324	C	84.4	Confident	80	Confident	44 Å²	44	40.4 Å²	40.4	30%	0.297	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	1.2	-173.2	69.9	0	0	0	0	114.4	C306 C321 H326	C306-C324 HydrophobicContact CB-CB 4.47Å; C321-C324 VanDerWaalsContact CB-SG 3.54Å; C321-C324 PolarHBondContact O-N 3.23Å; C324-H326 PolarHBondContact O-N 3.37Å; C324-H326 VanDerWaalsContact O-N 3.13Å
325	K	84	Confident	80.5	Confident	158 Å²	158	44.1 Å²	44.1	69%	0.687	23%	0.231	S	C	*	.			trans	45.7	41.4	-179.8	-59.7	-170	179.9	-174.5	0	113.1	C321	C321-K325 VanDerWaalsContact O-CA 3.26Å; C321-K325 WeakPolarHBondContact O-CA 3.35Å; C321-K325 PolarHBondContact O-N 3Å
326	H	83.9	Confident	80.9	Confident	30 Å²	30	46.8 Å²	46.8	14%	0.139	24%	0.241	C	C	.	.			trans	-104.8	131.1	179.1	175.7	49.6	0	0	0	109.9	K305 Q320 C321 C324 D335	K305-H326 HydrophobicContact CD-CB 3.98Å; Q320-H326 WeakPolarHBondContact CA-O 3.41Å; C321-H326 PolarHBondContact N-O 3.04Å; C324-H326 PolarHBondContact O-N 3.37Å; C324-H326 VanDerWaalsContact O-N 3.13Å; H326-D335 IonicContact CE1-OD1 2.95Å; H326-D335 PolarHBondContact CE1-OD1 2.9Å; H326-D335 VanDerWaalsContact CE1-OD1 3.31Å
327	D	84.1	Confident	80.7	Confident	38 Å²	38	55.2 Å²	55.2	20%	0.203	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.9	-175.3	-47.2	-60.2	0	0	0	110.7	M319 Q320 W336	M319-D327 WeakPolarHBondContact O-CA 3.44Å; Q320-D327 WeakPolarHBondContact CB-OD1 3.31Å; Q320-D327 WeakPolarHBondContact CG-OD1 3.23Å; Q320-D327 PolarHBondContact NE2-OD1 2.92Å; D327-W336 HydrophobicContact CB-CB 4.03Å; D327-W336 WeakPolarHBondContact O-CB 3.09Å; D327-W336 PolarHBondContact O-N 2.78Å
328	F	83.9	Confident	80.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160.7	-176.3	71	-80	0	0	0	111.5	P304 I310 M319 C321 W330 L333 G334	P304-F328 HydrophobicContact CG-CB 4.13Å; P304-F328 HydrophobicContact CG-CD2 4.2Å; P304-F328 HydrophobicContact CG-CG 4.08Å; I310-F328 HydrophobicContact CD1-CE1 3.94Å; I310-F328 HydrophobicContact CD1-CZ 3.85Å; M319-F328 HydrophobicContact CB-CE1 4.06Å; M319-F328 HydrophobicContact CB-CE2 4.48Å; M319-F328 HydrophobicContact CB-CZ 4.01Å; M319-F328 PolarHBondContact N-O 3.42Å; M319-F328 VanDerWaalsContact O-CD1 3.24Å; M319-F328 WeakPolarHBondContact O-CD1 3.28Å; M319-F328 PolarHBondContact O-N 2.94Å; C321-F328 HydrophobicContact CB-CE1 4.35Å; F328-W330 HydrophobicContact CE2-CE3 4.46Å; F328-L333 HydrophobicContact CD2-CD2 4.04Å; F328-L333 HydrophobicContact CE2-CD2 3.83Å; F328-G334 WeakPolarHBondContact CA-O 3.49Å
329	C	81.8	Confident	79.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	177	173.8	0	0	0	0	111.6	N317 M331 C332 L333 G334 W336 H339	N317-C329 WeakPolarHBondContact O-CA 3.43Å; C329-M331 PolarHBondContact O-N 2.86Å; C329-M331 PolarHBondContact SG-N 2.78Å; C329-C332 VanDerWaalsContact CB-SG 3.58Å; C329-C332 PolarHBondContact O-N 3.21Å; C329-L333 WeakPolarHBondContact O-CA 3.44Å; C329-L333 PolarHBondContact O-N 3.37Å; C329-G334 PolarHBondContact N-O 3.07Å; C329-W336 HydrophobicContact CB-CE3 3.71Å; C329-W336 HydrophobicContact CB-CZ3 3.81Å; C329-H339 WeakPolarHBondContact CB-CE1 3.37Å; C329-H339 WeakPolarHBondContact CB-NE2 3.35Å; C329-H339 PolarHBondContact SG-NE2 2.64Å; C329-H339 VanDerWaalsContact SG-NE2 3.42Å
330	W	78.7	Confident	78.4	Confident	11 Å²	11	60.2 Å²	60.2	4%	0.042	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.7	180	-177.3	-107.5	0	0	0	114.3	K301 I310 K312 N317 M319 F328	K301-W330 HydrophobicContact CB-CE3 4.29Å; K301-W330 HydrophobicContact CB-CH2 3.7Å; K301-W330 HydrophobicContact CB-CZ2 4.34Å; K301-W330 HydrophobicContact CB-CZ3 3.65Å; K301-W330 HydrophobicContact CD-CD2 3.95Å; K301-W330 HydrophobicContact CD-CE3 4.05Å; K301-W330 HydrophobicContact CD-CH2 4.01Å; K301-W330 HydrophobicContact CD-CZ2 3.83Å; K301-W330 HydrophobicContact CD-CZ3 4.1Å; K301-W330 HydrophobicContact CG-CE3 4.41Å; K301-W330 HydrophobicContact CG-CH2 3.6Å; K301-W330 HydrophobicContact CG-CZ2 3.73Å; K301-W330 HydrophobicContact CG-CZ3 3.95Å; K301-W330 PolarHBondContact NZ-O 2.78Å; I310-W330 HydrophobicContact CB-CZ3 4.48Å; I310-W330 HydrophobicContact CG2-CZ3 4.21Å; I310-W330 WeakPolarHBondContact O-CH2 3.39Å; K312-W330 HydrophobicContact CB-CH2 4.29Å; K312-W330 HydrophobicContact CB-CZ2 3.83Å; N317-W330 PolarHBondContact O-N 3.33Å; M319-W330 HydrophobicContact CG-CB 4.3Å; M319-W330 HydrophobicContact SD-CB 4.09Å; M319-W330 HydrophobicContact SD-CD2 3.74Å; M319-W330 HydrophobicContact SD-CE3 3.25Å; M319-W330 HydrophobicContact SD-CG 4.12Å; M319-W330 HydrophobicContact SD-CZ3 3.83Å; F328-W330 HydrophobicContact CE2-CE3 4.46Å
331	M	74.1	Confident	77.3	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.03	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-34.8	-178.5	-70.4	175.3	-73.1	0	0	113.4	N317 C329 R377 K378 N381 E458	N317-M331 HydrophobicContact CB-CE 3.76Å; C329-M331 PolarHBondContact O-N 2.86Å; C329-M331 PolarHBondContact SG-N 2.78Å; M331-R377 HydrophobicContact CB-CG 4.47Å; M331-R377 PolarHBondContact O-NE 2.71Å; M331-R377 PolarHBondContact O-NH1 2.99Å; M331-K378 HydrophobicContact SD-CD 3.64Å; M331-N381 WeakPolarHBondContact CG-ND2 3.22Å; M331-N381 PolarHBondContact SD-ND2 2.84Å; M331-E458 WeakPolarHBondContact CE-OE1 3.36Å
332	C	72.9	Confident	75.9	Confident	24 Å²	24	66.2 Å²	66.2	16%	0.162	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-13.5	-174	70.6	0	0	0	0	115.5	C329 G334 H339 Y344 R377	C329-C332 VanDerWaalsContact CB-SG 3.58Å; C329-C332 PolarHBondContact O-N 3.21Å; C332-G334 PolarHBondContact O-N 3.25Å; C332-G334 PolarHBondContact SG-N 3.38Å; C332-H339 PolarHBondContact SG-CE1 3.12Å; C332-H339 PolarHBondContact SG-NE2 3.33Å; C332-H339 VanDerWaalsContact SG-NE2 3.43Å; C332-Y344 PolarHBondContact SG-OH 3.03Å; C332-Y344 VanDerWaalsContact SG-OH 3.36Å; C332-R377 VanDerWaalsContact CB-NH2 3.26Å
333	L	76.4	Confident	74.4	Confident	68 Å²	68	71 Å²	71	36%	0.356	36%	0.359	S	S	.	.			trans	58.7	18.3	-172.4	-52.1	178.6	0	0	0	114.7	K301 P304 F328 C329	K301-L333 HydrophobicContact CB-CD2 4.46Å; K301-L333 HydrophobicContact CD-CD2 4.21Å; P304-L333 HydrophobicContact CB-CB 4.43Å; P304-L333 WeakPolarHBondContact CB-O 3.41Å; P304-L333 WeakPolarHBondContact CG-O 3.41Å; F328-L333 HydrophobicContact CD2-CD2 4.04Å; F328-L333 HydrophobicContact CE2-CD2 3.83Å; C329-L333 WeakPolarHBondContact O-CA 3.44Å; C329-L333 PolarHBondContact O-N 3.37Å
334	G	78.2	Confident	73.1	Confident	16 Å²	16	67.1 Å²	67.1	17%	0.165	34%	0.34	C	S	.	.	S	Bend	trans	-94	164.3	170.5	0	0	0	0	0	113	F328 C329 C332 W336	F328-G334 WeakPolarHBondContact CA-O 3.49Å; C329-G334 PolarHBondContact N-O 3.07Å; C332-G334 PolarHBondContact O-N 3.25Å; C332-G334 PolarHBondContact SG-N 3.38Å; G334-W336 PolarHBondContact O-N 3.44Å
335	D	80.1	Confident	72	Confident	85 Å²	85	68.5 Å²	68.5	46%	0.455	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-49	134.5	177.3	-63.8	-94.5	0	0	0	112.7	H326 K337 T338 H339	H326-D335 IonicContact CE1-OD1 2.95Å; H326-D335 PolarHBondContact CE1-OD1 2.9Å; H326-D335 VanDerWaalsContact CE1-OD1 3.31Å; D335-K337 VanDerWaalsContact C-N 3.26Å; D335-K337 PolarHBondContact O-N 3.09Å; D335-T338 PolarHBondContact O-OG1 3.47Å; D335-T338 VanDerWaalsContact O-OG1 3.12Å; D335-H339 PolarHBondContact O-CE1 3.23Å; D335-H339 PolarHBondContact O-ND1 2.84Å
336	W	79.9	Confident	71.2	Confident	56 Å²	56	61.5 Å²	61.5	21%	0.212	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.8	-32.3	173.6	-168.5	-101.7	0	0	0	111.9	H318 D327 C329 G334 T338 H339 E462	H318-W336 HydrophobicContact CB-CD2 3.85Å; H318-W336 HydrophobicContact CB-CE3 3.87Å; H318-W336 HydrophobicContact CB-CH2 3.78Å; H318-W336 HydrophobicContact CB-CZ2 3.74Å; H318-W336 HydrophobicContact CB-CZ3 3.83Å; H318-W336 AromaticContact CD2-CD1 3.52Å; H318-W336 AromaticContact CD2-CD2 3.35Å; H318-W336 AromaticContact CD2-CE2 3.77Å; H318-W336 AromaticContact CD2-CE3 3.88Å; H318-W336 AromaticContact CD2-CG 3.24Å; H318-W336 AromaticContact CD2-NE1 3.81Å; H318-W336 AromaticContact CG-CD2 3.7Å; H318-W336 AromaticContact CG-CE2 3.68Å; H318-W336 AromaticContact CG-CG 3.99Å; H318-W336 AromaticContact CG-NE1 3.87Å; H318-W336 AromaticContact NE2-CD1 3.53Å; H318-W336 AromaticContact NE2-CG 3.62Å; D327-W336 HydrophobicContact CB-CB 4.03Å; D327-W336 WeakPolarHBondContact O-CB 3.09Å; D327-W336 PolarHBondContact O-N 2.78Å; C329-W336 HydrophobicContact CB-CE3 3.71Å; C329-W336 HydrophobicContact CB-CZ3 3.81Å; G334-W336 PolarHBondContact O-N 3.44Å; W336-T338 PolarHBondContact O-N 3.38Å; W336-H339 WeakPolarHBondContact O-CB 3.36Å; W336-H339 PolarHBondContact O-N 3.17Å; W336-E462 HydrophobicContact CH2-CB 3.81Å; W336-E462 HydrophobicContact CH2-CG 4.19Å; W336-E462 HydrophobicContact CZ2-CB 4.13Å
337	K	75.6	Confident	70.4	Confident	183 Å²	183	60.4 Å²	60.4	80%	0.796	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.2	-15.7	-174.5	-62.3	-170.6	178.7	-172.7	0	115.5	D335	D335-K337 VanDerWaalsContact C-N 3.26Å; D335-K337 PolarHBondContact O-N 3.09Å
338	T	71.4	Confident	69.6	Low	50 Å²	50	61.9 Å²	61.9	31%	0.307	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-93.1	-18.1	174	55.6	0	0	0	0	112.9	D335 W336 S341 Y344	D335-T338 PolarHBondContact O-OG1 3.47Å; D335-T338 VanDerWaalsContact O-OG1 3.12Å; W336-T338 PolarHBondContact O-N 3.38Å; T338-S341 WeakPolarHBondContact O-CB 3.33Å; T338-S341 PolarHBondContact O-N 2.88Å; T338-S341 VanDerWaalsContact O-N 3.17Å; T338-S341 PolarHBondContact O-OG 3.12Å; T338-Y344 WeakPolarHBondContact O-CB 3.49Å; T338-Y344 WeakPolarHBondContact OG1-CD2 3.16Å
339	H	66.3	Low	68.7	Low	36 Å²	36	63.7 Å²	63.7	17%	0.167	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	137.9	177.6	-68.5	65.3	0	0	0	110	C329 C332 D335 W336 S341 Y344 C346	C329-H339 WeakPolarHBondContact CB-CE1 3.37Å; C329-H339 WeakPolarHBondContact CB-NE2 3.35Å; C329-H339 PolarHBondContact SG-NE2 2.64Å; C329-H339 VanDerWaalsContact SG-NE2 3.42Å; C332-H339 PolarHBondContact SG-CE1 3.12Å; C332-H339 PolarHBondContact SG-NE2 3.33Å; C332-H339 VanDerWaalsContact SG-NE2 3.43Å; D335-H339 PolarHBondContact O-CE1 3.23Å; D335-H339 PolarHBondContact O-ND1 2.84Å; W336-H339 WeakPolarHBondContact O-CB 3.36Å; W336-H339 PolarHBondContact O-N 3.17Å; H339-S341 VanDerWaalsContact C-N 3.28Å; H339-S341 PolarHBondContact O-N 2.85Å; H339-Y344 AromaticContact CE1-CD1 3.86Å; H339-Y344 AromaticContact CE1-CE1 3.25Å; H339-Y344 WeakPolarHBondContact CE1-CE1 3.26Å; H339-Y344 AromaticContact CE1-CZ 3.97Å; H339-Y344 AromaticContact ND1-CD1 3.89Å; H339-Y344 AromaticContact ND1-CE1 3.73Å; H339-Y344 AromaticContact NE2-CE1 3.5Å; H339-C346 PolarHBondContact NE2-SG 3.43Å
340	G	57.4	Low	68	Low	69 Å²	69	70.4 Å²	70.4	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-10.7	-172	0	0	0	0	0	114.8
341	S	59.8	Low	67.1	Low	58 Å²	58	74 Å²	74	41%	0.406	37%	0.365	S	S	.	.	S	Bend	trans	-76.7	147.8	167.2	74.7	0	0	0	0	111.2	T338 H339 Y343 Y344	T338-S341 WeakPolarHBondContact O-CB 3.33Å; T338-S341 PolarHBondContact O-N 2.88Å; T338-S341 VanDerWaalsContact O-N 3.17Å; T338-S341 PolarHBondContact O-OG 3.12Å; H339-S341 VanDerWaalsContact C-N 3.28Å; H339-S341 PolarHBondContact O-N 2.85Å; S341-Y343 PolarHBondContact O-N 3.22Å; S341-Y344 PolarHBondContact O-N 2.86Å
342	E	53.6	Low	66.4	Low	178 Å²	178	77.5 Å²	77.5	83%	0.832	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.5	-179.1	-59.1	-172.5	141.7	0	0	114.2
343	Y	51.6	Low	65.6	Low	218 Å²	218	81 Å²	81	86%	0.855	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-11.8	-173.7	-136.4	-97.4	0	0	0	114.2	S341	S341-Y343 PolarHBondContact O-N 3.22Å
344	Y	57.2	Low	64.7	Low	82 Å²	82	83.2 Å²	83.2	32%	0.322	42%	0.418	S	S	.	.			trans	-110.3	86.7	-171.4	-161.8	-89.9	0	0	0	113.6	C332 T338 H339 S341 C346	C332-Y344 PolarHBondContact SG-OH 3.03Å; C332-Y344 VanDerWaalsContact SG-OH 3.36Å; T338-Y344 WeakPolarHBondContact O-CB 3.49Å; T338-Y344 WeakPolarHBondContact OG1-CD2 3.16Å; H339-Y344 AromaticContact CE1-CD1 3.86Å; H339-Y344 AromaticContact CE1-CE1 3.25Å; H339-Y344 WeakPolarHBondContact CE1-CE1 3.26Å; H339-Y344 AromaticContact CE1-CZ 3.97Å; H339-Y344 AromaticContact ND1-CD1 3.89Å; H339-Y344 AromaticContact ND1-CE1 3.73Å; H339-Y344 AromaticContact NE2-CE1 3.5Å; S341-Y344 PolarHBondContact O-N 2.86Å; Y344-C346 HydrophobicContact CD1-CB 4.06Å; Y344-C346 HydrophobicContact CE1-CB 3.86Å; Y344-C346 PolarHBondContact O-N 3.23Å
345	E	62	Low	63.6	Low	72 Å²	72	83.4 Å²	83.4	34%	0.336	42%	0.415	S	S	.	.			trans	-80.7	65.3	-173.4	-52.2	-179.2	117.8	0	0	113.8	S347 R348 K350	E345-S347 VanDerWaalsContact C-N 3.26Å; E345-S347 PolarHBondContact O-N 3.46Å; E345-R348 HydrophobicContact CB-CB 3.81Å; E345-R348 VanDerWaalsContact CD-CD 3.47Å; E345-R348 PolarHBondContact O-N 3.32Å; E345-R348 WeakPolarHBondContact OE1-CD 3.4Å; E345-R348 IonicContact OE1-CZ 2.67Å; E345-R348 IonicContact OE1-NE 3.01Å; E345-R348 IonicContact OE1-NH1 3.08Å; E345-R348 PolarHBondContact OE1-NH1 3.35Å; E345-R348 IonicContact OE2-NH1 2.61Å; E345-R348 PolarHBondContact OE2-NH1 3.21Å; E345-K350 WeakPolarHBondContact OE2-CE 3.23Å; E345-K350 IonicContact OE2-NZ 3.14Å; E345-K350 PolarHBondContact OE2-NZ 3.18Å
346	C	67.5	Low	62.4	Low	12 Å²	12	84.4 Å²	84.4	8%	0.081	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.4	-178.7	-166.8	0	0	0	0	114.2	H339 Y344	H339-C346 PolarHBondContact NE2-SG 3.43Å; Y344-C346 HydrophobicContact CD1-CB 4.06Å; Y344-C346 HydrophobicContact CE1-CB 3.86Å; Y344-C346 PolarHBondContact O-N 3.23Å
347	S	66.4	Low	61.3	Low	6 Å²	6	89.2 Å²	89.2	4%	0.042	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.5	-179.9	55.5	0	0	0	0	114.8	E345 F373	E345-S347 VanDerWaalsContact C-N 3.26Å; E345-S347 PolarHBondContact O-N 3.46Å; S347-F373 WeakPolarHBondContact O-CE1 3.36Å
348	R	67.9	Low	60.7	Low	70 Å²	70	84.8 Å²	84.8	26%	0.264	44%	0.436	S	S	.	.			trans	-109.4	129.8	-159.4	-162.2	176.2	-174.6	-135.4	-8.9	113.2	E345 E451	E345-R348 HydrophobicContact CB-CB 3.81Å; E345-R348 VanDerWaalsContact CD-CD 3.47Å; E345-R348 PolarHBondContact O-N 3.32Å; E345-R348 WeakPolarHBondContact OE1-CD 3.4Å; E345-R348 IonicContact OE1-CZ 2.67Å; E345-R348 IonicContact OE1-NE 3.01Å; E345-R348 IonicContact OE1-NH1 3.08Å; E345-R348 PolarHBondContact OE1-NH1 3.35Å; E345-R348 IonicContact OE2-NH1 2.61Å; E345-R348 PolarHBondContact OE2-NH1 3.21Å; R348-E451 IonicContact CZ-OE2 3.66Å; R348-E451 IonicContact NE-OE2 3.4Å; R348-E451 PolarHBondContact NE-OE2 3.36Å; R348-E451 IonicContact NH2-OE2 3.74Å
349	Y	65.1	Low	60.5	Low	37 Å²	37	86.2 Å²	86.2	15%	0.145	45%	0.448	C	S	.	.			trans	-81	123	171.8	-166.6	-97.6	0	0	0	110.7	E351 E366 K369 K370 F373 Y374	Y349-E351 HydrophobicContact CD1-CB 4.49Å; Y349-E351 HydrophobicContact CD1-CG 3.71Å; Y349-E351 HydrophobicContact CE1-CG 4.19Å; Y349-E351 PolarHBondContact O-N 3.35Å; Y349-E366 PolarHBondContact OH-OE1 3.5Å; Y349-K369 VanDerWaalsContact OH-CB 3.3Å; Y349-K369 WeakPolarHBondContact OH-CB 3.48Å; Y349-K370 HydrophobicContact CD1-CB 4.19Å; Y349-K370 HydrophobicContact CD1-CD 4.48Å; Y349-K370 HydrophobicContact CD1-CG 4.06Å; Y349-K370 HydrophobicContact CE1-CB 3.9Å; Y349-K370 HydrophobicContact CE1-CG 4.27Å; Y349-K370 HydrophobicContact CE2-CB 4.39Å; Y349-K370 HydrophobicContact CG-CG 4.35Å; Y349-F373 HydrophobicContact CD2-CB 3.6Å; Y349-F373 AromaticContact CD2-CD1 3.88Å; Y349-F373 HydrophobicContact CD2-CD1 3.88Å; Y349-F373 AromaticContact CD2-CD2 3.97Å; Y349-F373 HydrophobicContact CD2-CD2 3.97Å; Y349-F373 AromaticContact CD2-CG 3.55Å; Y349-F373 HydrophobicContact CD2-CG 3.55Å; Y349-F373 HydrophobicContact CE2-CB 3.99Å; Y349-F373 HydrophobicContact CE2-CG 4.34Å; Y349-F373 HydrophobicContact CG-CD1 4.38Å; Y349-F373 HydrophobicContact CG-CG 4.47Å; Y349-Y374 HydrophobicContact CG-CE2 4.46Å
350	K	65.4	Low	60.4	Low	142 Å²	142	92.2 Å²	92.2	62%	0.617	48%	0.476	S	S	*	.			trans	-89.2	86.4	175.9	-66.5	-172.9	178	-170.6	0	109.6	E345 N352	E345-K350 WeakPolarHBondContact OE2-CE 3.23Å; E345-K350 IonicContact OE2-NZ 3.14Å; E345-K350 PolarHBondContact OE2-NZ 3.18Å; K350-N352 PolarHBondContact O-N 3.28Å
351	E	60.5	Low	60.6	Low	87 Å²	87	94.7 Å²	94.7	41%	0.407	47%	0.469	S	S	.	.			trans	-55.7	125.3	173.2	-61	-178.4	140.4	0	0	109.9	Y349 P353 K370 S443	Y349-E351 HydrophobicContact CD1-CB 4.49Å; Y349-E351 HydrophobicContact CD1-CG 3.71Å; Y349-E351 HydrophobicContact CE1-CG 4.19Å; Y349-E351 PolarHBondContact O-N 3.35Å; E351-P353 WeakPolarHBondContact O-CD 3.41Å; E351-K370 WeakPolarHBondContact OE1-CE 3.36Å; E351-K370 IonicContact OE1-NZ 3.69Å; E351-K370 PolarHBondContact OE1-NZ 3.03Å; E351-S443 PolarHBondContact OE2-OG 2.84Å
352	N	58.5	Low	60.8	Low	79 Å²	79	93.1 Å²	93.1	42%	0.422	46%	0.46	S	S	.	.			trans	-85.2	112.3	176.1	-177.6	-5.3	0	0	0	109.8	K350 D354 I355	K350-N352 PolarHBondContact O-N 3.28Å; N352-D354 VanDerWaalsContact C-N 3.27Å; N352-D354 PolarHBondContact O-N 2.9Å; N352-D354 PolarHBondContact OD1-N 3.46Å; N352-I355 HydrophobicContact CB-CD1 3.84Å; N352-I355 HydrophobicContact CB-CG1 4.19Å; N352-I355 PolarHBondContact O-N 3.2Å
353	P	57.8	Low	61.5	Low	96 Å²	96	88.6 Å²	88.6	62%	0.623	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.8	-172.7	27.5	-35.6	0	0	0	113.4	E351 I355 V356	E351-P353 WeakPolarHBondContact O-CD 3.41Å; P353-I355 PolarHBondContact O-N 3.35Å; P353-I355 VanDerWaalsContact O-N 3.07Å; P353-V356 PolarHBondContact O-N 3.01Å
354	D	56.5	Low	62	Low	116 Å²	116	81.1 Å²	81.1	62%	0.62	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-73.1	-1.2	-174.5	-60.3	-40.1	0	0	0	113.8	N352 Q358	N352-D354 VanDerWaalsContact C-N 3.27Å; N352-D354 PolarHBondContact O-N 2.9Å; N352-D354 PolarHBondContact OD1-N 3.46Å; D354-Q358 PolarHBondContact O-NE2 3.48Å
355	I	55.4	Low	62.5	Low	19 Å²	19	84.7 Å²	84.7	10%	0.097	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-87.4	-19	-179.3	-59.8	180	0	0	0	112.4	N352 P353 N357 Q358 A362 E366	N352-I355 HydrophobicContact CB-CD1 3.84Å; N352-I355 HydrophobicContact CB-CG1 4.19Å; N352-I355 PolarHBondContact O-N 3.2Å; P353-I355 PolarHBondContact O-N 3.35Å; P353-I355 VanDerWaalsContact O-N 3.07Å; I355-N357 PolarHBondContact O-N 3.1Å; I355-Q358 WeakPolarHBondContact O-CB 3.47Å; I355-Q358 PolarHBondContact O-N 2.94Å; I355-A362 HydrophobicContact CG2-CB 4.4Å; I355-E366 HydrophobicContact CD1-CB 4.21Å; I355-E366 HydrophobicContact CD1-CG 3.79Å; I355-E366 WeakPolarHBondContact CD1-OE2 3.33Å; I355-E366 HydrophobicContact CG2-CB 4.12Å; I355-E366 HydrophobicContact CG2-CG 4.42Å
356	V	55.6	Low	62.9	Low	106 Å²	106	82.5 Å²	82.5	64%	0.642	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.6	179.6	-178.3	0	0	0	0	111.7	P353 Q358 Q363	P353-V356 PolarHBondContact O-N 3.01Å; V356-Q358 VanDerWaalsContact C-N 3.32Å; V356-Q358 PolarHBondContact O-N 2.92Å; V356-Q363 PolarHBondContact O-NE2 2.94Å
357	N	56.4	Low	63	Low	157 Å²	157	84.3 Å²	84.3	84%	0.84	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	7.6	179.5	-63.9	-33.2	0	0	0	114.3	I355	I355-N357 PolarHBondContact O-N 3.1Å
358	Q	62.5	Low	63.3	Low	91 Å²	91	88.2 Å²	88.2	43%	0.425	46%	0.46	S	S	.	.	S	Bend	trans	-98.4	171.7	-176.6	-60.5	-178.1	23.7	0	0	112.5	D354 I355 V356 A362 Q363	D354-Q358 PolarHBondContact O-NE2 3.48Å; I355-Q358 WeakPolarHBondContact O-CB 3.47Å; I355-Q358 PolarHBondContact O-N 2.94Å; V356-Q358 VanDerWaalsContact C-N 3.32Å; V356-Q358 PolarHBondContact O-N 2.92Å; Q358-A362 HydrophobicContact CB-CB 3.81Å; Q358-Q363 PolarHBondContact O-NE2 3.48Å
359	S	66.4	Low	63.5	Low	80 Å²	80	90.2 Å²	90.2	56%	0.559	47%	0.471	S	S	*	.			trans	-49.3	146.6	175.8	171.7	0	0	0	0	112.7	Q361 A362 Q363	S359-Q361 PolarHBondContact O-N 3.47Å; S359-Q361 PolarHBondContact OG-N 3.5Å; S359-A362 WeakPolarHBondContact O-CA 3.41Å; S359-A362 WeakPolarHBondContact O-CB 3.25Å; S359-A362 PolarHBondContact O-N 2.62Å; S359-Q363 PolarHBondContact O-N 2.79Å
360	Q	65.8	Low	64	Low	162 Å²	162	90.4 Å²	90.4	76%	0.757	47%	0.472	S	S	*	.	H	α-helix	trans	-49.9	-32.5	171.6	-67.2	177.2	-9.9	0	0	112.5	Q363 A364	Q360-Q363 PolarHBondContact O-N 3.22Å; Q360-A364 VanDerWaalsContact O-CB 3.3Å; Q360-A364 WeakPolarHBondContact O-CB 3.42Å; Q360-A364 PolarHBondContact O-N 2.6Å
361	Q	61.2	Low	64.4	Low	121 Å²	121	83.6 Å²	83.6	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-69.7	-32.4	176.1	-164	-175.5	45	0	0	112.9	S359 R365	S359-Q361 PolarHBondContact O-N 3.47Å; S359-Q361 PolarHBondContact OG-N 3.5Å; Q361-R365 WeakPolarHBondContact O-CB 3.45Å; Q361-R365 WeakPolarHBondContact O-CD 3.26Å; Q361-R365 VanDerWaalsContact O-CG 3.22Å; Q361-R365 WeakPolarHBondContact O-CG 3.42Å; Q361-R365 PolarHBondContact O-N 3.31Å; Q361-R365 VanDerWaalsContact O-N 3.11Å
362	A	63.4	Low	65	Low	24 Å²	24	81.7 Å²	81.7	20%	0.198	44%	0.435	C	S	.	.	H	α-helix	trans	-72.8	-43.6	173.8	0	0	0	0	0	110.9	I355 Q358 S359 A364 R365 E366	I355-A362 HydrophobicContact CG2-CB 4.4Å; Q358-A362 HydrophobicContact CB-CB 3.81Å; S359-A362 WeakPolarHBondContact O-CA 3.41Å; S359-A362 WeakPolarHBondContact O-CB 3.25Å; S359-A362 PolarHBondContact O-N 2.62Å; A362-A364 PolarHBondContact O-N 3.05Å; A362-R365 PolarHBondContact O-N 3.21Å; A362-E366 WeakPolarHBondContact O-CB 3.29Å; A362-E366 PolarHBondContact O-N 3.26Å
363	Q	67.2	Low	65.8	Low	84 Å²	84	79.1 Å²	79.1	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-58.3	-45.5	173.8	-63.9	175.7	-12.7	0	0	111.6	V356 Q358 S359 Q360 E366 A367	V356-Q363 PolarHBondContact O-NE2 2.94Å; Q358-Q363 PolarHBondContact O-NE2 3.48Å; S359-Q363 PolarHBondContact O-N 2.79Å; Q360-Q363 PolarHBondContact O-N 3.22Å; Q363-E366 PolarHBondContact O-N 3.31Å; Q363-A367 WeakPolarHBondContact O-CB 3.25Å; Q363-A367 PolarHBondContact O-N 3.02Å
364	A	63.7	Low	66.7	Low	61 Å²	61	74.7 Å²	74.7	50%	0.504	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-42.8	176.7	0	0	0	0	0	112.8	Q360 A362 E366 A367 L368	Q360-A364 VanDerWaalsContact O-CB 3.3Å; Q360-A364 WeakPolarHBondContact O-CB 3.42Å; Q360-A364 PolarHBondContact O-N 2.6Å; A362-A364 PolarHBondContact O-N 3.05Å; A364-E366 VanDerWaalsContact C-N 3.34Å; A364-E366 PolarHBondContact O-N 2.88Å; A364-A367 PolarHBondContact O-N 2.59Å; A364-L368 PolarHBondContact O-N 3.34Å
365	R	67.3	Low	67.5	Low	156 Å²	156	70 Å²	70	59%	0.589	37%	0.365	S	S	*	.	H	α-helix	trans	-62.1	-40.2	174.8	-76.3	170.9	-179.7	179.1	3.3	112.1	Q361 A362 L368 K369	Q361-R365 WeakPolarHBondContact O-CB 3.45Å; Q361-R365 WeakPolarHBondContact O-CD 3.26Å; Q361-R365 VanDerWaalsContact O-CG 3.22Å; Q361-R365 WeakPolarHBondContact O-CG 3.42Å; Q361-R365 PolarHBondContact O-N 3.31Å; Q361-R365 VanDerWaalsContact O-N 3.11Å; A362-R365 PolarHBondContact O-N 3.21Å; R365-L368 PolarHBondContact O-N 3.34Å; R365-K369 WeakPolarHBondContact O-CG 3.34Å; R365-K369 PolarHBondContact O-N 3.26Å
366	E	70	Confident	68	Low	26 Å²	26	71.3 Å²	71.3	12%	0.121	37%	0.371	C	S	.	.	H	α-helix	trans	-70.6	-39.6	178.7	-166.3	60.5	-153	0	0	112	Y349 I355 A362 Q363 A364 L368 K369 K370	Y349-E366 PolarHBondContact OH-OE1 3.5Å; I355-E366 HydrophobicContact CD1-CB 4.21Å; I355-E366 HydrophobicContact CD1-CG 3.79Å; I355-E366 WeakPolarHBondContact CD1-OE2 3.33Å; I355-E366 HydrophobicContact CG2-CB 4.12Å; I355-E366 HydrophobicContact CG2-CG 4.42Å; A362-E366 WeakPolarHBondContact O-CB 3.29Å; A362-E366 PolarHBondContact O-N 3.26Å; Q363-E366 PolarHBondContact O-N 3.31Å; A364-E366 VanDerWaalsContact C-N 3.34Å; A364-E366 PolarHBondContact O-N 2.88Å; E366-L368 VanDerWaalsContact C-N 3.29Å; E366-L368 PolarHBondContact O-N 3.48Å; E366-K369 PolarHBondContact O-N 3.22Å; E366-K369 WeakPolarHBondContact OE2-CD 3.45Å; E366-K369 WeakPolarHBondContact OE2-CE 3.49Å; E366-K369 IonicContact OE2-NZ 2.68Å; E366-K369 PolarHBondContact OE2-NZ 2.97Å; E366-K370 WeakPolarHBondContact O-CB 3.5Å; E366-K370 PolarHBondContact O-N 3.12Å
367	A	70.7	Confident	68.5	Low	50 Å²	50	70.3 Å²	70.3	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-36.6	172.1	0	0	0	0	0	112.5	Q363 A364 Y371	Q363-A367 WeakPolarHBondContact O-CB 3.25Å; Q363-A367 PolarHBondContact O-N 3.02Å; A364-A367 PolarHBondContact O-N 2.59Å; A367-Y371 WeakPolarHBondContact O-CB 3.05Å; A367-Y371 PolarHBondContact O-N 3Å
368	L	71.3	Confident	69.3	Low	88 Å²	88	62.9 Å²	62.9	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-67.7	-46.5	173.9	-179.1	60	0	0	0	112.2	A364 R365 E366 K370 Y371 L372	A364-L368 PolarHBondContact O-N 3.34Å; R365-L368 PolarHBondContact O-N 3.34Å; E366-L368 VanDerWaalsContact C-N 3.29Å; E366-L368 PolarHBondContact O-N 3.48Å; L368-K370 VanDerWaalsContact C-N 3.34Å; L368-K370 PolarHBondContact O-N 2.97Å; L368-Y371 HydrophobicContact CD1-CD1 4.39Å; L368-Y371 WeakPolarHBondContact O-CB 3.36Å; L368-Y371 PolarHBondContact O-N 2.79Å; L368-Y371 VanDerWaalsContact O-N 3.15Å; L368-L372 HydrophobicContact CD1-CD1 4.34Å; L368-L372 HydrophobicContact CD1-CG 4.28Å; L368-L372 HydrophobicContact CG-CD1 4.18Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 2.84Å
369	K	72.2	Confident	69.9	Low	112 Å²	112	59.6 Å²	59.6	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-57	-46.3	174.3	-69.1	179.6	-154.9	158.9	0	112	Y349 R365 E366 Y371 L372 F373	Y349-K369 VanDerWaalsContact OH-CB 3.3Å; Y349-K369 WeakPolarHBondContact OH-CB 3.48Å; R365-K369 WeakPolarHBondContact O-CG 3.34Å; R365-K369 PolarHBondContact O-N 3.26Å; E366-K369 PolarHBondContact O-N 3.22Å; E366-K369 WeakPolarHBondContact OE2-CD 3.45Å; E366-K369 WeakPolarHBondContact OE2-CE 3.49Å; E366-K369 IonicContact OE2-NZ 2.68Å; E366-K369 PolarHBondContact OE2-NZ 2.97Å; K369-Y371 VanDerWaalsContact C-N 3.3Å; K369-Y371 PolarHBondContact O-N 2.96Å; K369-L372 PolarHBondContact O-N 2.97Å; K369-F373 PolarHBondContact O-N 3.29Å
370	K	76.4	Confident	70.4	Confident	41 Å²	41	57.1 Å²	57.1	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-45.3	176.1	-179.4	177.2	171.1	175.7	0	110.4	Y349 E351 E366 L368 F373 Y374 Y439	Y349-K370 HydrophobicContact CD1-CB 4.19Å; Y349-K370 HydrophobicContact CD1-CD 4.48Å; Y349-K370 HydrophobicContact CD1-CG 4.06Å; Y349-K370 HydrophobicContact CE1-CB 3.9Å; Y349-K370 HydrophobicContact CE1-CG 4.27Å; Y349-K370 HydrophobicContact CE2-CB 4.39Å; Y349-K370 HydrophobicContact CG-CG 4.35Å; E351-K370 WeakPolarHBondContact OE1-CE 3.36Å; E351-K370 IonicContact OE1-NZ 3.69Å; E351-K370 PolarHBondContact OE1-NZ 3.03Å; E366-K370 WeakPolarHBondContact O-CB 3.5Å; E366-K370 PolarHBondContact O-N 3.12Å; L368-K370 VanDerWaalsContact C-N 3.34Å; L368-K370 PolarHBondContact O-N 2.97Å; K370-F373 PolarHBondContact O-N 2.97Å; K370-Y374 HydrophobicContact CG-CD2 4.17Å; K370-Y374 HydrophobicContact CG-CE2 4.12Å; K370-Y374 VanDerWaalsContact O-CD2 3.32Å; K370-Y374 WeakPolarHBondContact O-CD2 3.39Å; K370-Y374 PolarHBondContact O-N 3.2Å; K370-Y439 HydrophobicContact CD-CE2 4.46Å; K370-Y439 HydrophobicContact CG-CD2 4.23Å; K370-Y439 HydrophobicContact CG-CE2 4.07Å
371	Y	73.9	Confident	71	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-51.9	176.6	174	-114.5	0	0	0	112.8	W282 K285 C286 D289 A367 L368 K369 F373 Y374 F375 Y439	W282-Y371 HydrophobicContact CE3-CE2 4.39Å; W282-Y371 HydrophobicContact CH2-CD2 4.01Å; W282-Y371 AromaticContact CH2-CE2 3.92Å; W282-Y371 HydrophobicContact CH2-CE2 3.92Å; W282-Y371 AromaticContact CZ3-CD2 3.86Å; W282-Y371 HydrophobicContact CZ3-CD2 3.86Å; W282-Y371 AromaticContact CZ3-CE2 3.86Å; W282-Y371 HydrophobicContact CZ3-CE2 3.86Å; K285-Y371 HydrophobicContact CD-CD2 3.86Å; K285-Y371 HydrophobicContact CD-CE2 3.73Å; K285-Y371 HydrophobicContact CD-CG 4.39Å; K285-Y371 VanDerWaalsContact CE-CD2 3.48Å; K285-Y371 HydrophobicContact CG-CE2 3.97Å; C286-Y371 WeakPolarHBondContact CA-OH 3.45Å; D289-Y371 HydrophobicContact CB-CE1 3.7Å; D289-Y371 WeakPolarHBondContact OD2-CD1 3.3Å; D289-Y371 WeakPolarHBondContact OD2-CE1 3.43Å; A367-Y371 WeakPolarHBondContact O-CB 3.05Å; A367-Y371 PolarHBondContact O-N 3Å; L368-Y371 HydrophobicContact CD1-CD1 4.39Å; L368-Y371 WeakPolarHBondContact O-CB 3.36Å; L368-Y371 PolarHBondContact O-N 2.79Å; L368-Y371 VanDerWaalsContact O-N 3.15Å; K369-Y371 VanDerWaalsContact C-N 3.3Å; K369-Y371 PolarHBondContact O-N 2.96Å; Y371-F373 PolarHBondContact O-N 2.8Å; Y371-Y374 PolarHBondContact O-N 2.89Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; Y371-F375 HydrophobicContact CD2-CB 4.25Å; Y371-F375 HydrophobicContact CE1-CB 4.34Å; Y371-F375 HydrophobicContact CE1-CD1 4.33Å; Y371-F375 HydrophobicContact CE1-CG 4.37Å; Y371-F375 HydrophobicContact CE2-CB 3.85Å; Y371-F375 HydrophobicContact CE2-CD2 4.48Å; Y371-F375 HydrophobicContact CE2-CG 4.18Å; Y371-F375 AromaticContact CZ-CG 3.83Å; Y371-F375 VanDerWaalsContact O-CB 3.28Å; Y371-F375 WeakPolarHBondContact O-CB 3.13Å; Y371-F375 PolarHBondContact O-N 2.84Å; Y371-Y439 HydrophobicContact CD2-CE2 4.42Å
372	L	73.4	Confident	72	Confident	46 Å²	46	44.2 Å²	44.2	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-35.9	178.7	-67.4	170.5	0	0	0	112.5	A293 L368 K369 E376 R377	A293-L372 HydrophobicContact CB-CD2 4.04Å; L368-L372 HydrophobicContact CD1-CD1 4.34Å; L368-L372 HydrophobicContact CD1-CG 4.28Å; L368-L372 HydrophobicContact CG-CD1 4.18Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 2.84Å; K369-L372 PolarHBondContact O-N 2.97Å; L372-E376 PolarHBondContact O-N 3.19Å; L372-R377 PolarHBondContact O-N 3.3Å
373	F	75.3	Confident	72.9	Confident	26 Å²	26	45.9 Å²	45.9	11%	0.114	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-44.2	175.5	-179.9	-88	0	0	0	113.3	S347 Y349 K369 K370 Y371 K378	S347-F373 WeakPolarHBondContact O-CE1 3.36Å; Y349-F373 HydrophobicContact CD2-CB 3.6Å; Y349-F373 AromaticContact CD2-CD1 3.88Å; Y349-F373 HydrophobicContact CD2-CD1 3.88Å; Y349-F373 AromaticContact CD2-CD2 3.97Å; Y349-F373 HydrophobicContact CD2-CD2 3.97Å; Y349-F373 AromaticContact CD2-CG 3.55Å; Y349-F373 HydrophobicContact CD2-CG 3.55Å; Y349-F373 HydrophobicContact CE2-CB 3.99Å; Y349-F373 HydrophobicContact CE2-CG 4.34Å; Y349-F373 HydrophobicContact CG-CD1 4.38Å; Y349-F373 HydrophobicContact CG-CG 4.47Å; K369-F373 PolarHBondContact O-N 3.29Å; K370-F373 PolarHBondContact O-N 2.97Å; Y371-F373 PolarHBondContact O-N 2.8Å; F373-K378 WeakPolarHBondContact O-CG 3.49Å
374	Y	76.4	Confident	73.6	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-80.9	-27.7	178.7	-74.6	-84.1	0	0	0	112.5	Y349 K370 Y371 W379 Y435 A438 Y439	Y349-Y374 HydrophobicContact CG-CE2 4.46Å; K370-Y374 HydrophobicContact CG-CD2 4.17Å; K370-Y374 HydrophobicContact CG-CE2 4.12Å; K370-Y374 VanDerWaalsContact O-CD2 3.32Å; K370-Y374 WeakPolarHBondContact O-CD2 3.39Å; K370-Y374 PolarHBondContact O-N 3.2Å; Y371-Y374 PolarHBondContact O-N 2.89Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; Y374-W379 WeakPolarHBondContact O-CB 3.49Å; Y374-W379 PolarHBondContact O-N 3.3Å; Y374-Y435 HydrophobicContact CD1-CD1 4.16Å; Y374-Y435 WeakPolarHBondContact CD1-O 3.35Å; Y374-A438 HydrophobicContact CD1-CB 4.45Å; Y374-A438 HydrophobicContact CE1-CB 3.7Å; Y374-Y439 AromaticContact CD2-CD2 3.71Å; Y374-Y439 HydrophobicContact CD2-CD2 3.71Å; Y374-Y439 HydrophobicContact CD2-CG 4.43Å; Y374-Y439 HydrophobicContact CE2-CD2 4.43Å; Y374-Y439 HydrophobicContact CG-CD2 4.08Å
375	F	72.5	Confident	74.6	Confident	16 Å²	16	41.5 Å²	41.5	7%	0.07	19%	0.193	C	C	.	.	I	π-helix	trans	-84.1	-85	179.1	-179	-109.4	0	0	0	112.4	W282 C286 A293 Y371 R377 K378 W379 E380	W282-F375 HydrophobicContact CH2-CB 4Å; W282-F375 HydrophobicContact CZ2-CB 3.92Å; W282-F375 HydrophobicContact CZ2-CD2 4.02Å; W282-F375 HydrophobicContact CZ2-CG 4.49Å; C286-F375 HydrophobicContact CB-CD2 4.5Å; C286-F375 HydrophobicContact CB-CE2 3.83Å; C286-F375 HydrophobicContact CB-CZ 4.42Å; C286-F375 VanDerWaalsContact SG-CD2 3.52Å; C286-F375 WeakPolarHBondContact SG-CE2 3.16Å; A293-F375 HydrophobicContact CB-CE1 4.45Å; Y371-F375 HydrophobicContact CD2-CB 4.25Å; Y371-F375 HydrophobicContact CE1-CB 4.34Å; Y371-F375 HydrophobicContact CE1-CD1 4.33Å; Y371-F375 HydrophobicContact CE1-CG 4.37Å; Y371-F375 HydrophobicContact CE2-CB 3.85Å; Y371-F375 HydrophobicContact CE2-CD2 4.48Å; Y371-F375 HydrophobicContact CE2-CG 4.18Å; Y371-F375 AromaticContact CZ-CG 3.83Å; Y371-F375 VanDerWaalsContact O-CB 3.28Å; Y371-F375 WeakPolarHBondContact O-CB 3.13Å; Y371-F375 PolarHBondContact O-N 2.84Å; F375-R377 PolarHBondContact O-N 3.31Å; F375-K378 PolarHBondContact O-N 2.83Å; F375-W379 WeakPolarHBondContact O-CA 3.39Å; F375-W379 WeakPolarHBondContact O-CB 3.47Å; F375-W379 PolarHBondContact O-N 3.04Å; F375-E380 PolarHBondContact O-N 3.35Å
376	E	66.9	Low	75.5	Confident	48 Å²	48	35.9 Å²	35.9	22%	0.224	18%	0.175	C	C	.	.	I	π-helix	trans	-57.9	-53.8	-173.3	-174.8	-164.8	164.3	0	0	111.6	L372 K378 N381	L372-E376 PolarHBondContact O-N 3.19Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 2.81Å; E376-N381 PolarHBondContact O-N 3.45Å
377	R	65.9	Low	76.2	Confident	85 Å²	85	40 Å²	40	32%	0.321	19%	0.194	S	C	.	.	I	π-helix	trans	-73	-20.7	-172.9	174.5	171.6	165.7	141.2	-9.6	114.1	M331 C332 L372 F375	M331-R377 HydrophobicContact CB-CG 4.47Å; M331-R377 PolarHBondContact O-NE 2.71Å; M331-R377 PolarHBondContact O-NH1 2.99Å; C332-R377 VanDerWaalsContact CB-NH2 3.26Å; L372-R377 PolarHBondContact O-N 3.3Å; F375-R377 PolarHBondContact O-N 3.31Å
378	K	72.8	Confident	76.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-124.2	-72.4	-175.6	-70.3	-59.3	-158.1	151.6	0	112.8	M331 F373 F375 E376 E380 N381 H382 Y435 E458	M331-K378 HydrophobicContact SD-CD 3.64Å; F373-K378 WeakPolarHBondContact O-CG 3.49Å; F375-K378 PolarHBondContact O-N 2.83Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 2.81Å; K378-E380 PolarHBondContact O-N 2.7Å; K378-N381 PolarHBondContact O-N 2.96Å; K378-H382 PolarHBondContact O-CD2 3.25Å; K378-H382 PolarHBondContact O-N 3.24Å; K378-Y435 HydrophobicContact CB-CD1 3.61Å; K378-Y435 HydrophobicContact CB-CD2 4.1Å; K378-Y435 HydrophobicContact CB-CE1 3.71Å; K378-Y435 HydrophobicContact CB-CE2 4.19Å; K378-Y435 HydrophobicContact CB-CG 3.8Å; K378-Y435 HydrophobicContact CD-CD1 4.36Å; K378-Y435 HydrophobicContact CD-CE1 3.59Å; K378-Y435 HydrophobicContact CD-CE2 4.46Å; K378-Y435 HydrophobicContact CG-CD1 3.81Å; K378-Y435 HydrophobicContact CG-CE1 3.53Å; K378-Y435 HydrophobicContact CG-CG 4.5Å; K378-Y435 PolarHBondContact NZ-OH 2.85Å; K378-E458 IonicContact NZ-OE1 3.69Å; K378-E458 PolarHBondContact NZ-OE1 3.27Å; K378-E458 IonicContact NZ-OE2 3.79Å; K378-E458 PolarHBondContact NZ-OE2 3.14Å
379	W	75.3	Confident	77.5	Confident	22 Å²	22	35.8 Å²	35.8	8%	0.083	16%	0.164	C	C	.	.	I	π-helix	trans	-51.7	-53.5	-178.3	175.2	-89.5	0	0	0	112.9	I279 W282 Y374 F375 H382 N383 Q432 Y433 P436	I279-W379 HydrophobicContact CD1-CH2 3.63Å; I279-W379 HydrophobicContact CD1-CZ2 4.32Å; I279-W379 HydrophobicContact CD1-CZ3 4.35Å; W282-W379 HydrophobicContact CZ2-CB 4.14Å; W282-W379 HydrophobicContact CZ2-CG 4.38Å; W282-W379 AromaticContact NE1-CD2 3.43Å; W282-W379 AromaticContact NE1-CE2 3.65Å; W282-W379 AromaticContact NE1-CE3 3.73Å; W282-W379 AromaticContact NE1-CG 3.74Å; Y374-W379 WeakPolarHBondContact O-CB 3.49Å; Y374-W379 PolarHBondContact O-N 3.3Å; F375-W379 WeakPolarHBondContact O-CA 3.39Å; F375-W379 WeakPolarHBondContact O-CB 3.47Å; F375-W379 PolarHBondContact O-N 3.04Å; W379-H382 PolarHBondContact O-N 2.96Å; W379-N383 WeakPolarHBondContact O-CB 3.34Å; W379-N383 PolarHBondContact O-N 3.2Å; W379-Q432 HydrophobicContact CD2-CG 3.87Å; W379-Q432 HydrophobicContact CE3-CG 3.65Å; W379-Q432 HydrophobicContact CH2-CG 4.22Å; W379-Q432 HydrophobicContact CZ2-CG 4.39Å; W379-Q432 HydrophobicContact CZ3-CG 3.84Å; W379-Q432 WeakPolarHBondContact CZ3-O 3.05Å; W379-Y433 AromaticContact CH2-CD1 3.65Å; W379-Y433 HydrophobicContact CH2-CD1 3.65Å; W379-Y433 AromaticContact CH2-CE1 3.43Å; W379-Y433 HydrophobicContact CH2-CE1 3.43Å; W379-Y433 VanDerWaalsContact CH2-CE1 3.43Å; W379-Y433 HydrophobicContact CH2-CG 4.42Å; W379-Y433 AromaticContact CH2-CZ 3.96Å; W379-Y433 HydrophobicContact CZ2-CE1 4.41Å; W379-Y433 AromaticContact CZ3-CD1 3.84Å; W379-Y433 HydrophobicContact CZ3-CD1 3.84Å; W379-Y433 HydrophobicContact CZ3-CE1 4.1Å; W379-Y433 HydrophobicContact CZ3-CG 4.31Å; W379-P436 HydrophobicContact CD2-CG 4.44Å; W379-P436 HydrophobicContact CE3-CG 3.43Å; W379-P436 VanDerWaalsContact CE3-CG 3.43Å; W379-P436 HydrophobicContact CH2-CG 4.26Å; W379-P436 HydrophobicContact CZ3-CG 3.32Å
380	E	77.4	Confident	78.1	Confident	28 Å²	28	33 Å²	33	13%	0.131	16%	0.162	C	C	.	.	I	π-helix	trans	-71.6	-39.3	-176	-160.6	-155.7	160	0	0	111.6	F375 K378 H382 N383 K384	F375-E380 PolarHBondContact O-N 3.35Å; K378-E380 PolarHBondContact O-N 2.7Å; E380-H382 PolarHBondContact O-N 2.78Å; E380-N383 WeakPolarHBondContact O-CB 3.41Å; E380-N383 PolarHBondContact O-N 3.34Å; E380-K384 HydrophobicContact CG-CD 4.5Å; E380-K384 PolarHBondContact O-N 2.75Å; E380-K384 WeakPolarHBondContact OE1-CE 3.24Å; E380-K384 IonicContact OE1-NZ 3.37Å; E380-K384 PolarHBondContact OE1-NZ 3.14Å
381	N	78.8	Confident	78.6	Confident	13 Å²	13	35.8 Å²	35.8	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-40.8	174.4	179.4	66.5	0	0	0	112.8	K312 N317 M331 E376 K378 S385	K312-N381 PolarHBondContact NZ-OD1 3.34Å; N317-N381 PolarHBondContact ND2-ND2 2.73Å; N317-N381 PolarHBondContact OD1-ND2 3.08Å; N317-N381 PolarHBondContact OD1-OD1 2.87Å; M331-N381 WeakPolarHBondContact CG-ND2 3.22Å; M331-N381 PolarHBondContact SD-ND2 2.84Å; E376-N381 PolarHBondContact O-N 3.45Å; K378-N381 PolarHBondContact O-N 2.96Å; N381-S385 WeakPolarHBondContact O-CB 3.47Å; N381-S385 PolarHBondContact O-N 3.38Å; N381-S385 PolarHBondContact O-OG 2.7Å
382	H	81.1	Confident	78.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.9	-32.3	173.6	-72.3	-69.9	0	0	0	112.1	K378 W379 E380 S385 L386 R428 L431 Q432 Y435 E458 E462	K378-H382 PolarHBondContact O-CD2 3.25Å; K378-H382 PolarHBondContact O-N 3.24Å; W379-H382 PolarHBondContact O-N 2.96Å; E380-H382 PolarHBondContact O-N 2.78Å; H382-S385 PolarHBondContact O-N 2.89Å; H382-L386 WeakPolarHBondContact O-CB 3.43Å; H382-L386 PolarHBondContact O-N 2.89Å; H382-R428 HydrophobicContact CB-CG 4.48Å; H382-R428 WeakPolarHBondContact CE1-CG 3.35Å; H382-R428 PolarHBondContact CE1-NH1 3.49Å; H382-R428 PolarHBondContact ND1-NH1 3.46Å; H382-L431 WeakPolarHBondContact NE2-CD2 3.48Å; H382-Q432 HydrophobicContact CB-CB 4.34Å; H382-Y435 AromaticContact CD2-CE2 3.29Å; H382-Y435 WeakPolarHBondContact CD2-CE2 3.39Å; H382-Y435 AromaticContact CD2-CZ 3.91Å; H382-E458 IonicContact NE2-OE1 3.85Å; H382-E462 IonicContact CE1-OE1 2.77Å; H382-E462 IonicContact NE2-OE1 3.49Å; H382-E462 PolarHBondContact NE2-OE1 2.89Å
383	N	83.1	Confident	79.4	Confident	58 Å²	58	37.7 Å²	37.7	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-48.8	172.1	-162.3	69.1	0	0	0	111.9	W379 E380 L386 Q387 Q432	W379-N383 WeakPolarHBondContact O-CB 3.34Å; W379-N383 PolarHBondContact O-N 3.2Å; E380-N383 WeakPolarHBondContact O-CB 3.41Å; E380-N383 PolarHBondContact O-N 3.34Å; N383-L386 PolarHBondContact O-N 2.81Å; N383-Q387 WeakPolarHBondContact O-CG 3.43Å; N383-Q387 PolarHBondContact O-N 2.82Å; N383-Q387 VanDerWaalsContact O-N 3.12Å; N383-Q432 PolarHBondContact OD1-NE2 3.07Å
384	K	81.3	Confident	79.9	Confident	54 Å²	54	42 Å²	42	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-41.5	174.6	-75.1	170.8	166.9	167	0	111.4	E380 L386 Q387 L388	E380-K384 HydrophobicContact CG-CD 4.5Å; E380-K384 PolarHBondContact O-N 2.75Å; E380-K384 WeakPolarHBondContact OE1-CE 3.24Å; E380-K384 IonicContact OE1-NZ 3.37Å; E380-K384 PolarHBondContact OE1-NZ 3.14Å; K384-L386 PolarHBondContact O-N 3.28Å; K384-Q387 PolarHBondContact O-N 3.04Å; K384-L388 WeakPolarHBondContact O-CG 3.19Å; K384-L388 PolarHBondContact O-N 2.92Å; K384-L388 VanDerWaalsContact O-N 3.14Å
385	S	85.6	Confident	80.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-41.2	172.9	-77.2	0	0	0	0	113.3	K312 G315 N381 H382 Q387 L388 E389	K312-S385 PolarHBondContact NZ-OG 3.39Å; G315-S385 WeakPolarHBondContact O-CB 3.42Å; G315-S385 PolarHBondContact O-OG 2.91Å; N381-S385 WeakPolarHBondContact O-CB 3.47Å; N381-S385 PolarHBondContact O-N 3.38Å; N381-S385 PolarHBondContact O-OG 2.7Å; H382-S385 PolarHBondContact O-N 2.89Å; S385-Q387 VanDerWaalsContact C-N 3.35Å; S385-L388 PolarHBondContact O-N 3.49Å; S385-E389 PolarHBondContact O-N 3.42Å
386	L	84.8	Confident	80.8	Confident	38 Å²	38	47.8 Å²	47.8	20%	0.199	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-36	179.3	-174.5	66.1	0	0	0	111.9	H382 N383 K384 E389 A390 A425 Y429	H382-L386 WeakPolarHBondContact O-CB 3.43Å; H382-L386 PolarHBondContact O-N 2.89Å; N383-L386 PolarHBondContact O-N 2.81Å; K384-L386 PolarHBondContact O-N 3.28Å; L386-E389 PolarHBondContact O-N 3.48Å; L386-A390 PolarHBondContact O-N 3.39Å; L386-A425 HydrophobicContact CD1-CB 3.95Å; L386-Y429 HydrophobicContact CD2-CD2 4.03Å
387	Q	84.9	Confident	81.6	Confident	113 Å²	113	49.1 Å²	49.1	53%	0.528	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-41.2	172.8	-69.7	173	-17.7	0	0	112	N383 K384 S385 A390 Q391	N383-Q387 WeakPolarHBondContact O-CG 3.43Å; N383-Q387 PolarHBondContact O-N 2.82Å; N383-Q387 VanDerWaalsContact O-N 3.12Å; K384-Q387 PolarHBondContact O-N 3.04Å; S385-Q387 VanDerWaalsContact C-N 3.35Å; Q387-A390 PolarHBondContact O-N 3.44Å; Q387-Q391 PolarHBondContact O-N 2.73Å
388	L	84.6	Confident	82.5	Confident	36 Å²	36	50.3 Å²	50.3	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-36	176.1	-67	169.3	0	0	0	112	K312 G314 K384 S385 A390 Q391 T392	K312-L388 HydrophobicContact CD-CD1 4.25Å; K312-L388 HydrophobicContact CG-CD1 4.23Å; G314-L388 VanDerWaalsContact O-CD1 3.22Å; G314-L388 WeakPolarHBondContact O-CD1 3.34Å; K384-L388 WeakPolarHBondContact O-CG 3.19Å; K384-L388 PolarHBondContact O-N 2.92Å; K384-L388 VanDerWaalsContact O-N 3.14Å; S385-L388 PolarHBondContact O-N 3.49Å; L388-A390 VanDerWaalsContact C-N 3.33Å; L388-A390 PolarHBondContact O-N 3.01Å; L388-Q391 PolarHBondContact O-N 2.73Å; L388-T392 PolarHBondContact O-N 3.5Å; L388-T392 PolarHBondContact O-OG1 2.59Å
389	E	84.9	Confident	82.9	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-33.3	172.9	-80.7	170.2	176	0	0	112.7	S385 L386 T392 Y393 L424 R428 S465	S385-E389 PolarHBondContact O-N 3.42Å; L386-E389 PolarHBondContact O-N 3.48Å; E389-T392 PolarHBondContact O-N 3.4Å; E389-Y393 WeakPolarHBondContact O-CB 3.5Å; E389-Y393 PolarHBondContact O-N 2.94Å; E389-L424 HydrophobicContact CG-CD2 4.11Å; E389-L424 WeakPolarHBondContact OE1-CD2 3.36Å; E389-R428 IonicContact OE1-CZ 2.79Å; E389-R428 IonicContact OE1-NE 2.7Å; E389-R428 PolarHBondContact OE1-NE 3.05Å; E389-R428 IonicContact OE1-NH2 3.57Å; E389-R428 PolarHBondContact OE1-NH2 3.31Å; E389-R428 WeakPolarHBondContact OE2-CD 3.47Å; E389-R428 IonicContact OE2-CZ 2.62Å; E389-R428 IonicContact OE2-NE 3.14Å; E389-R428 PolarHBondContact OE2-NE 3.06Å; E389-S465 WeakPolarHBondContact OE1-CB 3.38Å; E389-S465 PolarHBondContact OE1-OG 3.22Å
390	A	85.2	Confident	83.2	Confident	53 Å²	53	53.7 Å²	53.7	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-38.2	172.5	0	0	0	0	0	112.6	L386 Q387 L388 Y393 Q394	L386-A390 PolarHBondContact O-N 3.39Å; Q387-A390 PolarHBondContact O-N 3.44Å; L388-A390 VanDerWaalsContact C-N 3.33Å; L388-A390 PolarHBondContact O-N 3.01Å; A390-Y393 PolarHBondContact O-N 3.42Å; A390-Q394 WeakPolarHBondContact O-CG 3.44Å; A390-Q394 PolarHBondContact O-N 2.9Å; A390-Q394 VanDerWaalsContact O-N 3.12Å
391	Q	85.9	Confident	83.5	Confident	100 Å²	100	57.2 Å²	57.2	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-40.5	173.1	-63.7	174.6	9.7	0	0	111.7	Q387 L388 Y393 Q394 R395	Q387-Q391 PolarHBondContact O-N 2.73Å; L388-Q391 PolarHBondContact O-N 2.73Å; Q391-Y393 VanDerWaalsContact C-N 3.34Å; Q391-Q394 PolarHBondContact O-N 2.99Å; Q391-R395 PolarHBondContact O-N 2.54Å
392	T	81.5	Confident	83.7	Confident	17 Å²	17	62.3 Å²	62.3	10%	0.104	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-38.2	174.4	-67.3	0	0	0	0	111.7	L388 E389 R395 I396 E469	L388-T392 PolarHBondContact O-N 3.5Å; L388-T392 PolarHBondContact O-OG1 2.59Å; E389-T392 PolarHBondContact O-N 3.4Å; T392-R395 PolarHBondContact O-N 3.12Å; T392-I396 HydrophobicContact CG2-CD1 3.87Å; T392-I396 HydrophobicContact CG2-CG1 4.44Å; T392-I396 WeakPolarHBondContact O-CB 3.16Å; T392-I396 VanDerWaalsContact O-CG1 3.27Å; T392-I396 WeakPolarHBondContact O-CG1 3.32Å; T392-I396 PolarHBondContact O-N 3.39Å; T392-E469 HydrophobicContact CG2-CG 4.35Å
393	Y	83.9	Confident	83.6	Confident	70 Å²	70	66 Å²	66	28%	0.275	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174.2	172.5	-88.9	0	0	0	112.3	E389 A390 Q391 I396 Q397 H418 A421	E389-Y393 WeakPolarHBondContact O-CB 3.5Å; E389-Y393 PolarHBondContact O-N 2.94Å; A390-Y393 PolarHBondContact O-N 3.42Å; Q391-Y393 VanDerWaalsContact C-N 3.34Å; Y393-I396 PolarHBondContact O-N 3.35Å; Y393-Q397 PolarHBondContact O-N 3.32Å; Y393-H418 AromaticContact CE2-CE1 3.62Å; Y393-H418 AromaticContact CE2-ND1 3.88Å; Y393-H418 AromaticContact CZ-CE1 3.45Å; Y393-H418 VanDerWaalsContact CZ-CE1 3.45Å; Y393-H418 AromaticContact CZ-NE2 3.93Å; Y393-H418 PolarHBondContact OH-CE1 3.26Å; Y393-H418 PolarHBondContact OH-NE2 2.76Å; Y393-A421 HydrophobicContact CD2-CB 3.84Å
394	Q	85.5	Confident	83.5	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-49.4	173.4	-72.6	172.5	-30.2	0	0	111.3	A390 Q391 I396 Q397 E398	A390-Q394 WeakPolarHBondContact O-CG 3.44Å; A390-Q394 PolarHBondContact O-N 2.9Å; A390-Q394 VanDerWaalsContact O-N 3.12Å; Q391-Q394 PolarHBondContact O-N 2.99Å; Q394-I396 VanDerWaalsContact C-N 3.28Å; Q394-I396 PolarHBondContact O-N 2.88Å; Q394-Q397 WeakPolarHBondContact O-CB 3.19Å; Q394-Q397 PolarHBondContact O-N 2.99Å; Q394-E398 WeakPolarHBondContact O-CG 3.25Å; Q394-E398 PolarHBondContact O-N 3.3Å
395	R	84.3	Confident	83.5	Confident	127 Å²	127	70.6 Å²	70.6	48%	0.479	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-33	177.3	-165.1	-172.4	-57.9	135.3	5.9	113.5	Q391 T392 E398 K399	Q391-R395 PolarHBondContact O-N 2.54Å; T392-R395 PolarHBondContact O-N 3.12Å; R395-E398 WeakPolarHBondContact CA-OE2 3.34Å; R395-K399 WeakPolarHBondContact O-CB 2.98Å; R395-K399 WeakPolarHBondContact O-CG 3.2Å; R395-K399 PolarHBondContact O-N 3.44Å; R395-K399 VanDerWaalsContact O-N 3.08Å
396	I	82.3	Confident	83.3	Confident	14 Å²	14	75.9 Å²	75.9	7%	0.072	36%	0.364	C	S	.	.	H	α-helix	trans	-67.9	-45.5	172.5	-76.7	168.3	0	0	0	110.1	T392 Y393 Q394 E398 K399 I400 L417 A421 V468	T392-I396 HydrophobicContact CG2-CD1 3.87Å; T392-I396 HydrophobicContact CG2-CG1 4.44Å; T392-I396 WeakPolarHBondContact O-CB 3.16Å; T392-I396 VanDerWaalsContact O-CG1 3.27Å; T392-I396 WeakPolarHBondContact O-CG1 3.32Å; T392-I396 PolarHBondContact O-N 3.39Å; Y393-I396 PolarHBondContact O-N 3.35Å; Q394-I396 VanDerWaalsContact C-N 3.28Å; Q394-I396 PolarHBondContact O-N 2.88Å; I396-E398 PolarHBondContact O-N 3.44Å; I396-K399 PolarHBondContact O-N 3.25Å; I396-I400 HydrophobicContact CG2-CD1 3.67Å; I396-I400 HydrophobicContact CG2-CG1 4.44Å; I396-I400 WeakPolarHBondContact O-CD1 3.31Å; I396-I400 WeakPolarHBondContact O-CG1 3.21Å; I396-I400 PolarHBondContact O-N 2.93Å; I396-L417 HydrophobicContact CD1-CD1 4.45Å; I396-L417 HydrophobicContact CD1-CG 4.43Å; I396-L417 HydrophobicContact CG2-CD2 3.94Å; I396-L417 HydrophobicContact CG2-CG 3.94Å; I396-A421 HydrophobicContact CD1-CB 4.44Å; I396-V468 HydrophobicContact CD1-CG1 3.63Å
397	Q	83.8	Confident	82.9	Confident	76 Å²	76	81.2 Å²	81.2	36%	0.355	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-42.6	177.9	-172.6	178.6	-49.1	0	0	112	Y393 Q394 I400 Q401	Y393-Q397 PolarHBondContact O-N 3.32Å; Q394-Q397 WeakPolarHBondContact O-CB 3.19Å; Q394-Q397 PolarHBondContact O-N 2.99Å; Q397-I400 PolarHBondContact O-N 2.84Å; Q397-Q401 WeakPolarHBondContact O-CG 3.37Å; Q397-Q401 PolarHBondContact O-N 2.88Å
398	E	85.3	Confident	82.2	Confident	109 Å²	109	81 Å²	81	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-53.2	173.8	-69.2	163.8	169.6	0	0	111.2	Q394 R395 I396 I400 Q401 E402	Q394-E398 WeakPolarHBondContact O-CG 3.25Å; Q394-E398 PolarHBondContact O-N 3.3Å; R395-E398 WeakPolarHBondContact CA-OE2 3.34Å; I396-E398 PolarHBondContact O-N 3.44Å; E398-I400 PolarHBondContact O-N 3.33Å; E398-Q401 PolarHBondContact O-N 3.03Å; E398-Q401 VanDerWaalsContact O-N 3.1Å; E398-E402 WeakPolarHBondContact O-CG 3.49Å; E398-E402 PolarHBondContact O-N 3.29Å
399	K	82.1	Confident	81.6	Confident	88 Å²	88	80.6 Å²	80.6	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-55.1	-37	175.5	-83.6	-175.9	168.4	-168	0	113.3	R395 I396 R403 D472	R395-K399 WeakPolarHBondContact O-CB 2.98Å; R395-K399 WeakPolarHBondContact O-CG 3.2Å; R395-K399 PolarHBondContact O-N 3.44Å; R395-K399 VanDerWaalsContact O-N 3.08Å; I396-K399 PolarHBondContact O-N 3.25Å; K399-R403 WeakPolarHBondContact O-CG 3.42Å; K399-R403 PolarHBondContact O-N 3Å; K399-D472 IonicContact NZ-OD1 2.76Å; K399-D472 PolarHBondContact NZ-OD1 3.05Å; K399-D472 VanDerWaalsContact NZ-OD1 3.09Å
400	I	80.6	Confident	81.1	Confident	6 Å²	6	83.4 Å²	83.4	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-70.2	-45.1	178.1	-69.2	167.1	0	0	0	110.1	I396 Q397 E398 E402 R403 V404 W414	I396-I400 HydrophobicContact CG2-CD1 3.67Å; I396-I400 HydrophobicContact CG2-CG1 4.44Å; I396-I400 WeakPolarHBondContact O-CD1 3.31Å; I396-I400 WeakPolarHBondContact O-CG1 3.21Å; I396-I400 PolarHBondContact O-N 2.93Å; Q397-I400 PolarHBondContact O-N 2.84Å; E398-I400 PolarHBondContact O-N 3.33Å; I400-E402 PolarHBondContact O-N 2.96Å; I400-R403 PolarHBondContact O-N 2.78Å; I400-V404 HydrophobicContact CG2-CG2 4.37Å; I400-V404 WeakPolarHBondContact O-CG2 3.4Å; I400-V404 PolarHBondContact O-N 2.85Å; I400-W414 HydrophobicContact CB-CB 4.33Å; I400-W414 HydrophobicContact CD1-CB 3.7Å; I400-W414 HydrophobicContact CG1-CB 3.65Å; I400-W414 HydrophobicContact CG1-CD2 4.44Å; I400-W414 HydrophobicContact CG1-CG 3.96Å; I400-W414 HydrophobicContact CG2-CB 3.73Å; I400-W414 HydrophobicContact CG2-CG 4.05Å
401	Q	83.1	Confident	80.5	Confident	101 Å²	101	86.9 Å²	86.9	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-59.9	-45.5	175.7	-72.7	174.5	-31.5	0	0	111.3	Q397 E398 R403 V404 M405	Q397-Q401 WeakPolarHBondContact O-CG 3.37Å; Q397-Q401 PolarHBondContact O-N 2.88Å; E398-Q401 PolarHBondContact O-N 3.03Å; E398-Q401 VanDerWaalsContact O-N 3.1Å; Q401-R403 PolarHBondContact O-N 2.76Å; Q401-V404 PolarHBondContact O-N 3.39Å; Q401-M405 WeakPolarHBondContact O-CB 3.42Å; Q401-M405 VanDerWaalsContact O-CG 3.28Å; Q401-M405 WeakPolarHBondContact O-CG 3.11Å; Q401-M405 PolarHBondContact O-N 3.35Å
402	E	83.4	Confident	79.8	Confident	120 Å²	120	88 Å²	88	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-57.3	-46.4	173.5	-71.4	178.5	161.5	0	0	112.3	E398 I400 M405 N406	E398-E402 WeakPolarHBondContact O-CG 3.49Å; E398-E402 PolarHBondContact O-N 3.29Å; I400-E402 PolarHBondContact O-N 2.96Å; E402-M405 PolarHBondContact O-N 3.35Å; E402-N406 WeakPolarHBondContact O-CB 3.19Å; E402-N406 PolarHBondContact O-N 3.02Å; E402-N406 PolarHBondContact O-ND2 3.5Å
403	R	79.1	Confident	79.3	Confident	78 Å²	78	90 Å²	90	29%	0.294	44%	0.436	S	S	.	.	H	α-helix	trans	-67.4	-40.5	-179.3	-75.8	-177.1	179.8	-163.3	-0.4	112.7	K399 I400 Q401 N406 N407 L408 D472	K399-R403 WeakPolarHBondContact O-CG 3.42Å; K399-R403 PolarHBondContact O-N 3Å; I400-R403 PolarHBondContact O-N 2.78Å; Q401-R403 PolarHBondContact O-N 2.76Å; R403-N406 CarbonylContact O-C 3.51Å; R403-N406 PolarHBondContact O-N 3.42Å; R403-N407 PolarHBondContact O-N 2.78Å; R403-L408 HydrophobicContact CB-CB 4.31Å; R403-L408 PolarHBondContact O-N 2.93Å; R403-D472 PolarHBondContact NH1-O 3.01Å; R403-D472 PolarHBondContact NH2-O 3.42Å
404	V	82.2	Confident	78.8	Confident	50 Å²	50	87 Å²	87	30%	0.303	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-42.7	175.5	173	0	0	0	0	111	I400 Q401 N406 N407	I400-V404 HydrophobicContact CG2-CG2 4.37Å; I400-V404 WeakPolarHBondContact O-CG2 3.4Å; I400-V404 PolarHBondContact O-N 2.85Å; Q401-V404 PolarHBondContact O-N 3.39Å; V404-N406 PolarHBondContact O-N 2.97Å; V404-N407 PolarHBondContact O-N 3.25Å
405	M	80.5	Confident	78.4	Confident	158 Å²	158	85 Å²	85	78%	0.778	42%	0.415	S	S	*	.	H	α-helix	trans	-65.1	-26.3	175.1	-72.2	179.8	69.7	0	0	113.5	Q401 E402 N407	Q401-M405 WeakPolarHBondContact O-CB 3.42Å; Q401-M405 VanDerWaalsContact O-CG 3.28Å; Q401-M405 WeakPolarHBondContact O-CG 3.11Å; Q401-M405 PolarHBondContact O-N 3.35Å; E402-M405 PolarHBondContact O-N 3.35Å; M405-N407 VanDerWaalsContact C-N 3.32Å
406	N	82.1	Confident	78.2	Confident	112 Å²	112	80.3 Å²	80.3	60%	0.599	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	12.2	173.6	-72.9	-65.9	0	0	0	113.4	E402 R403 V404 L408	E402-N406 WeakPolarHBondContact O-CB 3.19Å; E402-N406 PolarHBondContact O-N 3.02Å; E402-N406 PolarHBondContact O-ND2 3.5Å; R403-N406 CarbonylContact O-C 3.51Å; R403-N406 PolarHBondContact O-N 3.42Å; V404-N406 PolarHBondContact O-N 2.97Å; N406-L408 HydrophobicContact CB-CD1 4.21Å; N406-L408 HydrophobicContact CB-CG 4.3Å; N406-L408 PolarHBondContact O-N 3.29Å
407	N	75.6	Confident	78	Confident	150 Å²	150	80 Å²	80	80%	0.802	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.3	-178.5	-58.9	-38.5	0	0	0	115.1	R403 V404 M405 G409	R403-N407 PolarHBondContact O-N 2.78Å; V404-N407 PolarHBondContact O-N 3.25Å; M405-N407 VanDerWaalsContact C-N 3.32Å; N407-G409 PolarHBondContact O-N 3.38Å; N407-G409 VanDerWaalsContact O-N 3.11Å
408	L	70.4	Confident	77.9	Confident	108 Å²	108	77.8 Å²	77.8	57%	0.565	39%	0.386	S	S	*	.	S	Bend	trans	-87.9	47.9	-179.9	-65.2	172.3	0	0	0	112.1	R403 N406 Y474	R403-L408 HydrophobicContact CB-CB 4.31Å; R403-L408 PolarHBondContact O-N 2.93Å; N406-L408 HydrophobicContact CB-CD1 4.21Å; N406-L408 HydrophobicContact CB-CG 4.3Å; N406-L408 PolarHBondContact O-N 3.29Å; L408-Y474 PolarHBondContact O-OH 3.42Å
409	G	72.4	Confident	77.8	Confident	27 Å²	27	75.2 Å²	75.2	28%	0.278	38%	0.376	S	S	.	.	S	Bend	trans	106	168.8	-175.3	0	0	0	0	0	114.1	N407	N407-G409 PolarHBondContact O-N 3.38Å; N407-G409 VanDerWaalsContact O-N 3.11Å
410	T	74.3	Confident	77.9	Confident	71 Å²	71	71 Å²	71	44%	0.436	36%	0.357	S	S	.	.			trans	-87.9	171.9	179.4	72.4	0	0	0	0	111.7	I412 D413 W414	T410-I412 VanDerWaalsContact C-N 3.28Å; T410-I412 PolarHBondContact O-N 3.1Å; T410-I412 PolarHBondContact OG1-N 3.19Å; T410-D413 WeakPolarHBondContact CA-OD2 3.34Å; T410-D413 WeakPolarHBondContact CB-OD2 3.19Å; T410-D413 PolarHBondContact N-OD2 2.92Å; T410-D413 WeakPolarHBondContact O-CB 3.32Å; T410-D413 PolarHBondContact O-N 2.72Å; T410-D413 PolarHBondContact OG1-N 2.76Å; T410-D413 PolarHBondContact OG1-OD2 2.92Å; T410-W414 VanDerWaalsContact O-CD1 3.24Å
411	W	72.6	Confident	78.1	Confident	126 Å²	126	71.1 Å²	71.1	48%	0.477	36%	0.359	S	S	.	.	S	Bend	trans	-65.7	-31.6	173	-173	88.9	0	0	0	112.9	D413 W414 Q415	W411-D413 VanDerWaalsContact C-N 3.29Å; W411-D413 PolarHBondContact O-N 3.23Å; W411-W414 PolarHBondContact O-N 3.08Å; W411-W414 VanDerWaalsContact O-N 3.12Å; W411-Q415 HydrophobicContact CE3-CB 4.37Å; W411-Q415 HydrophobicContact CE3-CG 4.46Å; W411-Q415 HydrophobicContact CH2-CB 4.44Å; W411-Q415 HydrophobicContact CH2-CG 3.83Å; W411-Q415 HydrophobicContact CZ3-CB 4.04Å; W411-Q415 HydrophobicContact CZ3-CG 3.65Å; W411-Q415 PolarHBondContact O-N 3.1Å
412	I	71.8	Confident	78.2	Confident	123 Å²	123	72.6 Å²	72.6	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-42.2	179.1	-59.7	166.6	0	0	0	109.9	T410 W414 Q415	T410-I412 VanDerWaalsContact C-N 3.28Å; T410-I412 PolarHBondContact O-N 3.1Å; T410-I412 PolarHBondContact OG1-N 3.19Å; I412-W414 PolarHBondContact O-N 2.89Å; I412-Q415 VanDerWaalsContact O-CB 3.3Å; I412-Q415 WeakPolarHBondContact O-CB 3.31Å; I412-Q415 PolarHBondContact O-N 3.39Å
413	D	69.8	Low	78.3	Confident	60 Å²	60	68.2 Å²	68.2	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-21	177.4	-65.8	-64.9	0	0	0	114	T410 W411 Y416 Y474	T410-D413 WeakPolarHBondContact CA-OD2 3.34Å; T410-D413 WeakPolarHBondContact CB-OD2 3.19Å; T410-D413 PolarHBondContact N-OD2 2.92Å; T410-D413 WeakPolarHBondContact O-CB 3.32Å; T410-D413 PolarHBondContact O-N 2.72Å; T410-D413 PolarHBondContact OG1-N 2.76Å; T410-D413 PolarHBondContact OG1-OD2 2.92Å; W411-D413 VanDerWaalsContact C-N 3.29Å; W411-D413 PolarHBondContact O-N 3.23Å; D413-Y416 WeakPolarHBondContact O-CD1 3.02Å; D413-Y416 WeakPolarHBondContact O-CE1 3.34Å; D413-Y474 HydrophobicContact CB-CE1 3.86Å
414	W	72.9	Confident	78.6	Confident	8 Å²	8	64.6 Å²	64.6	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-111.3	-1.4	179.2	-58.4	101.1	0	0	0	113.7	I400 T410 W411 I412 Y416 L417 H418 Y474	I400-W414 HydrophobicContact CB-CB 4.33Å; I400-W414 HydrophobicContact CD1-CB 3.7Å; I400-W414 HydrophobicContact CG1-CB 3.65Å; I400-W414 HydrophobicContact CG1-CD2 4.44Å; I400-W414 HydrophobicContact CG1-CG 3.96Å; I400-W414 HydrophobicContact CG2-CB 3.73Å; I400-W414 HydrophobicContact CG2-CG 4.05Å; T410-W414 VanDerWaalsContact O-CD1 3.24Å; W411-W414 PolarHBondContact O-N 3.08Å; W411-W414 VanDerWaalsContact O-N 3.12Å; I412-W414 PolarHBondContact O-N 2.89Å; W414-Y416 PolarHBondContact O-N 2.98Å; W414-L417 PolarHBondContact O-N 2.96Å; W414-L417 VanDerWaalsContact O-N 3.14Å; W414-H418 PolarHBondContact O-N 3.38Å; W414-Y474 AromaticContact CH2-CD2 3.87Å; W414-Y474 HydrophobicContact CH2-CD2 3.87Å; W414-Y474 AromaticContact CH2-CE2 3.56Å; W414-Y474 HydrophobicContact CH2-CE2 3.56Å; W414-Y474 HydrophobicContact CZ2-CD2 4.17Å; W414-Y474 AromaticContact CZ2-CE2 3.38Å; W414-Y474 HydrophobicContact CZ2-CE2 3.38Å; W414-Y474 AromaticContact CZ2-CZ 3.65Å
415	Q	77.5	Confident	78.8	Confident	72 Å²	72	63.9 Å²	63.9	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-33.5	-177	-169.9	-179.8	12.5	0	0	112.1	W411 I412 L417 H418 N419	W411-Q415 HydrophobicContact CE3-CB 4.37Å; W411-Q415 HydrophobicContact CE3-CG 4.46Å; W411-Q415 HydrophobicContact CH2-CB 4.44Å; W411-Q415 HydrophobicContact CH2-CG 3.83Å; W411-Q415 HydrophobicContact CZ3-CB 4.04Å; W411-Q415 HydrophobicContact CZ3-CG 3.65Å; W411-Q415 PolarHBondContact O-N 3.1Å; I412-Q415 VanDerWaalsContact O-CB 3.3Å; I412-Q415 WeakPolarHBondContact O-CB 3.31Å; I412-Q415 PolarHBondContact O-N 3.39Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; Q415-L417 PolarHBondContact O-N 3.33Å; Q415-H418 PolarHBondContact O-N 3.32Å; Q415-N419 WeakPolarHBondContact O-CB 3.45Å; Q415-N419 PolarHBondContact O-N 2.91Å; Q415-N419 PolarHBondContact O-ND2 3.32Å
416	Y	80	Confident	79	Confident	29 Å²	29	59.6 Å²	59.6	11%	0.114	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-41.1	176.6	76.2	-95.7	0	0	0	112.1	D413 W414 N419 A420 L480 E481	D413-Y416 WeakPolarHBondContact O-CD1 3.02Å; D413-Y416 WeakPolarHBondContact O-CE1 3.34Å; W414-Y416 PolarHBondContact O-N 2.98Å; Y416-N419 PolarHBondContact O-N 2.94Å; Y416-A420 WeakPolarHBondContact O-CB 3.5Å; Y416-A420 PolarHBondContact O-N 3.27Å; Y416-L480 HydrophobicContact CD2-CD2 3.98Å; Y416-L480 HydrophobicContact CE2-CD2 4.02Å; Y416-E481 WeakPolarHBondContact CB-OE1 3.39Å
417	L	79.3	Confident	79.2	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-38	-179.6	-177.9	61.5	0	0	0	111.6	I396 W414 Q415 A420 A421 V468 A471 L480	I396-L417 HydrophobicContact CD1-CD1 4.45Å; I396-L417 HydrophobicContact CD1-CG 4.43Å; I396-L417 HydrophobicContact CG2-CD2 3.94Å; I396-L417 HydrophobicContact CG2-CG 3.94Å; W414-L417 PolarHBondContact O-N 2.96Å; W414-L417 VanDerWaalsContact O-N 3.14Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; Q415-L417 PolarHBondContact O-N 3.33Å; L417-A420 WeakPolarHBondContact O-CB 3.5Å; L417-A420 PolarHBondContact O-N 3.03Å; L417-A421 PolarHBondContact O-N 2.72Å; L417-A421 VanDerWaalsContact O-N 3.08Å; L417-V468 HydrophobicContact CD1-CG1 4.37Å; L417-A471 HydrophobicContact CD1-CB 3.82Å; L417-L480 HydrophobicContact CD1-CD2 3.91Å
418	H	80.9	Confident	79.7	Confident	28 Å²	28	47.1 Å²	47.1	13%	0.13	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173.8	-172.3	87.8	0	0	0	111.5	Y393 W414 Q415 A421 K422	Y393-H418 AromaticContact CE2-CE1 3.62Å; Y393-H418 AromaticContact CE2-ND1 3.88Å; Y393-H418 AromaticContact CZ-CE1 3.45Å; Y393-H418 VanDerWaalsContact CZ-CE1 3.45Å; Y393-H418 AromaticContact CZ-NE2 3.93Å; Y393-H418 PolarHBondContact OH-CE1 3.26Å; Y393-H418 PolarHBondContact OH-NE2 2.76Å; W414-H418 PolarHBondContact O-N 3.38Å; Q415-H418 PolarHBondContact O-N 3.32Å; H418-A421 PolarHBondContact O-N 3.39Å; H418-K422 WeakPolarHBondContact O-CB 3.37Å; H418-K422 PolarHBondContact O-N 3.48Å
419	N	83.3	Confident	80.3	Confident	56 Å²	56	43.6 Å²	43.6	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-38.3	173.5	-74.9	-21.4	0	0	0	112.2	Q415 Y416 K422 L423 M484	Q415-N419 WeakPolarHBondContact O-CB 3.45Å; Q415-N419 PolarHBondContact O-N 2.91Å; Q415-N419 PolarHBondContact O-ND2 3.32Å; Y416-N419 PolarHBondContact O-N 2.94Å; N419-K422 PolarHBondContact O-N 3.44Å; N419-L423 WeakPolarHBondContact O-CB 3.32Å; N419-L423 PolarHBondContact O-N 2.83Å; N419-M484 HydrophobicContact CB-CE 3.9Å
420	A	84.7	Confident	80.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-48.2	176.1	0	0	0	0	0	112.1	Y416 L417 L423 L424 V468 L480 M484	Y416-A420 WeakPolarHBondContact O-CB 3.5Å; Y416-A420 PolarHBondContact O-N 3.27Å; L417-A420 WeakPolarHBondContact O-CB 3.5Å; L417-A420 PolarHBondContact O-N 3.03Å; A420-L423 PolarHBondContact O-N 3.31Å; A420-L424 WeakPolarHBondContact O-CB 3.26Å; A420-L424 PolarHBondContact O-N 3.3Å; A420-V468 HydrophobicContact CB-CG2 3.91Å; A420-L480 HydrophobicContact CB-CD1 4.34Å; A420-L480 HydrophobicContact CB-CD2 3.58Å; A420-L480 HydrophobicContact CB-CG 3.87Å; A420-M484 VanDerWaalsContact CA-SD 3.5Å; A420-M484 HydrophobicContact CB-CE 4.37Å; A420-M484 HydrophobicContact CB-CG 4.05Å; A420-M484 HydrophobicContact CB-SD 3.47Å; A420-M484 WeakPolarHBondContact CB-SD 3.49Å
421	A	84.4	Confident	81.5	Confident	8 Å²	8	39 Å²	39	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-39	178	0	0	0	0	0	112.3	Y393 I396 L417 H418 L424 A425 V468	Y393-A421 HydrophobicContact CD2-CB 3.84Å; I396-A421 HydrophobicContact CD1-CB 4.44Å; L417-A421 PolarHBondContact O-N 2.72Å; L417-A421 VanDerWaalsContact O-N 3.08Å; H418-A421 PolarHBondContact O-N 3.39Å; A421-L424 PolarHBondContact O-N 3.32Å; A421-A425 PolarHBondContact O-N 3.47Å; A421-V468 HydrophobicContact CB-CG1 4.23Å
422	K	84.5	Confident	82.1	Confident	131 Å²	131	33.3 Å²	33.3	57%	0.57	17%	0.165	S	C	*	.	H	α-helix	trans	-64.4	-40.8	174.7	-175	177.7	179.4	-179.2	0	112.6	H418 N419 K426	H418-K422 WeakPolarHBondContact O-CB 3.37Å; H418-K422 PolarHBondContact O-N 3.48Å; N419-K422 PolarHBondContact O-N 3.44Å; K422-K426 PolarHBondContact O-N 3.33Å
423	L	85.8	Confident	82.6	Confident	28 Å²	28	28 Å²	28	15%	0.147	14%	0.137	C	C	.	.	H	α-helix	trans	-71.1	-42.3	175.8	-178.3	69.9	0	0	0	111.8	N419 A420 A425 K426 C427 M484 E488	N419-L423 WeakPolarHBondContact O-CB 3.32Å; N419-L423 PolarHBondContact O-N 2.83Å; A420-L423 PolarHBondContact O-N 3.31Å; L423-A425 VanDerWaalsContact C-N 3.28Å; L423-A425 PolarHBondContact O-N 3.45Å; L423-K426 WeakPolarHBondContact O-CA 3.48Å; L423-K426 WeakPolarHBondContact O-CB 3.48Å; L423-K426 PolarHBondContact O-N 2.71Å; L423-C427 WeakPolarHBondContact O-CB 3.24Å; L423-C427 PolarHBondContact O-N 2.76Å; L423-C427 PolarHBondContact O-SG 2.95Å; L423-C427 VanDerWaalsContact O-SG 3.36Å; L423-M484 HydrophobicContact CD2-CB 3.52Å; L423-M484 HydrophobicContact CD2-CE 4.34Å; L423-M484 HydrophobicContact CD2-CG 3.92Å; L423-M484 WeakPolarHBondContact CD2-O 3.36Å; L423-E488 HydrophobicContact CD1-CB 4.03Å; L423-E488 HydrophobicContact CD1-CG 4.33Å; L423-E488 WeakPolarHBondContact CD1-OE2 3.48Å; L423-E488 HydrophobicContact CD2-CB 4.19Å
424	L	86.7	Confident	83.4	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-53.1	-47.3	174.4	172.8	62.2	0	0	0	111.1	E389 A420 A421 C427 R428 I461 L464 V468	E389-L424 HydrophobicContact CG-CD2 4.11Å; E389-L424 WeakPolarHBondContact OE1-CD2 3.36Å; A420-L424 WeakPolarHBondContact O-CB 3.26Å; A420-L424 PolarHBondContact O-N 3.3Å; A421-L424 PolarHBondContact O-N 3.32Å; L424-C427 PolarHBondContact O-N 2.92Å; L424-R428 WeakPolarHBondContact O-CB 3.47Å; L424-R428 PolarHBondContact O-N 3.47Å; L424-I461 HydrophobicContact CD1-CG2 4.06Å; L424-L464 HydrophobicContact CB-CD2 3.94Å; L424-L464 HydrophobicContact CB-CG 4.29Å; L424-L464 HydrophobicContact CD1-CB 4.29Å; L424-L464 HydrophobicContact CD1-CD2 4.17Å; L424-L464 HydrophobicContact CD1-CG 4.17Å; L424-V468 HydrophobicContact CD2-CB 4.3Å; L424-V468 HydrophobicContact CD2-CG1 4.48Å; L424-V468 HydrophobicContact CD2-CG2 4.33Å
425	A	85.6	Confident	83.9	Confident	34 Å²	34	24.8 Å²	24.8	28%	0.281	12%	0.12	S	C	.	.	H	α-helix	trans	-60.2	-45	173.6	0	0	0	0	0	112.5	L386 A421 L423 C427 Y429	L386-A425 HydrophobicContact CD1-CB 3.95Å; A421-A425 PolarHBondContact O-N 3.47Å; L423-A425 VanDerWaalsContact C-N 3.28Å; L423-A425 PolarHBondContact O-N 3.45Å; A425-C427 VanDerWaalsContact C-N 3.35Å; A425-C427 PolarHBondContact O-N 2.9Å; A425-Y429 WeakPolarHBondContact O-CB 3.42Å; A425-Y429 PolarHBondContact O-N 3.49Å
426	K	84.6	Confident	84.1	Confident	68 Å²	68	21.4 Å²	21.4	30%	0.296	10%	0.104	S	C	.	.	H	α-helix	trans	-58	-45.5	175.2	-166.3	-171.3	-172	-166.8	0	111.5	D61 E63 K422 L423 T430 E488 R491	D61-K426 IonicContact OD2-NZ 3.21Å; E63-K426 WeakPolarHBondContact OE2-CE 3.4Å; E63-K426 IonicContact OE2-NZ 3.86Å; E63-K426 PolarHBondContact OE2-NZ 3.03Å; K422-K426 PolarHBondContact O-N 3.33Å; L423-K426 WeakPolarHBondContact O-CA 3.48Å; L423-K426 WeakPolarHBondContact O-CB 3.48Å; L423-K426 PolarHBondContact O-N 2.71Å; K426-T430 PolarHBondContact O-N 3.04Å; K426-T430 PolarHBondContact O-OG1 2.91Å; K426-E488 IonicContact NZ-OE1 3.5Å; K426-R491 VanDerWaalsContact CE-CZ 3.45Å
427	C	86.3	Confident	84.3	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.2	-47	-178.9	-68.4	0	0	0	0	112.3	L423 L424 A425 Y429 T430 L431 I461	L423-C427 WeakPolarHBondContact O-CB 3.24Å; L423-C427 PolarHBondContact O-N 2.76Å; L423-C427 PolarHBondContact O-SG 2.95Å; L423-C427 VanDerWaalsContact O-SG 3.36Å; L424-C427 PolarHBondContact O-N 2.92Å; A425-C427 VanDerWaalsContact C-N 3.35Å; A425-C427 PolarHBondContact O-N 2.9Å; C427-Y429 VanDerWaalsContact C-N 3.31Å; C427-Y429 PolarHBondContact O-N 3.38Å; C427-T430 PolarHBondContact O-N 3.06Å; C427-L431 WeakPolarHBondContact O-CB 3.49Å; C427-L431 PolarHBondContact O-N 3.36Å; C427-I461 HydrophobicContact CB-CD1 3.72Å; C427-I461 HydrophobicContact CB-CG1 3.7Å; C427-I461 WeakPolarHBondContact O-CD1 3.42Å
428	R	86.1	Confident	84.5	Confident	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-36.5	176.8	-173.3	178.4	-63.4	-78.5	-3.5	111.9	H382 E389 L424 L431 Q432 I461 E462 S465	H382-R428 HydrophobicContact CB-CG 4.48Å; H382-R428 WeakPolarHBondContact CE1-CG 3.35Å; H382-R428 PolarHBondContact CE1-NH1 3.49Å; H382-R428 PolarHBondContact ND1-NH1 3.46Å; E389-R428 IonicContact OE1-CZ 2.79Å; E389-R428 IonicContact OE1-NE 2.7Å; E389-R428 PolarHBondContact OE1-NE 3.05Å; E389-R428 IonicContact OE1-NH2 3.57Å; E389-R428 PolarHBondContact OE1-NH2 3.31Å; E389-R428 WeakPolarHBondContact OE2-CD 3.47Å; E389-R428 IonicContact OE2-CZ 2.62Å; E389-R428 IonicContact OE2-NE 3.14Å; E389-R428 PolarHBondContact OE2-NE 3.06Å; L424-R428 WeakPolarHBondContact O-CB 3.47Å; L424-R428 PolarHBondContact O-N 3.47Å; R428-L431 WeakPolarHBondContact O-CB 3.35Å; R428-L431 PolarHBondContact O-N 2.95Å; R428-Q432 PolarHBondContact O-N 3.36Å; R428-I461 HydrophobicContact CB-CG2 4.28Å; R428-E462 IonicContact CZ-OE1 3.55Å; R428-E462 IonicContact CZ-OE2 2.78Å; R428-E462 IonicContact NH1-OE1 3.47Å; R428-E462 PolarHBondContact NH1-OE1 2.67Å; R428-E462 IonicContact NH1-OE2 3.94Å; R428-E462 PolarHBondContact NH1-OE2 3.05Å; R428-E462 IonicContact NH2-OE1 2.71Å; R428-E462 IonicContact NH2-OE2 3.23Å; R428-E462 PolarHBondContact NH2-OE2 2.81Å; R428-S465 PolarHBondContact NH2-OG 2.89Å
429	Y	84	Confident	84.5	Confident	33 Å²	33	22 Å²	22	13%	0.129	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-53	172.6	-179.3	-100.4	0	0	0	111.5	M269 Y270 L386 A425 C427 L431 Q432 Y433	M269-Y429 HydrophobicContact CE-CE2 4.14Å; Y270-Y429 PolarHBondContact N-OH 3.3Å; Y270-Y429 WeakPolarHBondContact O-CE1 3.36Å; Y270-Y429 PolarHBondContact O-OH 2.83Å; L386-Y429 HydrophobicContact CD2-CD2 4.03Å; A425-Y429 WeakPolarHBondContact O-CB 3.42Å; A425-Y429 PolarHBondContact O-N 3.49Å; C427-Y429 VanDerWaalsContact C-N 3.31Å; C427-Y429 PolarHBondContact O-N 3.38Å; Y429-L431 PolarHBondContact O-N 3.02Å; Y429-Q432 WeakPolarHBondContact O-CB 3.41Å; Y429-Q432 PolarHBondContact O-N 2.67Å; Y429-Q432 VanDerWaalsContact O-N 3.12Å; Y429-Y433 HydrophobicContact CD1-CD2 4.46Å; Y429-Y433 HydrophobicContact CD1-CE2 4.38Å; Y429-Y433 AromaticContact CD2-CE2 3.97Å; Y429-Y433 HydrophobicContact CD2-CE2 3.97Å; Y429-Y433 HydrophobicContact CE1-CD2 4.47Å; Y429-Y433 HydrophobicContact CE1-CE2 4.14Å; Y429-Y433 AromaticContact CE2-CE2 3.72Å; Y429-Y433 HydrophobicContact CE2-CE2 3.72Å; Y429-Y433 HydrophobicContact CG-CE2 4.32Å; Y429-Y433 AromaticContact CZ-CE2 3.84Å; Y429-Y433 VanDerWaalsContact O-CD2 3.25Å; Y429-Y433 WeakPolarHBondContact O-CD2 3.43Å; Y429-Y433 PolarHBondContact O-N 2.95Å
430	T	84.9	Confident	84.4	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-55.9	-40.7	173	-60.9	0	0	0	0	111.6	K426 C427 Q432 Y433 T434 R491 L495	K426-T430 PolarHBondContact O-N 3.04Å; K426-T430 PolarHBondContact O-OG1 2.91Å; C427-T430 PolarHBondContact O-N 3.06Å; T430-Q432 PolarHBondContact O-N 3.17Å; T430-Y433 PolarHBondContact O-N 3.39Å; T430-T434 WeakPolarHBondContact O-CG2 3.2Å; T430-T434 PolarHBondContact O-N 2.77Å; T430-R491 HydrophobicContact CG2-CG 3.9Å; T430-R491 PolarHBondContact OG1-NH1 3.45Å; T430-L495 HydrophobicContact CG2-CD1 4.48Å; T430-L495 HydrophobicContact CG2-CD2 4.12Å; T430-L495 HydrophobicContact CG2-CG 4.34Å
431	L	85	Confident	84.3	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-40.8	177.2	-173	70.7	0	0	0	112.4	H382 C427 R428 Y429 Y433 T434 Y435 Q454 L457 E458 I461	H382-L431 WeakPolarHBondContact NE2-CD2 3.48Å; C427-L431 WeakPolarHBondContact O-CB 3.49Å; C427-L431 PolarHBondContact O-N 3.36Å; R428-L431 WeakPolarHBondContact O-CB 3.35Å; R428-L431 PolarHBondContact O-N 2.95Å; Y429-L431 PolarHBondContact O-N 3.02Å; L431-Y433 VanDerWaalsContact C-N 3.29Å; L431-Y433 PolarHBondContact O-N 3.47Å; L431-T434 WeakPolarHBondContact O-CB 3.35Å; L431-T434 PolarHBondContact O-N 3.18Å; L431-T434 PolarHBondContact O-OG1 2.84Å; L431-Y435 HydrophobicContact CD1-CE2 4.46Å; L431-Y435 HydrophobicContact CG-CE2 4.08Å; L431-Y435 VanDerWaalsContact O-CD2 3.26Å; L431-Y435 WeakPolarHBondContact O-CD2 3.48Å; L431-Y435 WeakPolarHBondContact O-CE2 3.47Å; L431-Q454 HydrophobicContact CD1-CG 4.11Å; L431-L457 HydrophobicContact CD1-CD2 4.43Å; L431-L457 HydrophobicContact CD1-CG 4.4Å; L431-E458 HydrophobicContact CD1-CB 4.23Å; L431-E458 HydrophobicContact CD2-CB 4.05Å; L431-E458 HydrophobicContact CD2-CG 4.12Å; L431-I461 HydrophobicContact CB-CD1 3.84Å; L431-I461 HydrophobicContact CD2-CD1 3.89Å; L431-I461 HydrophobicContact CG-CD1 4.33Å
432	Q	85.4	Confident	83.9	Confident	5 Å²	5	33 Å²	33	2%	0.023	15%	0.151	C	C	.	.	H	α-helix	trans	-52.6	-49	173.1	-175.5	-177.7	11.9	0	0	110.7	W379 H382 N383 R428 Y429 T430 T434 Y435 P436	W379-Q432 HydrophobicContact CD2-CG 3.87Å; W379-Q432 HydrophobicContact CE3-CG 3.65Å; W379-Q432 HydrophobicContact CH2-CG 4.22Å; W379-Q432 HydrophobicContact CZ2-CG 4.39Å; W379-Q432 HydrophobicContact CZ3-CG 3.84Å; W379-Q432 WeakPolarHBondContact CZ3-O 3.05Å; H382-Q432 HydrophobicContact CB-CB 4.34Å; N383-Q432 PolarHBondContact OD1-NE2 3.07Å; R428-Q432 PolarHBondContact O-N 3.36Å; Y429-Q432 WeakPolarHBondContact O-CB 3.41Å; Y429-Q432 PolarHBondContact O-N 2.67Å; Y429-Q432 VanDerWaalsContact O-N 3.12Å; T430-Q432 PolarHBondContact O-N 3.17Å; Q432-T434 VanDerWaalsContact C-N 3.26Å; Q432-T434 PolarHBondContact O-N 3.47Å; Q432-Y435 PolarHBondContact O-N 3.2Å; Q432-P436 WeakPolarHBondContact O-CD 3.42Å
433	Y	83.3	Confident	83.5	Confident	13 Å²	13	30.5 Å²	30.5	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-9.1	178.7	-67.2	-81.2	0	0	0	115.1	H271 A272 T274 I279 W379 Y429 T430 L431	H271-Y433 HydrophobicContact CB-CD1 3.32Å; H271-Y433 HydrophobicContact CB-CE1 3.3Å; H271-Y433 HydrophobicContact CB-CG 4.11Å; A272-Y433 WeakPolarHBondContact O-CB 3.2Å; T274-Y433 VanDerWaalsContact CG2-O 3.31Å; T274-Y433 WeakPolarHBondContact CG2-O 3.36Å; I279-Y433 HydrophobicContact CD1-CD1 4.06Å; I279-Y433 HydrophobicContact CD1-CE1 3.78Å; I279-Y433 HydrophobicContact CG1-CE1 4.23Å; W379-Y433 AromaticContact CH2-CD1 3.65Å; W379-Y433 HydrophobicContact CH2-CD1 3.65Å; W379-Y433 AromaticContact CH2-CE1 3.43Å; W379-Y433 HydrophobicContact CH2-CE1 3.43Å; W379-Y433 VanDerWaalsContact CH2-CE1 3.43Å; W379-Y433 HydrophobicContact CH2-CG 4.42Å; W379-Y433 AromaticContact CH2-CZ 3.96Å; W379-Y433 HydrophobicContact CZ2-CE1 4.41Å; W379-Y433 AromaticContact CZ3-CD1 3.84Å; W379-Y433 HydrophobicContact CZ3-CD1 3.84Å; W379-Y433 HydrophobicContact CZ3-CE1 4.1Å; W379-Y433 HydrophobicContact CZ3-CG 4.31Å; Y429-Y433 HydrophobicContact CD1-CD2 4.46Å; Y429-Y433 HydrophobicContact CD1-CE2 4.38Å; Y429-Y433 AromaticContact CD2-CE2 3.97Å; Y429-Y433 HydrophobicContact CD2-CE2 3.97Å; Y429-Y433 HydrophobicContact CE1-CD2 4.47Å; Y429-Y433 HydrophobicContact CE1-CE2 4.14Å; Y429-Y433 AromaticContact CE2-CE2 3.72Å; Y429-Y433 HydrophobicContact CE2-CE2 3.72Å; Y429-Y433 HydrophobicContact CG-CE2 4.32Å; Y429-Y433 AromaticContact CZ-CE2 3.84Å; Y429-Y433 VanDerWaalsContact O-CD2 3.25Å; Y429-Y433 WeakPolarHBondContact O-CD2 3.43Å; Y429-Y433 PolarHBondContact O-N 2.95Å; T430-Y433 PolarHBondContact O-N 3.39Å; L431-Y433 VanDerWaalsContact C-N 3.29Å; L431-Y433 PolarHBondContact O-N 3.47Å
434	T	85.3	Confident	83.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-27.7	170.8	65	0	0	0	0	113.4	P273 T430 L431 Q432 Y437 A438 F450 Q454 L494	P273-T434 HydrophobicContact CG-CG2 4.17Å; T430-T434 WeakPolarHBondContact O-CG2 3.2Å; T430-T434 PolarHBondContact O-N 2.77Å; L431-T434 WeakPolarHBondContact O-CB 3.35Å; L431-T434 PolarHBondContact O-N 3.18Å; L431-T434 PolarHBondContact O-OG1 2.84Å; Q432-T434 VanDerWaalsContact C-N 3.26Å; Q432-T434 PolarHBondContact O-N 3.47Å; T434-Y437 WeakPolarHBondContact O-CB 3.37Å; T434-Y437 PolarHBondContact O-N 2.71Å; T434-A438 PolarHBondContact O-N 3.49Å; T434-F450 HydrophobicContact CG2-CZ 3.93Å; T434-Q454 PolarHBondContact OG1-NE2 3.41Å; T434-L494 HydrophobicContact CG2-CD1 4.13Å; T434-L494 HydrophobicContact CG2-CD2 3.85Å
435	Y	84	Confident	82.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.2	-42.7	-171.3	-68	-77.6	0	0	0	115.3	Y374 K378 H382 L431 Q432 Y437 A438 Y439 Q454 E458	Y374-Y435 HydrophobicContact CD1-CD1 4.16Å; Y374-Y435 WeakPolarHBondContact CD1-O 3.35Å; K378-Y435 HydrophobicContact CB-CD1 3.61Å; K378-Y435 HydrophobicContact CB-CD2 4.1Å; K378-Y435 HydrophobicContact CB-CE1 3.71Å; K378-Y435 HydrophobicContact CB-CE2 4.19Å; K378-Y435 HydrophobicContact CB-CG 3.8Å; K378-Y435 HydrophobicContact CD-CD1 4.36Å; K378-Y435 HydrophobicContact CD-CE1 3.59Å; K378-Y435 HydrophobicContact CD-CE2 4.46Å; K378-Y435 HydrophobicContact CG-CD1 3.81Å; K378-Y435 HydrophobicContact CG-CE1 3.53Å; K378-Y435 HydrophobicContact CG-CG 4.5Å; K378-Y435 PolarHBondContact NZ-OH 2.85Å; H382-Y435 AromaticContact CD2-CE2 3.29Å; H382-Y435 WeakPolarHBondContact CD2-CE2 3.39Å; H382-Y435 AromaticContact CD2-CZ 3.91Å; L431-Y435 HydrophobicContact CD1-CE2 4.46Å; L431-Y435 HydrophobicContact CG-CE2 4.08Å; L431-Y435 VanDerWaalsContact O-CD2 3.26Å; L431-Y435 WeakPolarHBondContact O-CD2 3.48Å; L431-Y435 WeakPolarHBondContact O-CE2 3.47Å; Q432-Y435 PolarHBondContact O-N 3.2Å; Y435-Y437 VanDerWaalsContact C-N 3.25Å; Y435-Y437 PolarHBondContact O-N 3.47Å; Y435-A438 PolarHBondContact O-N 3.31Å; Y435-Y439 PolarHBondContact O-N 2.96Å; Y435-Q454 VanDerWaalsContact CD1-NE2 3.28Å; Y435-Q454 VanDerWaalsContact CE1-NE2 3.26Å; Y435-E458 PolarHBondContact OH-OE2 3.43Å; Y435-E458 VanDerWaalsContact OH-OE2 3.05Å
436	P	83.1	Confident	82.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-33.3	174.1	-18.6	32.2	0	0	0	111.1	T274 W282 W379 Q432 Y439 Y440	T274-P436 HydrophobicContact CG2-CB 4.23Å; W282-P436 HydrophobicContact CB-CB 4.23Å; W282-P436 HydrophobicContact CD2-CB 3.79Å; W282-P436 HydrophobicContact CD2-CG 3.89Å; W282-P436 HydrophobicContact CE3-CB 4.14Å; W282-P436 HydrophobicContact CG-CB 3.83Å; W282-P436 HydrophobicContact CG-CG 3.87Å; W282-P436 HydrophobicContact CZ2-CG 4.36Å; W379-P436 HydrophobicContact CD2-CG 4.44Å; W379-P436 HydrophobicContact CE3-CG 3.43Å; W379-P436 VanDerWaalsContact CE3-CG 3.43Å; W379-P436 HydrophobicContact CH2-CG 4.26Å; W379-P436 HydrophobicContact CZ3-CG 3.32Å; Q432-P436 WeakPolarHBondContact O-CD 3.42Å; P436-Y439 PolarHBondContact O-N 3.22Å; P436-Y440 VanDerWaalsContact O-CD2 3.31Å; P436-Y440 WeakPolarHBondContact O-CD2 3.35Å; P436-Y440 PolarHBondContact O-N 3.33Å
437	Y	82.8	Confident	82.6	Confident	43 Å²	43	37.5 Å²	37.5	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-48.3	173	-163.4	-113.8	0	0	0	110.9	T274 T434 Y435 Y439 M441 F450 F498	T274-Y437 HydrophobicContact CG2-CD2 4.26Å; T274-Y437 HydrophobicContact CG2-CG 4.44Å; T434-Y437 WeakPolarHBondContact O-CB 3.37Å; T434-Y437 PolarHBondContact O-N 2.71Å; Y435-Y437 VanDerWaalsContact C-N 3.25Å; Y435-Y437 PolarHBondContact O-N 3.47Å; Y437-Y439 PolarHBondContact O-N 2.9Å; Y437-M441 HydrophobicContact CD1-CE 3.56Å; Y437-M441 HydrophobicContact CE1-CE 3.16Å; Y437-M441 VanDerWaalsContact O-CB 3.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.43Å; Y437-M441 PolarHBondContact O-N 2.81Å; Y437-F450 HydrophobicContact CD1-CD2 4.17Å; Y437-F450 HydrophobicContact CD1-CE1 4.05Å; Y437-F450 AromaticContact CD1-CE2 3.65Å; Y437-F450 HydrophobicContact CD1-CE2 3.65Å; Y437-F450 AromaticContact CD1-CZ 3.57Å; Y437-F450 HydrophobicContact CD1-CZ 3.57Å; Y437-F450 HydrophobicContact CE1-CD2 4.2Å; Y437-F450 AromaticContact CE1-CE2 3.95Å; Y437-F450 HydrophobicContact CE1-CE2 3.95Å; Y437-F450 HydrophobicContact CE1-CZ 4.34Å; Y437-F450 HydrophobicContact CG-CZ 4.46Å; Y437-F498 HydrophobicContact CE1-CB 4.05Å; Y437-F498 AromaticContact CE1-CD1 3.88Å; Y437-F498 HydrophobicContact CE1-CD1 3.88Å; Y437-F498 HydrophobicContact CE1-CG 4.32Å; Y437-F498 PolarHBondContact OH-O 3.01Å
438	A	83.4	Confident	82.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-33.4	174.8	0	0	0	0	0	113.8	Y374 T434 Y435 K447 F450	Y374-A438 HydrophobicContact CD1-CB 4.45Å; Y374-A438 HydrophobicContact CE1-CB 3.7Å; T434-A438 PolarHBondContact O-N 3.49Å; Y435-A438 PolarHBondContact O-N 3.31Å; A438-K447 WeakPolarHBondContact O-CE 3.27Å; A438-K447 PolarHBondContact O-NZ 2.81Å; A438-F450 HydrophobicContact CB-CD1 4.19Å; A438-F450 HydrophobicContact CB-CE1 4.02Å
439	Y	82.3	Confident	82.3	Confident	37 Å²	37	48 Å²	48	15%	0.145	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-47.2	176.7	175.2	-89.9	0	0	0	112.1	W282 K370 Y371 Y374 Y435 P436 Y437	W282-Y439 HydrophobicContact CE3-CD1 4.27Å; W282-Y439 AromaticContact CZ3-CD1 3.86Å; W282-Y439 HydrophobicContact CZ3-CD1 3.86Å; W282-Y439 HydrophobicContact CZ3-CD2 4.09Å; W282-Y439 HydrophobicContact CZ3-CE1 4.27Å; W282-Y439 HydrophobicContact CZ3-CE2 4.47Å; W282-Y439 AromaticContact CZ3-CG 3.77Å; W282-Y439 HydrophobicContact CZ3-CG 3.77Å; K370-Y439 HydrophobicContact CD-CE2 4.46Å; K370-Y439 HydrophobicContact CG-CD2 4.23Å; K370-Y439 HydrophobicContact CG-CE2 4.07Å; Y371-Y439 HydrophobicContact CD2-CE2 4.42Å; Y374-Y439 AromaticContact CD2-CD2 3.71Å; Y374-Y439 HydrophobicContact CD2-CD2 3.71Å; Y374-Y439 HydrophobicContact CD2-CG 4.43Å; Y374-Y439 HydrophobicContact CE2-CD2 4.43Å; Y374-Y439 HydrophobicContact CG-CD2 4.08Å; Y435-Y439 PolarHBondContact O-N 2.96Å; P436-Y439 PolarHBondContact O-N 3.22Å; Y437-Y439 PolarHBondContact O-N 2.9Å
440	Y	81.4	Confident	82.4	Confident	84 Å²	84	46.5 Å²	46.5	33%	0.329	23%	0.232	S	C	.	.	H	α-helix	trans	-85.4	-11.4	-179.5	-70.6	-75.1	0	0	0	114.1	T278 W282 P436	T278-Y440 HydrophobicContact CG2-CD2 3.51Å; T278-Y440 HydrophobicContact CG2-CE2 4.18Å; T278-Y440 HydrophobicContact CG2-CG 4.15Å; W282-Y440 HydrophobicContact CB-CE2 4.27Å; W282-Y440 AromaticContact CE3-CE2 3.94Å; W282-Y440 HydrophobicContact CE3-CE2 3.94Å; P436-Y440 VanDerWaalsContact O-CD2 3.31Å; P436-Y440 WeakPolarHBondContact O-CD2 3.35Å; P436-Y440 PolarHBondContact O-N 3.33Å
441	M	81	Confident	82.3	Confident	33 Å²	33	47 Å²	47	16%	0.163	23%	0.234	C	C	.	.	S	Bend	trans	-72.9	131.9	174.8	-171.7	-177.4	-57.9	0	0	112.1	Y437 K447 F450 F498	Y437-M441 HydrophobicContact CD1-CE 3.56Å; Y437-M441 HydrophobicContact CE1-CE 3.16Å; Y437-M441 VanDerWaalsContact O-CB 3.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.43Å; Y437-M441 PolarHBondContact O-N 2.81Å; M441-K447 HydrophobicContact CB-CD 4.44Å; M441-K447 HydrophobicContact CG-CB 4.24Å; M441-K447 HydrophobicContact CG-CD 4.45Å; M441-K447 HydrophobicContact CG-CG 4.33Å; M441-K447 PolarHBondContact O-NZ 3.29Å; M441-K447 VanDerWaalsContact SD-CA 3.52Å; M441-K447 HydrophobicContact SD-CB 3.63Å; M441-K447 HydrophobicContact SD-CG 3.9Å; M441-F450 HydrophobicContact CE-CB 4.29Å; M441-F450 HydrophobicContact CE-CD2 4.48Å; M441-F450 HydrophobicContact CE-CG 4.18Å; M441-F498 HydrophobicContact CE-CD1 4.21Å; M441-F498 HydrophobicContact CE-CE1 4.21Å
442	E	76.9	Confident	82.3	Confident	176 Å²	176	52.6 Å²	52.6	82%	0.822	26%	0.256	S	S	*	.			trans	-60.1	142.3	174.1	-63.9	176.3	177.7	0	0	112.6	G444	E442-G444 PolarHBondContact O-N 2.87Å
443	S	75.3	Confident	82.2	Confident	80 Å²	80	53.3 Å²	53.3	56%	0.559	26%	0.26	S	S	*	.	S	Bend	trans	-74.3	95.8	-176.1	-65.6	0	0	0	0	111.6	E351	E351-S443 PolarHBondContact OE2-OG 2.84Å
444	G	79.3	Confident	82.3	Confident	27 Å²	27	52.7 Å²	52.7	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	-149.8	-176	-178.8	0	0	0	0	0	114.1	E442 R446 K447 K448	E442-G444 PolarHBondContact O-N 2.87Å; G444-R446 VanDerWaalsContact C-N 3.31Å; G444-R446 PolarHBondContact O-N 2.95Å; G444-K447 WeakPolarHBondContact O-CB 3.44Å; G444-K447 PolarHBondContact O-N 3.12Å; G444-K448 PolarHBondContact O-N 3.33Å
445	P	80.8	Confident	82.3	Confident	114 Å²	114	54.6 Å²	54.6	74%	0.74	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-36.1	-176.5	24.3	-33.6	0	0	0	112.9	K447 K448 L449	P445-K447 VanDerWaalsContact C-N 3.27Å; P445-K447 PolarHBondContact O-N 3.16Å; P445-K448 PolarHBondContact O-N 2.87Å; P445-L449 PolarHBondContact O-N 3.36Å; P445-L449 VanDerWaalsContact O-N 3.14Å
446	R	81.1	Confident	82.3	Confident	132 Å²	132	56.9 Å²	56.9	50%	0.498	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-31.3	174.4	-175.7	166.1	-165.4	141.3	5.5	112.7	G444 F450 D497 F498	G444-R446 VanDerWaalsContact C-N 3.31Å; G444-R446 PolarHBondContact O-N 2.95Å; R446-F450 PolarHBondContact O-N 2.85Å; R446-D497 PolarHBondContact NH2-O 3.19Å; R446-F498 HydrophobicContact CG-CE1 3.65Å; R446-F498 HydrophobicContact CG-CZ 4.24Å
447	K	82.8	Confident	82.4	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-42.1	174.5	-170.2	175.6	-173.3	163.9	0	111.9	A438 M441 G444 P445 L449 F450 E451	A438-K447 WeakPolarHBondContact O-CE 3.27Å; A438-K447 PolarHBondContact O-NZ 2.81Å; M441-K447 HydrophobicContact CB-CD 4.44Å; M441-K447 HydrophobicContact CG-CB 4.24Å; M441-K447 HydrophobicContact CG-CD 4.45Å; M441-K447 HydrophobicContact CG-CG 4.33Å; M441-K447 PolarHBondContact O-NZ 3.29Å; M441-K447 VanDerWaalsContact SD-CA 3.52Å; M441-K447 HydrophobicContact SD-CB 3.63Å; M441-K447 HydrophobicContact SD-CG 3.9Å; G444-K447 WeakPolarHBondContact O-CB 3.44Å; G444-K447 PolarHBondContact O-N 3.12Å; P445-K447 VanDerWaalsContact C-N 3.27Å; P445-K447 PolarHBondContact O-N 3.16Å; K447-L449 VanDerWaalsContact C-N 3.3Å; K447-L449 PolarHBondContact O-N 2.68Å; K447-F450 WeakPolarHBondContact O-CB 3.47Å; K447-F450 PolarHBondContact O-N 3.13Å; K447-F450 VanDerWaalsContact O-N 3.12Å; K447-E451 WeakPolarHBondContact CE-OE1 3.29Å; K447-E451 HydrophobicContact CG-CG 4.22Å; K447-E451 WeakPolarHBondContact O-CB 3.32Å; K447-E451 VanDerWaalsContact O-CG 3.31Å; K447-E451 WeakPolarHBondContact O-CG 3.34Å; K447-E451 PolarHBondContact O-N 3.12Å
448	K	82.3	Confident	82.6	Confident	135 Å²	135	55.4 Å²	55.4	59%	0.587	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-40.9	174.7	-62.4	-174.2	-179.1	-176	0	112	G444 P445 Y452	G444-K448 PolarHBondContact O-N 3.33Å; P445-K448 PolarHBondContact O-N 2.87Å; K448-Y452 WeakPolarHBondContact O-CB 3.32Å; K448-Y452 PolarHBondContact O-N 2.92Å
449	L	84.9	Confident	82.6	Confident	87 Å²	87	57 Å²	57	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-42	174.1	-178.9	61.5	0	0	0	112	P445 K447 Y452 Q453 F498	P445-L449 PolarHBondContact O-N 3.36Å; P445-L449 VanDerWaalsContact O-N 3.14Å; K447-L449 VanDerWaalsContact C-N 3.3Å; K447-L449 PolarHBondContact O-N 2.68Å; L449-Y452 PolarHBondContact O-N 3.08Å; L449-Q453 HydrophobicContact CD1-CG 4.49Å; L449-Q453 WeakPolarHBondContact O-CG 3.43Å; L449-Q453 PolarHBondContact O-N 3.26Å; L449-F498 HydrophobicContact CG-CZ 4.48Å
450	F	85	Confident	82.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-49.9	174.9	-171.8	-98.7	0	0	0	112.1	P273 T434 Y437 A438 M441 R446 K447 Y452 Q453 Q454 L494 F498	P273-F450 HydrophobicContact CG-CE2 4.46Å; P273-F450 HydrophobicContact CG-CZ 4.33Å; T434-F450 HydrophobicContact CG2-CZ 3.93Å; Y437-F450 HydrophobicContact CD1-CD2 4.17Å; Y437-F450 HydrophobicContact CD1-CE1 4.05Å; Y437-F450 AromaticContact CD1-CE2 3.65Å; Y437-F450 HydrophobicContact CD1-CE2 3.65Å; Y437-F450 AromaticContact CD1-CZ 3.57Å; Y437-F450 HydrophobicContact CD1-CZ 3.57Å; Y437-F450 HydrophobicContact CE1-CD2 4.2Å; Y437-F450 AromaticContact CE1-CE2 3.95Å; Y437-F450 HydrophobicContact CE1-CE2 3.95Å; Y437-F450 HydrophobicContact CE1-CZ 4.34Å; Y437-F450 HydrophobicContact CG-CZ 4.46Å; A438-F450 HydrophobicContact CB-CD1 4.19Å; A438-F450 HydrophobicContact CB-CE1 4.02Å; M441-F450 HydrophobicContact CE-CB 4.29Å; M441-F450 HydrophobicContact CE-CD2 4.48Å; M441-F450 HydrophobicContact CE-CG 4.18Å; R446-F450 PolarHBondContact O-N 2.85Å; K447-F450 WeakPolarHBondContact O-CB 3.47Å; K447-F450 PolarHBondContact O-N 3.13Å; K447-F450 VanDerWaalsContact O-N 3.12Å; F450-Y452 VanDerWaalsContact C-N 3.25Å; F450-Y452 PolarHBondContact O-N 3.23Å; F450-Q453 PolarHBondContact O-N 3.03Å; F450-Q454 HydrophobicContact CE1-CB 4.48Å; F450-Q454 WeakPolarHBondContact O-CB 3.46Å; F450-Q454 PolarHBondContact O-N 2.92Å; F450-L494 HydrophobicContact CE2-CD1 4.28Å; F450-L494 HydrophobicContact CE2-CD2 3.95Å; F450-L494 HydrophobicContact CE2-CG 4.1Å; F450-L494 HydrophobicContact CZ-CD2 4.41Å; F450-F498 HydrophobicContact CB-CD1 4.48Å; F450-F498 HydrophobicContact CB-CE1 3.74Å; F450-F498 HydrophobicContact CB-CE2 4.32Å; F450-F498 HydrophobicContact CB-CZ 3.66Å; F450-F498 HydrophobicContact CD2-CB 4.33Å; F450-F498 AromaticContact CD2-CD1 3.61Å; F450-F498 HydrophobicContact CD2-CD1 3.61Å; F450-F498 AromaticContact CD2-CD2 3.68Å; F450-F498 HydrophobicContact CD2-CD2 3.68Å; F450-F498 AromaticContact CD2-CE1 3.7Å; F450-F498 HydrophobicContact CD2-CE1 3.7Å; F450-F498 AromaticContact CD2-CE2 3.81Å; F450-F498 HydrophobicContact CD2-CE2 3.81Å; F450-F498 AromaticContact CD2-CG 3.59Å; F450-F498 HydrophobicContact CD2-CG 3.59Å; F450-F498 AromaticContact CD2-CZ 3.82Å; F450-F498 HydrophobicContact CD2-CZ 3.82Å; F450-F498 HydrophobicContact CE2-CB 4.26Å; F450-F498 HydrophobicContact CE2-CD1 4.31Å; F450-F498 HydrophobicContact CE2-CD2 4.23Å; F450-F498 HydrophobicContact CE2-CG 4.01Å; F450-F498 HydrophobicContact CG-CD1 4.42Å; F450-F498 HydrophobicContact CG-CE1 4.14Å; F450-F498 HydrophobicContact CG-CZ 4.26Å
451	E	83.6	Confident	83.1	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-34.7	179.7	-70.6	171.6	159.3	0	0	111.8	R348 K447 A455	R348-E451 IonicContact CZ-OE2 3.66Å; R348-E451 IonicContact NE-OE2 3.4Å; R348-E451 PolarHBondContact NE-OE2 3.36Å; R348-E451 IonicContact NH2-OE2 3.74Å; K447-E451 WeakPolarHBondContact CE-OE1 3.29Å; K447-E451 HydrophobicContact CG-CG 4.22Å; K447-E451 WeakPolarHBondContact O-CB 3.32Å; K447-E451 VanDerWaalsContact O-CG 3.31Å; K447-E451 WeakPolarHBondContact O-CG 3.34Å; K447-E451 PolarHBondContact O-N 3.12Å; E451-A455 VanDerWaalsContact O-CB 3.31Å; E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 2.74Å
452	Y	84.1	Confident	83.3	Confident	118 Å²	118	52 Å²	52	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-49.8	173.6	179.5	-100.9	0	0	0	112.8	K448 L449 F450 Q454 A455 Q456	K448-Y452 WeakPolarHBondContact O-CB 3.32Å; K448-Y452 PolarHBondContact O-N 2.92Å; L449-Y452 PolarHBondContact O-N 3.08Å; F450-Y452 VanDerWaalsContact C-N 3.25Å; F450-Y452 PolarHBondContact O-N 3.23Å; Y452-Q454 VanDerWaalsContact C-N 3.3Å; Y452-Q454 PolarHBondContact O-N 3.37Å; Y452-A455 PolarHBondContact O-N 3.23Å; Y452-Q456 VanDerWaalsContact CE1-NE2 3.3Å; Y452-Q456 VanDerWaalsContact CZ-NE2 3.26Å; Y452-Q456 PolarHBondContact O-N 3.48Å; Y452-Q456 PolarHBondContact OH-NE2 2.83Å; Y452-Q456 VanDerWaalsContact OH-NE2 3.12Å
453	Q	84.1	Confident	83.7	Confident	21 Å²	21	46.5 Å²	46.5	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-37.5	176.3	-71.8	-175.9	-5.3	0	0	112.1	L449 F450 Q456 L457 L494 D497	L449-Q453 HydrophobicContact CD1-CG 4.49Å; L449-Q453 WeakPolarHBondContact O-CG 3.43Å; L449-Q453 PolarHBondContact O-N 3.26Å; F450-Q453 PolarHBondContact O-N 3.03Å; Q453-Q456 PolarHBondContact O-N 3.42Å; Q453-L457 WeakPolarHBondContact O-CB 3.26Å; Q453-L457 PolarHBondContact O-N 3.06Å; Q453-L494 HydrophobicContact CB-CD1 4.23Å; Q453-D497 PolarHBondContact NE2-OD2 2.91Å
454	Q	85.8	Confident	84.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174.2	-175.8	-173.2	33.6	0	0	111.2	L431 T434 Y435 F450 Y452 L457 E458 L494	L431-Q454 HydrophobicContact CD1-CG 4.11Å; T434-Q454 PolarHBondContact OG1-NE2 3.41Å; Y435-Q454 VanDerWaalsContact CD1-NE2 3.28Å; Y435-Q454 VanDerWaalsContact CE1-NE2 3.26Å; F450-Q454 HydrophobicContact CE1-CB 4.48Å; F450-Q454 WeakPolarHBondContact O-CB 3.46Å; F450-Q454 PolarHBondContact O-N 2.92Å; Y452-Q454 VanDerWaalsContact C-N 3.3Å; Y452-Q454 PolarHBondContact O-N 3.37Å; Q454-L457 PolarHBondContact O-N 3.39Å; Q454-E458 VanDerWaalsContact O-CB 3.32Å; Q454-E458 WeakPolarHBondContact O-CB 3.42Å; Q454-E458 PolarHBondContact O-N 3.48Å; Q454-L494 HydrophobicContact CB-CD1 4.4Å
455	A	83.8	Confident	84.6	Confident	39 Å²	39	41.4 Å²	41.4	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-64.9	-37.6	177.1	0	0	0	0	0	112.7	E451 Y452 A459	E451-A455 VanDerWaalsContact O-CB 3.31Å; E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 2.74Å; Y452-A455 PolarHBondContact O-N 3.23Å; A455-A459 PolarHBondContact O-N 2.97Å
456	Q	84.3	Confident	84.7	Confident	48 Å²	48	40.3 Å²	40.3	22%	0.224	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-50.7	172	-72.5	-174.8	-18.8	0	0	111.3	Y452 Q453 E458 A459 E460	Y452-Q456 VanDerWaalsContact CE1-NE2 3.3Å; Y452-Q456 VanDerWaalsContact CZ-NE2 3.26Å; Y452-Q456 PolarHBondContact O-N 3.48Å; Y452-Q456 PolarHBondContact OH-NE2 2.83Å; Y452-Q456 VanDerWaalsContact OH-NE2 3.12Å; Q453-Q456 PolarHBondContact O-N 3.42Å; Q456-E458 VanDerWaalsContact C-N 3.31Å; Q456-E458 PolarHBondContact O-N 3.08Å; Q456-A459 PolarHBondContact O-N 3.07Å; Q456-E460 WeakPolarHBondContact O-CG 3.31Å; Q456-E460 PolarHBondContact O-N 3.39Å
457	L	86.4	Confident	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-39.8	178.9	-179.3	59.4	0	0	0	111.9	L431 Q453 Q454 I461 R490 R491 L494	L431-L457 HydrophobicContact CD1-CD2 4.43Å; L431-L457 HydrophobicContact CD1-CG 4.4Å; Q453-L457 WeakPolarHBondContact O-CB 3.26Å; Q453-L457 PolarHBondContact O-N 3.06Å; Q454-L457 PolarHBondContact O-N 3.39Å; L457-I461 HydrophobicContact CD1-CD1 3.77Å; L457-I461 HydrophobicContact CD1-CG1 4.16Å; L457-I461 HydrophobicContact CD2-CD1 4.5Å; L457-I461 HydrophobicContact CG-CD1 3.71Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CD1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.5Å; L457-I461 PolarHBondContact O-N 2.74Å; L457-R490 HydrophobicContact CB-CB 4.47Å; L457-R490 HydrophobicContact CD1-CB 3.97Å; L457-R491 HydrophobicContact CD1-CB 4.1Å; L457-R491 HydrophobicContact CD2-CB 4.47Å; L457-L494 HydrophobicContact CD2-CD1 4.11Å
458	E	86.3	Confident	84.8	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-47.7	173.6	-175.5	177.6	173.2	0	0	111.7	M331 K378 H382 L431 Y435 Q454 Q456 I461 E462	M331-E458 WeakPolarHBondContact CE-OE1 3.36Å; K378-E458 IonicContact NZ-OE1 3.69Å; K378-E458 PolarHBondContact NZ-OE1 3.27Å; K378-E458 IonicContact NZ-OE2 3.79Å; K378-E458 PolarHBondContact NZ-OE2 3.14Å; H382-E458 IonicContact NE2-OE1 3.85Å; L431-E458 HydrophobicContact CD1-CB 4.23Å; L431-E458 HydrophobicContact CD2-CB 4.05Å; L431-E458 HydrophobicContact CD2-CG 4.12Å; Y435-E458 PolarHBondContact OH-OE2 3.43Å; Y435-E458 VanDerWaalsContact OH-OE2 3.05Å; Q454-E458 VanDerWaalsContact O-CB 3.32Å; Q454-E458 WeakPolarHBondContact O-CB 3.42Å; Q454-E458 PolarHBondContact O-N 3.48Å; Q456-E458 VanDerWaalsContact C-N 3.31Å; Q456-E458 PolarHBondContact O-N 3.08Å; E458-I461 PolarHBondContact O-N 2.92Å; E458-E462 WeakPolarHBondContact O-CG 3.39Å; E458-E462 PolarHBondContact O-N 3.48Å
459	A	84.6	Confident	84.7	Confident	34 Å²	34	32.9 Å²	32.9	28%	0.281	16%	0.162	S	C	.	.	H	α-helix	trans	-62.5	-44.5	179.3	0	0	0	0	0	112.9	A455 Q456 I461 E462 N463	A455-A459 PolarHBondContact O-N 2.97Å; Q456-A459 PolarHBondContact O-N 3.07Å; A459-I461 VanDerWaalsContact C-N 3.35Å; A459-I461 PolarHBondContact O-N 3.3Å; A459-E462 PolarHBondContact O-N 2.96Å; A459-N463 WeakPolarHBondContact O-CB 3.47Å; A459-N463 PolarHBondContact O-N 3.26Å
460	E	86.3	Confident	84.2	Confident	47 Å²	47	34.4 Å²	34.4	22%	0.22	16%	0.162	C	C	.	.	H	α-helix	trans	-69.4	-31.9	179.6	-57.9	-63.4	-179.2	0	0	112.6	Q456 L464 Q483 I486 A487 R490	Q456-E460 WeakPolarHBondContact O-CG 3.31Å; Q456-E460 PolarHBondContact O-N 3.39Å; E460-L464 WeakPolarHBondContact O-CB 3.34Å; E460-L464 PolarHBondContact O-N 3.37Å; E460-Q483 PolarHBondContact O-NE2 2.87Å; E460-Q483 PolarHBondContact OE2-NE2 3.19Å; E460-I486 HydrophobicContact CG-CG2 3.92Å; E460-A487 HydrophobicContact CB-CB 4.49Å; E460-R490 HydrophobicContact CG-CG 4.45Å
461	I	87.1	Confident	83.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-46.9	174.1	-76.2	166	0	0	0	111.3	L424 C427 R428 L431 L457 E458 A459 N463 L464 S465	L424-I461 HydrophobicContact CD1-CG2 4.06Å; C427-I461 HydrophobicContact CB-CD1 3.72Å; C427-I461 HydrophobicContact CB-CG1 3.7Å; C427-I461 WeakPolarHBondContact O-CD1 3.42Å; R428-I461 HydrophobicContact CB-CG2 4.28Å; L431-I461 HydrophobicContact CB-CD1 3.84Å; L431-I461 HydrophobicContact CD2-CD1 3.89Å; L431-I461 HydrophobicContact CG-CD1 4.33Å; L457-I461 HydrophobicContact CD1-CD1 3.77Å; L457-I461 HydrophobicContact CD1-CG1 4.16Å; L457-I461 HydrophobicContact CD2-CD1 4.5Å; L457-I461 HydrophobicContact CG-CD1 3.71Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CD1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.5Å; L457-I461 PolarHBondContact O-N 2.74Å; E458-I461 PolarHBondContact O-N 2.92Å; A459-I461 VanDerWaalsContact C-N 3.35Å; A459-I461 PolarHBondContact O-N 3.3Å; I461-N463 VanDerWaalsContact C-N 3.33Å; I461-N463 PolarHBondContact O-N 3.25Å; I461-L464 PolarHBondContact O-N 2.95Å; I461-S465 WeakPolarHBondContact O-CB 3.21Å; I461-S465 PolarHBondContact O-N 3.08Å
462	E	85.9	Confident	82.3	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-70.3	-31.9	-179.7	-58.7	-57.4	169.2	0	0	111.9	C316 N317 W336 H382 R428 E458 A459 S465 W466	C316-E462 WeakPolarHBondContact CA-OE2 3.34Å; C316-E462 PolarHBondContact SG-O 3.45Å; N317-E462 HydrophobicContact CB-CG 4.33Å; N317-E462 PolarHBondContact N-OE2 3.09Å; N317-E462 PolarHBondContact ND2-OE1 2.88Å; W336-E462 HydrophobicContact CH2-CB 3.81Å; W336-E462 HydrophobicContact CH2-CG 4.19Å; W336-E462 HydrophobicContact CZ2-CB 4.13Å; H382-E462 IonicContact CE1-OE1 2.77Å; H382-E462 IonicContact NE2-OE1 3.49Å; H382-E462 PolarHBondContact NE2-OE1 2.89Å; R428-E462 IonicContact CZ-OE1 3.55Å; R428-E462 IonicContact CZ-OE2 2.78Å; R428-E462 IonicContact NH1-OE1 3.47Å; R428-E462 PolarHBondContact NH1-OE1 2.67Å; R428-E462 IonicContact NH1-OE2 3.94Å; R428-E462 PolarHBondContact NH1-OE2 3.05Å; R428-E462 IonicContact NH2-OE1 2.71Å; R428-E462 IonicContact NH2-OE2 3.23Å; R428-E462 PolarHBondContact NH2-OE2 2.81Å; E458-E462 WeakPolarHBondContact O-CG 3.39Å; E458-E462 PolarHBondContact O-N 3.48Å; A459-E462 PolarHBondContact O-N 2.96Å; E462-S465 PolarHBondContact O-N 3.48Å; E462-W466 WeakPolarHBondContact O-CB 3.34Å; E462-W466 PolarHBondContact O-N 3.4Å
463	N	84.6	Confident	80.9	Confident	59 Å²	59	35.1 Å²	35.1	32%	0.316	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-45.9	170	-174.2	6.1	0	0	0	111.6	A459 I461 W466 K467 Q483	A459-N463 WeakPolarHBondContact O-CB 3.47Å; A459-N463 PolarHBondContact O-N 3.26Å; I461-N463 VanDerWaalsContact C-N 3.33Å; I461-N463 PolarHBondContact O-N 3.25Å; N463-W466 PolarHBondContact O-N 3.1Å; N463-K467 WeakPolarHBondContact O-CG 3.4Å; N463-K467 PolarHBondContact O-N 2.96Å; N463-Q483 PolarHBondContact ND2-NE2 2.84Å; N463-Q483 PolarHBondContact ND2-OE1 3.09Å
464	L	85.8	Confident	79.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-46.1	173.4	-177.5	61.7	0	0	0	111.7	L424 E460 I461 W466 K467 V468 L480 Q483 M484 A487	L424-L464 HydrophobicContact CB-CD2 3.94Å; L424-L464 HydrophobicContact CB-CG 4.29Å; L424-L464 HydrophobicContact CD1-CB 4.29Å; L424-L464 HydrophobicContact CD1-CD2 4.17Å; L424-L464 HydrophobicContact CD1-CG 4.17Å; E460-L464 WeakPolarHBondContact O-CB 3.34Å; E460-L464 PolarHBondContact O-N 3.37Å; I461-L464 PolarHBondContact O-N 2.95Å; L464-W466 PolarHBondContact O-N 2.96Å; L464-K467 PolarHBondContact O-N 3.47Å; L464-V468 HydrophobicContact CD1-CG2 4.28Å; L464-V468 HydrophobicContact CG-CG2 4.49Å; L464-V468 WeakPolarHBondContact O-CG2 3.35Å; L464-V468 PolarHBondContact O-N 3.33Å; L464-L480 HydrophobicContact CD1-CD1 3.65Å; L464-L480 HydrophobicContact CD1-CG 4.46Å; L464-Q483 HydrophobicContact CB-CG 3.85Å; L464-Q483 HydrophobicContact CD1-CB 4.12Å; L464-Q483 HydrophobicContact CD1-CG 3.89Å; L464-Q483 HydrophobicContact CG-CG 4.45Å; L464-M484 HydrophobicContact CD1-CG 3.94Å; L464-A487 HydrophobicContact CD2-CB 4.27Å
465	S	86.6	Confident	77.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-48.4	177.4	-165.1	0	0	0	0	111.5	C316 E389 R428 I461 E462 K467 V468 E469	C316-S465 PolarHBondContact N-OG 2.8Å; E389-S465 WeakPolarHBondContact OE1-CB 3.38Å; E389-S465 PolarHBondContact OE1-OG 3.22Å; R428-S465 PolarHBondContact NH2-OG 2.89Å; I461-S465 WeakPolarHBondContact O-CB 3.21Å; I461-S465 PolarHBondContact O-N 3.08Å; E462-S465 PolarHBondContact O-N 3.48Å; S465-K467 PolarHBondContact O-N 2.98Å; S465-V468 PolarHBondContact O-N 3.2Å; S465-E469 WeakPolarHBondContact O-CB 3.43Å; S465-E469 WeakPolarHBondContact O-CG 3.2Å; S465-E469 PolarHBondContact O-N 3.4Å
466	W	83.4	Confident	76.6	Confident	92 Å²	92	51.5 Å²	51.5	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-38.4	176.8	-173.7	90.1	0	0	0	113	H318 E462 N463 L464 R470	H318-W466 AromaticContact CE1-CD1 3.88Å; H318-W466 AromaticContact CE1-NE1 3.6Å; H318-W466 AromaticContact ND1-CD1 3.15Å; H318-W466 AromaticContact ND1-CG 3.78Å; H318-W466 AromaticContact ND1-NE1 3.37Å; H318-W466 PolarHBondContact ND1-NE1 3Å; E462-W466 WeakPolarHBondContact O-CB 3.34Å; E462-W466 PolarHBondContact O-N 3.4Å; N463-W466 PolarHBondContact O-N 3.1Å; L464-W466 PolarHBondContact O-N 2.96Å; W466-R470 WeakPolarHBondContact O-CB 3.29Å; W466-R470 VanDerWaalsContact O-CD 3.29Å; W466-R470 WeakPolarHBondContact O-CD 3.45Å; W466-R470 WeakPolarHBondContact O-CG 3.38Å
467	K	83.4	Confident	75.5	Confident	47 Å²	47	49.7 Å²	49.7	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-46.2	174.5	-74.2	177.2	174.6	-179.8	0	111.4	N463 L464 S465 R470 A471 D479 L480 Q483	N463-K467 WeakPolarHBondContact O-CG 3.4Å; N463-K467 PolarHBondContact O-N 2.96Å; L464-K467 PolarHBondContact O-N 3.47Å; S465-K467 PolarHBondContact O-N 2.98Å; K467-R470 PolarHBondContact O-N 3.34Å; K467-A471 WeakPolarHBondContact O-CB 3.4Å; K467-A471 PolarHBondContact O-N 3.31Å; K467-D479 PolarHBondContact NZ-O 3.48Å; K467-L480 HydrophobicContact CB-CD1 3.68Å; K467-L480 HydrophobicContact CD-CD1 4.34Å; K467-Q483 HydrophobicContact CD-CB 4.16Å; K467-Q483 HydrophobicContact CD-CG 4.08Å
468	V	82.6	Confident	74.7	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-46.5	-179.8	171.4	0	0	0	0	111.9	I396 L417 A420 A421 L424 L464 S465 R470 A471 L480	I396-V468 HydrophobicContact CD1-CG1 3.63Å; L417-V468 HydrophobicContact CD1-CG1 4.37Å; A420-V468 HydrophobicContact CB-CG2 3.91Å; A421-V468 HydrophobicContact CB-CG1 4.23Å; L424-V468 HydrophobicContact CD2-CB 4.3Å; L424-V468 HydrophobicContact CD2-CG1 4.48Å; L424-V468 HydrophobicContact CD2-CG2 4.33Å; L464-V468 HydrophobicContact CD1-CG2 4.28Å; L464-V468 HydrophobicContact CG-CG2 4.49Å; L464-V468 WeakPolarHBondContact O-CG2 3.35Å; L464-V468 PolarHBondContact O-N 3.33Å; S465-V468 PolarHBondContact O-N 3.2Å; V468-R470 PolarHBondContact O-N 3.04Å; V468-A471 PolarHBondContact O-N 3.36Å; V468-L480 HydrophobicContact CG2-CD1 3.94Å; V468-L480 HydrophobicContact CG2-CD2 4.48Å
469	E	79.5	Confident	74	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.304	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.5	179.6	-74.1	-177.9	164.1	0	0	113.9	G314 G315 C316 T392 S465	G314-E469 WeakPolarHBondContact CA-OE1 3.5Å; G315-E469 PolarHBondContact N-OE1 3.34Å; C316-E469 VanDerWaalsContact CB-OE2 3.31Å; C316-E469 WeakPolarHBondContact CB-OE2 3.37Å; C316-E469 PolarHBondContact N-OE1 2.7Å; T392-E469 HydrophobicContact CG2-CG 4.35Å; S465-E469 WeakPolarHBondContact O-CB 3.43Å; S465-E469 WeakPolarHBondContact O-CG 3.2Å; S465-E469 PolarHBondContact O-N 3.4Å
470	R	75.9	Confident	73.7	Confident	119 Å²	119	57.2 Å²	57.2	45%	0.449	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	13.2	-172.2	-60	167.9	63.6	84.8	-2.5	113.1	W466 K467 V468 D472 R476	W466-R470 WeakPolarHBondContact O-CB 3.29Å; W466-R470 VanDerWaalsContact O-CD 3.29Å; W466-R470 WeakPolarHBondContact O-CD 3.45Å; W466-R470 WeakPolarHBondContact O-CG 3.38Å; K467-R470 PolarHBondContact O-N 3.34Å; V468-R470 PolarHBondContact O-N 3.04Å; R470-D472 PolarHBondContact O-N 3.44Å; R470-R476 PolarHBondContact O-NH1 2.9Å
471	A	69.3	Low	73.4	Confident	17 Å²	17	59.6 Å²	59.6	14%	0.14	29%	0.286	C	S	.	.			trans	-85.8	92.7	-177.6	0	0	0	0	0	111.8	L417 K467 V468	L417-A471 HydrophobicContact CD1-CB 3.82Å; K467-A471 WeakPolarHBondContact O-CB 3.4Å; K467-A471 PolarHBondContact O-N 3.31Å; V468-A471 PolarHBondContact O-N 3.36Å
472	D	59	Low	73.2	Confident	85 Å²	85	64 Å²	64	46%	0.455	31%	0.309	S	S	.	.			trans	-104.8	-12	-179.7	-66.4	-63.8	0	0	0	114.8	K399 R403 R470	K399-D472 IonicContact NZ-OD1 2.76Å; K399-D472 PolarHBondContact NZ-OD1 3.05Å; K399-D472 VanDerWaalsContact NZ-OD1 3.09Å; R403-D472 PolarHBondContact NH1-O 3.01Å; R403-D472 PolarHBondContact NH2-O 3.42Å; R470-D472 PolarHBondContact O-N 3.44Å
473	S	55.3	Low	73.1	Confident	44 Å²	44	64.3 Å²	64.3	31%	0.308	31%	0.311	S	S	.	.	S	Bend	trans	-141.5	156.8	-174.3	63.3	0	0	0	0	115	E475	S473-E475 PolarHBondContact O-N 3.35Å
474	Y	51.9	Low	73.1	Confident	107 Å²	107	62.9 Å²	62.9	42%	0.42	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59	-34.2	-174	-82.6	-98.6	0	0	0	115.4	L408 D413 W414 R476 G477	L408-Y474 PolarHBondContact O-OH 3.42Å; D413-Y474 HydrophobicContact CB-CE1 3.86Å; W414-Y474 AromaticContact CH2-CD2 3.87Å; W414-Y474 HydrophobicContact CH2-CD2 3.87Å; W414-Y474 AromaticContact CH2-CE2 3.56Å; W414-Y474 HydrophobicContact CH2-CE2 3.56Å; W414-Y474 HydrophobicContact CZ2-CD2 4.17Å; W414-Y474 AromaticContact CZ2-CE2 3.38Å; W414-Y474 HydrophobicContact CZ2-CE2 3.38Å; W414-Y474 AromaticContact CZ2-CZ 3.65Å; Y474-R476 PolarHBondContact O-N 3.46Å; Y474-G477 PolarHBondContact O-N 3.14Å; Y474-G477 VanDerWaalsContact O-N 3.16Å
475	E	51.9	Low	73	Confident	184 Å²	184	68.8 Å²	68.8	86%	0.86	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.3	-11.5	-171.2	-63.1	177.4	129.1	0	0	114.8	S473	S473-E475 PolarHBondContact O-N 3.35Å
476	R	57.9	Low	72.9	Confident	112 Å²	112	71.7 Å²	71.7	42%	0.423	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-100.6	4.5	-178	-55.5	-168.2	-159.8	147	15.6	114.9	R470 Y474 D479 L480	R470-R476 PolarHBondContact O-NH1 2.9Å; Y474-R476 PolarHBondContact O-N 3.46Å; R476-D479 PolarHBondContact O-N 2.81Å; R476-L480 WeakPolarHBondContact O-CB 3.48Å; R476-L480 PolarHBondContact O-N 2.84Å
477	G	62.9	Low	73	Confident	10 Å²	10	67.3 Å²	67.3	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-53.3	-58.6	-179.8	0	0	0	0	0	112.8	Y474 D479 L480 E481	Y474-G477 PolarHBondContact O-N 3.14Å; Y474-G477 VanDerWaalsContact O-N 3.16Å; G477-D479 VanDerWaalsContact C-N 3.33Å; G477-D479 PolarHBondContact O-N 2.89Å; G477-L480 WeakPolarHBondContact O-CA 3.47Å; G477-L480 WeakPolarHBondContact O-CB 3.37Å; G477-L480 PolarHBondContact O-N 3.11Å; G477-E481 WeakPolarHBondContact O-CG 3.47Å; G477-E481 PolarHBondContact O-N 2.92Å
478	V	67.8	Low	73.1	Confident	99 Å²	99	66.3 Å²	66.3	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-60	-39.8	-178.5	-177.2	0	0	0	0	112.5	L480 E481 N482	V478-L480 VanDerWaalsContact C-N 3.25Å; V478-L480 PolarHBondContact O-N 2.84Å; V478-E481 PolarHBondContact O-N 3.23Å; V478-N482 WeakPolarHBondContact O-CB 3.37Å; V478-N482 PolarHBondContact O-N 3.06Å; V478-N482 PolarHBondContact O-ND2 2.9Å
479	D	73.4	Confident	73.3	Confident	102 Å²	102	71 Å²	71	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-70.3	-19.6	176.7	-96.1	3.2	0	0	0	113.7	K467 R476 G477	K467-D479 PolarHBondContact NZ-O 3.48Å; R476-D479 PolarHBondContact O-N 2.81Å; G477-D479 VanDerWaalsContact C-N 3.33Å; G477-D479 PolarHBondContact O-N 2.89Å
480	L	78.1	Confident	73.6	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-88	-43.1	174.1	-168.3	66	0	0	0	111	Y416 L417 A420 L464 K467 V468 R476 G477 V478 Q483 M484	Y416-L480 HydrophobicContact CD2-CD2 3.98Å; Y416-L480 HydrophobicContact CE2-CD2 4.02Å; L417-L480 HydrophobicContact CD1-CD2 3.91Å; A420-L480 HydrophobicContact CB-CD1 4.34Å; A420-L480 HydrophobicContact CB-CD2 3.58Å; A420-L480 HydrophobicContact CB-CG 3.87Å; L464-L480 HydrophobicContact CD1-CD1 3.65Å; L464-L480 HydrophobicContact CD1-CG 4.46Å; K467-L480 HydrophobicContact CB-CD1 3.68Å; K467-L480 HydrophobicContact CD-CD1 4.34Å; V468-L480 HydrophobicContact CG2-CD1 3.94Å; V468-L480 HydrophobicContact CG2-CD2 4.48Å; R476-L480 WeakPolarHBondContact O-CB 3.48Å; R476-L480 PolarHBondContact O-N 2.84Å; G477-L480 WeakPolarHBondContact O-CA 3.47Å; G477-L480 WeakPolarHBondContact O-CB 3.37Å; G477-L480 PolarHBondContact O-N 3.11Å; V478-L480 VanDerWaalsContact C-N 3.25Å; V478-L480 PolarHBondContact O-N 2.84Å; L480-Q483 CarbonylContact O-C 3.43Å; L480-Q483 WeakPolarHBondContact O-CA 3.28Å; L480-Q483 VanDerWaalsContact O-CB 3.31Å; L480-Q483 WeakPolarHBondContact O-CB 3.31Å; L480-Q483 PolarHBondContact O-N 3.4Å; L480-Q483 VanDerWaalsContact O-N 3.11Å; L480-M484 HydrophobicContact CG-SD 4.49Å; L480-M484 VanDerWaalsContact O-CG 3.28Å; L480-M484 WeakPolarHBondContact O-CG 3.41Å; L480-M484 PolarHBondContact O-N 3.47Å
481	E	79.9	Confident	74	Confident	98 Å²	98	67 Å²	67	46%	0.458	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177	-70	177.9	157.6	0	0	112.3	Y416 G477 V478 Q483 M484 H485	Y416-E481 WeakPolarHBondContact CB-OE1 3.39Å; G477-E481 WeakPolarHBondContact O-CG 3.47Å; G477-E481 PolarHBondContact O-N 2.92Å; V478-E481 PolarHBondContact O-N 3.23Å; E481-Q483 VanDerWaalsContact C-N 3.29Å; E481-Q483 PolarHBondContact O-N 2.99Å; E481-M484 WeakPolarHBondContact O-CB 3.35Å; E481-M484 PolarHBondContact O-N 3.06Å; E481-H485 PolarHBondContact O-N 3.45Å
482	N	83.1	Confident	74.7	Confident	91 Å²	91	69.1 Å²	69.1	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-40.9	170.5	-77.9	-45.3	0	0	0	111.7	V478 H485 I486	V478-N482 WeakPolarHBondContact O-CB 3.37Å; V478-N482 PolarHBondContact O-N 3.06Å; V478-N482 PolarHBondContact O-ND2 2.9Å; N482-H485 PolarHBondContact O-N 3.24Å; N482-I486 WeakPolarHBondContact O-CD1 3.47Å; N482-I486 VanDerWaalsContact O-CG1 3.25Å; N482-I486 WeakPolarHBondContact O-CG1 3.46Å; N482-I486 PolarHBondContact O-N 2.99Å
483	Q	82.7	Confident	75.9	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-40.7	176.6	-166.9	69.3	42.2	0	0	111.9	E460 N463 L464 K467 L480 E481 I486 A487	E460-Q483 PolarHBondContact O-NE2 2.87Å; E460-Q483 PolarHBondContact OE2-NE2 3.19Å; N463-Q483 PolarHBondContact ND2-NE2 2.84Å; N463-Q483 PolarHBondContact ND2-OE1 3.09Å; L464-Q483 HydrophobicContact CB-CG 3.85Å; L464-Q483 HydrophobicContact CD1-CB 4.12Å; L464-Q483 HydrophobicContact CD1-CG 3.89Å; L464-Q483 HydrophobicContact CG-CG 4.45Å; K467-Q483 HydrophobicContact CD-CB 4.16Å; K467-Q483 HydrophobicContact CD-CG 4.08Å; L480-Q483 CarbonylContact O-C 3.43Å; L480-Q483 WeakPolarHBondContact O-CA 3.28Å; L480-Q483 VanDerWaalsContact O-CB 3.31Å; L480-Q483 WeakPolarHBondContact O-CB 3.31Å; L480-Q483 PolarHBondContact O-N 3.4Å; L480-Q483 VanDerWaalsContact O-N 3.11Å; E481-Q483 VanDerWaalsContact C-N 3.29Å; E481-Q483 PolarHBondContact O-N 2.99Å; Q483-I486 PolarHBondContact O-N 2.96Å; Q483-A487 WeakPolarHBondContact O-CB 3.47Å; Q483-A487 PolarHBondContact O-N 3.49Å
484	M	83.8	Confident	77.3	Confident	28 Å²	28	65.8 Å²	65.8	14%	0.138	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-49.6	175.4	-72.6	165.7	62.9	0	0	111.2	N419 A420 L423 L464 L480 E481 I486 A487 E488	N419-M484 HydrophobicContact CB-CE 3.9Å; A420-M484 VanDerWaalsContact CA-SD 3.5Å; A420-M484 HydrophobicContact CB-CE 4.37Å; A420-M484 HydrophobicContact CB-CG 4.05Å; A420-M484 HydrophobicContact CB-SD 3.47Å; A420-M484 WeakPolarHBondContact CB-SD 3.49Å; L423-M484 HydrophobicContact CD2-CB 3.52Å; L423-M484 HydrophobicContact CD2-CE 4.34Å; L423-M484 HydrophobicContact CD2-CG 3.92Å; L423-M484 WeakPolarHBondContact CD2-O 3.36Å; L464-M484 HydrophobicContact CD1-CG 3.94Å; L480-M484 HydrophobicContact CG-SD 4.49Å; L480-M484 VanDerWaalsContact O-CG 3.28Å; L480-M484 WeakPolarHBondContact O-CG 3.41Å; L480-M484 PolarHBondContact O-N 3.47Å; E481-M484 WeakPolarHBondContact O-CB 3.35Å; E481-M484 PolarHBondContact O-N 3.06Å; M484-I486 PolarHBondContact O-N 3.06Å; M484-A487 PolarHBondContact O-N 2.91Å; M484-E488 PolarHBondContact O-N 3.26Å
485	H	84.4	Confident	78.7	Confident	125 Å²	125	60.7 Å²	60.7	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-59.4	-45.9	178.4	-178.6	-85.1	0	0	0	111.6	E481 N482 A487 Q489	E481-H485 PolarHBondContact O-N 3.45Å; N482-H485 PolarHBondContact O-N 3.24Å; H485-A487 PolarHBondContact O-N 3.42Å; H485-Q489 WeakPolarHBondContact O-CB 3.28Å; H485-Q489 PolarHBondContact O-N 3.12Å
486	I	85.8	Confident	80	Confident	60 Å²	60	57.5 Å²	57.5	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-45.5	176.7	-66.9	166.1	0	0	0	111	E460 N482 Q483 M484 Q489 R490	E460-I486 HydrophobicContact CG-CG2 3.92Å; N482-I486 WeakPolarHBondContact O-CD1 3.47Å; N482-I486 VanDerWaalsContact O-CG1 3.25Å; N482-I486 WeakPolarHBondContact O-CG1 3.46Å; N482-I486 PolarHBondContact O-N 2.99Å; Q483-I486 PolarHBondContact O-N 2.96Å; M484-I486 PolarHBondContact O-N 3.06Å; I486-Q489 PolarHBondContact O-N 3.04Å; I486-R490 HydrophobicContact CG2-CG 4.48Å; I486-R490 VanDerWaalsContact O-CG 3.27Å; I486-R490 WeakPolarHBondContact O-CG 3.38Å; I486-R490 PolarHBondContact O-N 3.38Å
487	A	85.2	Confident	80.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-46.6	-180	0	0	0	0	0	112.5	E460 L464 Q483 M484 H485 R490 R491	E460-A487 HydrophobicContact CB-CB 4.49Å; L464-A487 HydrophobicContact CD2-CB 4.27Å; Q483-A487 WeakPolarHBondContact O-CB 3.47Å; Q483-A487 PolarHBondContact O-N 3.49Å; M484-A487 PolarHBondContact O-N 2.91Å; H485-A487 PolarHBondContact O-N 3.42Å; A487-R490 PolarHBondContact O-N 2.94Å; A487-R491 WeakPolarHBondContact O-CB 3.34Å; A487-R491 PolarHBondContact O-N 3.35Å
488	E	85.2	Confident	81.4	Confident	26 Å²	26	55.2 Å²	55.2	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-37.6	176.5	179.8	57.8	-164.8	0	0	111.6	L423 K426 M484 R491 R492	L423-E488 HydrophobicContact CD1-CB 4.03Å; L423-E488 HydrophobicContact CD1-CG 4.33Å; L423-E488 WeakPolarHBondContact CD1-OE2 3.48Å; L423-E488 HydrophobicContact CD2-CB 4.19Å; K426-E488 IonicContact NZ-OE1 3.5Å; M484-E488 PolarHBondContact O-N 3.26Å; E488-R491 PolarHBondContact O-N 3.32Å; E488-R491 IonicContact OE1-CZ 3.78Å; E488-R491 IonicContact OE1-NE 3.82Å; E488-R491 PolarHBondContact OE1-NE 2.76Å; E488-R491 IonicContact OE1-NH2 2.99Å; E488-R491 PolarHBondContact OE1-NH2 3.05Å; E488-R491 IonicContact OE2-CZ 2.73Å; E488-R491 IonicContact OE2-NE 3.67Å; E488-R491 PolarHBondContact OE2-NE 3.02Å; E488-R491 IonicContact OE2-NH2 3.53Å; E488-R491 PolarHBondContact OE2-NH2 3.3Å; E488-R492 HydrophobicContact CG-CG 4.27Å; E488-R492 VanDerWaalsContact O-CB 3.32Å; E488-R492 WeakPolarHBondContact O-CB 3.25Å; E488-R492 VanDerWaalsContact O-CG 3.29Å; E488-R492 WeakPolarHBondContact O-CG 3.35Å; E488-R492 PolarHBondContact O-N 3.04Å; E488-R492 WeakPolarHBondContact OE1-CD 3.48Å; E488-R492 VanDerWaalsContact OE1-CG 3.32Å; E488-R492 WeakPolarHBondContact OE1-CG 3.3Å; E488-R492 IonicContact OE1-CZ 2.89Å; E488-R492 IonicContact OE1-NE 2.76Å; E488-R492 PolarHBondContact OE1-NE 2.91Å
489	Q	86.7	Confident	81.3	Confident	105 Å²	105	52.1 Å²	52.1	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-46.6	174.8	-172.5	178.9	10.4	0	0	111.3	H485 I486 R491 R492 T493	H485-Q489 WeakPolarHBondContact O-CB 3.28Å; H485-Q489 PolarHBondContact O-N 3.12Å; I486-Q489 PolarHBondContact O-N 3.04Å; Q489-R491 VanDerWaalsContact C-N 3.35Å; Q489-R491 PolarHBondContact O-N 2.85Å; Q489-R492 PolarHBondContact O-N 3.2Å; Q489-T493 PolarHBondContact O-N 3.42Å; Q489-T493 PolarHBondContact O-OG1 3.03Å
490	R	84.8	Confident	80.3	Confident	101 Å²	101	55.1 Å²	55.1	38%	0.381	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-41	175.5	-66.5	-72.7	175	-162.2	-14.5	111.6	L457 E460 I486 A487 T493 L494	L457-R490 HydrophobicContact CB-CB 4.47Å; L457-R490 HydrophobicContact CD1-CB 3.97Å; E460-R490 HydrophobicContact CG-CG 4.45Å; I486-R490 HydrophobicContact CG2-CG 4.48Å; I486-R490 VanDerWaalsContact O-CG 3.27Å; I486-R490 WeakPolarHBondContact O-CG 3.38Å; I486-R490 PolarHBondContact O-N 3.38Å; A487-R490 PolarHBondContact O-N 2.94Å; R490-T493 PolarHBondContact O-N 2.98Å; R490-L494 WeakPolarHBondContact O-CB 3.45Å; R490-L494 PolarHBondContact O-N 3.41Å
491	R	85.1	Confident	78.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-47.7	175.4	-164.3	-167.2	72.9	89.5	12.3	111.3	E63 K426 T430 L457 A487 E488 Q489 T493 L494 L495	E63-R491 IonicContact OE1-CZ 3.87Å; E63-R491 IonicContact OE1-NH1 3.64Å; E63-R491 PolarHBondContact OE1-NH1 3.33Å; E63-R491 IonicContact OE1-NH2 3.68Å; E63-R491 IonicContact OE2-CZ 2.87Å; E63-R491 VanDerWaalsContact OE2-CZ 3.3Å; E63-R491 IonicContact OE2-NH1 2.73Å; E63-R491 PolarHBondContact OE2-NH1 3.27Å; E63-R491 IonicContact OE2-NH2 3.65Å; E63-R491 PolarHBondContact OE2-NH2 3.07Å; K426-R491 VanDerWaalsContact CE-CZ 3.45Å; T430-R491 HydrophobicContact CG2-CG 3.9Å; T430-R491 PolarHBondContact OG1-NH1 3.45Å; L457-R491 HydrophobicContact CD1-CB 4.1Å; L457-R491 HydrophobicContact CD2-CB 4.47Å; A487-R491 WeakPolarHBondContact O-CB 3.34Å; A487-R491 PolarHBondContact O-N 3.35Å; E488-R491 PolarHBondContact O-N 3.32Å; E488-R491 IonicContact OE1-CZ 3.78Å; E488-R491 IonicContact OE1-NE 3.82Å; E488-R491 PolarHBondContact OE1-NE 2.76Å; E488-R491 IonicContact OE1-NH2 2.99Å; E488-R491 PolarHBondContact OE1-NH2 3.05Å; E488-R491 IonicContact OE2-CZ 2.73Å; E488-R491 IonicContact OE2-NE 3.67Å; E488-R491 PolarHBondContact OE2-NE 3.02Å; E488-R491 IonicContact OE2-NH2 3.53Å; E488-R491 PolarHBondContact OE2-NH2 3.3Å; Q489-R491 VanDerWaalsContact C-N 3.35Å; Q489-R491 PolarHBondContact O-N 2.85Å; R491-T493 PolarHBondContact O-N 2.92Å; R491-L494 PolarHBondContact O-N 3Å; R491-L495 HydrophobicContact CG-CD1 4.46Å; R491-L495 WeakPolarHBondContact O-CB 3.09Å; R491-L495 WeakPolarHBondContact O-CG 3.34Å; R491-L495 PolarHBondContact O-N 2.77Å
492	R	83.7	Confident	78.5	Confident	60 Å²	60	59.7 Å²	59.7	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-39.2	177.1	-75.7	173.9	167.6	-150.1	-15.6	112.3	D58 D61 E488 Q489 K496	D58-R492 IonicContact OD2-CZ 3.99Å; D58-R492 VanDerWaalsContact OD2-CZ 3.23Å; D58-R492 IonicContact OD2-NH1 2.78Å; D58-R492 PolarHBondContact OD2-NH1 3.47Å; D58-R492 IonicContact OD2-NH2 3Å; D58-R492 PolarHBondContact OD2-NH2 3.44Å; D61-R492 IonicContact OD2-CZ 2.67Å; D61-R492 IonicContact OD2-NE 2.9Å; D61-R492 IonicContact OD2-NH2 3.09Å; D61-R492 PolarHBondContact OD2-NH2 3.11Å; E488-R492 HydrophobicContact CG-CG 4.27Å; E488-R492 VanDerWaalsContact O-CB 3.32Å; E488-R492 WeakPolarHBondContact O-CB 3.25Å; E488-R492 VanDerWaalsContact O-CG 3.29Å; E488-R492 WeakPolarHBondContact O-CG 3.35Å; E488-R492 PolarHBondContact O-N 3.04Å; E488-R492 WeakPolarHBondContact OE1-CD 3.48Å; E488-R492 VanDerWaalsContact OE1-CG 3.32Å; E488-R492 WeakPolarHBondContact OE1-CG 3.3Å; E488-R492 IonicContact OE1-CZ 2.89Å; E488-R492 IonicContact OE1-NE 2.76Å; E488-R492 PolarHBondContact OE1-NE 2.91Å; Q489-R492 PolarHBondContact O-N 3.2Å; R492-K496 WeakPolarHBondContact O-CB 3.43Å; R492-K496 VanDerWaalsContact O-CG 3.26Å; R492-K496 WeakPolarHBondContact O-CG 3.39Å; R492-K496 PolarHBondContact O-N 2.63Å
493	T	85.3	Confident	78.3	Confident	58 Å²	58	58.1 Å²	58.1	36%	0.356	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-50.8	173.6	-65.7	0	0	0	0	111.7	Q489 R490 R491 L495 K496 D497	Q489-T493 PolarHBondContact O-N 3.42Å; Q489-T493 PolarHBondContact O-OG1 3.03Å; R490-T493 PolarHBondContact O-N 2.98Å; R491-T493 PolarHBondContact O-N 2.92Å; T493-L495 VanDerWaalsContact C-N 3.26Å; T493-L495 PolarHBondContact O-N 2.88Å; T493-K496 PolarHBondContact O-N 3.44Å; T493-K496 VanDerWaalsContact O-N 3.08Å; T493-D497 PolarHBondContact O-N 3.35Å
494	L	83	Confident	78	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-38.3	179.4	-175	151.8	0	0	0	111.7	P273 T434 F450 Q453 Q454 L457 R490 R491 F498	P273-L494 HydrophobicContact CG-CD2 4.14Å; T434-L494 HydrophobicContact CG2-CD1 4.13Å; T434-L494 HydrophobicContact CG2-CD2 3.85Å; F450-L494 HydrophobicContact CE2-CD1 4.28Å; F450-L494 HydrophobicContact CE2-CD2 3.95Å; F450-L494 HydrophobicContact CE2-CG 4.1Å; F450-L494 HydrophobicContact CZ-CD2 4.41Å; Q453-L494 HydrophobicContact CB-CD1 4.23Å; Q454-L494 HydrophobicContact CB-CD1 4.4Å; L457-L494 HydrophobicContact CD2-CD1 4.11Å; R490-L494 WeakPolarHBondContact O-CB 3.45Å; R490-L494 PolarHBondContact O-N 3.41Å; R491-L494 PolarHBondContact O-N 3Å; L494-F498 PolarHBondContact O-N 3.11Å
495	L	81.3	Confident	77.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-46.9	172.3	-70.2	176.1	0	0	0	112	E63 A272 P273 T430 R491 T493 D497 F498 H499	E63-L495 HydrophobicContact CG-CD1 4.36Å; A272-L495 HydrophobicContact CB-CD2 4.03Å; P273-L495 HydrophobicContact CB-CD2 4.23Å; T430-L495 HydrophobicContact CG2-CD1 4.48Å; T430-L495 HydrophobicContact CG2-CD2 4.12Å; T430-L495 HydrophobicContact CG2-CG 4.34Å; R491-L495 HydrophobicContact CG-CD1 4.46Å; R491-L495 WeakPolarHBondContact O-CB 3.09Å; R491-L495 WeakPolarHBondContact O-CG 3.34Å; R491-L495 PolarHBondContact O-N 2.77Å; T493-L495 VanDerWaalsContact C-N 3.26Å; T493-L495 PolarHBondContact O-N 2.88Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.16Å; L495-F498 PolarHBondContact O-N 3.34Å; L495-H499 HydrophobicContact CD2-CB 4.5Å; L495-H499 WeakPolarHBondContact O-CA 3.35Å; L495-H499 WeakPolarHBondContact O-CB 3.46Å; L495-H499 PolarHBondContact O-N 3.29Å
496	K	80.4	Confident	77.2	Confident	116 Å²	116	58.8 Å²	58.8	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-34.9	179.6	-75.4	175	-179.3	-175.1	0	113.2	S60 P62 R492 T493	S60-K496 WeakPolarHBondContact O-CE 3.47Å; S60-K496 PolarHBondContact O-NZ 3.41Å; P62-K496 HydrophobicContact CG-CG 4.24Å; R492-K496 WeakPolarHBondContact O-CB 3.43Å; R492-K496 VanDerWaalsContact O-CG 3.26Å; R492-K496 WeakPolarHBondContact O-CG 3.39Å; R492-K496 PolarHBondContact O-N 2.63Å; T493-K496 PolarHBondContact O-N 3.44Å; T493-K496 VanDerWaalsContact O-N 3.08Å
497	D	77.6	Confident	76.7	Confident	70 Å²	70	58.7 Å²	58.7	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-81.6	-20.7	-178.6	-73.3	-11.5	0	0	0	114.1	R446 Q453 T493 L495	R446-D497 PolarHBondContact NH2-O 3.19Å; Q453-D497 PolarHBondContact NE2-OD2 2.91Å; T493-D497 PolarHBondContact O-N 3.35Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.16Å
498	F	72.4	Confident	76.1	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-130.1	-20.7	-171.7	-66.8	-90.6	0	0	0	115.8	Y437 M441 R446 L449 F450 L494 L495 K500	Y437-F498 HydrophobicContact CE1-CB 4.05Å; Y437-F498 AromaticContact CE1-CD1 3.88Å; Y437-F498 HydrophobicContact CE1-CD1 3.88Å; Y437-F498 HydrophobicContact CE1-CG 4.32Å; Y437-F498 PolarHBondContact OH-O 3.01Å; M441-F498 HydrophobicContact CE-CD1 4.21Å; M441-F498 HydrophobicContact CE-CE1 4.21Å; R446-F498 HydrophobicContact CG-CE1 3.65Å; R446-F498 HydrophobicContact CG-CZ 4.24Å; L449-F498 HydrophobicContact CG-CZ 4.48Å; F450-F498 HydrophobicContact CB-CD1 4.48Å; F450-F498 HydrophobicContact CB-CE1 3.74Å; F450-F498 HydrophobicContact CB-CE2 4.32Å; F450-F498 HydrophobicContact CB-CZ 3.66Å; F450-F498 HydrophobicContact CD2-CB 4.33Å; F450-F498 AromaticContact CD2-CD1 3.61Å; F450-F498 HydrophobicContact CD2-CD1 3.61Å; F450-F498 AromaticContact CD2-CD2 3.68Å; F450-F498 HydrophobicContact CD2-CD2 3.68Å; F450-F498 AromaticContact CD2-CE1 3.7Å; F450-F498 HydrophobicContact CD2-CE1 3.7Å; F450-F498 AromaticContact CD2-CE2 3.81Å; F450-F498 HydrophobicContact CD2-CE2 3.81Å; F450-F498 AromaticContact CD2-CG 3.59Å; F450-F498 HydrophobicContact CD2-CG 3.59Å; F450-F498 AromaticContact CD2-CZ 3.82Å; F450-F498 HydrophobicContact CD2-CZ 3.82Å; F450-F498 HydrophobicContact CE2-CB 4.26Å; F450-F498 HydrophobicContact CE2-CD1 4.31Å; F450-F498 HydrophobicContact CE2-CD2 4.23Å; F450-F498 HydrophobicContact CE2-CG 4.01Å; F450-F498 HydrophobicContact CG-CD1 4.42Å; F450-F498 HydrophobicContact CG-CE1 4.14Å; F450-F498 HydrophobicContact CG-CZ 4.26Å; L494-F498 PolarHBondContact O-N 3.11Å; L495-F498 PolarHBondContact O-N 3.34Å; F498-K500 PolarHBondContact O-N 3.3Å; F498-K500 VanDerWaalsContact O-N 3.09Å
499	H	65.1	Low	75.4	Confident	34 Å²	34	65.7 Å²	65.7	16%	0.157	31%	0.314	C	S	.	.			trans	-79.5	88	171.7	-166.5	63.7	0	0	0	110.3	L495	L495-H499 HydrophobicContact CD2-CB 4.5Å; L495-H499 WeakPolarHBondContact O-CA 3.35Å; L495-H499 WeakPolarHBondContact O-CB 3.46Å; L495-H499 PolarHBondContact O-N 3.29Å
500	K	53	Low	74.4	Confident	166 Å²	166	62.4 Å²	62.4	72%	0.722	30%	0.3	S	S	*	.			trans	-63.1	139.2	171.4	-67.9	-176.6	176.8	-178.7	0	110.6	F498	F498-K500 PolarHBondContact O-N 3.3Å; F498-K500 VanDerWaalsContact O-N 3.09Å
501	T	41.4	Very low	73.5	Confident	138 Å²	138	58.9 Å²	58.9	85%	0.847	29%	0.292	S	S	*	.			trans	-71.2	0	-160.1	-11.2	0	0	0	0	117.1	R249 R251	R249-T501 PolarHBondContact NH1-OXT 3.46Å; R251-T501 PolarHBondContact NH2-OXT 2.88Å

Retrieved 501 of 501 residues in 196.7 ms (Link to these results)

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