A0A077Z8F3_TRITR Loading...

Metalloendopeptidase

AlphaFold DB , UniProt , Accession A0A077Z8F3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 587 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	56.4	Low	68.3	Low	194 Å²	194	131.5 Å²	131.5	96%	0.956	66%	0.656	S	S	*	*				0	-53.6	0	-85.1	-179	89.4	0	0	113.9	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 2.9Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.46Å
2	K	62.3	Low	68.1	Low	183 Å²	183	125 Å²	125	80%	0.796	63%	0.628	S	S	*	*	H	α-helix	trans	-57.5	-36.4	-178.5	-71.3	-176.7	176	-179	0	114.5	L5 V6	K2-L5 PolarHBondContact O-N 2.97Å; K2-V6 PolarHBondContact O-N 3.38Å
3	L	63.5	Low	67.6	Low	142 Å²	142	123.3 Å²	123.3	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-69.9	-32.4	178.1	-151.4	78.9	0	0	0	113.6	M1 L7	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å; L3-L7 PolarHBondContact O-N 3.41Å
4	L	67.8	Low	66.7	Low	130 Å²	130	120.9 Å²	120.9	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-71.7	-33.8	176.6	-87.5	151.1	0	0	0	111.7	M1 Y8	M1-L4 PolarHBondContact O-N 2.9Å; M1-L4 VanDerWaalsContact O-N 3.14Å; L4-Y8 PolarHBondContact O-N 2.96Å; L4-Y8 VanDerWaalsContact O-N 3.07Å
5	L	75.5	Confident	65.8	Low	102 Å²	102	123.3 Å²	123.3	53%	0.534	63%	0.629	S	S	.	*	H	α-helix	trans	-67.2	-37.3	176.5	-83.5	158.4	0	0	0	112.5	M1 K2 Y8 F9	M1-L5 PolarHBondContact O-N 3.46Å; K2-L5 PolarHBondContact O-N 2.97Å; L5-Y8 PolarHBondContact O-N 3.43Å; L5-F9 PolarHBondContact O-N 2.88Å; L5-F9 VanDerWaalsContact O-N 3.1Å
6	V	76.5	Confident	64.7	Low	88 Å²	88	129.5 Å²	129.5	53%	0.533	64%	0.642	S	S	.	*	H	α-helix	trans	-68.6	-41.9	177.9	176.7	0	0	0	0	111.3	K2 Y8 F9 L10	K2-V6 PolarHBondContact O-N 3.38Å; V6-Y8 VanDerWaalsContact C-N 3.35Å; V6-Y8 PolarHBondContact O-N 2.75Å; V6-F9 PolarHBondContact O-N 3.28Å; V6-L10 HydrophobicContact CG1-CD1 4.22Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 2.79Å; V6-L10 VanDerWaalsContact O-N 3.09Å
7	L	71.5	Confident	63.2	Low	112 Å²	112	128.1 Å²	128.1	59%	0.586	65%	0.646	S	S	*	*	H	α-helix	trans	-65.3	-37.5	176.1	-75.4	165.9	0	0	0	112.1	L3 L10 C11	L3-L7 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 2.8Å; L7-C11 WeakPolarHBondContact O-CB 3.46Å; L7-C11 PolarHBondContact O-N 3.47Å
8	Y	77	Confident	61.8	Low	167 Å²	167	128.3 Å²	128.3	66%	0.655	65%	0.654	S	S	*	*	H	α-helix	trans	-64.5	-43.4	175.7	-166.6	-95.2	0	0	0	111.9	L4 L5 V6 C11 T12	L4-Y8 PolarHBondContact O-N 2.96Å; L4-Y8 VanDerWaalsContact O-N 3.07Å; L5-Y8 PolarHBondContact O-N 3.43Å; V6-Y8 VanDerWaalsContact C-N 3.35Å; V6-Y8 PolarHBondContact O-N 2.75Å; Y8-C11 PolarHBondContact O-N 3.24Å; Y8-T12 HydrophobicContact CD1-CG2 4.28Å; Y8-T12 HydrophobicContact CE1-CG2 3.98Å; Y8-T12 PolarHBondContact O-N 3.46Å; Y8-T12 VanDerWaalsContact O-N 3.08Å; Y8-T12 PolarHBondContact O-OG1 2.82Å
9	F	70.5	Confident	60.3	Low	137 Å²	137	125.9 Å²	125.9	60%	0.601	66%	0.656	S	S	*	*	H	α-helix	trans	-62	-44.7	176.8	-103.7	-85.9	0	0	0	112.3	L5 V6 C11 T12 I13	L5-F9 PolarHBondContact O-N 2.88Å; L5-F9 VanDerWaalsContact O-N 3.1Å; V6-F9 PolarHBondContact O-N 3.28Å; F9-C11 VanDerWaalsContact C-N 3.33Å; F9-C11 PolarHBondContact O-N 2.77Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.02Å; F9-I13 WeakPolarHBondContact O-CG1 3.32Å; F9-I13 PolarHBondContact O-N 3.27Å
10	L	68.3	Low	59	Low	111 Å²	111	128.4 Å²	128.4	58%	0.581	66%	0.664	S	S	*	*	H	α-helix	trans	-65.6	-35.7	178.1	-69.9	172	0	0	0	112.4	V6 L7 I13 S14	V6-L10 HydrophobicContact CG1-CD1 4.22Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 2.79Å; V6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.8Å; L10-I13 PolarHBondContact O-N 3.44Å; L10-S14 PolarHBondContact O-N 3.41Å
11	C	62.2	Low	57.9	Low	81 Å²	81	129 Å²	129	55%	0.547	67%	0.674	S	S	.	*	H	α-helix	trans	-66.5	-38.9	175.7	-128.8	0	0	0	0	112.1	L7 Y8 F9 I13 S14 Q15	L7-C11 WeakPolarHBondContact O-CB 3.46Å; L7-C11 PolarHBondContact O-N 3.47Å; Y8-C11 PolarHBondContact O-N 3.24Å; F9-C11 VanDerWaalsContact C-N 3.33Å; F9-C11 PolarHBondContact O-N 2.77Å; C11-I13 VanDerWaalsContact C-N 3.35Å; C11-I13 PolarHBondContact O-N 3.44Å; C11-S14 PolarHBondContact O-N 3.12Å; C11-Q15 PolarHBondContact O-N 3.49Å
12	T	65.9	Low	56.8	Low	53 Å²	53	127.5 Å²	127.5	33%	0.325	67%	0.67	S	S	.	*	H	α-helix	trans	-70	-28.7	178.1	54.8	0	0	0	0	113.9	Y8 F9	Y8-T12 HydrophobicContact CD1-CG2 4.28Å; Y8-T12 HydrophobicContact CE1-CG2 3.98Å; Y8-T12 PolarHBondContact O-N 3.46Å; Y8-T12 VanDerWaalsContact O-N 3.08Å; Y8-T12 PolarHBondContact O-OG1 2.82Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.02Å
13	I	61.1	Low	55.4	Low	103 Å²	103	125.5 Å²	125.5	53%	0.528	67%	0.668	S	S	.	*	H	α-helix	trans	-71.1	-40.3	175.6	-65.6	167.4	0	0	0	110.1	F9 L10 C11 Q15 R16	F9-I13 WeakPolarHBondContact O-CG1 3.32Å; F9-I13 PolarHBondContact O-N 3.27Å; L10-I13 PolarHBondContact O-N 3.44Å; C11-I13 VanDerWaalsContact C-N 3.35Å; C11-I13 PolarHBondContact O-N 3.44Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 3.41Å; I13-R16 PolarHBondContact O-N 3.44Å
14	S	54.9	Low	54.3	Low	90 Å²	90	123.8 Å²	123.8	63%	0.629	67%	0.666	S	S	*	*	H	α-helix	trans	-69.7	-26.4	-179	-159.2	0	0	0	0	113.7	L10 C11	L10-S14 PolarHBondContact O-N 3.41Å; C11-S14 PolarHBondContact O-N 3.12Å
15	Q	53.9	Low	52.6	Low	157 Å²	157	124.7 Å²	124.7	73%	0.734	67%	0.671	S	S	*	*	H	α-helix	trans	-80.2	-17.7	177.7	-74.4	-172.2	-28.4	0	0	113.6	C11 I13	C11-Q15 PolarHBondContact O-N 3.49Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 3.41Å
16	R	48.2	Very low	50.4	Low	222 Å²	222	128.7 Å²	128.7	84%	0.838	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	178.6	-81.9	-171.8	175.3	-167.8	-1.4	114.7	I13	I13-R16 PolarHBondContact O-N 3.44Å
17	C	38.3	Very low	48.2	Very low	106 Å²	106	130.2 Å²	130.2	72%	0.716	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	15.4	-179.7	-63.9	0	0	0	0	114.4
18	V	38.6	Very low	46.3	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	71%	0.705	S	S	*	*			trans	-120.8	67.3	175.2	-168.8	0	0	0	0	110.4
19	A	33	Very low	43.9	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	72%	0.715	S	S	*	*			trans	-171.3	126.6	163.9	0	0	0	0	0	103.7
20	E	34.4	Very low	42	Very low	174 Å²	174	132.5 Å²	132.5	81%	0.813	73%	0.727	S	S	*	*			cis	-153.4	130.8	22.4	-63.5	166.8	135.2	0	0	106.7
21	T	35.3	Very low	40.2	Very low	143 Å²	143	136.1 Å²	136.1	88%	0.877	74%	0.74	S	S	*	*			trans	-138.8	84	157.7	57.1	0	0	0	0	107.5
22	N	33.9	Very low	38.8	Very low	162 Å²	162	140 Å²	140	87%	0.866	76%	0.756	S	S	*	*			trans	-92.3	102.1	167	-76.2	-34	0	0	0	107.2
23	D	34	Very low	37.1	Very low	140 Å²	140	145 Å²	145	75%	0.749	78%	0.781	S	S	*	*			trans	-115.6	112.9	163.4	-166.5	-5.4	0	0	0	108.4	N25	D23-N25 PolarHBondContact O-N 3.33Å
24	P	38.8	Very low	35.7	Very low	107 Å²	107	145.5 Å²	145.5	70%	0.695	79%	0.791	S	S	*	*			trans	-91.5	97.8	-179.8	33.8	-27	0	0	0	109.5
25	N	33.2	Very low	34.7	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	80%	0.797	S	S	*	*			trans	-146.3	90.8	156	-83.5	-55.5	0	0	0	110.2	D23	D23-N25 PolarHBondContact O-N 3.33Å
26	E	28.2	Very low	33.7	Very low	186 Å²	186	146 Å²	146	87%	0.869	80%	0.803	S	S	*	*			trans	-53.2	139.9	159.2	-169.5	176.1	-158.5	0	0	110.8
27	V	32.1	Very low	32.8	Very low	120 Å²	120	143.2 Å²	143.2	73%	0.727	80%	0.803	S	S	*	*			trans	173.3	107.9	135.8	157.2	0	0	0	0	110.8
28	K	31.4	Very low	32.4	Very low	176 Å²	176	142.6 Å²	142.6	77%	0.765	80%	0.8	S	S	*	*			trans	71.6	100	137.9	-62	-179	-173.3	-176	0	121.2
29	E	26.8	Very low	32.2	Very low	186 Å²	186	143 Å²	143	87%	0.869	80%	0.797	S	S	*	*				43.7	107.5	114.5	-67.3	177.6	167.5	0	0	118.6
30	A	30.6	Very low	32	Very low	103 Å²	103	146.7 Å²	146.7	85%	0.851	81%	0.806	S	S	*	*			trans	-149.6	110.8	135.2	0	0	0	0	0	108.9
31	E	29	Very low	32.1	Very low	186 Å²	186	144 Å²	144	87%	0.869	80%	0.8	S	S	*	*			trans	-60	130.9	175.2	-62.5	170.2	137.1	0	0	111
32	N	32.8	Very low	32.1	Very low	164 Å²	164	141.9 Å²	141.9	88%	0.877	79%	0.788	S	S	*	*			trans	-156.4	124.5	145.9	-93.7	-43.5	0	0	0	109.3
33	N	31.5	Very low	32.4	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-54.8	137.3	-166.1	-72.9	-56.2	0	0	0	114.8
34	P	31.8	Very low	32.6	Very low	113 Å²	113	141.3 Å²	141.3	73%	0.734	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.6	144.2	178.7	33.9	-32	0	0	0	111.7
35	P	33.4	Very low	32.7	Very low	117 Å²	117	139.8 Å²	139.8	76%	0.76	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-75.4	141.2	171.7	30.3	-30.3	0	0	0	111	I37	P35-I37 PolarHBondContact O-N 3.49Å
36	T	32.2	Very low	33.1	Very low	140 Å²	140	137.2 Å²	137.2	86%	0.859	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.4	-178.5	45.4	0	0	0	0	113.2
37	I	29.6	Very low	33.9	Very low	164 Å²	164	135 Å²	135	84%	0.841	76%	0.756	S	S	*	*			trans	-87	110.4	169.3	-64.9	171.5	0	0	0	107.6	P35	P35-I37 PolarHBondContact O-N 3.49Å
38	S	30.6	Very low	34.2	Very low	93 Å²	93	138.9 Å²	138.9	65%	0.65	76%	0.757	S	S	*	*			trans	-119	146.1	157.5	79.6	0	0	0	0	109.6
39	D	34	Very low	34.9	Very low	139 Å²	139	138.1 Å²	138.1	74%	0.743	76%	0.757	S	S	*	*			trans	82	58.5	164.3	-45.1	-39	0	0	0	116.7	V41	D39-V41 PolarHBondContact O-N 3.43Å
40	N	29.2	Very low	35.8	Very low	162 Å²	162	135.6 Å²	135.6	87%	0.866	75%	0.745	S	S	*	*			trans	-72.1	72.3	155.8	-130.9	-0.6	0	0	0	109.3	T42	N40-T42 PolarHBondContact O-N 3.12Å
41	V	35.9	Very low	36.2	Very low	116 Å²	116	137.6 Å²	137.6	70%	0.703	74%	0.738	S	S	*	*			trans	-87.1	100.3	168.9	179.1	0	0	0	0	108.3	D39 V43	D39-V41 PolarHBondContact O-N 3.43Å; V41-V43 PolarHBondContact O-N 3.04Å
42	T	35.9	Very low	36.7	Very low	99 Å²	99	134.9 Å²	134.9	61%	0.607	73%	0.729	S	S	*	*			trans	-13.5	101.7	167.8	-44.7	0	0	0	0	116.3	N40 Q44 S45	N40-T42 PolarHBondContact O-N 3.12Å; T42-Q44 HydrophobicContact CG2-CB 4.14Å; T42-Q44 PolarHBondContact O-N 2.73Å; T42-S45 PolarHBondContact O-N 3.15Å; T42-S45 PolarHBondContact O-OG 2.85Å
43	V	39.1	Very low	37.2	Very low	121 Å²	121	130.2 Å²	130.2	73%	0.733	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-5.7	175	174.3	0	0	0	0	114.1	V41	V41-V43 PolarHBondContact O-N 3.04Å
44	Q	38.4	Very low	37.5	Very low	170 Å²	170	127.6 Å²	127.6	79%	0.794	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-15.9	177.9	-73.5	-152.9	-19.3	0	0	115.5	T42	T42-Q44 HydrophobicContact CG2-CB 4.14Å; T42-Q44 PolarHBondContact O-N 2.73Å
45	S	40.8	Very low	37.8	Very low	75 Å²	75	127.7 Å²	127.7	52%	0.524	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-31.4	178.7	55.3	0	0	0	0	113.4	T42 M47 R48	T42-S45 PolarHBondContact O-N 3.15Å; T42-S45 PolarHBondContact O-OG 2.85Å; S45-M47 PolarHBondContact O-N 3.45Å; S45-R48 PolarHBondContact O-N 3.47Å
46	V	42.7	Very low	38	Very low	93 Å²	93	127 Å²	127	56%	0.564	70%	0.699	S	S	*	*	H	α-helix	trans	-68.4	-37.3	-175.9	-176.9	0	0	0	0	112	R48	V46-R48 PolarHBondContact O-N 2.97Å
47	M	43.3	Very low	38.2	Very low	141 Å²	141	125.3 Å²	125.3	70%	0.695	69%	0.688	S	S	*	*	H	α-helix	trans	-67.6	-21.6	179.5	-67.6	-81.8	-80.2	0	0	113.4	S45	S45-M47 PolarHBondContact O-N 3.45Å
48	R	39.8	Very low	38.3	Very low	200 Å²	200	121.6 Å²	121.6	76%	0.755	68%	0.682	S	S	*	*	H	α-helix	trans	-89.6	-30.5	-175.3	-146.1	179	-165.2	178.9	4.4	113.1	S45 V46	S45-R48 PolarHBondContact O-N 3.47Å; V46-R48 PolarHBondContact O-N 2.97Å
49	E	45	Very low	38.1	Very low	160 Å²	160	128.9 Å²	128.9	75%	0.748	70%	0.696	S	S	*	*	H	α-helix	trans	-75.9	-35.5	175.6	-75.7	-145.4	153.6	0	0	112.6	M51 L52 A53	E49-M51 VanDerWaalsContact C-N 3.33Å; E49-M51 PolarHBondContact O-N 3.14Å; E49-L52 PolarHBondContact O-N 2.8Å; E49-A53 PolarHBondContact O-N 3.31Å; E49-A53 VanDerWaalsContact O-N 3.12Å
50	E	45.4	Very low	38	Very low	134 Å²	134	133 Å²	133	63%	0.626	70%	0.701	S	S	*	*	H	α-helix	trans	-66.3	-34.6	177.3	-69.4	-169.9	158.3	0	0	112.4	L52 T54	E50-L52 PolarHBondContact O-N 3.32Å; E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 2.84Å
51	M	40.2	Very low	38.1	Very low	145 Å²	145	133.8 Å²	133.8	71%	0.714	70%	0.699	S	S	*	*	H	α-helix	trans	-66.7	-34.7	175.4	-95.2	-162.9	77.9	0	0	113.4	E49	E49-M51 VanDerWaalsContact C-N 3.33Å; E49-M51 PolarHBondContact O-N 3.14Å
52	L	39.6	Very low	37.7	Very low	129 Å²	129	135.3 Å²	135.3	68%	0.675	71%	0.708	S	S	*	*	H	α-helix	trans	-81.3	-30.2	-178.7	-73.4	171.6	0	0	0	112.8	E49 E50 T54	E49-L52 PolarHBondContact O-N 2.8Å; E50-L52 PolarHBondContact O-N 3.32Å; L52-T54 VanDerWaalsContact C-N 3.27Å; L52-T54 PolarHBondContact O-N 2.79Å
53	A	41.7	Very low	37.4	Very low	65 Å²	65	136.1 Å²	136.1	54%	0.537	71%	0.713	S	S	.	*	H	α-helix	trans	-67	-29.2	175	0	0	0	0	0	112.6	E49 V55	E49-A53 PolarHBondContact O-N 3.31Å; E49-A53 VanDerWaalsContact O-N 3.12Å; A53-V55 PolarHBondContact O-N 2.81Å
54	T	39.6	Very low	37	Very low	104 Å²	104	135.5 Å²	135.5	64%	0.638	71%	0.714	S	S	*	*	H	α-helix	trans	-74.6	-26	-177.5	-37.8	0	0	0	0	112.9	E50 L52 S56	E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 2.84Å; L52-T54 VanDerWaalsContact C-N 3.27Å; L52-T54 PolarHBondContact O-N 2.79Å; T54-S56 VanDerWaalsContact C-N 3.34Å; T54-S56 PolarHBondContact O-N 2.96Å
55	V	36.9	Very low	36.4	Very low	115 Å²	115	135.7 Å²	135.7	70%	0.697	72%	0.717	S	S	*	*	H	α-helix	trans	-74.6	-22.5	-179	179.1	0	0	0	0	112.5	A53	A53-V55 PolarHBondContact O-N 2.81Å
56	S	37.7	Very low	35.8	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-15.4	-176.2	135.6	0	0	0	0	114.8	T54	T54-S56 VanDerWaalsContact C-N 3.34Å; T54-S56 PolarHBondContact O-N 2.96Å
57	V	37.6	Very low	35.1	Very low	105 Å²	105	142.2 Å²	142.2	64%	0.636	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-10.9	-173.3	-176.7	0	0	0	0	113.3	R59	V57-R59 PolarHBondContact O-N 3.08Å
58	A	30.3	Very low	34.3	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	75%	0.747	S	S	*	*			trans	-83	3.2	-174.6	0	0	0	0	0	116	R60	A58-R60 PolarHBondContact O-N 2.77Å
59	R	27.7	Very low	33.9	Very low	247 Å²	247	141.2 Å²	141.2	93%	0.932	75%	0.748	S	S	*	*			trans	-92.3	68.9	167.5	-83.6	-174.5	178.9	156.3	-0.2	110.8	V57	V57-R59 PolarHBondContact O-N 3.08Å
60	R	32.3	Very low	32.9	Very low	225 Å²	225	140.1 Å²	140.1	85%	0.849	75%	0.753	S	S	*	*			trans	-109.7	109	157.5	-82	-174.8	178.2	-175	0.2	108.1	A58 V62	A58-R60 PolarHBondContact O-N 2.77Å; R60-V62 PolarHBondContact O-N 3.42Å
61	Q	30.9	Very low	32.3	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	76%	0.759	S	S	*	*			trans	-53.1	122.3	176	-73.1	171.2	-51.5	0	0	109.6	T63	Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.19Å
62	V	27.8	Very low	31.6	Very low	147 Å²	147	141.9 Å²	141.9	89%	0.891	77%	0.768	S	S	*	*			trans	-61.5	99.3	164.5	178.2	0	0	0	0	106.4	R60	R60-V62 PolarHBondContact O-N 3.42Å
63	T	28.7	Very low	31.2	Very low	116 Å²	116	141.3 Å²	141.3	71%	0.712	78%	0.775	S	S	*	*			trans	-91	111.3	170.2	29.9	0	0	0	0	106.7	Q61 M65	Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.19Å; T63-M65 PolarHBondContact O-N 3.18Å
64	S	31.6	Very low	30.6	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	79%	0.791	S	S	*	*			trans	-58.2	113.5	171.5	43.2	0	0	0	0	109.2	E66	S64-E66 PolarHBondContact O-N 3.32Å
65	M	26	Very low	29.8	Very low	174 Å²	174	150 Å²	150	86%	0.857	80%	0.803	S	S	*	*			trans	-74.8	109.4	171.1	-74.9	173.5	65.7	0	0	108.7	T63 V67	T63-M65 PolarHBondContact O-N 3.18Å; M65-V67 PolarHBondContact O-N 3.33Å
66	E	27.8	Very low	29.4	Very low	183 Å²	183	153 Å²	153	86%	0.855	81%	0.813	S	S	*	*			trans	-66	118.3	165.6	-71.4	179.7	160.2	0	0	108.9	S64 N68	S64-E66 PolarHBondContact O-N 3.32Å; E66-N68 PolarHBondContact O-N 3.32Å
67	V	28.3	Very low	28.6	Very low	122 Å²	122	158.6 Å²	158.6	74%	0.739	82%	0.819	S	S	*	*			trans	-80.1	105.5	176.9	177.9	0	0	0	0	107.7	M65 E69	M65-V67 PolarHBondContact O-N 3.33Å; V67-E69 HydrophobicContact CG1-CG 4.22Å; V67-E69 PolarHBondContact O-N 2.96Å; V67-E69 VanDerWaalsContact O-N 3.1Å
68	N	26.5	Very low	28.1	Very low	150 Å²	150	161.5 Å²	161.5	80%	0.802	83%	0.831	S	S	*	*			trans	-72.6	95.6	168.5	-98.2	-21.4	0	0	0	109.3	E66 T70	E66-N68 PolarHBondContact O-N 3.32Å; N68-T70 PolarHBondContact O-N 3.28Å
69	E	30	Very low	27.8	Very low	169 Å²	169	164.3 Å²	164.3	79%	0.79	83%	0.829	S	S	*	*			trans	-70.1	106.3	169.8	-69.4	-173.1	162.9	0	0	109.9	V67	V67-E69 HydrophobicContact CG1-CG 4.22Å; V67-E69 PolarHBondContact O-N 2.96Å; V67-E69 VanDerWaalsContact O-N 3.1Å
70	T	25.3	Very low	27.9	Very low	137 Å²	137	159.8 Å²	159.8	84%	0.84	82%	0.824	S	S	*	*			trans	-110.8	72.9	165.9	26	0	0	0	0	108.7	N68 K72	N68-T70 PolarHBondContact O-N 3.28Å; T70-K72 PolarHBondContact O-N 3.26Å
71	S	31.9	Very low	28	Very low	107 Å²	107	154.1 Å²	154.1	75%	0.748	82%	0.816	S	S	*	*			trans	-83.8	104.7	168.6	56.7	0	0	0	0	109.8	S73	S71-S73 PolarHBondContact O-N 3.39Å
72	K	26.4	Very low	27.9	Very low	209 Å²	209	154 Å²	154	91%	0.909	82%	0.82	S	S	*	*			trans	-65.7	106.4	163.3	-72.5	175.6	176	176.6	0	108.5	T70	T70-K72 PolarHBondContact O-N 3.26Å
73	S	30.2	Very low	28	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-92.8	128.6	165.3	65.1	0	0	0	0	109.7	S71	S71-S73 PolarHBondContact O-N 3.39Å
74	E	29	Very low	27.7	Very low	188 Å²	188	157 Å²	157	88%	0.879	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79	145	179.8	-72.6	-179	146.2	0	0	111.7	L76	E74-L76 PolarHBondContact O-N 2.02Å
75	N	23.1	Very low	27.5	Very low	165 Å²	165	155.5 Å²	155.5	88%	0.882	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-47.7	116.2	-179	-82.4	-46.3	0	0	0	114.6
76	L	27.9	Very low	27.6	Very low	176 Å²	176	156.9 Å²	156.9	92%	0.921	83%	0.829	S	S	*	*			trans	-113.4	105.9	151.5	-88.3	157.6	0	0	0	108.7	E74	E74-L76 PolarHBondContact O-N 2.02Å
77	R	21.3	Very low	27.3	Very low	219 Å²	219	157.5 Å²	157.5	83%	0.826	83%	0.832	S	S	*	*			trans	-70.6	119.1	179.6	-162.5	179.5	-166.6	174.9	3	108.6
78	N	27.1	Very low	27.3	Very low	167 Å²	167	155.7 Å²	155.7	89%	0.893	84%	0.838	S	S	*	*			trans	-143.8	118.1	159	-134.8	5.8	0	0	0	110.3
79	E	23.4	Very low	27	Very low	144 Å²	144	155.8 Å²	155.8	67%	0.673	84%	0.839	S	S	*	*			trans	-82.8	127.7	-179.6	-61.3	-177.8	158.3	0	0	109.8
80	N	30	Very low	26.9	Very low	152 Å²	152	154.8 Å²	154.8	81%	0.813	84%	0.844	S	S	*	*				168.5	152.3	116.2	-92.2	-42.6	0	0	0	112.6
81	P	35.4	Very low	27	Very low	107 Å²	107	153 Å²	153	70%	0.695	84%	0.837	S	S	*	*			trans	-108.7	155.2	-152.6	38.4	-28.7	0	0	0	114.3
82	L	27.9	Very low	26.5	Very low	176 Å²	176	156.6 Å²	156.6	92%	0.921	84%	0.842	S	S	*	*			trans	-143	156.8	159.3	-94.2	121.1	0	0	0	110.2
83	P	31.1	Very low	26.5	Very low	110 Å²	110	153 Å²	153	71%	0.714	84%	0.838	S	S	*	*			trans	-106.4	146.2	-132.8	36.4	-31.1	0	0	0	116.1
84	K	22.8	Very low	26.1	Very low	216 Å²	216	154.1 Å²	154.1	94%	0.939	84%	0.84	S	S	*	*			trans	18.7	113.4	144.6	-60.3	-173.5	177.1	-173.8	0	118.6
85	G	26.6	Very low	26	Very low	78 Å²	78	153 Å²	153	80%	0.804	84%	0.839	S	S	*	*			trans	-131.6	139.7	153.9	0	0	0	0	0	109.1
86	E	26.9	Very low	26.2	Very low	203 Å²	203	154 Å²	154	95%	0.949	84%	0.838	S	S	*	*			trans	-77.5	157.1	-151.2	-68.9	167.9	145.2	0	0	117.1
87	E	22.9	Very low	26	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	84%	0.838	S	S	*	*			trans	-67.8	137.7	-177.6	-61.4	171.6	162.5	0	0	113.4
88	G	26.8	Very low	26.4	Very low	85 Å²	85	154.6 Å²	154.6	88%	0.876	84%	0.843	S	S	*	*			trans	-130.1	100.1	166.1	0	0	0	0	0	109.7
89	N	21.7	Very low	26.3	Very low	152 Å²	152	156.1 Å²	156.1	81%	0.813	84%	0.841	S	S	*	*			trans	-102.3	117.7	-170.3	-169.9	14.9	0	0	0	109.5
90	V	27.8	Very low	26.3	Very low	147 Å²	147	157 Å²	157	89%	0.891	85%	0.85	S	S	*	*			trans	-144.8	130.9	161.6	-177	0	0	0	0	111.4
91	S	26.2	Very low	26.2	Very low	101 Å²	101	155.6 Å²	155.6	71%	0.706	85%	0.846	S	S	*	*			trans	-70.6	151.2	-166.1	-173	0	0	0	0	115.7
92	Q	21.9	Very low	25.8	Very low	182 Å²	182	157.1 Å²	157.1	85%	0.85	85%	0.849	S	S	*	*			trans	-54.6	139.4	163.6	-65.2	171.7	-34.2	0	0	112.2
93	T	26.1	Very low	25.8	Very low	134 Å²	134	156 Å²	156	82%	0.822	84%	0.843	S	S	*	*			trans	-132.3	123.1	158.6	42.5	0	0	0	0	110.3
94	T	23.5	Very low	25.7	Very low	140 Å²	140	157.4 Å²	157.4	86%	0.859	85%	0.851	S	S	*	*			trans	-72.2	131.2	174.8	-14.9	0	0	0	0	109.9
95	L	26.9	Very low	25.8	Very low	165 Å²	165	154.1 Å²	154.1	86%	0.864	85%	0.848	S	S	*	*			trans	-142.3	145.2	164.6	-87.8	171.9	0	0	0	112.3
96	E	26	Very low	25.9	Very low	185 Å²	185	159.1 Å²	159.1	86%	0.864	85%	0.851	S	S	*	*			trans	-86.9	163.6	-152.7	-67.2	173.7	130.9	0	0	114.7
97	K	23.7	Very low	25.8	Very low	212 Å²	212	154.2 Å²	154.2	92%	0.922	84%	0.844	S	S	*	*			trans	-67.8	121.7	179.4	-64.7	171	176	177.6	0	111.3
98	E	29.3	Very low	26	Very low	196 Å²	196	151.4 Å²	151.4	92%	0.916	84%	0.841	S	S	*	*			trans	-116.3	150.4	164.2	-79.3	-165.1	150.3	0	0	113.1
99	K	26.3	Very low	25.9	Very low	199 Å²	199	157 Å²	157	87%	0.865	84%	0.84	S	S	*	*			trans	-83.2	145.8	-156.8	-88.5	168.9	169.2	171.6	0	113.8	V101	K99-V101 PolarHBondContact O-N 3.03Å
100	L	22.6	Very low	26.1	Very low	162 Å²	162	156.5 Å²	156.5	85%	0.848	84%	0.843	S	S	*	*			trans	-46.6	120.9	165.1	-148.2	80.4	0	0	0	112.7
101	V	28.6	Very low	26	Very low	123 Å²	123	158.2 Å²	158.2	75%	0.745	84%	0.841	S	S	*	*			trans	-114.2	119.9	167.7	176	0	0	0	0	108.6	K99	K99-V101 PolarHBondContact O-N 3.03Å
102	N	25.8	Very low	26	Very low	139 Å²	139	161.2 Å²	161.2	74%	0.743	84%	0.844	S	S	*	*			trans	-75.5	118.8	177	-74.5	-26.5	0	0	0	110.2
103	N	29.2	Very low	26.2	Very low	151 Å²	151	160.8 Å²	160.8	81%	0.807	85%	0.847	S	S	*	*			trans	-99.5	115.5	168.7	-82.1	-15.8	0	0	0	110.6
104	T	27.3	Very low	26.2	Very low	141 Å²	141	162.4 Å²	162.4	87%	0.865	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-74.5	134.4	168.8	32.1	0	0	0	0	111
105	V	26.7	Very low	26.1	Very low	146 Å²	146	164.7 Å²	164.7	89%	0.885	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-82.2	117.5	-179.6	177.4	0	0	0	0	110
106	E	27	Very low	26.2	Very low	184 Å²	184	161.4 Å²	161.4	86%	0.86	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-91.4	136.4	167.4	-87	-172.4	152.8	0	0	111.3
107	A	26.3	Very low	26	Very low	99 Å²	99	159.3 Å²	159.3	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.2	122.2	-175.9	0	0	0	0	0	112
108	V	26.8	Very low	26.3	Very low	137 Å²	137	155.7 Å²	155.7	83%	0.83	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-83.6	122.1	173	178.6	0	0	0	0	109.6
109	K	24.7	Very low	26.2	Very low	201 Å²	201	153.7 Å²	153.7	87%	0.874	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-74.6	132.1	172.8	-76.4	176.8	174.8	175.7	0	110.2
110	V	26.1	Very low	26.1	Very low	142 Å²	142	153.9 Å²	153.9	86%	0.861	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-91.8	116.9	174	179.7	0	0	0	0	108.2
111	E	25.3	Very low	26.2	Very low	183 Å²	183	157.8 Å²	157.8	86%	0.855	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-87.6	135.1	171.4	-86	-178.1	157.7	0	0	111.1
112	E	25.6	Very low	26	Very low	165 Å²	165	156.9 Å²	156.9	77%	0.771	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72.6	119.1	178.9	-67.1	178.2	151.4	0	0	111.4
113	N	26.9	Very low	26.1	Very low	172 Å²	172	156.2 Å²	156.2	92%	0.92	84%	0.837	S	S	*	*			trans	-98.1	113.7	162.8	-85.4	-24.8	0	0	0	109.9
114	K	25.2	Very low	26	Very low	168 Å²	168	155.4 Å²	155.4	73%	0.73	83%	0.832	S	S	*	*			trans	-90.9	152.3	172.9	-76.1	-179.5	178	173.3	0	111.3
115	E	23	Very low	26.1	Very low	188 Å²	188	155.4 Å²	155.4	88%	0.879	83%	0.832	S	S	*	*			trans	75.1	112.6	156	-75.6	171.5	165.4	0	0	119.6
116	A	27.4	Very low	25.9	Very low	97 Å²	97	154.5 Å²	154.5	80%	0.802	83%	0.827	S	S	*	*				-168	111.2	108.6	0	0	0	0	0	110.6
117	T	22.7	Very low	26	Very low	141 Å²	141	149 Å²	149	87%	0.865	82%	0.82	S	S	*	*			trans	-74	132.5	166.8	38.7	0	0	0	0	111.5
118	T	29	Very low	26.1	Very low	135 Å²	135	152.2 Å²	152.2	83%	0.828	82%	0.824	S	S	*	*			trans	-143.1	106.1	161.7	-2.2	0	0	0	0	112.6
119	N	27.5	Very low	26.1	Very low	154 Å²	154	153.4 Å²	153.4	82%	0.824	82%	0.824	S	S	*	*			trans	42.7	107.2	147	-85.6	-16.2	0	0	0	122.9
120	K	23.6	Very low	26.3	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	82%	0.818	S	S	*	*			trans	-16.6	134.6	136.7	-66.2	174.8	175.2	179.1	0	116.6
121	R	25.3	Very low	26.3	Very low	243 Å²	243	147.7 Å²	147.7	92%	0.917	82%	0.816	S	S	*	*			trans	-139.1	102.2	138.9	-146.2	174	-163	179.2	3.9	109.2
122	S	25.5	Very low	26.3	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	82%	0.817	S	S	*	*			trans	-80.9	133.4	171.5	-166.6	0	0	0	0	108.2
123	V	27.7	Very low	26.4	Very low	125 Å²	125	141.7 Å²	141.7	76%	0.758	82%	0.818	S	S	*	*			trans	-115.6	110.2	167.8	174.8	0	0	0	0	107
124	D	27.1	Very low	26.3	Very low	133 Å²	133	141.7 Å²	141.7	71%	0.711	81%	0.813	S	S	*	*			trans	-60.7	133.8	173	-84.9	-45.2	0	0	0	111.2
125	T	28.4	Very low	26.4	Very low	141 Å²	141	141.1 Å²	141.1	87%	0.865	82%	0.818	S	S	*	*			trans	-130	80.1	161.5	-1.1	0	0	0	0	108.1
126	T	24	Very low	26.6	Very low	127 Å²	127	140.9 Å²	140.9	78%	0.779	81%	0.814	S	S	*	*			trans	-87	107.8	167	47	0	0	0	0	109.1
127	G	28.6	Very low	26.5	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	81%	0.813	S	S	*	*			trans	-130	108.1	170.7	0	0	0	0	0	109.6
128	N	28	Very low	26.8	Very low	166 Å²	166	141.8 Å²	141.8	89%	0.888	81%	0.809	S	S	*	*			trans	-58.4	125.9	-171	-65.5	-40.2	0	0	0	113.8
129	I	27.6	Very low	26.6	Very low	161 Å²	161	143 Å²	143	83%	0.826	81%	0.809	S	S	*	*			trans	-91.7	111.4	165.1	-65	173.4	0	0	0	107.6
130	A	28.4	Very low	26.6	Very low	92 Å²	92	144 Å²	144	76%	0.76	81%	0.808	S	S	*	*			trans	-75	122.3	174.2	0	0	0	0	0	110.2
131	T	24.9	Very low	26.7	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	81%	0.806	S	S	*	*			trans	-82.6	119.6	173.3	47.3	0	0	0	0	110.8
132	T	26.2	Very low	26.9	Very low	143 Å²	143	136 Å²	136	88%	0.877	80%	0.802	S	S	*	*			trans	-151.1	132	160.8	46.1	0	0	0	0	110.3
133	G	27.5	Very low	27	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	81%	0.806	S	S	*	*			trans	117	82	159	0	0	0	0	0	114.8
134	Q	25	Very low	26.9	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	81%	0.806	S	S	*	*			trans	-64.4	124.2	163.2	-65.4	171.9	-65	0	0	109.4
135	D	28	Very low	27.1	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	81%	0.806	S	S	*	*			trans	-120.5	104.6	155.8	-115.4	-22	0	0	0	108.4	T137	D135-T137 PolarHBondContact O-N 3.09Å
136	K	25.5	Very low	27.1	Very low	182 Å²	182	140.3 Å²	140.3	79%	0.791	81%	0.807	S	S	*	*			trans	-83.3	99.8	173.1	-73.4	179.2	174	-178.9	0	107.5
137	T	27	Very low	27.2	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	81%	0.808	S	S	*	*			trans	-104.5	115	163.1	24.6	0	0	0	0	109.1	D135 I139	D135-T137 PolarHBondContact O-N 3.09Å; T137-I139 PolarHBondContact O-N 3Å
138	V	27.2	Very low	27.2	Very low	130 Å²	130	143.4 Å²	143.4	79%	0.788	81%	0.806	S	S	*	*			trans	-64.7	121.2	178.3	174.1	0	0	0	0	108.2	E140	V138-E140 PolarHBondContact O-N 2.76Å
139	I	25	Very low	27	Very low	161 Å²	161	140.2 Å²	140.2	83%	0.826	80%	0.803	S	S	*	*			trans	-83.6	100.5	171.3	-52.4	173.6	0	0	0	105.7	T137 E141	T137-I139 PolarHBondContact O-N 3Å; I139-E141 PolarHBondContact O-N 2.84Å
140	E	27.2	Very low	26.9	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	81%	0.807	S	S	*	*			trans	-69.5	123.4	166.3	-88.5	-177.5	151.4	0	0	108.8	V138 A142	V138-E140 PolarHBondContact O-N 2.76Å; E140-A142 PolarHBondContact O-N 3.49Å; E140-A142 VanDerWaalsContact O-N 3.14Å
141	E	27.1	Very low	26.7	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	81%	0.807	S	S	*	*			trans	-61.9	108.5	172.6	-70.2	178.8	152.7	0	0	109.5	I139 N143	I139-E141 PolarHBondContact O-N 2.84Å; E141-N143 PolarHBondContact O-N 3.41Å; E141-N143 VanDerWaalsContact O-N 3.14Å
142	A	29.2	Very low	26.7	Very low	101 Å²	101	144.1 Å²	144.1	84%	0.835	81%	0.807	S	S	*	*			trans	-71.3	104.9	172	0	0	0	0	0	109.1	E140 D144	E140-A142 PolarHBondContact O-N 3.49Å; E140-A142 VanDerWaalsContact O-N 3.14Å; A142-D144 PolarHBondContact O-N 2.82Å
143	N	27.2	Very low	26.7	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	80%	0.802	S	S	*	*			trans	-57.3	126	170.1	-77.7	-50.5	0	0	0	110.8	E141 P145	E141-N143 PolarHBondContact O-N 3.41Å; E141-N143 VanDerWaalsContact O-N 3.14Å; N143-P145 WeakPolarHBondContact O-CD 3.48Å
144	D	26.3	Very low	26.7	Very low	145 Å²	145	148.8 Å²	148.8	78%	0.775	80%	0.804	S	S	*	*			trans	-56.4	114.8	175.1	-171.9	8.6	0	0	0	111.2	A142 Q146	A142-D144 PolarHBondContact O-N 2.82Å; D144-Q146 PolarHBondContact O-N 2.96Å
145	P	30.6	Very low	27	Very low	107 Å²	107	150.1 Å²	150.1	70%	0.695	81%	0.81	S	S	*	*			trans	-74.9	111.2	176.5	27.4	-28.4	0	0	0	109.9	N143 I147	N143-P145 WeakPolarHBondContact O-CD 3.48Å; P145-I147 PolarHBondContact O-N 3.03Å
146	Q	28.2	Very low	27	Very low	191 Å²	191	151.1 Å²	151.1	89%	0.893	81%	0.81	S	S	*	*			trans	-40.3	112.5	168.8	-79.6	174.6	-15.8	0	0	111.5	D144 P148	D144-Q146 PolarHBondContact O-N 2.96Å; Q146-P148 VanDerWaalsContact O-CD 3.29Å; Q146-P148 WeakPolarHBondContact O-CD 3.45Å
147	I	27.6	Very low	27.2	Very low	157 Å²	157	148.6 Å²	148.6	81%	0.805	81%	0.805	S	S	*	*			trans	-64	115.2	174.6	-59.4	171.1	0	0	0	108.3	P145 A149	P145-I147 PolarHBondContact O-N 3.03Å; I147-A149 PolarHBondContact O-N 3.33Å
148	P	26.7	Very low	27.3	Very low	105 Å²	105	149.5 Å²	149.5	68%	0.682	80%	0.804	S	S	*	*			trans	-73.5	130.1	174.9	25	-23.8	0	0	0	109.6	Q146 M150	Q146-P148 VanDerWaalsContact O-CD 3.29Å; Q146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-M150 PolarHBondContact O-N 2.86Å
149	A	24.8	Very low	27.2	Very low	100 Å²	100	153.2 Å²	153.2	83%	0.826	80%	0.803	S	S	*	*			trans	-55.3	106.1	176.5	0	0	0	0	0	110.9	I147	I147-A149 PolarHBondContact O-N 3.33Å
150	M	26.1	Very low	27.3	Very low	182 Å²	182	153.6 Å²	153.6	90%	0.897	80%	0.802	S	S	*	*			trans	-82.6	117.3	170.6	-92.4	-172.5	-163.7	0	0	110.3	P148	P148-M150 PolarHBondContact O-N 2.86Å
151	T	24.4	Very low	27.5	Very low	125 Å²	125	150.9 Å²	150.9	77%	0.767	80%	0.799	S	S	*	*			trans	-54.5	128.8	172.4	-44.5	0	0	0	0	111.1	T153	T151-T153 PolarHBondContact O-N 2.04Å
152	I	24.8	Very low	27.6	Very low	159 Å²	159	150 Å²	150	82%	0.815	80%	0.798	S	S	*	*			trans	-61.7	96.9	175.9	-60.3	165.9	0	0	0	109
153	T	25.6	Very low	27.4	Very low	125 Å²	125	156.3 Å²	156.3	77%	0.767	80%	0.801	S	S	*	*			trans	-83.5	117.9	163.6	49.8	0	0	0	0	108.2	T151 E155	T151-T153 PolarHBondContact O-N 2.04Å; T153-E155 PolarHBondContact O-N 3.06Å
154	K	27.8	Very low	27.6	Very low	195 Å²	195	159.8 Å²	159.8	85%	0.848	80%	0.803	S	S	*	*			trans	-51.6	122.3	176	-65.7	176.4	176.8	178.4	0	109.7	E156	K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.11Å
155	E	30.2	Very low	27.7	Very low	201 Å²	201	160.9 Å²	160.9	94%	0.939	81%	0.808	S	S	*	*			trans	-58.5	110.8	170.8	-80.6	168.5	141.5	0	0	109.3	T153	T153-E155 PolarHBondContact O-N 3.06Å
156	E	29.1	Very low	27.7	Very low	177 Å²	177	161.3 Å²	161.3	83%	0.827	81%	0.809	S	S	*	*			trans	-77.1	133.2	164.8	-78.1	-178	155	0	0	109.4	K154 I158	K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.11Å; E156-I158 PolarHBondContact O-N 2.04Å
157	D	28.8	Very low	27.7	Very low	128 Å²	128	158 Å²	158	68%	0.684	80%	0.797	S	S	*	*			trans	-54.2	94.1	-178.3	-162.3	4.1	0	0	0	111.7	R159	D157-R159 VanDerWaalsContact C-N 3.26Å; D157-R159 PolarHBondContact O-N 3.49Å; D157-R159 IonicContact OD1-NE 3.89Å; D157-R159 IonicContact OD2-NE 2.83Å
158	I	29.5	Very low	27.8	Very low	147 Å²	147	161.6 Å²	161.6	75%	0.754	80%	0.801	S	S	*	*			trans	-76.9	79.3	173.4	-54.2	-179.9	0	0	0	108.8	E156 Q160	E156-I158 PolarHBondContact O-N 2.04Å; I158-Q160 HydrophobicContact CG2-CG 4.17Å
159	R	25.3	Very low	27.8	Very low	207 Å²	207	163.6 Å²	163.6	78%	0.781	80%	0.801	S	S	*	*			trans	-91.1	91.1	157.8	-71.6	-174.6	-163.2	-128.7	1.7	109	D157	D157-R159 VanDerWaalsContact C-N 3.26Å; D157-R159 PolarHBondContact O-N 3.49Å; D157-R159 IonicContact OD1-NE 3.89Å; D157-R159 IonicContact OD2-NE 2.83Å
160	Q	27.4	Very low	28.1	Very low	170 Å²	170	169.7 Å²	169.7	79%	0.794	80%	0.803	S	S	*	*			trans	-84.4	126.3	163	-75.8	-162.8	-12.6	0	0	110.1	I158	I158-Q160 HydrophobicContact CG2-CG 4.17Å
161	P	30.3	Very low	28.1	Very low	116 Å²	116	167.9 Å²	167.9	75%	0.753	80%	0.796	S	S	*	*			trans	-81.2	129.5	-175.9	31.3	-32.4	0	0	0	111.4	R163	P161-R163 PolarHBondContact O-N 3.19Å; P161-R163 VanDerWaalsContact O-N 3.1Å
162	I	29.2	Very low	28.6	Very low	160 Å²	160	169 Å²	169	82%	0.821	80%	0.803	S	S	*	*			trans	-56.8	109.8	173.3	-61.4	168.8	0	0	0	109	R164	I162-R164 PolarHBondContact O-N 3.41Å
163	R	26.6	Very low	28.8	Very low	234 Å²	234	169.9 Å²	169.9	88%	0.883	80%	0.803	S	S	*	*			trans	-67.9	111.9	168.5	-76.6	-171.1	176.8	-166.5	0.3	108.3	P161 D165	P161-R163 PolarHBondContact O-N 3.19Å; P161-R163 VanDerWaalsContact O-N 3.1Å; R163-D165 PolarHBondContact O-N 2.77Å
164	R	30	Very low	28.8	Very low	225 Å²	225	169.3 Å²	169.3	85%	0.849	81%	0.805	S	S	*	*			trans	-76.1	114.8	169.4	-73.7	179.6	173.8	149.4	-1.8	108.4	I162 V166	I162-R164 PolarHBondContact O-N 3.41Å; R164-V166 PolarHBondContact O-N 2.02Å
165	D	30.2	Very low	29	Very low	167 Å²	167	165.7 Å²	165.7	89%	0.893	80%	0.804	S	S	*	*			trans	-67.1	120.7	167.1	-80.6	-37.1	0	0	0	109.6	R163	R163-D165 PolarHBondContact O-N 2.77Å
166	V	30.3	Very low	28.7	Very low	117 Å²	117	161.7 Å²	161.7	71%	0.709	80%	0.798	S	S	*	*			trans	-99.3	138.5	-179.1	172.4	0	0	0	0	108.9	R164	R164-V166 PolarHBondContact O-N 2.02Å
167	N	27.6	Very low	28.8	Very low	121 Å²	121	158.7 Å²	158.7	65%	0.647	80%	0.797	S	S	*	*			trans	71.4	106.7	160.2	-82.9	-14.3	0	0	0	119.2
168	R	28.9	Very low	28.6	Very low	233 Å²	233	161.8 Å²	161.8	88%	0.879	81%	0.807	S	S	*	*				-137.6	94.3	121	-151.6	171.5	-169.9	-177.6	3.6	110.7
169	Q	27.9	Very low	28.7	Very low	146 Å²	146	163.8 Å²	163.8	68%	0.682	81%	0.813	S	S	*	*			trans	-56.9	134.2	167.2	-69.1	170.9	-40.6	0	0	110.3
170	R	29.8	Very low	28.7	Very low	229 Å²	229	160.1 Å²	160.1	86%	0.864	81%	0.814	S	S	*	*			trans	-132	107	151.8	-124.8	-173.6	-86.2	-169.3	-2.6	107.7
171	N	27.3	Very low	28.5	Very low	143 Å²	143	157.5 Å²	157.5	77%	0.765	82%	0.815	S	S	*	*			trans	-55.3	130.4	173.1	-64.7	-22.9	0	0	0	110.2
172	V	33.6	Very low	28.6	Very low	148 Å²	148	157.9 Å²	157.9	90%	0.897	82%	0.817	S	S	*	*			trans	-138.2	132.3	142.8	-177.4	0	0	0	0	107
173	E	29.1	Very low	28.5	Very low	178 Å²	178	159.3 Å²	159.3	83%	0.832	82%	0.82	S	S	*	*			trans	-70.7	154.4	-162.8	-69.8	159.8	146.2	0	0	114.2
174	S	26.3	Very low	28.7	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	82%	0.815	S	S	*	*			trans	-32.6	135.2	160.1	50.1	0	0	0	0	116.2
175	S	30.9	Very low	28.6	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	81%	0.814	S	S	*	*			trans	-144.4	121.8	130.7	61.5	0	0	0	0	110.1
176	S	25.1	Very low	28.6	Very low	117 Å²	117	148 Å²	148	82%	0.818	81%	0.806	S	S	*	*			trans	-73	133.5	169.2	49.4	0	0	0	0	110.4
177	S	31.7	Very low	28.4	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	81%	0.811	S	S	*	*			trans	-158.5	101.5	148.4	54.3	0	0	0	0	108.4
178	E	24.6	Very low	28.5	Very low	193 Å²	193	151.5 Å²	151.5	90%	0.902	82%	0.816	S	S	*	*			trans	-55.2	128.2	151.5	-70.1	162.4	135.9	0	0	107.8
179	E	30.4	Very low	28.3	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	80%	0.804	S	S	*	*			trans	-164.4	129.1	135.5	-108.8	172.1	-166	0	0	110.9
180	T	25.9	Very low	28.3	Very low	129 Å²	129	145.1 Å²	145.1	79%	0.791	81%	0.812	S	S	*	*			trans	-30.8	145.6	169.5	40.4	0	0	0	0	118.4
181	S	23	Very low	28.2	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	81%	0.807	S	S	*	*			trans	-32.6	148.9	163.8	-47.9	0	0	0	0	115.8
182	P	33.2	Very low	28.1	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	81%	0.808	S	S	*	*				-131.9	148.1	115.9	34.4	-24.1	0	0	0	113.3
183	E	26.7	Very low	27.8	Very low	191 Å²	191	141.3 Å²	141.3	89%	0.893	81%	0.809	S	S	*	*			trans	-50.9	138.3	169	-62.1	161.7	147	0	0	112.1
184	S	30.5	Very low	27.7	Very low	110 Å²	110	140 Å²	140	77%	0.769	80%	0.802	S	S	*	*			trans	-157.3	115.6	146.8	64.4	0	0	0	0	110.3
185	D	27.1	Very low	27.6	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	80%	0.804	S	S	*	*			trans	-47	127.3	168.4	-62.7	-62.4	0	0	0	113.2
186	V	31	Very low	27.4	Very low	121 Å²	121	140.2 Å²	140.2	73%	0.733	80%	0.798	S	S	*	*			trans	-139.6	91.2	143	-176.6	0	0	0	0	108.3	H188	V186-H188 WeakPolarHBondContact CG1-ND1 3.25Å; V186-H188 PolarHBondContact O-N 3.37Å
187	N	25.7	Very low	27.5	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	80%	0.803	S	S	*	*			trans	-69.3	115.4	165.8	-154.2	0.5	0	0	0	107.8
188	H	29.5	Very low	27.3	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.745	80%	0.8	S	S	*	*			trans	-115	87.3	163.6	-89.5	37.8	0	0	0	108	V186	V186-H188 WeakPolarHBondContact CG1-ND1 3.25Å; V186-H188 PolarHBondContact O-N 3.37Å
189	G	24.6	Very low	27.4	Very low	61 Å²	61	141.3 Å²	141.3	63%	0.629	80%	0.796	S	S	*	*			trans	-73	130.3	164.1	0	0	0	0	0	109.8
190	H	29.1	Very low	27.4	Very low	184 Å²	184	137.6 Å²	137.6	85%	0.852	79%	0.791	S	S	*	*			trans	-127.5	94.5	161.3	-93.2	27.2	0	0	0	109.2
191	G	26.3	Very low	27.4	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	80%	0.795	S	S	*	*				62.5	83.3	125.1	0	0	0	0	0	117.9	H193	G191-H193 PolarHBondContact O-N 3.48Å
192	H	25.3	Very low	27.8	Very low	173 Å²	173	137.2 Å²	137.2	80%	0.801	79%	0.794	S	S	*	*			trans	-66.2	119.3	149.2	-83	-75.6	0	0	0	109.6
193	H	28.3	Very low	27.7	Very low	195 Å²	195	136.7 Å²	136.7	90%	0.903	79%	0.793	S	S	*	*			trans	-97.4	100	161.4	-100.1	16.2	0	0	0	108.7	G191 G195	G191-H193 PolarHBondContact O-N 3.48Å; H193-G195 PolarHBondContact O-N 3.35Å
194	H	26.4	Very low	27.8	Very low	151 Å²	151	133 Å²	133	70%	0.699	79%	0.789	S	S	*	*			trans	-77.3	106.1	165.8	-78.9	-78.1	0	0	0	108.7	H196	H194-H196 PolarHBondContact O-N 3.18Å
195	G	25.1	Very low	27.8	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	78%	0.783	S	S	*	*			trans	-77	100.5	163.9	0	0	0	0	0	109.1	H193	H193-G195 PolarHBondContact O-N 3.35Å
196	H	26.7	Very low	27.8	Very low	156 Å²	156	134 Å²	134	72%	0.722	79%	0.786	S	S	*	*			trans	-63.1	129.4	160.8	-72.4	-91.6	0	0	0	108.7	H194	H194-H196 PolarHBondContact O-N 3.18Å
197	N	27	Very low	27.8	Very low	171 Å²	171	135.8 Å²	135.8	91%	0.914	79%	0.787	S	S	*	*			trans	-140.2	110.8	146.4	-132	3.8	0	0	0	108.3
198	E	27.3	Very low	28	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.743	79%	0.792	S	S	*	*			trans	-70.1	129.3	-176.9	-67.9	177.3	154.2	0	0	110	S200	E198-S200 PolarHBondContact O-N 3.18Å
199	S	26.7	Very low	28.3	Very low	117 Å²	117	139 Å²	139	82%	0.818	80%	0.797	S	S	*	*			trans	-13.1	114.7	143.2	35.8	0	0	0	0	115.4
200	S	29	Very low	28.6	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	80%	0.798	S	S	*	*			trans	-131.6	102	144.1	35.2	0	0	0	0	108.2	E198 S202	E198-S200 PolarHBondContact O-N 3.18Å; S200-S202 PolarHBondContact O-N 2.92Å
201	S	27.9	Very low	28.9	Very low	123 Å²	123	139.5 Å²	139.5	86%	0.86	80%	0.8	S	S	*	*			trans	-59.7	109.6	166	48.3	0	0	0	0	109.7
202	S	29.7	Very low	29.3	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	80%	0.799	S	S	*	*			trans	-98.2	111.2	163.3	50.2	0	0	0	0	108.5	S200 S204	S200-S202 PolarHBondContact O-N 2.92Å; S202-S204 PolarHBondContact O-N 3.23Å
203	S	31	Very low	30.3	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	80%	0.797	S	S	*	*			trans	-55.8	121.7	167.7	50	0	0	0	0	109.6	S205	S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.11Å
204	S	30.1	Very low	30.9	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	79%	0.789	S	S	*	*			trans	-68.1	97.3	167.3	52.8	0	0	0	0	109.5	S202	S202-S204 PolarHBondContact O-N 3.23Å
205	S	30	Very low	31.6	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	79%	0.794	S	S	*	*			trans	-77.1	113.2	155.6	48.7	0	0	0	0	107.1	S203 E207	S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.11Å; S205-E207 PolarHBondContact O-N 3.34Å
206	E	27.8	Very low	32.7	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	79%	0.793	S	S	*	*			trans	-63.4	86.5	165.5	-68.4	176.8	152.2	0	0	107.6	E208	E206-E208 PolarHBondContact O-N 3.03Å
207	E	30.7	Very low	34.1	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	79%	0.791	S	S	*	*			trans	-70.9	117	165.1	-80.5	-175.5	155	0	0	107.5	S205 H209	S205-E207 PolarHBondContact O-N 3.34Å; E207-H209 PolarHBondContact O-N 3.37Å
208	E	29.1	Very low	35.5	Very low	194 Å²	194	136 Å²	136	91%	0.907	79%	0.788	S	S	*	*			trans	-48.6	107.4	169.7	-73.5	-177.4	147.7	0	0	109.3	E206 G210	E206-E208 PolarHBondContact O-N 3.03Å; E208-G210 PolarHBondContact O-N 3.34Å
209	H	36.4	Very low	37.2	Very low	186 Å²	186	130.9 Å²	130.9	86%	0.861	77%	0.768	S	S	*	*			trans	-61.3	98	176.6	-77.7	-67.6	0	0	0	109.6	E207 H211	E207-H209 PolarHBondContact O-N 3.37Å; H209-H211 PolarHBondContact O-N 3.08Å
210	G	31.2	Very low	39.2	Very low	63 Å²	63	129.2 Å²	129.2	65%	0.649	76%	0.755	S	S	*	*			trans	-50.7	124.9	162.1	0	0	0	0	0	109	E208 H212	E208-G210 PolarHBondContact O-N 3.34Å; G210-H212 PolarHBondContact O-N 3.28Å
211	H	34	Very low	41.1	Very low	191 Å²	191	129.1 Å²	129.1	88%	0.884	75%	0.752	S	S	*	*			trans	-45.4	105	174.2	-97.5	55.4	0	0	0	110.1	H209 P213	H209-H211 PolarHBondContact O-N 3.08Å; H211-P213 VanDerWaalsContact O-CD 3.24Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å
212	H	36.3	Very low	43	Very low	160 Å²	160	124.1 Å²	124.1	74%	0.741	72%	0.716	S	S	*	*			trans	-84.2	105.2	170	-133.8	-75.2	0	0	0	107.2	G210 N214	G210-H212 PolarHBondContact O-N 3.28Å; H212-N214 VanDerWaalsContact C-N 3.25Å; H212-N214 PolarHBondContact O-N 3.47Å
213	P	44.6	Very low	44.8	Very low	116 Å²	116	120.1 Å²	120.1	75%	0.753	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	70.7	-173.4	34.3	-26.7	0	0	0	108.5	H211	H211-P213 VanDerWaalsContact O-CD 3.24Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å
214	N	42.3	Very low	46.3	Very low	138 Å²	138	121.4 Å²	121.4	74%	0.738	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.4	10	159.3	-115.6	-6.5	0	0	0	116.8	H212 T216	H212-N214 VanDerWaalsContact C-N 3.25Å; H212-N214 PolarHBondContact O-N 3.47Å; N214-T216 PolarHBondContact O-N 3.44Å
215	C	41.1	Very low	47.6	Very low	118 Å²	118	118.1 Å²	118.1	80%	0.797	66%	0.656	S	S	*	*			trans	-79	64.1	172.4	-61.9	0	0	0	0	110.9
216	T	47.6	Very low	48.4	Very low	132 Å²	132	118.2 Å²	118.2	81%	0.81	65%	0.646	S	S	*	*			trans	-98.7	10.6	171.5	54.1	0	0	0	0	112.6	N214 K218	N214-T216 PolarHBondContact O-N 3.44Å; T216-K218 PolarHBondContact O-N 3.05Å
217	G	55.4	Low	49.3	Very low	65 Å²	65	114.6 Å²	114.6	67%	0.67	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-78.7	117	175.1	0	0	0	0	0	111.4
218	K	57.7	Low	50	Low	196 Å²	196	108.2 Å²	108.2	85%	0.852	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-54.1	133.9	160.2	-175	179.7	179.6	-178.9	0	107.8	T216	T216-K218 PolarHBondContact O-N 3.05Å
219	P	62.7	Low	50.6	Low	52 Å²	52	103.5 Å²	103.5	34%	0.338	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-55.4	147.2	178.7	21.3	-32	0	0	0	110.6
220	P	69	Low	51.2	Low	82 Å²	82	96.8 Å²	96.8	53%	0.532	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-58.5	147.3	176.2	26	-33.5	0	0	0	109.8	W264	P220-W264 PolarHBondContact O-NE1 3.12Å
221	P	67.7	Low	52.1	Low	110 Å²	110	99.6 Å²	99.6	71%	0.714	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-59.8	153.8	178.2	27.2	-34.3	0	0	0	110.8
222	P	69	Low	53.2	Low	18 Å²	18	95 Å²	95	12%	0.117	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-57.9	151.7	171.9	24.7	-32.8	0	0	0	110.8	E224 R260 Q261 W264	P222-E224 PolarHBondContact O-N 3.32Å; P222-R260 HydrophobicContact CB-CG 4.3Å; P222-R260 HydrophobicContact CG-CG 4.47Å; P222-Q261 HydrophobicContact CG-CG 3.78Å; P222-W264 HydrophobicContact CB-CB 4.14Å; P222-W264 HydrophobicContact CB-CD2 3.63Å; P222-W264 HydrophobicContact CB-CE3 3.85Å; P222-W264 HydrophobicContact CB-CG 3.75Å; P222-W264 HydrophobicContact CG-CB 4.47Å; P222-W264 HydrophobicContact CG-CG 4.33Å
223	P	66.6	Low	55.1	Low	31 Å²	31	91.1 Å²	91.1	20%	0.201	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-51.3	138.8	174.2	-23.5	29.8	0	0	0	111.4	V225 W264 D277	P223-V225 PolarHBondContact O-N 3.44Å; P223-W264 VanDerWaalsContact CD-CZ3 3.45Å; P223-W264 HydrophobicContact CG-CH2 3.9Å; P223-W264 HydrophobicContact CG-CZ3 4.23Å; P223-D277 HydrophobicContact CB-CB 4.07Å
224	E	62.2	Low	57.2	Low	138 Å²	138	85.7 Å²	85.7	65%	0.645	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-63.6	134.1	170.9	-78.8	-172.7	-170.5	0	0	109.5	P222 H226	P222-E224 PolarHBondContact O-N 3.32Å; E224-H226 WeakPolarHBondContact CB-NE2 3.3Å; E224-H226 PolarHBondContact O-N 3.38Å; E224-H226 IonicContact OE2-CE1 2.59Å; E224-H226 PolarHBondContact OE2-CE1 3.49Å; E224-H226 IonicContact OE2-NE2 3.84Å; E224-H226 PolarHBondContact OE2-NE2 3.45Å
225	V	57	Low	59.6	Low	45 Å²	45	80.6 Å²	80.6	27%	0.273	47%	0.468	S	S	.	.			trans	-78.6	93.3	178.4	178.9	0	0	0	0	107.8	P223 V228 A442	P223-V225 PolarHBondContact O-N 3.44Å; V225-V228 HydrophobicContact CG1-CG2 3.32Å; V225-A442 HydrophobicContact CG1-CB 4.02Å; V225-A442 HydrophobicContact CG2-CB 3.93Å
226	H	48.1	Very low	62	Low	95 Å²	95	78.4 Å²	78.4	44%	0.44	45%	0.449	S	S	.	.			trans	-97.8	136.4	174	-62.7	-61.6	0	0	0	110.6	E224 V228	E224-H226 WeakPolarHBondContact CB-NE2 3.3Å; E224-H226 PolarHBondContact O-N 3.38Å; E224-H226 IonicContact OE2-CE1 2.59Å; E224-H226 PolarHBondContact OE2-CE1 3.49Å; E224-H226 IonicContact OE2-NE2 3.84Å; E224-H226 PolarHBondContact OE2-NE2 3.45Å; H226-V228 PolarHBondContact O-N 3.07Å
227	N	45.9	Very low	64.2	Low	116 Å²	116	73.2 Å²	73.2	62%	0.62	42%	0.416	S	S	*	.			trans	57.5	49.8	170.9	-61.6	-18.5	0	0	0	115.1	T229	N227-T229 HydrophobicContact CB-CG2 4.42Å; N227-T229 PolarHBondContact O-N 3.36Å
228	V	46.9	Very low	66	Low	27 Å²	27	70.1 Å²	70.1	16%	0.164	38%	0.384	C	S	.	.			trans	-66.9	88.6	153.7	179.9	0	0	0	0	105.8	V225 H226 N230 M283 P290 L291	V225-V228 HydrophobicContact CG1-CG2 3.32Å; H226-V228 PolarHBondContact O-N 3.07Å; V228-N230 PolarHBondContact O-N 3.37Å; V228-M283 HydrophobicContact CG1-CE 3.34Å; V228-M283 HydrophobicContact CG1-SD 4.01Å; V228-P290 HydrophobicContact CG1-CG 4.23Å; V228-L291 HydrophobicContact CG1-CD1 4.07Å; V228-L291 HydrophobicContact CG1-CD2 4.45Å; V228-L291 HydrophobicContact CG1-CG 4.12Å; V228-L291 HydrophobicContact CG2-CD2 4.38Å
229	T	40	Very low	67.8	Low	95 Å²	95	64.1 Å²	64.1	58%	0.583	36%	0.358	S	S	*	.			trans	-70.5	76	179.7	50.5	0	0	0	0	108.6	N227 P231 M283	N227-T229 HydrophobicContact CB-CG2 4.42Å; N227-T229 PolarHBondContact O-N 3.36Å; T229-P231 WeakPolarHBondContact O-CD 3.46Å; T229-M283 VanDerWaalsContact O-CE 3.26Å; T229-M283 WeakPolarHBondContact O-CE 3.48Å
230	N	50.2	Low	69.3	Low	44 Å²	44	67.2 Å²	67.2	24%	0.235	38%	0.375	C	S	.	.			trans	-83.9	115.8	154	-159.8	0.2	0	0	0	105.6	V228 D232 M283	V228-N230 PolarHBondContact O-N 3.37Å; N230-D232 VanDerWaalsContact CB-O 3.28Å; N230-D232 WeakPolarHBondContact CB-O 3.29Å; N230-D232 PolarHBondContact ND2-O 3.14Å; N230-D232 PolarHBondContact O-N 3.27Å; N230-D232 VanDerWaalsContact O-N 3.11Å; N230-D232 PolarHBondContact OD1-N 3.42Å; N230-M283 HydrophobicContact CB-CE 3.86Å; N230-M283 VanDerWaalsContact N-CE 3.34Å
231	P	49.9	Very low	70.4	Confident	122 Å²	122	66 Å²	66	79%	0.792	37%	0.367	S	S	*	.	S	Bend	trans	-57	-18.7	171.2	20.2	-29.4	0	0	0	112.4	T229	T229-P231 WeakPolarHBondContact O-CD 3.46Å
232	D	55.9	Low	71.7	Confident	95 Å²	95	62 Å²	62	51%	0.508	34%	0.338	S	S	.	.	S	Bend	trans	-111.8	120.9	174.9	-58.7	-46.7	0	0	0	110.4	N230 I234	N230-D232 VanDerWaalsContact CB-O 3.28Å; N230-D232 WeakPolarHBondContact CB-O 3.29Å; N230-D232 PolarHBondContact ND2-O 3.14Å; N230-D232 PolarHBondContact O-N 3.27Å; N230-D232 VanDerWaalsContact O-N 3.11Å; N230-D232 PolarHBondContact OD1-N 3.42Å; D232-I234 PolarHBondContact O-N 3.35Å
233	N	77.4	Confident	72.9	Confident	78 Å²	78	64.1 Å²	64.1	42%	0.417	36%	0.363	S	S	.	.			trans	-67.3	94.9	178.9	-177	4	0	0	0	109.7	W235 D236 E237	N233-W235 PolarHBondContact O-N 3.26Å; N233-W235 WeakPolarHBondContact OD1-CB 3.34Å; N233-W235 PolarHBondContact OD1-N 3.1Å; N233-D236 HydrophobicContact CB-CB 4.07Å; N233-D236 PolarHBondContact ND2-OD1 3.36Å; N233-D236 PolarHBondContact ND2-OD2 3.07Å; N233-D236 WeakPolarHBondContact O-CA 3.28Å; N233-D236 WeakPolarHBondContact O-CB 3.39Å; N233-D236 PolarHBondContact O-N 3.09Å; N233-E237 PolarHBondContact O-N 3.42Å; N233-E237 VanDerWaalsContact O-N 3.13Å
234	I	88.4	Confident	74.3	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-49.1	-35.8	177.9	-176.7	59.3	0	0	0	111.4	D232 D236 E237 L238 L291 L292 Y385	D232-I234 PolarHBondContact O-N 3.35Å; I234-D236 PolarHBondContact O-N 2.73Å; I234-E237 WeakPolarHBondContact O-CB 3.05Å; I234-E237 PolarHBondContact O-N 3.16Å; I234-L238 HydrophobicContact CD1-CD2 4.44Å; I234-L238 HydrophobicContact CD1-CG 4.41Å; I234-L238 HydrophobicContact CG1-CG 4.35Å; I234-L238 VanDerWaalsContact O-CG 3.31Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.44Å; I234-L291 HydrophobicContact CG2-CB 4.27Å; I234-L291 HydrophobicContact CG2-CD1 3.71Å; I234-L292 HydrophobicContact CD1-CD2 4.49Å; I234-L292 HydrophobicContact CG1-CD2 3.93Å; I234-L292 HydrophobicContact CG1-CG 4.47Å; I234-Y385 HydrophobicContact CD1-CE1 4.13Å
235	W	92	Very high	76	Confident	31 Å²	31	59.9 Å²	59.9	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-34.7	177.9	-52.8	113.2	0	0	0	113.1	N233 L238 K239 V249 Y252 K253 L291	N233-W235 PolarHBondContact O-N 3.26Å; N233-W235 WeakPolarHBondContact OD1-CB 3.34Å; N233-W235 PolarHBondContact OD1-N 3.1Å; W235-L238 HydrophobicContact CE3-CD1 3.92Å; W235-L238 HydrophobicContact CZ3-CD1 4.03Å; W235-K239 VanDerWaalsContact O-CE 3.26Å; W235-K239 WeakPolarHBondContact O-CE 3.33Å; W235-K239 WeakPolarHBondContact O-CG 3.18Å; W235-K239 PolarHBondContact O-N 2.97Å; W235-V249 HydrophobicContact CB-CG1 4.19Å; W235-V249 HydrophobicContact CD2-CG1 4.23Å; W235-V249 HydrophobicContact CE3-CG1 3.78Å; W235-V249 HydrophobicContact CG-CG1 4.43Å; W235-Y252 AromaticContact CH2-CD1 3.9Å; W235-Y252 HydrophobicContact CH2-CD1 3.9Å; W235-Y252 AromaticContact CZ3-CD1 3.95Å; W235-Y252 HydrophobicContact CZ3-CD1 3.95Å; W235-Y252 HydrophobicContact CZ3-CG 4.17Å; W235-K253 HydrophobicContact CD2-CD 4.43Å; W235-K253 HydrophobicContact CD2-CG 4.25Å; W235-K253 VanDerWaalsContact CE2-CE 3.44Å; W235-K253 HydrophobicContact CE3-CG 4.28Å; W235-K253 VanDerWaalsContact CG-CE 3.48Å; W235-K253 HydrophobicContact CH2-CG 3.69Å; W235-K253 HydrophobicContact CZ2-CD 4.46Å; W235-K253 HydrophobicContact CZ2-CG 3.63Å; W235-K253 HydrophobicContact CZ3-CG 4.01Å; W235-L291 HydrophobicContact CZ2-CB 3.93Å
236	D	92.5	Very high	77.8	Confident	72 Å²	72	63 Å²	63	39%	0.385	36%	0.361	S	S	.	.	H	α-helix	trans	-71.5	-36.5	173.7	-71.4	-24.4	0	0	0	111.4	N233 I234 K239 T240	N233-D236 HydrophobicContact CB-CB 4.07Å; N233-D236 PolarHBondContact ND2-OD1 3.36Å; N233-D236 PolarHBondContact ND2-OD2 3.07Å; N233-D236 WeakPolarHBondContact O-CA 3.28Å; N233-D236 WeakPolarHBondContact O-CB 3.39Å; N233-D236 PolarHBondContact O-N 3.09Å; I234-D236 PolarHBondContact O-N 2.73Å; D236-K239 PolarHBondContact O-N 2.91Å; D236-K239 WeakPolarHBondContact OD1-CE 3.47Å; D236-K239 IonicContact OD1-NZ 3.57Å; D236-K239 PolarHBondContact OD1-NZ 3.1Å; D236-T240 WeakPolarHBondContact O-CB 3.31Å; D236-T240 WeakPolarHBondContact O-CG2 3.48Å; D236-T240 PolarHBondContact O-N 3.48Å; D236-T240 PolarHBondContact O-OG1 3.07Å
237	E	92.9	Very high	80.1	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.112	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-45.5	172.6	-172.5	-178.4	165.9	0	0	111.6	N233 I234 K239 T240 V241 F242 G381 S382 Y385	N233-E237 PolarHBondContact O-N 3.42Å; N233-E237 VanDerWaalsContact O-N 3.13Å; I234-E237 WeakPolarHBondContact O-CB 3.05Å; I234-E237 PolarHBondContact O-N 3.16Å; E237-K239 PolarHBondContact O-N 2.74Å; E237-T240 PolarHBondContact O-N 2.89Å; E237-V241 HydrophobicContact CG-CB 3.95Å; E237-V241 HydrophobicContact CG-CG2 3.81Å; E237-V241 WeakPolarHBondContact O-CA 3.04Å; E237-V241 VanDerWaalsContact O-CB 3.3Å; E237-V241 WeakPolarHBondContact O-CB 3.47Å; E237-V241 PolarHBondContact O-N 2.93Å; E237-F242 HydrophobicContact CG-CD2 4.34Å; E237-F242 HydrophobicContact CG-CE2 4.15Å; E237-F242 PolarHBondContact O-N 2.78Å; E237-G381 WeakPolarHBondContact OE1-CA 3.36Å; E237-S382 PolarHBondContact OE1-N 2.73Å; E237-S382 WeakPolarHBondContact OE2-CB 3.47Å; E237-S382 PolarHBondContact OE2-N 3.11Å; E237-S382 VanDerWaalsContact OE2-N 3.17Å; E237-S382 PolarHBondContact OE2-OG 3.4Å; E237-Y385 PolarHBondContact OE1-OH 3.5Å; E237-Y385 PolarHBondContact OE2-OH 3.05Å
238	L	94.8	Very high	82.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-37.9	178.1	-68.3	-175.5	0	0	0	111.7	I234 W235 F242 G243 F244 L292 L298	I234-L238 HydrophobicContact CD1-CD2 4.44Å; I234-L238 HydrophobicContact CD1-CG 4.41Å; I234-L238 HydrophobicContact CG1-CG 4.35Å; I234-L238 VanDerWaalsContact O-CG 3.31Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.44Å; W235-L238 HydrophobicContact CE3-CD1 3.92Å; W235-L238 HydrophobicContact CZ3-CD1 4.03Å; L238-F242 HydrophobicContact CD2-CB 4.34Å; L238-F242 HydrophobicContact CD2-CD2 3.97Å; L238-F242 HydrophobicContact CD2-CG 4.13Å; L238-F242 CarbonylContact O-C 3.31Å; L238-F242 VanDerWaalsContact O-C 3.31Å; L238-F242 WeakPolarHBondContact O-CA 3.33Å; L238-F242 VanDerWaalsContact O-CB 3.32Å; L238-F242 WeakPolarHBondContact O-CB 3.39Å; L238-F242 PolarHBondContact O-N 3.38Å; L238-G243 PolarHBondContact O-N 3.21Å; L238-F244 HydrophobicContact CB-CB 4.27Å; L238-F244 HydrophobicContact CB-CD2 4.05Å; L238-F244 HydrophobicContact CB-CG 4.05Å; L238-F244 HydrophobicContact CD1-CD2 4.13Å; L238-F244 HydrophobicContact CD1-CE2 4.05Å; L238-F244 WeakPolarHBondContact O-CB 3.31Å; L238-F244 PolarHBondContact O-N 3.3Å; L238-L292 HydrophobicContact CD1-CD2 4.3Å; L238-L298 HydrophobicContact CD2-CD1 3.89Å; L238-L298 HydrophobicContact CD2-CD2 3.67Å; L238-L298 HydrophobicContact CD2-CG 4.44Å
239	K	95	Very high	84.9	Confident	70 Å²	70	59.8 Å²	59.8	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-70.4	-53.3	174.6	-67	177.2	-65.1	177.4	0	112.4	W235 D236 E237 G243 F244 D246 V249	W235-K239 VanDerWaalsContact O-CE 3.26Å; W235-K239 WeakPolarHBondContact O-CE 3.33Å; W235-K239 WeakPolarHBondContact O-CG 3.18Å; W235-K239 PolarHBondContact O-N 2.97Å; D236-K239 PolarHBondContact O-N 2.91Å; D236-K239 WeakPolarHBondContact OD1-CE 3.47Å; D236-K239 IonicContact OD1-NZ 3.57Å; D236-K239 PolarHBondContact OD1-NZ 3.1Å; E237-K239 PolarHBondContact O-N 2.74Å; K239-G243 WeakPolarHBondContact O-CA 3.46Å; K239-G243 PolarHBondContact O-N 3.04Å; K239-F244 WeakPolarHBondContact CA-O 2.99Å; K239-F244 WeakPolarHBondContact CG-O 2.98Å; K239-D246 WeakPolarHBondContact CD-OD1 3.46Å; K239-V249 HydrophobicContact CD-CG2 4.36Å; K239-V249 HydrophobicContact CG-CG2 3.79Å
240	T	93.3	Very high	87.6	Confident	116 Å²	116	60 Å²	60	71%	0.712	34%	0.339	S	S	*	.	H	α-helix	trans	-79.9	-32.7	-167.8	55.3	0	0	0	0	113.6	D236 E237	D236-T240 WeakPolarHBondContact O-CB 3.31Å; D236-T240 WeakPolarHBondContact O-CG2 3.48Å; D236-T240 PolarHBondContact O-N 3.48Å; D236-T240 PolarHBondContact O-OG1 3.07Å; E237-T240 PolarHBondContact O-N 2.89Å
241	V	92.9	Very high	89.8	Confident	58 Å²	58	60.4 Å²	60.4	35%	0.352	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-46.3	-176.4	-178.6	0	0	0	0	110.8	E237 I379 Q396	E237-V241 HydrophobicContact CG-CB 3.95Å; E237-V241 HydrophobicContact CG-CG2 3.81Å; E237-V241 WeakPolarHBondContact O-CA 3.04Å; E237-V241 VanDerWaalsContact O-CB 3.3Å; E237-V241 WeakPolarHBondContact O-CB 3.47Å; E237-V241 PolarHBondContact O-N 2.93Å; V241-I379 HydrophobicContact CG1-CD1 3.3Å; V241-Q396 VanDerWaalsContact O-CD 3.3Å; V241-Q396 PolarHBondContact O-NE2 2.6Å; V241-Q396 PolarHBondContact O-OE1 2.5Å
242	F	95	Very high	92	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.114	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-6.1	-175.9	-65.3	-99.3	0	0	0	114.1	E237 L238 F244 L298 I379 Y385 Q396	E237-F242 HydrophobicContact CG-CD2 4.34Å; E237-F242 HydrophobicContact CG-CE2 4.15Å; E237-F242 PolarHBondContact O-N 2.78Å; L238-F242 HydrophobicContact CD2-CB 4.34Å; L238-F242 HydrophobicContact CD2-CD2 3.97Å; L238-F242 HydrophobicContact CD2-CG 4.13Å; L238-F242 CarbonylContact O-C 3.31Å; L238-F242 VanDerWaalsContact O-C 3.31Å; L238-F242 WeakPolarHBondContact O-CA 3.33Å; L238-F242 VanDerWaalsContact O-CB 3.32Å; L238-F242 WeakPolarHBondContact O-CB 3.39Å; L238-F242 PolarHBondContact O-N 3.38Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 HydrophobicContact CB-CD1 3.88Å; F242-F244 HydrophobicContact CB-CE1 3.97Å; F242-F244 PolarHBondContact O-N 3.04Å; F242-L298 HydrophobicContact CD1-CD1 3.55Å; F242-L298 HydrophobicContact CE1-CD1 3.65Å; F242-L298 HydrophobicContact CG-CD1 4.15Å; F242-L298 HydrophobicContact CZ-CD1 4.34Å; F242-I379 HydrophobicContact CE1-CD1 4.38Å; F242-I379 HydrophobicContact CE2-CD1 4.02Å; F242-I379 HydrophobicContact CZ-CD1 3.69Å; F242-I379 HydrophobicContact CZ-CG1 4.45Å; F242-Y385 HydrophobicContact CE1-CD2 4.46Å; F242-Y385 HydrophobicContact CE1-CE2 4.16Å; F242-Y385 AromaticContact CE2-CE2 3.67Å; F242-Y385 HydrophobicContact CE2-CE2 3.67Å; F242-Y385 HydrophobicContact CZ-CD2 4.08Å; F242-Y385 AromaticContact CZ-CE2 3.4Å; F242-Y385 HydrophobicContact CZ-CE2 3.4Å; F242-Q396 HydrophobicContact CD1-CB 3.78Å; F242-Q396 HydrophobicContact CE1-CB 3.47Å; F242-Q396 VanDerWaalsContact CE1-CB 3.47Å; F242-Q396 HydrophobicContact CZ-CB 4.23Å
243	G	94.1	Very high	93.7	Very high	62 Å²	62	53.5 Å²	53.5	64%	0.639	29%	0.292	S	S	*	.			trans	72.6	22.3	175.2	0	0	0	0	0	114.5	L238 K239 S245	L238-G243 PolarHBondContact O-N 3.21Å; K239-G243 WeakPolarHBondContact O-CA 3.46Å; K239-G243 PolarHBondContact O-N 3.04Å; G243-S245 PolarHBondContact O-N 3.46Å
244	F	95.6	Very high	94.6	Very high	22 Å²	22	52.6 Å²	52.6	10%	0.096	30%	0.295	C	S	.	.			trans	-66.5	134.2	174.3	-75.5	32.4	0	0	0	108.9	L238 K239 F242 H248 V249 Y252 L298	L238-F244 HydrophobicContact CB-CB 4.27Å; L238-F244 HydrophobicContact CB-CD2 4.05Å; L238-F244 HydrophobicContact CB-CG 4.05Å; L238-F244 HydrophobicContact CD1-CD2 4.13Å; L238-F244 HydrophobicContact CD1-CE2 4.05Å; L238-F244 WeakPolarHBondContact O-CB 3.31Å; L238-F244 PolarHBondContact O-N 3.3Å; K239-F244 WeakPolarHBondContact CA-O 2.99Å; K239-F244 WeakPolarHBondContact CG-O 2.98Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 HydrophobicContact CB-CD1 3.88Å; F242-F244 HydrophobicContact CB-CE1 3.97Å; F242-F244 PolarHBondContact O-N 3.04Å; F244-H248 HydrophobicContact CB-CB 4.42Å; F244-H248 AromaticContact CD1-CE1 3.8Å; F244-H248 AromaticContact CD1-ND1 3.79Å; F244-H248 AromaticContact CD2-CD2 3.88Å; F244-H248 AromaticContact CD2-CE1 3.28Å; F244-H248 WeakPolarHBondContact CD2-CE1 2.99Å; F244-H248 AromaticContact CD2-CG 3.71Å; F244-H248 AromaticContact CD2-ND1 3.35Å; F244-H248 WeakPolarHBondContact CD2-ND1 3.04Å; F244-H248 AromaticContact CD2-NE2 3.61Å; F244-H248 AromaticContact CE1-CE1 3.65Å; F244-H248 AromaticContact CE2-CE1 3.13Å; F244-H248 WeakPolarHBondContact CE2-CE1 3.02Å; F244-H248 AromaticContact CE2-ND1 3.74Å; F244-H248 AromaticContact CE2-NE2 3.31Å; F244-H248 VanDerWaalsContact CE2-NE2 3.31Å; F244-H248 WeakPolarHBondContact CE2-NE2 3.23Å; F244-H248 AromaticContact CG-CE1 3.62Å; F244-H248 AromaticContact CG-ND1 3.38Å; F244-H248 WeakPolarHBondContact CG-ND1 3.46Å; F244-H248 AromaticContact CZ-CE1 3.32Å; F244-H248 WeakPolarHBondContact CZ-CE1 3.4Å; F244-H248 AromaticContact CZ-NE2 3.83Å; F244-V249 HydrophobicContact CB-CG2 3.89Å; F244-V249 HydrophobicContact CD2-CG2 4.36Å; F244-Y252 HydrophobicContact CE2-CD2 4.02Å; F244-Y252 HydrophobicContact CE2-CE2 4.32Å; F244-L298 HydrophobicContact CZ-CB 4.32Å
245	S	97.2	Very high	94.8	Very high	58 Å²	58	52.6 Å²	52.6	41%	0.406	30%	0.295	S	S	.	.			trans	-70.9	162.2	169.8	65.4	0	0	0	0	110.5	G243 E247 H248 V249	G243-S245 PolarHBondContact O-N 3.46Å; S245-E247 PolarHBondContact O-N 3.1Å; S245-H248 PolarHBondContact O-N 3.39Å; S245-H248 WeakPolarHBondContact OG-CB 3.45Å; S245-H248 PolarHBondContact OG-N 3.44Å; S245-V249 PolarHBondContact O-N 3.49Å
246	D	95.9	Very high	94.7	Very high	109 Å²	109	52 Å²	52	58%	0.583	29%	0.294	S	S	*	.	H	α-helix	trans	-58	-39.2	172	-69.4	-40.9	0	0	0	111.1	K239 H248 V249 D250	K239-D246 WeakPolarHBondContact CD-OD1 3.46Å; D246-H248 PolarHBondContact O-N 3.3Å; D246-V249 PolarHBondContact O-N 3.09Å; D246-D250 WeakPolarHBondContact O-CB 3.06Å; D246-D250 PolarHBondContact O-N 2.83Å
247	E	96.8	Very high	94.6	Very high	148 Å²	148	51.7 Å²	51.7	69%	0.692	29%	0.292	S	S	*	.	H	α-helix	trans	-61.1	-43.8	175.2	-176.2	176.1	-175.5	0	0	112.2	S245 D250 K251	S245-E247 PolarHBondContact O-N 3.1Å; E247-D250 PolarHBondContact O-N 3.1Å; E247-K251 WeakPolarHBondContact O-CB 3.2Å; E247-K251 PolarHBondContact O-N 3.3Å
248	H	97.1	Very high	94.5	Very high	19 Å²	19	53 Å²	53	9%	0.088	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-44.6	177.1	-178.5	-174	0	0	0	110.6	F244 S245 D246 D250 K251 Y252 L299 E301	F244-H248 HydrophobicContact CB-CB 4.42Å; F244-H248 AromaticContact CD1-CE1 3.8Å; F244-H248 AromaticContact CD1-ND1 3.79Å; F244-H248 AromaticContact CD2-CD2 3.88Å; F244-H248 AromaticContact CD2-CE1 3.28Å; F244-H248 WeakPolarHBondContact CD2-CE1 2.99Å; F244-H248 AromaticContact CD2-CG 3.71Å; F244-H248 AromaticContact CD2-ND1 3.35Å; F244-H248 WeakPolarHBondContact CD2-ND1 3.04Å; F244-H248 AromaticContact CD2-NE2 3.61Å; F244-H248 AromaticContact CE1-CE1 3.65Å; F244-H248 AromaticContact CE2-CE1 3.13Å; F244-H248 WeakPolarHBondContact CE2-CE1 3.02Å; F244-H248 AromaticContact CE2-ND1 3.74Å; F244-H248 AromaticContact CE2-NE2 3.31Å; F244-H248 VanDerWaalsContact CE2-NE2 3.31Å; F244-H248 WeakPolarHBondContact CE2-NE2 3.23Å; F244-H248 AromaticContact CG-CE1 3.62Å; F244-H248 AromaticContact CG-ND1 3.38Å; F244-H248 WeakPolarHBondContact CG-ND1 3.46Å; F244-H248 AromaticContact CZ-CE1 3.32Å; F244-H248 WeakPolarHBondContact CZ-CE1 3.4Å; F244-H248 AromaticContact CZ-NE2 3.83Å; S245-H248 PolarHBondContact O-N 3.39Å; S245-H248 WeakPolarHBondContact OG-CB 3.45Å; S245-H248 PolarHBondContact OG-N 3.44Å; D246-H248 PolarHBondContact O-N 3.3Å; H248-D250 PolarHBondContact O-N 3.32Å; H248-K251 PolarHBondContact O-N 3.5Å; H248-Y252 WeakPolarHBondContact O-CB 3.21Å; H248-Y252 PolarHBondContact O-N 2.86Å; H248-L299 PolarHBondContact NE2-O 3.19Å; H248-E301 HydrophobicContact CB-CG 4.06Å
249	V	96.2	Very high	94.2	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-45.2	175.9	167.8	0	0	0	0	111.7	W235 K239 F244 S245 D246 Y252 K253	W235-V249 HydrophobicContact CB-CG1 4.19Å; W235-V249 HydrophobicContact CD2-CG1 4.23Å; W235-V249 HydrophobicContact CE3-CG1 3.78Å; W235-V249 HydrophobicContact CG-CG1 4.43Å; K239-V249 HydrophobicContact CD-CG2 4.36Å; K239-V249 HydrophobicContact CG-CG2 3.79Å; F244-V249 HydrophobicContact CB-CG2 3.89Å; F244-V249 HydrophobicContact CD2-CG2 4.36Å; S245-V249 PolarHBondContact O-N 3.49Å; D246-V249 PolarHBondContact O-N 3.09Å; V249-Y252 WeakPolarHBondContact O-CB 3.32Å; V249-Y252 PolarHBondContact O-N 3.36Å; V249-K253 HydrophobicContact CG1-CD 4.17Å; V249-K253 WeakPolarHBondContact O-CG 3.36Å; V249-K253 PolarHBondContact O-N 2.86Å
250	D	96.3	Very high	93.8	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-41.5	179.4	-74	-15.6	0	0	0	111.6	D246 E247 H248 Y252 K253 A254	D246-D250 WeakPolarHBondContact O-CB 3.06Å; D246-D250 PolarHBondContact O-N 2.83Å; E247-D250 PolarHBondContact O-N 3.1Å; H248-D250 PolarHBondContact O-N 3.32Å; D250-Y252 VanDerWaalsContact C-N 3.29Å; D250-Y252 PolarHBondContact O-N 2.77Å; D250-K253 PolarHBondContact O-N 2.04Å; D250-A254 WeakPolarHBondContact O-CB 3.2Å; D250-A254 PolarHBondContact O-N 3.4Å
251	K	96.5	Very high	93.5	Very high	53 Å²	53	50.8 Å²	50.8	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-40.5	172.9	-175.7	175.8	-176.9	174.9	0	111.7	E247 H248 F255 E301 I304 D305	E247-K251 WeakPolarHBondContact O-CB 3.2Å; E247-K251 PolarHBondContact O-N 3.3Å; H248-K251 PolarHBondContact O-N 3.5Å; K251-F255 WeakPolarHBondContact O-CB 3.35Å; K251-F255 PolarHBondContact O-N 3.11Å; K251-E301 HydrophobicContact CD-CB 4.36Å; K251-E301 HydrophobicContact CD-CG 4.36Å; K251-E301 PolarHBondContact NZ-O 2.83Å; K251-I304 HydrophobicContact CD-CG2 4.43Å; K251-I304 HydrophobicContact CG-CD1 4.29Å; K251-I304 HydrophobicContact CG-CG2 3.94Å; K251-D305 WeakPolarHBondContact CE-OD1 3.41Å; K251-D305 IonicContact NZ-OD1 3.3Å; K251-D305 PolarHBondContact NZ-OD1 3.15Å; K251-D305 IonicContact NZ-OD2 2.72Å; K251-D305 PolarHBondContact NZ-OD2 2.76Å
252	Y	95.4	Very high	93.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-51.5	176.6	-156.8	-63.3	0	0	0	111.6	W235 F244 H248 V249 D250 A254 F255 M256 Y293 I297 L299 I304	W235-Y252 AromaticContact CH2-CD1 3.9Å; W235-Y252 HydrophobicContact CH2-CD1 3.9Å; W235-Y252 AromaticContact CZ3-CD1 3.95Å; W235-Y252 HydrophobicContact CZ3-CD1 3.95Å; W235-Y252 HydrophobicContact CZ3-CG 4.17Å; F244-Y252 HydrophobicContact CE2-CD2 4.02Å; F244-Y252 HydrophobicContact CE2-CE2 4.32Å; H248-Y252 WeakPolarHBondContact O-CB 3.21Å; H248-Y252 PolarHBondContact O-N 2.86Å; V249-Y252 WeakPolarHBondContact O-CB 3.32Å; V249-Y252 PolarHBondContact O-N 3.36Å; D250-Y252 VanDerWaalsContact C-N 3.29Å; D250-Y252 PolarHBondContact O-N 2.77Å; Y252-A254 PolarHBondContact O-N 3.18Å; Y252-F255 WeakPolarHBondContact O-CB 3.48Å; Y252-F255 PolarHBondContact O-N 2.98Å; Y252-M256 HydrophobicContact CD1-CG 3.6Å; Y252-M256 HydrophobicContact CD1-SD 4.43Å; Y252-M256 HydrophobicContact CE1-CG 3.52Å; Y252-M256 HydrophobicContact CE1-SD 3.79Å; Y252-M256 WeakPolarHBondContact O-CG 3.48Å; Y252-M256 PolarHBondContact O-N 2.85Å; Y252-Y293 VanDerWaalsContact OH-CB 3.32Å; Y252-Y293 WeakPolarHBondContact OH-CB 3.03Å; Y252-Y293 PolarHBondContact OH-N 2.81Å; Y252-Y293 VanDerWaalsContact OH-N 3.11Å; Y252-I297 PolarHBondContact OH-O 3.01Å; Y252-L299 HydrophobicContact CD2-CB 4.39Å; Y252-L299 HydrophobicContact CE2-CB 3.68Å; Y252-L299 HydrophobicContact CE2-CG 4.25Å; Y252-L299 VanDerWaalsContact CE2-N 3.32Å; Y252-L299 PolarHBondContact OH-N 3.19Å; Y252-I304 HydrophobicContact CD2-CD1 3.91Å; Y252-I304 HydrophobicContact CG-CD1 4.21Å
253	K	93.3	Very high	92.7	Very high	73 Å²	73	49 Å²	49	32%	0.317	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-47.9	178.4	-72.6	170.7	-179.1	169.9	0	111.5	W235 V249 D250 F255 M256 D257	W235-K253 HydrophobicContact CD2-CD 4.43Å; W235-K253 HydrophobicContact CD2-CG 4.25Å; W235-K253 VanDerWaalsContact CE2-CE 3.44Å; W235-K253 HydrophobicContact CE3-CG 4.28Å; W235-K253 VanDerWaalsContact CG-CE 3.48Å; W235-K253 HydrophobicContact CH2-CG 3.69Å; W235-K253 HydrophobicContact CZ2-CD 4.46Å; W235-K253 HydrophobicContact CZ2-CG 3.63Å; W235-K253 HydrophobicContact CZ3-CG 4.01Å; V249-K253 HydrophobicContact CG1-CD 4.17Å; V249-K253 WeakPolarHBondContact O-CG 3.36Å; V249-K253 PolarHBondContact O-N 2.86Å; D250-K253 PolarHBondContact O-N 2.04Å; K253-F255 VanDerWaalsContact C-N 3.27Å; K253-F255 PolarHBondContact O-N 3.22Å; K253-M256 PolarHBondContact O-N 3.44Å; K253-D257 PolarHBondContact O-N 3.22Å
254	A	94.9	Very high	92.1	Very high	58 Å²	58	46.7 Å²	46.7	48%	0.479	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-39.4	177.9	0	0	0	0	0	111.8	D250 Y252 K258	D250-A254 WeakPolarHBondContact O-CB 3.2Å; D250-A254 PolarHBondContact O-N 3.4Å; Y252-A254 PolarHBondContact O-N 3.18Å; A254-K258 WeakPolarHBondContact O-CB 3.44Å; A254-K258 PolarHBondContact O-N 2.86Å
255	F	93.8	Very high	91.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-49.2	174.3	176.2	-110.4	0	0	0	112.1	K251 Y252 K253 D257 K258 V259 Y293 L299 I304 L307 N308 I311	K251-F255 WeakPolarHBondContact O-CB 3.35Å; K251-F255 PolarHBondContact O-N 3.11Å; Y252-F255 WeakPolarHBondContact O-CB 3.48Å; Y252-F255 PolarHBondContact O-N 2.98Å; K253-F255 VanDerWaalsContact C-N 3.27Å; K253-F255 PolarHBondContact O-N 3.22Å; F255-D257 VanDerWaalsContact C-N 3.29Å; F255-D257 PolarHBondContact O-N 2.95Å; F255-K258 WeakPolarHBondContact O-CA 3.36Å; F255-K258 WeakPolarHBondContact O-CB 3.3Å; F255-K258 PolarHBondContact O-N 3.16Å; F255-V259 HydrophobicContact CD1-CG2 4.18Å; F255-V259 HydrophobicContact CD2-CG2 4.13Å; F255-V259 HydrophobicContact CE1-CG2 3.65Å; F255-V259 HydrophobicContact CE2-CG2 3.63Å; F255-V259 HydrophobicContact CG-CG2 4.4Å; F255-V259 HydrophobicContact CZ-CG2 3.33Å; F255-V259 WeakPolarHBondContact O-CG2 3.35Å; F255-V259 PolarHBondContact O-N 3.07Å; F255-Y293 AromaticContact CE1-CD2 3.82Å; F255-Y293 HydrophobicContact CE1-CD2 3.82Å; F255-Y293 AromaticContact CE1-CE2 3.94Å; F255-Y293 HydrophobicContact CE1-CE2 3.94Å; F255-Y293 HydrophobicContact CZ-CE2 4.24Å; F255-L299 HydrophobicContact CD1-CD1 3.69Å; F255-L299 HydrophobicContact CE1-CD1 3.39Å; F255-L299 HydrophobicContact CZ-CD1 4.44Å; F255-I304 HydrophobicContact CB-CG2 3.66Å; F255-I304 HydrophobicContact CD1-CG1 4.35Å; F255-I304 HydrophobicContact CD1-CG2 4.44Å; F255-I304 HydrophobicContact CD2-CG2 4.1Å; F255-I304 HydrophobicContact CG-CG2 3.8Å; F255-L307 HydrophobicContact CE1-CB 4.33Å; F255-L307 HydrophobicContact CE1-CD1 4.06Å; F255-L307 HydrophobicContact CE2-CB 3.73Å; F255-L307 HydrophobicContact CZ-CB 3.42Å; F255-L307 VanDerWaalsContact CZ-CB 3.42Å; F255-L307 HydrophobicContact CZ-CD1 3.88Å; F255-L307 HydrophobicContact CZ-CG 4.25Å; F255-N308 HydrophobicContact CD2-CB 4.49Å; F255-N308 WeakPolarHBondContact CD2-OD1 3.26Å; F255-I311 HydrophobicContact CE2-CD1 3.99Å; F255-I311 HydrophobicContact CZ-CD1 4.37Å
256	M	90	Very high	90.8	Very high	20 Å²	20	50.6 Å²	50.6	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-41.2	178.2	-68.1	-57.8	-68.1	0	0	112	Y252 K253 K258 V259 R260 L292 Y293	Y252-M256 HydrophobicContact CD1-CG 3.6Å; Y252-M256 HydrophobicContact CD1-SD 4.43Å; Y252-M256 HydrophobicContact CE1-CG 3.52Å; Y252-M256 HydrophobicContact CE1-SD 3.79Å; Y252-M256 WeakPolarHBondContact O-CG 3.48Å; Y252-M256 PolarHBondContact O-N 2.85Å; K253-M256 PolarHBondContact O-N 3.44Å; M256-K258 VanDerWaalsContact C-N 3.33Å; M256-K258 PolarHBondContact O-N 2.8Å; M256-V259 PolarHBondContact O-N 3.04Å; M256-R260 PolarHBondContact O-N 3.5Å; M256-L292 WeakPolarHBondContact CE-O 3.34Å; M256-Y293 HydrophobicContact SD-CD2 3.93Å; M256-Y293 HydrophobicContact SD-CG 4.46Å
257	D	90.6	Very high	90.1	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-39.9	173.7	-77	-22.6	0	0	0	112.2	K253 F255 R260 Q261	K253-D257 PolarHBondContact O-N 3.22Å; F255-D257 VanDerWaalsContact C-N 3.29Å; F255-D257 PolarHBondContact O-N 2.95Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 IonicContact OD1-CZ 3.08Å; D257-R260 IonicContact OD1-NH1 3.7Å; D257-R260 PolarHBondContact OD1-NH1 3.24Å; D257-R260 IonicContact OD1-NH2 2.8Å; D257-R260 PolarHBondContact OD1-NH2 3.32Å; D257-Q261 WeakPolarHBondContact O-CB 3.4Å; D257-Q261 VanDerWaalsContact O-CG 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.27Å; D257-Q261 PolarHBondContact O-N 3.1Å
258	K	90.9	Very high	89.3	Confident	51 Å²	51	42.6 Å²	42.6	22%	0.222	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-45	176.2	-174.2	-173.9	-178.9	176.7	0	112	A254 F255 M256 R260 Q261 Y262 N308 D312	A254-K258 WeakPolarHBondContact O-CB 3.44Å; A254-K258 PolarHBondContact O-N 2.86Å; F255-K258 WeakPolarHBondContact O-CA 3.36Å; F255-K258 WeakPolarHBondContact O-CB 3.3Å; F255-K258 PolarHBondContact O-N 3.16Å; M256-K258 VanDerWaalsContact C-N 3.33Å; M256-K258 PolarHBondContact O-N 2.8Å; K258-R260 VanDerWaalsContact C-N 3.29Å; K258-R260 PolarHBondContact O-N 3.41Å; K258-Q261 PolarHBondContact O-N 3.46Å; K258-Y262 VanDerWaalsContact O-CB 3.28Å; K258-Y262 WeakPolarHBondContact O-CB 3.37Å; K258-Y262 PolarHBondContact O-N 2.91Å; K258-N308 WeakPolarHBondContact CD-OD1 3.36Å; K258-N308 PolarHBondContact NZ-OD1 2.57Å; K258-D312 WeakPolarHBondContact CE-OD1 3.37Å; K258-D312 IonicContact NZ-OD1 3.84Å; K258-D312 PolarHBondContact NZ-OD1 3.44Å; K258-D312 IonicContact NZ-OD2 3.03Å; K258-D312 PolarHBondContact NZ-OD2 3.32Å
259	V	88.1	Confident	88.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-42.5	176.9	-175.1	0	0	0	0	110	F255 M256 Y262 R263 Y293 I311 G445 E448	F255-V259 HydrophobicContact CD1-CG2 4.18Å; F255-V259 HydrophobicContact CD2-CG2 4.13Å; F255-V259 HydrophobicContact CE1-CG2 3.65Å; F255-V259 HydrophobicContact CE2-CG2 3.63Å; F255-V259 HydrophobicContact CG-CG2 4.4Å; F255-V259 HydrophobicContact CZ-CG2 3.33Å; F255-V259 WeakPolarHBondContact O-CG2 3.35Å; F255-V259 PolarHBondContact O-N 3.07Å; M256-V259 PolarHBondContact O-N 3.04Å; V259-Y262 PolarHBondContact O-N 3.41Å; V259-R263 PolarHBondContact O-N 3.01Å; V259-Y293 HydrophobicContact CG2-CE2 4.45Å; V259-I311 HydrophobicContact CB-CD1 4.39Å; V259-I311 HydrophobicContact CG2-CD1 3.67Å; V259-G445 WeakPolarHBondContact CG1-O 3.25Å; V259-E448 HydrophobicContact CG1-CG 3.93Å
260	R	85.4	Confident	87.4	Confident	30 Å²	30	55.4 Å²	55.4	11%	0.113	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-50	174	-178.2	173.4	74.8	-113.8	-2.8	111.6	P222 M256 D257 K258 Y262 R263 W264 S441 V444	P222-R260 HydrophobicContact CB-CG 4.3Å; P222-R260 HydrophobicContact CG-CG 4.47Å; M256-R260 PolarHBondContact O-N 3.5Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 IonicContact OD1-CZ 3.08Å; D257-R260 IonicContact OD1-NH1 3.7Å; D257-R260 PolarHBondContact OD1-NH1 3.24Å; D257-R260 IonicContact OD1-NH2 2.8Å; D257-R260 PolarHBondContact OD1-NH2 3.32Å; K258-R260 VanDerWaalsContact C-N 3.29Å; K258-R260 PolarHBondContact O-N 3.41Å; R260-Y262 VanDerWaalsContact C-N 3.34Å; R260-Y262 PolarHBondContact O-N 3.45Å; R260-R263 PolarHBondContact O-N 2.58Å; R260-W264 VanDerWaalsContact O-CB 3.27Å; R260-W264 WeakPolarHBondContact O-CB 3.31Å; R260-W264 PolarHBondContact O-N 3.15Å; R260-S441 WeakPolarHBondContact CD-O 3.32Å; R260-V444 HydrophobicContact CG-CG1 4Å
261	Q	87	Confident	86.4	Confident	108 Å²	108	53 Å²	53	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-40.8	178.8	-74.6	174.8	51	0	0	112.4	P222 D257 K258 W264 S265	P222-Q261 HydrophobicContact CG-CG 3.78Å; D257-Q261 WeakPolarHBondContact O-CB 3.4Å; D257-Q261 VanDerWaalsContact O-CG 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.27Å; D257-Q261 PolarHBondContact O-N 3.1Å; K258-Q261 PolarHBondContact O-N 3.46Å; Q261-W264 PolarHBondContact O-N 3.5Å; Q261-S265 WeakPolarHBondContact O-CB 3.45Å; Q261-S265 PolarHBondContact O-N 3.46Å
262	Y	85.7	Confident	85.3	Confident	17 Å²	17	52.5 Å²	52.5	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-51.1	177.1	167.2	-106.1	0	0	0	111.2	K258 V259 R260 W264 S265 K266 I311 D314 I315 E448	K258-Y262 VanDerWaalsContact O-CB 3.28Å; K258-Y262 WeakPolarHBondContact O-CB 3.37Å; K258-Y262 PolarHBondContact O-N 2.91Å; V259-Y262 PolarHBondContact O-N 3.41Å; R260-Y262 VanDerWaalsContact C-N 3.34Å; R260-Y262 PolarHBondContact O-N 3.45Å; Y262-W264 PolarHBondContact O-N 2.86Å; Y262-S265 PolarHBondContact O-N 2.86Å; Y262-S265 PolarHBondContact O-OG 2.91Å; Y262-K266 VanDerWaalsContact CZ-CE 3.44Å; Y262-K266 VanDerWaalsContact CZ-NZ 3.29Å; Y262-K266 WeakPolarHBondContact OH-CE 3.46Å; Y262-K266 PolarHBondContact OH-NZ 3.14Å; Y262-I311 HydrophobicContact CD1-CG1 4.47Å; Y262-I311 HydrophobicContact CD1-CG2 4.34Å; Y262-I311 HydrophobicContact CD2-CG2 3.76Å; Y262-I311 HydrophobicContact CE2-CG2 4.23Å; Y262-I311 HydrophobicContact CG-CG2 3.78Å; Y262-D314 HydrophobicContact CE2-CB 4.34Å; Y262-D314 VanDerWaalsContact CE2-OD2 3.32Å; Y262-D314 WeakPolarHBondContact CE2-OD2 3.43Å; Y262-D314 VanDerWaalsContact CZ-OD2 3.3Å; Y262-D314 PolarHBondContact OH-OD2 3.32Å; Y262-I315 HydrophobicContact CD2-CD1 3.88Å; Y262-I315 HydrophobicContact CD2-CG1 3.63Å; Y262-I315 HydrophobicContact CE2-CG1 3.85Å; Y262-E448 HydrophobicContact CD1-CG 4.3Å; Y262-E448 WeakPolarHBondContact CD1-OE1 3.29Å; Y262-E448 VanDerWaalsContact CE1-CD 3.45Å; Y262-E448 HydrophobicContact CE1-CG 4.27Å; Y262-E448 WeakPolarHBondContact CE1-OE1 3.19Å
263	R	86.8	Confident	84.2	Confident	29 Å²	29	59.4 Å²	59.4	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-45.5	174.8	177.4	46.7	60.7	173.9	-2.7	111.5	V259 R260 S265 K266 L267 Y436 V444 E448	V259-R263 PolarHBondContact O-N 3.01Å; R260-R263 PolarHBondContact O-N 2.58Å; R263-S265 PolarHBondContact O-N 3.3Å; R263-K266 WeakPolarHBondContact O-CB 3.34Å; R263-K266 PolarHBondContact O-N 3.42Å; R263-L267 PolarHBondContact O-N 2.84Å; R263-Y436 HydrophobicContact CG-CD1 4.26Å; R263-Y436 HydrophobicContact CG-CE1 4.13Å; R263-Y436 VanDerWaalsContact CZ-CZ 3.44Å; R263-Y436 PolarHBondContact NH1-OH 2.82Å; R263-Y436 VanDerWaalsContact NH1-OH 3.11Å; R263-Y436 PolarHBondContact NH2-OH 2.87Å; R263-V444 HydrophobicContact CB-CG1 4.18Å; R263-V444 HydrophobicContact CG-CB 4.27Å; R263-V444 HydrophobicContact CG-CG1 4.01Å; R263-V444 HydrophobicContact CG-CG2 3.6Å; R263-E448 VanDerWaalsContact CB-OE1 3.25Å; R263-E448 WeakPolarHBondContact CB-OE1 3.41Å; R263-E448 IonicContact CZ-OE1 2.92Å; R263-E448 IonicContact CZ-OE2 3.65Å; R263-E448 IonicContact NE-OE1 2.8Å; R263-E448 PolarHBondContact NE-OE1 3.01Å; R263-E448 IonicContact NE-OE2 3.35Å; R263-E448 IonicContact NH2-OE1 3.82Å; R263-E448 PolarHBondContact NH2-OE1 3.18Å; R263-E448 IonicContact NH2-OE2 3.84Å; R263-E448 PolarHBondContact NH2-OE2 2.82Å
264	W	81.3	Confident	82.9	Confident	13 Å²	13	61.9 Å²	61.9	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-36.9	178.3	-171.7	-94	0	0	0	113	P220 P222 P223 R260 Q261 Y262 K266 L267 R272 I275	P220-W264 PolarHBondContact O-NE1 3.12Å; P222-W264 HydrophobicContact CB-CB 4.14Å; P222-W264 HydrophobicContact CB-CD2 3.63Å; P222-W264 HydrophobicContact CB-CE3 3.85Å; P222-W264 HydrophobicContact CB-CG 3.75Å; P222-W264 HydrophobicContact CG-CB 4.47Å; P222-W264 HydrophobicContact CG-CG 4.33Å; P223-W264 VanDerWaalsContact CD-CZ3 3.45Å; P223-W264 HydrophobicContact CG-CH2 3.9Å; P223-W264 HydrophobicContact CG-CZ3 4.23Å; R260-W264 VanDerWaalsContact O-CB 3.27Å; R260-W264 WeakPolarHBondContact O-CB 3.31Å; R260-W264 PolarHBondContact O-N 3.15Å; Q261-W264 PolarHBondContact O-N 3.5Å; Y262-W264 PolarHBondContact O-N 2.86Å; W264-K266 PolarHBondContact O-N 3.26Å; W264-L267 HydrophobicContact CE3-CD1 4.27Å; W264-L267 PolarHBondContact O-N 3.2Å; W264-R272 HydrophobicContact CD2-CG 4.19Å; W264-R272 VanDerWaalsContact CE2-CD 3.47Å; W264-R272 HydrophobicContact CH2-CB 4.18Å; W264-R272 HydrophobicContact CH2-CG 4.25Å; W264-R272 HydrophobicContact CZ2-CB 3.81Å; W264-R272 HydrophobicContact CZ2-CG 3.71Å; W264-R272 VanDerWaalsContact NE1-CD 3.25Å; W264-I275 HydrophobicContact CE3-CD1 4.35Å; W264-I275 HydrophobicContact CH2-CB 4.06Å; W264-I275 HydrophobicContact CH2-CG2 4.36Å; W264-I275 HydrophobicContact CZ3-CB 3.75Å; W264-I275 HydrophobicContact CZ3-CD1 3.88Å; W264-I275 HydrophobicContact CZ3-CG1 4.41Å; W264-I275 HydrophobicContact CZ3-CG2 3.73Å
265	S	83	Confident	81.5	Confident	67 Å²	67	59.5 Å²	59.5	47%	0.469	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-20.3	177.4	78.4	0	0	0	0	114	Q261 Y262 R263	Q261-S265 WeakPolarHBondContact O-CB 3.45Å; Q261-S265 PolarHBondContact O-N 3.46Å; Y262-S265 PolarHBondContact O-N 2.86Å; Y262-S265 PolarHBondContact O-OG 2.91Å; R263-S265 PolarHBondContact O-N 3.3Å
266	K	82.7	Confident	79.7	Confident	95 Å²	95	63.3 Å²	63.3	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-92.8	-13	179.5	-66.6	-171	169.6	-168.6	0	114.1	Y262 R263 W264 D314	Y262-K266 VanDerWaalsContact CZ-CE 3.44Å; Y262-K266 VanDerWaalsContact CZ-NZ 3.29Å; Y262-K266 WeakPolarHBondContact OH-CE 3.46Å; Y262-K266 PolarHBondContact OH-NZ 3.14Å; R263-K266 WeakPolarHBondContact O-CB 3.34Å; R263-K266 PolarHBondContact O-N 3.42Å; W264-K266 PolarHBondContact O-N 3.26Å; K266-D314 WeakPolarHBondContact CE-OD2 3.47Å; K266-D314 IonicContact NZ-OD2 3.36Å; K266-D314 PolarHBondContact NZ-OD2 3.15Å
267	L	79.9	Confident	78.2	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.037	31%	0.309	C	S	.	.	S	Bend	trans	-73.8	147.2	175.6	-61.6	176.9	0	0	0	109.7	R263 W264 E271 R272 I275 Y436	R263-L267 PolarHBondContact O-N 2.84Å; W264-L267 HydrophobicContact CE3-CD1 4.27Å; W264-L267 PolarHBondContact O-N 3.2Å; L267-E271 WeakPolarHBondContact CA-OE2 3.48Å; L267-E271 HydrophobicContact CB-CB 4.03Å; L267-E271 HydrophobicContact CD2-CB 4.38Å; L267-R272 HydrophobicContact CB-CG 3.93Å; L267-R272 PolarHBondContact O-NH1 2.72Å; L267-I275 HydrophobicContact CD1-CD1 3.29Å; L267-Y436 HydrophobicContact CD2-CD1 4.46Å; L267-Y436 HydrophobicContact CD2-CD2 4.2Å; L267-Y436 HydrophobicContact CD2-CG 3.83Å
268	D	81	Confident	76.2	Confident	83 Å²	83	67.2 Å²	67.2	44%	0.444	32%	0.315	S	S	.	.			trans	-75	172.7	169	75.3	42.6	0	0	0	111.4	K270 E271 R272	D268-K270 WeakPolarHBondContact OD1-CA 3.1Å; D268-K270 WeakPolarHBondContact OD1-CB 3.3Å; D268-K270 PolarHBondContact OD1-N 3.24Å; D268-E271 PolarHBondContact N-OE2 2.84Å; D268-E271 PolarHBondContact O-N 3.41Å; D268-E271 WeakPolarHBondContact OD1-CG 3.37Å; D268-E271 PolarHBondContact OD1-N 3.09Å; D268-R272 WeakPolarHBondContact O-CG 2.76Å; D268-R272 PolarHBondContact O-N 3.17Å
269	E	77.1	Confident	74	Confident	136 Å²	136	73.3 Å²	73.3	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-40	-179.3	-173.4	170.5	-158.5	0	0	112.7	E271 R272 E273	E269-E271 VanDerWaalsContact C-N 3.28Å; E269-E271 PolarHBondContact O-N 3.26Å; E269-R272 PolarHBondContact O-N 3.3Å; E269-E273 WeakPolarHBondContact O-CG 3.36Å; E269-E273 PolarHBondContact O-N 3.37Å
270	K	76.4	Confident	71.7	Confident	155 Å²	155	80.8 Å²	80.8	67%	0.674	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-32.8	178.4	-65.2	179.7	179.7	174.8	0	111.4	D268 K274	D268-K270 WeakPolarHBondContact OD1-CA 3.1Å; D268-K270 WeakPolarHBondContact OD1-CB 3.3Å; D268-K270 PolarHBondContact OD1-N 3.24Å; K270-K274 WeakPolarHBondContact O-CG 3.35Å
271	E	75.3	Confident	69.9	Low	48 Å²	48	80.8 Å²	80.8	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-70.6	-45.5	175.1	-70.5	-180	131.7	0	0	111	L267 D268 E269 E273 K274 I275 N437	L267-E271 WeakPolarHBondContact CA-OE2 3.48Å; L267-E271 HydrophobicContact CB-CB 4.03Å; L267-E271 HydrophobicContact CD2-CB 4.38Å; D268-E271 PolarHBondContact N-OE2 2.84Å; D268-E271 PolarHBondContact O-N 3.41Å; D268-E271 WeakPolarHBondContact OD1-CG 3.37Å; D268-E271 PolarHBondContact OD1-N 3.09Å; E269-E271 VanDerWaalsContact C-N 3.28Å; E269-E271 PolarHBondContact O-N 3.26Å; E271-E273 PolarHBondContact O-N 2.94Å; E271-K274 PolarHBondContact O-N 2.82Å; E271-I275 PolarHBondContact O-N 2.83Å; E271-N437 WeakPolarHBondContact CA-OD1 3.49Å; E271-N437 VanDerWaalsContact CB-OD1 3.26Å; E271-N437 WeakPolarHBondContact CB-OD1 3.35Å; E271-N437 WeakPolarHBondContact CG-OD1 3.44Å; E271-N437 PolarHBondContact O-OD1 3.34Å
272	R	73.9	Confident	67.9	Low	43 Å²	43	81.1 Å²	81.1	16%	0.162	38%	0.384	C	S	.	.	H	α-helix	trans	-60.8	-41.8	177.3	-76.1	-170	-68.6	-91.4	-7.5	113.3	W264 L267 D268 E269 K274 I275	W264-R272 HydrophobicContact CD2-CG 4.19Å; W264-R272 VanDerWaalsContact CE2-CD 3.47Å; W264-R272 HydrophobicContact CH2-CB 4.18Å; W264-R272 HydrophobicContact CH2-CG 4.25Å; W264-R272 HydrophobicContact CZ2-CB 3.81Å; W264-R272 HydrophobicContact CZ2-CG 3.71Å; W264-R272 VanDerWaalsContact NE1-CD 3.25Å; L267-R272 HydrophobicContact CB-CG 3.93Å; L267-R272 PolarHBondContact O-NH1 2.72Å; D268-R272 WeakPolarHBondContact O-CG 2.76Å; D268-R272 PolarHBondContact O-N 3.17Å; E269-R272 PolarHBondContact O-N 3.3Å; R272-K274 PolarHBondContact O-N 3.07Å; R272-I275 PolarHBondContact O-N 3.03Å
273	E	70.5	Confident	66.3	Low	145 Å²	145	81.5 Å²	81.5	68%	0.678	39%	0.387	S	S	*	.	H	α-helix	trans	-61.6	-28.1	178.6	-76.5	-177	166.7	0	0	113	E269 E271	E269-E273 WeakPolarHBondContact O-CG 3.36Å; E269-E273 PolarHBondContact O-N 3.37Å; E271-E273 PolarHBondContact O-N 2.94Å
274	K	67.7	Low	64.6	Low	125 Å²	125	81.9 Å²	81.9	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-81.7	-22.6	179.6	-70.8	174.7	-176.1	176.1	0	113.4	K270 E271 R272 V276 N437	K270-K274 WeakPolarHBondContact O-CG 3.35Å; E271-K274 PolarHBondContact O-N 2.82Å; R272-K274 PolarHBondContact O-N 3.07Å; K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 WeakPolarHBondContact O-CG2 3.46Å; K274-V276 PolarHBondContact O-N 2.96Å; K274-N437 HydrophobicContact CB-CB 4.16Å; K274-N437 HydrophobicContact CD-CB 4.1Å
275	I	64.8	Low	63.8	Low	9 Å²	9	83.4 Å²	83.4	5%	0.046	42%	0.419	C	S	.	.			trans	-80.6	81.1	176.6	-57.4	173.2	0	0	0	108.3	W264 L267 E271 R272 V444	W264-I275 HydrophobicContact CE3-CD1 4.35Å; W264-I275 HydrophobicContact CH2-CB 4.06Å; W264-I275 HydrophobicContact CH2-CG2 4.36Å; W264-I275 HydrophobicContact CZ3-CB 3.75Å; W264-I275 HydrophobicContact CZ3-CD1 3.88Å; W264-I275 HydrophobicContact CZ3-CG1 4.41Å; W264-I275 HydrophobicContact CZ3-CG2 3.73Å; L267-I275 HydrophobicContact CD1-CD1 3.29Å; E271-I275 PolarHBondContact O-N 2.83Å; R272-I275 PolarHBondContact O-N 3.03Å; I275-V444 HydrophobicContact CD1-CG2 4.43Å
276	V	56.2	Low	62.9	Low	81 Å²	81	82.1 Å²	82.1	49%	0.491	41%	0.413	S	S	.	.			trans	-77.4	144.4	173.2	-151.1	0	0	0	0	109.3	K274 Y278	K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 WeakPolarHBondContact O-CG2 3.46Å; K274-V276 PolarHBondContact O-N 2.96Å; V276-Y278 HydrophobicContact CB-CD2 4.11Å; V276-Y278 HydrophobicContact CB-CE2 3.78Å; V276-Y278 HydrophobicContact CG2-CE2 4.06Å; V276-Y278 VanDerWaalsContact O-CD2 3.25Å; V276-Y278 WeakPolarHBondContact O-CD2 3.01Å; V276-Y278 PolarHBondContact O-N 2.61Å
277	D	58.1	Low	62.4	Low	45 Å²	45	79.8 Å²	79.8	24%	0.241	40%	0.403	C	S	.	.			trans	-66.7	92.5	171.7	-179.4	32.8	0	0	0	110.3	P223 R279	P223-D277 HydrophobicContact CB-CB 4.07Å; D277-R279 PolarHBondContact O-N 2.89Å
278	Y	48.8	Very low	62.4	Low	122 Å²	122	79.9 Å²	79.9	48%	0.478	41%	0.406	S	S	.	.			trans	-82.2	112.3	177.8	-83.1	-88.7	0	0	0	110.3	V276 N280 I281 V477	V276-Y278 HydrophobicContact CB-CD2 4.11Å; V276-Y278 HydrophobicContact CB-CE2 3.78Å; V276-Y278 HydrophobicContact CG2-CE2 4.06Å; V276-Y278 VanDerWaalsContact O-CD2 3.25Å; V276-Y278 WeakPolarHBondContact O-CD2 3.01Å; V276-Y278 PolarHBondContact O-N 2.61Å; Y278-N280 VanDerWaalsContact C-N 3.25Å; Y278-N280 PolarHBondContact O-N 2.56Å; Y278-I281 VanDerWaalsContact O-CD1 3.29Å; Y278-I281 WeakPolarHBondContact O-CD1 3.45Å; Y278-I281 WeakPolarHBondContact O-CG1 3.17Å; Y278-V477 HydrophobicContact CD1-CG1 4.18Å; Y278-V477 HydrophobicContact CD2-CB 4.29Å; Y278-V477 HydrophobicContact CD2-CG1 3.18Å; Y278-V477 HydrophobicContact CD2-CG2 4.13Å; Y278-V477 HydrophobicContact CE1-CG1 4.14Å; Y278-V477 HydrophobicContact CE2-CB 4.49Å; Y278-V477 HydrophobicContact CE2-CG1 3.14Å; Y278-V477 HydrophobicContact CG-CG1 3.72Å
279	R	44.8	Very low	62.6	Low	179 Å²	179	76.5 Å²	76.5	68%	0.675	39%	0.388	S	S	*	.	S	Bend	trans	-72	-8.5	-178.7	-61.7	-179.4	-171.8	162.2	2.6	115.3	D277	D277-R279 PolarHBondContact O-N 2.89Å
280	N	39.4	Very low	63	Low	159 Å²	159	70.1 Å²	70.1	85%	0.85	36%	0.358	S	S	*	.			trans	-123.8	78	-176	-73.6	-20.9	0	0	0	109.9	Y278	Y278-N280 VanDerWaalsContact C-N 3.25Å; Y278-N280 PolarHBondContact O-N 2.56Å
281	I	47	Very low	63.5	Low	30 Å²	30	64.5 Å²	64.5	15%	0.154	34%	0.335	C	S	.	.			trans	-92.4	118.8	-177	-77.9	157	0	0	0	108.9	Y278 M283 M440	Y278-I281 VanDerWaalsContact O-CD1 3.29Å; Y278-I281 WeakPolarHBondContact O-CD1 3.45Å; Y278-I281 WeakPolarHBondContact O-CG1 3.17Å; I281-M283 HydrophobicContact CG2-CG 3.99Å; I281-M283 PolarHBondContact O-N 2.94Å; I281-M440 HydrophobicContact CB-CE 4.05Å; I281-M440 HydrophobicContact CB-SD 4.14Å; I281-M440 HydrophobicContact CD1-CE 3.81Å; I281-M440 HydrophobicContact CD1-CG 4.39Å; I281-M440 HydrophobicContact CD1-SD 4.45Å; I281-M440 HydrophobicContact CG1-CE 3.8Å; I281-M440 HydrophobicContact CG1-CG 3.96Å; I281-M440 HydrophobicContact CG1-SD 3.84Å; I281-M440 HydrophobicContact CG2-CE 3.12Å; I281-M440 HydrophobicContact CG2-SD 3.41Å; I281-M440 WeakPolarHBondContact CG2-SD 3.33Å
282	N	45.5	Very low	64.2	Low	116 Å²	116	62.2 Å²	62.2	62%	0.62	32%	0.324	S	S	*	.			trans	-82.1	108.7	161.8	-148	-8.8	0	0	0	106.1	G284 Y479	N282-G284 PolarHBondContact O-N 3.2Å; N282-Y479 HydrophobicContact CB-CE2 4.17Å; N282-Y479 PolarHBondContact O-OH 3.09Å
283	M	51.3	Low	65.1	Low	25 Å²	25	60.5 Å²	60.5	12%	0.123	32%	0.318	C	S	.	.			trans	-64.6	10.6	-162.1	-68.8	-160.9	-160.1	0	0	116.6	V228 T229 N230 I281 G288 P290 F475	V228-M283 HydrophobicContact CG1-CE 3.34Å; V228-M283 HydrophobicContact CG1-SD 4.01Å; T229-M283 VanDerWaalsContact O-CE 3.26Å; T229-M283 WeakPolarHBondContact O-CE 3.48Å; N230-M283 HydrophobicContact CB-CE 3.86Å; N230-M283 VanDerWaalsContact N-CE 3.34Å; I281-M283 HydrophobicContact CG2-CG 3.99Å; I281-M283 PolarHBondContact O-N 2.94Å; M283-G288 CarbonylContact O-C 3.25Å; M283-G288 VanDerWaalsContact O-C 3.25Å; M283-P290 HydrophobicContact CG-CG 4.45Å; M283-P290 HydrophobicContact SD-CG 4.38Å; M283-F475 WeakPolarHBondContact O-CE1 3.36Å
284	G	52.8	Low	66.1	Low	37 Å²	37	53.6 Å²	53.6	38%	0.381	29%	0.286	S	S	.	.	S	Bend	trans	88.3	8.6	-167.5	0	0	0	0	0	112.7	N282	N282-G284 PolarHBondContact O-N 3.2Å
285	G	62.9	Low	67.2	Low	45 Å²	45	47.8 Å²	47.8	46%	0.464	26%	0.261	S	S	.	.	S	Bend	trans	82.8	-161.5	-176.8	0	0	0	0	0	112.2	E287 G288	G285-E287 PolarHBondContact O-N 3.23Å; G285-G288 PolarHBondContact O-N 3.36Å
286	A	64.3	Low	68.6	Low	40 Å²	40	47.4 Å²	47.4	33%	0.331	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.5	179.4	0	0	0	0	0	113.6	C384 A401	A286-C384 VanDerWaalsContact C-SG 3.56Å; A286-C384 PolarHBondContact O-N 3.4Å; A286-C384 PolarHBondContact O-SG 3.48Å; A286-A401 VanDerWaalsContact CB-O 3.24Å; A286-A401 WeakPolarHBondContact CB-O 3.46Å
287	E	72.3	Confident	70.4	Confident	45 Å²	45	43.6 Å²	43.6	21%	0.21	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.4	-176.6	-65.8	-177.2	-173.3	0	0	113.4	G285 C384 T408 R498	G285-E287 PolarHBondContact O-N 3.23Å; E287-C384 HydrophobicContact CG-CB 4.29Å; E287-C384 WeakPolarHBondContact CG-SG 3.34Å; E287-T408 HydrophobicContact CG-CG2 4.31Å; E287-T408 PolarHBondContact OE1-OG1 2.86Å; E287-R498 WeakPolarHBondContact OE2-CG 3.47Å; E287-R498 IonicContact OE2-CZ 2.75Å; E287-R498 IonicContact OE2-NE 2.74Å; E287-R498 PolarHBondContact OE2-NE 2.96Å; E287-R498 IonicContact OE2-NH2 2.9Å
288	G	80.1	Confident	72.1	Confident	9 Å²	9	41.4 Å²	41.4	9%	0.093	23%	0.225	C	C	.	.			trans	-145.8	127.5	177.6	0	0	0	0	0	111.2	M283 G285	M283-G288 CarbonylContact O-C 3.25Å; M283-G288 VanDerWaalsContact O-C 3.25Å; G285-G288 PolarHBondContact O-N 3.36Å
289	N	86.1	Confident	74.3	Confident	12 Å²	12	35.6 Å²	35.6	6%	0.064	20%	0.202	C	C	.	.			trans	-129.8	112.1	172.1	-173.6	-26.7	0	0	0	109.2	L291 L292 G295	N289-L291 PolarHBondContact O-N 2.7Å; N289-L291 WeakPolarHBondContact OD1-CB 3.39Å; N289-L291 PolarHBondContact OD1-N 3.3Å; N289-L292 HydrophobicContact CB-CB 4.41Å; N289-L292 HydrophobicContact CB-CD1 4.08Å; N289-L292 HydrophobicContact CB-CG 3.98Å; N289-L292 PolarHBondContact O-N 2.73Å; N289-G295 WeakPolarHBondContact CA-O 3.43Å; N289-G295 PolarHBondContact N-O 3.11Å; N289-G295 WeakPolarHBondContact O-CA 3.43Å
290	P	84.3	Confident	76.6	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13	-176.7	28.7	-37	0	0	0	114	V228 M283 M440 A442 A443 F475	V228-P290 HydrophobicContact CG1-CG 4.23Å; M283-P290 HydrophobicContact CG-CG 4.45Å; M283-P290 HydrophobicContact SD-CG 4.38Å; P290-M440 HydrophobicContact CB-CE 3.9Å; P290-M440 HydrophobicContact CG-CE 3.97Å; P290-A442 HydrophobicContact CB-CB 4.12Å; P290-A443 HydrophobicContact CB-CB 4.13Å; P290-F475 HydrophobicContact CB-CD1 4.39Å; P290-F475 HydrophobicContact CB-CE1 4.41Å
291	L	86.2	Confident	79.1	Confident	36 Å²	36	24.1 Å²	24.1	19%	0.188	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.3	175.4	-58.3	178.7	0	0	0	113.1	V228 I234 W235 N289	V228-L291 HydrophobicContact CG1-CD1 4.07Å; V228-L291 HydrophobicContact CG1-CD2 4.45Å; V228-L291 HydrophobicContact CG1-CG 4.12Å; V228-L291 HydrophobicContact CG2-CD2 4.38Å; I234-L291 HydrophobicContact CG2-CB 4.27Å; I234-L291 HydrophobicContact CG2-CD1 3.71Å; W235-L291 HydrophobicContact CZ2-CB 3.93Å; N289-L291 PolarHBondContact O-N 2.7Å; N289-L291 WeakPolarHBondContact OD1-CB 3.39Å; N289-L291 PolarHBondContact OD1-N 3.3Å
292	L	91.5	Very high	81.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-90.2	154	173.8	-57.9	-174.9	0	0	0	110.1	I234 L238 M256 N289 E294 G295 L298 Y385 N446	I234-L292 HydrophobicContact CD1-CD2 4.49Å; I234-L292 HydrophobicContact CG1-CD2 3.93Å; I234-L292 HydrophobicContact CG1-CG 4.47Å; L238-L292 HydrophobicContact CD1-CD2 4.3Å; M256-L292 WeakPolarHBondContact CE-O 3.34Å; N289-L292 HydrophobicContact CB-CB 4.41Å; N289-L292 HydrophobicContact CB-CD1 4.08Å; N289-L292 HydrophobicContact CB-CG 3.98Å; N289-L292 PolarHBondContact O-N 2.73Å; L292-E294 PolarHBondContact O-N 2.83Å; L292-G295 PolarHBondContact O-N 3.25Å; L292-L298 HydrophobicContact CD1-CD2 3.89Å; L292-L298 HydrophobicContact CD2-CD2 3.63Å; L292-L298 HydrophobicContact CG-CD2 4.32Å; L292-Y385 HydrophobicContact CD1-CD1 3.61Å; L292-Y385 HydrophobicContact CD1-CD2 4.35Å; L292-Y385 HydrophobicContact CD1-CE1 4.28Å; L292-Y385 HydrophobicContact CD1-CG 3.68Å; L292-N446 PolarHBondContact O-ND2 2.87Å
293	Y	91.7	Very high	83.2	Confident	8 Å²	8	22.6 Å²	22.6	3%	0.031	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-69.2	131.7	-178.7	-177.2	-106.1	0	0	0	108	Y252 F255 M256 V259 G295 I297 L299 L307 W420	Y252-Y293 VanDerWaalsContact OH-CB 3.32Å; Y252-Y293 WeakPolarHBondContact OH-CB 3.03Å; Y252-Y293 PolarHBondContact OH-N 2.81Å; Y252-Y293 VanDerWaalsContact OH-N 3.11Å; F255-Y293 AromaticContact CE1-CD2 3.82Å; F255-Y293 HydrophobicContact CE1-CD2 3.82Å; F255-Y293 AromaticContact CE1-CE2 3.94Å; F255-Y293 HydrophobicContact CE1-CE2 3.94Å; F255-Y293 HydrophobicContact CZ-CE2 4.24Å; M256-Y293 HydrophobicContact SD-CD2 3.93Å; M256-Y293 HydrophobicContact SD-CG 4.46Å; V259-Y293 HydrophobicContact CG2-CE2 4.45Å; Y293-G295 PolarHBondContact O-N 3.02Å; Y293-I297 HydrophobicContact CD1-CB 4.27Å; Y293-I297 HydrophobicContact CD1-CD1 4.4Å; Y293-I297 HydrophobicContact CD1-CG2 4.25Å; Y293-I297 PolarHBondContact N-O 2.65Å; Y293-I297 WeakPolarHBondContact O-CA 3.44Å; Y293-I297 VanDerWaalsContact O-CB 3.22Å; Y293-I297 WeakPolarHBondContact O-CB 3.31Å; Y293-I297 PolarHBondContact O-N 3.46Å; Y293-L299 HydrophobicContact CD1-CD1 4.1Å; Y293-L299 HydrophobicContact CD1-CD2 3.92Å; Y293-L299 HydrophobicContact CD1-CG 4.23Å; Y293-L299 HydrophobicContact CD2-CD1 4.01Å; Y293-L299 HydrophobicContact CG-CD1 3.64Å; Y293-L299 HydrophobicContact CG-CD2 4.28Å; Y293-L299 HydrophobicContact CG-CG 4.08Å; Y293-L307 HydrophobicContact CE1-CD1 4.19Å; Y293-W420 AromaticContact CD1-CZ3 3.9Å; Y293-W420 HydrophobicContact CD1-CZ3 3.9Å; Y293-W420 HydrophobicContact CE1-CE3 4.21Å; Y293-W420 AromaticContact CE1-CZ3 3.58Å; Y293-W420 HydrophobicContact CE1-CZ3 3.58Å
294	E	91.6	Very high	85.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	32	-174.3	-60.5	-176.4	179.1	0	0	113.4	L292 D296 I297 H421 S424 N446 Y470	L292-E294 PolarHBondContact O-N 2.83Å; E294-D296 VanDerWaalsContact C-N 3.25Å; E294-D296 PolarHBondContact O-N 2.93Å; E294-D296 VanDerWaalsContact O-N 3.11Å; E294-I297 HydrophobicContact CB-CD1 4.08Å; E294-H421 WeakPolarHBondContact CB-ND1 3.46Å; E294-H421 PolarHBondContact O-CE1 3.35Å; E294-H421 IonicContact OE2-CE1 2.66Å; E294-H421 IonicContact OE2-CG 3.85Å; E294-H421 IonicContact OE2-ND1 3.68Å; E294-H421 PolarHBondContact OE2-ND1 3.19Å; E294-S424 WeakPolarHBondContact OE1-CB 3.3Å; E294-N446 PolarHBondContact N-OD1 3.11Å; E294-Y470 WeakPolarHBondContact CA-OH 3.23Å; E294-Y470 WeakPolarHBondContact CB-OH 3.48Å; E294-Y470 PolarHBondContact O-OH 3.1Å
295	G	91.3	Very high	86.9	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-37.6	172.2	0	0	0	0	0	115.8	N289 L292 Y293 N446	N289-G295 WeakPolarHBondContact CA-O 3.43Å; N289-G295 PolarHBondContact N-O 3.11Å; N289-G295 WeakPolarHBondContact O-CA 3.43Å; L292-G295 PolarHBondContact O-N 3.25Å; Y293-G295 PolarHBondContact O-N 3.02Å; G295-N446 PolarHBondContact N-ND2 2.83Å
296	D	93.6	Very high	87.9	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	7.1	-171.6	55	19	0	0	0	113.4	E294 C384 Y385 S386 H411 H415 H421 R498	E294-D296 VanDerWaalsContact C-N 3.25Å; E294-D296 PolarHBondContact O-N 2.93Å; E294-D296 VanDerWaalsContact O-N 3.11Å; D296-C384 WeakPolarHBondContact CB-O 3.37Å; D296-Y385 CarbonylContact O-C 3.54Å; D296-Y385 WeakPolarHBondContact O-CA 3.34Å; D296-Y385 WeakPolarHBondContact O-CB 3.4Å; D296-S386 PolarHBondContact O-N 3.42Å; D296-H411 IonicContact OD2-CD2 3.51Å; D296-H411 IonicContact OD2-NE2 2.72Å; D296-H411 PolarHBondContact OD2-NE2 2.93Å; D296-H411 VanDerWaalsContact OD2-NE2 3.09Å; D296-H415 IonicContact OD1-NE2 3.53Å; D296-H415 PolarHBondContact OD1-NE2 2.59Å; D296-H415 IonicContact OD2-NE2 3Å; D296-H421 IonicContact OD1-CE1 2.75Å; D296-H421 PolarHBondContact OD1-CE1 3.28Å; D296-H421 IonicContact OD1-NE2 2.81Å; D296-H421 PolarHBondContact OD1-NE2 2.72Å; D296-H421 IonicContact OD2-CE1 2.86Å; D296-H421 IonicContact OD2-NE2 3.14Å; D296-H421 PolarHBondContact OD2-NE2 2.94Å; D296-R498 IonicContact OD2-NH2 3.61Å
297	I	94.2	Very high	89	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.3	179.1	-62.2	174.8	0	0	0	110.7	Y252 Y293 E294 L299 S386 V388 W420	Y252-I297 PolarHBondContact OH-O 3.01Å; Y293-I297 HydrophobicContact CD1-CB 4.27Å; Y293-I297 HydrophobicContact CD1-CD1 4.4Å; Y293-I297 HydrophobicContact CD1-CG2 4.25Å; Y293-I297 PolarHBondContact N-O 2.65Å; Y293-I297 WeakPolarHBondContact O-CA 3.44Å; Y293-I297 VanDerWaalsContact O-CB 3.22Å; Y293-I297 WeakPolarHBondContact O-CB 3.31Å; Y293-I297 PolarHBondContact O-N 3.46Å; E294-I297 HydrophobicContact CB-CD1 4.08Å; I297-L299 HydrophobicContact CG2-CD2 3.81Å; I297-L299 HydrophobicContact CG2-CG 4.34Å; I297-S386 WeakPolarHBondContact CA-O 3.14Å; I297-V388 HydrophobicContact CB-CG2 4.45Å; I297-V388 HydrophobicContact CD1-CG2 3.88Å; I297-V388 HydrophobicContact CG1-CG2 4.03Å; I297-V388 HydrophobicContact CG2-CG2 3.65Å; I297-W420 HydrophobicContact CD1-CE3 3.59Å; I297-W420 HydrophobicContact CD1-CZ3 3.87Å; I297-W420 HydrophobicContact CG2-CZ3 4.16Å
298	L	95.3	Very high	89.7	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	104.4	168.2	-59.4	-170.6	0	0	0	111	L238 F242 F244 L292 Y385 S386 S387	L238-L298 HydrophobicContact CD2-CD1 3.89Å; L238-L298 HydrophobicContact CD2-CD2 3.67Å; L238-L298 HydrophobicContact CD2-CG 4.44Å; F242-L298 HydrophobicContact CD1-CD1 3.55Å; F242-L298 HydrophobicContact CE1-CD1 3.65Å; F242-L298 HydrophobicContact CG-CD1 4.15Å; F242-L298 HydrophobicContact CZ-CD1 4.34Å; F244-L298 HydrophobicContact CZ-CB 4.32Å; L292-L298 HydrophobicContact CD1-CD2 3.89Å; L292-L298 HydrophobicContact CD2-CD2 3.63Å; L292-L298 HydrophobicContact CG-CD2 4.32Å; L298-Y385 HydrophobicContact CD1-CD2 3.8Å; L298-Y385 HydrophobicContact CD1-CE2 4.28Å; L298-Y385 HydrophobicContact CD2-CD2 4.03Å; L298-Y385 HydrophobicContact CD2-CG 4.5Å; L298-Y385 HydrophobicContact CG-CD2 3.96Å; L298-S386 PolarHBondContact N-O 3.47Å; L298-S387 WeakPolarHBondContact CB-OG 2.92Å; L298-S387 VanDerWaalsContact O-CA 3.26Å; L298-S387 WeakPolarHBondContact O-CA 3.31Å; L298-S387 WeakPolarHBondContact O-CB 3.22Å; L298-S387 PolarHBondContact O-OG 3.29Å
299	L	93.6	Very high	90	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.			trans	-76.1	129.1	175.7	-56.8	173.9	0	0	0	113.6	H248 Y252 F255 Y293 I297 Q303 I304 L307 W420	H248-L299 PolarHBondContact NE2-O 3.19Å; Y252-L299 HydrophobicContact CD2-CB 4.39Å; Y252-L299 HydrophobicContact CE2-CB 3.68Å; Y252-L299 HydrophobicContact CE2-CG 4.25Å; Y252-L299 VanDerWaalsContact CE2-N 3.32Å; Y252-L299 PolarHBondContact OH-N 3.19Å; F255-L299 HydrophobicContact CD1-CD1 3.69Å; F255-L299 HydrophobicContact CE1-CD1 3.39Å; F255-L299 HydrophobicContact CZ-CD1 4.44Å; Y293-L299 HydrophobicContact CD1-CD1 4.1Å; Y293-L299 HydrophobicContact CD1-CD2 3.92Å; Y293-L299 HydrophobicContact CD1-CG 4.23Å; Y293-L299 HydrophobicContact CD2-CD1 4.01Å; Y293-L299 HydrophobicContact CG-CD1 3.64Å; Y293-L299 HydrophobicContact CG-CD2 4.28Å; Y293-L299 HydrophobicContact CG-CG 4.08Å; I297-L299 HydrophobicContact CG2-CD2 3.81Å; I297-L299 HydrophobicContact CG2-CG 4.34Å; L299-Q303 HydrophobicContact CB-CB 4.32Å; L299-Q303 HydrophobicContact CD2-CB 4.07Å; L299-I304 HydrophobicContact CB-CD1 4.3Å; L299-I304 HydrophobicContact CB-CG1 3.72Å; L299-I304 HydrophobicContact CD1-CG1 4.07Å; L299-L307 HydrophobicContact CD1-CD1 3.72Å; L299-L307 HydrophobicContact CD2-CD1 3.71Å; L299-L307 HydrophobicContact CG-CD1 4.38Å; L299-W420 HydrophobicContact CD2-CH2 3.79Å; L299-W420 HydrophobicContact CD2-CZ3 4.08Å
300	S	92.8	Very high	89.8	Confident	22 Å²	22	26.9 Å²	26.9	15%	0.154	14%	0.137	C	C	.	.			trans	-68.5	160.3	162.2	62.8	0	0	0	0	111.6	N302 Q303 I304	S300-N302 PolarHBondContact O-N 3.28Å; S300-Q303 WeakPolarHBondContact O-CB 3.34Å; S300-Q303 PolarHBondContact O-N 2.8Å; S300-Q303 WeakPolarHBondContact OG-CG 3.31Å; S300-Q303 PolarHBondContact OG-N 3.32Å; S300-Q303 PolarHBondContact OG-OE1 2.89Å; S300-I304 WeakPolarHBondContact O-CG1 3.5Å; S300-I304 PolarHBondContact O-N 2.75Å
301	E	92.1	Very high	89.8	Confident	74 Å²	74	27.4 Å²	27.4	35%	0.346	14%	0.139	S	C	.	.	H	α-helix	trans	-55.5	-39.9	177.8	-63.2	-170.6	121.9	0	0	113.1	H248 K251 I304 D305	H248-E301 HydrophobicContact CB-CG 4.06Å; K251-E301 HydrophobicContact CD-CB 4.36Å; K251-E301 HydrophobicContact CD-CG 4.36Å; K251-E301 PolarHBondContact NZ-O 2.83Å; E301-I304 WeakPolarHBondContact O-CB 3.33Å; E301-I304 PolarHBondContact O-N 3.23Å; E301-D305 VanDerWaalsContact O-CG 3.31Å; E301-D305 PolarHBondContact O-N 3.33Å
302	N	89.2	Confident	89.8	Confident	93 Å²	93	28.7 Å²	28.7	50%	0.497	15%	0.146	S	C	.	.	H	α-helix	trans	-67.4	-39.5	177.3	-177.4	45.1	0	0	0	111.7	S300 I304 D305 I306	S300-N302 PolarHBondContact O-N 3.28Å; N302-I304 VanDerWaalsContact C-N 3.33Å; N302-D305 PolarHBondContact O-N 3.42Å; N302-I306 WeakPolarHBondContact O-CD1 3.47Å; N302-I306 WeakPolarHBondContact O-CG1 3.33Å; N302-I306 PolarHBondContact O-N 3.29Å
303	Q	89.7	Confident	89.3	Confident	21 Å²	21	29.6 Å²	29.6	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.4	-75.3	164.4	-45.6	0	0	111.3	L299 S300 D305 I306 L307 V388	L299-Q303 HydrophobicContact CB-CB 4.32Å; L299-Q303 HydrophobicContact CD2-CB 4.07Å; S300-Q303 WeakPolarHBondContact O-CB 3.34Å; S300-Q303 PolarHBondContact O-N 2.8Å; S300-Q303 WeakPolarHBondContact OG-CG 3.31Å; S300-Q303 PolarHBondContact OG-N 3.32Å; S300-Q303 PolarHBondContact OG-OE1 2.89Å; Q303-D305 VanDerWaalsContact C-N 3.33Å; Q303-D305 PolarHBondContact O-N 3.06Å; Q303-I306 PolarHBondContact O-N 2.68Å; Q303-L307 WeakPolarHBondContact O-CB 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.38Å; Q303-L307 PolarHBondContact O-N 3.45Å; Q303-V388 PolarHBondContact NE2-O 3.07Å
304	I	91.8	Very high	88.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-45.9	173.7	-67.7	165.8	0	0	0	110.5	K251 Y252 F255 L299 S300 E301 N302 I306 L307 N308	K251-I304 HydrophobicContact CD-CG2 4.43Å; K251-I304 HydrophobicContact CG-CD1 4.29Å; K251-I304 HydrophobicContact CG-CG2 3.94Å; Y252-I304 HydrophobicContact CD2-CD1 3.91Å; Y252-I304 HydrophobicContact CG-CD1 4.21Å; F255-I304 HydrophobicContact CB-CG2 3.66Å; F255-I304 HydrophobicContact CD1-CG1 4.35Å; F255-I304 HydrophobicContact CD1-CG2 4.44Å; F255-I304 HydrophobicContact CD2-CG2 4.1Å; F255-I304 HydrophobicContact CG-CG2 3.8Å; L299-I304 HydrophobicContact CB-CD1 4.3Å; L299-I304 HydrophobicContact CB-CG1 3.72Å; L299-I304 HydrophobicContact CD1-CG1 4.07Å; S300-I304 WeakPolarHBondContact O-CG1 3.5Å; S300-I304 PolarHBondContact O-N 2.75Å; E301-I304 WeakPolarHBondContact O-CB 3.33Å; E301-I304 PolarHBondContact O-N 3.23Å; N302-I304 VanDerWaalsContact C-N 3.33Å; I304-I306 PolarHBondContact O-N 2.87Å; I304-L307 PolarHBondContact O-N 3.01Å; I304-N308 VanDerWaalsContact CG2-ND2 3.28Å; I304-N308 WeakPolarHBondContact CG2-ND2 3.01Å; I304-N308 WeakPolarHBondContact O-CB 3.36Å; I304-N308 PolarHBondContact O-N 3.13Å; I304-N308 PolarHBondContact O-ND2 3.36Å
305	D	90.3	Very high	88.2	Confident	78 Å²	78	35.1 Å²	35.1	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-63	-42.8	-180	-69.6	-28.6	0	0	0	112.6	K251 E301 N302 Q303 N308 K309	K251-D305 WeakPolarHBondContact CE-OD1 3.41Å; K251-D305 IonicContact NZ-OD1 3.3Å; K251-D305 PolarHBondContact NZ-OD1 3.15Å; K251-D305 IonicContact NZ-OD2 2.72Å; K251-D305 PolarHBondContact NZ-OD2 2.76Å; E301-D305 VanDerWaalsContact O-CG 3.31Å; E301-D305 PolarHBondContact O-N 3.33Å; N302-D305 PolarHBondContact O-N 3.42Å; Q303-D305 VanDerWaalsContact C-N 3.33Å; Q303-D305 PolarHBondContact O-N 3.06Å; D305-N308 PolarHBondContact O-N 3.47Å; D305-K309 WeakPolarHBondContact O-CB 3.29Å; D305-K309 PolarHBondContact O-N 2.86Å
306	I	84.7	Confident	87.9	Confident	63 Å²	63	40.4 Å²	40.4	32%	0.323	21%	0.208	S	C	.	.	H	α-helix	trans	-66.9	-47.6	179.3	-59.1	163.1	0	0	0	110.1	N302 Q303 I304 N308 K309 V310 V321 L323	N302-I306 WeakPolarHBondContact O-CD1 3.47Å; N302-I306 WeakPolarHBondContact O-CG1 3.33Å; N302-I306 PolarHBondContact O-N 3.29Å; Q303-I306 PolarHBondContact O-N 2.68Å; I304-I306 PolarHBondContact O-N 2.87Å; I306-N308 VanDerWaalsContact C-N 3.34Å; I306-N308 PolarHBondContact O-N 2.85Å; I306-K309 PolarHBondContact O-N 2.97Å; I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 3.35Å; I306-V310 VanDerWaalsContact O-N 3.07Å; I306-V321 HydrophobicContact CG2-CG1 4.33Å; I306-L323 HydrophobicContact CB-CD1 4.15Å; I306-L323 HydrophobicContact CG2-CD1 3.16Å
307	L	86.2	Confident	87.1	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-39.1	177.9	-72.2	169	0	0	0	112.1	F255 Y293 L299 Q303 I304 K309 V310 I311 L323 W420	F255-L307 HydrophobicContact CE1-CB 4.33Å; F255-L307 HydrophobicContact CE1-CD1 4.06Å; F255-L307 HydrophobicContact CE2-CB 3.73Å; F255-L307 HydrophobicContact CZ-CB 3.42Å; F255-L307 VanDerWaalsContact CZ-CB 3.42Å; F255-L307 HydrophobicContact CZ-CD1 3.88Å; F255-L307 HydrophobicContact CZ-CG 4.25Å; Y293-L307 HydrophobicContact CE1-CD1 4.19Å; L299-L307 HydrophobicContact CD1-CD1 3.72Å; L299-L307 HydrophobicContact CD2-CD1 3.71Å; L299-L307 HydrophobicContact CG-CD1 4.38Å; Q303-L307 WeakPolarHBondContact O-CB 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.38Å; Q303-L307 PolarHBondContact O-N 3.45Å; I304-L307 PolarHBondContact O-N 3.01Å; L307-K309 VanDerWaalsContact C-N 3.35Å; L307-K309 PolarHBondContact O-N 3.13Å; L307-V310 WeakPolarHBondContact O-CB 3.28Å; L307-V310 PolarHBondContact O-N 3.15Å; L307-I311 WeakPolarHBondContact O-CG1 3.36Å; L307-I311 PolarHBondContact O-N 2.94Å; L307-I311 VanDerWaalsContact O-N 3.07Å; L307-L323 HydrophobicContact CD2-CD1 4.31Å; L307-L323 HydrophobicContact CD2-CD2 3.38Å; L307-L323 HydrophobicContact CD2-CG 4.45Å; L307-L323 HydrophobicContact CG-CD2 4.35Å; L307-W420 HydrophobicContact CD1-CH2 4.33Å
308	N	88.3	Confident	86.1	Confident	30 Å²	30	47 Å²	47	16%	0.16	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-49.3	173.8	-98.5	-48.9	0	0	0	111.8	F255 K258 I304 D305 I306 V310 I311 D312	F255-N308 HydrophobicContact CD2-CB 4.49Å; F255-N308 WeakPolarHBondContact CD2-OD1 3.26Å; K258-N308 WeakPolarHBondContact CD-OD1 3.36Å; K258-N308 PolarHBondContact NZ-OD1 2.57Å; I304-N308 VanDerWaalsContact CG2-ND2 3.28Å; I304-N308 WeakPolarHBondContact CG2-ND2 3.01Å; I304-N308 WeakPolarHBondContact O-CB 3.36Å; I304-N308 PolarHBondContact O-N 3.13Å; I304-N308 PolarHBondContact O-ND2 3.36Å; D305-N308 PolarHBondContact O-N 3.47Å; I306-N308 VanDerWaalsContact C-N 3.34Å; I306-N308 PolarHBondContact O-N 2.85Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.09Å; N308-I311 PolarHBondContact O-N 3.34Å; N308-D312 PolarHBondContact O-N 2.62Å
309	K	85.4	Confident	84.6	Confident	110 Å²	110	53.8 Å²	53.8	48%	0.478	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-39.6	-179.8	-176.8	177.3	175.1	-166.4	0	111.7	D305 I306 L307 I311 D312 E313 V321	D305-K309 WeakPolarHBondContact O-CB 3.29Å; D305-K309 PolarHBondContact O-N 2.86Å; I306-K309 PolarHBondContact O-N 2.97Å; L307-K309 VanDerWaalsContact C-N 3.35Å; L307-K309 PolarHBondContact O-N 3.13Å; K309-I311 VanDerWaalsContact C-N 3.34Å; K309-I311 PolarHBondContact O-N 2.88Å; K309-D312 PolarHBondContact O-N 3.23Å; K309-E313 WeakPolarHBondContact CE-OE1 3.46Å; K309-E313 HydrophobicContact CG-CG 4.49Å; K309-E313 WeakPolarHBondContact O-CB 3.19Å; K309-E313 WeakPolarHBondContact O-CG 3.42Å; K309-E313 PolarHBondContact O-N 3.24Å; K309-V321 HydrophobicContact CD-CG2 3.82Å; K309-V321 VanDerWaalsContact CE-CG2 3.46Å; K309-V321 HydrophobicContact CG-CG2 4.2Å
310	V	82	Confident	83	Confident	13 Å²	13	64 Å²	64	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-45.3	175.7	166.5	0	0	0	0	111.4	I306 L307 N308 E313 D314 V321 L323 T451	I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 3.35Å; I306-V310 VanDerWaalsContact O-N 3.07Å; L307-V310 WeakPolarHBondContact O-CB 3.28Å; L307-V310 PolarHBondContact O-N 3.15Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.09Å; V310-E313 PolarHBondContact O-N 3.13Å; V310-D314 PolarHBondContact O-N 2.94Å; V310-V321 HydrophobicContact CG2-CB 3.99Å; V310-V321 HydrophobicContact CG2-CG1 3.61Å; V310-L323 HydrophobicContact CG2-CB 4.35Å; V310-L323 HydrophobicContact CG2-CD1 4.23Å; V310-T451 HydrophobicContact CG1-CG2 3.2Å; V310-T451 WeakPolarHBondContact CG1-OG1 3.36Å
311	I	83.8	Confident	81.2	Confident	15 Å²	15	64.5 Å²	64.5	8%	0.077	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-45.5	176.6	-70	173.3	0	0	0	110.7	F255 V259 Y262 L307 N308 K309 E313 D314 I315	F255-I311 HydrophobicContact CE2-CD1 3.99Å; F255-I311 HydrophobicContact CZ-CD1 4.37Å; V259-I311 HydrophobicContact CB-CD1 4.39Å; V259-I311 HydrophobicContact CG2-CD1 3.67Å; Y262-I311 HydrophobicContact CD1-CG1 4.47Å; Y262-I311 HydrophobicContact CD1-CG2 4.34Å; Y262-I311 HydrophobicContact CD2-CG2 3.76Å; Y262-I311 HydrophobicContact CE2-CG2 4.23Å; Y262-I311 HydrophobicContact CG-CG2 3.78Å; L307-I311 WeakPolarHBondContact O-CG1 3.36Å; L307-I311 PolarHBondContact O-N 2.94Å; L307-I311 VanDerWaalsContact O-N 3.07Å; N308-I311 PolarHBondContact O-N 3.34Å; K309-I311 VanDerWaalsContact C-N 3.34Å; K309-I311 PolarHBondContact O-N 2.88Å; I311-E313 VanDerWaalsContact C-N 3.31Å; I311-E313 PolarHBondContact O-N 3.44Å; I311-D314 PolarHBondContact O-N 3.09Å; I311-I315 HydrophobicContact CG2-CD1 3.71Å; I311-I315 HydrophobicContact CG2-CG1 4.33Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.16Å; I311-I315 PolarHBondContact O-N 3.3Å
312	D	85.9	Confident	79.4	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.332	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-39.7	178.8	-69.7	-31.2	0	0	0	112.1	K258 N308 K309 I315 N316	K258-D312 WeakPolarHBondContact CE-OD1 3.37Å; K258-D312 IonicContact NZ-OD1 3.84Å; K258-D312 PolarHBondContact NZ-OD1 3.44Å; K258-D312 IonicContact NZ-OD2 3.03Å; K258-D312 PolarHBondContact NZ-OD2 3.32Å; N308-D312 PolarHBondContact O-N 2.62Å; K309-D312 PolarHBondContact O-N 3.23Å; D312-I315 PolarHBondContact O-N 2.78Å; D312-N316 VanDerWaalsContact O-CB 3.23Å; D312-N316 WeakPolarHBondContact O-CB 3.12Å; D312-N316 PolarHBondContact O-N 3.13Å; D312-N316 PolarHBondContact O-ND2 3.1Å
313	E	81.4	Confident	77.6	Confident	19 Å²	19	62.5 Å²	62.5	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-37.5	176.5	-75.5	-179.2	-178.7	0	0	112.5	K309 V310 I311 G317 T318 R320 V321	K309-E313 WeakPolarHBondContact CE-OE1 3.46Å; K309-E313 HydrophobicContact CG-CG 4.49Å; K309-E313 WeakPolarHBondContact O-CB 3.19Å; K309-E313 WeakPolarHBondContact O-CG 3.42Å; K309-E313 PolarHBondContact O-N 3.24Å; V310-E313 PolarHBondContact O-N 3.13Å; I311-E313 VanDerWaalsContact C-N 3.31Å; I311-E313 PolarHBondContact O-N 3.44Å; E313-G317 CarbonylContact O-C 3.59Å; E313-G317 PolarHBondContact O-N 3.3Å; E313-T318 PolarHBondContact O-N 3.24Å; E313-R320 WeakPolarHBondContact OE2-CA 3.36Å; E313-R320 PolarHBondContact OE2-N 2.76Å; E313-V321 VanDerWaalsContact OE1-CG2 3.31Å; E313-V321 WeakPolarHBondContact OE1-CG2 3.4Å; E313-V321 WeakPolarHBondContact OE2-CB 3.36Å; E313-V321 PolarHBondContact OE2-N 3.21Å
314	D	79.8	Confident	75.7	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.16	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-44.4	173.7	-173.3	84	0	0	0	111.5	Y262 K266 V310 I311 N316 G317 K319	Y262-D314 HydrophobicContact CE2-CB 4.34Å; Y262-D314 VanDerWaalsContact CE2-OD2 3.32Å; Y262-D314 WeakPolarHBondContact CE2-OD2 3.43Å; Y262-D314 VanDerWaalsContact CZ-OD2 3.3Å; Y262-D314 PolarHBondContact OH-OD2 3.32Å; K266-D314 WeakPolarHBondContact CE-OD2 3.47Å; K266-D314 IonicContact NZ-OD2 3.36Å; K266-D314 PolarHBondContact NZ-OD2 3.15Å; V310-D314 PolarHBondContact O-N 2.94Å; I311-D314 PolarHBondContact O-N 3.09Å; D314-N316 VanDerWaalsContact C-N 3.3Å; D314-N316 PolarHBondContact O-N 2.91Å; D314-G317 PolarHBondContact O-N 2.83Å; D314-G317 VanDerWaalsContact O-N 3.17Å; D314-K319 WeakPolarHBondContact OD1-CE 3.47Å; D314-K319 IonicContact OD1-NZ 3.64Å; D314-K319 PolarHBondContact OD1-NZ 3.32Å
315	I	81.1	Confident	73.7	Confident	95 Å²	95	62.2 Å²	62.2	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-44	175.1	-69.2	170	0	0	0	110.9	Y262 I311 D312 G317	Y262-I315 HydrophobicContact CD2-CD1 3.88Å; Y262-I315 HydrophobicContact CD2-CG1 3.63Å; Y262-I315 HydrophobicContact CE2-CG1 3.85Å; I311-I315 HydrophobicContact CG2-CD1 3.71Å; I311-I315 HydrophobicContact CG2-CG1 4.33Å; I311-I315 VanDerWaalsContact O-CG1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.16Å; I311-I315 PolarHBondContact O-N 3.3Å; D312-I315 PolarHBondContact O-N 2.78Å; I315-G317 VanDerWaalsContact C-N 3.28Å; I315-G317 PolarHBondContact O-N 2.92Å
316	N	83.9	Confident	71.9	Confident	113 Å²	113	58.6 Å²	58.6	60%	0.604	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.6	-177.8	-67.9	-33.3	0	0	0	113.5	D312 D314 T318	D312-N316 VanDerWaalsContact O-CB 3.23Å; D312-N316 WeakPolarHBondContact O-CB 3.12Å; D312-N316 PolarHBondContact O-N 3.13Å; D312-N316 PolarHBondContact O-ND2 3.1Å; D314-N316 VanDerWaalsContact C-N 3.3Å; D314-N316 PolarHBondContact O-N 2.91Å; N316-T318 HydrophobicContact CB-CG2 4.34Å; N316-T318 PolarHBondContact O-N 2.65Å
317	G	77.5	Confident	70.4	Confident	67 Å²	67	56.3 Å²	56.3	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	25.8	-174.7	0	0	0	0	0	113.9	E313 D314 I315	E313-G317 CarbonylContact O-C 3.59Å; E313-G317 PolarHBondContact O-N 3.3Å; D314-G317 PolarHBondContact O-N 2.83Å; D314-G317 VanDerWaalsContact O-N 3.17Å; I315-G317 VanDerWaalsContact C-N 3.28Å; I315-G317 PolarHBondContact O-N 2.92Å
318	T	72.6	Confident	68.6	Low	73 Å²	73	58.3 Å²	58.3	45%	0.448	31%	0.31	S	S	.	.			trans	-116.7	39.9	-173.6	52.9	0	0	0	0	112.6	E313 N316 R320	E313-T318 PolarHBondContact O-N 3.24Å; N316-T318 HydrophobicContact CB-CG2 4.34Å; N316-T318 PolarHBondContact O-N 2.65Å; T318-R320 WeakPolarHBondContact O-CG 3.35Å; T318-R320 PolarHBondContact O-N 2.83Å
319	K	65.5	Low	67.3	Low	142 Å²	142	60.9 Å²	60.9	62%	0.617	32%	0.323	S	S	*	.			trans	-49.6	112.4	-178.5	-72.4	-174.2	179	-179.2	0	112.2	D314	D314-K319 WeakPolarHBondContact OD1-CE 3.47Å; D314-K319 IonicContact OD1-NZ 3.64Å; D314-K319 PolarHBondContact OD1-NZ 3.32Å
320	R	58.8	Low	65.8	Low	216 Å²	216	61.6 Å²	61.6	82%	0.815	33%	0.332	S	S	*	.			trans	-136	-25.1	179.5	-77.9	177.8	153.1	-179	-4.1	113.1	E313 T318	E313-R320 WeakPolarHBondContact OE2-CA 3.36Å; E313-R320 PolarHBondContact OE2-N 2.76Å; T318-R320 WeakPolarHBondContact O-CG 3.35Å; T318-R320 PolarHBondContact O-N 2.83Å
321	V	54.4	Low	64.7	Low	31 Å²	31	64.1 Å²	64.1	19%	0.188	35%	0.354	C	S	.	.			trans	-99.8	119.8	-177.2	177.8	0	0	0	0	110.6	I306 K309 V310 E313	I306-V321 HydrophobicContact CG2-CG1 4.33Å; K309-V321 HydrophobicContact CD-CG2 3.82Å; K309-V321 VanDerWaalsContact CE-CG2 3.46Å; K309-V321 HydrophobicContact CG-CG2 4.2Å; V310-V321 HydrophobicContact CG2-CB 3.99Å; V310-V321 HydrophobicContact CG2-CG1 3.61Å; E313-V321 VanDerWaalsContact OE1-CG2 3.31Å; E313-V321 WeakPolarHBondContact OE1-CG2 3.4Å; E313-V321 WeakPolarHBondContact OE2-CB 3.36Å; E313-V321 PolarHBondContact OE2-N 3.21Å
322	D	55.1	Low	64.7	Low	108 Å²	108	64.7 Å²	64.7	58%	0.578	36%	0.36	S	S	*	.			trans	-95.3	107.6	175.6	-76.8	-27.8	0	0	0	109.7	S452	D322-S452 WeakPolarHBondContact CA-OG 3.32Å; D322-S452 WeakPolarHBondContact CB-OG 3.14Å; D322-S452 VanDerWaalsContact OD1-CB 3.3Å; D322-S452 WeakPolarHBondContact OD1-CB 3.29Å
323	L	52	Low	64.8	Low	18 Å²	18	63.5 Å²	63.5	9%	0.094	35%	0.35	C	S	.	.			trans	-90	135.1	172.6	-150.4	95.3	0	0	0	111.9	I306 L307 V310 L450 S452	I306-L323 HydrophobicContact CB-CD1 4.15Å; I306-L323 HydrophobicContact CG2-CD1 3.16Å; L307-L323 HydrophobicContact CD2-CD1 4.31Å; L307-L323 HydrophobicContact CD2-CD2 3.38Å; L307-L323 HydrophobicContact CD2-CG 4.45Å; L307-L323 HydrophobicContact CG-CD2 4.35Å; V310-L323 HydrophobicContact CG2-CB 4.35Å; V310-L323 HydrophobicContact CG2-CD1 4.23Å; L323-L450 HydrophobicContact CD2-CD2 3.83Å; L323-S452 PolarHBondContact N-OG 3.44Å; L323-S452 CarbonylContact O-C 3.57Å; L323-S452 WeakPolarHBondContact O-CA 3.44Å; L323-S452 WeakPolarHBondContact O-CB 3.38Å; L323-S452 PolarHBondContact O-N 3.43Å; L323-S452 PolarHBondContact O-OG 3.01Å
324	A	50.1	Low	65.4	Low	3 Å²	3	63.1 Å²	63.1	3%	0.025	35%	0.348	C	S	.	.			trans	-104.5	150.4	-172.7	0	0	0	0	0	114.8	I326 W420 I454	A324-I326 VanDerWaalsContact C-N 3.27Å; A324-I326 CarbonylContact C-O 3.23Å; A324-I326 WeakPolarHBondContact CB-O 3.06Å; A324-I326 CarbonylContact O-C 3.28Å; A324-I326 PolarHBondContact O-N 3.39Å; A324-W420 PolarHBondContact O-NE1 2.8Å; A324-I454 HydrophobicContact CB-CD1 3.69Å; A324-I454 HydrophobicContact CB-CG1 3.29Å
325	A	48.8	Very low	66	Low	12 Å²	12	66.5 Å²	66.5	10%	0.099	37%	0.37	C	S	.	.	S	Bend	trans	-73.7	-6.6	179.7	0	0	0	0	0	115.8	W420 L450 Y456	A325-W420 VanDerWaalsContact C-CD1 3.46Å; A325-W420 VanDerWaalsContact O-CD1 3.26Å; A325-W420 PolarHBondContact O-N 3.49Å; A325-L450 HydrophobicContact CB-CD1 4.26Å; A325-Y456 HydrophobicContact CB-CD2 3.9Å; A325-Y456 HydrophobicContact CB-CE2 4.34Å
326	I	52.2	Low	66.6	Low	2 Å²	2	64.9 Å²	64.9	1%	0.01	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-119.9	148	148.3	-79.8	-161.3	0	0	0	106	A324 S328 G418 V419 Y456 V508 L509 A512	A324-I326 VanDerWaalsContact C-N 3.27Å; A324-I326 CarbonylContact C-O 3.23Å; A324-I326 WeakPolarHBondContact CB-O 3.06Å; A324-I326 CarbonylContact O-C 3.28Å; A324-I326 PolarHBondContact O-N 3.39Å; I326-S328 VanDerWaalsContact C-N 3.29Å; I326-S328 WeakPolarHBondContact O-CA 3.19Å; I326-S328 PolarHBondContact O-N 3.05Å; I326-G418 CarbonylContact C-O 3.52Å; I326-G418 WeakPolarHBondContact CA-O 3.38Å; I326-V419 HydrophobicContact CD1-CG2 3.8Å; I326-V419 HydrophobicContact CG1-CG2 4.15Å; I326-Y456 HydrophobicContact CB-CE2 3.78Å; I326-Y456 VanDerWaalsContact CB-OH 3.26Å; I326-Y456 WeakPolarHBondContact CB-OH 3.14Å; I326-Y456 HydrophobicContact CD1-CE2 4.3Å; I326-Y456 WeakPolarHBondContact CD1-OH 3.2Å; I326-Y456 HydrophobicContact CG1-CE2 3.56Å; I326-Y456 WeakPolarHBondContact CG1-OH 3.24Å; I326-V508 HydrophobicContact CD1-CG1 3.68Å; I326-V508 HydrophobicContact CG1-CG1 4.18Å; I326-L509 HydrophobicContact CD1-CD2 4.43Å; I326-A512 HydrophobicContact CD1-CB 3.9Å
327	A	52.7	Low	67.3	Low	14 Å²	14	61.4 Å²	61.4	12%	0.116	35%	0.347	C	S	.	.			trans	-41.3	97.5	168.1	0	0	0	0	0	110	N329 G418	A327-N329 PolarHBondContact O-N 3.37Å; A327-N329 VanDerWaalsContact O-N 3.13Å; A327-G418 PolarHBondContact N-O 2.66Å; A327-G418 VanDerWaalsContact N-O 3.1Å
328	S	50.1	Low	68.2	Low	51 Å²	51	58.2 Å²	58.2	36%	0.357	32%	0.315	S	S	.	.			trans	-65.5	-24.3	-168.7	34.6	0	0	0	0	111.3	I326 L330	I326-S328 VanDerWaalsContact C-N 3.29Å; I326-S328 WeakPolarHBondContact O-CA 3.19Å; I326-S328 PolarHBondContact O-N 3.05Å; S328-L330 PolarHBondContact O-N 3.44Å
329	N	59.6	Low	69.5	Low	84 Å²	84	58.1 Å²	58.1	45%	0.449	31%	0.307	S	S	.	.			trans	-64.3	111.7	172.3	-168.6	-7	0	0	0	110	A327 A331 S332	A327-N329 PolarHBondContact O-N 3.37Å; A327-N329 VanDerWaalsContact O-N 3.13Å; N329-A331 PolarHBondContact O-N 3.47Å; N329-A331 VanDerWaalsContact O-N 3.13Å; N329-A331 WeakPolarHBondContact OD1-CB 3.33Å; N329-A331 PolarHBondContact OD1-N 2.91Å; N329-S332 WeakPolarHBondContact O-CA 3.42Å; N329-S332 WeakPolarHBondContact O-CB 3.3Å; N329-S332 PolarHBondContact O-N 2.71Å
330	L	54.8	Low	71.1	Confident	125 Å²	125	51.6 Å²	51.6	65%	0.654	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-53.3	-30.3	171.6	-68.7	174	0	0	0	112	S328 S332 R333	S328-L330 PolarHBondContact O-N 3.44Å; L330-S332 PolarHBondContact O-N 2.74Å; L330-R333 WeakPolarHBondContact O-CB 3.05Å; L330-R333 PolarHBondContact O-N 3.17Å; L330-R333 VanDerWaalsContact O-N 3.09Å
331	A	59.2	Low	72.9	Confident	66 Å²	66	41.7 Å²	41.7	55%	0.545	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67	-23.9	176.6	0	0	0	0	0	113.3	N329 R333	N329-A331 PolarHBondContact O-N 3.47Å; N329-A331 VanDerWaalsContact O-N 3.13Å; N329-A331 WeakPolarHBondContact OD1-CB 3.33Å; N329-A331 PolarHBondContact OD1-N 2.91Å; A331-R333 VanDerWaalsContact C-N 3.3Å
332	S	82.8	Confident	75	Confident	28 Å²	28	41.1 Å²	41.1	20%	0.196	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-88.6	5.9	174.9	-57.3	0	0	0	0	112.7	N329 L330 R390	N329-S332 WeakPolarHBondContact O-CA 3.42Å; N329-S332 WeakPolarHBondContact O-CB 3.3Å; N329-S332 PolarHBondContact O-N 2.71Å; L330-S332 PolarHBondContact O-N 2.74Å; S332-R390 WeakPolarHBondContact O-CB 3.5Å; S332-R390 PolarHBondContact O-N 3.47Å
333	R	88	Confident	76.9	Confident	36 Å²	36	39 Å²	39	14%	0.136	23%	0.231	C	C	.	.	S	Bend	trans	-92.3	146.7	170.7	-62.6	-173.5	-170	174.2	7.7	110.3	L330 A331 R390 M455 A512 Y513	L330-R333 WeakPolarHBondContact O-CB 3.05Å; L330-R333 PolarHBondContact O-N 3.17Å; L330-R333 VanDerWaalsContact O-N 3.09Å; A331-R333 VanDerWaalsContact C-N 3.3Å; R333-R390 WeakPolarHBondContact O-CD 3.5Å; R333-M455 PolarHBondContact NH2-SD 3.39Å; R333-A512 PolarHBondContact NH1-O 3.05Å; R333-Y513 HydrophobicContact CB-CE1 3.88Å
334	W	93.7	Very high	78.9	Confident	12 Å²	12	41.3 Å²	41.3	5%	0.045	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-70.5	157.8	169	-67.2	87.9	0	0	0	111.6	I338 D374 I376 R390 A416 Y513	W334-I338 HydrophobicContact CB-CD1 3.86Å; W334-I338 HydrophobicContact CB-CG1 3.88Å; W334-I338 HydrophobicContact CD2-CG2 4.29Å; W334-I338 HydrophobicContact CE3-CG2 4.04Å; W334-I338 HydrophobicContact CG-CD1 4.16Å; W334-I338 HydrophobicContact CG-CG1 4.31Å; W334-I338 HydrophobicContact CZ3-CG2 4.43Å; W334-D374 HydrophobicContact CZ3-CB 4.12Å; W334-I376 HydrophobicContact CH2-CG1 3.95Å; W334-I376 HydrophobicContact CZ2-CD1 4.29Å; W334-I376 HydrophobicContact CZ2-CG1 3.67Å; W334-R390 HydrophobicContact CD2-CB 3.96Å; W334-R390 HydrophobicContact CD2-CG 3.73Å; W334-R390 HydrophobicContact CE3-CG 3.97Å; W334-R390 HydrophobicContact CG-CB 4.04Å; W334-R390 HydrophobicContact CG-CG 4.26Å; W334-R390 HydrophobicContact CH2-CG 4.11Å; W334-R390 HydrophobicContact CZ2-CB 4.24Å; W334-R390 HydrophobicContact CZ2-CG 3.88Å; W334-R390 HydrophobicContact CZ3-CG 4.16Å; W334-A416 VanDerWaalsContact CD1-O 3.31Å; W334-A416 PolarHBondContact NE1-O 3.4Å; W334-Y513 HydrophobicContact CB-CE1 4.21Å; W334-Y513 PolarHBondContact N-OH 3.46Å; W334-Y513 VanDerWaalsContact O-CE1 3.27Å; W334-Y513 WeakPolarHBondContact O-CE1 3.32Å
335	T	93.3	Very high	81	Confident	101 Å²	101	41.8 Å²	41.8	62%	0.62	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-63.8	158.2	157.2	45.4	0	0	0	0	109.4	T337 I338	T335-T337 PolarHBondContact O-N 3.22Å; T335-T337 VanDerWaalsContact O-N 3.15Å; T335-T337 PolarHBondContact OG1-O 2.77Å; T335-I338 WeakPolarHBondContact O-CG1 3.4Å
336	T	94.1	Very high	83.3	Confident	60 Å²	60	44.3 Å²	44.3	37%	0.368	27%	0.274	S	S	.	.	S	Bend	trans	-63.8	-20.8	177.8	54	0	0	0	0	113	L363 K364	T336-L363 WeakPolarHBondContact O-CA 3.28Å; T336-K364 PolarHBondContact O-N 2.82Å
337	T	97.2	Very high	85.4	Confident	40 Å²	40	46 Å²	46	25%	0.245	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	166.3	-58.1	0	0	0	0	109.5	T335 Y339 K364 I366	T335-T337 PolarHBondContact O-N 3.22Å; T335-T337 VanDerWaalsContact O-N 3.15Å; T335-T337 PolarHBondContact OG1-O 2.77Å; T337-Y339 HydrophobicContact CG2-CE2 4.38Å; T337-K364 WeakPolarHBondContact CA-O 3.42Å; T337-I366 HydrophobicContact CG2-CD1 3.5Å; T337-I366 HydrophobicContact CG2-CG1 4.13Å
338	I	98.2	Very high	87.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117	-175.2	-55.7	175.2	0	0	0	107.4	W334 T335 L363 K364 F365 I366 I376 L417	W334-I338 HydrophobicContact CB-CD1 3.86Å; W334-I338 HydrophobicContact CB-CG1 3.88Å; W334-I338 HydrophobicContact CD2-CG2 4.29Å; W334-I338 HydrophobicContact CE3-CG2 4.04Å; W334-I338 HydrophobicContact CG-CD1 4.16Å; W334-I338 HydrophobicContact CG-CG1 4.31Å; W334-I338 HydrophobicContact CZ3-CG2 4.43Å; T335-I338 WeakPolarHBondContact O-CG1 3.4Å; I338-L363 HydrophobicContact CD1-CD2 4.3Å; I338-K364 PolarHBondContact N-O 3.3Å; I338-F365 HydrophobicContact CB-CD1 4.03Å; I338-F365 HydrophobicContact CB-CE1 4.15Å; I338-F365 HydrophobicContact CD1-CD1 4.5Å; I338-F365 HydrophobicContact CD1-CE1 3.83Å; I338-F365 HydrophobicContact CD1-CZ 3.94Å; I338-F365 HydrophobicContact CG2-CD1 4.09Å; I338-F365 HydrophobicContact CG2-CE1 4.07Å; I338-F365 WeakPolarHBondContact O-CA 3.4Å; I338-I366 PolarHBondContact O-N 3.11Å; I338-I376 HydrophobicContact CG2-CD1 3.95Å; I338-I376 HydrophobicContact CG2-CG1 4.25Å; I338-L417 HydrophobicContact CD1-CD2 3.35Å
339	Y	98.5	Very high	89.8	Confident	71 Å²	71	49.7 Å²	49.7	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	142.9	172.3	-66.5	-80.4	0	0	0	109.9	T337 I366 N368 Y371 R375 I376	T337-Y339 HydrophobicContact CG2-CE2 4.38Å; Y339-I366 WeakPolarHBondContact CA-O 3.41Å; Y339-I366 HydrophobicContact CD1-CB 4Å; Y339-I366 HydrophobicContact CD1-CG2 4.05Å; Y339-I366 HydrophobicContact CE1-CB 4.14Å; Y339-I366 HydrophobicContact CE1-CD1 4.35Å; Y339-I366 HydrophobicContact CE1-CG2 3.98Å; Y339-N368 HydrophobicContact CD1-CB 4.05Å; Y339-Y371 HydrophobicContact CD1-CD1 4.41Å; Y339-Y371 HydrophobicContact CD1-CD2 4.41Å; Y339-Y371 HydrophobicContact CD1-CG 4.26Å; Y339-Y371 AromaticContact CD2-CD1 3.97Å; Y339-Y371 HydrophobicContact CD2-CD1 3.97Å; Y339-Y371 HydrophobicContact CD2-CD2 4.38Å; Y339-Y371 AromaticContact CD2-CE1 3.48Å; Y339-Y371 HydrophobicContact CD2-CE1 3.48Å; Y339-Y371 VanDerWaalsContact CD2-CE1 3.48Å; Y339-Y371 AromaticContact CD2-CE2 3.95Å; Y339-Y371 HydrophobicContact CD2-CE2 3.95Å; Y339-Y371 HydrophobicContact CD2-CG 4.38Å; Y339-Y371 AromaticContact CD2-CZ 3.46Å; Y339-Y371 VanDerWaalsContact CD2-CZ 3.46Å; Y339-Y371 HydrophobicContact CE2-CE1 4.26Å; Y339-Y371 AromaticContact CE2-CE2 3.94Å; Y339-Y371 HydrophobicContact CE2-CE2 3.94Å; Y339-Y371 AromaticContact CE2-CZ 3.77Å; Y339-Y371 AromaticContact CG-CD1 3.7Å; Y339-Y371 HydrophobicContact CG-CD1 3.7Å; Y339-Y371 HydrophobicContact CG-CD2 4.3Å; Y339-Y371 AromaticContact CG-CE1 3.73Å; Y339-Y371 HydrophobicContact CG-CE1 3.73Å; Y339-Y371 HydrophobicContact CG-CE2 4.33Å; Y339-Y371 AromaticContact CG-CG 3.99Å; Y339-Y371 HydrophobicContact CG-CG 3.99Å; Y339-R375 VanDerWaalsContact O-CA 3.26Å; Y339-R375 WeakPolarHBondContact O-CA 3.44Å; Y339-R375 VanDerWaalsContact O-CB 3.29Å; Y339-R375 WeakPolarHBondContact O-CB 2.73Å; Y339-I376 PolarHBondContact O-N 3.16Å
340	Y	98.7	Very high	91.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.7	172.3	71.9	-78.9	0	0	0	113.3	I342 I350 E351 L354 R358 F365 I366 R367 N368 I376 Y378	Y340-I342 HydrophobicContact CD2-CG1 4.15Å; Y340-I342 HydrophobicContact CE2-CD1 4.06Å; Y340-I342 HydrophobicContact CE2-CG1 4.16Å; Y340-I350 HydrophobicContact CE2-CG2 4.45Å; Y340-E351 WeakPolarHBondContact CE2-OE1 3.46Å; Y340-E351 PolarHBondContact OH-OE1 2.81Å; Y340-E351 PolarHBondContact OH-OE2 3.23Å; Y340-L354 HydrophobicContact CD1-CD1 3.92Å; Y340-L354 HydrophobicContact CD2-CD1 3.8Å; Y340-L354 HydrophobicContact CE1-CD1 3.64Å; Y340-L354 HydrophobicContact CE2-CD1 3.51Å; Y340-L354 HydrophobicContact CG-CD1 3.99Å; Y340-L354 VanDerWaalsContact CZ-CD1 3.42Å; Y340-R358 PolarHBondContact OH-NH2 3.1Å; Y340-F365 HydrophobicContact CD1-CB 3.94Å; Y340-F365 HydrophobicContact CE1-CB 3.71Å; Y340-I366 VanDerWaalsContact CD1-C 3.49Å; Y340-I366 WeakPolarHBondContact CD1-O 2.75Å; Y340-I366 PolarHBondContact N-O 3.49Å; Y340-R367 HydrophobicContact CE1-CB 3.98Å; Y340-R367 HydrophobicContact CE2-CB 3.87Å; Y340-R367 HydrophobicContact CE2-CG 4.08Å; Y340-R367 WeakPolarHBondContact O-CA 3.31Å; Y340-N368 PolarHBondContact O-N 3.42Å; Y340-I376 CarbonylContact C-O 3.48Å; Y340-I376 WeakPolarHBondContact CA-O 3.32Å; Y340-I376 VanDerWaalsContact CB-O 3.32Å; Y340-I376 WeakPolarHBondContact CB-O 3.45Å; Y340-Y378 AromaticContact CD2-CD2 4Å; Y340-Y378 HydrophobicContact CD2-CD2 4Å; Y340-Y378 AromaticContact CD2-CE2 3.98Å; Y340-Y378 HydrophobicContact CD2-CE2 3.98Å; Y340-Y378 HydrophobicContact CG-CE2 4.16Å
341	T	98.3	Very high	93.7	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.2	177.2	58.1	0	0	0	0	109.7	N368 D369 I376 Q377 Y378	T341-N368 WeakPolarHBondContact CG2-O 3.47Å; T341-D369 WeakPolarHBondContact CA-OD1 3.3Å; T341-D369 WeakPolarHBondContact CB-OD1 3.46Å; T341-I376 PolarHBondContact N-O 3.03Å; T341-Q377 WeakPolarHBondContact OG1-CG 3.43Å; T341-Y378 PolarHBondContact O-N 3.36Å
342	I	97.6	Very high	95.5	Very high	20 Å²	20	41 Å²	41	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.9	-178.9	-54.9	177.3	0	0	0	109.5	Y340 V345 I350	Y340-I342 HydrophobicContact CD2-CG1 4.15Å; Y340-I342 HydrophobicContact CE2-CD1 4.06Å; Y340-I342 HydrophobicContact CE2-CG1 4.16Å; I342-V345 HydrophobicContact CG2-CB 4.41Å; I342-I350 HydrophobicContact CD1-CB 3.73Å; I342-I350 HydrophobicContact CD1-CG1 4.1Å; I342-I350 HydrophobicContact CD1-CG2 3.68Å; I342-I350 HydrophobicContact CG1-CB 4.47Å; I342-I350 HydrophobicContact CG1-CG1 4.49Å; I342-I350 HydrophobicContact CG1-CG2 4.11Å; I342-I350 HydrophobicContact CG2-CG1 4.39Å
343	S	95.5	Very high	96.3	Very high	64 Å²	64	39.6 Å²	39.6	45%	0.448	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	109.2	179.2	179	0	0	0	0	111.8	V345 Y378 I379	S343-V345 VanDerWaalsContact C-N 3.35Å; S343-V345 PolarHBondContact O-N 2.94Å; S343-Y378 PolarHBondContact N-O 3.43Å; S343-I379 WeakPolarHBondContact O-CA 3.32Å
344	G	94	Very high	96.8	Very high	66 Å²	66	37.9 Å²	37.9	68%	0.68	23%	0.233	S	C	*	.	S	Bend	trans	81.1	3.6	172.3	0	0	0	0	0	116.4	K380	G344-K380 WeakPolarHBondContact O-CB 3.47Å; G344-K380 WeakPolarHBondContact O-CD 3.34Å
345	V	94.5	Very high	97	Very high	12 Å²	12	41.1 Å²	41.1	7%	0.073	25%	0.248	C	C	.	.	S	Bend	trans	-113.2	152.4	176.7	-172.6	0	0	0	0	110	I342 S343 S347 I350 I379 K380 I399	I342-V345 HydrophobicContact CG2-CB 4.41Å; S343-V345 VanDerWaalsContact C-N 3.35Å; S343-V345 PolarHBondContact O-N 2.94Å; V345-S347 PolarHBondContact O-N 2.91Å; V345-I350 HydrophobicContact CG1-CD1 3.94Å; V345-I350 HydrophobicContact CG1-CG1 4.16Å; V345-I379 VanDerWaalsContact CG2-O 3.27Å; V345-I379 WeakPolarHBondContact CG2-O 3.44Å; V345-K380 HydrophobicContact CG2-CB 3.8Å; V345-K380 VanDerWaalsContact CG2-N 3.26Å; V345-I399 HydrophobicContact CG1-CB 3.92Å; V345-I399 HydrophobicContact CG1-CG2 3.73Å; V345-I399 HydrophobicContact CG2-CB 4.27Å
346	D	95.3	Very high	97.2	Very high	66 Å²	66	40.7 Å²	40.7	35%	0.353	24%	0.238	S	C	.	.			trans	-57.4	110.8	172.5	-174.2	-6	0	0	0	111.6	N348 V349 I350	D346-N348 PolarHBondContact O-N 2.94Å; D346-N348 WeakPolarHBondContact OD1-CB 3.2Å; D346-N348 PolarHBondContact OD1-N 2.99Å; D346-N348 PolarHBondContact OD1-ND2 2.78Å; D346-N348 VanDerWaalsContact OD1-ND2 3.17Å; D346-V349 HydrophobicContact CB-CG2 4.15Å; D346-V349 PolarHBondContact O-N 2.99Å; D346-I350 PolarHBondContact O-N 3Å
347	S	96.7	Very high	97.4	Very high	36 Å²	36	37.9 Å²	37.9	25%	0.252	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-30.5	179.2	-64.5	0	0	0	0	112.8	V345 V349 I350 E351 R367	V345-S347 PolarHBondContact O-N 2.91Å; S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact O-N 3.31Å; S347-I350 PolarHBondContact O-N 3.43Å; S347-E351 WeakPolarHBondContact O-CB 3.3Å; S347-E351 WeakPolarHBondContact O-CG 3.27Å; S347-E351 PolarHBondContact O-N 3.41Å; S347-R367 PolarHBondContact OG-NH1 3.4Å
348	N	97.9	Very high	97.4	Very high	122 Å²	122	38.2 Å²	38.2	65%	0.652	22%	0.217	S	C	*	.	H	α-helix	trans	-66	-39.3	-178.6	-61	-50.5	0	0	0	111.6	D346 A352	D346-N348 PolarHBondContact O-N 2.94Å; D346-N348 WeakPolarHBondContact OD1-CB 3.2Å; D346-N348 PolarHBondContact OD1-N 2.99Å; D346-N348 PolarHBondContact OD1-ND2 2.78Å; D346-N348 VanDerWaalsContact OD1-ND2 3.17Å; N348-A352 VanDerWaalsContact O-CB 3.29Å; N348-A352 WeakPolarHBondContact O-CB 3.43Å; N348-A352 PolarHBondContact O-N 3.06Å
349	V	97.1	Very high	97.4	Very high	22 Å²	22	41.4 Å²	41.4	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-42.4	178.3	-179.3	0	0	0	0	110.4	D346 S347 A352 G353 E404 V409	D346-V349 HydrophobicContact CB-CG2 4.15Å; D346-V349 PolarHBondContact O-N 2.99Å; S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact O-N 3.31Å; V349-A352 PolarHBondContact O-N 3.21Å; V349-G353 PolarHBondContact O-N 3.44Å; V349-E404 HydrophobicContact CG2-CB 4.5Å; V349-V409 HydrophobicContact CG1-CG2 3.86Å
350	I	98.5	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-49.6	174.8	-57.2	-51.9	0	0	0	110.6	Y340 I342 V345 D346 S347 A352 G353 L354 Y378 I399 V409	Y340-I350 HydrophobicContact CE2-CG2 4.45Å; I342-I350 HydrophobicContact CD1-CB 3.73Å; I342-I350 HydrophobicContact CD1-CG1 4.1Å; I342-I350 HydrophobicContact CD1-CG2 3.68Å; I342-I350 HydrophobicContact CG1-CB 4.47Å; I342-I350 HydrophobicContact CG1-CG1 4.49Å; I342-I350 HydrophobicContact CG1-CG2 4.11Å; I342-I350 HydrophobicContact CG2-CG1 4.39Å; V345-I350 HydrophobicContact CG1-CD1 3.94Å; V345-I350 HydrophobicContact CG1-CG1 4.16Å; D346-I350 PolarHBondContact O-N 3Å; S347-I350 PolarHBondContact O-N 3.43Å; I350-A352 VanDerWaalsContact C-N 3.33Å; I350-A352 PolarHBondContact O-N 2.79Å; I350-G353 PolarHBondContact O-N 3.15Å; I350-L354 HydrophobicContact CG2-CD1 3.92Å; I350-L354 HydrophobicContact CG2-CG 4.3Å; I350-L354 WeakPolarHBondContact O-CB 3.35Å; I350-L354 WeakPolarHBondContact O-CG 2.91Å; I350-L354 PolarHBondContact O-N 3.33Å; I350-Y378 HydrophobicContact CD1-CD1 3.81Å; I350-Y378 HydrophobicContact CD1-CG 3.98Å; I350-Y378 HydrophobicContact CG1-CG 4.32Å; I350-Y378 HydrophobicContact CG2-CD1 4.24Å; I350-Y378 HydrophobicContact CG2-CD2 3.62Å; I350-Y378 HydrophobicContact CG2-CE1 4.46Å; I350-Y378 HydrophobicContact CG2-CE2 3.88Å; I350-Y378 HydrophobicContact CG2-CG 3.82Å; I350-I399 HydrophobicContact CD1-CB 4.38Å; I350-I399 HydrophobicContact CD1-CG1 3.9Å; I350-I399 HydrophobicContact CD1-CG2 4.4Å; I350-V409 HydrophobicContact CD1-CG1 4.32Å; I350-V409 HydrophobicContact CD1-CG2 3.76Å
351	E	98.5	Very high	97.1	Very high	52 Å²	52	39.5 Å²	39.5	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-40.4	178.6	-71	-51.9	148.3	0	0	112.4	Y340 S347 L354 Q355 R358	Y340-E351 WeakPolarHBondContact CE2-OE1 3.46Å; Y340-E351 PolarHBondContact OH-OE1 2.81Å; Y340-E351 PolarHBondContact OH-OE2 3.23Å; S347-E351 WeakPolarHBondContact O-CB 3.3Å; S347-E351 WeakPolarHBondContact O-CG 3.27Å; S347-E351 PolarHBondContact O-N 3.41Å; E351-L354 PolarHBondContact O-N 3.01Å; E351-Q355 VanDerWaalsContact O-CB 3.23Å; E351-Q355 WeakPolarHBondContact O-CB 3.35Å; E351-Q355 PolarHBondContact O-N 3.36Å; E351-R358 IonicContact OE2-CZ 2.7Å; E351-R358 IonicContact OE2-NH1 3.57Å; E351-R358 PolarHBondContact OE2-NH1 2.77Å; E351-R358 IonicContact OE2-NH2 3.96Å; E351-R358 PolarHBondContact OE2-NH2 3.11Å; E351-R358 VanDerWaalsContact OE2-NH2 3.08Å
352	A	98.1	Very high	97	Very high	39 Å²	39	40.1 Å²	40.1	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-40.7	178.3	0	0	0	0	0	112.3	N348 V349 I350 K356 V406	N348-A352 VanDerWaalsContact O-CB 3.29Å; N348-A352 WeakPolarHBondContact O-CB 3.43Å; N348-A352 PolarHBondContact O-N 3.06Å; V349-A352 PolarHBondContact O-N 3.21Å; I350-A352 VanDerWaalsContact C-N 3.33Å; I350-A352 PolarHBondContact O-N 2.79Å; A352-K356 PolarHBondContact O-N 3.26Å; A352-V406 HydrophobicContact CB-CG2 3.76Å
353	G	98	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-50	173.9	0	0	0	0	0	112.2	V349 I350 Q355 K356 C410	V349-G353 PolarHBondContact O-N 3.44Å; I350-G353 PolarHBondContact O-N 3.15Å; G353-Q355 PolarHBondContact O-N 2.78Å; G353-K356 WeakPolarHBondContact O-CB 3.41Å; G353-K356 PolarHBondContact O-N 2.85Å; G353-C410 PolarHBondContact O-SG 2.73Å
354	L	98.7	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-32.8	176.7	-70.2	-177.8	0	0	0	112.5	Y340 I350 E351 K356 W357 R358 F365 Y378 T413	Y340-L354 HydrophobicContact CD1-CD1 3.92Å; Y340-L354 HydrophobicContact CD2-CD1 3.8Å; Y340-L354 HydrophobicContact CE1-CD1 3.64Å; Y340-L354 HydrophobicContact CE2-CD1 3.51Å; Y340-L354 HydrophobicContact CG-CD1 3.99Å; Y340-L354 VanDerWaalsContact CZ-CD1 3.42Å; I350-L354 HydrophobicContact CG2-CD1 3.92Å; I350-L354 HydrophobicContact CG2-CG 4.3Å; I350-L354 WeakPolarHBondContact O-CB 3.35Å; I350-L354 WeakPolarHBondContact O-CG 2.91Å; I350-L354 PolarHBondContact O-N 3.33Å; E351-L354 PolarHBondContact O-N 3.01Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 3.47Å; L354-W357 PolarHBondContact O-N 2.8Å; L354-R358 WeakPolarHBondContact O-CG 3.22Å; L354-R358 PolarHBondContact O-N 3.46Å; L354-F365 HydrophobicContact CB-CB 4.44Å; L354-F365 HydrophobicContact CB-CG 4.45Å; L354-F365 HydrophobicContact CD1-CB 4.13Å; L354-F365 HydrophobicContact CD1-CD1 4.33Å; L354-F365 HydrophobicContact CD1-CG 4.36Å; L354-F365 HydrophobicContact CD2-CB 4.36Å; L354-F365 HydrophobicContact CD2-CD1 3.46Å; L354-F365 VanDerWaalsContact CD2-CD1 3.46Å; L354-F365 HydrophobicContact CD2-CD2 4.13Å; L354-F365 HydrophobicContact CD2-CE1 3.62Å; L354-F365 HydrophobicContact CD2-CE2 4.29Å; L354-F365 HydrophobicContact CD2-CG 3.72Å; L354-F365 HydrophobicContact CD2-CZ 4.04Å; L354-F365 HydrophobicContact CG-CD1 4.43Å; L354-F365 HydrophobicContact CG-CG 4.41Å; L354-Y378 HydrophobicContact CD1-CE2 4.07Å; L354-Y378 HydrophobicContact CD2-CE2 4.47Å; L354-Y378 VanDerWaalsContact CD2-OH 3.25Å; L354-Y378 WeakPolarHBondContact CD2-OH 3.34Å; L354-T413 HydrophobicContact CD2-CG2 4.02Å
355	Q	98.3	Very high	97.4	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-35.8	175.3	-169	59.4	40.3	0	0	112	E351 G353 W357 R358 D359	E351-Q355 VanDerWaalsContact O-CB 3.23Å; E351-Q355 WeakPolarHBondContact O-CB 3.35Å; E351-Q355 PolarHBondContact O-N 3.36Å; G353-Q355 PolarHBondContact O-N 2.78Å; Q355-W357 VanDerWaalsContact C-N 3.33Å; Q355-W357 PolarHBondContact O-N 2.98Å; Q355-R358 PolarHBondContact O-N 3.22Å; Q355-D359 PolarHBondContact NE2-OD1 3.31Å; Q355-D359 WeakPolarHBondContact O-CB 3.49Å; Q355-D359 PolarHBondContact O-N 3.2Å
356	K	98	Very high	97.5	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-43.2	174.9	-62.4	-60.8	-176.1	177.1	0	111.8	A352 G353 L354 D359 T360 V406 P501	A352-K356 PolarHBondContact O-N 3.26Å; G353-K356 WeakPolarHBondContact O-CB 3.41Å; G353-K356 PolarHBondContact O-N 2.85Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 3.47Å; K356-D359 PolarHBondContact O-N 2.84Å; K356-T360 WeakPolarHBondContact O-CG2 3.43Å; K356-T360 PolarHBondContact O-N 2.86Å; K356-T360 PolarHBondContact O-OG1 3.02Å; K356-V406 HydrophobicContact CG-CG1 3.94Å; K356-P501 HydrophobicContact CB-CG 4.44Å
357	W	98	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.1	-42.9	175.4	-66.7	130.5	0	0	0	112.9	L354 Q355 D359 T360 T361 F365 C410 S414 E467 P501 D505 A506 L509	L354-W357 PolarHBondContact O-N 2.8Å; Q355-W357 VanDerWaalsContact C-N 3.33Å; Q355-W357 PolarHBondContact O-N 2.98Å; W357-D359 PolarHBondContact O-N 3.46Å; W357-T360 PolarHBondContact O-N 3.45Å; W357-T361 HydrophobicContact CE3-CG2 3.98Å; W357-T361 WeakPolarHBondContact O-CB 3.46Å; W357-T361 PolarHBondContact O-N 2.91Å; W357-T361 PolarHBondContact O-OG1 3.14Å; W357-F365 HydrophobicContact CB-CD2 4.43Å; W357-F365 HydrophobicContact CB-CE2 3.64Å; W357-F365 HydrophobicContact CB-CZ 4.32Å; W357-F365 HydrophobicContact CG-CE2 4.41Å; W357-C410 HydrophobicContact CZ2-CB 3.97Å; W357-C410 PolarHBondContact NE1-O 3.02Å; W357-S414 WeakPolarHBondContact CH2-OG 3.41Å; W357-S414 WeakPolarHBondContact CZ2-OG 3.37Å; W357-E467 WeakPolarHBondContact CH2-OE1 3.35Å; W357-E467 WeakPolarHBondContact CZ2-OE1 3.49Å; W357-P501 HydrophobicContact CH2-CB 3.5Å; W357-P501 HydrophobicContact CH2-CG 3.54Å; W357-P501 HydrophobicContact CZ2-CB 4.12Å; W357-P501 HydrophobicContact CZ2-CG 3.64Å; W357-P501 HydrophobicContact CZ3-CB 3.86Å; W357-P501 HydrophobicContact CZ3-CG 3.99Å; W357-D505 HydrophobicContact CH2-CB 4.22Å; W357-A506 HydrophobicContact CZ3-CB 4.4Å; W357-L509 HydrophobicContact CD2-CD1 3.96Å; W357-L509 HydrophobicContact CE3-CD1 3.53Å; W357-L509 HydrophobicContact CH2-CD1 3.72Å; W357-L509 HydrophobicContact CZ2-CD1 4.12Å; W357-L509 HydrophobicContact CZ3-CD1 3.42Å; W357-L509 VanDerWaalsContact CZ3-CD1 3.42Å
358	R	97.9	Very high	97.7	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.177	23%	0.225	C	C	.	.	H	α-helix	trans	-55.8	-39.5	172.6	-70.5	177.5	-169	126.2	1.8	110.6	Y340 E351 L354 Q355 F365 K532	Y340-R358 PolarHBondContact OH-NH2 3.1Å; E351-R358 IonicContact OE2-CZ 2.7Å; E351-R358 IonicContact OE2-NH1 3.57Å; E351-R358 PolarHBondContact OE2-NH1 2.77Å; E351-R358 IonicContact OE2-NH2 3.96Å; E351-R358 PolarHBondContact OE2-NH2 3.11Å; E351-R358 VanDerWaalsContact OE2-NH2 3.08Å; L354-R358 WeakPolarHBondContact O-CG 3.22Å; L354-R358 PolarHBondContact O-N 3.46Å; Q355-R358 PolarHBondContact O-N 3.22Å; R358-F365 HydrophobicContact CG-CD2 4.14Å; R358-F365 PolarHBondContact NE-O 2.69Å; R358-F365 PolarHBondContact NH2-O 3.08Å; R358-K532 WeakPolarHBondContact O-CE 3.27Å; R358-K532 PolarHBondContact O-NZ 3.46Å
359	D	96.8	Very high	97.5	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-73.8	-29.8	-175.5	-74.4	-17.1	0	0	0	114.3	Q355 K356 W357 K532 R538	Q355-D359 PolarHBondContact NE2-OD1 3.31Å; Q355-D359 WeakPolarHBondContact O-CB 3.49Å; Q355-D359 PolarHBondContact O-N 3.2Å; K356-D359 PolarHBondContact O-N 2.84Å; W357-D359 PolarHBondContact O-N 3.46Å; D359-K532 WeakPolarHBondContact O-CE 3.27Å; D359-K532 IonicContact OD1-NZ 2.97Å; D359-R538 PolarHBondContact O-NH2 3.42Å
360	T	95.5	Very high	97.4	Very high	33 Å²	33	50.1 Å²	50.1	20%	0.202	24%	0.243	C	C	.	.	H	α-helix	trans	-110.2	-13	-169.4	55.4	0	0	0	0	114.2	K356 W357 N510	K356-T360 WeakPolarHBondContact O-CG2 3.43Å; K356-T360 PolarHBondContact O-N 2.86Å; K356-T360 PolarHBondContact O-OG1 3.02Å; W357-T360 PolarHBondContact O-N 3.45Å; T360-N510 PolarHBondContact O-ND2 3.44Å
361	T	96.8	Very high	97.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	26%	0.257	C	S	.	.	S	Bend	trans	-126.6	177.8	-177.2	74.7	0	0	0	0	111.9	W357 L363 L509 N510	W357-T361 HydrophobicContact CE3-CG2 3.98Å; W357-T361 WeakPolarHBondContact O-CB 3.46Å; W357-T361 PolarHBondContact O-N 2.91Å; W357-T361 PolarHBondContact O-OG1 3.14Å; T361-L363 VanDerWaalsContact C-N 3.28Å; T361-L363 VanDerWaalsContact OG1-CB 3.3Å; T361-L363 WeakPolarHBondContact OG1-CB 3.19Å; T361-L363 WeakPolarHBondContact OG1-CG 3.1Å; T361-L363 PolarHBondContact OG1-N 3Å; T361-L509 HydrophobicContact CG2-CB 4.14Å; T361-L509 HydrophobicContact CG2-CD1 4.44Å; T361-N510 WeakPolarHBondContact CA-OD1 3.39Å
362	C	96.2	Very high	97	Very high	21 Å²	21	57 Å²	57	14%	0.142	28%	0.282	C	S	.	.	S	Bend	trans	-82.3	-3.6	167.5	65.3	0	0	0	0	113.7	C514 V517 P531	C362-C514 HydrophobicContact CB-CB 3.73Å; C362-C514 WeakPolarHBondContact CB-SG 3.4Å; C362-C514 PolarHBondContact N-SG 3.06Å; C362-C514 WeakPolarHBondContact SG-CA 3.4Å; C362-C514 WeakPolarHBondContact SG-CB 3.41Å; C362-C514 CovalentContact SG-SG 2.04Å; C362-C514 PolarHBondContact SG-SG 3.3Å; C362-V517 HydrophobicContact CB-CG2 3.78Å; C362-P531 HydrophobicContact CB-CB 4.01Å
363	L	97.4	Very high	96.9	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	28%	0.279	C	S	.	.			trans	-71.6	134.4	-173.3	-60	175	0	0	0	110.9	T336 I338 T361 F365 L417 Y513	T336-L363 WeakPolarHBondContact O-CA 3.28Å; I338-L363 HydrophobicContact CD1-CD2 4.3Å; T361-L363 VanDerWaalsContact C-N 3.28Å; T361-L363 VanDerWaalsContact OG1-CB 3.3Å; T361-L363 WeakPolarHBondContact OG1-CB 3.19Å; T361-L363 WeakPolarHBondContact OG1-CG 3.1Å; T361-L363 PolarHBondContact OG1-N 3Å; L363-F365 HydrophobicContact CB-CD2 4.46Å; L363-F365 HydrophobicContact CB-CE2 3.84Å; L363-F365 HydrophobicContact CB-CZ 4.46Å; L363-F365 HydrophobicContact CD1-CE2 4.42Å; L363-F365 HydrophobicContact CD1-CZ 4.42Å; L363-L417 HydrophobicContact CD1-CD1 3.66Å; L363-L417 HydrophobicContact CD1-CD2 3.78Å; L363-L417 HydrophobicContact CD1-CG 4.37Å; L363-Y513 HydrophobicContact CD1-CD2 4.49Å; L363-Y513 HydrophobicContact CD2-CD1 3.82Å; L363-Y513 HydrophobicContact CD2-CD2 4.37Å; L363-Y513 HydrophobicContact CD2-CE1 4.46Å; L363-Y513 HydrophobicContact CD2-CG 3.76Å
364	K	97.9	Very high	96.8	Very high	131 Å²	131	59.4 Å²	59.4	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.9	176.9	-62	-179.5	-177.1	179.2	0	108.7	T336 T337 I338	T336-K364 PolarHBondContact O-N 2.82Å; T337-K364 WeakPolarHBondContact CA-O 3.42Å; I338-K364 PolarHBondContact N-O 3.3Å
365	F	98.6	Very high	96.8	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.039	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.4	172.6	-67.2	-90.3	0	0	0	109.7	I338 Y340 L354 W357 R358 L363 T413 L417	I338-F365 HydrophobicContact CB-CD1 4.03Å; I338-F365 HydrophobicContact CB-CE1 4.15Å; I338-F365 HydrophobicContact CD1-CD1 4.5Å; I338-F365 HydrophobicContact CD1-CE1 3.83Å; I338-F365 HydrophobicContact CD1-CZ 3.94Å; I338-F365 HydrophobicContact CG2-CD1 4.09Å; I338-F365 HydrophobicContact CG2-CE1 4.07Å; I338-F365 WeakPolarHBondContact O-CA 3.4Å; Y340-F365 HydrophobicContact CD1-CB 3.94Å; Y340-F365 HydrophobicContact CE1-CB 3.71Å; L354-F365 HydrophobicContact CB-CB 4.44Å; L354-F365 HydrophobicContact CB-CG 4.45Å; L354-F365 HydrophobicContact CD1-CB 4.13Å; L354-F365 HydrophobicContact CD1-CD1 4.33Å; L354-F365 HydrophobicContact CD1-CG 4.36Å; L354-F365 HydrophobicContact CD2-CB 4.36Å; L354-F365 HydrophobicContact CD2-CD1 3.46Å; L354-F365 VanDerWaalsContact CD2-CD1 3.46Å; L354-F365 HydrophobicContact CD2-CD2 4.13Å; L354-F365 HydrophobicContact CD2-CE1 3.62Å; L354-F365 HydrophobicContact CD2-CE2 4.29Å; L354-F365 HydrophobicContact CD2-CG 3.72Å; L354-F365 HydrophobicContact CD2-CZ 4.04Å; L354-F365 HydrophobicContact CG-CD1 4.43Å; L354-F365 HydrophobicContact CG-CG 4.41Å; W357-F365 HydrophobicContact CB-CD2 4.43Å; W357-F365 HydrophobicContact CB-CE2 3.64Å; W357-F365 HydrophobicContact CB-CZ 4.32Å; W357-F365 HydrophobicContact CG-CE2 4.41Å; R358-F365 HydrophobicContact CG-CD2 4.14Å; R358-F365 PolarHBondContact NE-O 2.69Å; R358-F365 PolarHBondContact NH2-O 3.08Å; L363-F365 HydrophobicContact CB-CD2 4.46Å; L363-F365 HydrophobicContact CB-CE2 3.84Å; L363-F365 HydrophobicContact CB-CZ 4.46Å; L363-F365 HydrophobicContact CD1-CE2 4.42Å; L363-F365 HydrophobicContact CD1-CZ 4.42Å; F365-T413 HydrophobicContact CE1-CG2 3.91Å; F365-T413 HydrophobicContact CZ-CG2 3.89Å; F365-L417 HydrophobicContact CZ-CD1 4.26Å; F365-L417 HydrophobicContact CZ-CD2 4.31Å
366	I	98.3	Very high	96.8	Very high	70 Å²	70	57.4 Å²	57.4	36%	0.359	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116	-179.3	-57.8	-178	0	0	0	109.7	T337 I338 Y339 Y340 N368	T337-I366 HydrophobicContact CG2-CD1 3.5Å; T337-I366 HydrophobicContact CG2-CG1 4.13Å; I338-I366 PolarHBondContact O-N 3.11Å; Y339-I366 WeakPolarHBondContact CA-O 3.41Å; Y339-I366 HydrophobicContact CD1-CB 4Å; Y339-I366 HydrophobicContact CD1-CG2 4.05Å; Y339-I366 HydrophobicContact CE1-CB 4.14Å; Y339-I366 HydrophobicContact CE1-CD1 4.35Å; Y339-I366 HydrophobicContact CE1-CG2 3.98Å; Y340-I366 VanDerWaalsContact CD1-C 3.49Å; Y340-I366 WeakPolarHBondContact CD1-O 2.75Å; Y340-I366 PolarHBondContact N-O 3.49Å; I366-N368 PolarHBondContact O-N 3.31Å
367	R	98.2	Very high	96.8	Very high	106 Å²	106	54.6 Å²	54.6	40%	0.4	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.7	172.1	-171.3	173.7	169.7	165.7	-1.3	109.3	Y340 S347 D369	Y340-R367 HydrophobicContact CE1-CB 3.98Å; Y340-R367 HydrophobicContact CE2-CB 3.87Å; Y340-R367 HydrophobicContact CE2-CG 4.08Å; Y340-R367 WeakPolarHBondContact O-CA 3.31Å; S347-R367 PolarHBondContact OG-NH1 3.4Å; R367-D369 IonicContact CZ-OD2 3.12Å; R367-D369 IonicContact NE-OD1 2.6Å; R367-D369 IonicContact NE-OD2 2.98Å; R367-D369 PolarHBondContact NE-OD2 2.83Å; R367-D369 IonicContact NH2-OD2 2.82Å; R367-D369 PolarHBondContact NH2-OD2 2.85Å
368	N	97.1	Very high	96.9	Very high	58 Å²	58	54.6 Å²	54.6	31%	0.31	27%	0.272	S	S	.	.			trans	-147.8	91.8	172.2	-173.8	-12.2	0	0	0	110.2	Y339 Y340 T341 I366 Q370 Y371	Y339-N368 HydrophobicContact CD1-CB 4.05Å; Y340-N368 PolarHBondContact O-N 3.42Å; T341-N368 WeakPolarHBondContact CG2-O 3.47Å; I366-N368 PolarHBondContact O-N 3.31Å; N368-Q370 PolarHBondContact O-N 3.29Å; N368-Q370 VanDerWaalsContact O-N 3.09Å; N368-Q370 PolarHBondContact OD1-N 2.78Å; N368-Q370 VanDerWaalsContact OD1-N 3.13Å; N368-Y371 WeakPolarHBondContact O-CB 3.37Å; N368-Y371 PolarHBondContact O-N 3.26Å; N368-Y371 PolarHBondContact OD1-N 2.72Å
369	D	93.9	Very high	96.8	Very high	75 Å²	75	52.9 Å²	52.9	40%	0.401	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.7	-177.3	-64.5	-31.8	0	0	0	113.7	T341 R367	T341-D369 WeakPolarHBondContact CA-OD1 3.3Å; T341-D369 WeakPolarHBondContact CB-OD1 3.46Å; R367-D369 IonicContact CZ-OD2 3.12Å; R367-D369 IonicContact NE-OD1 2.6Å; R367-D369 IonicContact NE-OD2 2.98Å; R367-D369 PolarHBondContact NE-OD2 2.83Å; R367-D369 IonicContact NH2-OD2 2.82Å; R367-D369 PolarHBondContact NH2-OD2 2.85Å
370	Q	94.2	Very high	96.7	Very high	165 Å²	165	54.9 Å²	54.9	77%	0.771	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-6.2	175.4	-54.6	-54.3	-51.5	0	0	113.4	N368 T372	N368-Q370 PolarHBondContact O-N 3.29Å; N368-Q370 VanDerWaalsContact O-N 3.09Å; N368-Q370 PolarHBondContact OD1-N 2.78Å; N368-Q370 VanDerWaalsContact OD1-N 3.13Å; Q370-T372 PolarHBondContact O-N 2.83Å
371	Y	95	Very high	96.6	Very high	72 Å²	72	54 Å²	54	28%	0.282	27%	0.27	S	S	.	.			trans	-70.4	129.6	-178.8	-173.2	-109.4	0	0	0	110.8	Y339 N368 G373 D374 R375	Y339-Y371 HydrophobicContact CD1-CD1 4.41Å; Y339-Y371 HydrophobicContact CD1-CD2 4.41Å; Y339-Y371 HydrophobicContact CD1-CG 4.26Å; Y339-Y371 AromaticContact CD2-CD1 3.97Å; Y339-Y371 HydrophobicContact CD2-CD1 3.97Å; Y339-Y371 HydrophobicContact CD2-CD2 4.38Å; Y339-Y371 AromaticContact CD2-CE1 3.48Å; Y339-Y371 HydrophobicContact CD2-CE1 3.48Å; Y339-Y371 VanDerWaalsContact CD2-CE1 3.48Å; Y339-Y371 AromaticContact CD2-CE2 3.95Å; Y339-Y371 HydrophobicContact CD2-CE2 3.95Å; Y339-Y371 HydrophobicContact CD2-CG 4.38Å; Y339-Y371 AromaticContact CD2-CZ 3.46Å; Y339-Y371 VanDerWaalsContact CD2-CZ 3.46Å; Y339-Y371 HydrophobicContact CE2-CE1 4.26Å; Y339-Y371 AromaticContact CE2-CE2 3.94Å; Y339-Y371 HydrophobicContact CE2-CE2 3.94Å; Y339-Y371 AromaticContact CE2-CZ 3.77Å; Y339-Y371 AromaticContact CG-CD1 3.7Å; Y339-Y371 HydrophobicContact CG-CD1 3.7Å; Y339-Y371 HydrophobicContact CG-CD2 4.3Å; Y339-Y371 AromaticContact CG-CE1 3.73Å; Y339-Y371 HydrophobicContact CG-CE1 3.73Å; Y339-Y371 HydrophobicContact CG-CE2 4.33Å; Y339-Y371 AromaticContact CG-CG 3.99Å; Y339-Y371 HydrophobicContact CG-CG 3.99Å; N368-Y371 WeakPolarHBondContact O-CB 3.37Å; N368-Y371 PolarHBondContact O-N 3.26Å; N368-Y371 PolarHBondContact OD1-N 2.72Å; Y371-G373 VanDerWaalsContact CE1-CA 3.49Å; Y371-D374 WeakPolarHBondContact CE1-O 3.14Å; Y371-R375 HydrophobicContact CD1-CB 4.04Å; Y371-R375 HydrophobicContact CE1-CB 4.41Å; Y371-R375 VanDerWaalsContact O-CD 3.23Å; Y371-R375 WeakPolarHBondContact O-CD 3.45Å; Y371-R375 PolarHBondContact O-NE 3.47Å; Y371-R375 PolarHBondContact O-NH1 3.21Å; Y371-R375 VanDerWaalsContact O-NH1 3.11Å; Y371-R375 PolarHBondContact O-NH2 3.07Å
372	T	94	Very high	96.2	Very high	125 Å²	125	55.9 Å²	55.9	77%	0.767	28%	0.283	S	S	*	.			trans	-104.2	-13.4	-176.2	52.8	0	0	0	0	114	Q370 R375	Q370-T372 PolarHBondContact O-N 2.83Å; T372-R375 VanDerWaalsContact CA-NH1 3.3Å; T372-R375 PolarHBondContact O-NH1 2.85Å
373	G	96.2	Very high	96	Very high	26 Å²	26	55.2 Å²	55.2	27%	0.268	28%	0.279	S	S	.	.	S	Bend	trans	-76	-161.8	176.9	0	0	0	0	0	113.9	Y371 R375	Y371-G373 VanDerWaalsContact CE1-CA 3.49Å; G373-R375 PolarHBondContact O-N 3.04Å; G373-R375 PolarHBondContact O-NH1 3.06Å
374	D	96.7	Very high	95.8	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	28%	0.279	S	S	.	.	S	Bend	trans	-60.5	115.5	-177.6	-59.5	-31.6	0	0	0	112.1	W334 Y371 R390 G393	W334-D374 HydrophobicContact CZ3-CB 4.12Å; Y371-D374 WeakPolarHBondContact CE1-O 3.14Å; D374-R390 IonicContact OD1-NH1 3.61Å; D374-R390 IonicContact OD2-CZ 3.38Å; D374-R390 IonicContact OD2-NH1 2.69Å; D374-R390 PolarHBondContact OD2-NH1 2.86Å; D374-R390 IonicContact OD2-NH2 2.99Å; D374-G393 VanDerWaalsContact CA-O 3.29Å; D374-G393 WeakPolarHBondContact CA-O 3.12Å; D374-G393 WeakPolarHBondContact OD1-CA 3.33Å; D374-G393 PolarHBondContact OD1-N 3.3Å
375	R	97.9	Very high	95.8	Very high	37 Å²	37	49 Å²	49	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.2	-174	68.6	-170.7	-178.2	-86.3	13.8	113.3	Y339 Y371 T372 G373 G393 K394 Q395	Y339-R375 VanDerWaalsContact O-CA 3.26Å; Y339-R375 WeakPolarHBondContact O-CA 3.44Å; Y339-R375 VanDerWaalsContact O-CB 3.29Å; Y339-R375 WeakPolarHBondContact O-CB 2.73Å; Y371-R375 HydrophobicContact CD1-CB 4.04Å; Y371-R375 HydrophobicContact CE1-CB 4.41Å; Y371-R375 VanDerWaalsContact O-CD 3.23Å; Y371-R375 WeakPolarHBondContact O-CD 3.45Å; Y371-R375 PolarHBondContact O-NE 3.47Å; Y371-R375 PolarHBondContact O-NH1 3.21Å; Y371-R375 VanDerWaalsContact O-NH1 3.11Å; Y371-R375 PolarHBondContact O-NH2 3.07Å; T372-R375 VanDerWaalsContact CA-NH1 3.3Å; T372-R375 PolarHBondContact O-NH1 2.85Å; G373-R375 PolarHBondContact O-N 3.04Å; G373-R375 PolarHBondContact O-NH1 3.06Å; R375-G393 PolarHBondContact N-O 2.96Å; R375-K394 HydrophobicContact CG-CG 4.39Å; R375-Q395 PolarHBondContact O-N 3.5Å
376	I	98.6	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.9	167.6	-61.7	175.8	0	0	0	109.1	W334 I338 Y339 Y340 T341 Y378 Q395 V397 A416	W334-I376 HydrophobicContact CH2-CG1 3.95Å; W334-I376 HydrophobicContact CZ2-CD1 4.29Å; W334-I376 HydrophobicContact CZ2-CG1 3.67Å; I338-I376 HydrophobicContact CG2-CD1 3.95Å; I338-I376 HydrophobicContact CG2-CG1 4.25Å; Y339-I376 PolarHBondContact O-N 3.16Å; Y340-I376 CarbonylContact C-O 3.48Å; Y340-I376 WeakPolarHBondContact CA-O 3.32Å; Y340-I376 VanDerWaalsContact CB-O 3.32Å; Y340-I376 WeakPolarHBondContact CB-O 3.45Å; T341-I376 PolarHBondContact N-O 3.03Å; I376-Y378 HydrophobicContact CB-CE2 4.42Å; I376-Y378 HydrophobicContact CG2-CD2 4.07Å; I376-Y378 HydrophobicContact CG2-CE1 4.27Å; I376-Y378 HydrophobicContact CG2-CE2 3.64Å; I376-Q395 CarbonylContact C-O 3.58Å; I376-Q395 VanDerWaalsContact CA-O 3.32Å; I376-Q395 WeakPolarHBondContact CA-O 3.32Å; I376-V397 HydrophobicContact CG2-CB 4.2Å; I376-V397 HydrophobicContact CG2-CG2 3.62Å; I376-A416 HydrophobicContact CD1-CB 3.76Å; I376-A416 HydrophobicContact CG1-CB 4.43Å
377	Q	98.3	Very high	95.6	Very high	33 Å²	33	45.5 Å²	45.5	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.4	171.1	-176.1	-178.7	42.7	0	0	109.3	T341 I379 K394 Q395 Q396 V397	T341-Q377 WeakPolarHBondContact OG1-CG 3.43Å; Q377-I379 HydrophobicContact CG-CG2 3.68Å; Q377-I379 PolarHBondContact O-N 3.44Å; Q377-K394 HydrophobicContact CB-CD 4.42Å; Q377-K394 HydrophobicContact CB-CG 4.02Å; Q377-K394 VanDerWaalsContact OE1-CD 3.3Å; Q377-Q395 PolarHBondContact N-O 3.31Å; Q377-Q396 HydrophobicContact CB-CG 4.06Å; Q377-Q396 HydrophobicContact CG-CG 4.45Å; Q377-Q396 CarbonylContact O-C 3.42Å; Q377-Q396 VanDerWaalsContact O-CA 3.27Å; Q377-Q396 WeakPolarHBondContact O-CA 3.24Å; Q377-V397 PolarHBondContact O-N 2.93Å
378	Y	98.6	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.4	172.9	-65.1	-84.7	0	0	0	109.6	Y340 T341 S343 I350 L354 I376 V397 I399 V409 T413	Y340-Y378 AromaticContact CD2-CD2 4Å; Y340-Y378 HydrophobicContact CD2-CD2 4Å; Y340-Y378 AromaticContact CD2-CE2 3.98Å; Y340-Y378 HydrophobicContact CD2-CE2 3.98Å; Y340-Y378 HydrophobicContact CG-CE2 4.16Å; T341-Y378 PolarHBondContact O-N 3.36Å; S343-Y378 PolarHBondContact N-O 3.43Å; I350-Y378 HydrophobicContact CD1-CD1 3.81Å; I350-Y378 HydrophobicContact CD1-CG 3.98Å; I350-Y378 HydrophobicContact CG1-CG 4.32Å; I350-Y378 HydrophobicContact CG2-CD1 4.24Å; I350-Y378 HydrophobicContact CG2-CD2 3.62Å; I350-Y378 HydrophobicContact CG2-CE1 4.46Å; I350-Y378 HydrophobicContact CG2-CE2 3.88Å; I350-Y378 HydrophobicContact CG2-CG 3.82Å; L354-Y378 HydrophobicContact CD1-CE2 4.07Å; L354-Y378 HydrophobicContact CD2-CE2 4.47Å; L354-Y378 VanDerWaalsContact CD2-OH 3.25Å; L354-Y378 WeakPolarHBondContact CD2-OH 3.34Å; I376-Y378 HydrophobicContact CB-CE2 4.42Å; I376-Y378 HydrophobicContact CG2-CD2 4.07Å; I376-Y378 HydrophobicContact CG2-CE1 4.27Å; I376-Y378 HydrophobicContact CG2-CE2 3.64Å; Y378-V397 WeakPolarHBondContact CA-O 3.29Å; Y378-V397 HydrophobicContact CD1-CB 3.95Å; Y378-V397 HydrophobicContact CD1-CG1 3.85Å; Y378-V397 HydrophobicContact CE1-CB 4.08Å; Y378-V397 HydrophobicContact CE1-CG1 3.85Å; Y378-I399 HydrophobicContact CD1-CG1 4.15Å; Y378-V409 HydrophobicContact CE1-CG1 4.4Å; Y378-T413 WeakPolarHBondContact OH-CG2 3.5Å; Y378-T413 PolarHBondContact OH-OG1 3.47Å
379	I	97.3	Very high	95.1	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161	-177.3	61.7	159.9	0	0	0	112.1	V241 F242 S343 V345 Q377 G381 Q396 V397 I399	V241-I379 HydrophobicContact CG1-CD1 3.3Å; F242-I379 HydrophobicContact CE1-CD1 4.38Å; F242-I379 HydrophobicContact CE2-CD1 4.02Å; F242-I379 HydrophobicContact CZ-CD1 3.69Å; F242-I379 HydrophobicContact CZ-CG1 4.45Å; S343-I379 WeakPolarHBondContact O-CA 3.32Å; V345-I379 VanDerWaalsContact CG2-O 3.27Å; V345-I379 WeakPolarHBondContact CG2-O 3.44Å; Q377-I379 HydrophobicContact CG-CG2 3.68Å; Q377-I379 PolarHBondContact O-N 3.44Å; I379-G381 PolarHBondContact O-N 3.18Å; I379-Q396 HydrophobicContact CD1-CB 4.05Å; I379-Q396 HydrophobicContact CD1-CG 4.12Å; I379-Q396 HydrophobicContact CG1-CB 4.22Å; I379-Q396 HydrophobicContact CG1-CG 4.41Å; I379-Q396 HydrophobicContact CG2-CG 4.22Å; I379-V397 PolarHBondContact N-O 3.23Å; I379-I399 PolarHBondContact O-N 2.9Å
380	K	94.5	Very high	95.2	Very high	111 Å²	111	37.5 Å²	37.5	48%	0.483	20%	0.195	S	C	.	.			trans	-93.6	91.5	172.6	-170.1	168	-174.8	159.2	0	109.9	G344 V345	G344-K380 WeakPolarHBondContact O-CB 3.47Å; G344-K380 WeakPolarHBondContact O-CD 3.34Å; V345-K380 HydrophobicContact CG2-CB 3.8Å; V345-K380 VanDerWaalsContact CG2-N 3.26Å
381	G	92	Very high	95.1	Very high	15 Å²	15	33.4 Å²	33.4	16%	0.155	18%	0.178	C	C	.	.			trans	-91.1	-166.7	171.8	0	0	0	0	0	113	E237 I379 G383 S398 G400	E237-G381 WeakPolarHBondContact OE1-CA 3.36Å; I379-G381 PolarHBondContact O-N 3.18Å; G381-G383 VanDerWaalsContact C-N 3.3Å; G381-G383 PolarHBondContact O-N 3.3Å; G381-S398 WeakPolarHBondContact CA-OG 3.23Å; G381-S398 PolarHBondContact N-OG 3.03Å; G381-S398 VanDerWaalsContact N-OG 3.17Å; G381-G400 VanDerWaalsContact O-CA 3.27Å; G381-G400 WeakPolarHBondContact O-CA 3.42Å
382	S	90	Very high	94.9	Very high	41 Å²	41	31.3 Å²	31.3	29%	0.287	18%	0.178	S	C	.	.	S	Bend	trans	-75.6	-12.6	179.9	60.4	0	0	0	0	114.6	E237 Y385	E237-S382 PolarHBondContact OE1-N 2.73Å; E237-S382 WeakPolarHBondContact OE2-CB 3.47Å; E237-S382 PolarHBondContact OE2-N 3.11Å; E237-S382 VanDerWaalsContact OE2-N 3.17Å; E237-S382 PolarHBondContact OE2-OG 3.4Å; S382-Y385 PolarHBondContact N-OH 3.29Å; S382-Y385 PolarHBondContact OG-OH 3.07Å
383	G	91.6	Very high	94.9	Very high	6 Å²	6	26.8 Å²	26.8	6%	0.062	16%	0.157	C	C	.	.	S	Bend	trans	-159.9	-161.6	179.5	0	0	0	0	0	113.4	G381 S398 G400	G381-G383 VanDerWaalsContact C-N 3.3Å; G381-G383 PolarHBondContact O-N 3.3Å; G383-S398 WeakPolarHBondContact O-CB 3.45Å; G383-S398 PolarHBondContact O-OG 2.88Å; G383-G400 PolarHBondContact O-N 3.4Å
384	C	93.7	Very high	94.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.4	174.7	-25.6	0	0	0	0	108.7	A286 E287 D296 S398 C403 T408 E412	A286-C384 VanDerWaalsContact C-SG 3.56Å; A286-C384 PolarHBondContact O-N 3.4Å; A286-C384 PolarHBondContact O-SG 3.48Å; E287-C384 HydrophobicContact CG-CB 4.29Å; E287-C384 WeakPolarHBondContact CG-SG 3.34Å; D296-C384 WeakPolarHBondContact CB-O 3.37Å; C384-S398 WeakPolarHBondContact CA-O 3.45Å; C384-C403 WeakPolarHBondContact CA-SG 3.22Å; C384-C403 HydrophobicContact CB-CB 3.89Å; C384-C403 WeakPolarHBondContact CB-SG 3.35Å; C384-C403 PolarHBondContact N-SG 3Å; C384-C403 WeakPolarHBondContact SG-CB 3.5Å; C384-C403 CovalentContact SG-SG 2.01Å; C384-C403 PolarHBondContact SG-SG 3.3Å; C384-T408 HydrophobicContact CB-CG2 3.92Å; C384-E412 HydrophobicContact CB-CG 4.36Å; C384-E412 VanDerWaalsContact CB-OE1 3.27Å; C384-E412 WeakPolarHBondContact CB-OE1 3.5Å
385	Y	96.1	Very high	94.9	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	155.7	178.7	40.8	-95.4	0	0	0	112.7	I234 E237 F242 L292 D296 L298 S382 S398 E412	I234-Y385 HydrophobicContact CD1-CE1 4.13Å; E237-Y385 PolarHBondContact OE1-OH 3.5Å; E237-Y385 PolarHBondContact OE2-OH 3.05Å; F242-Y385 HydrophobicContact CE1-CD2 4.46Å; F242-Y385 HydrophobicContact CE1-CE2 4.16Å; F242-Y385 AromaticContact CE2-CE2 3.67Å; F242-Y385 HydrophobicContact CE2-CE2 3.67Å; F242-Y385 HydrophobicContact CZ-CD2 4.08Å; F242-Y385 AromaticContact CZ-CE2 3.4Å; F242-Y385 HydrophobicContact CZ-CE2 3.4Å; L292-Y385 HydrophobicContact CD1-CD1 3.61Å; L292-Y385 HydrophobicContact CD1-CD2 4.35Å; L292-Y385 HydrophobicContact CD1-CE1 4.28Å; L292-Y385 HydrophobicContact CD1-CG 3.68Å; D296-Y385 CarbonylContact O-C 3.54Å; D296-Y385 WeakPolarHBondContact O-CA 3.34Å; D296-Y385 WeakPolarHBondContact O-CB 3.4Å; L298-Y385 HydrophobicContact CD1-CD2 3.8Å; L298-Y385 HydrophobicContact CD1-CE2 4.28Å; L298-Y385 HydrophobicContact CD2-CD2 4.03Å; L298-Y385 HydrophobicContact CD2-CG 4.5Å; L298-Y385 HydrophobicContact CG-CD2 3.96Å; S382-Y385 PolarHBondContact N-OH 3.29Å; S382-Y385 PolarHBondContact OG-OH 3.07Å; Y385-S398 VanDerWaalsContact CE2-CB 3.41Å; Y385-S398 PolarHBondContact N-O 3.42Å; Y385-S398 PolarHBondContact O-N 2.95Å; Y385-E412 WeakPolarHBondContact CA-OE2 3.48Å; Y385-E412 PolarHBondContact N-OE2 3.37Å
386	S	97.2	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.1	178.5	176.6	0	0	0	0	111.8	D296 I297 L298 E412 A416	D296-S386 PolarHBondContact O-N 3.42Å; I297-S386 WeakPolarHBondContact CA-O 3.14Å; L298-S386 PolarHBondContact N-O 3.47Å; S386-E412 VanDerWaalsContact CB-O 3.32Å; S386-E412 WeakPolarHBondContact CB-O 3.41Å; S386-E412 PolarHBondContact N-OE2 3.07Å; S386-E412 PolarHBondContact OG-O 3.12Å; S386-A416 PolarHBondContact OG-N 2.99Å
387	S	95.9	Very high	94.9	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	152.3	161.9	-68.8	0	0	0	0	111.7	L298 L391 H415 A416	L298-S387 WeakPolarHBondContact CB-OG 2.92Å; L298-S387 VanDerWaalsContact O-CA 3.26Å; L298-S387 WeakPolarHBondContact O-CA 3.31Å; L298-S387 WeakPolarHBondContact O-CB 3.22Å; L298-S387 PolarHBondContact O-OG 3.29Å; S387-L391 WeakPolarHBondContact OG-CD1 3.01Å; S387-H415 CarbonylContact O-C 3.48Å; S387-H415 VanDerWaalsContact O-C 3.28Å; S387-A416 WeakPolarHBondContact O-CA 3.44Å; S387-A416 PolarHBondContact O-N 3.22Å
388	V	92.8	Very high	94.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.141	C	C	.	.	S	Bend	trans	-88.2	119.3	176.7	178.9	0	0	0	0	111.4	I297 Q303 H415 G418 W420	I297-V388 HydrophobicContact CB-CG2 4.45Å; I297-V388 HydrophobicContact CD1-CG2 3.88Å; I297-V388 HydrophobicContact CG1-CG2 4.03Å; I297-V388 HydrophobicContact CG2-CG2 3.65Å; Q303-V388 PolarHBondContact NE2-O 3.07Å; V388-H415 CarbonylContact C-O 3.39Å; V388-H415 WeakPolarHBondContact CA-O 3.4Å; V388-H415 HydrophobicContact CG2-CB 4.39Å; V388-G418 WeakPolarHBondContact CG1-O 3.32Å; V388-W420 HydrophobicContact CB-CH2 4.39Å; V388-W420 HydrophobicContact CB-CZ2 4.16Å; V388-W420 HydrophobicContact CG1-CD2 4.17Å; V388-W420 HydrophobicContact CG1-CG 4.41Å; V388-W420 HydrophobicContact CG1-CZ2 4Å; V388-W420 HydrophobicContact CG2-CD2 4.23Å; V388-W420 HydrophobicContact CG2-CE3 4.17Å; V388-W420 HydrophobicContact CG2-CH2 4.37Å; V388-W420 HydrophobicContact CG2-CZ2 4.45Å; V388-W420 HydrophobicContact CG2-CZ3 4.21Å
389	G	93.2	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	78.5	-177.8	178.1	0	0	0	0	0	113.3	Q395 H415 A416	G389-Q395 PolarHBondContact O-NE2 2.66Å; G389-Q395 PolarHBondContact O-OE1 2.98Å; G389-Q395 VanDerWaalsContact O-OE1 3.09Å; G389-H415 PolarHBondContact N-O 2.92Å; G389-A416 CarbonylContact C-O 3.08Å; G389-A416 WeakPolarHBondContact CA-O 3.39Å; G389-A416 PolarHBondContact N-O 3.11Å
390	R	94.3	Very high	94.5	Very high	70 Å²	70	24.8 Å²	24.8	26%	0.264	14%	0.138	S	C	.	.			trans	-79.4	116.2	179.3	-169.5	-175	93.8	84.7	-9.2	110.9	S332 R333 W334 D374	S332-R390 WeakPolarHBondContact O-CB 3.5Å; S332-R390 PolarHBondContact O-N 3.47Å; R333-R390 WeakPolarHBondContact O-CD 3.5Å; W334-R390 HydrophobicContact CD2-CB 3.96Å; W334-R390 HydrophobicContact CD2-CG 3.73Å; W334-R390 HydrophobicContact CE3-CG 3.97Å; W334-R390 HydrophobicContact CG-CB 4.04Å; W334-R390 HydrophobicContact CG-CG 4.26Å; W334-R390 HydrophobicContact CH2-CG 4.11Å; W334-R390 HydrophobicContact CZ2-CB 4.24Å; W334-R390 HydrophobicContact CZ2-CG 3.88Å; W334-R390 HydrophobicContact CZ3-CG 4.16Å; D374-R390 IonicContact OD1-NH1 3.61Å; D374-R390 IonicContact OD2-CZ 3.38Å; D374-R390 IonicContact OD2-NH1 2.69Å; D374-R390 PolarHBondContact OD2-NH1 2.86Å; D374-R390 IonicContact OD2-NH2 2.99Å
391	L	92.5	Very high	94.2	Very high	79 Å²	79	22.6 Å²	22.6	41%	0.414	14%	0.141	S	C	.	.			trans	-89.8	-20.7	174	-59	-172.9	0	0	0	113.4	S387	S387-L391 WeakPolarHBondContact OG-CD1 3.01Å
392	G	91.6	Very high	94	Very high	27 Å²	27	24.2 Å²	24.2	28%	0.278	16%	0.158	S	C	.	.	S	Bend	trans	92.3	157.4	-172.4	0	0	0	0	0	112.6
393	G	94.3	Very high	94.1	Very high	31 Å²	31	22.3 Å²	22.3	32%	0.32	14%	0.144	S	C	.	.	S	Bend	trans	61.8	-150.5	-171.5	0	0	0	0	0	113.1	D374 R375 Q395	D374-G393 VanDerWaalsContact CA-O 3.29Å; D374-G393 WeakPolarHBondContact CA-O 3.12Å; D374-G393 WeakPolarHBondContact OD1-CA 3.33Å; D374-G393 PolarHBondContact OD1-N 3.3Å; R375-G393 PolarHBondContact N-O 2.96Å; G393-Q395 PolarHBondContact O-N 3.2Å
394	K	95.5	Very high	94	Very high	98 Å²	98	25.7 Å²	25.7	43%	0.426	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.9	175.5	-174.9	-171.5	72.4	160.7	0	109.1	R375 Q377	R375-K394 HydrophobicContact CG-CG 4.39Å; Q377-K394 HydrophobicContact CB-CD 4.42Å; Q377-K394 HydrophobicContact CB-CG 4.02Å; Q377-K394 VanDerWaalsContact OE1-CD 3.3Å
395	Q	96.2	Very high	94	Very high	8 Å²	8	33 Å²	33	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.6	178	177.1	174.1	-29.9	0	0	109.8	R375 I376 Q377 G389 G393	R375-Q395 PolarHBondContact O-N 3.5Å; I376-Q395 CarbonylContact C-O 3.58Å; I376-Q395 VanDerWaalsContact CA-O 3.32Å; I376-Q395 WeakPolarHBondContact CA-O 3.32Å; Q377-Q395 PolarHBondContact N-O 3.31Å; G389-Q395 PolarHBondContact O-NE2 2.66Å; G389-Q395 PolarHBondContact O-OE1 2.98Å; G389-Q395 VanDerWaalsContact O-OE1 3.09Å; G393-Q395 PolarHBondContact O-N 3.2Å
396	Q	97.9	Very high	94	Very high	22 Å²	22	35 Å²	35	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.4	-178.3	-74.5	147.7	-59	0	0	112.1	V241 F242 Q377 I379	V241-Q396 VanDerWaalsContact O-CD 3.3Å; V241-Q396 PolarHBondContact O-NE2 2.6Å; V241-Q396 PolarHBondContact O-OE1 2.5Å; F242-Q396 HydrophobicContact CD1-CB 3.78Å; F242-Q396 HydrophobicContact CE1-CB 3.47Å; F242-Q396 VanDerWaalsContact CE1-CB 3.47Å; F242-Q396 HydrophobicContact CZ-CB 4.23Å; Q377-Q396 HydrophobicContact CB-CG 4.06Å; Q377-Q396 HydrophobicContact CG-CG 4.45Å; Q377-Q396 CarbonylContact O-C 3.42Å; Q377-Q396 VanDerWaalsContact O-CA 3.27Å; Q377-Q396 WeakPolarHBondContact O-CA 3.24Å; I379-Q396 HydrophobicContact CD1-CB 4.05Å; I379-Q396 HydrophobicContact CD1-CG 4.12Å; I379-Q396 HydrophobicContact CG1-CB 4.22Å; I379-Q396 HydrophobicContact CG1-CG 4.41Å; I379-Q396 HydrophobicContact CG2-CG 4.22Å
397	V	98.5	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124	168.8	170.7	0	0	0	0	107.3	I376 Q377 Y378 I379 I399 E412 A416	I376-V397 HydrophobicContact CG2-CB 4.2Å; I376-V397 HydrophobicContact CG2-CG2 3.62Å; Q377-V397 PolarHBondContact O-N 2.93Å; Y378-V397 WeakPolarHBondContact CA-O 3.29Å; Y378-V397 HydrophobicContact CD1-CB 3.95Å; Y378-V397 HydrophobicContact CD1-CG1 3.85Å; Y378-V397 HydrophobicContact CE1-CB 4.08Å; Y378-V397 HydrophobicContact CE1-CG1 3.85Å; I379-V397 PolarHBondContact N-O 3.23Å; V397-I399 HydrophobicContact CG1-CD1 4.27Å; V397-I399 HydrophobicContact CG1-CG1 4.39Å; V397-E412 HydrophobicContact CG1-CB 3.52Å; V397-E412 HydrophobicContact CG1-CG 4.38Å; V397-A416 HydrophobicContact CG2-CB 4.07Å
398	S	97.6	Very high	93.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.7	-179.8	-171.2	0	0	0	0	111	G381 G383 C384 Y385	G381-S398 WeakPolarHBondContact CA-OG 3.23Å; G381-S398 PolarHBondContact N-OG 3.03Å; G381-S398 VanDerWaalsContact N-OG 3.17Å; G383-S398 WeakPolarHBondContact O-CB 3.45Å; G383-S398 PolarHBondContact O-OG 2.88Å; C384-S398 WeakPolarHBondContact CA-O 3.45Å; Y385-S398 VanDerWaalsContact CE2-CB 3.41Å; Y385-S398 PolarHBondContact N-O 3.42Å; Y385-S398 PolarHBondContact O-N 2.95Å
399	I	96.6	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	78.8	168.9	-55.5	-64.6	0	0	0	106.4	V345 I350 Y378 I379 V397 C403 E404 V409 E412	V345-I399 HydrophobicContact CG1-CB 3.92Å; V345-I399 HydrophobicContact CG1-CG2 3.73Å; V345-I399 HydrophobicContact CG2-CB 4.27Å; I350-I399 HydrophobicContact CD1-CB 4.38Å; I350-I399 HydrophobicContact CD1-CG1 3.9Å; I350-I399 HydrophobicContact CD1-CG2 4.4Å; Y378-I399 HydrophobicContact CD1-CG1 4.15Å; I379-I399 PolarHBondContact O-N 2.9Å; V397-I399 HydrophobicContact CG1-CD1 4.27Å; V397-I399 HydrophobicContact CG1-CG1 4.39Å; I399-C403 HydrophobicContact CB-CB 4.43Å; I399-C403 HydrophobicContact CG2-CB 3.8Å; I399-E404 HydrophobicContact CG2-CG 4.27Å; I399-V409 HydrophobicContact CD1-CG2 4.08Å; I399-V409 HydrophobicContact CG1-CG2 4.4Å; I399-V409 HydrophobicContact CG2-CG2 4.46Å; I399-E412 HydrophobicContact CD1-CB 4.1Å; I399-E412 HydrophobicContact CD1-CG 3.79Å
400	G	92.7	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.			trans	-74.4	-171.4	-178.4	0	0	0	0	0	114.4	G381 G383 G402 C403	G381-G400 VanDerWaalsContact O-CA 3.27Å; G381-G400 WeakPolarHBondContact O-CA 3.42Å; G383-G400 PolarHBondContact O-N 3.4Å; G400-G402 PolarHBondContact O-N 3.32Å; G400-C403 PolarHBondContact N-SG 2.64Å; G400-C403 VanDerWaalsContact N-SG 3.36Å; G400-C403 VanDerWaalsContact O-CB 3.27Å; G400-C403 WeakPolarHBondContact O-CB 3.48Å; G400-C403 PolarHBondContact O-N 2.92Å; G400-C403 VanDerWaalsContact O-N 3.09Å; G400-C403 PolarHBondContact O-SG 3.23Å
401	A	88.7	Confident	94.6	Very high	66 Å²	66	31.3 Å²	31.3	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	126.6	175.7	0	0	0	0	0	110.9	A286 C403	A286-A401 VanDerWaalsContact CB-O 3.24Å; A286-A401 WeakPolarHBondContact CB-O 3.46Å; A401-C403 VanDerWaalsContact C-N 3.35Å
402	G	87.5	Confident	94.8	Very high	49 Å²	49	27.6 Å²	27.6	51%	0.505	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-13.8	-175.2	0	0	0	0	0	114.6	G400	G400-G402 PolarHBondContact O-N 3.32Å
403	C	92.1	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.			trans	-89	-3.7	178.8	-49.2	0	0	0	0	113.7	C384 I399 G400 A401 R405 T408	C384-C403 WeakPolarHBondContact CA-SG 3.22Å; C384-C403 HydrophobicContact CB-CB 3.89Å; C384-C403 WeakPolarHBondContact CB-SG 3.35Å; C384-C403 PolarHBondContact N-SG 3Å; C384-C403 WeakPolarHBondContact SG-CB 3.5Å; C384-C403 CovalentContact SG-SG 2.01Å; C384-C403 PolarHBondContact SG-SG 3.3Å; I399-C403 HydrophobicContact CB-CB 4.43Å; I399-C403 HydrophobicContact CG2-CB 3.8Å; G400-C403 PolarHBondContact N-SG 2.64Å; G400-C403 VanDerWaalsContact N-SG 3.36Å; G400-C403 VanDerWaalsContact O-CB 3.27Å; G400-C403 WeakPolarHBondContact O-CB 3.48Å; G400-C403 PolarHBondContact O-N 2.92Å; G400-C403 VanDerWaalsContact O-N 3.09Å; G400-C403 PolarHBondContact O-SG 3.23Å; A401-C403 VanDerWaalsContact C-N 3.35Å; C403-R405 PolarHBondContact O-N 2.9Å; C403-T408 HydrophobicContact CB-CG2 3.94Å; C403-T408 WeakPolarHBondContact O-CB 3.19Å
404	E	90	Very high	95.2	Very high	78 Å²	78	24.9 Å²	24.9	36%	0.364	14%	0.136	S	C	.	.			trans	-77.8	58.5	-171.2	-65	177.6	124.9	0	0	111.8	V349 I399	V349-E404 HydrophobicContact CG2-CB 4.5Å; I399-E404 HydrophobicContact CG2-CG 4.27Å
405	R	93.1	Very high	95.3	Very high	155 Å²	155	20.2 Å²	20.2	59%	0.585	12%	0.116	S	C	*	.	S	Bend	trans	-129.3	150.7	176.1	-57.1	179.2	-176	-167	2	110.1	C403 G407 T408 V409	C403-R405 PolarHBondContact O-N 2.9Å; R405-G407 PolarHBondContact O-N 2.64Å; R405-T408 PolarHBondContact O-N 3.35Å; R405-V409 PolarHBondContact O-N 3.22Å; R405-V409 VanDerWaalsContact O-N 3.07Å
406	V	95.7	Very high	95.3	Very high	44 Å²	44	19.9 Å²	19.9	27%	0.267	11%	0.114	S	C	.	.	H	α-helix	trans	-58.9	-46.9	-176.8	176.3	0	0	0	0	111.8	A352 K356 V409 C410	A352-V406 HydrophobicContact CB-CG2 3.76Å; K356-V406 HydrophobicContact CG-CG1 3.94Å; V406-V409 PolarHBondContact O-N 3.45Å; V406-C410 PolarHBondContact O-N 2.89Å; V406-C410 PolarHBondContact O-SG 3.33Å
407	G	96	Very high	95.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-37.7	179.4	0	0	0	0	0	113.2	R405 V409 C410 H411 R498	R405-G407 PolarHBondContact O-N 2.64Å; G407-V409 PolarHBondContact O-N 3.08Å; G407-C410 WeakPolarHBondContact O-CB 3.24Å; G407-C410 PolarHBondContact O-N 2.9Å; G407-C410 VanDerWaalsContact O-N 3.12Å; G407-H411 WeakPolarHBondContact O-CB 3.38Å; G407-H411 PolarHBondContact O-N 2.94Å; G407-R498 VanDerWaalsContact CA-O 3.31Å; G407-R498 WeakPolarHBondContact CA-O 3.42Å
408	T	95.7	Very high	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-44.1	174.2	-45.2	0	0	0	0	111.2	E287 C384 C403 R405 C410 H411 E412	E287-T408 HydrophobicContact CG-CG2 4.31Å; E287-T408 PolarHBondContact OE1-OG1 2.86Å; C384-T408 HydrophobicContact CB-CG2 3.92Å; C403-T408 HydrophobicContact CB-CG2 3.94Å; C403-T408 WeakPolarHBondContact O-CB 3.19Å; R405-T408 PolarHBondContact O-N 3.35Å; T408-C410 VanDerWaalsContact C-N 3.28Å; T408-C410 PolarHBondContact O-N 2.5Å; T408-H411 PolarHBondContact O-N 3.41Å; T408-E412 HydrophobicContact CG2-CG 4.44Å; T408-E412 WeakPolarHBondContact O-CG 3.25Å; T408-E412 PolarHBondContact O-N 3.36Å
409	V	98.1	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-41.5	173	173.8	0	0	0	0	111.4	V349 I350 Y378 I399 R405 V406 G407 T413	V349-V409 HydrophobicContact CG1-CG2 3.86Å; I350-V409 HydrophobicContact CD1-CG1 4.32Å; I350-V409 HydrophobicContact CD1-CG2 3.76Å; Y378-V409 HydrophobicContact CE1-CG1 4.4Å; I399-V409 HydrophobicContact CD1-CG2 4.08Å; I399-V409 HydrophobicContact CG1-CG2 4.4Å; I399-V409 HydrophobicContact CG2-CG2 4.46Å; R405-V409 PolarHBondContact O-N 3.22Å; R405-V409 VanDerWaalsContact O-N 3.07Å; V406-V409 PolarHBondContact O-N 3.45Å; G407-V409 PolarHBondContact O-N 3.08Å; V409-T413 WeakPolarHBondContact O-CB 3.29Å; V409-T413 PolarHBondContact O-N 3.47Å; V409-T413 PolarHBondContact O-OG1 3.14Å
410	C	98.3	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-46.8	177.9	-65.5	0	0	0	0	111.3	G353 W357 V406 G407 T408 T413 S414 E467 P501	G353-C410 PolarHBondContact O-SG 2.73Å; W357-C410 HydrophobicContact CZ2-CB 3.97Å; W357-C410 PolarHBondContact NE1-O 3.02Å; V406-C410 PolarHBondContact O-N 2.89Å; V406-C410 PolarHBondContact O-SG 3.33Å; G407-C410 WeakPolarHBondContact O-CB 3.24Å; G407-C410 PolarHBondContact O-N 2.9Å; G407-C410 VanDerWaalsContact O-N 3.12Å; T408-C410 VanDerWaalsContact C-N 3.28Å; T408-C410 PolarHBondContact O-N 2.5Å; C410-T413 CarbonylContact O-C 3.53Å; C410-T413 WeakPolarHBondContact O-CB 3.48Å; C410-T413 PolarHBondContact O-N 3.31Å; C410-S414 PolarHBondContact O-N 3.38Å; C410-S414 PolarHBondContact O-OG 2.65Å; C410-E467 WeakPolarHBondContact CB-OE2 3.42Å; C410-P501 HydrophobicContact CB-CG 3.63Å
411	H	97.4	Very high	94.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-52.3	178.3	178.5	74.3	0	0	0	113.4	D296 G407 T408 T413 S414 H415 H421 E467 M468 R498	D296-H411 IonicContact OD2-CD2 3.51Å; D296-H411 IonicContact OD2-NE2 2.72Å; D296-H411 PolarHBondContact OD2-NE2 2.93Å; D296-H411 VanDerWaalsContact OD2-NE2 3.09Å; G407-H411 WeakPolarHBondContact O-CB 3.38Å; G407-H411 PolarHBondContact O-N 2.94Å; T408-H411 PolarHBondContact O-N 3.41Å; H411-T413 PolarHBondContact O-N 3.29Å; H411-S414 WeakPolarHBondContact O-CA 3.47Å; H411-S414 VanDerWaalsContact O-CB 3.24Å; H411-S414 WeakPolarHBondContact O-CB 3.41Å; H411-S414 PolarHBondContact O-N 3Å; H411-H415 AromaticContact CD2-CD2 3.96Å; H411-H415 AromaticContact CD2-NE2 3.85Å; H411-H415 AromaticContact CE1-NE2 3.3Å; H411-H415 PolarHBondContact CE1-NE2 3.36Å; H411-H415 VanDerWaalsContact CE1-NE2 3.3Å; H411-H415 AromaticContact NE2-CD2 3.72Å; H411-H415 AromaticContact NE2-NE2 3.13Å; H411-H415 PolarHBondContact NE2-NE2 2.7Å; H411-H415 VanDerWaalsContact NE2-NE2 3.13Å; H411-H415 PolarHBondContact O-N 3.3Å; H411-H421 AromaticContact CE1-CD2 3.87Å; H411-H421 AromaticContact CE1-NE2 3.78Å; H411-H421 AromaticContact NE2-NE2 3.82Å; H411-E467 PolarHBondContact ND1-O 2.9Å; H411-M468 WeakPolarHBondContact CE1-CE 3.32Å; H411-M468 WeakPolarHBondContact ND1-CE 3.27Å; H411-M468 PolarHBondContact ND1-SD 3.45Å; H411-R498 VanDerWaalsContact CD2-CZ 3.45Å; H411-R498 PolarHBondContact CD2-NH1 2.97Å; H411-R498 PolarHBondContact CD2-NH2 3.45Å; H411-R498 PolarHBondContact CE1-NH1 2.89Å; H411-R498 PolarHBondContact ND1-NH1 2.96Å; H411-R498 PolarHBondContact NE2-NH1 3.45Å; H411-R498 PolarHBondContact NE2-NH2 3.02Å
412	E	98	Very high	94.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-33.2	179.3	-59.4	-52	156.5	0	0	111.5	C384 Y385 S386 V397 I399 T408 H415 A416	C384-E412 HydrophobicContact CB-CG 4.36Å; C384-E412 VanDerWaalsContact CB-OE1 3.27Å; C384-E412 WeakPolarHBondContact CB-OE1 3.5Å; Y385-E412 WeakPolarHBondContact CA-OE2 3.48Å; Y385-E412 PolarHBondContact N-OE2 3.37Å; S386-E412 VanDerWaalsContact CB-O 3.32Å; S386-E412 WeakPolarHBondContact CB-O 3.41Å; S386-E412 PolarHBondContact N-OE2 3.07Å; S386-E412 PolarHBondContact OG-O 3.12Å; V397-E412 HydrophobicContact CG1-CB 3.52Å; V397-E412 HydrophobicContact CG1-CG 4.38Å; I399-E412 HydrophobicContact CD1-CB 4.1Å; I399-E412 HydrophobicContact CD1-CG 3.79Å; T408-E412 HydrophobicContact CG2-CG 4.44Å; T408-E412 WeakPolarHBondContact O-CG 3.25Å; T408-E412 PolarHBondContact O-N 3.36Å; E412-H415 PolarHBondContact O-N 2.96Å; E412-H415 IonicContact OE2-CD2 3.26Å; E412-A416 PolarHBondContact O-N 2.85Å; E412-A416 VanDerWaalsContact O-N 3.11Å
413	T	98.2	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.1	-38.6	171.9	-55.7	0	0	0	0	111.1	L354 F365 Y378 V409 C410 H411 H415 A416 L417	L354-T413 HydrophobicContact CD2-CG2 4.02Å; F365-T413 HydrophobicContact CE1-CG2 3.91Å; F365-T413 HydrophobicContact CZ-CG2 3.89Å; Y378-T413 WeakPolarHBondContact OH-CG2 3.5Å; Y378-T413 PolarHBondContact OH-OG1 3.47Å; V409-T413 WeakPolarHBondContact O-CB 3.29Å; V409-T413 PolarHBondContact O-N 3.47Å; V409-T413 PolarHBondContact O-OG1 3.14Å; C410-T413 CarbonylContact O-C 3.53Å; C410-T413 WeakPolarHBondContact O-CB 3.48Å; C410-T413 PolarHBondContact O-N 3.31Å; H411-T413 PolarHBondContact O-N 3.29Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 2.8Å; T413-A416 CarbonylContact O-C 3.56Å; T413-A416 WeakPolarHBondContact O-CB 3.39Å; T413-A416 PolarHBondContact O-N 3.42Å; T413-A416 VanDerWaalsContact O-N 3.14Å; T413-L417 HydrophobicContact CG2-CD1 4.13Å; T413-L417 HydrophobicContact CG2-CG 4.28Å; T413-L417 WeakPolarHBondContact O-CB 3.5Å; T413-L417 VanDerWaalsContact O-CG 3.22Å; T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.36Å
414	S	96.3	Very high	94.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-41.8	174.6	-82.3	0	0	0	0	111.9	W357 C410 H411 L417 G418 V419 E467 M468	W357-S414 WeakPolarHBondContact CH2-OG 3.41Å; W357-S414 WeakPolarHBondContact CZ2-OG 3.37Å; C410-S414 PolarHBondContact O-N 3.38Å; C410-S414 PolarHBondContact O-OG 2.65Å; H411-S414 WeakPolarHBondContact O-CA 3.47Å; H411-S414 VanDerWaalsContact O-CB 3.24Å; H411-S414 WeakPolarHBondContact O-CB 3.41Å; H411-S414 PolarHBondContact O-N 3Å; S414-L417 CarbonylContact O-C 3.58Å; S414-L417 WeakPolarHBondContact O-CB 3.22Å; S414-L417 PolarHBondContact O-N 3.31Å; S414-G418 PolarHBondContact O-N 3.13Å; S414-G418 VanDerWaalsContact O-N 3.1Å; S414-V419 WeakPolarHBondContact O-CB 3.48Å; S414-V419 WeakPolarHBondContact O-CG2 3.47Å; S414-V419 PolarHBondContact O-N 2.75Å; S414-E467 PolarHBondContact OG-OE1 3.01Å; S414-M468 WeakPolarHBondContact CB-SD 3.49Å
415	H	95.9	Very high	94.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.5	-53.4	169.4	-74.5	-46.7	0	0	0	111.3	D296 S387 V388 G389 H411 E412 T413 L417 G418 V419 H421 M468	D296-H415 IonicContact OD1-NE2 3.53Å; D296-H415 PolarHBondContact OD1-NE2 2.59Å; D296-H415 IonicContact OD2-NE2 3Å; S387-H415 CarbonylContact O-C 3.48Å; S387-H415 VanDerWaalsContact O-C 3.28Å; V388-H415 CarbonylContact C-O 3.39Å; V388-H415 WeakPolarHBondContact CA-O 3.4Å; V388-H415 HydrophobicContact CG2-CB 4.39Å; G389-H415 PolarHBondContact N-O 2.92Å; H411-H415 AromaticContact CD2-CD2 3.96Å; H411-H415 AromaticContact CD2-NE2 3.85Å; H411-H415 AromaticContact CE1-NE2 3.3Å; H411-H415 PolarHBondContact CE1-NE2 3.36Å; H411-H415 VanDerWaalsContact CE1-NE2 3.3Å; H411-H415 AromaticContact NE2-CD2 3.72Å; H411-H415 AromaticContact NE2-NE2 3.13Å; H411-H415 PolarHBondContact NE2-NE2 2.7Å; H411-H415 VanDerWaalsContact NE2-NE2 3.13Å; H411-H415 PolarHBondContact O-N 3.3Å; E412-H415 PolarHBondContact O-N 2.96Å; E412-H415 IonicContact OE2-CD2 3.26Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 2.8Å; H415-L417 PolarHBondContact O-N 3.29Å; H415-L417 VanDerWaalsContact O-N 3.11Å; H415-G418 WeakPolarHBondContact O-CA 3.2Å; H415-G418 PolarHBondContact O-N 3.37Å; H415-V419 PolarHBondContact ND1-O 3.21Å; H415-H421 AromaticContact CE1-CE1 3.82Å; H415-H421 AromaticContact CE1-NE2 3.86Å; H415-H421 AromaticContact NE2-CE1 3.9Å; H415-H421 AromaticContact NE2-NE2 3.69Å; H415-M468 WeakPolarHBondContact CE1-CE 3.32Å; H415-M468 WeakPolarHBondContact ND1-CE 3.49Å
416	A	97.1	Very high	94.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-56.6	-31.6	177.3	0	0	0	0	0	113.1	W334 I376 S386 S387 G389 V397 E412 T413 G418	W334-A416 VanDerWaalsContact CD1-O 3.31Å; W334-A416 PolarHBondContact NE1-O 3.4Å; I376-A416 HydrophobicContact CD1-CB 3.76Å; I376-A416 HydrophobicContact CG1-CB 4.43Å; S386-A416 PolarHBondContact OG-N 2.99Å; S387-A416 WeakPolarHBondContact O-CA 3.44Å; S387-A416 PolarHBondContact O-N 3.22Å; G389-A416 CarbonylContact C-O 3.08Å; G389-A416 WeakPolarHBondContact CA-O 3.39Å; G389-A416 PolarHBondContact N-O 3.11Å; V397-A416 HydrophobicContact CG2-CB 4.07Å; E412-A416 PolarHBondContact O-N 2.85Å; E412-A416 VanDerWaalsContact O-N 3.11Å; T413-A416 CarbonylContact O-C 3.56Å; T413-A416 WeakPolarHBondContact O-CB 3.39Å; T413-A416 PolarHBondContact O-N 3.42Å; T413-A416 VanDerWaalsContact O-N 3.14Å; A416-G418 VanDerWaalsContact C-N 3.26Å; A416-G418 PolarHBondContact O-N 3.41Å
417	L	95.1	Very high	93.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.9	174.1	-66.9	174.2	0	0	0	114.1	I338 L363 F365 T413 S414 H415 L509 Y513	I338-L417 HydrophobicContact CD1-CD2 3.35Å; L363-L417 HydrophobicContact CD1-CD1 3.66Å; L363-L417 HydrophobicContact CD1-CD2 3.78Å; L363-L417 HydrophobicContact CD1-CG 4.37Å; F365-L417 HydrophobicContact CZ-CD1 4.26Å; F365-L417 HydrophobicContact CZ-CD2 4.31Å; T413-L417 HydrophobicContact CG2-CD1 4.13Å; T413-L417 HydrophobicContact CG2-CG 4.28Å; T413-L417 WeakPolarHBondContact O-CB 3.5Å; T413-L417 VanDerWaalsContact O-CG 3.22Å; T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.36Å; S414-L417 CarbonylContact O-C 3.58Å; S414-L417 WeakPolarHBondContact O-CB 3.22Å; S414-L417 PolarHBondContact O-N 3.31Å; H415-L417 PolarHBondContact O-N 3.29Å; H415-L417 VanDerWaalsContact O-N 3.11Å; L417-L509 HydrophobicContact CB-CD2 3.76Å; L417-L509 HydrophobicContact CD1-CD1 3.61Å; L417-L509 HydrophobicContact CD1-CD2 3.95Å; L417-L509 HydrophobicContact CD1-CG 4.44Å; L417-L509 HydrophobicContact CG-CD2 4.5Å; L417-Y513 HydrophobicContact CB-CE2 4.34Å; L417-Y513 WeakPolarHBondContact O-CE2 3.41Å; L417-Y513 PolarHBondContact O-OH 3.45Å
418	G	91.9	Very high	93.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.1	5.7	171.5	0	0	0	0	0	115.2	I326 A327 V388 S414 H415 A416	I326-G418 CarbonylContact C-O 3.52Å; I326-G418 WeakPolarHBondContact CA-O 3.38Å; A327-G418 PolarHBondContact N-O 2.66Å; A327-G418 VanDerWaalsContact N-O 3.1Å; V388-G418 WeakPolarHBondContact CG1-O 3.32Å; S414-G418 PolarHBondContact O-N 3.13Å; S414-G418 VanDerWaalsContact O-N 3.1Å; H415-G418 WeakPolarHBondContact O-CA 3.2Å; H415-G418 PolarHBondContact O-N 3.37Å; A416-G418 VanDerWaalsContact C-N 3.26Å; A416-G418 PolarHBondContact O-N 3.41Å
419	V	91.4	Very high	93.6	Very high	13 Å²	13	8.4 Å²	8.4	8%	0.079	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-83.2	131.8	-176.2	-170.8	0	0	0	0	110.7	I326 S414 H415 M468 V508 L509	I326-V419 HydrophobicContact CD1-CG2 3.8Å; I326-V419 HydrophobicContact CG1-CG2 4.15Å; S414-V419 WeakPolarHBondContact O-CB 3.48Å; S414-V419 WeakPolarHBondContact O-CG2 3.47Å; S414-V419 PolarHBondContact O-N 2.75Å; H415-V419 PolarHBondContact ND1-O 3.21Å; V419-M468 HydrophobicContact CB-CE 4.25Å; V419-M468 HydrophobicContact CG1-CE 4.08Å; V419-M468 HydrophobicContact CG1-CG 3.83Å; V419-M468 HydrophobicContact CG1-SD 4.3Å; V419-V508 HydrophobicContact CG1-CG1 4.49Å; V419-V508 HydrophobicContact CG2-CG1 4.2Å; V419-L509 HydrophobicContact CG2-CD2 3.65Å; V419-L509 HydrophobicContact CG2-CG 4.34Å
420	W	90.6	Very high	93.5	Very high	16 Å²	16	13.7 Å²	13.7	6%	0.061	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-94.1	169.7	170.5	-62.5	81.8	0	0	0	110.2	Y293 I297 L299 L307 A324 A325 V388 L450	Y293-W420 AromaticContact CD1-CZ3 3.9Å; Y293-W420 HydrophobicContact CD1-CZ3 3.9Å; Y293-W420 HydrophobicContact CE1-CE3 4.21Å; Y293-W420 AromaticContact CE1-CZ3 3.58Å; Y293-W420 HydrophobicContact CE1-CZ3 3.58Å; I297-W420 HydrophobicContact CD1-CE3 3.59Å; I297-W420 HydrophobicContact CD1-CZ3 3.87Å; I297-W420 HydrophobicContact CG2-CZ3 4.16Å; L299-W420 HydrophobicContact CD2-CH2 3.79Å; L299-W420 HydrophobicContact CD2-CZ3 4.08Å; L307-W420 HydrophobicContact CD1-CH2 4.33Å; A324-W420 PolarHBondContact O-NE1 2.8Å; A325-W420 VanDerWaalsContact C-CD1 3.46Å; A325-W420 VanDerWaalsContact O-CD1 3.26Å; A325-W420 PolarHBondContact O-N 3.49Å; V388-W420 HydrophobicContact CB-CH2 4.39Å; V388-W420 HydrophobicContact CB-CZ2 4.16Å; V388-W420 HydrophobicContact CG1-CD2 4.17Å; V388-W420 HydrophobicContact CG1-CG 4.41Å; V388-W420 HydrophobicContact CG1-CZ2 4Å; V388-W420 HydrophobicContact CG2-CD2 4.23Å; V388-W420 HydrophobicContact CG2-CE3 4.17Å; V388-W420 HydrophobicContact CG2-CH2 4.37Å; V388-W420 HydrophobicContact CG2-CZ2 4.45Å; V388-W420 HydrophobicContact CG2-CZ3 4.21Å; W420-L450 HydrophobicContact CB-CD1 3.93Å; W420-L450 HydrophobicContact CD2-CD1 4.32Å; W420-L450 HydrophobicContact CG-CD1 3.9Å
421	H	93	Very high	93.4	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-62.6	147.3	178.9	-69.2	110.5	0	0	0	114.7	E294 D296 H411 H415 Q423 S424 M468 Y470	E294-H421 WeakPolarHBondContact CB-ND1 3.46Å; E294-H421 PolarHBondContact O-CE1 3.35Å; E294-H421 IonicContact OE2-CE1 2.66Å; E294-H421 IonicContact OE2-CG 3.85Å; E294-H421 IonicContact OE2-ND1 3.68Å; E294-H421 PolarHBondContact OE2-ND1 3.19Å; D296-H421 IonicContact OD1-CE1 2.75Å; D296-H421 PolarHBondContact OD1-CE1 3.28Å; D296-H421 IonicContact OD1-NE2 2.81Å; D296-H421 PolarHBondContact OD1-NE2 2.72Å; D296-H421 IonicContact OD2-CE1 2.86Å; D296-H421 IonicContact OD2-NE2 3.14Å; D296-H421 PolarHBondContact OD2-NE2 2.94Å; H411-H421 AromaticContact CE1-CD2 3.87Å; H411-H421 AromaticContact CE1-NE2 3.78Å; H411-H421 AromaticContact NE2-NE2 3.82Å; H415-H421 AromaticContact CE1-CE1 3.82Å; H415-H421 AromaticContact CE1-NE2 3.86Å; H415-H421 AromaticContact NE2-CE1 3.9Å; H415-H421 AromaticContact NE2-NE2 3.69Å; H421-Q423 VanDerWaalsContact C-N 3.33Å; H421-Q423 PolarHBondContact O-N 2.94Å; H421-S424 PolarHBondContact O-N 2.96Å; H421-S424 VanDerWaalsContact O-N 3.09Å; H421-S424 PolarHBondContact O-OG 3.09Å; H421-M468 CarbonylContact C-O 3.55Å; H421-M468 VanDerWaalsContact CA-O 3.29Å; H421-M468 WeakPolarHBondContact CA-O 3.46Å; H421-M468 WeakPolarHBondContact CB-O 3.29Å; H421-M468 PolarHBondContact CD2-O 2.69Å; H421-M468 VanDerWaalsContact CD2-O 3.31Å; H421-Y470 AromaticContact CD2-CD1 3.96Å; H421-Y470 AromaticContact CD2-CE1 3.78Å; H421-Y470 AromaticContact CE1-CE1 3.71Å; H421-Y470 AromaticContact NE2-CE1 3.52Å
422	E	93.3	Very high	93.4	Very high	19 Å²	19	17.4 Å²	17.4	9%	0.089	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-65.9	-37.4	178	-173.1	64.9	-167.7	0	0	111.1	S424 R425 Y462 D463 M468 H469	E422-S424 PolarHBondContact O-N 3.09Å; E422-R425 WeakPolarHBondContact O-CB 3.46Å; E422-R425 WeakPolarHBondContact O-CD 3.46Å; E422-R425 WeakPolarHBondContact O-CG 3.43Å; E422-R425 PolarHBondContact O-N 2.97Å; E422-R425 WeakPolarHBondContact OE1-CD 3.33Å; E422-R425 IonicContact OE1-CZ 3.42Å; E422-R425 IonicContact OE1-NE 3.59Å; E422-R425 IonicContact OE1-NH1 3.52Å; E422-R425 WeakPolarHBondContact OE2-CD 3.44Å; E422-R425 IonicContact OE2-NH1 3.07Å; E422-Y462 HydrophobicContact CG-CD2 4.36Å; E422-Y462 HydrophobicContact CG-CE2 4.02Å; E422-Y462 WeakPolarHBondContact O-CE2 3.46Å; E422-Y462 VanDerWaalsContact OE1-CA 3.28Å; E422-Y462 WeakPolarHBondContact OE1-CA 3.22Å; E422-Y462 WeakPolarHBondContact OE1-CD2 3.45Å; E422-D463 PolarHBondContact OE1-N 3.19Å; E422-M468 HydrophobicContact CB-CB 4.4Å; E422-M468 PolarHBondContact N-O 2.93Å; E422-H469 HydrophobicContact CB-CB 3.9Å; E422-H469 HydrophobicContact CG-CB 4.37Å
423	Q	92.5	Very high	93.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-73.9	-2.2	175.2	85	-69.2	-22.8	0	0	113.9	H421 R428 I432 M468 Y470 I484	H421-Q423 VanDerWaalsContact C-N 3.33Å; H421-Q423 PolarHBondContact O-N 2.94Å; Q423-R428 WeakPolarHBondContact O-CD 3.5Å; Q423-R428 PolarHBondContact O-NE 2.92Å; Q423-R428 PolarHBondContact O-NH1 3.06Å; Q423-I432 HydrophobicContact CB-CD1 4.02Å; Q423-M468 PolarHBondContact OE1-O 3.02Å; Q423-Y470 VanDerWaalsContact CD-CD1 3.48Å; Q423-Y470 HydrophobicContact CG-CD2 3.81Å; Q423-Y470 HydrophobicContact CG-CE2 4.37Å; Q423-Y470 HydrophobicContact CG-CG 3.9Å; Q423-Y470 VanDerWaalsContact NE2-CE2 3.35Å; Q423-I484 HydrophobicContact CB-CD1 4.29Å; Q423-I484 HydrophobicContact CG-CD1 4.17Å
424	S	89.9	Confident	93.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.5	172.8	71.4	0	0	0	0	112.6	E294 H421 E422 R449 L450	E294-S424 WeakPolarHBondContact OE1-CB 3.3Å; H421-S424 PolarHBondContact O-N 2.96Å; H421-S424 VanDerWaalsContact O-N 3.09Å; H421-S424 PolarHBondContact O-OG 3.09Å; E422-S424 PolarHBondContact O-N 3.09Å; S424-R449 CarbonylContact O-C 3.46Å; S424-R449 WeakPolarHBondContact O-CA 3.44Å; S424-L450 PolarHBondContact O-N 2.53Å
425	R	88.6	Confident	92.9	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.023	13%	0.126	C	C	.	.			trans	-55.9	146.8	176.9	-70.4	173.3	58	122.8	-7	113.7	E422 D427 R428 V460 Y462	E422-R425 WeakPolarHBondContact O-CB 3.46Å; E422-R425 WeakPolarHBondContact O-CD 3.46Å; E422-R425 WeakPolarHBondContact O-CG 3.43Å; E422-R425 PolarHBondContact O-N 2.97Å; E422-R425 WeakPolarHBondContact OE1-CD 3.33Å; E422-R425 IonicContact OE1-CZ 3.42Å; E422-R425 IonicContact OE1-NE 3.59Å; E422-R425 IonicContact OE1-NH1 3.52Å; E422-R425 WeakPolarHBondContact OE2-CD 3.44Å; E422-R425 IonicContact OE2-NH1 3.07Å; R425-D427 VanDerWaalsContact C-N 3.31Å; R425-D427 WeakPolarHBondContact CB-OD1 3.26Å; R425-D427 IonicContact CZ-OD1 3.16Å; R425-D427 IonicContact CZ-OD2 2.74Å; R425-D427 IonicContact NE-OD1 3.81Å; R425-D427 PolarHBondContact NE-OD1 3.18Å; R425-D427 IonicContact NE-OD2 3.46Å; R425-D427 IonicContact NH2-OD1 2.73Å; R425-D427 PolarHBondContact NH2-OD1 3.11Å; R425-D427 IonicContact NH2-OD2 3.98Å; R425-D427 PolarHBondContact NH2-OD2 2.8Å; R425-D427 PolarHBondContact O-N 3.26Å; R425-R428 HydrophobicContact CB-CB 4.39Å; R425-R428 WeakPolarHBondContact O-CB 3.44Å; R425-R428 WeakPolarHBondContact O-CG 3.25Å; R425-R428 PolarHBondContact O-N 3.14Å; R425-V460 PolarHBondContact NH1-O 3.45Å; R425-V460 PolarHBondContact NH2-O 3.48Å; R425-Y462 HydrophobicContact CB-CE2 4.5Å
426	T	85	Confident	92.6	Very high	32 Å²	32	24.9 Å²	24.9	20%	0.196	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.7	177.1	46.8	0	0	0	0	113.5	R449 L450 N453	T426-R449 PolarHBondContact O-NH1 3.14Å; T426-L450 WeakPolarHBondContact CG2-O 3.43Å; T426-N453 HydrophobicContact CG2-CB 4.31Å; T426-N453 WeakPolarHBondContact OG1-CB 3.27Å
427	D	89.5	Confident	92	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.9	-177.3	70.6	-31.2	0	0	0	114	R425 D429 N430 Y431 L457	R425-D427 VanDerWaalsContact C-N 3.31Å; R425-D427 WeakPolarHBondContact CB-OD1 3.26Å; R425-D427 IonicContact CZ-OD1 3.16Å; R425-D427 IonicContact CZ-OD2 2.74Å; R425-D427 IonicContact NE-OD1 3.81Å; R425-D427 PolarHBondContact NE-OD1 3.18Å; R425-D427 IonicContact NE-OD2 3.46Å; R425-D427 IonicContact NH2-OD1 2.73Å; R425-D427 PolarHBondContact NH2-OD1 3.11Å; R425-D427 IonicContact NH2-OD2 3.98Å; R425-D427 PolarHBondContact NH2-OD2 2.8Å; R425-D427 PolarHBondContact O-N 3.26Å; D427-D429 PolarHBondContact O-N 2.96Å; D427-N430 WeakPolarHBondContact O-CB 3.23Å; D427-N430 PolarHBondContact O-N 2.81Å; D427-Y431 WeakPolarHBondContact O-CD2 3.37Å; D427-L457 HydrophobicContact CB-CD1 4.46Å; D427-L457 HydrophobicContact CB-CD2 3.89Å; D427-L457 VanDerWaalsContact OD1-CD2 3.3Å; D427-L457 WeakPolarHBondContact OD1-CD2 3.32Å; D427-L457 WeakPolarHBondContact OD2-CD2 3.26Å
428	R	92.4	Very high	91.6	Very high	3 Å²	3	27 Å²	27	1%	0.011	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.8	-173.8	78.8	-177.8	-171.4	-157.4	-2.3	113.5	Q423 R425 N430 Y431 I432 Y436 F447 E448 R449 Y462	Q423-R428 WeakPolarHBondContact O-CD 3.5Å; Q423-R428 PolarHBondContact O-NE 2.92Å; Q423-R428 PolarHBondContact O-NH1 3.06Å; R425-R428 HydrophobicContact CB-CB 4.39Å; R425-R428 WeakPolarHBondContact O-CB 3.44Å; R425-R428 WeakPolarHBondContact O-CG 3.25Å; R425-R428 PolarHBondContact O-N 3.14Å; R428-N430 PolarHBondContact O-N 3.34Å; R428-Y431 WeakPolarHBondContact O-CA 3.34Å; R428-Y431 PolarHBondContact O-N 2.98Å; R428-I432 HydrophobicContact CB-CD1 4.35Å; R428-I432 HydrophobicContact CB-CG1 4.15Å; R428-I432 HydrophobicContact CG-CD1 4.39Å; R428-I432 HydrophobicContact CG-CG1 4.26Å; R428-I432 WeakPolarHBondContact O-CG1 3.31Å; R428-I432 PolarHBondContact O-N 3.17Å; R428-Y436 PolarHBondContact NH2-OH 2.93Å; R428-F447 VanDerWaalsContact CZ-O 3.32Å; R428-F447 PolarHBondContact NH1-O 3.34Å; R428-F447 PolarHBondContact NH2-O 3.08Å; R428-E448 PolarHBondContact NH1-O 3.15Å; R428-R449 HydrophobicContact CG-CG 4.15Å; R428-R449 VanDerWaalsContact NE-CG 3.25Å; R428-Y462 HydrophobicContact CB-CE2 3.71Å
429	D	93.5	Very high	91.3	Very high	56 Å²	56	27 Å²	27	30%	0.299	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-68.6	-10.1	-175.6	-64.4	-9.1	0	0	0	111.1	D427 Y431 R449 K487	D427-D429 PolarHBondContact O-N 2.96Å; D429-Y431 VanDerWaalsContact C-N 3.3Å; D429-R449 IonicContact OD2-CZ 3.85Å; D429-R449 IonicContact OD2-NE 3.91Å; D429-R449 IonicContact OD2-NH1 2.94Å; D429-R449 PolarHBondContact OD2-NH1 2.98Å; D429-R449 IonicContact OD2-NH2 3.26Å; D429-R449 PolarHBondContact OD2-NH2 3.44Å; D429-K487 WeakPolarHBondContact O-CE 3.46Å; D429-K487 PolarHBondContact O-NZ 2.94Å
430	N	95.3	Very high	90.9	Very high	112 Å²	112	26.5 Å²	26.5	60%	0.599	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-78.2	-14.1	168.6	-64.7	-33.9	0	0	0	113.2	D427 R428 K487	D427-N430 WeakPolarHBondContact O-CB 3.23Å; D427-N430 PolarHBondContact O-N 2.81Å; R428-N430 PolarHBondContact O-N 3.34Å; N430-K487 WeakPolarHBondContact O-CD 3.36Å
431	Y	97	Very high	90.4	Very high	75 Å²	75	26 Å²	26	29%	0.294	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-31.6	-170.8	-58.3	-84.2	0	0	0	113.4	D427 R428 D429 Y462 F464 K487	D427-Y431 WeakPolarHBondContact O-CD2 3.37Å; R428-Y431 WeakPolarHBondContact O-CA 3.34Å; R428-Y431 PolarHBondContact O-N 2.98Å; D429-Y431 VanDerWaalsContact C-N 3.3Å; Y431-Y462 HydrophobicContact CD1-CD1 4.03Å; Y431-Y462 HydrophobicContact CD1-CG 4.14Å; Y431-Y462 VanDerWaalsContact CD2-CB 3.48Å; Y431-Y462 AromaticContact CD2-CD1 3.98Å; Y431-Y462 HydrophobicContact CD2-CD1 3.98Å; Y431-Y462 AromaticContact CD2-CD2 3.85Å; Y431-Y462 HydrophobicContact CD2-CD2 3.85Å; Y431-Y462 AromaticContact CD2-CG 3.5Å; Y431-Y462 HydrophobicContact CD2-CG 3.5Å; Y431-Y462 VanDerWaalsContact CD2-CG 3.5Å; Y431-Y462 VanDerWaalsContact CE2-CB 3.4Å; Y431-Y462 HydrophobicContact CE2-CD2 4.36Å; Y431-Y462 AromaticContact CE2-CG 3.96Å; Y431-Y462 HydrophobicContact CE2-CG 3.96Å; Y431-Y462 AromaticContact CG-CD1 3.57Å; Y431-Y462 HydrophobicContact CG-CD1 3.57Å; Y431-Y462 HydrophobicContact CG-CD2 4.29Å; Y431-Y462 HydrophobicContact CG-CE1 4.24Å; Y431-Y462 AromaticContact CG-CG 3.59Å; Y431-Y462 HydrophobicContact CG-CG 3.59Å; Y431-F464 HydrophobicContact CD1-CE2 4.34Å; Y431-F464 HydrophobicContact CD1-CZ 4.08Å; Y431-F464 HydrophobicContact CG-CZ 4.4Å; Y431-K487 WeakPolarHBondContact O-CB 3.43Å; Y431-K487 PolarHBondContact O-N 2.82Å
432	I	97.9	Very high	89.8	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.1	-179.4	63.6	163.4	0	0	0	111.9	Q423 R428 V434 Y462 F464 I484 Q485 T486	Q423-I432 HydrophobicContact CB-CD1 4.02Å; R428-I432 HydrophobicContact CB-CD1 4.35Å; R428-I432 HydrophobicContact CB-CG1 4.15Å; R428-I432 HydrophobicContact CG-CD1 4.39Å; R428-I432 HydrophobicContact CG-CG1 4.26Å; R428-I432 WeakPolarHBondContact O-CG1 3.31Å; R428-I432 PolarHBondContact O-N 3.17Å; I432-V434 HydrophobicContact CD1-CG2 4.37Å; I432-Y462 HydrophobicContact CG2-CE1 4.22Å; I432-F464 HydrophobicContact CG2-CE1 4.03Å; I432-I484 HydrophobicContact CB-CG2 3.83Å; I432-I484 HydrophobicContact CD1-CG2 3.66Å; I432-I484 HydrophobicContact CG1-CG2 4.34Å; I432-I484 HydrophobicContact CG2-CG2 3.91Å; I432-Q485 CarbonylContact C-O 3.6Å; I432-Q485 VanDerWaalsContact CA-O 3.28Å; I432-Q485 WeakPolarHBondContact CA-O 3.13Å; I432-T486 HydrophobicContact CG2-CG2 4.32Å
433	S	96.6	Very high	89.4	Confident	59 Å²	59	25.4 Å²	25.4	41%	0.413	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.3	167.9	-63.1	0	0	0	0	108.8	Q485	S433-Q485 PolarHBondContact N-O 2.9Å; S433-Q485 PolarHBondContact O-N 3.42Å
434	V	93.4	Very high	89	Confident	25 Å²	25	25.3 Å²	25.3	15%	0.152	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.9	178.3	-179.2	0	0	0	0	109.5	I432 Y436 I439 F447 T483	I432-V434 HydrophobicContact CD1-CG2 4.37Å; V434-Y436 HydrophobicContact CB-CD2 4.45Å; V434-Y436 HydrophobicContact CB-CE2 3.89Å; V434-Y436 HydrophobicContact CG1-CD1 4.08Å; V434-Y436 HydrophobicContact CG1-CD2 4.18Å; V434-Y436 HydrophobicContact CG1-CE1 3.77Å; V434-Y436 HydrophobicContact CG1-CE2 3.86Å; V434-Y436 HydrophobicContact CG1-CG 4.28Å; V434-Y436 PolarHBondContact O-N 3.37Å; V434-I439 HydrophobicContact CG1-CD1 3.46Å; V434-I439 VanDerWaalsContact CG1-CD1 3.46Å; V434-F447 HydrophobicContact CG1-CB 3.98Å; V434-F447 HydrophobicContact CG1-CD1 3.74Å; V434-F447 HydrophobicContact CG1-CG 4.06Å; V434-F447 HydrophobicContact CG2-CD1 4.39Å; V434-T483 WeakPolarHBondContact CA-O 3.27Å
435	N	91.6	Very high	88.7	Confident	51 Å²	51	25.5 Å²	25.5	27%	0.273	14%	0.138	S	C	.	.			trans	-93.4	85.5	177	-179.1	12.9	0	0	0	110.6	N437 N438 Y482 T483	N435-N437 PolarHBondContact O-N 3.03Å; N435-N437 VanDerWaalsContact O-N 3.16Å; N435-N437 WeakPolarHBondContact OD1-CB 3.33Å; N435-N437 PolarHBondContact OD1-N 3.19Å; N435-N438 WeakPolarHBondContact ND2-CB 3.44Å; N435-N438 PolarHBondContact O-N 3.42Å; N435-Y482 PolarHBondContact ND2-O 2.89Å; N435-T483 PolarHBondContact N-O 3.11Å
436	Y	88.1	Confident	88.7	Confident	24 Å²	24	25.3 Å²	25.3	9%	0.094	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-60.1	-24.4	-179.2	-67.7	-74.9	0	0	0	113.9	R263 L267 R428 V434 N438 I439 V444 F447	R263-Y436 HydrophobicContact CG-CD1 4.26Å; R263-Y436 HydrophobicContact CG-CE1 4.13Å; R263-Y436 VanDerWaalsContact CZ-CZ 3.44Å; R263-Y436 PolarHBondContact NH1-OH 2.82Å; R263-Y436 VanDerWaalsContact NH1-OH 3.11Å; R263-Y436 PolarHBondContact NH2-OH 2.87Å; L267-Y436 HydrophobicContact CD2-CD1 4.46Å; L267-Y436 HydrophobicContact CD2-CD2 4.2Å; L267-Y436 HydrophobicContact CD2-CG 3.83Å; R428-Y436 PolarHBondContact NH2-OH 2.93Å; V434-Y436 HydrophobicContact CB-CD2 4.45Å; V434-Y436 HydrophobicContact CB-CE2 3.89Å; V434-Y436 HydrophobicContact CG1-CD1 4.08Å; V434-Y436 HydrophobicContact CG1-CD2 4.18Å; V434-Y436 HydrophobicContact CG1-CE1 3.77Å; V434-Y436 HydrophobicContact CG1-CE2 3.86Å; V434-Y436 HydrophobicContact CG1-CG 4.28Å; V434-Y436 PolarHBondContact O-N 3.37Å; Y436-N438 PolarHBondContact O-N 3.32Å; Y436-I439 HydrophobicContact CD1-CD1 4.1Å; Y436-I439 PolarHBondContact O-N 3.28Å; Y436-V444 HydrophobicContact CD1-CG2 3.76Å; Y436-F447 HydrophobicContact CE1-CB 3.88Å; Y436-F447 PolarHBondContact OH-O 2.8Å
437	N	85.5	Confident	88.9	Confident	41 Å²	41	23.8 Å²	23.8	22%	0.219	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-70.4	-17.8	177.2	-60.6	-40.3	0	0	0	113.8	E271 K274 N435	E271-N437 WeakPolarHBondContact CA-OD1 3.49Å; E271-N437 VanDerWaalsContact CB-OD1 3.26Å; E271-N437 WeakPolarHBondContact CB-OD1 3.35Å; E271-N437 WeakPolarHBondContact CG-OD1 3.44Å; E271-N437 PolarHBondContact O-OD1 3.34Å; K274-N437 HydrophobicContact CB-CB 4.16Å; K274-N437 HydrophobicContact CD-CB 4.1Å; N435-N437 PolarHBondContact O-N 3.03Å; N435-N437 VanDerWaalsContact O-N 3.16Å; N435-N437 WeakPolarHBondContact OD1-CB 3.33Å; N435-N437 PolarHBondContact OD1-N 3.19Å
438	N	86.5	Confident	88.8	Confident	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-109.9	8.3	179.4	-168.2	41.5	0	0	0	112.3	N435 Y436 A476 V477 N478 Q481 Y482 T483	N435-N438 WeakPolarHBondContact ND2-CB 3.44Å; N435-N438 PolarHBondContact O-N 3.42Å; Y436-N438 PolarHBondContact O-N 3.32Å; N438-A476 CarbonylContact O-C 3.49Å; N438-A476 VanDerWaalsContact O-CA 3.3Å; N438-A476 WeakPolarHBondContact O-CA 3.1Å; N438-V477 PolarHBondContact O-N 2.95Å; N438-N478 PolarHBondContact ND2-O 3.25Å; N438-N478 VanDerWaalsContact ND2-O 3.15Å; N438-N478 WeakPolarHBondContact OD1-CA 3.39Å; N438-N478 VanDerWaalsContact OD1-CB 3.32Å; N438-N478 WeakPolarHBondContact OD1-CB 3.4Å; N438-N478 PolarHBondContact OD1-N 3.05Å; N438-N478 PolarHBondContact OD1-O 2.84Å; N438-Q481 WeakPolarHBondContact ND2-CB 3.29Å; N438-Q481 PolarHBondContact ND2-O 2.92Å; N438-Y482 PolarHBondContact ND2-O 2.78Å; N438-T483 HydrophobicContact CB-CG2 4.36Å; N438-T483 WeakPolarHBondContact O-CG2 3.05Å
439	I	85.2	Confident	88.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-98.5	135.4	176.9	-66.6	163.7	0	0	0	108.8	V434 Y436 A443 V444 F447 F475 T483	V434-I439 HydrophobicContact CG1-CD1 3.46Å; V434-I439 VanDerWaalsContact CG1-CD1 3.46Å; Y436-I439 HydrophobicContact CD1-CD1 4.1Å; Y436-I439 PolarHBondContact O-N 3.28Å; I439-A443 HydrophobicContact CG2-CB 4.18Å; I439-V444 HydrophobicContact CG2-CB 4.36Å; I439-F447 HydrophobicContact CB-CE2 4.42Å; I439-F447 HydrophobicContact CD1-CB 4.32Å; I439-F447 HydrophobicContact CD1-CD1 3.78Å; I439-F447 HydrophobicContact CD1-CD2 3.53Å; I439-F447 HydrophobicContact CD1-CE1 3.85Å; I439-F447 HydrophobicContact CD1-CE2 3.62Å; I439-F447 HydrophobicContact CD1-CG 3.62Å; I439-F447 HydrophobicContact CD1-CZ 3.78Å; I439-F447 HydrophobicContact CG1-CD2 4.24Å; I439-F447 HydrophobicContact CG1-CE1 4.47Å; I439-F447 HydrophobicContact CG1-CE2 3.87Å; I439-F447 HydrophobicContact CG1-CZ 4Å; I439-F447 HydrophobicContact CG2-CD2 3.92Å; I439-F447 HydrophobicContact CG2-CE2 3.62Å; I439-F447 HydrophobicContact CG2-CZ 4.48Å; I439-F475 HydrophobicContact CG2-CB 4.49Å; I439-T483 HydrophobicContact CG1-CG2 3.64Å
440	M	83.1	Confident	87.7	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.02	13%	0.131	C	C	.	.			trans	-55.8	140.2	174.3	-66.6	157.2	30.5	0	0	111.7	I281 P290 A442 A443 V444 F475 V477	I281-M440 HydrophobicContact CB-CE 4.05Å; I281-M440 HydrophobicContact CB-SD 4.14Å; I281-M440 HydrophobicContact CD1-CE 3.81Å; I281-M440 HydrophobicContact CD1-CG 4.39Å; I281-M440 HydrophobicContact CD1-SD 4.45Å; I281-M440 HydrophobicContact CG1-CE 3.8Å; I281-M440 HydrophobicContact CG1-CG 3.96Å; I281-M440 HydrophobicContact CG1-SD 3.84Å; I281-M440 HydrophobicContact CG2-CE 3.12Å; I281-M440 HydrophobicContact CG2-SD 3.41Å; I281-M440 WeakPolarHBondContact CG2-SD 3.33Å; P290-M440 HydrophobicContact CB-CE 3.9Å; P290-M440 HydrophobicContact CG-CE 3.97Å; M440-A442 PolarHBondContact O-N 3.03Å; M440-A442 VanDerWaalsContact O-N 3.15Å; M440-A443 HydrophobicContact CB-CB 4.41Å; M440-A443 HydrophobicContact CE-CB 4.43Å; M440-A443 PolarHBondContact O-N 3.24Å; M440-V444 PolarHBondContact O-N 2.98Å; M440-V444 VanDerWaalsContact O-N 3.09Å; M440-F475 HydrophobicContact CE-CD1 4.35Å; M440-F475 VanDerWaalsContact CG-O 3.32Å; M440-F475 WeakPolarHBondContact CG-O 2.95Å; M440-F475 PolarHBondContact N-O 3.28Å; M440-F475 HydrophobicContact SD-CB 4.05Å; M440-V477 HydrophobicContact CB-CG2 4.44Å; M440-V477 HydrophobicContact CG-CG2 3.96Å
441	S	80	Confident	86.4	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.028	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-51.1	-42.3	-179.6	57.5	0	0	0	0	113.1	R260 A443 V444	R260-S441 WeakPolarHBondContact CD-O 3.32Å; S441-A443 VanDerWaalsContact C-N 3.29Å; S441-A443 PolarHBondContact O-N 3.35Å; S441-V444 WeakPolarHBondContact O-CG1 3.06Å
442	A	80.2	Confident	84.8	Confident	10 Å²	10	19.6 Å²	19.6	8%	0.083	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.4	178.8	0	0	0	0	0	113.5	V225 P290 M440	V225-A442 HydrophobicContact CG1-CB 4.02Å; V225-A442 HydrophobicContact CG2-CB 3.93Å; P290-A442 HydrophobicContact CB-CB 4.12Å; M440-A442 PolarHBondContact O-N 3.03Å; M440-A442 VanDerWaalsContact O-N 3.15Å
443	A	85.2	Confident	82.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-102.1	-3	-174.7	0	0	0	0	0	113.6	P290 I439 M440 S441 G445 N446 F447 F475	P290-A443 HydrophobicContact CB-CB 4.13Å; I439-A443 HydrophobicContact CG2-CB 4.18Å; M440-A443 HydrophobicContact CB-CB 4.41Å; M440-A443 HydrophobicContact CE-CB 4.43Å; M440-A443 PolarHBondContact O-N 3.24Å; S441-A443 VanDerWaalsContact C-N 3.29Å; S441-A443 PolarHBondContact O-N 3.35Å; A443-G445 PolarHBondContact O-N 3.47Å; A443-G445 VanDerWaalsContact O-N 3.11Å; A443-N446 VanDerWaalsContact O-CB 3.23Å; A443-N446 WeakPolarHBondContact O-CB 3.36Å; A443-N446 PolarHBondContact O-N 3.37Å; A443-F447 WeakPolarHBondContact O-CD2 3.47Å; A443-F475 HydrophobicContact CB-CB 3.57Å; A443-F475 HydrophobicContact CB-CD1 3.86Å; A443-F475 HydrophobicContact CB-CD2 4.03Å; A443-F475 HydrophobicContact CB-CG 3.53Å
444	V	83.4	Confident	80.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-57	-34.4	-174.2	78.6	0	0	0	0	112.5	R260 R263 I275 Y436 I439 M440 S441 N446 F447	R260-V444 HydrophobicContact CG-CG1 4Å; R263-V444 HydrophobicContact CB-CG1 4.18Å; R263-V444 HydrophobicContact CG-CB 4.27Å; R263-V444 HydrophobicContact CG-CG1 4.01Å; R263-V444 HydrophobicContact CG-CG2 3.6Å; I275-V444 HydrophobicContact CD1-CG2 4.43Å; Y436-V444 HydrophobicContact CD1-CG2 3.76Å; I439-V444 HydrophobicContact CG2-CB 4.36Å; M440-V444 PolarHBondContact O-N 2.98Å; M440-V444 VanDerWaalsContact O-N 3.09Å; S441-V444 WeakPolarHBondContact O-CG1 3.06Å; V444-N446 VanDerWaalsContact C-N 3.31Å; V444-N446 PolarHBondContact O-N 3.44Å; V444-F447 PolarHBondContact O-N 3.09Å
445	G	85	Confident	78.7	Confident	4 Å²	4	24.1 Å²	24.1	4%	0.041	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69.9	-21.1	175.8	0	0	0	0	0	114.8	V259 A443 F447 E448	V259-G445 WeakPolarHBondContact CG1-O 3.25Å; A443-G445 PolarHBondContact O-N 3.47Å; A443-G445 VanDerWaalsContact O-N 3.11Å; G445-F447 PolarHBondContact O-N 3.31Å; G445-E448 WeakPolarHBondContact O-CB 3.35Å; G445-E448 WeakPolarHBondContact O-CG 3.26Å; G445-E448 PolarHBondContact O-N 2.75Å
446	N	88	Confident	77.2	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.011	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-72.7	-7.5	179	-69.8	-10.5	0	0	0	112.9	L292 E294 G295 A443 V444	L292-N446 PolarHBondContact O-ND2 2.87Å; E294-N446 PolarHBondContact N-OD1 3.11Å; G295-N446 PolarHBondContact N-ND2 2.83Å; A443-N446 VanDerWaalsContact O-CB 3.23Å; A443-N446 WeakPolarHBondContact O-CB 3.36Å; A443-N446 PolarHBondContact O-N 3.37Å; V444-N446 VanDerWaalsContact C-N 3.31Å; V444-N446 PolarHBondContact O-N 3.44Å
447	F	90.1	Very high	75.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-105.6	23.7	174.5	-63.6	-103.9	0	0	0	111	R428 V434 Y436 I439 A443 V444 G445 Y470 A474 F475 I484	R428-F447 VanDerWaalsContact CZ-O 3.32Å; R428-F447 PolarHBondContact NH1-O 3.34Å; R428-F447 PolarHBondContact NH2-O 3.08Å; V434-F447 HydrophobicContact CG1-CB 3.98Å; V434-F447 HydrophobicContact CG1-CD1 3.74Å; V434-F447 HydrophobicContact CG1-CG 4.06Å; V434-F447 HydrophobicContact CG2-CD1 4.39Å; Y436-F447 HydrophobicContact CE1-CB 3.88Å; Y436-F447 PolarHBondContact OH-O 2.8Å; I439-F447 HydrophobicContact CB-CE2 4.42Å; I439-F447 HydrophobicContact CD1-CB 4.32Å; I439-F447 HydrophobicContact CD1-CD1 3.78Å; I439-F447 HydrophobicContact CD1-CD2 3.53Å; I439-F447 HydrophobicContact CD1-CE1 3.85Å; I439-F447 HydrophobicContact CD1-CE2 3.62Å; I439-F447 HydrophobicContact CD1-CG 3.62Å; I439-F447 HydrophobicContact CD1-CZ 3.78Å; I439-F447 HydrophobicContact CG1-CD2 4.24Å; I439-F447 HydrophobicContact CG1-CE1 4.47Å; I439-F447 HydrophobicContact CG1-CE2 3.87Å; I439-F447 HydrophobicContact CG1-CZ 4Å; I439-F447 HydrophobicContact CG2-CD2 3.92Å; I439-F447 HydrophobicContact CG2-CE2 3.62Å; I439-F447 HydrophobicContact CG2-CZ 4.48Å; A443-F447 WeakPolarHBondContact O-CD2 3.47Å; V444-F447 PolarHBondContact O-N 3.09Å; G445-F447 PolarHBondContact O-N 3.31Å; F447-Y470 HydrophobicContact CD1-CD2 4.44Å; F447-Y470 AromaticContact CE1-CD2 3.85Å; F447-Y470 HydrophobicContact CE1-CD2 3.85Å; F447-Y470 HydrophobicContact CE1-CE2 4.16Å; F447-Y470 HydrophobicContact CE2-CE2 4.35Å; F447-Y470 HydrophobicContact CZ-CD2 4.02Å; F447-Y470 HydrophobicContact CZ-CE2 4.04Å; F447-A474 HydrophobicContact CZ-CB 4.05Å; F447-A474 WeakPolarHBondContact CZ-O 3.47Å; F447-F475 HydrophobicContact CE2-CB 4.34Å; F447-F475 AromaticContact CE2-CD2 3.79Å; F447-F475 HydrophobicContact CE2-CD2 3.79Å; F447-F475 AromaticContact CZ-CD2 3.98Å; F447-F475 HydrophobicContact CZ-CD2 3.98Å; F447-I484 HydrophobicContact CD1-CD1 4.36Å; F447-I484 HydrophobicContact CD1-CG1 4.28Å; F447-I484 HydrophobicContact CE1-CD1 3.85Å; F447-I484 HydrophobicContact CE1-CG1 3.76Å
448	E	87.2	Confident	75.2	Confident	14 Å²	14	29.5 Å²	29.5	7%	0.065	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-69.9	154.7	167.9	-76.1	-60.8	158.2	0	0	111.6	V259 Y262 R263 R428 G445	V259-E448 HydrophobicContact CG1-CG 3.93Å; Y262-E448 HydrophobicContact CD1-CG 4.3Å; Y262-E448 WeakPolarHBondContact CD1-OE1 3.29Å; Y262-E448 VanDerWaalsContact CE1-CD 3.45Å; Y262-E448 HydrophobicContact CE1-CG 4.27Å; Y262-E448 WeakPolarHBondContact CE1-OE1 3.19Å; R263-E448 VanDerWaalsContact CB-OE1 3.25Å; R263-E448 WeakPolarHBondContact CB-OE1 3.41Å; R263-E448 IonicContact CZ-OE1 2.92Å; R263-E448 IonicContact CZ-OE2 3.65Å; R263-E448 IonicContact NE-OE1 2.8Å; R263-E448 PolarHBondContact NE-OE1 3.01Å; R263-E448 IonicContact NE-OE2 3.35Å; R263-E448 IonicContact NH2-OE1 3.82Å; R263-E448 PolarHBondContact NH2-OE1 3.18Å; R263-E448 IonicContact NH2-OE2 3.84Å; R263-E448 PolarHBondContact NH2-OE2 2.82Å; R428-E448 PolarHBondContact NH1-O 3.15Å; G445-E448 WeakPolarHBondContact O-CB 3.35Å; G445-E448 WeakPolarHBondContact O-CG 3.26Å; G445-E448 PolarHBondContact O-N 2.75Å
449	R	84.4	Confident	74.9	Confident	107 Å²	107	34 Å²	34	40%	0.404	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-89.8	145.4	168.7	-68.6	-177.6	-64	-169.1	-13.8	108.9	S424 T426 R428 D429	S424-R449 CarbonylContact O-C 3.46Å; S424-R449 WeakPolarHBondContact O-CA 3.44Å; T426-R449 PolarHBondContact O-NH1 3.14Å; R428-R449 HydrophobicContact CG-CG 4.15Å; R428-R449 VanDerWaalsContact NE-CG 3.25Å; D429-R449 IonicContact OD2-CZ 3.85Å; D429-R449 IonicContact OD2-NE 3.91Å; D429-R449 IonicContact OD2-NH1 2.94Å; D429-R449 PolarHBondContact OD2-NH1 2.98Å; D429-R449 IonicContact OD2-NH2 3.26Å; D429-R449 PolarHBondContact OD2-NH2 3.44Å
450	L	77.6	Confident	75.1	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-59.8	145.6	157.3	-55.4	-176.2	0	0	0	108.9	L323 A325 W420 S424 T426	L323-L450 HydrophobicContact CD2-CD2 3.83Å; A325-L450 HydrophobicContact CB-CD1 4.26Å; W420-L450 HydrophobicContact CB-CD1 3.93Å; W420-L450 HydrophobicContact CD2-CD1 4.32Å; W420-L450 HydrophobicContact CG-CD1 3.9Å; S424-L450 PolarHBondContact O-N 2.53Å; T426-L450 WeakPolarHBondContact CG2-O 3.43Å
451	T	67.8	Low	75.4	Confident	46 Å²	46	36.8 Å²	36.8	28%	0.282	19%	0.191	S	C	.	.	S	Bend	trans	-87.5	-13.8	-173	52.1	0	0	0	0	114.5	V310	V310-T451 HydrophobicContact CG1-CG2 3.2Å; V310-T451 WeakPolarHBondContact CG1-OG1 3.36Å
452	S	63.6	Low	76	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.063	19%	0.192	C	C	.	.			trans	-141.2	169.7	172.6	88.9	0	0	0	0	112.4	D322 L323	D322-S452 WeakPolarHBondContact CA-OG 3.32Å; D322-S452 WeakPolarHBondContact CB-OG 3.14Å; D322-S452 VanDerWaalsContact OD1-CB 3.3Å; D322-S452 WeakPolarHBondContact OD1-CB 3.29Å; L323-S452 PolarHBondContact N-OG 3.44Å; L323-S452 CarbonylContact O-C 3.57Å; L323-S452 WeakPolarHBondContact O-CA 3.44Å; L323-S452 WeakPolarHBondContact O-CB 3.38Å; L323-S452 PolarHBondContact O-N 3.43Å; L323-S452 PolarHBondContact O-OG 3.01Å
453	N	58.3	Low	76.7	Confident	26 Å²	26	38 Å²	38	14%	0.139	20%	0.195	C	C	.	.			trans	-147.1	94.5	174.3	-167.5	-24.3	0	0	0	108.4	T426 M455 Y456 L457	T426-N453 HydrophobicContact CG2-CB 4.31Å; T426-N453 WeakPolarHBondContact OG1-CB 3.27Å; N453-M455 PolarHBondContact OD1-N 3.38Å; N453-Y456 PolarHBondContact OD1-N 2.9Å; N453-L457 HydrophobicContact CB-CD1 3.96Å; N453-L457 HydrophobicContact CB-CD2 4.29Å; N453-L457 HydrophobicContact CB-CG 3.78Å; N453-L457 WeakPolarHBondContact ND2-CD2 3.4Å; N453-L457 VanDerWaalsContact ND2-CG 3.35Å; N453-L457 WeakPolarHBondContact ND2-CG 3.44Å
454	I	51.1	Low	77.3	Confident	99 Å²	99	39 Å²	39	51%	0.508	20%	0.199	S	C	.	.	S	Bend	trans	-88.3	-0.9	-174.8	34.6	169.5	0	0	0	114.3	A324	A324-I454 HydrophobicContact CB-CD1 3.69Å; A324-I454 HydrophobicContact CB-CG1 3.29Å
455	M	50.5	Low	77.9	Confident	55 Å²	55	39.7 Å²	39.7	27%	0.271	21%	0.206	S	C	.	.	S	Bend	trans	-134.2	-29.6	-177.1	-68.3	-164.4	70.3	0	0	117	R333 N453 Q459	R333-M455 PolarHBondContact NH2-SD 3.39Å; N453-M455 PolarHBondContact OD1-N 3.38Å; M455-Q459 PolarHBondContact O-NE2 2.91Å
456	Y	61.1	Low	78.4	Confident	5 Å²	5	39.5 Å²	39.5	2%	0.02	20%	0.204	C	C	.	.	S	Bend	trans	-103.9	-33.6	-162.8	-60.7	-64.2	0	0	0	116	A325 I326 N453 D458 Q459 V460 V508	A325-Y456 HydrophobicContact CB-CD2 3.9Å; A325-Y456 HydrophobicContact CB-CE2 4.34Å; I326-Y456 HydrophobicContact CB-CE2 3.78Å; I326-Y456 VanDerWaalsContact CB-OH 3.26Å; I326-Y456 WeakPolarHBondContact CB-OH 3.14Å; I326-Y456 HydrophobicContact CD1-CE2 4.3Å; I326-Y456 WeakPolarHBondContact CD1-OH 3.2Å; I326-Y456 HydrophobicContact CG1-CE2 3.56Å; I326-Y456 WeakPolarHBondContact CG1-OH 3.24Å; N453-Y456 PolarHBondContact OD1-N 2.9Å; Y456-D458 VanDerWaalsContact C-N 3.27Å; Y456-D458 PolarHBondContact O-N 3.24Å; Y456-D458 VanDerWaalsContact O-N 3.1Å; Y456-Q459 PolarHBondContact O-N 2.8Å; Y456-V460 HydrophobicContact CD1-CG2 4.04Å; Y456-V460 PolarHBondContact O-N 3.36Å; Y456-V460 VanDerWaalsContact O-O 3.07Å; Y456-V508 HydrophobicContact CD1-CB 4.27Å; Y456-V508 HydrophobicContact CD1-CG1 4.19Å; Y456-V508 HydrophobicContact CD1-CG2 3.71Å; Y456-V508 HydrophobicContact CE1-CB 3.97Å; Y456-V508 HydrophobicContact CE1-CG1 3.61Å; Y456-V508 HydrophobicContact CE1-CG2 3.93Å; Y456-V508 HydrophobicContact CE2-CG1 4.42Å; Y456-V508 HydrophobicContact CG-CG2 4.37Å
457	L	59.6	Low	78.7	Confident	63 Å²	63	39.4 Å²	39.4	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.3	-167.5	-62.7	-173.4	0	0	0	113.8	D427 N453	D427-L457 HydrophobicContact CB-CD1 4.46Å; D427-L457 HydrophobicContact CB-CD2 3.89Å; D427-L457 VanDerWaalsContact OD1-CD2 3.3Å; D427-L457 WeakPolarHBondContact OD1-CD2 3.32Å; D427-L457 WeakPolarHBondContact OD2-CD2 3.26Å; N453-L457 HydrophobicContact CB-CD1 3.96Å; N453-L457 HydrophobicContact CB-CD2 4.29Å; N453-L457 HydrophobicContact CB-CG 3.78Å; N453-L457 WeakPolarHBondContact ND2-CD2 3.4Å; N453-L457 VanDerWaalsContact ND2-CG 3.35Å; N453-L457 WeakPolarHBondContact ND2-CG 3.44Å
458	D	70.4	Confident	78.9	Confident	162 Å²	162	39.5 Å²	39.5	87%	0.866	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-21.2	-175.7	-63.5	-25.1	0	0	0	113.2	Y456	Y456-D458 VanDerWaalsContact C-N 3.27Å; Y456-D458 PolarHBondContact O-N 3.24Å; Y456-D458 VanDerWaalsContact O-N 3.1Å
459	Q	80.2	Confident	79.3	Confident	96 Å²	96	38.9 Å²	38.9	45%	0.449	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-26.8	-171.4	-63	-174.4	89.9	0	0	113.5	M455 Y456 K507 L511	M455-Q459 PolarHBondContact O-NE2 2.91Å; Y456-Q459 PolarHBondContact O-N 2.8Å; Q459-K507 VanDerWaalsContact O-CE 3.31Å; Q459-K507 WeakPolarHBondContact O-CE 3.31Å; Q459-K507 PolarHBondContact O-NZ 3.47Å; Q459-L511 HydrophobicContact CB-CD1 3.78Å
460	V	89.3	Confident	79.8	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.184	C	C	.	.	S	Bend	trans	-133.4	112.3	-175.7	-169.6	0	0	0	0	109.3	R425 Y456 N504 K507 V508 L511	R425-V460 PolarHBondContact NH1-O 3.45Å; R425-V460 PolarHBondContact NH2-O 3.48Å; Y456-V460 HydrophobicContact CD1-CG2 4.04Å; Y456-V460 PolarHBondContact O-N 3.36Å; Y456-V460 VanDerWaalsContact O-O 3.07Å; V460-N504 HydrophobicContact CG1-CB 3.68Å; V460-K507 HydrophobicContact CG2-CD 4.1Å; V460-K507 HydrophobicContact CG2-CG 4.11Å; V460-V508 HydrophobicContact CB-CG2 4.32Å; V460-V508 HydrophobicContact CG1-CG2 3.96Å; V460-V508 HydrophobicContact CG2-CG2 4.02Å; V460-L511 HydrophobicContact CG2-CD1 3.66Å
461	P	90.8	Very high	80.5	Confident	60 Å²	60	36.8 Å²	36.8	39%	0.39	20%	0.2	S	C	.	.			trans	-64.9	163.4	177.3	31	-35.4	0	0	0	110.9	D463	P461-D463 PolarHBondContact O-N 3.22Å
462	Y	93	Very high	81.7	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.051	19%	0.193	C	C	.	.			trans	-60	129.6	169.7	-168.4	-92.2	0	0	0	110	E422 R425 R428 Y431 I432 F464 H469	E422-Y462 HydrophobicContact CG-CD2 4.36Å; E422-Y462 HydrophobicContact CG-CE2 4.02Å; E422-Y462 WeakPolarHBondContact O-CE2 3.46Å; E422-Y462 VanDerWaalsContact OE1-CA 3.28Å; E422-Y462 WeakPolarHBondContact OE1-CA 3.22Å; E422-Y462 WeakPolarHBondContact OE1-CD2 3.45Å; R425-Y462 HydrophobicContact CB-CE2 4.5Å; R428-Y462 HydrophobicContact CB-CE2 3.71Å; Y431-Y462 HydrophobicContact CD1-CD1 4.03Å; Y431-Y462 HydrophobicContact CD1-CG 4.14Å; Y431-Y462 VanDerWaalsContact CD2-CB 3.48Å; Y431-Y462 AromaticContact CD2-CD1 3.98Å; Y431-Y462 HydrophobicContact CD2-CD1 3.98Å; Y431-Y462 AromaticContact CD2-CD2 3.85Å; Y431-Y462 HydrophobicContact CD2-CD2 3.85Å; Y431-Y462 AromaticContact CD2-CG 3.5Å; Y431-Y462 HydrophobicContact CD2-CG 3.5Å; Y431-Y462 VanDerWaalsContact CD2-CG 3.5Å; Y431-Y462 VanDerWaalsContact CE2-CB 3.4Å; Y431-Y462 HydrophobicContact CE2-CD2 4.36Å; Y431-Y462 AromaticContact CE2-CG 3.96Å; Y431-Y462 HydrophobicContact CE2-CG 3.96Å; Y431-Y462 AromaticContact CG-CD1 3.57Å; Y431-Y462 HydrophobicContact CG-CD1 3.57Å; Y431-Y462 HydrophobicContact CG-CD2 4.29Å; Y431-Y462 HydrophobicContact CG-CE1 4.24Å; Y431-Y462 AromaticContact CG-CG 3.59Å; Y431-Y462 HydrophobicContact CG-CG 3.59Å; I432-Y462 HydrophobicContact CG2-CE1 4.22Å; Y462-F464 HydrophobicContact CD1-CD1 4.27Å; Y462-F464 HydrophobicContact CD1-CE1 4.19Å; Y462-F464 HydrophobicContact CD1-CZ 4.38Å; Y462-F464 AromaticContact CE1-CD1 3.92Å; Y462-F464 HydrophobicContact CE1-CD1 3.92Å; Y462-F464 AromaticContact CE1-CE1 3.92Å; Y462-F464 HydrophobicContact CE1-CE1 3.92Å; Y462-H469 AromaticContact CE1-CD2 3.93Å; Y462-H469 AromaticContact CE1-NE2 3.83Å; Y462-H469 AromaticContact CZ-CD2 3.79Å; Y462-H469 AromaticContact CZ-NE2 3.66Å; Y462-H469 PolarHBondContact OH-CD2 2.88Å; Y462-H469 VanDerWaalsContact OH-CD2 3.3Å; Y462-H469 PolarHBondContact OH-NE2 3.48Å
463	D	94.6	Very high	83.1	Confident	27 Å²	27	38.1 Å²	38.1	14%	0.144	20%	0.203	C	C	.	.			trans	-116.9	101.6	-174.3	-169.7	-4.1	0	0	0	111.9	E422 P461 G465 S466 S502 N504	E422-D463 PolarHBondContact OE1-N 3.19Å; P461-D463 PolarHBondContact O-N 3.22Å; D463-G465 PolarHBondContact O-N 3.41Å; D463-G465 VanDerWaalsContact O-N 3.15Å; D463-G465 WeakPolarHBondContact OD1-CA 3.45Å; D463-G465 PolarHBondContact OD1-N 3.26Å; D463-S466 VanDerWaalsContact O-CB 3.25Å; D463-S466 WeakPolarHBondContact O-CB 3.11Å; D463-S466 PolarHBondContact O-N 3.44Å; D463-S466 PolarHBondContact OD1-N 3.29Å; D463-S502 VanDerWaalsContact OD2-CB 3.31Å; D463-S502 WeakPolarHBondContact OD2-CB 3.42Å; D463-S502 PolarHBondContact OD2-OG 2.78Å; D463-N504 HydrophobicContact CB-CB 4.17Å; D463-N504 WeakPolarHBondContact OD2-CB 3.12Å; D463-N504 PolarHBondContact OD2-ND2 3.22Å
464	F	96.8	Very high	84.6	Confident	22 Å²	22	37.2 Å²	37.2	10%	0.096	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.3	173.9	-63	-73.7	0	0	0	113	Y431 I432 Y462 T486 Y491 T494 I495	Y431-F464 HydrophobicContact CD1-CE2 4.34Å; Y431-F464 HydrophobicContact CD1-CZ 4.08Å; Y431-F464 HydrophobicContact CG-CZ 4.4Å; I432-F464 HydrophobicContact CG2-CE1 4.03Å; Y462-F464 HydrophobicContact CD1-CD1 4.27Å; Y462-F464 HydrophobicContact CD1-CE1 4.19Å; Y462-F464 HydrophobicContact CD1-CZ 4.38Å; Y462-F464 AromaticContact CE1-CD1 3.92Å; Y462-F464 HydrophobicContact CE1-CD1 3.92Å; Y462-F464 AromaticContact CE1-CE1 3.92Å; Y462-F464 HydrophobicContact CE1-CE1 3.92Å; F464-T486 HydrophobicContact CD1-CG2 3.76Å; F464-T486 HydrophobicContact CE1-CG2 3.76Å; F464-Y491 HydrophobicContact CB-CD1 4.21Å; F464-Y491 HydrophobicContact CB-CG 4.29Å; F464-Y491 AromaticContact CD2-CD1 3.81Å; F464-Y491 HydrophobicContact CD2-CD1 3.81Å; F464-Y491 AromaticContact CD2-CD2 3.83Å; F464-Y491 HydrophobicContact CD2-CD2 3.83Å; F464-Y491 HydrophobicContact CD2-CE1 4.35Å; F464-Y491 HydrophobicContact CD2-CE2 4.37Å; F464-Y491 AromaticContact CD2-CG 3.51Å; F464-Y491 HydrophobicContact CD2-CG 3.51Å; F464-Y491 AromaticContact CE2-CD2 3.74Å; F464-Y491 HydrophobicContact CE2-CD2 3.74Å; F464-Y491 HydrophobicContact CE2-CE2 4.23Å; F464-Y491 AromaticContact CE2-CG 3.92Å; F464-Y491 HydrophobicContact CE2-CG 3.92Å; F464-Y491 HydrophobicContact CG-CD1 4.25Å; F464-Y491 AromaticContact CG-CG 3.93Å; F464-Y491 HydrophobicContact CG-CG 3.93Å; F464-Y491 HydrophobicContact CZ-CD2 4.43Å; F464-T494 HydrophobicContact CB-CG2 4.2Å; F464-T494 CarbonylContact O-C 3.52Å; F464-I495 HydrophobicContact CB-CG2 3.91Å; F464-I495 HydrophobicContact CD1-CG2 3.8Å; F464-I495 HydrophobicContact CG-CG2 4.36Å; F464-I495 WeakPolarHBondContact O-CA 3.32Å; F464-I495 WeakPolarHBondContact O-CG2 3.47Å; F464-I495 PolarHBondContact O-N 3Å
465	G	95.9	Very high	86.3	Confident	14 Å²	14	32.8 Å²	32.8	14%	0.144	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.2	177.8	0	0	0	0	0	113.8	D463 E467 Q497	D463-G465 PolarHBondContact O-N 3.41Å; D463-G465 VanDerWaalsContact O-N 3.15Å; D463-G465 WeakPolarHBondContact OD1-CA 3.45Å; D463-G465 PolarHBondContact OD1-N 3.26Å; G465-E467 PolarHBondContact O-N 2.9Å; G465-Q497 PolarHBondContact O-NE2 2.91Å
466	S	95.8	Very high	88.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.			trans	-58.5	135	173.3	173.7	0	0	0	0	110.1	D463 M468 H469 D505	D463-S466 VanDerWaalsContact O-CB 3.25Å; D463-S466 WeakPolarHBondContact O-CB 3.11Å; D463-S466 PolarHBondContact O-N 3.44Å; D463-S466 PolarHBondContact OD1-N 3.29Å; S466-M468 PolarHBondContact O-N 3.41Å; S466-M468 WeakPolarHBondContact OG-CB 3.37Å; S466-M468 PolarHBondContact OG-N 2.75Å; S466-H469 WeakPolarHBondContact O-CB 3.25Å; S466-H469 PolarHBondContact O-N 3.37Å; S466-H469 VanDerWaalsContact O-N 3.13Å; S466-D505 WeakPolarHBondContact CA-OD2 3.49Å; S466-D505 WeakPolarHBondContact CB-OD1 3.42Å; S466-D505 PolarHBondContact OG-OD1 3Å
467	E	95	Very high	89	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.4	170.7	78.4	-174.1	160.4	0	0	111.6	W357 C410 H411 S414 G465 H469 R498 P501 D505	W357-E467 WeakPolarHBondContact CH2-OE1 3.35Å; W357-E467 WeakPolarHBondContact CZ2-OE1 3.49Å; C410-E467 WeakPolarHBondContact CB-OE2 3.42Å; H411-E467 PolarHBondContact ND1-O 2.9Å; S414-E467 PolarHBondContact OG-OE1 3.01Å; G465-E467 PolarHBondContact O-N 2.9Å; E467-H469 VanDerWaalsContact C-N 3.28Å; E467-R498 PolarHBondContact O-NH1 3.3Å; E467-P501 WeakPolarHBondContact OE2-CA 3.27Å; E467-P501 WeakPolarHBondContact OE2-CD 3.43Å; E467-P501 WeakPolarHBondContact OE2-CG 2.98Å; E467-D505 PolarHBondContact N-OD2 3.06Å
468	M	94.2	Very high	90.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.2	177	-52.1	-58.5	-57.7	0	0	112.6	H411 S414 H415 V419 H421 E422 Q423 S466	H411-M468 WeakPolarHBondContact CE1-CE 3.32Å; H411-M468 WeakPolarHBondContact ND1-CE 3.27Å; H411-M468 PolarHBondContact ND1-SD 3.45Å; S414-M468 WeakPolarHBondContact CB-SD 3.49Å; H415-M468 WeakPolarHBondContact CE1-CE 3.32Å; H415-M468 WeakPolarHBondContact ND1-CE 3.49Å; V419-M468 HydrophobicContact CB-CE 4.25Å; V419-M468 HydrophobicContact CG1-CE 4.08Å; V419-M468 HydrophobicContact CG1-CG 3.83Å; V419-M468 HydrophobicContact CG1-SD 4.3Å; H421-M468 CarbonylContact C-O 3.55Å; H421-M468 VanDerWaalsContact CA-O 3.29Å; H421-M468 WeakPolarHBondContact CA-O 3.46Å; H421-M468 WeakPolarHBondContact CB-O 3.29Å; H421-M468 PolarHBondContact CD2-O 2.69Å; H421-M468 VanDerWaalsContact CD2-O 3.31Å; E422-M468 HydrophobicContact CB-CB 4.4Å; E422-M468 PolarHBondContact N-O 2.93Å; Q423-M468 PolarHBondContact OE1-O 3.02Å; S466-M468 PolarHBondContact O-N 3.41Å; S466-M468 WeakPolarHBondContact OG-CB 3.37Å; S466-M468 PolarHBondContact OG-N 2.75Å
469	H	95.5	Very high	90.9	Very high	2 Å²	2	28 Å²	28	1%	0.009	15%	0.149	C	C	.	.	S	Bend	trans	-93.1	132	178.8	-164.4	-58.2	0	0	0	111.2	E422 Y462 S466 E467 I495 G496	E422-H469 HydrophobicContact CB-CB 3.9Å; E422-H469 HydrophobicContact CG-CB 4.37Å; Y462-H469 AromaticContact CE1-CD2 3.93Å; Y462-H469 AromaticContact CE1-NE2 3.83Å; Y462-H469 AromaticContact CZ-CD2 3.79Å; Y462-H469 AromaticContact CZ-NE2 3.66Å; Y462-H469 PolarHBondContact OH-CD2 2.88Å; Y462-H469 VanDerWaalsContact OH-CD2 3.3Å; Y462-H469 PolarHBondContact OH-NE2 3.48Å; S466-H469 WeakPolarHBondContact O-CB 3.25Å; S466-H469 PolarHBondContact O-N 3.37Å; S466-H469 VanDerWaalsContact O-N 3.13Å; E467-H469 VanDerWaalsContact C-N 3.28Å; H469-I495 VanDerWaalsContact CE1-CG2 3.49Å; H469-I495 WeakPolarHBondContact CE1-CG2 3.27Å; H469-G496 WeakPolarHBondContact O-CA 3.1Å
470	Y	94.1	Very high	91.3	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.035	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-55.1	149.1	171.7	-87	7.5	0	0	0	114.4	E294 H421 Q423 F447 A474 F475 I484 G496	E294-Y470 WeakPolarHBondContact CA-OH 3.23Å; E294-Y470 WeakPolarHBondContact CB-OH 3.48Å; E294-Y470 PolarHBondContact O-OH 3.1Å; H421-Y470 AromaticContact CD2-CD1 3.96Å; H421-Y470 AromaticContact CD2-CE1 3.78Å; H421-Y470 AromaticContact CE1-CE1 3.71Å; H421-Y470 AromaticContact NE2-CE1 3.52Å; Q423-Y470 VanDerWaalsContact CD-CD1 3.48Å; Q423-Y470 HydrophobicContact CG-CD2 3.81Å; Q423-Y470 HydrophobicContact CG-CE2 4.37Å; Q423-Y470 HydrophobicContact CG-CG 3.9Å; Q423-Y470 VanDerWaalsContact NE2-CE2 3.35Å; F447-Y470 HydrophobicContact CD1-CD2 4.44Å; F447-Y470 AromaticContact CE1-CD2 3.85Å; F447-Y470 HydrophobicContact CE1-CD2 3.85Å; F447-Y470 HydrophobicContact CE1-CE2 4.16Å; F447-Y470 HydrophobicContact CE2-CE2 4.35Å; F447-Y470 HydrophobicContact CZ-CD2 4.02Å; F447-Y470 HydrophobicContact CZ-CE2 4.04Å; Y470-A474 HydrophobicContact CD2-CB 3.71Å; Y470-A474 HydrophobicContact CE2-CB 4.36Å; Y470-A474 HydrophobicContact CG-CB 4.03Å; Y470-F475 HydrophobicContact CE2-CD2 4.28Å; Y470-F475 AromaticContact CE2-CE2 3.89Å; Y470-F475 HydrophobicContact CE2-CE2 3.89Å; Y470-F475 AromaticContact CZ-CE2 3.88Å; Y470-I484 HydrophobicContact CD2-CD1 4.13Å; Y470-I484 HydrophobicContact CG-CD1 4.39Å; Y470-G496 PolarHBondContact O-N 2.89Å
471	P	92.7	Very high	91.2	Very high	60 Å²	60	34.9 Å²	34.9	39%	0.39	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-66.8	154.3	167.6	29.1	-33.9	0	0	0	112.2	K473 A474	P471-K473 PolarHBondContact O-N 3.35Å; P471-A474 HydrophobicContact CG-CB 4.03Å; P471-A474 WeakPolarHBondContact O-CB 3.32Å; P471-A474 PolarHBondContact O-N 3.17Å
472	S	93.7	Very high	91.3	Very high	17 Å²	17	34.9 Å²	34.9	12%	0.119	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.3	-176.4	63	0	0	0	0	115.4	Y482 T483 I484	S472-Y482 CarbonylContact O-C 3.54Å; S472-Y482 WeakPolarHBondContact O-CA 3.43Å; S472-Y482 WeakPolarHBondContact O-CB 3.32Å; S472-Y482 WeakPolarHBondContact OG-CD1 3.38Å; S472-T483 PolarHBondContact O-N 2.99Å; S472-T483 PolarHBondContact O-OG1 3.4Å; S472-I484 PolarHBondContact O-N 3.06Å
473	K	91.6	Very high	91.3	Very high	66 Å²	66	34.2 Å²	34.2	29%	0.287	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	23.1	-177.7	-60	179.6	177.9	-178.9	0	112.1	P471 F475 A476 Y479 Y482 T483	P471-K473 PolarHBondContact O-N 3.35Å; K473-F475 PolarHBondContact O-N 3.47Å; K473-A476 HydrophobicContact CB-CB 4.16Å; K473-A476 VanDerWaalsContact O-CB 3.29Å; K473-A476 WeakPolarHBondContact O-CB 3.46Å; K473-A476 PolarHBondContact O-N 3.39Å; K473-Y479 HydrophobicContact CB-CD1 4.28Å; K473-Y479 HydrophobicContact CD-CD1 4.47Å; K473-Y479 VanDerWaalsContact CD-O 3.24Å; K473-Y479 WeakPolarHBondContact CD-O 3.18Å; K473-Y479 WeakPolarHBondContact CE-O 3.37Å; K473-Y479 PolarHBondContact NZ-O 3.13Å; K473-Y482 HydrophobicContact CG-CD1 3.84Å; K473-Y482 HydrophobicContact CG-CE1 4.37Å; K473-T483 WeakPolarHBondContact CA-OG1 3.4Å
474	A	90	Very high	91.3	Very high	7 Å²	7	33 Å²	33	6%	0.058	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	126.9	175.5	0	0	0	0	0	110.1	F447 Y470 P471 A476 T483	F447-A474 HydrophobicContact CZ-CB 4.05Å; F447-A474 WeakPolarHBondContact CZ-O 3.47Å; Y470-A474 HydrophobicContact CD2-CB 3.71Å; Y470-A474 HydrophobicContact CE2-CB 4.36Å; Y470-A474 HydrophobicContact CG-CB 4.03Å; P471-A474 HydrophobicContact CG-CB 4.03Å; P471-A474 WeakPolarHBondContact O-CB 3.32Å; P471-A474 PolarHBondContact O-N 3.17Å; A474-A476 PolarHBondContact O-N 3.34Å; A474-A476 VanDerWaalsContact O-N 3.14Å; A474-T483 PolarHBondContact N-OG1 2.99Å; A474-T483 VanDerWaalsContact N-OG1 3.14Å; A474-T483 WeakPolarHBondContact O-CB 3.39Å; A474-T483 VanDerWaalsContact O-CG2 3.25Å; A474-T483 WeakPolarHBondContact O-CG2 3.44Å; A474-T483 PolarHBondContact O-OG1 2.92Å
475	F	87.9	Confident	91.4	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.026	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	31.8	179.1	-48.9	-71.6	0	0	0	114.9	M283 P290 I439 M440 A443 F447 Y470 K473	M283-F475 WeakPolarHBondContact O-CE1 3.36Å; P290-F475 HydrophobicContact CB-CD1 4.39Å; P290-F475 HydrophobicContact CB-CE1 4.41Å; I439-F475 HydrophobicContact CG2-CB 4.49Å; M440-F475 HydrophobicContact CE-CD1 4.35Å; M440-F475 VanDerWaalsContact CG-O 3.32Å; M440-F475 WeakPolarHBondContact CG-O 2.95Å; M440-F475 PolarHBondContact N-O 3.28Å; M440-F475 HydrophobicContact SD-CB 4.05Å; A443-F475 HydrophobicContact CB-CB 3.57Å; A443-F475 HydrophobicContact CB-CD1 3.86Å; A443-F475 HydrophobicContact CB-CD2 4.03Å; A443-F475 HydrophobicContact CB-CG 3.53Å; F447-F475 HydrophobicContact CE2-CB 4.34Å; F447-F475 AromaticContact CE2-CD2 3.79Å; F447-F475 HydrophobicContact CE2-CD2 3.79Å; F447-F475 AromaticContact CZ-CD2 3.98Å; F447-F475 HydrophobicContact CZ-CD2 3.98Å; Y470-F475 HydrophobicContact CE2-CD2 4.28Å; Y470-F475 AromaticContact CE2-CE2 3.89Å; Y470-F475 HydrophobicContact CE2-CE2 3.89Å; Y470-F475 AromaticContact CZ-CE2 3.88Å; K473-F475 PolarHBondContact O-N 3.47Å
476	A	86.8	Confident	91.5	Very high	4 Å²	4	35 Å²	35	3%	0.033	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-66.8	133.9	179.9	0	0	0	0	0	111.9	N438 K473 A474 Y479 T483	N438-A476 CarbonylContact O-C 3.49Å; N438-A476 VanDerWaalsContact O-CA 3.3Å; N438-A476 WeakPolarHBondContact O-CA 3.1Å; K473-A476 HydrophobicContact CB-CB 4.16Å; K473-A476 VanDerWaalsContact O-CB 3.29Å; K473-A476 WeakPolarHBondContact O-CB 3.46Å; K473-A476 PolarHBondContact O-N 3.39Å; A474-A476 PolarHBondContact O-N 3.34Å; A474-A476 VanDerWaalsContact O-N 3.14Å; A476-Y479 HydrophobicContact CB-CD1 4.3Å; A476-Y479 HydrophobicContact CB-CD2 4.25Å; A476-Y479 HydrophobicContact CB-CE1 4.39Å; A476-Y479 HydrophobicContact CB-CE2 4.33Å; A476-Y479 HydrophobicContact CB-CG 4.24Å; A476-Y479 WeakPolarHBondContact O-CE2 3.28Å; A476-T483 HydrophobicContact CB-CG2 3.77Å
477	V	82	Confident	91.6	Very high	38 Å²	38	40.9 Å²	40.9	23%	0.23	20%	0.201	C	C	.	.	S	Bend	trans	-72.9	-52.2	166.2	168.2	0	0	0	0	109.8	Y278 N438 M440	Y278-V477 HydrophobicContact CD1-CG1 4.18Å; Y278-V477 HydrophobicContact CD2-CB 4.29Å; Y278-V477 HydrophobicContact CD2-CG1 3.18Å; Y278-V477 HydrophobicContact CD2-CG2 4.13Å; Y278-V477 HydrophobicContact CE1-CG1 4.14Å; Y278-V477 HydrophobicContact CE2-CB 4.49Å; Y278-V477 HydrophobicContact CE2-CG1 3.14Å; Y278-V477 HydrophobicContact CG-CG1 3.72Å; N438-V477 PolarHBondContact O-N 2.95Å; M440-V477 HydrophobicContact CB-CG2 4.44Å; M440-V477 HydrophobicContact CG-CG2 3.96Å
478	N	84.7	Confident	91.7	Very high	58 Å²	58	43.5 Å²	43.5	31%	0.31	22%	0.215	S	C	.	.	S	Bend	trans	-106.4	104.1	173.4	-177.8	-0.9	0	0	0	109.4	N438 N480 Q481	N438-N478 PolarHBondContact ND2-O 3.25Å; N438-N478 VanDerWaalsContact ND2-O 3.15Å; N438-N478 WeakPolarHBondContact OD1-CA 3.39Å; N438-N478 VanDerWaalsContact OD1-CB 3.32Å; N438-N478 WeakPolarHBondContact OD1-CB 3.4Å; N438-N478 PolarHBondContact OD1-N 3.05Å; N438-N478 PolarHBondContact OD1-O 2.84Å; N478-N480 PolarHBondContact O-N 3.21Å; N478-N480 VanDerWaalsContact O-N 3.08Å; N478-N480 VanDerWaalsContact OD1-CB 3.27Å; N478-N480 WeakPolarHBondContact OD1-CB 3.28Å; N478-N480 PolarHBondContact OD1-N 2.94Å; N478-Q481 PolarHBondContact O-N 3.03Å; N478-Q481 VanDerWaalsContact O-O 3.14Å
479	Y	85.1	Confident	91.8	Very high	86 Å²	86	47.5 Å²	47.5	34%	0.337	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-5	178	-81.3	-94.2	0	0	0	114	N282 K473 A476 Q481	N282-Y479 HydrophobicContact CB-CE2 4.17Å; N282-Y479 PolarHBondContact O-OH 3.09Å; K473-Y479 HydrophobicContact CB-CD1 4.28Å; K473-Y479 HydrophobicContact CD-CD1 4.47Å; K473-Y479 VanDerWaalsContact CD-O 3.24Å; K473-Y479 WeakPolarHBondContact CD-O 3.18Å; K473-Y479 WeakPolarHBondContact CE-O 3.37Å; K473-Y479 PolarHBondContact NZ-O 3.13Å; A476-Y479 HydrophobicContact CB-CD1 4.3Å; A476-Y479 HydrophobicContact CB-CD2 4.25Å; A476-Y479 HydrophobicContact CB-CE1 4.39Å; A476-Y479 HydrophobicContact CB-CE2 4.33Å; A476-Y479 HydrophobicContact CB-CG 4.24Å; A476-Y479 WeakPolarHBondContact O-CE2 3.28Å; Y479-Q481 VanDerWaalsContact C-N 3.27Å
480	N	87	Confident	91.8	Very high	147 Å²	147	55.4 Å²	55.4	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.2	168.1	-61.2	-42	0	0	0	112.8	N478	N478-N480 PolarHBondContact O-N 3.21Å; N478-N480 VanDerWaalsContact O-N 3.08Å; N478-N480 VanDerWaalsContact OD1-CB 3.27Å; N478-N480 WeakPolarHBondContact OD1-CB 3.28Å; N478-N480 PolarHBondContact OD1-N 2.94Å
481	Q	88.4	Confident	91.9	Very high	96 Å²	96	59.9 Å²	59.9	45%	0.449	30%	0.295	S	S	.	.	S	Bend	trans	-120.8	152.8	178	-65.5	-179.5	6.1	0	0	110.5	N438 N478 Y479	N438-Q481 WeakPolarHBondContact ND2-CB 3.29Å; N438-Q481 PolarHBondContact ND2-O 2.92Å; N478-Q481 PolarHBondContact O-N 3.03Å; N478-Q481 VanDerWaalsContact O-O 3.14Å; Y479-Q481 VanDerWaalsContact C-N 3.27Å
482	Y	92.5	Very high	92.2	Very high	59 Å²	59	57.4 Å²	57.4	23%	0.231	28%	0.278	C	S	.	.			trans	-80.7	144.1	174.6	-60	-57.8	0	0	0	110.9	N435 N438 S472 K473 Q492 W493	N435-Y482 PolarHBondContact ND2-O 2.89Å; N438-Y482 PolarHBondContact ND2-O 2.78Å; S472-Y482 CarbonylContact O-C 3.54Å; S472-Y482 WeakPolarHBondContact O-CA 3.43Å; S472-Y482 WeakPolarHBondContact O-CB 3.32Å; S472-Y482 WeakPolarHBondContact OG-CD1 3.38Å; K473-Y482 HydrophobicContact CG-CD1 3.84Å; K473-Y482 HydrophobicContact CG-CE1 4.37Å; Y482-Q492 HydrophobicContact CE1-CG 4.43Å; Y482-Q492 HydrophobicContact CE2-CG 4.05Å; Y482-W493 WeakPolarHBondContact OH-CH2 3.33Å; Y482-W493 WeakPolarHBondContact OH-CZ2 3.36Å
483	T	92.6	Very high	92.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-90.3	-30.8	163.6	51.9	0	0	0	0	110.7	V434 N435 N438 I439 S472 K473 A474 A476	V434-T483 WeakPolarHBondContact CA-O 3.27Å; N435-T483 PolarHBondContact N-O 3.11Å; N438-T483 HydrophobicContact CB-CG2 4.36Å; N438-T483 WeakPolarHBondContact O-CG2 3.05Å; I439-T483 HydrophobicContact CG1-CG2 3.64Å; S472-T483 PolarHBondContact O-N 2.99Å; S472-T483 PolarHBondContact O-OG1 3.4Å; K473-T483 WeakPolarHBondContact CA-OG1 3.4Å; A474-T483 PolarHBondContact N-OG1 2.99Å; A474-T483 VanDerWaalsContact N-OG1 3.14Å; A474-T483 WeakPolarHBondContact O-CB 3.39Å; A474-T483 VanDerWaalsContact O-CG2 3.25Å; A474-T483 WeakPolarHBondContact O-CG2 3.44Å; A474-T483 PolarHBondContact O-OG1 2.92Å; A476-T483 HydrophobicContact CB-CG2 3.77Å
484	I	95.3	Very high	92.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.3	172.8	-56.2	176.8	0	0	0	109.6	Q423 I432 F447 Y470 S472 Q492 I495	Q423-I484 HydrophobicContact CB-CD1 4.29Å; Q423-I484 HydrophobicContact CG-CD1 4.17Å; I432-I484 HydrophobicContact CB-CG2 3.83Å; I432-I484 HydrophobicContact CD1-CG2 3.66Å; I432-I484 HydrophobicContact CG1-CG2 4.34Å; I432-I484 HydrophobicContact CG2-CG2 3.91Å; F447-I484 HydrophobicContact CD1-CD1 4.36Å; F447-I484 HydrophobicContact CD1-CG1 4.28Å; F447-I484 HydrophobicContact CE1-CD1 3.85Å; F447-I484 HydrophobicContact CE1-CG1 3.76Å; Y470-I484 HydrophobicContact CD2-CD1 4.13Å; Y470-I484 HydrophobicContact CG-CD1 4.39Å; S472-I484 PolarHBondContact O-N 3.06Å; I484-Q492 PolarHBondContact O-NE2 3.23Å; I484-Q492 VanDerWaalsContact O-NE2 3.15Å; I484-I495 HydrophobicContact CB-CD1 4.17Å; I484-I495 HydrophobicContact CG2-CD1 3.88Å
485	Q	97.6	Very high	92.6	Very high	76 Å²	76	66 Å²	66	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.4	173.9	-178.9	64.7	52	0	0	109.3	I432 S433 Q492	I432-Q485 CarbonylContact C-O 3.6Å; I432-Q485 VanDerWaalsContact CA-O 3.28Å; I432-Q485 WeakPolarHBondContact CA-O 3.13Å; S433-Q485 PolarHBondContact N-O 2.9Å; S433-Q485 PolarHBondContact O-N 3.42Å; Q485-Q492 VanDerWaalsContact CD-OE1 3.23Å
486	T	98.3	Very high	92.8	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.2	170.8	63.5	0	0	0	0	109.9	I432 F464 D488 Q492 I495	I432-T486 HydrophobicContact CG2-CG2 4.32Å; F464-T486 HydrophobicContact CD1-CG2 3.76Å; F464-T486 HydrophobicContact CE1-CG2 3.76Å; T486-D488 WeakPolarHBondContact CB-O 3.34Å; T486-D488 PolarHBondContact OG1-O 3.49Å; T486-Q492 WeakPolarHBondContact OG1-CA 3.5Å; T486-Q492 PolarHBondContact OG1-N 3.47Å; T486-Q492 PolarHBondContact OG1-OE1 2.79Å; T486-I495 HydrophobicContact CG2-CD1 4.02Å; T486-I495 HydrophobicContact CG2-CG1 4.36Å; T486-I495 HydrophobicContact CG2-CG2 3.95Å
487	K	98.3	Very high	93.1	Very high	123 Å²	123	68.6 Å²	68.6	54%	0.535	33%	0.329	S	S	.	.	S	Bend	trans	-70.7	-36.8	177.8	-73.9	-176.3	167.2	-170	0	112.3	D429 N430 Y431	D429-K487 WeakPolarHBondContact O-CE 3.46Å; D429-K487 PolarHBondContact O-NZ 2.94Å; N430-K487 WeakPolarHBondContact O-CD 3.36Å; Y431-K487 WeakPolarHBondContact O-CB 3.43Å; Y431-K487 PolarHBondContact O-N 2.82Å
488	D	97.2	Very high	93.5	Very high	56 Å²	56	68.3 Å²	68.3	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	-93.2	110.1	162.9	-177.2	-10.7	0	0	0	108.4	T486 K490 Y491	T486-D488 WeakPolarHBondContact CB-O 3.34Å; T486-D488 PolarHBondContact OG1-O 3.49Å; D488-K490 PolarHBondContact O-N 2.01Å; D488-K490 VanDerWaalsContact O-N 3.15Å; D488-K490 WeakPolarHBondContact OD1-CB 3.35Å; D488-K490 WeakPolarHBondContact OD1-CG 3.2Å; D488-K490 PolarHBondContact OD1-N 3.36Å; D488-Y491 HydrophobicContact CB-CD2 3.83Å; D488-Y491 HydrophobicContact CB-CE2 4.21Å; D488-Y491 PolarHBondContact O-N 3.33Å; D488-Y491 VanDerWaalsContact O-N 3.14Å; D488-Y491 WeakPolarHBondContact OD2-CE2 3.39Å
489	S	96.7	Very high	93.7	Very high	84 Å²	84	70.8 Å²	70.8	59%	0.587	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.6	-175.4	58.2	0	0	0	0	113.5	Y491 Q492	S489-Y491 PolarHBondContact O-N 3.09Å; S489-Q492 WeakPolarHBondContact O-CB 3.37Å; S489-Q492 PolarHBondContact O-N 3.27Å
490	K	95.6	Very high	94	Very high	168 Å²	168	73.3 Å²	73.3	73%	0.73	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.6	175.7	-62.3	172.4	-164.2	129.6	0	112.5	D488	D488-K490 PolarHBondContact O-N 2.01Å; D488-K490 VanDerWaalsContact O-N 3.15Å; D488-K490 WeakPolarHBondContact OD1-CB 3.35Å; D488-K490 WeakPolarHBondContact OD1-CG 3.2Å; D488-K490 PolarHBondContact OD1-N 3.36Å
491	Y	96.6	Very high	94.4	Very high	104 Å²	104	67.2 Å²	67.2	41%	0.408	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-96.7	2.2	179.4	-61.6	-77	0	0	0	114	F464 D488 S489 W493 T494	F464-Y491 HydrophobicContact CB-CD1 4.21Å; F464-Y491 HydrophobicContact CB-CG 4.29Å; F464-Y491 AromaticContact CD2-CD1 3.81Å; F464-Y491 HydrophobicContact CD2-CD1 3.81Å; F464-Y491 AromaticContact CD2-CD2 3.83Å; F464-Y491 HydrophobicContact CD2-CD2 3.83Å; F464-Y491 HydrophobicContact CD2-CE1 4.35Å; F464-Y491 HydrophobicContact CD2-CE2 4.37Å; F464-Y491 AromaticContact CD2-CG 3.51Å; F464-Y491 HydrophobicContact CD2-CG 3.51Å; F464-Y491 AromaticContact CE2-CD2 3.74Å; F464-Y491 HydrophobicContact CE2-CD2 3.74Å; F464-Y491 HydrophobicContact CE2-CE2 4.23Å; F464-Y491 AromaticContact CE2-CG 3.92Å; F464-Y491 HydrophobicContact CE2-CG 3.92Å; F464-Y491 HydrophobicContact CG-CD1 4.25Å; F464-Y491 AromaticContact CG-CG 3.93Å; F464-Y491 HydrophobicContact CG-CG 3.93Å; F464-Y491 HydrophobicContact CZ-CD2 4.43Å; D488-Y491 HydrophobicContact CB-CD2 3.83Å; D488-Y491 HydrophobicContact CB-CE2 4.21Å; D488-Y491 PolarHBondContact O-N 3.33Å; D488-Y491 VanDerWaalsContact O-N 3.14Å; D488-Y491 WeakPolarHBondContact OD2-CE2 3.39Å; S489-Y491 PolarHBondContact O-N 3.09Å; Y491-W493 PolarHBondContact O-N 3.14Å; Y491-W493 VanDerWaalsContact O-N 3.13Å; Y491-T494 VanDerWaalsContact O-CB 3.3Å; Y491-T494 WeakPolarHBondContact O-CB 3.23Å; Y491-T494 PolarHBondContact O-N 3.49Å; Y491-T494 PolarHBondContact O-OG1 3.46Å
492	Q	97.3	Very high	94.8	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.033	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.7	-174.1	-175.1	57.6	65.9	0	0	113.3	Y482 I484 Q485 T486 S489 I495	Y482-Q492 HydrophobicContact CE1-CG 4.43Å; Y482-Q492 HydrophobicContact CE2-CG 4.05Å; I484-Q492 PolarHBondContact O-NE2 3.23Å; I484-Q492 VanDerWaalsContact O-NE2 3.15Å; Q485-Q492 VanDerWaalsContact CD-OE1 3.23Å; T486-Q492 WeakPolarHBondContact OG1-CA 3.5Å; T486-Q492 PolarHBondContact OG1-N 3.47Å; T486-Q492 PolarHBondContact OG1-OE1 2.79Å; S489-Q492 WeakPolarHBondContact O-CB 3.37Å; S489-Q492 PolarHBondContact O-N 3.27Å; Q492-I495 WeakPolarHBondContact O-CG1 3.36Å
493	W	93.6	Very high	94.9	Very high	207 Å²	207	62.8 Å²	62.8	78%	0.784	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.3	178.9	-57	105.1	0	0	0	113.3	Y482 Y491	Y482-W493 WeakPolarHBondContact OH-CH2 3.33Å; Y482-W493 WeakPolarHBondContact OH-CZ2 3.36Å; Y491-W493 PolarHBondContact O-N 3.14Å; Y491-W493 VanDerWaalsContact O-N 3.13Å
494	T	95	Very high	95	Very high	54 Å²	54	64 Å²	64	33%	0.331	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-36	177.9	-51.3	0	0	0	0	111.2	F464 Y491	F464-T494 HydrophobicContact CB-CG2 4.2Å; F464-T494 CarbonylContact O-C 3.52Å; Y491-T494 VanDerWaalsContact O-CB 3.3Å; Y491-T494 WeakPolarHBondContact O-CB 3.23Å; Y491-T494 PolarHBondContact O-N 3.49Å; Y491-T494 PolarHBondContact O-OG1 3.46Å
495	I	95.5	Very high	95	Very high	11 Å²	11	64.5 Å²	64.5	6%	0.056	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	143	-178.7	61.8	167.2	0	0	0	112.6	F464 H469 I484 T486 Q492	F464-I495 HydrophobicContact CB-CG2 3.91Å; F464-I495 HydrophobicContact CD1-CG2 3.8Å; F464-I495 HydrophobicContact CG-CG2 4.36Å; F464-I495 WeakPolarHBondContact O-CA 3.32Å; F464-I495 WeakPolarHBondContact O-CG2 3.47Å; F464-I495 PolarHBondContact O-N 3Å; H469-I495 VanDerWaalsContact CE1-CG2 3.49Å; H469-I495 WeakPolarHBondContact CE1-CG2 3.27Å; I484-I495 HydrophobicContact CB-CD1 4.17Å; I484-I495 HydrophobicContact CG2-CD1 3.88Å; T486-I495 HydrophobicContact CG2-CD1 4.02Å; T486-I495 HydrophobicContact CG2-CG1 4.36Å; T486-I495 HydrophobicContact CG2-CG2 3.95Å; Q492-I495 WeakPolarHBondContact O-CG1 3.36Å
496	G	92.3	Very high	94.9	Very high	22 Å²	22	61 Å²	61	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	13.5	179.8	0	0	0	0	0	115.6	H469 Y470	H469-G496 WeakPolarHBondContact O-CA 3.1Å; Y470-G496 PolarHBondContact O-N 2.89Å
497	Q	92.7	Very high	94.6	Very high	41 Å²	41	61.5 Å²	61.5	19%	0.192	29%	0.293	C	S	.	.			trans	-65.1	144	172.6	74.9	82.8	9.2	0	0	110.5	G465 Y500	G465-Q497 PolarHBondContact O-NE2 2.91Å; Q497-Y500 PolarHBondContact NE2-O 3.36Å; Q497-Y500 PolarHBondContact OE1-O 2.86Å
498	R	90.6	Very high	94.3	Very high	32 Å²	32	56.2 Å²	56.2	12%	0.121	27%	0.271	C	S	.	.			trans	-132.8	26.2	179.9	-69.7	-69.1	-154.4	-161.5	12.5	111.8	E287 D296 G407 H411 E467	E287-R498 WeakPolarHBondContact OE2-CG 3.47Å; E287-R498 IonicContact OE2-CZ 2.75Å; E287-R498 IonicContact OE2-NE 2.74Å; E287-R498 PolarHBondContact OE2-NE 2.96Å; E287-R498 IonicContact OE2-NH2 2.9Å; D296-R498 IonicContact OD2-NH2 3.61Å; G407-R498 VanDerWaalsContact CA-O 3.31Å; G407-R498 WeakPolarHBondContact CA-O 3.42Å; H411-R498 VanDerWaalsContact CD2-CZ 3.45Å; H411-R498 PolarHBondContact CD2-NH1 2.97Å; H411-R498 PolarHBondContact CD2-NH2 3.45Å; H411-R498 PolarHBondContact CE1-NH1 2.89Å; H411-R498 PolarHBondContact ND1-NH1 2.96Å; H411-R498 PolarHBondContact NE2-NH1 3.45Å; H411-R498 PolarHBondContact NE2-NH2 3.02Å; E467-R498 PolarHBondContact O-NH1 3.3Å
499	D	90.6	Very high	94.1	Very high	111 Å²	111	53.6 Å²	53.6	59%	0.594	26%	0.257	S	S	*	.	S	Bend	trans	-83.4	-44	-175.6	-70.1	-17.8	0	0	0	110.7
500	Y	90.7	Very high	93.9	Very high	138 Å²	138	50 Å²	50	54%	0.541	23%	0.231	S	C	.	.	S	Bend	trans	-169.7	162.1	-179	45	-92.3	0	0	0	112.5	Q497	Q497-Y500 PolarHBondContact NE2-O 3.36Å; Q497-Y500 PolarHBondContact OE1-O 2.86Å
501	P	95.3	Very high	93.5	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.123	21%	0.208	C	C	.	.			trans	-57.4	136.7	171.4	-23.8	30.2	0	0	0	112.8	K356 W357 C410 E467 D505	K356-P501 HydrophobicContact CB-CG 4.44Å; W357-P501 HydrophobicContact CH2-CB 3.5Å; W357-P501 HydrophobicContact CH2-CG 3.54Å; W357-P501 HydrophobicContact CZ2-CB 4.12Å; W357-P501 HydrophobicContact CZ2-CG 3.64Å; W357-P501 HydrophobicContact CZ3-CB 3.86Å; W357-P501 HydrophobicContact CZ3-CG 3.99Å; C410-P501 HydrophobicContact CB-CG 3.63Å; E467-P501 WeakPolarHBondContact OE2-CA 3.27Å; E467-P501 WeakPolarHBondContact OE2-CD 3.43Å; E467-P501 WeakPolarHBondContact OE2-CG 2.98Å; P501-D505 HydrophobicContact CB-CB 4.08Å
502	S	95.8	Very high	93	Very high	17 Å²	17	39.8 Å²	39.8	12%	0.119	19%	0.193	C	C	.	.			trans	-71.8	168.6	171.3	97.7	0	0	0	0	111.8	D463 N504 D505 A506	D463-S502 VanDerWaalsContact OD2-CB 3.31Å; D463-S502 WeakPolarHBondContact OD2-CB 3.42Å; D463-S502 PolarHBondContact OD2-OG 2.78Å; S502-N504 PolarHBondContact O-N 2.9Å; S502-N504 PolarHBondContact OG-N 2.88Å; S502-D505 VanDerWaalsContact CB-OD2 3.29Å; S502-D505 WeakPolarHBondContact CB-OD2 2.98Å; S502-D505 PolarHBondContact N-OD2 3.45Å; S502-D505 PolarHBondContact O-N 2.74Å; S502-D505 PolarHBondContact OG-N 3.11Å; S502-D505 VanDerWaalsContact OG-N 3.1Å; S502-D505 PolarHBondContact OG-OD2 2.8Å; S502-A506 PolarHBondContact O-N 2.91Å
503	F	96	Very high	92.7	Very high	46 Å²	46	40.2 Å²	40.2	20%	0.202	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-38.5	170.7	171.9	-95.8	0	0	0	112.2	K507 Y528 R538 C539 P540	F503-K507 HydrophobicContact CE1-CD 4.21Å; F503-K507 WeakPolarHBondContact O-CB 3.43Å; F503-K507 PolarHBondContact O-N 3.15Å; F503-Y528 HydrophobicContact CD1-CE1 4.49Å; F503-Y528 HydrophobicContact CD2-CE1 4.11Å; F503-Y528 HydrophobicContact CE1-CD1 4.05Å; F503-Y528 AromaticContact CE1-CE1 3.84Å; F503-Y528 HydrophobicContact CE1-CE1 3.84Å; F503-Y528 AromaticContact CE2-CD1 3.96Å; F503-Y528 HydrophobicContact CE2-CD1 3.96Å; F503-Y528 AromaticContact CE2-CE1 3.37Å; F503-Y528 HydrophobicContact CE2-CE1 3.37Å; F503-Y528 AromaticContact CZ-CD1 3.4Å; F503-Y528 HydrophobicContact CZ-CD1 3.4Å; F503-Y528 VanDerWaalsContact CZ-CD1 3.4Å; F503-Y528 AromaticContact CZ-CE1 3.23Å; F503-Y528 HydrophobicContact CZ-CE1 3.23Å; F503-R538 HydrophobicContact CE2-CB 4.06Å; F503-C539 WeakPolarHBondContact CD2-O 3.37Å; F503-C539 VanDerWaalsContact CE2-O 3.3Å; F503-C539 WeakPolarHBondContact CE2-O 3.35Å; F503-P540 HydrophobicContact CD1-CB 4.41Å; F503-P540 HydrophobicContact CD1-CG 4.25Å; F503-P540 HydrophobicContact CE1-CB 4.42Å; F503-P540 HydrophobicContact CE1-CG 3.79Å; F503-P540 HydrophobicContact CZ-CG 3.92Å
504	N	94.7	Very high	92.7	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	16%	0.16	C	C	.	.	H	α-helix	trans	-79.2	-31.8	-178.3	-65.1	-49.5	0	0	0	112.1	V460 D463 S502 A506 K507 V508	V460-N504 HydrophobicContact CG1-CB 3.68Å; D463-N504 HydrophobicContact CB-CB 4.17Å; D463-N504 WeakPolarHBondContact OD2-CB 3.12Å; D463-N504 PolarHBondContact OD2-ND2 3.22Å; S502-N504 PolarHBondContact O-N 2.9Å; S502-N504 PolarHBondContact OG-N 2.88Å; N504-A506 VanDerWaalsContact C-N 3.32Å; N504-A506 PolarHBondContact O-N 3.18Å; N504-K507 WeakPolarHBondContact O-CA 3.33Å; N504-K507 WeakPolarHBondContact O-CB 3.15Å; N504-K507 PolarHBondContact O-N 2.96Å; N504-K507 VanDerWaalsContact O-N 3.07Å; N504-V508 WeakPolarHBondContact O-CG2 3.37Å; N504-V508 PolarHBondContact O-N 3.36Å
505	D	94.6	Very high	92.2	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-47.8	172.1	-63	-36.5	0	0	0	110.3	W357 S466 E467 P501 S502 K507 V508 L509	W357-D505 HydrophobicContact CH2-CB 4.22Å; S466-D505 WeakPolarHBondContact CA-OD2 3.49Å; S466-D505 WeakPolarHBondContact CB-OD1 3.42Å; S466-D505 PolarHBondContact OG-OD1 3Å; E467-D505 PolarHBondContact N-OD2 3.06Å; P501-D505 HydrophobicContact CB-CB 4.08Å; S502-D505 VanDerWaalsContact CB-OD2 3.29Å; S502-D505 WeakPolarHBondContact CB-OD2 2.98Å; S502-D505 PolarHBondContact N-OD2 3.45Å; S502-D505 PolarHBondContact O-N 2.74Å; S502-D505 PolarHBondContact OG-N 3.11Å; S502-D505 VanDerWaalsContact OG-N 3.1Å; S502-D505 PolarHBondContact OG-OD2 2.8Å; D505-K507 VanDerWaalsContact C-N 3.35Å; D505-K507 PolarHBondContact O-N 2.99Å; D505-V508 PolarHBondContact O-N 2.96Å; D505-L509 PolarHBondContact O-N 3.42Å
506	A	95.1	Very high	91.9	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-38	173	0	0	0	0	0	112.6	W357 S502 N504 V508 L509 N510	W357-A506 HydrophobicContact CZ3-CB 4.4Å; S502-A506 PolarHBondContact O-N 2.91Å; N504-A506 VanDerWaalsContact C-N 3.32Å; N504-A506 PolarHBondContact O-N 3.18Å; A506-V508 PolarHBondContact O-N 3.38Å; A506-L509 PolarHBondContact O-N 2.91Å; A506-N510 WeakPolarHBondContact O-CB 3.28Å; A506-N510 PolarHBondContact O-N 3.2Å; A506-N510 PolarHBondContact O-ND2 3.22Å
507	K	93.3	Very high	91.9	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-44.1	178.3	-171.2	172.8	-176.3	-178.9	0	111.6	Q459 V460 F503 N504 D505 L509 N510 L511 K526 Y528	Q459-K507 VanDerWaalsContact O-CE 3.31Å; Q459-K507 WeakPolarHBondContact O-CE 3.31Å; Q459-K507 PolarHBondContact O-NZ 3.47Å; V460-K507 HydrophobicContact CG2-CD 4.1Å; V460-K507 HydrophobicContact CG2-CG 4.11Å; F503-K507 HydrophobicContact CE1-CD 4.21Å; F503-K507 WeakPolarHBondContact O-CB 3.43Å; F503-K507 PolarHBondContact O-N 3.15Å; N504-K507 WeakPolarHBondContact O-CA 3.33Å; N504-K507 WeakPolarHBondContact O-CB 3.15Å; N504-K507 PolarHBondContact O-N 2.96Å; N504-K507 VanDerWaalsContact O-N 3.07Å; D505-K507 VanDerWaalsContact C-N 3.35Å; D505-K507 PolarHBondContact O-N 2.99Å; K507-L509 VanDerWaalsContact C-N 3.35Å; K507-L509 PolarHBondContact O-N 3.01Å; K507-N510 PolarHBondContact O-N 3.35Å; K507-L511 HydrophobicContact CG-CD1 4.13Å; K507-L511 HydrophobicContact CG-CG 4.39Å; K507-L511 VanDerWaalsContact O-CG 3.31Å; K507-L511 WeakPolarHBondContact O-CG 3.3Å; K507-L511 PolarHBondContact O-N 3.01Å; K507-K526 PolarHBondContact NZ-O 2.99Å; K507-Y528 HydrophobicContact CB-CD1 3.91Å; K507-Y528 HydrophobicContact CB-CE1 3.48Å; K507-Y528 VanDerWaalsContact CB-CE1 3.48Å; K507-Y528 HydrophobicContact CD-CD1 3.6Å; K507-Y528 HydrophobicContact CD-CE1 4Å; K507-Y528 HydrophobicContact CD-CG 4.38Å; K507-Y528 HydrophobicContact CG-CD1 3.48Å; K507-Y528 VanDerWaalsContact CG-CD1 3.48Å; K507-Y528 HydrophobicContact CG-CE1 3.64Å; K507-Y528 HydrophobicContact CG-CG 4.03Å
508	V	91	Very high	91.7	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-51	177.2	160.7	0	0	0	0	110.5	I326 V419 Y456 V460 N504 D505 A506 L511 A512	I326-V508 HydrophobicContact CD1-CG1 3.68Å; I326-V508 HydrophobicContact CG1-CG1 4.18Å; V419-V508 HydrophobicContact CG1-CG1 4.49Å; V419-V508 HydrophobicContact CG2-CG1 4.2Å; Y456-V508 HydrophobicContact CD1-CB 4.27Å; Y456-V508 HydrophobicContact CD1-CG1 4.19Å; Y456-V508 HydrophobicContact CD1-CG2 3.71Å; Y456-V508 HydrophobicContact CE1-CB 3.97Å; Y456-V508 HydrophobicContact CE1-CG1 3.61Å; Y456-V508 HydrophobicContact CE1-CG2 3.93Å; Y456-V508 HydrophobicContact CE2-CG1 4.42Å; Y456-V508 HydrophobicContact CG-CG2 4.37Å; V460-V508 HydrophobicContact CB-CG2 4.32Å; V460-V508 HydrophobicContact CG1-CG2 3.96Å; V460-V508 HydrophobicContact CG2-CG2 4.02Å; N504-V508 WeakPolarHBondContact O-CG2 3.37Å; N504-V508 PolarHBondContact O-N 3.36Å; D505-V508 PolarHBondContact O-N 2.96Å; A506-V508 PolarHBondContact O-N 3.38Å; V508-L511 PolarHBondContact O-N 2.9Å; V508-A512 WeakPolarHBondContact O-CB 3.13Å; V508-A512 PolarHBondContact O-N 2.86Å; V508-A512 VanDerWaalsContact O-N 3.12Å
509	L	92.1	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-38.8	178	-68.4	177.4	0	0	0	112.9	I326 W357 T361 L417 V419 D505 A506 K507 A512 Y513	I326-L509 HydrophobicContact CD1-CD2 4.43Å; W357-L509 HydrophobicContact CD2-CD1 3.96Å; W357-L509 HydrophobicContact CE3-CD1 3.53Å; W357-L509 HydrophobicContact CH2-CD1 3.72Å; W357-L509 HydrophobicContact CZ2-CD1 4.12Å; W357-L509 HydrophobicContact CZ3-CD1 3.42Å; W357-L509 VanDerWaalsContact CZ3-CD1 3.42Å; T361-L509 HydrophobicContact CG2-CB 4.14Å; T361-L509 HydrophobicContact CG2-CD1 4.44Å; L417-L509 HydrophobicContact CB-CD2 3.76Å; L417-L509 HydrophobicContact CD1-CD1 3.61Å; L417-L509 HydrophobicContact CD1-CD2 3.95Å; L417-L509 HydrophobicContact CD1-CG 4.44Å; L417-L509 HydrophobicContact CG-CD2 4.5Å; V419-L509 HydrophobicContact CG2-CD2 3.65Å; V419-L509 HydrophobicContact CG2-CG 4.34Å; D505-L509 PolarHBondContact O-N 3.42Å; A506-L509 PolarHBondContact O-N 2.91Å; K507-L509 VanDerWaalsContact C-N 3.35Å; K507-L509 PolarHBondContact O-N 3.01Å; L509-A512 PolarHBondContact O-N 3.33Å; L509-A512 VanDerWaalsContact O-N 3.16Å; L509-Y513 HydrophobicContact CD2-CD2 4.19Å; L509-Y513 HydrophobicContact CD2-CE2 3.98Å; L509-Y513 WeakPolarHBondContact O-CB 3.34Å; L509-Y513 WeakPolarHBondContact O-CD2 3.32Å; L509-Y513 PolarHBondContact O-N 2.92Å
510	N	92.6	Very high	91.1	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.043	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-40.3	177.9	-82.4	-63.8	0	0	0	112.9	T360 T361 A506 K507 A512 C514 G515 Y528 P531	T360-N510 PolarHBondContact O-ND2 3.44Å; T361-N510 WeakPolarHBondContact CA-OD1 3.39Å; A506-N510 WeakPolarHBondContact O-CB 3.28Å; A506-N510 PolarHBondContact O-N 3.2Å; A506-N510 PolarHBondContact O-ND2 3.22Å; K507-N510 PolarHBondContact O-N 3.35Å; N510-A512 VanDerWaalsContact C-N 3.26Å; N510-A512 PolarHBondContact O-N 2.93Å; N510-C514 HydrophobicContact CB-CB 4.36Å; N510-C514 CarbonylContact O-C 3.16Å; N510-C514 WeakPolarHBondContact O-CA 3.45Å; N510-C514 VanDerWaalsContact O-CB 3.3Å; N510-C514 WeakPolarHBondContact O-CB 3.2Å; N510-C514 PolarHBondContact O-N 2.87Å; N510-C514 PolarHBondContact OD1-SG 3.49Å; N510-G515 PolarHBondContact O-N 3.17Å; N510-Y528 HydrophobicContact CB-CD2 4.29Å; N510-Y528 HydrophobicContact CB-CE2 3.88Å; N510-P531 WeakPolarHBondContact OD1-CG 3.47Å
511	L	88	Confident	91.1	Very high	48 Å²	48	40.5 Å²	40.5	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-35.7	172.9	-69.1	172.3	0	0	0	111.5	Q459 V460 K507 V508	Q459-L511 HydrophobicContact CB-CD1 3.78Å; V460-L511 HydrophobicContact CG2-CD1 3.66Å; K507-L511 HydrophobicContact CG-CD1 4.13Å; K507-L511 HydrophobicContact CG-CG 4.39Å; K507-L511 VanDerWaalsContact O-CG 3.31Å; K507-L511 WeakPolarHBondContact O-CG 3.3Å; K507-L511 PolarHBondContact O-N 3.01Å; V508-L511 PolarHBondContact O-N 2.9Å
512	A	87.1	Confident	91.1	Very high	11 Å²	11	46 Å²	46	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-77.8	-36.2	-178.2	0	0	0	0	0	114.2	I326 R333 V508 L509 N510	I326-A512 HydrophobicContact CD1-CB 3.9Å; R333-A512 PolarHBondContact NH1-O 3.05Å; V508-A512 WeakPolarHBondContact O-CB 3.13Å; V508-A512 PolarHBondContact O-N 2.86Å; V508-A512 VanDerWaalsContact O-N 3.12Å; L509-A512 PolarHBondContact O-N 3.33Å; L509-A512 VanDerWaalsContact O-N 3.16Å; N510-A512 VanDerWaalsContact C-N 3.26Å; N510-A512 PolarHBondContact O-N 2.93Å
513	Y	91.2	Very high	91.1	Very high	16 Å²	16	46.2 Å²	46.2	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-117	-25.1	-169	-72.7	-82.6	0	0	0	114.8	R333 W334 L363 L417 L509	R333-Y513 HydrophobicContact CB-CE1 3.88Å; W334-Y513 HydrophobicContact CB-CE1 4.21Å; W334-Y513 PolarHBondContact N-OH 3.46Å; W334-Y513 VanDerWaalsContact O-CE1 3.27Å; W334-Y513 WeakPolarHBondContact O-CE1 3.32Å; L363-Y513 HydrophobicContact CD1-CD2 4.49Å; L363-Y513 HydrophobicContact CD2-CD1 3.82Å; L363-Y513 HydrophobicContact CD2-CD2 4.37Å; L363-Y513 HydrophobicContact CD2-CE1 4.46Å; L363-Y513 HydrophobicContact CD2-CG 3.76Å; L417-Y513 HydrophobicContact CB-CE2 4.34Å; L417-Y513 WeakPolarHBondContact O-CE2 3.41Å; L417-Y513 PolarHBondContact O-OH 3.45Å; L509-Y513 HydrophobicContact CD2-CD2 4.19Å; L509-Y513 HydrophobicContact CD2-CE2 3.98Å; L509-Y513 WeakPolarHBondContact O-CB 3.34Å; L509-Y513 WeakPolarHBondContact O-CD2 3.32Å; L509-Y513 PolarHBondContact O-N 2.92Å
514	C	92.1	Very high	90.9	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.054	28%	0.281	C	S	.	.			trans	-115.1	4.5	-162.9	-50.8	0	0	0	0	114.2	C362 N510 S516 V517 P531	C362-C514 HydrophobicContact CB-CB 3.73Å; C362-C514 WeakPolarHBondContact CB-SG 3.4Å; C362-C514 PolarHBondContact N-SG 3.06Å; C362-C514 WeakPolarHBondContact SG-CA 3.4Å; C362-C514 WeakPolarHBondContact SG-CB 3.41Å; C362-C514 CovalentContact SG-SG 2.04Å; C362-C514 PolarHBondContact SG-SG 3.3Å; N510-C514 HydrophobicContact CB-CB 4.36Å; N510-C514 CarbonylContact O-C 3.16Å; N510-C514 WeakPolarHBondContact O-CA 3.45Å; N510-C514 VanDerWaalsContact O-CB 3.3Å; N510-C514 WeakPolarHBondContact O-CB 3.2Å; N510-C514 PolarHBondContact O-N 2.87Å; N510-C514 PolarHBondContact OD1-SG 3.49Å; C514-S516 PolarHBondContact O-N 3.32Å; C514-S516 VanDerWaalsContact O-N 3.1Å; C514-V517 HydrophobicContact CB-CG2 4.22Å; C514-V517 WeakPolarHBondContact O-CB 3.5Å; C514-V517 PolarHBondContact O-N 3.03Å; C514-P531 HydrophobicContact CB-CB 4.08Å
515	G	86	Confident	90.8	Very high	57 Å²	57	51 Å²	51	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.5	-178.5	0	0	0	0	0	115.1	N510	N510-G515 PolarHBondContact O-N 3.17Å
516	S	87.5	Confident	90.6	Very high	114 Å²	114	57.8 Å²	57.8	80%	0.797	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.5	175.3	57.3	0	0	0	0	114.1	C514	C514-S516 PolarHBondContact O-N 3.32Å; C514-S516 VanDerWaalsContact O-N 3.1Å
517	V	91.9	Very high	90.6	Very high	64 Å²	64	58.1 Å²	58.1	39%	0.388	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-40.3	-176	-178.8	0	0	0	0	111.1	C362 C514 P531 C534	C362-V517 HydrophobicContact CB-CG2 3.78Å; C514-V517 HydrophobicContact CB-CG2 4.22Å; C514-V517 WeakPolarHBondContact O-CB 3.5Å; C514-V517 PolarHBondContact O-N 3.03Å; V517-P531 VanDerWaalsContact CG1-O 3.27Å; V517-P531 WeakPolarHBondContact CG1-O 3.28Å; V517-C534 PolarHBondContact O-SG 3.28Å; V517-C534 VanDerWaalsContact O-SG 3.41Å
518	C	89.2	Confident	90.6	Very high	14 Å²	14	58.5 Å²	58.5	10%	0.095	33%	0.328	C	S	.	.	S	Bend	trans	-130.4	145.4	-178.7	-61	0	0	0	0	110.3	A529 D530 C534	C518-A529 HydrophobicContact CB-CB 4.29Å; C518-D530 PolarHBondContact SG-O 3Å; C518-C534 WeakPolarHBondContact CA-SG 3.18Å; C518-C534 HydrophobicContact CB-CB 3.58Å; C518-C534 WeakPolarHBondContact CB-SG 3.32Å; C518-C534 WeakPolarHBondContact SG-CA 3.34Å; C518-C534 WeakPolarHBondContact SG-CB 3.05Å; C518-C534 CovalentContact SG-SG 2.04Å; C518-C534 PolarHBondContact SG-SG 3.01Å
519	M	85.9	Confident	90.8	Very high	167 Å²	167	58.8 Å²	58.8	82%	0.823	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-65.3	146.9	163.6	-67.7	-175.2	-68.1	0	0	109.6	I521	M519-I521 PolarHBondContact O-N 2.78Å
520	N	82.9	Confident	91	Very high	156 Å²	156	59.8 Å²	59.8	83%	0.834	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-62	121.5	174	-79.4	-29.9	0	0	0	110
521	I	91.9	Very high	91.1	Very high	41 Å²	41	60 Å²	60	21%	0.21	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-104	152.3	170.8	58	167.8	0	0	0	109.5	M519 C523 A529 C537	M519-I521 PolarHBondContact O-N 2.78Å; I521-C523 VanDerWaalsContact C-N 3.32Å; I521-C523 PolarHBondContact O-N 2.63Å; I521-A529 HydrophobicContact CG1-CB 3.94Å; I521-C537 VanDerWaalsContact CD1-SG 3.55Å
522	N	94.6	Very high	91.4	Very high	134 Å²	134	63.2 Å²	63.2	72%	0.717	35%	0.351	S	S	*	.			trans	-72.9	80.4	-177.2	-175	17.2	0	0	0	112.2	R547	N522-R547 WeakPolarHBondContact O-CD 3.41Å
523	C	94.7	Very high	91.8	Very high	23 Å²	23	66.3 Å²	66.3	16%	0.155	37%	0.366	C	S	.	.			trans	-78.1	129.8	174.5	-59.1	0	0	0	0	111.3	I521 G527 C537	I521-C523 VanDerWaalsContact C-N 3.32Å; I521-C523 PolarHBondContact O-N 2.63Å; C523-G527 VanDerWaalsContact CB-C 3.4Å; C523-G527 WeakPolarHBondContact CB-O 3.37Å; C523-C537 WeakPolarHBondContact CA-SG 3.37Å; C523-C537 HydrophobicContact CB-CB 3.8Å; C523-C537 WeakPolarHBondContact CB-SG 3.29Å; C523-C537 WeakPolarHBondContact SG-CB 3.35Å; C523-C537 CovalentContact SG-SG 2.02Å; C523-C537 PolarHBondContact SG-SG 3.36Å
524	Q	93.5	Very high	92	Very high	94 Å²	94	67.7 Å²	67.7	44%	0.439	38%	0.378	S	S	.	.	S	Bend	trans	-85.8	170.2	174.7	-56.1	-173.9	20	0	0	111	K526 G527 R547	Q524-K526 PolarHBondContact O-N 3.29Å; Q524-K526 VanDerWaalsContact O-N 3.08Å; Q524-G527 PolarHBondContact O-N 3.27Å; Q524-R547 WeakPolarHBondContact CA-O 3.34Å; Q524-R547 VanDerWaalsContact CB-O 3.31Å; Q524-R547 WeakPolarHBondContact CB-O 3.49Å; Q524-R547 PolarHBondContact N-O 3.49Å
525	N	91.2	Very high	92.2	Very high	77 Å²	77	73 Å²	73	41%	0.412	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	39.6	171.8	-60.3	-42.4	0	0	0	114	G527 P540 L543 C548	N525-G527 PolarHBondContact O-N 2.64Å; N525-P540 VanDerWaalsContact O-CG 3.32Å; N525-P540 WeakPolarHBondContact O-CG 3.25Å; N525-L543 HydrophobicContact CB-CD1 3.37Å; N525-C548 PolarHBondContact ND2-O 3.46Å
526	K	91.8	Very high	92.6	Very high	153 Å²	153	71.8 Å²	71.8	67%	0.665	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	15.5	179.8	-51.9	-63.1	-174.7	174.6	0	115.3	K507 Q524	K507-K526 PolarHBondContact NZ-O 2.99Å; Q524-K526 PolarHBondContact O-N 3.29Å; Q524-K526 VanDerWaalsContact O-N 3.08Å
527	G	94.5	Very high	93.1	Very high	11 Å²	11	66.8 Å²	66.8	11%	0.113	35%	0.351	C	S	.	.			trans	-58.9	168.3	165.7	0	0	0	0	0	112.8	C523 Q524 N525 R538	C523-G527 VanDerWaalsContact CB-C 3.4Å; C523-G527 WeakPolarHBondContact CB-O 3.37Å; Q524-G527 PolarHBondContact O-N 3.27Å; N525-G527 PolarHBondContact O-N 2.64Å; G527-R538 WeakPolarHBondContact CA-O 3.37Å
528	Y	93.5	Very high	93.3	Very high	21 Å²	21	66.4 Å²	66.4	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.5	174.8	60.1	-86	0	0	0	110.8	F503 K507 N510 D530 C537 R538	F503-Y528 HydrophobicContact CD1-CE1 4.49Å; F503-Y528 HydrophobicContact CD2-CE1 4.11Å; F503-Y528 HydrophobicContact CE1-CD1 4.05Å; F503-Y528 AromaticContact CE1-CE1 3.84Å; F503-Y528 HydrophobicContact CE1-CE1 3.84Å; F503-Y528 AromaticContact CE2-CD1 3.96Å; F503-Y528 HydrophobicContact CE2-CD1 3.96Å; F503-Y528 AromaticContact CE2-CE1 3.37Å; F503-Y528 HydrophobicContact CE2-CE1 3.37Å; F503-Y528 AromaticContact CZ-CD1 3.4Å; F503-Y528 HydrophobicContact CZ-CD1 3.4Å; F503-Y528 VanDerWaalsContact CZ-CD1 3.4Å; F503-Y528 AromaticContact CZ-CE1 3.23Å; F503-Y528 HydrophobicContact CZ-CE1 3.23Å; K507-Y528 HydrophobicContact CB-CD1 3.91Å; K507-Y528 HydrophobicContact CB-CE1 3.48Å; K507-Y528 VanDerWaalsContact CB-CE1 3.48Å; K507-Y528 HydrophobicContact CD-CD1 3.6Å; K507-Y528 HydrophobicContact CD-CE1 4Å; K507-Y528 HydrophobicContact CD-CG 4.38Å; K507-Y528 HydrophobicContact CG-CD1 3.48Å; K507-Y528 VanDerWaalsContact CG-CD1 3.48Å; K507-Y528 HydrophobicContact CG-CE1 3.64Å; K507-Y528 HydrophobicContact CG-CG 4.03Å; N510-Y528 HydrophobicContact CB-CD2 4.29Å; N510-Y528 HydrophobicContact CB-CE2 3.88Å; Y528-D530 PolarHBondContact O-N 3.45Å; Y528-C537 CarbonylContact O-C 3.52Å; Y528-C537 VanDerWaalsContact O-CA 3.23Å; Y528-C537 WeakPolarHBondContact O-CA 3.33Å; Y528-R538 HydrophobicContact CD1-CB 4.48Å; Y528-R538 HydrophobicContact CD2-CB 4.45Å; Y528-R538 HydrophobicContact CE1-CB 4.11Å; Y528-R538 HydrophobicContact CE2-CB 4.04Å; Y528-R538 HydrophobicContact CE2-CG 4.38Å; Y528-R538 PolarHBondContact N-O 2.84Å; Y528-R538 PolarHBondContact O-N 3.26Å
529	A	94.8	Very high	93.6	Very high	18 Å²	18	67.1 Å²	67.1	15%	0.149	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	130.8	-179.6	0	0	0	0	0	110.7	C518 I521 P531	C518-A529 HydrophobicContact CB-CB 4.29Å; I521-A529 HydrophobicContact CG1-CB 3.94Å; A529-P531 WeakPolarHBondContact O-CD 3.4Å
530	D	95.7	Very high	94	Very high	21 Å²	21	60.5 Å²	60.5	11%	0.112	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.1	177.7	-167.3	-30	0	0	0	109.8	C518 Y528 K532 N533 V536 R538	C518-D530 PolarHBondContact SG-O 3Å; Y528-D530 PolarHBondContact O-N 3.45Å; D530-K532 PolarHBondContact O-N 3.36Å; D530-K532 VanDerWaalsContact O-N 3.07Å; D530-K532 WeakPolarHBondContact OD1-CB 3.46Å; D530-K532 PolarHBondContact OD1-N 2.99Å; D530-N533 CarbonylContact O-C 3.56Å; D530-N533 VanDerWaalsContact O-C 3.23Å; D530-N533 PolarHBondContact O-N 3.5Å; D530-N533 VanDerWaalsContact O-N 3.1Å; D530-V536 HydrophobicContact CB-CG2 4.06Å; D530-V536 WeakPolarHBondContact CB-O 3.39Å; D530-V536 PolarHBondContact N-O 2.96Å; D530-R538 HydrophobicContact CB-CG 3.77Å; D530-R538 VanDerWaalsContact CG-NE 3.25Å; D530-R538 IonicContact OD1-CZ 3.91Å; D530-R538 IonicContact OD1-NE 3.37Å; D530-R538 PolarHBondContact OD1-NE 3.28Å; D530-R538 VanDerWaalsContact OD1-NE 3.07Å; D530-R538 IonicContact OD1-NH2 3.58Å; D530-R538 PolarHBondContact OD1-NH2 3.04Å; D530-R538 WeakPolarHBondContact OD2-CG 3.46Å; D530-R538 IonicContact OD2-CZ 3.94Å; D530-R538 IonicContact OD2-NE 3.09Å; D530-R538 PolarHBondContact OD2-NE 3.47Å; D530-R538 VanDerWaalsContact OD2-NE 3.16Å; D530-R538 IonicContact OD2-NH2 3.78Å; D530-R538 PolarHBondContact OD2-NH2 3.29Å
531	P	95	Very high	94.4	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.078	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.7	178.5	31	-43.2	0	0	0	113.4	C362 N510 C514 V517 A529	C362-P531 HydrophobicContact CB-CB 4.01Å; N510-P531 WeakPolarHBondContact OD1-CG 3.47Å; C514-P531 HydrophobicContact CB-CB 4.08Å; V517-P531 VanDerWaalsContact CG1-O 3.27Å; V517-P531 WeakPolarHBondContact CG1-O 3.28Å; A529-P531 WeakPolarHBondContact O-CD 3.4Å
532	K	94.9	Very high	94.4	Very high	116 Å²	116	58 Å²	58	50%	0.504	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.5	179.6	-64.3	-164.2	172.9	-162.8	0	113.7	R358 D359 D530	R358-K532 WeakPolarHBondContact O-CE 3.27Å; R358-K532 PolarHBondContact O-NZ 3.46Å; D359-K532 WeakPolarHBondContact O-CE 3.27Å; D359-K532 IonicContact OD1-NZ 2.97Å; D530-K532 PolarHBondContact O-N 3.36Å; D530-K532 VanDerWaalsContact O-N 3.07Å; D530-K532 WeakPolarHBondContact OD1-CB 3.46Å; D530-K532 PolarHBondContact OD1-N 2.99Å
533	N	95.3	Very high	94.4	Very high	75 Å²	75	53 Å²	53	40%	0.401	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	91.2	179.6	-177.5	-6.6	0	0	0	109.5	D530 N535 V536	D530-N533 CarbonylContact O-C 3.56Å; D530-N533 VanDerWaalsContact O-C 3.23Å; D530-N533 PolarHBondContact O-N 3.5Å; D530-N533 VanDerWaalsContact O-N 3.1Å; N533-N535 PolarHBondContact O-N 3.32Å; N533-N535 PolarHBondContact OD1-N 2.97Å; N533-V536 HydrophobicContact CB-CG2 3.77Å; N533-V536 WeakPolarHBondContact O-CG2 3.24Å; N533-V536 PolarHBondContact O-N 3.18Å
534	C	95.1	Very high	94.3	Very high	46 Å²	46	53.3 Å²	53.3	31%	0.311	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-5.4	-174.1	-57.6	0	0	0	0	115.5	V517 C518	V517-C534 PolarHBondContact O-SG 3.28Å; V517-C534 VanDerWaalsContact O-SG 3.41Å; C518-C534 WeakPolarHBondContact CA-SG 3.18Å; C518-C534 HydrophobicContact CB-CB 3.58Å; C518-C534 WeakPolarHBondContact CB-SG 3.32Å; C518-C534 WeakPolarHBondContact SG-CA 3.34Å; C518-C534 WeakPolarHBondContact SG-CB 3.05Å; C518-C534 CovalentContact SG-SG 2.04Å; C518-C534 PolarHBondContact SG-SG 3.01Å
535	N	95.5	Very high	94.4	Very high	120 Å²	120	50.3 Å²	50.3	64%	0.642	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	-5.4	178	-64.8	-48	0	0	0	113.5	N533 R547	N533-N535 PolarHBondContact O-N 3.32Å; N533-N535 PolarHBondContact OD1-N 2.97Å; N535-R547 PolarHBondContact O-NH1 3.49Å
536	V	96.2	Very high	94.6	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.5	-178.7	-57.2	0	0	0	0	111.4	D530 N533 N546	D530-V536 HydrophobicContact CB-CG2 4.06Å; D530-V536 WeakPolarHBondContact CB-O 3.39Å; D530-V536 PolarHBondContact N-O 2.96Å; N533-V536 HydrophobicContact CB-CG2 3.77Å; N533-V536 WeakPolarHBondContact O-CG2 3.24Å; N533-V536 PolarHBondContact O-N 3.18Å; V536-N546 HydrophobicContact CG1-CB 4.37Å
537	C	96.7	Very high	94.9	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.8	174.1	-62.2	0	0	0	0	110.8	I521 C523 Y528 N546 C548	I521-C537 VanDerWaalsContact CD1-SG 3.55Å; C523-C537 WeakPolarHBondContact CA-SG 3.37Å; C523-C537 HydrophobicContact CB-CB 3.8Å; C523-C537 WeakPolarHBondContact CB-SG 3.29Å; C523-C537 WeakPolarHBondContact SG-CB 3.35Å; C523-C537 CovalentContact SG-SG 2.02Å; C523-C537 PolarHBondContact SG-SG 3.36Å; Y528-C537 CarbonylContact O-C 3.52Å; Y528-C537 VanDerWaalsContact O-CA 3.23Å; Y528-C537 WeakPolarHBondContact O-CA 3.33Å; C537-N546 PolarHBondContact N-O 2.87Å; C537-N546 PolarHBondContact SG-O 2.94Å; C537-C548 WeakPolarHBondContact CB-SG 3.38Å
538	R	95.7	Very high	94.9	Very high	56 Å²	56	47.8 Å²	47.8	21%	0.211	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.4	155.6	-73.3	-166.1	174	-107.5	-5.8	109.1	D359 F503 G527 Y528 D530 C548	D359-R538 PolarHBondContact O-NH2 3.42Å; F503-R538 HydrophobicContact CE2-CB 4.06Å; G527-R538 WeakPolarHBondContact CA-O 3.37Å; Y528-R538 HydrophobicContact CD1-CB 4.48Å; Y528-R538 HydrophobicContact CD2-CB 4.45Å; Y528-R538 HydrophobicContact CE1-CB 4.11Å; Y528-R538 HydrophobicContact CE2-CB 4.04Å; Y528-R538 HydrophobicContact CE2-CG 4.38Å; Y528-R538 PolarHBondContact N-O 2.84Å; Y528-R538 PolarHBondContact O-N 3.26Å; D530-R538 HydrophobicContact CB-CG 3.77Å; D530-R538 VanDerWaalsContact CG-NE 3.25Å; D530-R538 IonicContact OD1-CZ 3.91Å; D530-R538 IonicContact OD1-NE 3.37Å; D530-R538 PolarHBondContact OD1-NE 3.28Å; D530-R538 VanDerWaalsContact OD1-NE 3.07Å; D530-R538 IonicContact OD1-NH2 3.58Å; D530-R538 PolarHBondContact OD1-NH2 3.04Å; D530-R538 WeakPolarHBondContact OD2-CG 3.46Å; D530-R538 IonicContact OD2-CZ 3.94Å; D530-R538 IonicContact OD2-NE 3.09Å; D530-R538 PolarHBondContact OD2-NE 3.47Å; D530-R538 VanDerWaalsContact OD2-NE 3.16Å; D530-R538 IonicContact OD2-NH2 3.78Å; D530-R538 PolarHBondContact OD2-NH2 3.29Å; R538-C548 PolarHBondContact O-SG 3.26Å
539	C	96.1	Very high	94.9	Very high	28 Å²	28	49.2 Å²	49.2	19%	0.189	27%	0.267	C	S	.	.			trans	-109.1	143.6	-173.9	-55.1	0	0	0	0	111.3	F503 L543 C548	F503-C539 WeakPolarHBondContact CD2-O 3.37Å; F503-C539 VanDerWaalsContact CE2-O 3.3Å; F503-C539 WeakPolarHBondContact CE2-O 3.35Å; C539-L543 HydrophobicContact CB-CB 4Å; C539-C548 WeakPolarHBondContact CA-SG 3.1Å; C539-C548 HydrophobicContact CB-CB 3.67Å; C539-C548 WeakPolarHBondContact CB-SG 3.39Å; C539-C548 WeakPolarHBondContact SG-CA 3.3Å; C539-C548 WeakPolarHBondContact SG-CB 3.41Å; C539-C548 CovalentContact SG-SG 2.04Å; C539-C548 PolarHBondContact SG-SG 3.45Å
540	P	94.5	Very high	94.7	Very high	28 Å²	28	54.3 Å²	54.3	18%	0.182	29%	0.286	C	S	.	.			trans	-53.1	156	166.6	-24.1	33.2	0	0	0	111.4	F503 N525 G542 L543	F503-P540 HydrophobicContact CD1-CB 4.41Å; F503-P540 HydrophobicContact CD1-CG 4.25Å; F503-P540 HydrophobicContact CE1-CB 4.42Å; F503-P540 HydrophobicContact CE1-CG 3.79Å; F503-P540 HydrophobicContact CZ-CG 3.92Å; N525-P540 VanDerWaalsContact O-CG 3.32Å; N525-P540 WeakPolarHBondContact O-CG 3.25Å; P540-G542 PolarHBondContact O-N 2.9Å; P540-L543 HydrophobicContact CB-CD1 4.4Å; P540-L543 HydrophobicContact CG-CD1 4.33Å; P540-L543 PolarHBondContact O-N 3.39Å
541	E	90.9	Very high	94.5	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.2	-179.5	-172.7	51.4	-136.7	0	0	111.3	L543 K552	E541-L543 VanDerWaalsContact C-N 3.31Å; E541-L543 PolarHBondContact O-N 3.35Å; E541-K552 IonicContact OE1-NZ 3.68Å; E541-K552 PolarHBondContact OE1-NZ 2.9Å; E541-K552 IonicContact OE2-NZ 3.36Å; E541-K552 PolarHBondContact OE2-NZ 2.94Å
542	G	91.9	Very high	94.4	Very high	13 Å²	13	56.9 Å²	56.9	13%	0.134	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-8.8	-174	0	0	0	0	0	116.6	P540 S551 K552 Y581	P540-G542 PolarHBondContact O-N 2.9Å; G542-S551 CarbonylContact O-C 3.57Å; G542-S551 WeakPolarHBondContact O-CA 3.49Å; G542-K552 PolarHBondContact O-N 3.27Å; G542-Y581 VanDerWaalsContact CA-CD1 3.42Å
543	L	94.5	Very high	94.2	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	156.5	174.9	-62.1	176.9	0	0	0	112.9	N525 C539 P540 E541 K550 K552 L583	N525-L543 HydrophobicContact CB-CD1 3.37Å; C539-L543 HydrophobicContact CB-CB 4Å; P540-L543 HydrophobicContact CB-CD1 4.4Å; P540-L543 HydrophobicContact CG-CD1 4.33Å; P540-L543 PolarHBondContact O-N 3.39Å; E541-L543 VanDerWaalsContact C-N 3.31Å; E541-L543 PolarHBondContact O-N 3.35Å; L543-K550 CarbonylContact C-O 3.57Å; L543-K550 WeakPolarHBondContact CA-O 3.46Å; L543-K552 WeakPolarHBondContact O-CG 3.35Å; L543-L583 HydrophobicContact CD2-CD1 3.85Å
544	A	94.1	Very high	93.9	Very high	30 Å²	30	55.8 Å²	55.8	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-179	-178.4	0	0	0	0	0	111.6	C548 E549 K550 K552	A544-C548 CarbonylContact O-C 3.34Å; A544-C548 VanDerWaalsContact O-CA 3.29Å; A544-C548 WeakPolarHBondContact O-CA 3.43Å; A544-E549 PolarHBondContact O-N 2.56Å; A544-K550 PolarHBondContact N-O 2.78Å; A544-K550 PolarHBondContact O-N 2.96Å; A544-K550 VanDerWaalsContact O-N 3.14Å; A544-K550 VanDerWaalsContact O-O 3.09Å; A544-K552 HydrophobicContact CB-CG 4Å
545	G	94.4	Very high	93.6	Very high	32 Å²	32	55.7 Å²	55.7	33%	0.33	30%	0.304	S	S	.	.	S	Bend	trans	96.7	163.1	-174.7	0	0	0	0	0	111.9	R547 C548	G545-R547 PolarHBondContact O-N 2.75Å; G545-R547 VanDerWaalsContact O-N 3.15Å; G545-C548 PolarHBondContact O-N 3.46Å
546	N	96.3	Very high	93.1	Very high	103 Å²	103	56.2 Å²	56.2	55%	0.551	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.4	-176	-69.8	-12.1	0	0	0	112.3	V536 C537 E549	V536-N546 HydrophobicContact CG1-CB 4.37Å; C537-N546 PolarHBondContact N-O 2.87Å; C537-N546 PolarHBondContact SG-O 2.94Å; N546-E549 PolarHBondContact N-OE2 3.41Å
547	R	97.1	Very high	92.7	Very high	84 Å²	84	58 Å²	58	32%	0.317	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	15.7	179.7	-55.6	-64.6	176.9	-99	3.7	112.3	N522 Q524 N535 G545 E549	N522-R547 WeakPolarHBondContact O-CD 3.41Å; Q524-R547 WeakPolarHBondContact CA-O 3.34Å; Q524-R547 VanDerWaalsContact CB-O 3.31Å; Q524-R547 WeakPolarHBondContact CB-O 3.49Å; Q524-R547 PolarHBondContact N-O 3.49Å; N535-R547 PolarHBondContact O-NH1 3.49Å; G545-R547 PolarHBondContact O-N 2.75Å; G545-R547 VanDerWaalsContact O-N 3.15Å; R547-E549 VanDerWaalsContact C-OE2 3.3Å; R547-E549 VanDerWaalsContact CA-OE2 3.3Å; R547-E549 WeakPolarHBondContact CA-OE2 3.21Å; R547-E549 WeakPolarHBondContact CB-OE2 3.37Å; R547-E549 PolarHBondContact N-OE2 2.72Å; R547-E549 PolarHBondContact O-N 3.17Å
548	C	95.8	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	60	28	-175.3	-47.9	0	0	0	0	113.8	N525 C537 R538 C539 A544 G545 K550	N525-C548 PolarHBondContact ND2-O 3.46Å; C537-C548 WeakPolarHBondContact CB-SG 3.38Å; R538-C548 PolarHBondContact O-SG 3.26Å; C539-C548 WeakPolarHBondContact CA-SG 3.1Å; C539-C548 HydrophobicContact CB-CB 3.67Å; C539-C548 WeakPolarHBondContact CB-SG 3.39Å; C539-C548 WeakPolarHBondContact SG-CA 3.3Å; C539-C548 WeakPolarHBondContact SG-CB 3.41Å; C539-C548 CovalentContact SG-SG 2.04Å; C539-C548 PolarHBondContact SG-SG 3.45Å; A544-C548 CarbonylContact O-C 3.34Å; A544-C548 VanDerWaalsContact O-CA 3.29Å; A544-C548 WeakPolarHBondContact O-CA 3.43Å; G545-C548 PolarHBondContact O-N 3.46Å; C548-K550 VanDerWaalsContact C-N 3.35Å
549	E	93	Very high	91.6	Very high	51 Å²	51	58.1 Å²	58.1	24%	0.238	35%	0.345	C	S	.	.			trans	-85.5	-5.1	-171.8	75.5	-64.1	165.3	0	0	114.1	A544 N546 R547	A544-E549 PolarHBondContact O-N 2.56Å; N546-E549 PolarHBondContact N-OE2 3.41Å; R547-E549 VanDerWaalsContact C-OE2 3.3Å; R547-E549 VanDerWaalsContact CA-OE2 3.3Å; R547-E549 WeakPolarHBondContact CA-OE2 3.21Å; R547-E549 WeakPolarHBondContact CB-OE2 3.37Å; R547-E549 PolarHBondContact N-OE2 2.72Å; R547-E549 PolarHBondContact O-N 3.17Å
550	K	91	Very high	91	Very high	125 Å²	125	62.7 Å²	62.7	54%	0.543	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.2	-175.3	-56.8	175.8	-173.8	165.7	0	110.7	L543 A544 C548	L543-K550 CarbonylContact C-O 3.57Å; L543-K550 WeakPolarHBondContact CA-O 3.46Å; A544-K550 PolarHBondContact N-O 2.78Å; A544-K550 PolarHBondContact O-N 2.96Å; A544-K550 VanDerWaalsContact O-N 3.14Å; A544-K550 VanDerWaalsContact O-O 3.09Å; C548-K550 VanDerWaalsContact C-N 3.35Å
551	S	91.2	Very high	90.6	Very high	25 Å²	25	62.8 Å²	62.8	18%	0.175	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	157	164.4	47.2	0	0	0	0	111.4	G542	G542-S551 CarbonylContact O-C 3.57Å; G542-S551 WeakPolarHBondContact O-CA 3.49Å
552	K	92.9	Very high	90.3	Very high	62 Å²	62	59.6 Å²	59.6	27%	0.27	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-58.8	154	166.9	-78.9	-175.4	-175.8	-179.4	0	110.8	E541 G542 L543 A544 T554 Y581	E541-K552 IonicContact OE1-NZ 3.68Å; E541-K552 PolarHBondContact OE1-NZ 2.9Å; E541-K552 IonicContact OE2-NZ 3.36Å; E541-K552 PolarHBondContact OE2-NZ 2.94Å; G542-K552 PolarHBondContact O-N 3.27Å; L543-K552 WeakPolarHBondContact O-CG 3.35Å; A544-K552 HydrophobicContact CB-CG 4Å; K552-T554 PolarHBondContact O-N 2.85Å; K552-T554 PolarHBondContact O-OG1 3.25Å; K552-Y581 HydrophobicContact CB-CD1 4.25Å; K552-Y581 HydrophobicContact CB-CD2 3.48Å; K552-Y581 VanDerWaalsContact CB-CD2 3.48Å; K552-Y581 HydrophobicContact CB-CE1 4.36Å; K552-Y581 HydrophobicContact CB-CE2 3.6Å; K552-Y581 HydrophobicContact CB-CG 3.8Å; K552-Y581 HydrophobicContact CD-CE1 4.18Å; K552-Y581 HydrophobicContact CD-CE2 4.25Å
553	T	90.2	Very high	90.1	Very high	135 Å²	135	60.8 Å²	60.8	83%	0.828	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-54.9	127.9	177.1	-53.8	0	0	0	0	110.5	Y581	T553-Y581 WeakPolarHBondContact O-CD2 3.32Å
554	T	88.7	Confident	89.9	Confident	33 Å²	33	64 Å²	64	20%	0.202	37%	0.372	C	S	.	.			trans	-107.3	149.5	-176.7	-80.2	0	0	0	0	110.5	K552 C558 T561 C580 Y581	K552-T554 PolarHBondContact O-N 2.85Å; K552-T554 PolarHBondContact O-OG1 3.25Å; T554-C558 HydrophobicContact CG2-CB 3.18Å; T554-C558 WeakPolarHBondContact CG2-SG 3.48Å; T554-T561 HydrophobicContact CG2-CG2 3.71Å; T554-C580 HydrophobicContact CG2-CB 4.22Å; T554-Y581 PolarHBondContact OG1-N 3.23Å; T554-Y581 PolarHBondContact OG1-O 3.13Å
555	S	89.5	Confident	89.7	Confident	44 Å²	44	64.2 Å²	64.2	31%	0.308	37%	0.37	S	S	.	.			trans	-56.4	141.9	170.3	-56.1	0	0	0	0	111.8	N557 C558 T579	S555-N557 WeakPolarHBondContact CB-OD1 3.31Å; S555-N557 PolarHBondContact O-N 2.84Å; S555-C558 WeakPolarHBondContact O-CB 3.38Å; S555-C558 PolarHBondContact O-N 3.39Å; S555-C558 VanDerWaalsContact O-N 3.09Å; S555-C558 PolarHBondContact O-SG 2.91Å; S555-C558 VanDerWaalsContact O-SG 3.39Å; S555-T579 PolarHBondContact N-O 2.71Å; S555-T579 PolarHBondContact OG-N 3.06Å; S555-T579 VanDerWaalsContact OG-N 3.09Å; S555-T579 PolarHBondContact OG-O 3.44Å
556	S	85.7	Confident	89.5	Confident	131 Å²	131	65.2 Å²	65.2	92%	0.916	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-60.5	-20.3	-173.1	54.9	0	0	0	0	114.7
557	N	86.2	Confident	89.3	Confident	70 Å²	70	67.5 Å²	67.5	37%	0.374	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-90.6	2.5	-179.5	63.4	-27	0	0	0	114.5	S555 G559 S577	S555-N557 WeakPolarHBondContact CB-OD1 3.31Å; S555-N557 PolarHBondContact O-N 2.84Å; N557-G559 VanDerWaalsContact C-N 3.26Å; N557-G559 PolarHBondContact O-N 2.8Å; N557-S577 PolarHBondContact ND2-O 3.03Å
558	C	86	Confident	88.9	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.041	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-80.2	-5.8	179.3	-61.4	0	0	0	0	114.2	T554 S555 T561 C580 Y582	T554-C558 HydrophobicContact CG2-CB 3.18Å; T554-C558 WeakPolarHBondContact CG2-SG 3.48Å; S555-C558 WeakPolarHBondContact O-CB 3.38Å; S555-C558 PolarHBondContact O-N 3.39Å; S555-C558 VanDerWaalsContact O-N 3.09Å; S555-C558 PolarHBondContact O-SG 2.91Å; S555-C558 VanDerWaalsContact O-SG 3.39Å; C558-T561 HydrophobicContact CB-CG2 4.34Å; C558-C580 HydrophobicContact CB-CB 3.66Å; C558-C580 WeakPolarHBondContact CB-SG 3.26Å; C558-C580 VanDerWaalsContact SG-CA 3.53Å; C558-C580 WeakPolarHBondContact SG-CB 3.47Å; C558-C580 CovalentContact SG-SG 2.02Å; C558-C580 PolarHBondContact SG-SG 3.49Å; C558-Y582 PolarHBondContact O-OH 2.83Å; C558-Y582 VanDerWaalsContact O-OH 3.12Å
559	G	82.9	Confident	88.4	Confident	61 Å²	61	73.8 Å²	73.8	63%	0.629	45%	0.452	S	S	*	.			trans	73.4	-147.3	179.6	0	0	0	0	0	113.2	N557	N557-G559 VanDerWaalsContact C-N 3.26Å; N557-G559 PolarHBondContact O-N 2.8Å
560	Q	84.4	Confident	87.9	Confident	124 Å²	124	74.9 Å²	74.9	58%	0.579	46%	0.462	S	S	*	.			trans	-68.1	135.4	173.8	178.9	177.3	-3.2	0	0	110	D562 Y563 Y582	Q560-D562 PolarHBondContact NE2-O 3.25Å; Q560-Y563 HydrophobicContact CB-CE1 4.49Å; Q560-Y563 HydrophobicContact CG-CE1 3.97Å; Q560-Y563 HydrophobicContact CG-CE2 4.19Å; Q560-Y563 VanDerWaalsContact O-CE2 3.25Å; Q560-Y563 WeakPolarHBondContact O-CE2 3.28Å; Q560-Y563 PolarHBondContact O-OH 3.44Å; Q560-Y563 VanDerWaalsContact O-OH 3.04Å; Q560-Y582 WeakPolarHBondContact O-CE1 3.26Å
561	T	85.1	Confident	87.6	Confident	30 Å²	30	75.2 Å²	75.2	18%	0.184	48%	0.475	C	S	.	.			trans	-125.3	-19.1	-176.7	53.4	0	0	0	0	114.7	T554 C558 Y581 Y582 L583	T554-T561 HydrophobicContact CG2-CG2 3.71Å; C558-T561 HydrophobicContact CB-CG2 4.34Å; T561-Y581 WeakPolarHBondContact CB-O 3.4Å; T561-Y582 HydrophobicContact CG2-CD1 4.2Å; T561-Y582 HydrophobicContact CG2-CE1 4.1Å; T561-Y582 CarbonylContact O-C 3.58Å; T561-Y582 WeakPolarHBondContact O-CA 3.5Å; T561-L583 PolarHBondContact O-N 3.3Å
562	D	86.3	Confident	86.9	Confident	66 Å²	66	78.1 Å²	78.1	35%	0.353	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.5	174.4	-163.1	-32	0	0	0	109.1	Q560 L583 K585	Q560-D562 PolarHBondContact NE2-O 3.25Å; D562-L583 WeakPolarHBondContact CA-O 3.41Å; D562-K585 WeakPolarHBondContact OD1-CE 3.19Å; D562-K585 IonicContact OD1-NZ 2.82Å; D562-K585 PolarHBondContact OD1-NZ 2.82Å; D562-K585 IonicContact OD2-NZ 2.75Å; D562-K585 PolarHBondContact OD2-NZ 2.72Å
563	Y	87.3	Confident	86.1	Confident	37 Å²	37	81.4 Å²	81.4	15%	0.145	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.6	-177.4	-67.2	-86.5	0	0	0	109.9	Q560 Y582 L583 K585	Q560-Y563 HydrophobicContact CB-CE1 4.49Å; Q560-Y563 HydrophobicContact CG-CE1 3.97Å; Q560-Y563 HydrophobicContact CG-CE2 4.19Å; Q560-Y563 VanDerWaalsContact O-CE2 3.25Å; Q560-Y563 WeakPolarHBondContact O-CE2 3.28Å; Q560-Y563 PolarHBondContact O-OH 3.44Å; Q560-Y563 VanDerWaalsContact O-OH 3.04Å; Y563-Y582 AromaticContact CE2-CD1 3.95Å; Y563-Y582 HydrophobicContact CE2-CD1 3.95Å; Y563-Y582 HydrophobicContact CE2-CE1 4.41Å; Y563-L583 PolarHBondContact N-O 3.19Å; Y563-K585 PolarHBondContact O-N 3.03Å
564	T	89.6	Confident	85.4	Confident	94 Å²	94	79.1 Å²	79.1	58%	0.577	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.8	163.8	-57.4	0	0	0	0	107.5	K585 A587	T564-K585 CarbonylContact C-O 3.52Å; T564-K585 VanDerWaalsContact CA-O 3.32Å; T564-K585 WeakPolarHBondContact CA-O 3.38Å; T564-A587 HydrophobicContact CG2-CB 3.86Å
565	V	89.6	Confident	84.8	Confident	36 Å²	36	82.1 Å²	82.1	22%	0.218	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.1	-172.7	-60.1	0	0	0	0	110.3	V570 I584 K585 A587	V565-V570 HydrophobicContact CB-CG2 4.38Å; V565-V570 HydrophobicContact CG1-CB 4.16Å; V565-V570 HydrophobicContact CG1-CG2 3.9Å; V565-I584 HydrophobicContact CB-CG2 4.48Å; V565-I584 HydrophobicContact CG1-CG2 3.93Å; V565-I584 HydrophobicContact CG2-CG2 3.65Å; V565-K585 WeakPolarHBondContact CG2-O 3.21Å; V565-K585 PolarHBondContact N-O 3.11Å; V565-A587 PolarHBondContact O-N 3.36Å
566	G	90.9	Very high	84.2	Confident	52 Å²	52	82.8 Å²	82.8	54%	0.536	52%	0.524	S	S	.	.			trans	-83.5	-152.7	170	0	0	0	0	0	111.5	S568	G566-S568 VanDerWaalsContact C-N 3.29Å; G566-S568 PolarHBondContact O-N 2.81Å
567	T	91	Very high	84	Confident	152 Å²	152	81.6 Å²	81.6	93%	0.933	52%	0.516	S	S	*	.	S	Bend	trans	-78.9	-10.4	178.3	56	0	0	0	0	113.9
568	S	89.3	Confident	84	Confident	87 Å²	87	80 Å²	80	61%	0.608	52%	0.516	S	S	*	.	S	Bend	trans	-86.7	136.9	179	-60.1	0	0	0	0	111.2	G566 V570	G566-S568 VanDerWaalsContact C-N 3.29Å; G566-S568 PolarHBondContact O-N 2.81Å; S568-V570 PolarHBondContact O-N 3.49Å
569	P	86	Confident	84.2	Confident	128 Å²	128	83.7 Å²	83.7	83%	0.831	54%	0.539	S	S	*	.			trans	-56.2	135.4	175.5	-24.8	33.7	0	0	0	112.1
570	V	83	Confident	84.5	Confident	75 Å²	75	82.3 Å²	82.3	46%	0.455	52%	0.519	S	S	.	.			trans	-117.4	123.1	173.8	178.9	0	0	0	0	108.1	V565 S568	V565-V570 HydrophobicContact CB-CG2 4.38Å; V565-V570 HydrophobicContact CG1-CB 4.16Å; V565-V570 HydrophobicContact CG1-CG2 3.9Å; S568-V570 PolarHBondContact O-N 3.49Å
571	T	83.9	Confident	84.8	Confident	131 Å²	131	79.2 Å²	79.2	80%	0.804	50%	0.502	S	S	*	.			trans	-102.1	128.6	173.5	-55.6	0	0	0	0	108.9
572	F	77.1	Confident	84.9	Confident	86 Å²	86	80.9 Å²	80.9	38%	0.377	51%	0.506	S	S	.	.			trans	-121.2	141.6	169.9	57	-86.2	0	0	0	109.1	Y582 I584	F572-Y582 HydrophobicContact CD2-CD1 4.24Å; F572-Y582 AromaticContact CD2-CE1 3.99Å; F572-Y582 HydrophobicContact CD2-CE1 3.99Å; F572-Y582 HydrophobicContact CE2-CD1 4.04Å; F572-Y582 HydrophobicContact CE2-CD2 4.21Å; F572-Y582 HydrophobicContact CE2-CE1 4.1Å; F572-Y582 HydrophobicContact CE2-CE2 4.24Å; F572-Y582 HydrophobicContact CE2-CG 4.12Å; F572-I584 HydrophobicContact CE1-CD1 4.11Å; F572-I584 HydrophobicContact CZ-CD1 4.31Å
573	T	75.9	Confident	85	Confident	132 Å²	132	78.5 Å²	78.5	81%	0.81	49%	0.493	S	S	*	.			trans	-114.8	128.6	-177.7	-48.4	0	0	0	0	108.7
574	K	74.6	Confident	85.1	Confident	87 Å²	87	81 Å²	81	38%	0.378	51%	0.508	S	S	.	.			trans	-110.4	130.2	174.3	-179.3	-95.6	-175.7	163.5	0	109.4	G576 C580 Y582	K574-G576 WeakPolarHBondContact CE-O 3.4Å; K574-G576 PolarHBondContact NZ-O 3.35Å; K574-C580 VanDerWaalsContact CE-SG 3.57Å; K574-Y582 WeakPolarHBondContact CG-OH 3.47Å
575	S	76.4	Confident	85.1	Confident	95 Å²	95	80.3 Å²	80.3	66%	0.664	50%	0.497	S	S	*	.			trans	-120.4	153.5	172.6	56.7	0	0	0	0	110.7
576	G	76.7	Confident	85	Confident	58 Å²	58	82.9 Å²	82.9	60%	0.598	52%	0.522	S	S	*	.	S	Bend	trans	85.2	-179.4	179.1	0	0	0	0	0	115.7	K574	K574-G576 WeakPolarHBondContact CE-O 3.4Å; K574-G576 PolarHBondContact NZ-O 3.35Å
577	S	81.5	Confident	84.7	Confident	106 Å²	106	86.4 Å²	86.4	74%	0.741	55%	0.546	S	S	*	.	S	Bend	trans	-98.7	143.4	178.6	55.9	0	0	0	0	111.2	N557	N557-S577 PolarHBondContact ND2-O 3.03Å
578	G	86.5	Confident	84.4	Confident	36 Å²	36	83.2 Å²	83.2	37%	0.371	53%	0.527	S	S	.	.	S	Bend	trans	154.4	160.7	-178.2	0	0	0	0	0	112.1
579	T	90.6	Very high	84.2	Confident	85 Å²	85	82.9 Å²	82.9	52%	0.521	52%	0.523	S	S	.	.			trans	-91.5	115.6	175.8	-54.9	0	0	0	0	108.4	S555 Y581	S555-T579 PolarHBondContact N-O 2.71Å; S555-T579 PolarHBondContact OG-N 3.06Å; S555-T579 VanDerWaalsContact OG-N 3.09Å; S555-T579 PolarHBondContact OG-O 3.44Å; T579-Y581 HydrophobicContact CG2-CD2 4.3Å; T579-Y581 HydrophobicContact CG2-CE2 3.55Å
580	C	88.6	Confident	84.1	Confident	31 Å²	31	80.4 Å²	80.4	21%	0.209	51%	0.505	C	S	.	.			trans	-116.3	132.9	-177.7	-48.4	0	0	0	0	110.2	T554 C558 K574 Y582	T554-C580 HydrophobicContact CG2-CB 4.22Å; C558-C580 HydrophobicContact CB-CB 3.66Å; C558-C580 WeakPolarHBondContact CB-SG 3.26Å; C558-C580 VanDerWaalsContact SG-CA 3.53Å; C558-C580 WeakPolarHBondContact SG-CB 3.47Å; C558-C580 CovalentContact SG-SG 2.02Å; C558-C580 PolarHBondContact SG-SG 3.49Å; K574-C580 VanDerWaalsContact CE-SG 3.57Å; C580-Y582 HydrophobicContact CB-CD2 4.21Å; C580-Y582 HydrophobicContact CB-CE2 3.45Å; C580-Y582 VanDerWaalsContact CB-CE2 3.45Å
581	Y	91.2	Very high	84.1	Confident	60 Å²	60	80.8 Å²	80.8	24%	0.235	51%	0.508	C	S	.	.			trans	-119.3	109.5	174.6	-62.3	-78.1	0	0	0	109	G542 K552 T553 T554 T561 T579	G542-Y581 VanDerWaalsContact CA-CD1 3.42Å; K552-Y581 HydrophobicContact CB-CD1 4.25Å; K552-Y581 HydrophobicContact CB-CD2 3.48Å; K552-Y581 VanDerWaalsContact CB-CD2 3.48Å; K552-Y581 HydrophobicContact CB-CE1 4.36Å; K552-Y581 HydrophobicContact CB-CE2 3.6Å; K552-Y581 HydrophobicContact CB-CG 3.8Å; K552-Y581 HydrophobicContact CD-CE1 4.18Å; K552-Y581 HydrophobicContact CD-CE2 4.25Å; T553-Y581 WeakPolarHBondContact O-CD2 3.32Å; T554-Y581 PolarHBondContact OG1-N 3.23Å; T554-Y581 PolarHBondContact OG1-O 3.13Å; T561-Y581 WeakPolarHBondContact CB-O 3.4Å; T579-Y581 HydrophobicContact CG2-CD2 4.3Å; T579-Y581 HydrophobicContact CG2-CE2 3.55Å
582	Y	87.8	Confident	84.1	Confident	64 Å²	64	77.6 Å²	77.6	25%	0.251	49%	0.49	S	S	.	.			trans	-95.2	122.8	179.9	-64.3	-84.3	0	0	0	109.9	C558 Q560 T561 Y563 F572 K574 C580	C558-Y582 PolarHBondContact O-OH 2.83Å; C558-Y582 VanDerWaalsContact O-OH 3.12Å; Q560-Y582 WeakPolarHBondContact O-CE1 3.26Å; T561-Y582 HydrophobicContact CG2-CD1 4.2Å; T561-Y582 HydrophobicContact CG2-CE1 4.1Å; T561-Y582 CarbonylContact O-C 3.58Å; T561-Y582 WeakPolarHBondContact O-CA 3.5Å; Y563-Y582 AromaticContact CE2-CD1 3.95Å; Y563-Y582 HydrophobicContact CE2-CD1 3.95Å; Y563-Y582 HydrophobicContact CE2-CE1 4.41Å; F572-Y582 HydrophobicContact CD2-CD1 4.24Å; F572-Y582 AromaticContact CD2-CE1 3.99Å; F572-Y582 HydrophobicContact CD2-CE1 3.99Å; F572-Y582 HydrophobicContact CE2-CD1 4.04Å; F572-Y582 HydrophobicContact CE2-CD2 4.21Å; F572-Y582 HydrophobicContact CE2-CE1 4.1Å; F572-Y582 HydrophobicContact CE2-CE2 4.24Å; F572-Y582 HydrophobicContact CE2-CG 4.12Å; K574-Y582 WeakPolarHBondContact CG-OH 3.47Å; C580-Y582 HydrophobicContact CB-CD2 4.21Å; C580-Y582 HydrophobicContact CB-CE2 3.45Å; C580-Y582 VanDerWaalsContact CB-CE2 3.45Å
583	L	88.2	Confident	84.6	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.084	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.1	172	-178.1	59	0	0	0	108.7	L543 T561 D562 Y563 K585	L543-L583 HydrophobicContact CD2-CD1 3.85Å; T561-L583 PolarHBondContact O-N 3.3Å; D562-L583 WeakPolarHBondContact CA-O 3.41Å; Y563-L583 PolarHBondContact N-O 3.19Å; L583-K585 HydrophobicContact CG-CG 4.31Å
584	I	88.6	Confident	85.2	Confident	89 Å²	89	73.1 Å²	73.1	46%	0.456	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.5	179.6	-55.3	172.7	0	0	0	108.1	V565 F572	V565-I584 HydrophobicContact CB-CG2 4.48Å; V565-I584 HydrophobicContact CG1-CG2 3.93Å; V565-I584 HydrophobicContact CG2-CG2 3.65Å; F572-I584 HydrophobicContact CE1-CD1 4.11Å; F572-I584 HydrophobicContact CZ-CD1 4.31Å
585	K	88.8	Confident	86.1	Confident	80 Å²	80	72.1 Å²	72.1	35%	0.348	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.8	179	-58.9	170.8	-167.6	146	0	109.1	D562 Y563 T564 V565 L583	D562-K585 WeakPolarHBondContact OD1-CE 3.19Å; D562-K585 IonicContact OD1-NZ 2.82Å; D562-K585 PolarHBondContact OD1-NZ 2.82Å; D562-K585 IonicContact OD2-NZ 2.75Å; D562-K585 PolarHBondContact OD2-NZ 2.72Å; Y563-K585 PolarHBondContact O-N 3.03Å; T564-K585 CarbonylContact C-O 3.52Å; T564-K585 VanDerWaalsContact CA-O 3.32Å; T564-K585 WeakPolarHBondContact CA-O 3.38Å; V565-K585 WeakPolarHBondContact CG2-O 3.21Å; V565-K585 PolarHBondContact N-O 3.11Å; L583-K585 HydrophobicContact CG-CG 4.31Å
586	A	88.4	Confident	86.9	Confident	91 Å²	91	70.2 Å²	70.2	75%	0.752	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	139	166.5	0	0	0	0	0	109.5
587	A	85.5	Confident	87.8	Confident	126 Å²	126	71.3 Å²	71.3	100%	1.041	46%	0.456	S	S	*	.			trans	-67.9	0	177.5	0	0	0	0	0	113.6	T564 V565	T564-A587 HydrophobicContact CG2-CB 3.86Å; V565-A587 PolarHBondContact O-N 3.36Å

Retrieved 587 of 587 residues in 278.3 ms (Link to these results)

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