A0A3Q0KNT0_SCHMA Loading...

Putative fmrfamide-gated Na+ channel

AlphaFold DB , UniProt , Accession A0A3Q0KNT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 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	29.6	Very low	29.5	Very low	238 Å²	238	162.7 Å²	162.7	100%	1.172	86%	0.856	S	S	*	*				0	169.7	0	-72.6	-174.8	176.5	0	0	108.9
2	I	32.9	Very low	29.5	Very low	168 Å²	168	155.5 Å²	155.5	86%	0.862	85%	0.85	S	S	*	*			trans	73.8	117.2	-162.2	-51.5	174.1	0	0	0	111.5
3	Y	31.3	Very low	29.4	Very low	218 Å²	218	160.3 Å²	160.3	86%	0.855	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-100.1	142.4	173.3	-78.1	-100.9	0	0	0	109.9
4	P	34.1	Very low	29.4	Very low	120 Å²	120	159.1 Å²	159.1	78%	0.779	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-87.8	126.8	157.8	33.1	-28.3	0	0	0	110.3
5	V	31	Very low	29.7	Very low	129 Å²	129	162.1 Å²	162.1	78%	0.782	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-74.9	131	173.1	175.5	0	0	0	0	109.6	E7	V5-E7 HydrophobicContact CG1-CG 4.12Å
6	K	25.8	Very low	30	Very low	193 Å²	193	158.5 Å²	158.5	84%	0.839	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-95.8	118.4	168	-74.4	-178.7	175.8	179.6	0	109.5
7	E	31.8	Very low	30.5	Very low	176 Å²	176	158.1 Å²	158.1	82%	0.822	85%	0.849	S	S	*	*			trans	-130.4	89.3	162.1	-73.2	-163.7	138	0	0	111.8	V5	V5-E7 HydrophobicContact CG1-CG 4.12Å
8	N	29.5	Very low	30.7	Very low	138 Å²	138	158.2 Å²	158.2	74%	0.738	84%	0.84	S	S	*	*			trans	23.2	110.3	137.8	-54.4	-20.4	0	0	0	118.6
9	C	23.7	Very low	30.8	Very low	137 Å²	137	154.7 Å²	154.7	93%	0.926	83%	0.828	S	S	*	*			trans	-72.6	120.7	146.8	-60.6	0	0	0	0	109.2
10	L	29	Very low	31.5	Very low	154 Å²	154	155.3 Å²	155.3	81%	0.806	83%	0.829	S	S	*	*			trans	-144.7	138.1	166.9	-108	168.3	0	0	0	109.9
11	S	25.9	Very low	32.1	Very low	119 Å²	119	156.2 Å²	156.2	83%	0.832	83%	0.829	S	S	*	*			trans	-79.7	126.4	-174.9	53.5	0	0	0	0	112.3
12	G	29.3	Very low	32.6	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	81%	0.805	S	S	*	*			trans	-132.5	128.9	168.6	0	0	0	0	0	110.4
13	Y	28.2	Very low	32.8	Very low	218 Å²	218	148.1 Å²	148.1	86%	0.855	80%	0.799	S	S	*	*			trans	-89.8	162.7	179.3	-114.9	-103.3	0	0	0	111.6
14	N	29.2	Very low	33.2	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	80%	0.8	S	S	*	*			trans	68.4	107.4	164.6	-57.2	-30.5	0	0	0	118.6
15	E	34.8	Very low	33	Very low	203 Å²	203	146.3 Å²	146.3	95%	0.949	80%	0.799	S	S	*	*				-152.5	147.7	118.4	-120.2	175.8	-159.4	0	0	110.3
16	S	34.4	Very low	33.2	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	81%	0.807	S	S	*	*			trans	-122.6	116.7	-167.7	56.3	0	0	0	0	113.3
17	V	37.5	Very low	33.5	Very low	152 Å²	152	148.9 Å²	148.9	92%	0.921	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90.9	120.4	178.3	-177.9	0	0	0	0	109.9
18	K	34.4	Very low	33.5	Very low	160 Å²	160	148.8 Å²	148.8	70%	0.696	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.9	141.6	-177.2	-67.2	-178.6	178.2	178.6	0	112.7
19	C	32.3	Very low	33.6	Very low	91 Å²	91	147 Å²	147	62%	0.615	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.8	132.8	167.5	-168.9	0	0	0	0	110.6	H21	C19-H21 VanDerWaalsContact C-N 3.28Å; C19-H21 PolarHBondContact O-N 3.47Å
20	I	44.5	Very low	33.9	Very low	166 Å²	166	145.7 Å²	145.7	85%	0.851	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-14	-170.2	-71.3	172	0	0	0	113.7
21	H	44	Very low	34	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.815	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-11.2	-174.9	-93.1	-72.7	0	0	0	116.6	C19	C19-H21 VanDerWaalsContact C-N 3.28Å; C19-H21 PolarHBondContact O-N 3.47Å
22	C	41.3	Very low	34.3	Very low	100 Å²	100	146.4 Å²	146.4	68%	0.676	80%	0.798	S	S	*	*			trans	-145.3	115	176.6	-79.6	0	0	0	0	108.8	Q24	C22-Q24 PolarHBondContact O-N 3.06Å
23	N	36.2	Very low	34.4	Very low	136 Å²	136	148.8 Å²	148.8	73%	0.727	80%	0.798	S	S	*	*			trans	-101.7	50.7	-166.6	-169	46.1	0	0	0	112.4
24	Q	39.8	Very low	34.5	Very low	191 Å²	191	144.5 Å²	144.5	89%	0.893	80%	0.798	S	S	*	*			trans	-150.7	150.6	177	-109.7	166.7	-18.9	0	0	110	C22	C22-Q24 PolarHBondContact O-N 3.06Å
25	S	30.9	Very low	34.9	Very low	108 Å²	108	143 Å²	143	76%	0.755	80%	0.799	S	S	*	*			trans	-142.2	120.7	-174.2	54.8	0	0	0	0	110
26	E	34.5	Very low	34.9	Very low	201 Å²	201	139 Å²	139	94%	0.939	79%	0.789	S	S	*	*			trans	-161	177.5	155.9	-128	151.5	-139.5	0	0	112.5
27	H	32	Very low	34.9	Very low	175 Å²	175	144.8 Å²	144.8	81%	0.81	80%	0.795	S	S	*	*			trans	-81.5	-177.3	-174.7	-100.6	-130.8	0	0	0	113.2
28	E	32.4	Very low	34.9	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	78%	0.783	S	S	*	*			trans	74	108.2	159.9	-76.1	170.5	-165.2	0	0	119.2
29	S	32	Very low	35.1	Very low	100 Å²	100	145 Å²	145	70%	0.699	80%	0.795	S	S	*	*			trans	18.2	127.4	136.9	48.6	0	0	0	0	120.7
30	S	30.2	Very low	35.5	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	80%	0.802	S	S	*	*			trans	66.8	108.2	149.2	64.2	0	0	0	0	119
31	C	29.8	Very low	35	Very low	131 Å²	131	147.3 Å²	147.3	89%	0.885	80%	0.798	S	S	*	*				-160.1	158.6	108.1	-98.8	0	0	0	0	112
32	I	32.5	Very low	34.5	Very low	157 Å²	157	147.5 Å²	147.5	81%	0.805	80%	0.804	S	S	*	*			trans	-118.8	147.4	171.3	-59.7	174	0	0	0	107.4
33	T	30.9	Very low	34.3	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	81%	0.81	S	S	*	*			trans	108.4	149.7	167.3	70.2	0	0	0	0	117.5
34	C	30.6	Very low	34.5	Very low	129 Å²	129	149 Å²	149	87%	0.872	81%	0.813	S	S	*	*			trans	68	146.5	173.9	-66.8	0	0	0	0	117
35	S	37.5	Very low	34.4	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	81%	0.808	S	S	*	*			cis	-135	173	2.3	68.2	0	0	0	0	112.9
36	T	34.4	Very low	34.4	Very low	120 Å²	120	148.6 Å²	148.6	74%	0.736	82%	0.815	S	S	*	*			trans	-106.5	162.9	-178.6	57.2	0	0	0	0	111.5
37	R	35.5	Very low	34.6	Very low	226 Å²	226	146 Å²	146	85%	0.853	81%	0.807	S	S	*	*			trans	75.5	149.5	172.9	-54.8	178.5	176.5	177.1	-1.6	114.9
38	T	36.3	Very low	34.5	Very low	111 Å²	111	144.4 Å²	144.4	68%	0.681	81%	0.805	S	S	*	*			cis	-165.8	139.2	-18.3	26.4	0	0	0	0	107.3
39	H	39.1	Very low	34.5	Very low	204 Å²	204	145.6 Å²	145.6	94%	0.944	81%	0.808	S	S	*	*			trans	-146.9	154.6	148.4	-101.3	-77	0	0	0	109.8
40	Q	40.3	Very low	34.6	Very low	162 Å²	162	147.7 Å²	147.7	76%	0.757	81%	0.809	S	S	*	*			trans	-110.5	150.2	-158.8	-68.8	171.5	-70.1	0	0	113.9
41	N	35.1	Very low	34.8	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	81%	0.808	S	S	*	*			trans	52.9	104.3	145.2	-57.1	-4.1	0	0	0	119.4
42	L	33.5	Very low	35	Very low	179 Å²	179	148 Å²	148	94%	0.937	81%	0.807	S	S	*	*			trans	-137.5	139.7	131.4	-150.2	75.6	0	0	0	108.9
43	S	36.7	Very low	35.2	Very low	114 Å²	114	152 Å²	152	80%	0.797	81%	0.812	S	S	*	*			trans	-119	121.3	-165.3	56	0	0	0	0	113.2
44	I	40.8	Very low	35.4	Very low	155 Å²	155	157 Å²	157	80%	0.795	82%	0.817	S	S	*	*			trans	-134.8	139	169.7	-64.4	-176.2	0	0	0	106.3
45	P	36.9	Very low	35.6	Very low	122 Å²	122	158.9 Å²	158.9	79%	0.792	82%	0.819	S	S	*	*			trans	-79.3	159.2	-153.6	29.8	-36.7	0	0	0	115.7
46	N	32.3	Very low	35.9	Very low	167 Å²	167	161.8 Å²	161.8	89%	0.893	82%	0.82	S	S	*	*			trans	-67.6	130.5	174	-69.6	-37.6	0	0	0	111.5
47	D	36.9	Very low	36.5	Very low	146 Å²	146	162.2 Å²	162.2	78%	0.781	82%	0.824	S	S	*	*			trans	-135.5	146.1	153.2	-135.9	-34	0	0	0	112.3
48	N	31.8	Very low	37.4	Very low	143 Å²	143	157.2 Å²	157.2	77%	0.765	81%	0.809	S	S	*	*			trans	-61.2	132.5	-159.8	-62.1	-93.2	0	0	0	115.7
49	F	30.7	Very low	38.8	Very low	199 Å²	199	153.5 Å²	153.5	87%	0.873	79%	0.792	S	S	*	*			trans	-157.1	155	141.7	-135.8	-128	0	0	0	116.6
50	I	34.9	Very low	40.2	Very low	144 Å²	144	148.2 Å²	148.2	74%	0.738	77%	0.767	S	S	*	*			trans	59	92.1	173.3	-41.3	-170.8	0	0	0	117.2
51	S	34.3	Very low	41.7	Very low	106 Å²	106	146.3 Å²	146.3	74%	0.741	76%	0.761	S	S	*	*			trans	-69.4	138.9	161.7	53.1	0	0	0	0	112.6	R53	S51-R53 PolarHBondContact O-N 3.1Å; S51-R53 VanDerWaalsContact O-N 3.1Å
52	T	34.8	Very low	43.5	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	74%	0.742	S	S	*	*			trans	-69.7	102.2	171.7	46.5	0	0	0	0	111.1
53	R	35	Very low	45.3	Very low	242 Å²	242	138.2 Å²	138.2	91%	0.913	72%	0.716	S	S	*	*			trans	-75.4	140.4	174.4	-167.7	175.7	-78	-160.8	-1.7	110.6	S51	S51-R53 PolarHBondContact O-N 3.1Å; S51-R53 VanDerWaalsContact O-N 3.1Å
54	R	35.9	Very low	47.2	Very low	231 Å²	231	134.7 Å²	134.7	87%	0.872	69%	0.686	S	S	*	*			trans	-77.2	159.6	-163.4	-57.5	169.9	-153.6	135.2	7.3	113.4	E56	R54-E56 PolarHBondContact O-N 3.06Å
55	N	34.7	Very low	49	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	66%	0.657	S	S	*	*			trans	-66.3	114	177.2	-63.2	-45	0	0	0	112.5
56	E	45	Very low	50.7	Low	172 Å²	172	125.3 Å²	125.3	80%	0.804	64%	0.635	S	S	*	*			trans	-91.5	148.3	159.8	-71.6	-173.7	131	0	0	110.7	R54 K58	R54-E56 PolarHBondContact O-N 3.06Å; E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.46Å
57	P	46.8	Very low	52.8	Low	129 Å²	129	121.9 Å²	121.9	84%	0.838	62%	0.616	S	S	*	*			trans	-78.2	81.5	-177.1	32.9	-35.4	0	0	0	111.3	G59	P57-G59 PolarHBondContact O-N 3.04Å
58	K	52.9	Low	54.9	Low	122 Å²	122	115 Å²	115	53%	0.53	58%	0.579	S	S	.	*			trans	-43.2	136.1	175.1	-64.5	-175	-179.4	-178	0	112	E56 E62	E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.46Å; K58-E62 WeakPolarHBondContact CA-OE2 3.41Å; K58-E62 HydrophobicContact CB-CB 4.38Å
59	G	66.9	Low	57.4	Low	32 Å²	32	109.7 Å²	109.7	33%	0.33	55%	0.553	S	S	.	*			trans	-61.3	153.8	179.6	0	0	0	0	0	112.4	P57 L61 E62 L63	P57-G59 PolarHBondContact O-N 3.04Å; G59-L61 PolarHBondContact O-N 3.32Å; G59-L61 VanDerWaalsContact O-N 3.16Å; G59-E62 PolarHBondContact N-OE2 2.98Å; G59-E62 WeakPolarHBondContact O-CB 3.43Å; G59-E62 PolarHBondContact O-N 3.35Å; G59-L63 PolarHBondContact O-N 3.28Å
60	K	68.3	Low	60	Low	94 Å²	94	101.7 Å²	101.7	41%	0.409	52%	0.519	S	S	.	.	H	α-helix	trans	-52.7	-41.1	-179.4	-65.2	-164.1	-173.7	-174.4	0	111.9	F64 L582 N586	K60-F64 PolarHBondContact O-N 3.42Å; K60-L582 HydrophobicContact CD-CD2 3.65Å; K60-L582 PolarHBondContact NZ-O 3.25Å; K60-N586 PolarHBondContact NZ-OD1 3.16Å
61	L	72.3	Confident	62.4	Low	122 Å²	122	101 Å²	101	64%	0.639	51%	0.507	S	S	*	.	H	α-helix	trans	-69.9	-39.4	177.6	-170	72.8	0	0	0	112.5	G59 L63 F64 C65	G59-L61 PolarHBondContact O-N 3.32Å; G59-L61 VanDerWaalsContact O-N 3.16Å; L61-L63 VanDerWaalsContact C-N 3.35Å; L61-L63 PolarHBondContact O-N 3.25Å; L61-F64 PolarHBondContact O-N 3.39Å; L61-C65 PolarHBondContact O-N 3Å; L61-C65 PolarHBondContact O-SG 3.35Å
62	E	71.2	Confident	64.7	Low	81 Å²	81	96.3 Å²	96.3	38%	0.379	48%	0.475	S	S	.	.	H	α-helix	trans	-65.9	-39.5	-179.8	-53.2	-177.4	141.4	0	0	111.5	K58 G59 F64 C65 V66 Y77	K58-E62 WeakPolarHBondContact CA-OE2 3.41Å; K58-E62 HydrophobicContact CB-CB 4.38Å; G59-E62 PolarHBondContact N-OE2 2.98Å; G59-E62 WeakPolarHBondContact O-CB 3.43Å; G59-E62 PolarHBondContact O-N 3.35Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-C65 PolarHBondContact O-N 3.13Å; E62-V66 WeakPolarHBondContact O-CB 3.26Å; E62-V66 VanDerWaalsContact O-CG2 3.25Å; E62-V66 WeakPolarHBondContact O-CG2 3.48Å; E62-V66 PolarHBondContact O-N 3.06Å; E62-Y77 HydrophobicContact CB-CE2 3.83Å; E62-Y77 HydrophobicContact CG-CE2 3.96Å
63	L	72.5	Confident	67.1	Low	73 Å²	73	90.9 Å²	90.9	38%	0.382	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174.1	-175.2	62.6	0	0	0	110.9	G59 L61 V66 L67 L581	G59-L63 PolarHBondContact O-N 3.28Å; L61-L63 VanDerWaalsContact C-N 3.35Å; L61-L63 PolarHBondContact O-N 3.25Å; L63-V66 PolarHBondContact O-N 3.27Å; L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CG 3.39Å; L63-L67 PolarHBondContact O-N 3.28Å; L63-L581 HydrophobicContact CD2-CD1 4.46Å
64	F	76.9	Confident	69.4	Low	40 Å²	40	83.7 Å²	83.7	18%	0.175	42%	0.419	C	S	.	.	H	α-helix	trans	-65	-46.2	176.2	-173.3	-103.9	0	0	0	112.5	K60 L61 E62 V66 L67 S68 F571 F578	K60-F64 PolarHBondContact O-N 3.42Å; L61-F64 PolarHBondContact O-N 3.39Å; E62-F64 VanDerWaalsContact C-N 3.33Å; F64-V66 PolarHBondContact O-N 3.49Å; F64-L67 PolarHBondContact O-N 3.33Å; F64-S68 VanDerWaalsContact O-CB 3.29Å; F64-S68 WeakPolarHBondContact O-CB 3.32Å; F64-S68 PolarHBondContact O-N 3.18Å; F64-F571 AromaticContact CZ-CE2 3.93Å; F64-F571 HydrophobicContact CZ-CE2 3.93Å; F64-F571 HydrophobicContact CZ-CZ 4.27Å; F64-F578 HydrophobicContact CB-CD2 3.81Å; F64-F578 HydrophobicContact CB-CE2 3.69Å; F64-F578 HydrophobicContact CB-CZ 4.33Å; F64-F578 HydrophobicContact CD2-CB 3.76Å; F64-F578 HydrophobicContact CD2-CD1 4.05Å; F64-F578 AromaticContact CD2-CD2 3.63Å; F64-F578 HydrophobicContact CD2-CD2 3.63Å; F64-F578 HydrophobicContact CD2-CE2 4.19Å; F64-F578 AromaticContact CD2-CG 3.54Å; F64-F578 HydrophobicContact CD2-CG 3.54Å; F64-F578 HydrophobicContact CE2-CB 3.95Å; F64-F578 HydrophobicContact CE2-CD1 4.17Å; F64-F578 HydrophobicContact CE2-CD2 4.49Å; F64-F578 AromaticContact CE2-CG 3.97Å; F64-F578 HydrophobicContact CE2-CG 3.97Å; F64-F578 AromaticContact CG-CD2 3.93Å; F64-F578 HydrophobicContact CG-CD2 3.93Å; F64-F578 HydrophobicContact CG-CE2 4.02Å; F64-F578 HydrophobicContact CG-CG 4.19Å; F64-F578 HydrophobicContact CG-CZ 4.35Å
65	C	77	Confident	71.7	Confident	27 Å²	27	80.3 Å²	80.3	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-65.6	-20.7	178.1	-67.5	0	0	0	0	114.1	L61 E62 V73 Q74 Y77	L61-C65 PolarHBondContact O-N 3Å; L61-C65 PolarHBondContact O-SG 3.35Å; E62-C65 PolarHBondContact O-N 3.13Å; C65-V73 HydrophobicContact CB-CG1 3.91Å; C65-Q74 WeakPolarHBondContact O-CA 3.36Å; C65-Y77 HydrophobicContact CB-CD2 4.42Å; C65-Y77 HydrophobicContact CB-CG 4.44Å
66	V	73.8	Confident	74.1	Confident	53 Å²	53	74.1 Å²	74.1	32%	0.321	37%	0.373	S	S	.	.	H	α-helix	trans	-86.5	-36.7	173.5	168	0	0	0	0	112	E62 L63 F64 Y77	E62-V66 WeakPolarHBondContact O-CB 3.26Å; E62-V66 VanDerWaalsContact O-CG2 3.25Å; E62-V66 WeakPolarHBondContact O-CG2 3.48Å; E62-V66 PolarHBondContact O-N 3.06Å; L63-V66 PolarHBondContact O-N 3.27Å; F64-V66 PolarHBondContact O-N 3.49Å; V66-Y77 HydrophobicContact CG2-CD1 3.57Å; V66-Y77 HydrophobicContact CG2-CE1 3.4Å; V66-Y77 HydrophobicContact CG2-CG 4.37Å
67	L	75.6	Confident	75.9	Confident	94 Å²	94	70.1 Å²	70.1	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-86.6	-28.8	-176.4	-69.4	175.7	0	0	0	114.2	L63 F64	L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CG 3.39Å; L63-L67 PolarHBondContact O-N 3.28Å; F64-L67 PolarHBondContact O-N 3.33Å
68	S	82.2	Confident	77.5	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.007	34%	0.338	C	S	.	.			trans	-67.3	142.5	-166.3	-175.2	0	0	0	0	114.5	F64 I70 Q74 E574	F64-S68 VanDerWaalsContact O-CB 3.29Å; F64-S68 WeakPolarHBondContact O-CB 3.32Å; F64-S68 PolarHBondContact O-N 3.18Å; S68-I70 PolarHBondContact O-N 3.26Å; S68-I70 PolarHBondContact OG-N 3.44Å; S68-Q74 PolarHBondContact O-NE2 3.23Å; S68-E574 WeakPolarHBondContact CA-OE2 3.33Å; S68-E574 PolarHBondContact OG-OE2 2.97Å; S68-E574 VanDerWaalsContact OG-OE2 3.12Å
69	S	83.4	Confident	78.8	Confident	33 Å²	33	62.6 Å²	62.6	23%	0.231	32%	0.317	C	S	.	.			trans	-65.2	-12	174.2	88.2	0	0	0	0	114.5	R71 G566 E574	S69-R71 PolarHBondContact O-N 3.46Å; S69-R71 VanDerWaalsContact O-N 3.08Å; S69-G566 PolarHBondContact OG-O 3.17Å; S69-E574 VanDerWaalsContact CB-OE1 3.31Å; S69-E574 WeakPolarHBondContact CB-OE1 3.31Å; S69-E574 VanDerWaalsContact N-CD 3.33Å; S69-E574 PolarHBondContact N-OE1 2.55Å; S69-E574 PolarHBondContact N-OE2 3.21Å
70	I	85.3	Confident	79.3	Confident	30 Å²	30	70 Å²	70	15%	0.154	34%	0.343	C	S	.	.			trans	-62	112.1	-176.8	-67.5	174.5	0	0	0	110.1	S68 V73 I565 L567 F571	S68-I70 PolarHBondContact O-N 3.26Å; S68-I70 PolarHBondContact OG-N 3.44Å; I70-V73 HydrophobicContact CB-CB 4.25Å; I70-V73 HydrophobicContact CB-CG2 4.08Å; I70-V73 HydrophobicContact CG2-CB 4Å; I70-V73 HydrophobicContact CG2-CG2 3.41Å; I70-V73 VanDerWaalsContact CG2-CG2 3.41Å; I70-V73 PolarHBondContact O-N 3.5Å; I70-I565 HydrophobicContact CB-CG2 4.36Å; I70-I565 HydrophobicContact CG1-CG2 4.27Å; I70-I565 HydrophobicContact CG2-CG2 3.72Å; I70-L567 HydrophobicContact CD1-CD2 4.37Å; I70-L567 HydrophobicContact CG1-CD2 3.8Å; I70-L567 HydrophobicContact CG1-CG 4.49Å; I70-F571 HydrophobicContact CD1-CD2 4.31Å; I70-F571 HydrophobicContact CD1-CE2 3.55Å; I70-F571 HydrophobicContact CD1-CZ 3.96Å; I70-F571 HydrophobicContact CG1-CD2 4.18Å; I70-F571 HydrophobicContact CG1-CE2 3.91Å
71	R	84.4	Confident	80.2	Confident	130 Å²	130	70.1 Å²	70.1	49%	0.491	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	140.4	176.2	-66.6	179	-175.6	147.6	10	109.8	S69 V73 S562 L563 I565	S69-R71 PolarHBondContact O-N 3.46Å; S69-R71 VanDerWaalsContact O-N 3.08Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 3.21Å; R71-S562 VanDerWaalsContact CZ-O 3.29Å; R71-S562 PolarHBondContact NH1-O 3.23Å; R71-S562 PolarHBondContact NH2-O 3.47Å; R71-L563 PolarHBondContact NH1-O 3.4Å; R71-I565 VanDerWaalsContact CB-O 3.25Å; R71-I565 WeakPolarHBondContact CB-O 3.26Å; R71-I565 WeakPolarHBondContact CG-O 3.32Å; R71-I565 PolarHBondContact N-O 3.02Å
72	G	84.2	Confident	80.8	Confident	7 Å²	7	68.8 Å²	68.8	7%	0.072	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-40.4	-175.8	0	0	0	0	0	114.3	Q74 R75 I76	G72-Q74 PolarHBondContact O-N 2.92Å; G72-R75 CarbonylContact O-C 3.51Å; G72-R75 WeakPolarHBondContact O-CA 3.31Å; G72-R75 WeakPolarHBondContact O-CB 3.27Å; G72-R75 PolarHBondContact O-N 3.38Å; G72-I76 WeakPolarHBondContact O-CG1 3.25Å; G72-I76 PolarHBondContact O-N 3.21Å
73	V	85.1	Confident	81.6	Confident	28 Å²	28	71.9 Å²	71.9	17%	0.17	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-45.2	-177.2	164.6	0	0	0	0	112.4	C65 I70 R71 R75 I76 Y77	C65-V73 HydrophobicContact CB-CG1 3.91Å; I70-V73 HydrophobicContact CB-CB 4.25Å; I70-V73 HydrophobicContact CB-CG2 4.08Å; I70-V73 HydrophobicContact CG2-CB 4Å; I70-V73 HydrophobicContact CG2-CG2 3.41Å; I70-V73 VanDerWaalsContact CG2-CG2 3.41Å; I70-V73 PolarHBondContact O-N 3.5Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 3.21Å; V73-R75 PolarHBondContact O-N 3.47Å; V73-I76 PolarHBondContact O-N 3.31Å; V73-Y77 PolarHBondContact O-N 3.14Å
74	Q	82.8	Confident	82.4	Confident	91 Å²	91	71.8 Å²	71.8	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-32.6	174	-60.6	178.8	3.6	0	0	112.7	C65 S68 G72 S78	C65-Q74 WeakPolarHBondContact O-CA 3.36Å; S68-Q74 PolarHBondContact O-NE2 3.23Å; G72-Q74 PolarHBondContact O-N 2.92Å; Q74-S78 VanDerWaalsContact O-CB 3.24Å; Q74-S78 WeakPolarHBondContact O-CB 3.44Å; Q74-S78 PolarHBondContact O-N 3.02Å; Q74-S78 PolarHBondContact O-OG 2.76Å
75	R	83.9	Confident	83	Confident	159 Å²	159	74.9 Å²	74.9	60%	0.6	37%	0.368	S	S	*	.	H	α-helix	trans	-81	-34.1	177.7	-62.3	-65.4	-173.9	174.4	0.3	112.5	G72 V73 Y77 S78 S79 W88	G72-R75 CarbonylContact O-C 3.51Å; G72-R75 WeakPolarHBondContact O-CA 3.31Å; G72-R75 WeakPolarHBondContact O-CB 3.27Å; G72-R75 PolarHBondContact O-N 3.38Å; V73-R75 PolarHBondContact O-N 3.47Å; R75-Y77 VanDerWaalsContact C-N 3.32Å; R75-S78 PolarHBondContact O-N 2.99Å; R75-S79 WeakPolarHBondContact O-CB 3.37Å; R75-S79 PolarHBondContact O-N 2.92Å; R75-S79 PolarHBondContact O-OG 3.26Å; R75-W88 HydrophobicContact CB-CD2 3.79Å; R75-W88 HydrophobicContact CB-CE3 4.41Å; R75-W88 HydrophobicContact CB-CG 3.89Å; R75-W88 HydrophobicContact CB-CZ2 4.35Å; R75-W88 HydrophobicContact CG-CD2 4.31Å; R75-W88 HydrophobicContact CG-CH2 4.43Å; R75-W88 HydrophobicContact CG-CZ2 4.01Å
76	I	86.1	Confident	83.6	Confident	38 Å²	38	78.2 Å²	78.2	20%	0.195	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-46.2	171.2	-64.7	169.3	0	0	0	109.4	G72 V73 S79 R85 W88 I89 V92	G72-I76 WeakPolarHBondContact O-CG1 3.25Å; G72-I76 PolarHBondContact O-N 3.21Å; V73-I76 PolarHBondContact O-N 3.31Å; I76-S79 PolarHBondContact O-OG 2.93Å; I76-S79 VanDerWaalsContact O-OG 3.09Å; I76-R85 HydrophobicContact CG2-CG 4.01Å; I76-R85 PolarHBondContact O-NE 3.18Å; I76-W88 HydrophobicContact CD1-CB 4.5Å; I76-W88 HydrophobicContact CG1-CB 3.64Å; I76-I89 HydrophobicContact CD1-CG1 3.82Å; I76-I89 HydrophobicContact CG1-CG1 3.99Å; I76-I89 HydrophobicContact CG2-CD1 4.21Å; I76-I89 HydrophobicContact CG2-CG1 3.88Å; I76-V92 HydrophobicContact CD1-CB 4.43Å; I76-V92 HydrophobicContact CD1-CG2 4.03Å
77	Y	82.2	Confident	84.4	Confident	88 Å²	88	80 Å²	80	35%	0.345	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-47.9	175.1	-179.1	-98.5	0	0	0	112.8	E62 C65 V66 V73 R75 S79	E62-Y77 HydrophobicContact CB-CE2 3.83Å; E62-Y77 HydrophobicContact CG-CE2 3.96Å; C65-Y77 HydrophobicContact CB-CD2 4.42Å; C65-Y77 HydrophobicContact CB-CG 4.44Å; V66-Y77 HydrophobicContact CG2-CD1 3.57Å; V66-Y77 HydrophobicContact CG2-CE1 3.4Å; V66-Y77 HydrophobicContact CG2-CG 4.37Å; V73-Y77 PolarHBondContact O-N 3.14Å; R75-Y77 VanDerWaalsContact C-N 3.32Å; Y77-S79 PolarHBondContact O-N 3.1Å
78	S	80.7	Confident	85.1	Confident	81 Å²	81	79.2 Å²	79.2	57%	0.566	38%	0.381	S	S	*	.	H	α-helix	trans	-76.7	-15.7	-173.4	-55.1	0	0	0	0	115	Q74 R75 Q80	Q74-S78 VanDerWaalsContact O-CB 3.24Å; Q74-S78 WeakPolarHBondContact O-CB 3.44Å; Q74-S78 PolarHBondContact O-N 3.02Å; Q74-S78 PolarHBondContact O-OG 2.76Å; R75-S78 PolarHBondContact O-N 2.99Å; S78-Q80 PolarHBondContact O-N 3.16Å
79	S	80.5	Confident	85.5	Confident	13 Å²	13	82.3 Å²	82.3	9%	0.091	40%	0.396	C	S	.	.			trans	-76.8	119.5	-176.8	50.2	0	0	0	0	111.9	R75 I76 Y77 R85	R75-S79 WeakPolarHBondContact O-CB 3.37Å; R75-S79 PolarHBondContact O-N 2.92Å; R75-S79 PolarHBondContact O-OG 3.26Å; I76-S79 PolarHBondContact O-OG 2.93Å; I76-S79 VanDerWaalsContact O-OG 3.09Å; Y77-S79 PolarHBondContact O-N 3.1Å; S79-R85 PolarHBondContact O-NE 3.4Å; S79-R85 PolarHBondContact O-NH2 3.18Å; S79-R85 WeakPolarHBondContact OG-CA 3.26Å; S79-R85 WeakPolarHBondContact OG-CB 3.46Å
80	Q	77	Confident	85.9	Confident	186 Å²	186	85.2 Å²	85.2	87%	0.869	41%	0.409	S	S	*	.			trans	-80.7	-28.5	173.8	-64.2	178.4	-2.3	0	0	112.4	S78	S78-Q80 PolarHBondContact O-N 3.16Å
81	I	87.7	Confident	86.2	Confident	98 Å²	98	87.5 Å²	87.5	50%	0.503	42%	0.418	S	S	.	.	S	Bend	trans	-85.5	124.5	-177	-62.5	170.6	0	0	0	109.7	F83 I84 R85	I81-F83 HydrophobicContact CG2-CB 4.26Å; I81-F83 PolarHBondContact O-N 2.88Å; I81-I84 HydrophobicContact CB-CB 4.33Å; I81-I84 HydrophobicContact CB-CD1 4.14Å; I81-I84 HydrophobicContact CB-CG1 4.19Å; I81-I84 HydrophobicContact CD1-CD1 3.93Å; I81-I84 HydrophobicContact CG2-CD1 4.36Å; I81-I84 HydrophobicContact CG2-CG1 4.09Å; I81-I84 PolarHBondContact O-N 3.44Å; I81-R85 PolarHBondContact O-N 2.83Å; I81-R85 VanDerWaalsContact O-N 3.07Å
82	P	84.7	Confident	86.5	Confident	93 Å²	93	82.5 Å²	82.5	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-64.9	-36.6	-174.2	24.6	-34	0	0	0	113.1	I84 R85 I86	P82-I84 PolarHBondContact O-N 3.36Å; P82-R85 WeakPolarHBondContact O-CB 3.29Å; P82-R85 PolarHBondContact O-N 3.48Å; P82-I86 VanDerWaalsContact O-CG1 3.32Å; P82-I86 WeakPolarHBondContact O-CG1 3.32Å; P82-I86 PolarHBondContact O-N 2.88Å
83	F	88	Confident	87	Confident	147 Å²	147	86.2 Å²	86.2	65%	0.645	42%	0.419	S	S	*	.	H	α-helix	trans	-59.1	-46.3	175.3	175.2	-101.5	0	0	0	112.3	I81 R85 I86 L87	I81-F83 HydrophobicContact CG2-CB 4.26Å; I81-F83 PolarHBondContact O-N 2.88Å; F83-R85 VanDerWaalsContact C-N 3.31Å; F83-R85 PolarHBondContact O-N 3.45Å; F83-I86 PolarHBondContact O-N 2.94Å; F83-L87 HydrophobicContact CE1-CD1 4.39Å; F83-L87 PolarHBondContact O-N 3.48Å
84	I	88.3	Confident	87.4	Confident	70 Å²	70	89.5 Å²	89.5	36%	0.359	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-38.2	177.3	-62.9	-178.8	0	0	0	110.4	I81 P82 L87 W88	I81-I84 HydrophobicContact CB-CB 4.33Å; I81-I84 HydrophobicContact CB-CD1 4.14Å; I81-I84 HydrophobicContact CB-CG1 4.19Å; I81-I84 HydrophobicContact CD1-CD1 3.93Å; I81-I84 HydrophobicContact CG2-CD1 4.36Å; I81-I84 HydrophobicContact CG2-CG1 4.09Å; I81-I84 PolarHBondContact O-N 3.44Å; P82-I84 PolarHBondContact O-N 3.36Å; I84-L87 PolarHBondContact O-N 3.27Å; I84-W88 VanDerWaalsContact O-CD1 3.26Å; I84-W88 PolarHBondContact O-N 3.39Å
85	R	89.1	Confident	87.9	Confident	106 Å²	106	87.7 Å²	87.7	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.2	-166.3	179.6	-67.9	170.4	-1.7	111.9	I76 S79 I81 P82 F83 W88 I89	I76-R85 HydrophobicContact CG2-CG 4.01Å; I76-R85 PolarHBondContact O-NE 3.18Å; S79-R85 PolarHBondContact O-NE 3.4Å; S79-R85 PolarHBondContact O-NH2 3.18Å; S79-R85 WeakPolarHBondContact OG-CA 3.26Å; S79-R85 WeakPolarHBondContact OG-CB 3.46Å; I81-R85 PolarHBondContact O-N 2.83Å; I81-R85 VanDerWaalsContact O-N 3.07Å; P82-R85 WeakPolarHBondContact O-CB 3.29Å; P82-R85 PolarHBondContact O-N 3.48Å; F83-R85 VanDerWaalsContact C-N 3.31Å; F83-R85 PolarHBondContact O-N 3.45Å; R85-W88 PolarHBondContact O-N 3.25Å; R85-I89 HydrophobicContact CG-CD1 3.99Å; R85-I89 WeakPolarHBondContact O-CB 3.42Å; R85-I89 VanDerWaalsContact O-CG1 3.26Å; R85-I89 WeakPolarHBondContact O-CG1 3.29Å; R85-I89 PolarHBondContact O-N 3.31Å
86	I	90.5	Very high	88.3	Confident	96 Å²	96	82 Å²	82	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176	-69.3	163.3	0	0	0	110.7	P82 F83 W88 I89 L90	P82-I86 VanDerWaalsContact O-CG1 3.32Å; P82-I86 WeakPolarHBondContact O-CG1 3.32Å; P82-I86 PolarHBondContact O-N 2.88Å; F83-I86 PolarHBondContact O-N 2.94Å; I86-W88 PolarHBondContact O-N 3.5Å; I86-I89 PolarHBondContact O-N 2.88Å; I86-L90 HydrophobicContact CG2-CD1 3.88Å; I86-L90 HydrophobicContact CG2-CG 4.31Å; I86-L90 WeakPolarHBondContact O-CB 3.42Å; I86-L90 WeakPolarHBondContact O-CG 3.19Å; I86-L90 PolarHBondContact O-N 2.85Å
87	L	91.4	Very high	88.7	Confident	92 Å²	92	83.3 Å²	83.3	48%	0.482	42%	0.421	S	S	.	.	H	α-helix	trans	-58.5	-46.6	177.1	-170.7	159.3	0	0	0	111.6	F83 I84 L90 F91	F83-L87 HydrophobicContact CE1-CD1 4.39Å; F83-L87 PolarHBondContact O-N 3.48Å; I84-L87 PolarHBondContact O-N 3.27Å; L87-L90 PolarHBondContact O-N 3.46Å; L87-F91 WeakPolarHBondContact O-CB 3.26Å; L87-F91 PolarHBondContact O-N 2.92Å
88	W	89.5	Confident	89.3	Confident	77 Å²	77	82.3 Å²	82.3	29%	0.292	42%	0.424	S	S	.	.	H	α-helix	trans	-68.6	-34.7	176.3	-78.4	106.9	0	0	0	113.6	R75 I76 I84 R85 I86 F91 V92	R75-W88 HydrophobicContact CB-CD2 3.79Å; R75-W88 HydrophobicContact CB-CE3 4.41Å; R75-W88 HydrophobicContact CB-CG 3.89Å; R75-W88 HydrophobicContact CB-CZ2 4.35Å; R75-W88 HydrophobicContact CG-CD2 4.31Å; R75-W88 HydrophobicContact CG-CH2 4.43Å; R75-W88 HydrophobicContact CG-CZ2 4.01Å; I76-W88 HydrophobicContact CD1-CB 4.5Å; I76-W88 HydrophobicContact CG1-CB 3.64Å; I84-W88 VanDerWaalsContact O-CD1 3.26Å; I84-W88 PolarHBondContact O-N 3.39Å; R85-W88 PolarHBondContact O-N 3.25Å; I86-W88 PolarHBondContact O-N 3.5Å; W88-F91 HydrophobicContact CE3-CD1 4.01Å; W88-F91 HydrophobicContact CE3-CG 4.44Å; W88-F91 AromaticContact CZ3-CD1 3.99Å; W88-F91 HydrophobicContact CZ3-CD1 3.99Å; W88-F91 HydrophobicContact CZ3-CE1 4.21Å; W88-F91 PolarHBondContact O-N 3.02Å; W88-V92 WeakPolarHBondContact O-CG2 3.47Å; W88-V92 PolarHBondContact O-N 3.43Å
89	I	90.4	Very high	89.9	Confident	65 Å²	65	79.2 Å²	79.2	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-62.4	-49.2	173	-72.8	165.1	0	0	0	110.3	I76 R85 I86 F91 V92 I93	I76-I89 HydrophobicContact CD1-CG1 3.82Å; I76-I89 HydrophobicContact CG1-CG1 3.99Å; I76-I89 HydrophobicContact CG2-CD1 4.21Å; I76-I89 HydrophobicContact CG2-CG1 3.88Å; R85-I89 HydrophobicContact CG-CD1 3.99Å; R85-I89 WeakPolarHBondContact O-CB 3.42Å; R85-I89 VanDerWaalsContact O-CG1 3.26Å; R85-I89 WeakPolarHBondContact O-CG1 3.29Å; R85-I89 PolarHBondContact O-N 3.31Å; I86-I89 PolarHBondContact O-N 2.88Å; I89-F91 PolarHBondContact O-N 2.74Å; I89-V92 PolarHBondContact O-N 3.41Å; I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.47Å; I89-I93 WeakPolarHBondContact O-CB 3.47Å; I89-I93 VanDerWaalsContact O-CG1 3.3Å; I89-I93 WeakPolarHBondContact O-CG1 3.32Å; I89-I93 PolarHBondContact O-N 3.5Å
90	L	92.6	Very high	90.6	Very high	94 Å²	94	85.3 Å²	85.3	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.6	-70.4	172.7	0	0	0	111.7	I86 L87 I93 I94	I86-L90 HydrophobicContact CG2-CD1 3.88Å; I86-L90 HydrophobicContact CG2-CG 4.31Å; I86-L90 WeakPolarHBondContact O-CB 3.42Å; I86-L90 WeakPolarHBondContact O-CG 3.19Å; I86-L90 PolarHBondContact O-N 2.85Å; L87-L90 PolarHBondContact O-N 3.46Å; L90-I93 PolarHBondContact O-N 3.43Å; L90-I94 WeakPolarHBondContact O-CB 3.27Å; L90-I94 WeakPolarHBondContact O-CD1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 3.22Å
91	F	91.4	Very high	91.5	Very high	79 Å²	79	80.5 Å²	80.5	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-57.7	-49.5	174.9	176.3	-90.9	0	0	0	112	L87 W88 I89 I94 M95	L87-F91 WeakPolarHBondContact O-CB 3.26Å; L87-F91 PolarHBondContact O-N 2.92Å; W88-F91 HydrophobicContact CE3-CD1 4.01Å; W88-F91 HydrophobicContact CE3-CG 4.44Å; W88-F91 AromaticContact CZ3-CD1 3.99Å; W88-F91 HydrophobicContact CZ3-CD1 3.99Å; W88-F91 HydrophobicContact CZ3-CE1 4.21Å; W88-F91 PolarHBondContact O-N 3.02Å; I89-F91 PolarHBondContact O-N 2.74Å; F91-I94 PolarHBondContact O-N 3Å; F91-M95 HydrophobicContact CD1-CG 4.42Å; F91-M95 HydrophobicContact CD2-CE 4.46Å; F91-M95 HydrophobicContact CD2-CG 4.42Å; F91-M95 HydrophobicContact CE1-CG 4.02Å; F91-M95 HydrophobicContact CE2-CE 3.79Å; F91-M95 HydrophobicContact CE2-CG 4.04Å; F91-M95 HydrophobicContact CZ-CE 4.23Å; F91-M95 HydrophobicContact CZ-CG 3.82Å; F91-M95 WeakPolarHBondContact O-CB 3.35Å; F91-M95 VanDerWaalsContact O-CG 3.32Å; F91-M95 WeakPolarHBondContact O-CG 3.36Å; F91-M95 PolarHBondContact O-N 2.88Å
92	V	91.5	Very high	91.8	Very high	24 Å²	24	77.7 Å²	77.7	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-44.3	178.9	171.7	0	0	0	0	110.8	I76 W88 I89 M95 T96	I76-V92 HydrophobicContact CD1-CB 4.43Å; I76-V92 HydrophobicContact CD1-CG2 4.03Å; W88-V92 WeakPolarHBondContact O-CG2 3.47Å; W88-V92 PolarHBondContact O-N 3.43Å; I89-V92 PolarHBondContact O-N 3.41Å; V92-M95 PolarHBondContact O-N 3.23Å; V92-T96 HydrophobicContact CG1-CG2 4.32Å; V92-T96 VanDerWaalsContact O-CG2 3.28Å; V92-T96 WeakPolarHBondContact O-CG2 3.48Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.95Å
93	I	92.9	Very high	92.3	Very high	85 Å²	85	74 Å²	74	44%	0.436	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-52.1	177.4	-70	168.5	0	0	0	110.7	I89 L90 M95 T96 C97	I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.47Å; I89-I93 WeakPolarHBondContact O-CB 3.47Å; I89-I93 VanDerWaalsContact O-CG1 3.3Å; I89-I93 WeakPolarHBondContact O-CG1 3.32Å; I89-I93 PolarHBondContact O-N 3.5Å; L90-I93 PolarHBondContact O-N 3.43Å; I93-M95 VanDerWaalsContact C-N 3.34Å; I93-M95 PolarHBondContact O-N 2.88Å; I93-T96 WeakPolarHBondContact CA-OG1 3.25Å; I93-T96 PolarHBondContact O-N 3.18Å; I93-T96 VanDerWaalsContact O-N 3.14Å; I93-T96 PolarHBondContact O-OG1 2.7Å; I93-C97 PolarHBondContact O-N 3.41Å; I93-C97 PolarHBondContact O-SG 3.31Å; I93-C97 VanDerWaalsContact O-SG 3.33Å
94	I	93.8	Very high	92.6	Very high	97 Å²	97	68.9 Å²	68.9	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-45.9	-179.8	-69	164.9	0	0	0	110.6	L90 F91 T96 C97 V98	L90-I94 WeakPolarHBondContact O-CB 3.27Å; L90-I94 WeakPolarHBondContact O-CD1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 3.22Å; F91-I94 PolarHBondContact O-N 3Å; I94-T96 PolarHBondContact O-N 3.22Å; I94-C97 PolarHBondContact O-N 3.01Å; I94-V98 HydrophobicContact CG2-CG2 4.49Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.09Å
95	M	93.3	Very high	93	Very high	54 Å²	54	72 Å²	72	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-32.7	178.2	-70.1	-63.3	164.8	0	0	113.1	F91 V92 I93 L99 C564	F91-M95 HydrophobicContact CD1-CG 4.42Å; F91-M95 HydrophobicContact CD2-CE 4.46Å; F91-M95 HydrophobicContact CD2-CG 4.42Å; F91-M95 HydrophobicContact CE1-CG 4.02Å; F91-M95 HydrophobicContact CE2-CE 3.79Å; F91-M95 HydrophobicContact CE2-CG 4.04Å; F91-M95 HydrophobicContact CZ-CE 4.23Å; F91-M95 HydrophobicContact CZ-CG 3.82Å; F91-M95 WeakPolarHBondContact O-CB 3.35Å; F91-M95 VanDerWaalsContact O-CG 3.32Å; F91-M95 WeakPolarHBondContact O-CG 3.36Å; F91-M95 PolarHBondContact O-N 2.88Å; V92-M95 PolarHBondContact O-N 3.23Å; I93-M95 VanDerWaalsContact C-N 3.34Å; I93-M95 PolarHBondContact O-N 2.88Å; M95-L99 VanDerWaalsContact O-CB 3.31Å; M95-L99 WeakPolarHBondContact O-CB 3.18Å; M95-L99 PolarHBondContact O-N 3.34Å; M95-C564 HydrophobicContact CB-CB 4.23Å; M95-C564 WeakPolarHBondContact CB-O 3.15Å; M95-C564 HydrophobicContact SD-CB 4.38Å
96	T	92.3	Very high	93.3	Very high	39 Å²	39	68 Å²	68	24%	0.239	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-41.8	171.3	56.8	0	0	0	0	112.2	V92 I93 I94 L99 M100 I565	V92-T96 HydrophobicContact CG1-CG2 4.32Å; V92-T96 VanDerWaalsContact O-CG2 3.28Å; V92-T96 WeakPolarHBondContact O-CG2 3.48Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.95Å; I93-T96 WeakPolarHBondContact CA-OG1 3.25Å; I93-T96 PolarHBondContact O-N 3.18Å; I93-T96 VanDerWaalsContact O-N 3.14Å; I93-T96 PolarHBondContact O-OG1 2.7Å; I94-T96 PolarHBondContact O-N 3.22Å; T96-L99 PolarHBondContact O-N 3.04Å; T96-M100 WeakPolarHBondContact O-CG 3.34Å; T96-M100 PolarHBondContact O-N 3.42Å; T96-I565 HydrophobicContact CG2-CD1 3.55Å; T96-I565 HydrophobicContact CG2-CG1 4.46Å
97	C	94.8	Very high	93.5	Very high	66 Å²	66	67 Å²	67	45%	0.446	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.2	-67	0	0	0	0	111.6	I93 I94 M100 V101	I93-C97 PolarHBondContact O-N 3.41Å; I93-C97 PolarHBondContact O-SG 3.31Å; I93-C97 VanDerWaalsContact O-SG 3.33Å; I94-C97 PolarHBondContact O-N 3.01Å; C97-M100 PolarHBondContact O-N 2.88Å; C97-V101 WeakPolarHBondContact O-CB 3.4Å; C97-V101 WeakPolarHBondContact O-CG2 3.37Å; C97-V101 PolarHBondContact O-N 3.45Å
98	V	94.2	Very high	93.6	Very high	66 Å²	66	65.7 Å²	65.7	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-47.3	174.3	170.8	0	0	0	0	110.6	I94 M100 V101 S102	I94-V98 HydrophobicContact CG2-CG2 4.49Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.09Å; V98-M100 PolarHBondContact O-N 3.21Å; V98-V101 PolarHBondContact O-N 3.38Å; V98-S102 WeakPolarHBondContact O-CB 3.31Å; V98-S102 PolarHBondContact O-N 2.83Å; V98-S102 PolarHBondContact O-OG 3.43Å
99	L	94.5	Very high	93.8	Very high	17 Å²	17	66 Å²	66	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-45.5	177.5	179.2	63.3	0	0	0	112.2	M95 T96 S103 L560 C564 I565	M95-L99 VanDerWaalsContact O-CB 3.31Å; M95-L99 WeakPolarHBondContact O-CB 3.18Å; M95-L99 PolarHBondContact O-N 3.34Å; T96-L99 PolarHBondContact O-N 3.04Å; L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-OG 3.4Å; L99-L560 HydrophobicContact CD1-CB 3.53Å; L99-C564 HydrophobicContact CB-CB 4.19Å; L99-I565 HydrophobicContact CD2-CD1 3.41Å; L99-I565 VanDerWaalsContact CD2-CD1 3.41Å; L99-I565 HydrophobicContact CD2-CG1 3.96Å
100	M	93.9	Very high	94	Very high	140 Å²	140	65.2 Å²	65.2	69%	0.69	36%	0.359	S	S	*	.	H	α-helix	trans	-63.3	-47	178.9	-72.9	179.8	-173.3	0	0	111.9	T96 C97 V98 S103 G104	T96-M100 WeakPolarHBondContact O-CG 3.34Å; T96-M100 PolarHBondContact O-N 3.42Å; C97-M100 PolarHBondContact O-N 2.88Å; V98-M100 PolarHBondContact O-N 3.21Å; M100-S103 PolarHBondContact O-N 3.07Å; M100-G104 PolarHBondContact O-N 3.29Å
101	V	96.2	Very high	94	Very high	85 Å²	85	65.5 Å²	65.5	52%	0.515	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-48.3	-179.2	170.9	0	0	0	0	111.2	C97 V98 S103 G104 F105	C97-V101 WeakPolarHBondContact O-CB 3.4Å; C97-V101 WeakPolarHBondContact O-CG2 3.37Å; C97-V101 PolarHBondContact O-N 3.45Å; V98-V101 PolarHBondContact O-N 3.38Å; V101-S103 VanDerWaalsContact C-N 3.35Å; V101-S103 PolarHBondContact O-N 3.48Å; V101-G104 PolarHBondContact O-N 3.46Å; V101-F105 HydrophobicContact CG1-CD2 3.87Å; V101-F105 HydrophobicContact CG1-CE2 3.44Å; V101-F105 VanDerWaalsContact CG1-CE2 3.44Å; V101-F105 HydrophobicContact CG1-CZ 4.38Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.39Å; V101-F105 PolarHBondContact O-N 2.89Å
102	S	95	Very high	94.1	Very high	39 Å²	39	65.4 Å²	65.4	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-36	177.7	-63.8	0	0	0	0	112.8	V98 L106	V98-S102 WeakPolarHBondContact O-CB 3.31Å; V98-S102 PolarHBondContact O-N 2.83Å; V98-S102 PolarHBondContact O-OG 3.43Å; S102-L106 WeakPolarHBondContact O-CG 3.5Å; S102-L106 PolarHBondContact O-N 3.38Å; S102-L106 VanDerWaalsContact O-N 3.1Å
103	S	94.7	Very high	94.1	Very high	17 Å²	17	67.6 Å²	67.6	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-68.1	-37.9	173.3	-56.2	0	0	0	0	111.6	L99 M100 V101 L106 I107	L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-OG 3.4Å; M100-S103 PolarHBondContact O-N 3.07Å; V101-S103 VanDerWaalsContact C-N 3.35Å; V101-S103 PolarHBondContact O-N 3.48Å; S103-L106 PolarHBondContact O-N 3.25Å; S103-I107 WeakPolarHBondContact O-CB 3.5Å; S103-I107 WeakPolarHBondContact O-CD1 3.49Å; S103-I107 VanDerWaalsContact O-CG1 3.24Å; S103-I107 WeakPolarHBondContact O-CG1 3.37Å; S103-I107 PolarHBondContact O-N 3.15Å
104	G	95.2	Very high	94.1	Very high	39 Å²	39	66.1 Å²	66.1	40%	0.402	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-45.1	174.8	0	0	0	0	0	112.7	M100 V101 I107 S108	M100-G104 PolarHBondContact O-N 3.29Å; V101-G104 PolarHBondContact O-N 3.46Å; G104-I107 PolarHBondContact O-N 3.46Å; G104-S108 PolarHBondContact O-N 3.12Å
105	F	95.6	Very high	94.1	Very high	135 Å²	135	64 Å²	64	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-62.4	-47.6	173.7	-71.5	-55.9	0	0	0	112.3	V101 I107 S108 D109	V101-F105 HydrophobicContact CG1-CD2 3.87Å; V101-F105 HydrophobicContact CG1-CE2 3.44Å; V101-F105 VanDerWaalsContact CG1-CE2 3.44Å; V101-F105 HydrophobicContact CG1-CZ 4.38Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.39Å; V101-F105 PolarHBondContact O-N 2.89Å; F105-I107 VanDerWaalsContact C-N 3.28Å; F105-I107 PolarHBondContact O-N 2.97Å; F105-S108 WeakPolarHBondContact O-CA 3.42Å; F105-S108 WeakPolarHBondContact O-CB 3.35Å; F105-S108 PolarHBondContact O-N 2.88Å; F105-D109 PolarHBondContact O-N 2.85Å
106	L	95.6	Very high	94.2	Very high	21 Å²	21	63.4 Å²	63.4	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-36.2	177	-70.9	174.7	0	0	0	113.1	S102 S103 Y110 F548 L553 R556 I557 L560	S102-L106 WeakPolarHBondContact O-CG 3.5Å; S102-L106 PolarHBondContact O-N 3.38Å; S102-L106 VanDerWaalsContact O-N 3.1Å; S103-L106 PolarHBondContact O-N 3.25Å; L106-Y110 WeakPolarHBondContact O-CB 3.33Å; L106-Y110 PolarHBondContact O-N 3.32Å; L106-Y110 VanDerWaalsContact O-N 3.07Å; L106-F548 HydrophobicContact CB-CE1 4.41Å; L106-F548 HydrophobicContact CB-CZ 4.46Å; L106-F548 HydrophobicContact CD2-CE1 4.37Å; L106-F548 HydrophobicContact CD2-CZ 3.9Å; L106-F548 WeakPolarHBondContact O-CE1 3.3Å; L106-L553 HydrophobicContact CB-CD1 4.27Å; L106-R556 HydrophobicContact CD1-CB 3.77Å; L106-I557 HydrophobicContact CD1-CG1 4.31Å; L106-L560 HydrophobicContact CD1-CD1 3.61Å
107	I	94.6	Very high	94.4	Very high	75 Å²	75	66.8 Å²	66.8	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-37.9	174.8	-69.2	164.1	0	0	0	110.6	S103 G104 F105 Y110 L111 L553 I557	S103-I107 WeakPolarHBondContact O-CB 3.5Å; S103-I107 WeakPolarHBondContact O-CD1 3.49Å; S103-I107 VanDerWaalsContact O-CG1 3.24Å; S103-I107 WeakPolarHBondContact O-CG1 3.37Å; S103-I107 PolarHBondContact O-N 3.15Å; G104-I107 PolarHBondContact O-N 3.46Å; F105-I107 VanDerWaalsContact C-N 3.28Å; F105-I107 PolarHBondContact O-N 2.97Å; I107-Y110 PolarHBondContact O-N 3.22Å; I107-L111 HydrophobicContact CG2-CD1 3.98Å; I107-L111 HydrophobicContact CG2-CG 4.49Å; I107-L111 WeakPolarHBondContact O-CB 3.25Å; I107-L111 VanDerWaalsContact O-CG 3.27Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 3.03Å; I107-L553 HydrophobicContact CG1-CD1 4.2Å; I107-I557 HydrophobicContact CD1-CD1 4.42Å; I107-I557 HydrophobicContact CG1-CD1 4.22Å
108	S	94.3	Very high	94.5	Very high	65 Å²	65	66.7 Å²	66.7	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-48	173.2	-163.7	0	0	0	0	111.7	G104 F105 Y110 L111 C112	G104-S108 PolarHBondContact O-N 3.12Å; F105-S108 WeakPolarHBondContact O-CA 3.42Å; F105-S108 WeakPolarHBondContact O-CB 3.35Å; F105-S108 PolarHBondContact O-N 2.88Å; S108-Y110 VanDerWaalsContact C-N 3.27Å; S108-Y110 PolarHBondContact O-N 3.41Å; S108-L111 PolarHBondContact O-N 2.84Å; S108-L111 VanDerWaalsContact O-N 3.12Å; S108-C112 PolarHBondContact O-N 2.88Å; S108-C112 VanDerWaalsContact O-N 3.07Å; S108-C112 PolarHBondContact O-SG 3.2Å
109	D	93.3	Very high	94.6	Very high	83 Å²	83	67.9 Å²	67.9	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-35.7	179	-65.9	-21	0	0	0	112.3	F105	F105-D109 PolarHBondContact O-N 2.85Å
110	Y	93.4	Very high	94.6	Very high	49 Å²	49	71.8 Å²	71.8	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-46.4	172.7	177.6	-102.4	0	0	0	112.2	L106 I107 S108 C112 Y113 F548 I550 L553	L106-Y110 WeakPolarHBondContact O-CB 3.33Å; L106-Y110 PolarHBondContact O-N 3.32Å; L106-Y110 VanDerWaalsContact O-N 3.07Å; I107-Y110 PolarHBondContact O-N 3.22Å; S108-Y110 VanDerWaalsContact C-N 3.27Å; S108-Y110 PolarHBondContact O-N 3.41Å; Y110-C112 PolarHBondContact O-N 3.27Å; Y110-Y113 PolarHBondContact O-N 3.28Å; Y110-F548 HydrophobicContact CD2-CD1 4.27Å; Y110-F548 WeakPolarHBondContact CD2-O 3.45Å; Y110-I550 HydrophobicContact CE2-CB 4.13Å; Y110-L553 HydrophobicContact CD1-CD2 3.9Å; Y110-L553 HydrophobicContact CD2-CB 4.22Å; Y110-L553 HydrophobicContact CD2-CD2 4.02Å; Y110-L553 HydrophobicContact CE1-CD2 4.2Å; Y110-L553 HydrophobicContact CE2-CD2 4.31Å; Y110-L553 HydrophobicContact CG-CD2 3.82Å
111	L	93.2	Very high	94.6	Very high	100 Å²	100	68.6 Å²	68.6	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-69.5	-13.3	179.6	-68.9	172.8	0	0	0	113.7	I107 S108 Y113	I107-L111 HydrophobicContact CG2-CD1 3.98Å; I107-L111 HydrophobicContact CG2-CG 4.49Å; I107-L111 WeakPolarHBondContact O-CB 3.25Å; I107-L111 VanDerWaalsContact O-CG 3.27Å; I107-L111 WeakPolarHBondContact O-CG 3.33Å; I107-L111 PolarHBondContact O-N 3.03Å; S108-L111 PolarHBondContact O-N 2.84Å; S108-L111 VanDerWaalsContact O-N 3.12Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 WeakPolarHBondContact O-CD2 3.43Å
112	C	92.7	Very high	94.6	Very high	78 Å²	78	67.4 Å²	67.4	53%	0.527	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	168.8	-68.8	0	0	0	0	114	S108 Y110 S114	S108-C112 PolarHBondContact O-N 2.88Å; S108-C112 VanDerWaalsContact O-N 3.07Å; S108-C112 PolarHBondContact O-SG 3.2Å; Y110-C112 PolarHBondContact O-N 3.27Å; C112-S114 VanDerWaalsContact C-N 3.27Å; C112-S114 PolarHBondContact O-N 2.93Å
113	Y	92.5	Very high	94.5	Very high	70 Å²	70	72.5 Å²	72.5	28%	0.275	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.4	-179.5	-65.7	-83.9	0	0	0	114.7	Y110 L111 T115 P336 V337 L546	Y110-Y113 PolarHBondContact O-N 3.28Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 WeakPolarHBondContact O-CD2 3.43Å; Y113-T115 PolarHBondContact O-N 3.33Å; Y113-P336 HydrophobicContact CD2-CG 4.36Å; Y113-P336 HydrophobicContact CE1-CG 4.32Å; Y113-P336 HydrophobicContact CE2-CG 4.02Å; Y113-V337 HydrophobicContact CD2-CG2 4.08Å; Y113-L546 HydrophobicContact CD1-CD2 4.33Å
114	S	93.9	Very high	94.3	Very high	54 Å²	54	76.7 Å²	76.7	38%	0.378	42%	0.419	S	S	.	.			trans	-61	129.5	-178.3	54.4	0	0	0	0	112.7	C112 V547	C112-S114 VanDerWaalsContact C-N 3.27Å; C112-S114 PolarHBondContact O-N 2.93Å; S114-V547 PolarHBondContact O-N 3.48Å
115	T	93.9	Very high	94.1	Very high	52 Å²	52	77.9 Å²	77.9	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.6	-178.9	55.9	0	0	0	0	113.1	Y113 L333 T335 E544 R545 L546	Y113-T115 PolarHBondContact O-N 3.33Å; T115-L333 HydrophobicContact CG2-CD2 4.3Å; T115-T335 HydrophobicContact CG2-CG2 4.1Å; T115-E544 VanDerWaalsContact CB-OE1 3.3Å; T115-E544 WeakPolarHBondContact CB-OE1 3.25Å; T115-E544 HydrophobicContact CG2-CG 3.92Å; T115-E544 PolarHBondContact OG1-OE1 2.85Å; T115-R545 CarbonylContact C-O 3.5Å; T115-R545 VanDerWaalsContact CA-O 3.22Å; T115-R545 WeakPolarHBondContact CA-O 3.21Å; T115-L546 HydrophobicContact CG2-CD2 4.21Å
116	A	95.1	Very high	93.8	Very high	42 Å²	42	74.1 Å²	74.1	35%	0.347	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.1	171.6	0	0	0	0	0	111.6	N118 R545 V547	A116-N118 PolarHBondContact O-ND2 2.92Å; A116-R545 PolarHBondContact N-O 3.2Å; A116-R545 PolarHBondContact O-N 3.27Å; A116-V547 HydrophobicContact CB-CG2 3.57Å
117	W	95.9	Very high	93.7	Very high	110 Å²	110	73.4 Å²	73.4	42%	0.417	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.1	178.5	-68.1	100.4	0	0	0	111.9	W330 R332 K542 E544	W117-W330 HydrophobicContact CD2-CZ3 4.4Å; W117-W330 HydrophobicContact CE3-CE3 4.16Å; W117-W330 HydrophobicContact CE3-CZ3 4.38Å; W117-W330 AromaticContact CH2-CE3 3.67Å; W117-W330 HydrophobicContact CH2-CE3 3.67Å; W117-W330 HydrophobicContact CH2-CZ3 4.26Å; W117-W330 HydrophobicContact CZ2-CE3 4.16Å; W117-W330 HydrophobicContact CZ2-CZ3 4.33Å; W117-W330 AromaticContact CZ3-CE3 3.7Å; W117-W330 HydrophobicContact CZ3-CE3 3.7Å; W117-W330 HydrophobicContact CZ3-CZ3 4.32Å; W117-R332 HydrophobicContact CH2-CG 3.66Å; W117-R332 HydrophobicContact CZ2-CG 4.26Å; W117-K542 HydrophobicContact CE3-CB 4.16Å; W117-K542 HydrophobicContact CZ3-CB 4.41Å; W117-K542 WeakPolarHBondContact CZ3-O 3.28Å; W117-E544 HydrophobicContact CD2-CB 4.28Å; W117-E544 HydrophobicContact CE3-CB 3.93Å; W117-E544 HydrophobicContact CH2-CB 4.17Å; W117-E544 HydrophobicContact CZ2-CB 4.46Å; W117-E544 HydrophobicContact CZ3-CB 3.87Å
118	N	95.8	Very high	93.7	Very high	64 Å²	64	73 Å²	73	34%	0.342	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.2	175.7	-70	-105	0	0	0	109	A116 E543	A116-N118 PolarHBondContact O-ND2 2.92Å; N118-E543 PolarHBondContact N-O 3.13Å; N118-E543 PolarHBondContact O-N 3.1Å
119	T	96.3	Very high	93.6	Very high	91 Å²	91	70.3 Å²	70.3	56%	0.558	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	138.1	178.6	-48.7	0	0	0	0	110.9	I540 M541 K542	T119-I540 HydrophobicContact CG2-CG2 3.47Å; T119-I540 VanDerWaalsContact CG2-CG2 3.47Å; T119-M541 CarbonylContact C-O 3.58Å; T119-M541 WeakPolarHBondContact CA-O 3.46Å; T119-K542 HydrophobicContact CG2-CG 4.21Å
120	R	95.7	Very high	93.8	Very high	99 Å²	99	66.4 Å²	66.4	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.2	172	-56.6	-177.5	-174.4	116.4	11.7	109.1	I540 M541 E543 R545	R120-I540 CarbonylContact O-C 3.55Å; R120-I540 WeakPolarHBondContact O-CA 3.22Å; R120-M541 PolarHBondContact N-O 3.41Å; R120-M541 PolarHBondContact O-N 2.93Å; R120-E543 IonicContact CZ-OE2 3.83Å; R120-E543 IonicContact NH1-OE2 3.62Å; R120-E543 PolarHBondContact NH1-OE2 2.75Å; R120-E543 IonicContact NH2-OE2 3.78Å; R120-R545 VanDerWaalsContact NH2-CZ 3.33Å
121	S	94.7	Very high	93.9	Very high	73 Å²	73	64 Å²	64	51%	0.51	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	138.3	159.1	46.3	0	0	0	0	109.5
122	L	94.6	Very high	94.1	Very high	60 Å²	60	59.3 Å²	59.3	31%	0.314	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.1	160.4	-62.4	-175.6	0	0	0	107.1	D125 D538 T539 M541	L122-D125 HydrophobicContact CB-CB 3.51Å; L122-D125 HydrophobicContact CD1-CB 4.31Å; L122-D125 WeakPolarHBondContact CD1-OD2 3.32Å; L122-D538 VanDerWaalsContact O-CA 3.3Å; L122-D538 WeakPolarHBondContact O-CA 3.37Å; L122-T539 PolarHBondContact N-O 3.22Å; L122-T539 PolarHBondContact O-N 2.88Å; L122-M541 HydrophobicContact CD1-CE 3.71Å; L122-M541 HydrophobicContact CG-CB 4.44Å
123	L	93.4	Very high	94.3	Very high	145 Å²	145	55.6 Å²	55.6	76%	0.759	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	128.4	-179.1	-73.2	151.4	0	0	0	110.2	D125 D538	L123-D125 PolarHBondContact O-N 3Å; L123-D538 VanDerWaalsContact CA-OD1 3.31Å; L123-D538 WeakPolarHBondContact CA-OD1 3.46Å; L123-D538 WeakPolarHBondContact CD2-OD2 3.33Å
124	D	89.9	Confident	94.4	Very high	106 Å²	106	52.2 Å²	52.2	57%	0.567	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	27.9	179.5	-161.7	28.3	0	0	0	114.5	K126 D538	D124-K126 VanDerWaalsContact C-N 3.28Å; D124-K126 PolarHBondContact O-N 3.37Å; D124-D538 PolarHBondContact N-OD1 3.39Å; D124-D538 VanDerWaalsContact N-OD1 3.1Å
125	D	91.4	Very high	94.5	Very high	64 Å²	64	49.7 Å²	49.7	34%	0.342	26%	0.261	S	S	.	.			trans	-80.6	75.1	173.5	-175.8	43.7	0	0	0	110.1	L122 L123 S127 F537 T539	L122-D125 HydrophobicContact CB-CB 3.51Å; L122-D125 HydrophobicContact CD1-CB 4.31Å; L122-D125 WeakPolarHBondContact CD1-OD2 3.32Å; L123-D125 PolarHBondContact O-N 3Å; D125-S127 VanDerWaalsContact C-N 3.31Å; D125-S127 PolarHBondContact O-N 3.38Å; D125-F537 CarbonylContact C-O 3.5Å; D125-F537 PolarHBondContact N-O 3.5Å; D125-T539 PolarHBondContact O-OG1 3.07Å; D125-T539 WeakPolarHBondContact OD2-CB 3.27Å
126	K	89.8	Confident	94.5	Very high	55 Å²	55	47.3 Å²	47.3	24%	0.239	25%	0.247	C	C	.	.			trans	-57.4	82.1	-173.2	-60.4	-158.2	-171.9	-169.3	0	113.9	D124 E218 S260 D261 F537	D124-K126 VanDerWaalsContact C-N 3.28Å; D124-K126 PolarHBondContact O-N 3.37Å; K126-E218 IonicContact NZ-OE1 3.25Å; K126-E218 PolarHBondContact NZ-OE1 3.45Å; K126-E218 IonicContact NZ-OE2 2.85Å; K126-E218 PolarHBondContact NZ-OE2 3.04Å; K126-S260 WeakPolarHBondContact O-CB 3.22Å; K126-D261 WeakPolarHBondContact CD-OD1 3.39Å; K126-D261 IonicContact NZ-OD1 2.67Å; K126-D261 PolarHBondContact NZ-OD1 2.85Å; K126-F537 HydrophobicContact CB-CD1 4.24Å; K126-F537 HydrophobicContact CD-CD1 3.91Å; K126-F537 HydrophobicContact CD-CE1 3.95Å; K126-F537 HydrophobicContact CG-CB 4.36Å; K126-F537 HydrophobicContact CG-CD1 3.71Å; K126-F537 HydrophobicContact CG-CE1 4.27Å; K126-F537 HydrophobicContact CG-CG 4.24Å
127	S	93	Very high	94.4	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.042	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-65.7	145.7	178	63.5	0	0	0	0	112.6	D125 F129 T327 R534 T539	D125-S127 VanDerWaalsContact C-N 3.31Å; D125-S127 PolarHBondContact O-N 3.38Å; S127-F129 PolarHBondContact O-N 3.11Å; S127-T327 WeakPolarHBondContact OG-CG2 3.46Å; S127-T327 PolarHBondContact OG-OG1 3.44Å; S127-R534 VanDerWaalsContact O-CZ 3.32Å; S127-R534 PolarHBondContact O-NH1 2.73Å; S127-R534 PolarHBondContact O-NH2 3.5Å; S127-R534 PolarHBondContact OG-NH1 3.48Å; S127-T539 WeakPolarHBondContact CB-OG1 3.39Å
128	E	93.9	Very high	94.2	Very high	66 Å²	66	42 Å²	42	31%	0.308	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-49.9	135.6	170.9	-65.9	-78.9	146	0	0	112.4	S258 T259 K302	E128-S258 WeakPolarHBondContact OE1-CA 3.47Å; E128-S258 WeakPolarHBondContact OE1-CB 3.09Å; E128-S258 PolarHBondContact OE1-OG 2.9Å; E128-T259 PolarHBondContact OE2-N 2.87Å; E128-T259 PolarHBondContact OE2-OG1 2.94Å; E128-K302 IonicContact OE2-NZ 3.34Å; E128-K302 PolarHBondContact OE2-NZ 3.48Å
129	F	93.9	Very high	94.1	Very high	9 Å²	9	39 Å²	39	4%	0.039	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-55.5	137.9	174.6	-161	-104.3	0	0	0	112	S127 T259 V262 L265 Y325 L532	S127-F129 PolarHBondContact O-N 3.11Å; F129-T259 WeakPolarHBondContact CB-O 3.4Å; F129-T259 WeakPolarHBondContact CB-OG1 3.29Å; F129-T259 PolarHBondContact N-O 2.68Å; F129-T259 PolarHBondContact N-OG1 2.99Å; F129-V262 HydrophobicContact CB-CB 3.98Å; F129-V262 HydrophobicContact CB-CG1 4.37Å; F129-V262 HydrophobicContact CB-CG2 4.35Å; F129-V262 HydrophobicContact CD1-CG1 4.26Å; F129-V262 HydrophobicContact CD2-CB 3.62Å; F129-V262 HydrophobicContact CD2-CG1 3.33Å; F129-V262 HydrophobicContact CE1-CG1 4.4Å; F129-V262 HydrophobicContact CE2-CB 4.29Å; F129-V262 HydrophobicContact CE2-CG1 3.51Å; F129-V262 HydrophobicContact CG-CB 3.89Å; F129-V262 HydrophobicContact CG-CG1 3.74Å; F129-V262 HydrophobicContact CZ-CG1 4.05Å; F129-L265 HydrophobicContact CE1-CB 3.98Å; F129-L265 HydrophobicContact CE1-CD2 4.25Å; F129-L265 HydrophobicContact CZ-CB 3.69Å; F129-Y325 HydrophobicContact CD2-CE1 4.28Å; F129-Y325 WeakPolarHBondContact CD2-OH 3.41Å; F129-Y325 AromaticContact CE2-CE1 3.81Å; F129-Y325 HydrophobicContact CE2-CE1 3.81Å; F129-Y325 HydrophobicContact CZ-CE1 4.4Å; F129-L532 HydrophobicContact CE1-CD2 3.77Å; F129-L532 HydrophobicContact CZ-CB 4.48Å; F129-L532 HydrophobicContact CZ-CD2 3.61Å; F129-L532 HydrophobicContact CZ-CG 3.92Å
130	P	96.2	Very high	93.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-60.9	159	177.4	25.1	-35.6	0	0	0	113.2	I299 Y325 Y449 L532	P130-I299 HydrophobicContact CB-CG2 3.69Å; P130-I299 HydrophobicContact CG-CG2 4.01Å; P130-Y325 VanDerWaalsContact CD-CZ 3.44Å; P130-Y325 WeakPolarHBondContact CD-OH 3.2Å; P130-Y325 HydrophobicContact CG-CD1 4.25Å; P130-Y325 HydrophobicContact CG-CE1 3.84Å; P130-Y325 HydrophobicContact CG-CE2 4.24Å; P130-Y449 HydrophobicContact CB-CD1 4.16Å; P130-Y449 HydrophobicContact CB-CD2 3.94Å; P130-Y449 HydrophobicContact CB-CE1 3.88Å; P130-Y449 HydrophobicContact CB-CE2 3.68Å; P130-Y449 HydrophobicContact CB-CG 4.18Å; P130-Y449 HydrophobicContact CG-CD1 4.35Å; P130-Y449 HydrophobicContact CG-CE1 4.24Å; P130-L532 HydrophobicContact CG-CD2 4.18Å
131	A	96	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.6	159.4	0	0	0	0	0	109.9	T250 I251 D252 I299 H300	A131-T250 HydrophobicContact CB-CG2 4.22Å; A131-I251 WeakPolarHBondContact CA-O 3.4Å; A131-D252 HydrophobicContact CB-CB 3.62Å; A131-I299 WeakPolarHBondContact O-CA 3.4Å; A131-H300 PolarHBondContact N-O 3.3Å; A131-H300 PolarHBondContact O-CD2 3.16Å; A131-H300 VanDerWaalsContact O-CD2 3.28Å; A131-H300 PolarHBondContact O-N 2.62Å
132	I	96.7	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.9	172.1	-179.5	176.4	0	0	0	109	L134 T250 I251 L265 I267 V297 I299 L532	I132-L134 HydrophobicContact CD1-CD1 4.31Å; I132-L134 HydrophobicContact CG1-CD1 4.01Å; I132-L134 HydrophobicContact CG1-CG 4.37Å; I132-L134 HydrophobicContact CG2-CD1 4.44Å; I132-T250 CarbonylContact O-C 3.55Å; I132-T250 WeakPolarHBondContact O-CA 3.33Å; I132-I251 HydrophobicContact CG2-CB 3.83Å; I132-I251 HydrophobicContact CG2-CG1 4.45Å; I132-I251 PolarHBondContact N-O 2.9Å; I132-I251 PolarHBondContact O-N 2.82Å; I132-L265 HydrophobicContact CG2-CD2 3.7Å; I132-I267 HydrophobicContact CD1-CD1 4.16Å; I132-V297 HydrophobicContact CD1-CG1 3.6Å; I132-V297 HydrophobicContact CG1-CG1 3.59Å; I132-I299 HydrophobicContact CG1-CG1 4.33Å; I132-L532 HydrophobicContact CB-CD2 4.05Å; I132-L532 HydrophobicContact CD1-CD2 4.1Å; I132-L532 HydrophobicContact CG2-CD2 4.27Å
133	T	96.8	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.1	175.9	-61.8	0	0	0	0	110.6	F240 C248 W249 T250 V297 V298 H300 P306	T133-F240 HydrophobicContact CG2-CD1 4.2Å; T133-C248 HydrophobicContact CG2-CB 4.17Å; T133-W249 WeakPolarHBondContact CA-O 3.24Å; T133-T250 WeakPolarHBondContact OG1-CB 3.47Å; T133-T250 WeakPolarHBondContact OG1-CG2 3.28Å; T133-T250 PolarHBondContact OG1-OG1 3.42Å; T133-V297 WeakPolarHBondContact O-CA 3.43Å; T133-V298 PolarHBondContact N-O 2.99Å; T133-V298 PolarHBondContact O-N 3.25Å; T133-H300 PolarHBondContact OG1-NE2 3.02Å; T133-P306 HydrophobicContact CG2-CB 3.93Å; T133-P306 HydrophobicContact CG2-CG 4.09Å
134	L	96	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	-178.5	-57	96.3	0	0	0	110.8	I132 C248 W249 I251 I267 I295 V297 I530	I132-L134 HydrophobicContact CD1-CD1 4.31Å; I132-L134 HydrophobicContact CG1-CD1 4.01Å; I132-L134 HydrophobicContact CG1-CG 4.37Å; I132-L134 HydrophobicContact CG2-CD1 4.44Å; L134-C248 CarbonylContact O-C 3.58Å; L134-C248 VanDerWaalsContact O-CA 3.27Å; L134-C248 WeakPolarHBondContact O-CA 3.08Å; L134-C248 VanDerWaalsContact O-CB 3.28Å; L134-C248 WeakPolarHBondContact O-CB 3.31Å; L134-W249 PolarHBondContact N-O 3.24Å; L134-W249 PolarHBondContact O-N 3.15Å; L134-I251 HydrophobicContact CD1-CD1 4.42Å; L134-I251 HydrophobicContact CD1-CG1 4.43Å; L134-I267 HydrophobicContact CD1-CD1 3.7Å; L134-I267 HydrophobicContact CD2-CD1 3.73Å; L134-I267 HydrophobicContact CD2-CG2 4.29Å; L134-I267 HydrophobicContact CG-CD1 4.35Å; L134-I295 HydrophobicContact CB-CG2 4.06Å; L134-I295 HydrophobicContact CD2-CG2 4.33Å; L134-V297 HydrophobicContact CD2-CG2 4.05Å; L134-V297 HydrophobicContact CG-CG2 4.08Å; L134-I530 HydrophobicContact CD2-CD1 3.61Å
135	C	95.5	Very high	93.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.5	174.3	-66.2	0	0	0	0	109.3	Y245 C248 I295 K296 I308	C135-Y245 HydrophobicContact CB-CD1 4.48Å; C135-Y245 HydrophobicContact CB-CD2 3.96Å; C135-Y245 HydrophobicContact CB-CG 3.81Å; C135-C248 HydrophobicContact CB-CB 4.06Å; C135-C248 WeakPolarHBondContact CB-SG 3.34Å; C135-C248 WeakPolarHBondContact SG-CB 3.07Å; C135-C248 CovalentContact SG-SG 2.02Å; C135-C248 PolarHBondContact SG-SG 3.49Å; C135-I295 CarbonylContact O-C 3.55Å; C135-I295 WeakPolarHBondContact O-CA 3.36Å; C135-I295 WeakPolarHBondContact O-CG2 3.48Å; C135-K296 PolarHBondContact N-O 3.05Å; C135-K296 PolarHBondContact O-N 3.4Å; C135-I308 HydrophobicContact CB-CD1 3.63Å; C135-I308 WeakPolarHBondContact SG-CD1 3.38Å
136	A	94.2	Very high	93.9	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.5	170	0	0	0	0	0	111	N138 M209 Y245 L271	A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 CarbonylContact C-O 3.54Å; A136-N138 WeakPolarHBondContact CB-O 3.36Å; A136-M209 HydrophobicContact CB-SD 3.72Å; A136-Y245 VanDerWaalsContact O-CD1 3.23Å; A136-Y245 WeakPolarHBondContact O-CD1 3.49Å; A136-L271 HydrophobicContact CB-CD2 4.01Å
137	H	92	Very high	94.2	Very high	25 Å²	25	19.1 Å²	19.1	12%	0.116	11%	0.106	C	C	.	.	S	Bend	trans	-69	-30.8	175.5	-88.5	-85	0	0	0	112.7	Y245 G292 G294 N314	H137-Y245 AromaticContact ND1-CE1 3.91Å; H137-G292 WeakPolarHBondContact CB-O 3.34Å; H137-G294 PolarHBondContact N-O 3Å; H137-N314 PolarHBondContact CE1-OD1 2.87Å; H137-N314 VanDerWaalsContact CE1-OD1 3.29Å; H137-N314 PolarHBondContact NE2-OD1 2.88Å
138	N	91.9	Very high	94.3	Very high	14 Å²	14	19.5 Å²	19.5	8%	0.075	11%	0.107	C	C	.	.	S	Bend	trans	-80.4	123.3	158.3	170.7	27.9	0	0	0	107.8	A136 F140 H205 I272 L274	A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 CarbonylContact C-O 3.54Å; A136-N138 WeakPolarHBondContact CB-O 3.36Å; N138-F140 VanDerWaalsContact C-N 3.32Å; N138-F140 PolarHBondContact ND2-O 2.71Å; N138-F140 WeakPolarHBondContact OD1-CB 3.31Å; N138-F140 WeakPolarHBondContact OD1-CD2 3.47Å; N138-F140 PolarHBondContact OD1-N 3.08Å; N138-H205 PolarHBondContact O-CD2 3.01Å; N138-H205 PolarHBondContact O-NE2 3.49Å; N138-H205 VanDerWaalsContact O-NE2 3.14Å; N138-I272 WeakPolarHBondContact CB-O 3.47Å; N138-I272 PolarHBondContact ND2-O 3.46Å; N138-L274 VanDerWaalsContact OD1-CD1 3.29Å; N138-L274 WeakPolarHBondContact OD1-CD1 3.37Å
139	P	93.3	Very high	94.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.128	C	C	.	.			trans	-76.3	-16.2	174.6	31.6	-37.4	0	0	0	113.7	I188 G204 H205 F246	P139-I188 HydrophobicContact CG-CD1 4.11Å; P139-I188 HydrophobicContact CG-CG1 4.45Å; P139-I188 HydrophobicContact CG-CG2 3.86Å; P139-G204 CarbonylContact O-C 3.58Å; P139-G204 VanDerWaalsContact O-CA 3.29Å; P139-G204 WeakPolarHBondContact O-CA 3.43Å; P139-H205 PolarHBondContact O-CD2 2.87Å; P139-H205 PolarHBondContact O-N 3.24Å; P139-F246 HydrophobicContact CB-CB 3.84Å; P139-F246 HydrophobicContact CB-CD2 3.52Å; P139-F246 HydrophobicContact CB-CE2 4.35Å; P139-F246 HydrophobicContact CB-CG 3.82Å; P139-F246 HydrophobicContact CG-CD2 4.22Å
140	F	93.8	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-99.8	125.5	-162.5	-55	-52.5	0	0	0	114.6	N138 V144 W148 I188 Y191 V203 H205 F246 L274 I277 A280 F284	N138-F140 VanDerWaalsContact C-N 3.32Å; N138-F140 PolarHBondContact ND2-O 2.71Å; N138-F140 WeakPolarHBondContact OD1-CB 3.31Å; N138-F140 WeakPolarHBondContact OD1-CD2 3.47Å; N138-F140 PolarHBondContact OD1-N 3.08Å; F140-V144 HydrophobicContact CB-CG1 4.1Å; F140-W148 HydrophobicContact CD1-CZ2 4.38Å; F140-W148 HydrophobicContact CD2-CH2 4.45Å; F140-W148 HydrophobicContact CE1-CZ2 4.35Å; F140-W148 HydrophobicContact CG-CH2 4.42Å; F140-I188 HydrophobicContact CE2-CG1 4.35Å; F140-I188 HydrophobicContact CZ-CG1 4.25Å; F140-Y191 HydrophobicContact CE1-CD1 4.2Å; F140-Y191 AromaticContact CE1-CE1 3.96Å; F140-Y191 HydrophobicContact CE1-CE1 3.96Å; F140-Y191 HydrophobicContact CZ-CD1 4.25Å; F140-Y191 HydrophobicContact CZ-CE1 4.34Å; F140-V203 HydrophobicContact CD1-CG1 3.41Å; F140-V203 VanDerWaalsContact CD1-CG1 3.41Å; F140-V203 HydrophobicContact CE1-CG1 3.6Å; F140-H205 PolarHBondContact O-NE2 3.2Å; F140-F246 HydrophobicContact CE1-CE1 4.46Å; F140-F246 HydrophobicContact CE1-CZ 4.3Å; F140-L274 HydrophobicContact CD2-CD1 3.69Å; F140-L274 HydrophobicContact CE2-CD1 4.17Å; F140-I277 HydrophobicContact CB-CD1 4.23Å; F140-I277 HydrophobicContact CB-CG1 4.18Å; F140-I277 HydrophobicContact CB-CG2 4.13Å; F140-I277 HydrophobicContact CD2-CG2 4.17Å; F140-I277 HydrophobicContact CG-CG2 4.38Å; F140-A280 HydrophobicContact CD2-CB 4.32Å; F140-A280 HydrophobicContact CE2-CB 4.28Å; F140-F284 HydrophobicContact CE2-CD2 4.06Å; F140-F284 AromaticContact CE2-CE2 3.38Å; F140-F284 HydrophobicContact CE2-CE2 3.38Å; F140-F284 AromaticContact CE2-CZ 3.87Å; F140-F284 HydrophobicContact CE2-CZ 3.87Å; F140-F284 HydrophobicContact CZ-CD2 4.47Å; F140-F284 HydrophobicContact CZ-CE1 4.43Å; F140-F284 AromaticContact CZ-CE2 3.53Å; F140-F284 HydrophobicContact CZ-CE2 3.53Å; F140-F284 AromaticContact CZ-CZ 3.48Å; F140-F284 HydrophobicContact CZ-CZ 3.48Å; F140-F284 VanDerWaalsContact CZ-CZ 3.48Å
141	S	93.1	Very high	94.1	Very high	16 Å²	16	35.2 Å²	35.2	11%	0.112	18%	0.181	C	C	.	.			trans	-71.6	154.3	168	62.2	0	0	0	0	112.4	N143 V144 V203 G204	S141-N143 PolarHBondContact O-N 3.36Å; S141-N143 VanDerWaalsContact O-N 3.14Å; S141-V144 WeakPolarHBondContact O-CB 3.4Å; S141-V144 VanDerWaalsContact O-CG1 3.32Å; S141-V144 WeakPolarHBondContact O-CG1 3.35Å; S141-V144 PolarHBondContact O-N 2.86Å; S141-V203 PolarHBondContact N-O 3.45Å; S141-G204 VanDerWaalsContact CB-O 3.24Å; S141-G204 WeakPolarHBondContact CB-O 3.14Å; S141-G204 PolarHBondContact OG-O 3.27Å
142	L	91	Very high	94.1	Very high	75 Å²	75	39.4 Å²	39.4	39%	0.393	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.4	176.1	-74.9	169.6	0	0	0	112.9	V144 N145 I272 K276 I277	L142-V144 PolarHBondContact O-N 3.33Å; L142-N145 PolarHBondContact O-N 3.27Å; L142-I272 HydrophobicContact CB-CD1 4.34Å; L142-I272 HydrophobicContact CD1-CD1 4.2Å; L142-I272 HydrophobicContact CD1-CG1 4.17Å; L142-I272 HydrophobicContact CD2-CG2 3.71Å; L142-I272 HydrophobicContact CG-CD1 3.77Å; L142-I272 HydrophobicContact CG-CG1 3.94Å; L142-I272 HydrophobicContact CG-CG2 3.77Å; L142-K276 HydrophobicContact CD2-CB 3.76Å; L142-K276 HydrophobicContact CD2-CD 4.2Å; L142-I277 HydrophobicContact CD2-CD1 4.28Å
143	N	92.3	Very high	93.9	Very high	108 Å²	108	39.4 Å²	39.4	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24	177.8	-166.2	31	0	0	0	112.6	S141 N145 G146 L147	S141-N143 PolarHBondContact O-N 3.36Å; S141-N143 VanDerWaalsContact O-N 3.14Å; N143-N145 PolarHBondContact O-N 2.93Å; N143-G146 PolarHBondContact O-N 3.47Å; N143-L147 PolarHBondContact O-N 3.14Å
144	V	94.4	Very high	93.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-29.6	-178.8	89.6	0	0	0	0	113	F140 S141 L142 G146 L147 W148 V203 I277	F140-V144 HydrophobicContact CB-CG1 4.1Å; S141-V144 WeakPolarHBondContact O-CB 3.4Å; S141-V144 VanDerWaalsContact O-CG1 3.32Å; S141-V144 WeakPolarHBondContact O-CG1 3.35Å; S141-V144 PolarHBondContact O-N 2.86Å; L142-V144 PolarHBondContact O-N 3.33Å; V144-G146 PolarHBondContact O-N 2.91Å; V144-L147 PolarHBondContact O-N 2.95Å; V144-W148 HydrophobicContact CB-CZ2 4.42Å; V144-W148 HydrophobicContact CG1-CD2 4.22Å; V144-W148 HydrophobicContact CG1-CE3 3.95Å; V144-W148 HydrophobicContact CG1-CH2 3.66Å; V144-W148 HydrophobicContact CG1-CZ2 3.93Å; V144-W148 HydrophobicContact CG1-CZ3 3.67Å; V144-W148 HydrophobicContact CG2-CD2 3.89Å; V144-W148 HydrophobicContact CG2-CE3 4.46Å; V144-W148 HydrophobicContact CG2-CG 4.36Å; V144-W148 HydrophobicContact CG2-CH2 4.2Å; V144-W148 HydrophobicContact CG2-CZ2 3.57Å; V144-W148 PolarHBondContact O-N 3.47Å; V144-V203 HydrophobicContact CG2-CB 4.24Å; V144-V203 HydrophobicContact CG2-CG1 4.01Å; V144-V203 HydrophobicContact CG2-CG2 3.93Å; V144-I277 HydrophobicContact CG1-CD1 4.27Å; V144-I277 HydrophobicContact CG1-CG2 3.77Å
145	N	93.9	Very high	93.7	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-36.6	175.4	-70.5	-26.2	0	0	0	111.2	L142 N143 K149 K276 I277 E278	L142-N145 PolarHBondContact O-N 3.27Å; N143-N145 PolarHBondContact O-N 2.93Å; N145-K149 WeakPolarHBondContact O-CB 3.49Å; N145-K149 PolarHBondContact O-N 3.37Å; N145-K276 PolarHBondContact ND2-O 3.38Å; N145-I277 WeakPolarHBondContact OD1-CA 3.27Å; N145-E278 PolarHBondContact OD1-N 3.41Å
146	G	94.8	Very high	93.6	Very high	25 Å²	25	42.7 Å²	42.7	26%	0.258	22%	0.224	S	C	.	.	H	α-helix	trans	-69.8	-52	172.1	0	0	0	0	0	112	N143 V144 W148 K149 E150	N143-G146 PolarHBondContact O-N 3.47Å; V144-G146 PolarHBondContact O-N 2.91Å; G146-W148 VanDerWaalsContact C-N 3.28Å; G146-W148 PolarHBondContact O-N 2.87Å; G146-K149 PolarHBondContact O-N 2.91Å; G146-E150 WeakPolarHBondContact O-CB 3.24Å; G146-E150 PolarHBondContact O-N 3.4Å
147	L	95.4	Very high	93.5	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-38.9	-178.1	-61	178.5	0	0	0	113.4	N143 V144 N151 I152 V153 K202	N143-L147 PolarHBondContact O-N 3.14Å; V144-L147 PolarHBondContact O-N 2.95Å; L147-N151 PolarHBondContact O-N 2.68Å; L147-I152 HydrophobicContact CD2-CB 4.24Å; L147-I152 HydrophobicContact CD2-CD1 4.14Å; L147-I152 HydrophobicContact CD2-CG2 4.11Å; L147-I152 PolarHBondContact O-N 3.41Å; L147-V153 HydrophobicContact CB-CB 4.49Å; L147-V153 HydrophobicContact CB-CG2 4.37Å; L147-V153 HydrophobicContact CD1-CG2 4.39Å; L147-V153 PolarHBondContact O-N 3.42Å; L147-K202 HydrophobicContact CD1-CB 3.89Å; L147-K202 WeakPolarHBondContact CD1-O 3.48Å
148	W	95.1	Very high	93.6	Very high	15 Å²	15	54 Å²	54	6%	0.057	27%	0.268	C	S	.	.	H	α-helix	trans	-74.7	-38.6	175.8	-67.1	-22.6	0	0	0	112.8	F140 V144 G146 E150 N151 P156 Y191 I277 G279	F140-W148 HydrophobicContact CD1-CZ2 4.38Å; F140-W148 HydrophobicContact CD2-CH2 4.45Å; F140-W148 HydrophobicContact CE1-CZ2 4.35Å; F140-W148 HydrophobicContact CG-CH2 4.42Å; V144-W148 HydrophobicContact CB-CZ2 4.42Å; V144-W148 HydrophobicContact CG1-CD2 4.22Å; V144-W148 HydrophobicContact CG1-CE3 3.95Å; V144-W148 HydrophobicContact CG1-CH2 3.66Å; V144-W148 HydrophobicContact CG1-CZ2 3.93Å; V144-W148 HydrophobicContact CG1-CZ3 3.67Å; V144-W148 HydrophobicContact CG2-CD2 3.89Å; V144-W148 HydrophobicContact CG2-CE3 4.46Å; V144-W148 HydrophobicContact CG2-CG 4.36Å; V144-W148 HydrophobicContact CG2-CH2 4.2Å; V144-W148 HydrophobicContact CG2-CZ2 3.57Å; V144-W148 PolarHBondContact O-N 3.47Å; G146-W148 VanDerWaalsContact C-N 3.28Å; G146-W148 PolarHBondContact O-N 2.87Å; W148-E150 VanDerWaalsContact C-N 3.33Å; W148-N151 PolarHBondContact O-N 3.34Å; W148-P156 HydrophobicContact CH2-CG 3.8Å; W148-P156 VanDerWaalsContact CZ2-CD 3.46Å; W148-P156 HydrophobicContact CZ2-CG 3.59Å; W148-P156 HydrophobicContact CZ3-CG 4.44Å; W148-Y191 HydrophobicContact CZ2-CE1 4.4Å; W148-Y191 PolarHBondContact NE1-OH 3.38Å; W148-I277 HydrophobicContact CH2-CG2 3.7Å; W148-I277 HydrophobicContact CZ3-CG2 3.51Å; W148-G279 VanDerWaalsContact CZ3-CA 3.48Å
149	K	93.6	Very high	93.7	Very high	174 Å²	174	53.8 Å²	53.8	76%	0.757	27%	0.267	S	S	*	.	H	α-helix	trans	-65.5	-37.5	177.6	-178.9	179.1	179.4	-179.3	0	112	N145 G146 N151	N145-K149 WeakPolarHBondContact O-CB 3.49Å; N145-K149 PolarHBondContact O-N 3.37Å; G146-K149 PolarHBondContact O-N 2.91Å; K149-N151 VanDerWaalsContact C-N 3.32Å; K149-N151 PolarHBondContact O-ND2 2.91Å
150	E	94.6	Very high	93.7	Very high	133 Å²	133	56.6 Å²	56.6	62%	0.621	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.2	177.8	-66.7	174.1	-169.9	0	0	112.9	G146 W148 I152	G146-E150 WeakPolarHBondContact O-CB 3.24Å; G146-E150 PolarHBondContact O-N 3.4Å; W148-E150 VanDerWaalsContact C-N 3.33Å; E150-I152 HydrophobicContact CB-CD1 3.97Å; E150-I152 HydrophobicContact CB-CG1 3.95Å; E150-I152 PolarHBondContact O-N 3.21Å; E150-I152 WeakPolarHBondContact OE2-CD1 3.47Å
151	N	92.8	Very high	93.7	Very high	98 Å²	98	59.6 Å²	59.6	52%	0.524	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	24.8	-176.6	-59.2	-95.9	0	0	0	114.2	L147 W148 K149 V153 Q158	L147-N151 PolarHBondContact O-N 2.68Å; W148-N151 PolarHBondContact O-N 3.34Å; K149-N151 VanDerWaalsContact C-N 3.32Å; K149-N151 PolarHBondContact O-ND2 2.91Å; N151-V153 VanDerWaalsContact C-N 3.26Å; N151-V153 PolarHBondContact O-N 2.86Å; N151-Q158 PolarHBondContact OD1-NE2 3.37Å
152	I	94.3	Very high	93.8	Very high	89 Å²	89	62.7 Å²	62.7	46%	0.456	31%	0.309	S	S	.	.	S	Bend	trans	-66.5	-33.3	173.8	-63.9	172	0	0	0	110.5	L147 E150	L147-I152 HydrophobicContact CD2-CB 4.24Å; L147-I152 HydrophobicContact CD2-CD1 4.14Å; L147-I152 HydrophobicContact CD2-CG2 4.11Å; L147-I152 PolarHBondContact O-N 3.41Å; E150-I152 HydrophobicContact CB-CD1 3.97Å; E150-I152 HydrophobicContact CB-CG1 3.95Å; E150-I152 PolarHBondContact O-N 3.21Å; E150-I152 WeakPolarHBondContact OE2-CD1 3.47Å
153	V	93.8	Very high	93.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-128.1	137.2	173.5	177.8	0	0	0	0	108.4	L147 N151 S155 L195 D199 K202 V203	L147-V153 HydrophobicContact CB-CB 4.49Å; L147-V153 HydrophobicContact CB-CG2 4.37Å; L147-V153 HydrophobicContact CD1-CG2 4.39Å; L147-V153 PolarHBondContact O-N 3.42Å; N151-V153 VanDerWaalsContact C-N 3.26Å; N151-V153 PolarHBondContact O-N 2.86Å; V153-S155 PolarHBondContact O-N 3.34Å; V153-L195 HydrophobicContact CG1-CD2 3.8Å; V153-D199 HydrophobicContact CG1-CB 4.06Å; V153-D199 HydrophobicContact CG2-CB 4.19Å; V153-K202 HydrophobicContact CG2-CD 4.2Å; V153-V203 HydrophobicContact CB-CG2 4.36Å; V153-V203 HydrophobicContact CG1-CG2 3.65Å; V153-V203 HydrophobicContact CG2-CG2 4.36Å
154	P	93.4	Very high	94	Very high	47 Å²	47	63.1 Å²	63.1	31%	0.305	30%	0.298	S	S	.	.			trans	-58.5	126.3	175.8	23.7	-35.1	0	0	0	111.3	I159 Y191 L195	P154-I159 HydrophobicContact CB-CD1 4.32Å; P154-I159 HydrophobicContact CG-CD1 4.31Å; P154-Y191 VanDerWaalsContact O-CE2 3.32Å; P154-Y191 WeakPolarHBondContact O-CE2 3.41Å; P154-Y191 PolarHBondContact O-OH 3.22Å; P154-L195 HydrophobicContact CG-CD2 3.74Å
155	S	94.4	Very high	94.1	Very high	18 Å²	18	66.6 Å²	66.6	13%	0.126	31%	0.314	C	S	.	.			trans	-69.2	155.3	176.8	64	0	0	0	0	112.1	V153 R157 Q158 I159	V153-S155 PolarHBondContact O-N 3.34Å; S155-R157 PolarHBondContact O-N 2.86Å; S155-Q158 WeakPolarHBondContact O-CB 3.32Å; S155-Q158 PolarHBondContact O-N 3.22Å; S155-Q158 VanDerWaalsContact OG-CD 3.31Å; S155-Q158 WeakPolarHBondContact OG-CG 3.32Å; S155-Q158 PolarHBondContact OG-N 3.3Å; S155-Q158 PolarHBondContact OG-OE1 3.48Å; S155-I159 PolarHBondContact O-N 3.35Å
156	P	94	Very high	94.2	Very high	4 Å²	4	65 Å²	65	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-53	-38.9	173.2	-29.7	37.3	0	0	0	112.2	W148 Q158 I159 K160 Y191 S283 F284	W148-P156 HydrophobicContact CH2-CG 3.8Å; W148-P156 VanDerWaalsContact CZ2-CD 3.46Å; W148-P156 HydrophobicContact CZ2-CG 3.59Å; W148-P156 HydrophobicContact CZ3-CG 4.44Å; P156-Q158 VanDerWaalsContact C-N 3.35Å; P156-Q158 PolarHBondContact O-N 3.19Å; P156-I159 PolarHBondContact O-N 3.42Å; P156-K160 WeakPolarHBondContact O-CB 3.46Å; P156-K160 PolarHBondContact O-N 3.23Å; P156-Y191 HydrophobicContact CB-CD2 4.4Å; P156-Y191 HydrophobicContact CB-CE2 4.38Å; P156-Y191 HydrophobicContact CG-CD2 4.26Å; P156-Y191 HydrophobicContact CG-CE1 4.4Å; P156-Y191 HydrophobicContact CG-CE2 3.91Å; P156-S283 WeakPolarHBondContact CB-OG 3.34Å; P156-F284 HydrophobicContact CB-CE1 4.26Å; P156-F284 HydrophobicContact CB-CE2 4.04Å; P156-F284 HydrophobicContact CB-CZ 3.66Å; P156-F284 HydrophobicContact CG-CE1 4.42Å; P156-F284 HydrophobicContact CG-CE2 3.73Å; P156-F284 HydrophobicContact CG-CZ 3.43Å; P156-F284 VanDerWaalsContact CG-CZ 3.43Å
157	R	92.4	Very high	94.2	Very high	191 Å²	191	64.9 Å²	64.9	72%	0.721	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-37.4	174.6	-176.2	176.7	175	-177.7	-1.4	113.5	S155 S161	S155-R157 PolarHBondContact O-N 2.86Å; R157-S161 WeakPolarHBondContact O-CB 3.28Å; R157-S161 PolarHBondContact O-N 2.71Å
158	Q	93.4	Very high	94.2	Very high	74 Å²	74	67 Å²	67	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-71.1	-42.9	177	-79	155.7	-39.8	0	0	111.6	N151 S155 P156 S161 R162	N151-Q158 PolarHBondContact OD1-NE2 3.37Å; S155-Q158 WeakPolarHBondContact O-CB 3.32Å; S155-Q158 PolarHBondContact O-N 3.22Å; S155-Q158 VanDerWaalsContact OG-CD 3.31Å; S155-Q158 WeakPolarHBondContact OG-CG 3.32Å; S155-Q158 PolarHBondContact OG-N 3.3Å; S155-Q158 PolarHBondContact OG-OE1 3.48Å; P156-Q158 VanDerWaalsContact C-N 3.35Å; P156-Q158 PolarHBondContact O-N 3.19Å; Q158-S161 PolarHBondContact O-N 2.89Å; Q158-R162 PolarHBondContact O-N 2.97Å
159	I	94.1	Very high	94.2	Very high	9 Å²	9	67 Å²	67	5%	0.046	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-43.3	175.3	-80	162.8	0	0	0	110.9	P154 S155 P156 S161 R162 L163 F190 Y191 N194 L195 L400	P154-I159 HydrophobicContact CB-CD1 4.32Å; P154-I159 HydrophobicContact CG-CD1 4.31Å; S155-I159 PolarHBondContact O-N 3.35Å; P156-I159 PolarHBondContact O-N 3.42Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 2.93Å; I159-R162 PolarHBondContact O-N 2.99Å; I159-R162 VanDerWaalsContact O-N 3.12Å; I159-L163 WeakPolarHBondContact O-CB 3.16Å; I159-L163 PolarHBondContact O-N 3.38Å; I159-F190 HydrophobicContact CG2-CD1 4.25Å; I159-F190 HydrophobicContact CG2-CE1 3.88Å; I159-Y191 HydrophobicContact CB-CD2 4.35Å; I159-Y191 HydrophobicContact CD1-CD2 3.54Å; I159-Y191 HydrophobicContact CD1-CE2 3.63Å; I159-N194 HydrophobicContact CD1-CB 3.63Å; I159-N194 HydrophobicContact CG1-CB 4.12Å; I159-N194 HydrophobicContact CG2-CB 4.14Å; I159-L195 HydrophobicContact CD1-CD2 4.42Å; I159-L400 HydrophobicContact CG2-CD1 4.29Å
160	K	92.8	Very high	94.3	Very high	61 Å²	61	58.9 Å²	58.9	27%	0.265	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-34	172.9	-172.2	166.4	179.5	167	0	113	P156 R164 D186 T282	P156-K160 WeakPolarHBondContact O-CB 3.46Å; P156-K160 PolarHBondContact O-N 3.23Å; K160-R164 PolarHBondContact O-N 2.89Å; K160-D186 VanDerWaalsContact CE-OD2 3.29Å; K160-D186 WeakPolarHBondContact CE-OD2 3.24Å; K160-D186 IonicContact NZ-OD2 3.54Å; K160-D186 PolarHBondContact NZ-OD2 3.49Å; K160-T282 PolarHBondContact NZ-O 2.89Å
161	S	93.7	Very high	94.3	Very high	62 Å²	62	57.7 Å²	57.7	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-40.1	172.8	-167.3	0	0	0	0	112.9	R157 Q158 I159 R164 Q165	R157-S161 WeakPolarHBondContact O-CB 3.28Å; R157-S161 PolarHBondContact O-N 2.71Å; Q158-S161 PolarHBondContact O-N 2.89Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 2.93Å; S161-R164 PolarHBondContact O-N 2.92Å; S161-Q165 WeakPolarHBondContact O-CG 3.4Å; S161-Q165 PolarHBondContact O-N 3.26Å
162	R	95.2	Very high	94.3	Very high	82 Å²	82	59.1 Å²	59.1	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-70.1	-36.5	175.6	-71.9	-177.4	69.6	-143.7	-1.5	112.3	Q158 I159 Q165 L166 L400 P401 I402 V404	Q158-R162 PolarHBondContact O-N 2.97Å; I159-R162 PolarHBondContact O-N 2.99Å; I159-R162 VanDerWaalsContact O-N 3.12Å; R162-Q165 WeakPolarHBondContact O-CB 3.18Å; R162-Q165 PolarHBondContact O-N 3.43Å; R162-L166 PolarHBondContact O-N 3.45Å; R162-L400 HydrophobicContact CB-CD1 3.83Å; R162-P401 PolarHBondContact NH2-O 2.89Å; R162-I402 PolarHBondContact NH2-O 2.66Å; R162-V404 HydrophobicContact CB-CG1 4.3Å; R162-V404 HydrophobicContact CB-CG2 4.21Å; R162-V404 HydrophobicContact CG-CG2 4.31Å
163	L	94.8	Very high	94.3	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-49.1	170.4	177.1	60.2	0	0	0	110.9	I159 Q165 L166 L167 L182 F190 L400	I159-L163 WeakPolarHBondContact O-CB 3.16Å; I159-L163 PolarHBondContact O-N 3.38Å; L163-Q165 VanDerWaalsContact C-N 3.32Å; L163-Q165 PolarHBondContact O-N 2.96Å; L163-L166 PolarHBondContact O-N 2.9Å; L163-L167 HydrophobicContact CD1-CD1 4.09Å; L163-L167 HydrophobicContact CD1-CG 4.36Å; L163-L167 HydrophobicContact CG-CD1 3.95Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 3.31Å; L163-L182 HydrophobicContact CD1-CD1 3.51Å; L163-L182 HydrophobicContact CD1-CD2 4.45Å; L163-L182 HydrophobicContact CD1-CG 3.65Å; L163-F190 HydrophobicContact CB-CE1 4.42Å; L163-F190 HydrophobicContact CD1-CE1 4.29Å; L163-F190 HydrophobicContact CD1-CZ 3.9Å; L163-F190 HydrophobicContact CD2-CE1 3.97Å; L163-F190 HydrophobicContact CD2-CZ 4.37Å; L163-F190 HydrophobicContact CG-CE1 4.47Å; L163-L400 HydrophobicContact CB-CD1 4.37Å; L163-L400 HydrophobicContact CD1-CD2 4.22Å
164	R	94.3	Very high	94.2	Very high	184 Å²	184	61.4 Å²	61.4	69%	0.694	31%	0.31	S	S	*	.	H	α-helix	trans	-59.1	-40.3	174.8	178.6	175.8	172.5	162.5	0.3	112.9	K160 S161 L167 V168	K160-R164 PolarHBondContact O-N 2.89Å; S161-R164 PolarHBondContact O-N 2.92Å; R164-L167 PolarHBondContact O-N 3.44Å; R164-V168 WeakPolarHBondContact O-CG2 3.5Å; R164-V168 PolarHBondContact O-N 2.86Å
165	Q	95.6	Very high	94.1	Very high	74 Å²	74	59.9 Å²	59.9	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-43.9	176.5	-80.7	167	-30.8	0	0	112.2	S161 R162 L163 V168 T169 V404 N405	S161-Q165 WeakPolarHBondContact O-CG 3.4Å; S161-Q165 PolarHBondContact O-N 3.26Å; R162-Q165 WeakPolarHBondContact O-CB 3.18Å; R162-Q165 PolarHBondContact O-N 3.43Å; L163-Q165 VanDerWaalsContact C-N 3.32Å; L163-Q165 PolarHBondContact O-N 2.96Å; Q165-V168 PolarHBondContact O-N 2.99Å; Q165-T169 WeakPolarHBondContact O-CB 3.41Å; Q165-T169 PolarHBondContact O-N 3.49Å; Q165-T169 PolarHBondContact O-OG1 3.46Å; Q165-V404 CarbonylContact C-O 3.57Å; Q165-V404 HydrophobicContact CB-CB 4.24Å; Q165-V404 HydrophobicContact CB-CG2 3.78Å; Q165-N405 WeakPolarHBondContact CB-OD1 3.42Å; Q165-N405 WeakPolarHBondContact CG-OD1 3.47Å
166	L	95.7	Very high	93.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-43.4	175.7	-174.2	62.3	0	0	0	112.1	R162 L163 T169 M170 L182 L400 P401 V404 A410 M413	R162-L166 PolarHBondContact O-N 3.45Å; L163-L166 PolarHBondContact O-N 2.9Å; L166-T169 PolarHBondContact O-N 3.01Å; L166-M170 HydrophobicContact CD1-CE 4.35Å; L166-M170 HydrophobicContact CD2-CE 4.34Å; L166-M170 HydrophobicContact CG-CE 4.14Å; L166-M170 HydrophobicContact CG-SD 4.28Å; L166-M170 WeakPolarHBondContact O-CG 3.46Å; L166-M170 PolarHBondContact O-N 3.41Å; L166-L182 HydrophobicContact CD2-CD2 4.08Å; L166-L400 HydrophobicContact CB-CD2 4.41Å; L166-L400 HydrophobicContact CD2-CD2 3.5Å; L166-P401 HydrophobicContact CD1-CG 3.9Å; L166-P401 HydrophobicContact CD2-CG 4.14Å; L166-V404 WeakPolarHBondContact CA-O 3.35Å; L166-V404 HydrophobicContact CB-CB 4.1Å; L166-V404 HydrophobicContact CB-CG1 4.19Å; L166-V404 PolarHBondContact N-O 2.95Å; L166-A410 HydrophobicContact CD1-CB 4.33Å; L166-M413 HydrophobicContact CD2-CB 4.12Å; L166-M413 HydrophobicContact CD2-CG 3.9Å; L166-M413 HydrophobicContact CD2-SD 4.31Å
167	L	95.2	Very high	93.6	Very high	22 Å²	22	67.1 Å²	67.1	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-39.9	178.8	-69.9	164.9	0	0	0	112.6	L163 R164 M170 L171 T179 L182 A183	L163-L167 HydrophobicContact CD1-CD1 4.09Å; L163-L167 HydrophobicContact CD1-CG 4.36Å; L163-L167 HydrophobicContact CG-CD1 3.95Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 3.31Å; R164-L167 PolarHBondContact O-N 3.44Å; L167-M170 PolarHBondContact O-N 3.03Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.38Å; L167-T179 HydrophobicContact CD2-CG2 3.83Å; L167-T179 WeakPolarHBondContact CD2-O 3.38Å; L167-L182 HydrophobicContact CD2-CB 3.92Å; L167-L182 HydrophobicContact CD2-CD2 4.08Å; L167-L182 HydrophobicContact CD2-CG 3.87Å; L167-L182 HydrophobicContact CG-CG 4.49Å; L167-A183 HydrophobicContact CD1-CB 4.03Å; L167-A183 HydrophobicContact CD2-CB 4.2Å
168	V	95.3	Very high	93.4	Very high	64 Å²	64	61.7 Å²	61.7	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-47.8	171.8	170.3	0	0	0	0	110.2	R164 Q165 M170 L171 D172	R164-V168 WeakPolarHBondContact O-CG2 3.5Å; R164-V168 PolarHBondContact O-N 2.86Å; Q165-V168 PolarHBondContact O-N 2.99Å; V168-M170 VanDerWaalsContact C-N 3.29Å; V168-M170 PolarHBondContact O-N 2.96Å; V168-L171 PolarHBondContact O-N 3.36Å; V168-D172 WeakPolarHBondContact CG1-OD2 3.39Å; V168-D172 WeakPolarHBondContact O-CB 3.38Å; V168-D172 PolarHBondContact O-N 3.23Å
169	T	95.1	Very high	93.1	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-35.2	178.8	-52.9	0	0	0	0	112.7	Q165 L166 N173 V404 A410	Q165-T169 WeakPolarHBondContact O-CB 3.41Å; Q165-T169 PolarHBondContact O-N 3.49Å; Q165-T169 PolarHBondContact O-OG1 3.46Å; L166-T169 PolarHBondContact O-N 3.01Å; T169-N173 PolarHBondContact O-N 2.95Å; T169-N173 PolarHBondContact O-ND2 3.02Å; T169-V404 PolarHBondContact OG1-O 3.44Å; T169-A410 HydrophobicContact CG2-CB 4.32Å
170	M	95.1	Very high	92.9	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-51.1	172.7	-76.8	172.9	164.1	0	0	111.6	L166 L167 V168 N173 G174 I175 T179 L182 A410 M413	L166-M170 HydrophobicContact CD1-CE 4.35Å; L166-M170 HydrophobicContact CD2-CE 4.34Å; L166-M170 HydrophobicContact CG-CE 4.14Å; L166-M170 HydrophobicContact CG-SD 4.28Å; L166-M170 WeakPolarHBondContact O-CG 3.46Å; L166-M170 PolarHBondContact O-N 3.41Å; L167-M170 PolarHBondContact O-N 3.03Å; V168-M170 VanDerWaalsContact C-N 3.29Å; V168-M170 PolarHBondContact O-N 2.96Å; M170-N173 CarbonylContact O-C 3.55Å; M170-N173 PolarHBondContact O-N 2.89Å; M170-G174 PolarHBondContact O-N 2.92Å; M170-G174 VanDerWaalsContact O-N 3.15Å; M170-I175 HydrophobicContact CB-CB 4.06Å; M170-I175 HydrophobicContact CB-CG2 4.25Å; M170-I175 HydrophobicContact CG-CB 4.31Å; M170-I175 HydrophobicContact CG-CG2 4.13Å; M170-I175 PolarHBondContact O-N 3.3Å; M170-T179 HydrophobicContact CB-CG2 4.23Å; M170-L182 HydrophobicContact CE-CD2 3.94Å; M170-L182 HydrophobicContact SD-CD2 3.78Å; M170-A410 WeakPolarHBondContact CE-O 3.43Å; M170-A410 HydrophobicContact CG-CB 3.79Å; M170-M413 HydrophobicContact CE-CB 3.68Å; M170-M413 HydrophobicContact CE-CG 3.85Å
171	L	94.2	Very high	92.6	Very high	108 Å²	108	61.5 Å²	61.5	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-43.8	-179	-69.3	169.7	0	0	0	112.6	L167 V168 N173 G174 T179	L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.38Å; V168-L171 PolarHBondContact O-N 3.36Å; L171-N173 PolarHBondContact O-N 3.1Å; L171-G174 PolarHBondContact O-N 3.45Å; L171-T179 HydrophobicContact CD2-CG2 3.99Å; L171-T179 HydrophobicContact CG-CG2 4.06Å
172	D	94.4	Very high	92.6	Very high	129 Å²	129	58.8 Å²	58.8	69%	0.69	32%	0.316	S	S	*	.	H	α-helix	trans	-63.6	-27.6	179.4	-71.8	-16.1	0	0	0	112.4	V168	V168-D172 WeakPolarHBondContact CG1-OD2 3.39Å; V168-D172 WeakPolarHBondContact O-CB 3.38Å; V168-D172 PolarHBondContact O-N 3.23Å
173	N	93.4	Very high	92.3	Very high	80 Å²	80	57.4 Å²	57.4	43%	0.428	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.2	175.3	-67.8	-75.4	0	0	0	113.5	T169 M170 L171 I175 I407	T169-N173 PolarHBondContact O-N 2.95Å; T169-N173 PolarHBondContact O-ND2 3.02Å; M170-N173 CarbonylContact O-C 3.55Å; M170-N173 PolarHBondContact O-N 2.89Å; L171-N173 PolarHBondContact O-N 3.1Å; N173-I175 VanDerWaalsContact C-N 3.29Å; N173-I175 PolarHBondContact O-N 3.43Å; N173-I407 HydrophobicContact CB-CD1 4.19Å; N173-I407 HydrophobicContact CB-CG1 4.3Å
174	G	91.5	Very high	92	Very high	56 Å²	56	63.5 Å²	63.5	58%	0.577	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	14.7	177	0	0	0	0	0	115.4	M170 L171 T176	M170-G174 PolarHBondContact O-N 2.92Å; M170-G174 VanDerWaalsContact O-N 3.15Å; L171-G174 PolarHBondContact O-N 3.45Å; G174-T176 PolarHBondContact O-N 3.39Å
175	I	91.7	Very high	91.8	Very high	16 Å²	16	56 Å²	56	8%	0.082	32%	0.324	C	S	.	.			trans	-77.7	105.2	172.5	-64.2	167.4	0	0	0	107.9	M170 N173 T179 A410 E411 K414	M170-I175 HydrophobicContact CB-CB 4.06Å; M170-I175 HydrophobicContact CB-CG2 4.25Å; M170-I175 HydrophobicContact CG-CB 4.31Å; M170-I175 HydrophobicContact CG-CG2 4.13Å; M170-I175 PolarHBondContact O-N 3.3Å; N173-I175 VanDerWaalsContact C-N 3.29Å; N173-I175 PolarHBondContact O-N 3.43Å; I175-T179 PolarHBondContact O-OG1 2.95Å; I175-T179 VanDerWaalsContact O-OG1 3.05Å; I175-A410 HydrophobicContact CD1-CB 3.8Å; I175-E411 HydrophobicContact CD1-CG 4.29Å; I175-K414 HydrophobicContact CG2-CD 4.05Å
176	T	90.2	Very high	91.6	Very high	98 Å²	98	53.4 Å²	53.4	60%	0.601	31%	0.312	S	S	*	.			trans	-95.8	-28.4	176.4	49.4	0	0	0	0	113.2	G174 Y178 T179	G174-T176 PolarHBondContact O-N 3.39Å; T176-Y178 PolarHBondContact O-N 3.18Å; T176-T179 WeakPolarHBondContact O-CB 3.43Å; T176-T179 PolarHBondContact O-N 3.39Å
177	D	88	Confident	91.4	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	134	-173.3	-47.4	-39.7	0	0	0	110.4	T179 K414	D177-T179 PolarHBondContact O-N 2.86Å; D177-T179 PolarHBondContact O-OG1 2.95Å; D177-K414 WeakPolarHBondContact OD2-CE 3.27Å; D177-K414 IonicContact OD2-NZ 2.71Å; D177-K414 PolarHBondContact OD2-NZ 3.3Å
178	Y	87.6	Confident	91.3	Very high	78 Å²	78	54 Å²	54	31%	0.306	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-2.2	-173.7	-52.9	-71.3	0	0	0	116.7	T176 G180 D181 L182 L417 D418	T176-Y178 PolarHBondContact O-N 3.18Å; Y178-G180 VanDerWaalsContact C-N 3.29Å; Y178-G180 PolarHBondContact O-N 3.05Å; Y178-D181 PolarHBondContact O-N 3.24Å; Y178-L182 WeakPolarHBondContact O-CB 3.3Å; Y178-L182 PolarHBondContact O-N 3.05Å; Y178-L417 HydrophobicContact CD1-CB 4.47Å; Y178-L417 HydrophobicContact CD2-CB 3.86Å; Y178-L417 HydrophobicContact CE2-CB 4.3Å; Y178-L417 HydrophobicContact CG-CB 3.96Å; Y178-L417 HydrophobicContact CG-CD1 4.25Å; Y178-D418 HydrophobicContact CE2-CB 3.96Å
179	T	87.9	Confident	91.2	Very high	10 Å²	10	53.6 Å²	53.6	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-70	-29.6	-174.7	-61.9	0	0	0	0	111.4	L167 M170 L171 I175 T176 D177 A183	L167-T179 HydrophobicContact CD2-CG2 3.83Å; L167-T179 WeakPolarHBondContact CD2-O 3.38Å; M170-T179 HydrophobicContact CB-CG2 4.23Å; L171-T179 HydrophobicContact CD2-CG2 3.99Å; L171-T179 HydrophobicContact CG-CG2 4.06Å; I175-T179 PolarHBondContact O-OG1 2.95Å; I175-T179 VanDerWaalsContact O-OG1 3.05Å; T176-T179 WeakPolarHBondContact O-CB 3.43Å; T176-T179 PolarHBondContact O-N 3.39Å; D177-T179 PolarHBondContact O-N 2.86Å; D177-T179 PolarHBondContact O-OG1 2.95Å; T179-A183 WeakPolarHBondContact O-CB 3.47Å; T179-A183 PolarHBondContact O-N 3.07Å
180	G	88.2	Confident	91.2	Very high	41 Å²	41	53.1 Å²	53.1	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-66.8	-49.3	169.6	0	0	0	0	0	113	Y178 L182 A183 F184	Y178-G180 VanDerWaalsContact C-N 3.29Å; Y178-G180 PolarHBondContact O-N 3.05Å; G180-L182 VanDerWaalsContact C-N 3.31Å; G180-L182 PolarHBondContact O-N 2.91Å; G180-A183 WeakPolarHBondContact O-CB 3.16Å; G180-A183 PolarHBondContact O-N 3.12Å; G180-F184 VanDerWaalsContact O-CD2 3.23Å; G180-F184 WeakPolarHBondContact O-CD2 3.27Å; G180-F184 PolarHBondContact O-N 3.3Å
181	D	88.4	Confident	91.2	Very high	89 Å²	89	53.2 Å²	53.2	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-39.7	179.3	-49	-53.5	0	0	0	111.3	Y178 F184 S185	Y178-D181 PolarHBondContact O-N 3.24Å; D181-F184 CarbonylContact O-C 3.39Å; D181-F184 PolarHBondContact O-N 3.33Å; D181-F184 VanDerWaalsContact O-N 3.15Å; D181-S185 PolarHBondContact O-N 2.87Å; D181-S185 VanDerWaalsContact O-N 3.15Å; D181-S185 PolarHBondContact O-OG 3.26Å
182	L	92.1	Very high	91.3	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-34.4	177.5	-172.5	58.3	0	0	0	112	L163 L166 L167 M170 Y178 G180 F184 S185 F190 M413	L163-L182 HydrophobicContact CD1-CD1 3.51Å; L163-L182 HydrophobicContact CD1-CD2 4.45Å; L163-L182 HydrophobicContact CD1-CG 3.65Å; L166-L182 HydrophobicContact CD2-CD2 4.08Å; L167-L182 HydrophobicContact CD2-CB 3.92Å; L167-L182 HydrophobicContact CD2-CD2 4.08Å; L167-L182 HydrophobicContact CD2-CG 3.87Å; L167-L182 HydrophobicContact CG-CG 4.49Å; M170-L182 HydrophobicContact CE-CD2 3.94Å; M170-L182 HydrophobicContact SD-CD2 3.78Å; Y178-L182 WeakPolarHBondContact O-CB 3.3Å; Y178-L182 PolarHBondContact O-N 3.05Å; G180-L182 VanDerWaalsContact C-N 3.31Å; G180-L182 PolarHBondContact O-N 2.91Å; L182-F184 PolarHBondContact O-N 3.07Å; L182-S185 WeakPolarHBondContact O-CB 3.3Å; L182-S185 PolarHBondContact O-N 2.86Å; L182-F190 HydrophobicContact CD1-CE2 4.1Å; L182-F190 HydrophobicContact CD1-CZ 4.41Å; L182-M413 HydrophobicContact CD1-CE 3.88Å; L182-M413 HydrophobicContact CD2-CE 4.37Å; L182-M413 HydrophobicContact CD2-CG 4.21Å
183	A	90.3	Very high	91.2	Very high	53 Å²	53	42 Å²	42	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-23.6	171.4	0	0	0	0	0	113.3	L167 T179 G180	L167-A183 HydrophobicContact CD1-CB 4.03Å; L167-A183 HydrophobicContact CD2-CB 4.2Å; T179-A183 WeakPolarHBondContact O-CB 3.47Å; T179-A183 PolarHBondContact O-N 3.07Å; G180-A183 WeakPolarHBondContact O-CB 3.16Å; G180-A183 PolarHBondContact O-N 3.12Å
184	F	88.3	Confident	91.3	Very high	135 Å²	135	38.9 Å²	38.9	59%	0.592	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	2.5	175.9	-65.5	-45.2	0	0	0	114.2	G180 D181 L182 D186 M286	G180-F184 VanDerWaalsContact O-CD2 3.23Å; G180-F184 WeakPolarHBondContact O-CD2 3.27Å; G180-F184 PolarHBondContact O-N 3.3Å; D181-F184 CarbonylContact O-C 3.39Å; D181-F184 PolarHBondContact O-N 3.33Å; D181-F184 VanDerWaalsContact O-N 3.15Å; L182-F184 PolarHBondContact O-N 3.07Å; F184-D186 PolarHBondContact O-N 3.2Å; F184-M286 HydrophobicContact CB-CE 3.54Å; F184-M286 HydrophobicContact CD1-CE 3.27Å; F184-M286 HydrophobicContact CE1-CE 4.1Å; F184-M286 HydrophobicContact CG-CE 3.56Å; F184-M286 WeakPolarHBondContact O-CG 3.4Å
185	S	89.9	Confident	91.4	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	21%	0.205	C	C	.	.			trans	-79.5	26.7	179.4	-61.8	0	0	0	0	114.6	D181 L182 S187 F190	D181-S185 PolarHBondContact O-N 2.87Å; D181-S185 VanDerWaalsContact O-N 3.15Å; D181-S185 PolarHBondContact O-OG 3.26Å; L182-S185 WeakPolarHBondContact O-CB 3.3Å; L182-S185 PolarHBondContact O-N 2.86Å; S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact O-N 2.79Å; S185-F190 WeakPolarHBondContact O-CB 3.22Å; S185-F190 WeakPolarHBondContact O-CD1 3.16Å; S185-F190 WeakPolarHBondContact O-CG 3.35Å
186	D	90	Very high	91.3	Very high	19 Å²	19	39 Å²	39	10%	0.102	22%	0.219	C	C	.	.			trans	-80.9	76.7	171.5	-177.9	28.7	0	0	0	110	K160 F184 F284 I285 M286	K160-D186 VanDerWaalsContact CE-OD2 3.29Å; K160-D186 WeakPolarHBondContact CE-OD2 3.24Å; K160-D186 IonicContact NZ-OD2 3.54Å; K160-D186 PolarHBondContact NZ-OD2 3.49Å; F184-D186 PolarHBondContact O-N 3.2Å; D186-F284 VanDerWaalsContact CG-N 3.31Å; D186-F284 CarbonylContact O-C 3.52Å; D186-F284 VanDerWaalsContact O-CA 3.27Å; D186-F284 WeakPolarHBondContact O-CA 3.35Å; D186-F284 PolarHBondContact OD1-N 2.93Å; D186-F284 PolarHBondContact OD2-N 3.45Å; D186-I285 PolarHBondContact O-N 3.3Å; D186-I285 WeakPolarHBondContact OD2-CG1 3.05Å; D186-I285 PolarHBondContact OD2-N 3.45Å; D186-M286 PolarHBondContact O-N 3.29Å
187	S	93	Very high	91.1	Very high	22 Å²	22	37.8 Å²	37.8	15%	0.154	21%	0.209	C	C	.	.	S	Bend	trans	-134.7	162.6	179.9	73.7	0	0	0	0	113.9	S185 E189 F190 Y191 F284 D287	S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact O-N 2.79Å; S187-E189 VanDerWaalsContact C-N 3.32Å; S187-E189 PolarHBondContact O-N 3.03Å; S187-F190 PolarHBondContact O-N 3.46Å; S187-F190 PolarHBondContact OG-N 2.95Å; S187-Y191 PolarHBondContact O-N 3.29Å; S187-F284 VanDerWaalsContact C-CD1 3.48Å; S187-D287 WeakPolarHBondContact CA-OD2 3.22Å
188	I	93.5	Very high	91.2	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-41.5	175.9	-73	164	0	0	0	110.9	P139 F140 Y191 Y192 K244 F246 F284 D287	P139-I188 HydrophobicContact CG-CD1 4.11Å; P139-I188 HydrophobicContact CG-CG1 4.45Å; P139-I188 HydrophobicContact CG-CG2 3.86Å; F140-I188 HydrophobicContact CE2-CG1 4.35Å; F140-I188 HydrophobicContact CZ-CG1 4.25Å; I188-Y191 PolarHBondContact O-N 2.86Å; I188-Y192 PolarHBondContact O-N 3.34Å; I188-K244 VanDerWaalsContact CG2-O 3.3Å; I188-K244 WeakPolarHBondContact CG2-O 3.29Å; I188-F246 HydrophobicContact CG2-CD2 4.24Å; I188-F246 HydrophobicContact CG2-CE2 3.77Å; I188-F284 HydrophobicContact CB-CD1 4.43Å; I188-F284 HydrophobicContact CG1-CB 4.29Å; I188-F284 HydrophobicContact CG1-CD1 3.71Å; I188-F284 HydrophobicContact CG1-CD2 4.22Å; I188-F284 HydrophobicContact CG1-CE1 3.99Å; I188-F284 HydrophobicContact CG1-CE2 4.48Å; I188-F284 HydrophobicContact CG1-CG 3.81Å; I188-F284 HydrophobicContact CG1-CZ 4.35Å; I188-D287 HydrophobicContact CD1-CB 4.31Å; I188-D287 WeakPolarHBondContact CG1-OD2 3.19Å; I188-D287 PolarHBondContact N-OD2 3.22Å
189	E	93.1	Very high	91.5	Very high	55 Å²	55	36.1 Å²	36.1	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-42.8	177.1	-66.4	170.8	-166	0	0	110.9	S187 Y192 T193 K244	S187-E189 VanDerWaalsContact C-N 3.32Å; S187-E189 PolarHBondContact O-N 3.03Å; E189-Y192 WeakPolarHBondContact O-CB 3.36Å; E189-Y192 PolarHBondContact O-N 2.89Å; E189-T193 WeakPolarHBondContact O-CG2 3.19Å; E189-T193 PolarHBondContact O-N 2.92Å; E189-T193 VanDerWaalsContact O-N 3.08Å; E189-K244 HydrophobicContact CG-CB 3.93Å; E189-K244 HydrophobicContact CG-CG 4.15Å; E189-K244 WeakPolarHBondContact OE1-CD 3.04Å; E189-K244 WeakPolarHBondContact OE1-CE 3.45Å; E189-K244 WeakPolarHBondContact OE1-CG 3.41Å; E189-K244 IonicContact OE1-NZ 3.69Å; E189-K244 PolarHBondContact OE1-NZ 3.08Å
190	F	94.6	Very high	91.7	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-41.8	174.2	-178.5	-98.4	0	0	0	112.1	I159 L163 L182 S185 S187 T193 N194 Q398 L400	I159-F190 HydrophobicContact CG2-CD1 4.25Å; I159-F190 HydrophobicContact CG2-CE1 3.88Å; L163-F190 HydrophobicContact CB-CE1 4.42Å; L163-F190 HydrophobicContact CD1-CE1 4.29Å; L163-F190 HydrophobicContact CD1-CZ 3.9Å; L163-F190 HydrophobicContact CD2-CE1 3.97Å; L163-F190 HydrophobicContact CD2-CZ 4.37Å; L163-F190 HydrophobicContact CG-CE1 4.47Å; L182-F190 HydrophobicContact CD1-CE2 4.1Å; L182-F190 HydrophobicContact CD1-CZ 4.41Å; S185-F190 WeakPolarHBondContact O-CB 3.22Å; S185-F190 WeakPolarHBondContact O-CD1 3.16Å; S185-F190 WeakPolarHBondContact O-CG 3.35Å; S187-F190 PolarHBondContact O-N 3.46Å; S187-F190 PolarHBondContact OG-N 2.95Å; F190-T193 PolarHBondContact O-N 3.44Å; F190-T193 PolarHBondContact O-OG1 3.05Å; F190-N194 WeakPolarHBondContact CE1-ND2 3.43Å; F190-N194 WeakPolarHBondContact CZ-ND2 3.38Å; F190-N194 PolarHBondContact O-N 2.88Å; F190-N194 PolarHBondContact O-ND2 3.45Å; F190-Q398 HydrophobicContact CD2-CB 4.09Å; F190-Q398 HydrophobicContact CE2-CB 4.25Å; F190-Q398 VanDerWaalsContact CE2-O 3.28Å; F190-Q398 WeakPolarHBondContact CE2-O 3.4Å; F190-L400 HydrophobicContact CE1-CD1 4.37Å; F190-L400 HydrophobicContact CE1-CG 4.49Å; F190-L400 HydrophobicContact CZ-CD1 4.23Å; F190-L400 HydrophobicContact CZ-CD2 4Å; F190-L400 HydrophobicContact CZ-CG 3.89Å
191	Y	95.3	Very high	92	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-43.7	174.4	176.9	-110.5	0	0	0	111.7	F140 W148 P154 P156 I159 S187 I188 T193 N194 L195 V203 F246 F284	F140-Y191 HydrophobicContact CE1-CD1 4.2Å; F140-Y191 AromaticContact CE1-CE1 3.96Å; F140-Y191 HydrophobicContact CE1-CE1 3.96Å; F140-Y191 HydrophobicContact CZ-CD1 4.25Å; F140-Y191 HydrophobicContact CZ-CE1 4.34Å; W148-Y191 HydrophobicContact CZ2-CE1 4.4Å; W148-Y191 PolarHBondContact NE1-OH 3.38Å; P154-Y191 VanDerWaalsContact O-CE2 3.32Å; P154-Y191 WeakPolarHBondContact O-CE2 3.41Å; P154-Y191 PolarHBondContact O-OH 3.22Å; P156-Y191 HydrophobicContact CB-CD2 4.4Å; P156-Y191 HydrophobicContact CB-CE2 4.38Å; P156-Y191 HydrophobicContact CG-CD2 4.26Å; P156-Y191 HydrophobicContact CG-CE1 4.4Å; P156-Y191 HydrophobicContact CG-CE2 3.91Å; I159-Y191 HydrophobicContact CB-CD2 4.35Å; I159-Y191 HydrophobicContact CD1-CD2 3.54Å; I159-Y191 HydrophobicContact CD1-CE2 3.63Å; S187-Y191 PolarHBondContact O-N 3.29Å; I188-Y191 PolarHBondContact O-N 2.86Å; Y191-T193 PolarHBondContact O-N 3.2Å; Y191-N194 PolarHBondContact O-N 2.04Å; Y191-L195 HydrophobicContact CD1-CD1 4.36Å; Y191-L195 HydrophobicContact CE1-CD1 3.87Å; Y191-L195 HydrophobicContact CE1-CG 4.44Å; Y191-L195 HydrophobicContact CE2-CD2 4.24Å; Y191-L195 PolarHBondContact O-N 2.7Å; Y191-V203 HydrophobicContact CE1-CG1 4.32Å; Y191-F246 AromaticContact CD1-CZ 3.81Å; Y191-F246 HydrophobicContact CD1-CZ 3.81Å; Y191-F246 HydrophobicContact CE1-CE1 4.41Å; Y191-F246 HydrophobicContact CE1-CZ 4.13Å; Y191-F284 HydrophobicContact CD1-CE1 4.23Å; Y191-F284 AromaticContact CD1-CZ 3.96Å; Y191-F284 HydrophobicContact CD1-CZ 3.96Å; Y191-F284 AromaticContact CG-CE1 3.97Å; Y191-F284 HydrophobicContact CG-CE1 3.97Å; Y191-F284 HydrophobicContact CG-CZ 4.05Å
192	Y	94.8	Very high	92.2	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-55.1	-47.9	173.7	-179.3	-86.8	0	0	0	112.3	I188 E189 N194 L195 T200 T241 P243 F246 R383 Y396	I188-Y192 PolarHBondContact O-N 3.34Å; E189-Y192 WeakPolarHBondContact O-CB 3.36Å; E189-Y192 PolarHBondContact O-N 2.89Å; Y192-N194 PolarHBondContact O-N 3.44Å; Y192-N194 VanDerWaalsContact O-N 3.13Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y192-T200 HydrophobicContact CD2-CG2 3.62Å; Y192-T200 HydrophobicContact CE2-CG2 3.4Å; Y192-T200 VanDerWaalsContact CE2-CG2 3.4Å; Y192-T200 HydrophobicContact CG-CG2 4.33Å; Y192-T241 HydrophobicContact CE2-CG2 3.69Å; Y192-T241 WeakPolarHBondContact OH-CG2 3.26Å; Y192-P243 WeakPolarHBondContact CB-O 3.39Å; Y192-P243 HydrophobicContact CD1-CB 3.69Å; Y192-P243 HydrophobicContact CD1-CG 4.28Å; Y192-P243 HydrophobicContact CE1-CB 4.05Å; Y192-P243 HydrophobicContact CE1-CG 4.14Å; Y192-P243 HydrophobicContact CG-CB 4.07Å; Y192-F246 HydrophobicContact CD2-CD1 4.36Å; Y192-F246 HydrophobicContact CD2-CD2 4.03Å; Y192-F246 HydrophobicContact CD2-CE1 4.16Å; Y192-F246 AromaticContact CD2-CE2 3.79Å; Y192-F246 HydrophobicContact CD2-CE2 3.79Å; Y192-F246 HydrophobicContact CD2-CG 4.29Å; Y192-F246 AromaticContact CD2-CZ 3.85Å; Y192-F246 HydrophobicContact CD2-CZ 3.85Å; Y192-F246 HydrophobicContact CG-CE2 4.27Å; Y192-F246 HydrophobicContact CG-CZ 4.35Å; Y192-R383 PolarHBondContact OH-NH1 2.83Å; Y192-R383 VanDerWaalsContact OH-NH1 3.08Å; Y192-Y396 HydrophobicContact CE1-CE2 4.22Å
193	T	94.2	Very high	92.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-18.2	179	66.3	0	0	0	0	114	E189 F190 Y191 Y396 Q398 K399	E189-T193 WeakPolarHBondContact O-CG2 3.19Å; E189-T193 PolarHBondContact O-N 2.92Å; E189-T193 VanDerWaalsContact O-N 3.08Å; F190-T193 PolarHBondContact O-N 3.44Å; F190-T193 PolarHBondContact O-OG1 3.05Å; Y191-T193 PolarHBondContact O-N 3.2Å; T193-Y396 HydrophobicContact CG2-CD2 4.37Å; T193-Y396 HydrophobicContact CG2-CG 4.11Å; T193-Y396 WeakPolarHBondContact O-CD2 3.09Å; T193-Q398 HydrophobicContact CG2-CB 4.4Å; T193-K399 WeakPolarHBondContact O-CB 3.39Å; T193-K399 WeakPolarHBondContact O-CD 3.37Å; T193-K399 WeakPolarHBondContact O-CG 3.42Å
194	N	94.6	Very high	92.5	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-95.2	-7.8	-179.6	-81.3	-84.8	0	0	0	114.3	I159 F190 Y191 Y192 L400	I159-N194 HydrophobicContact CD1-CB 3.63Å; I159-N194 HydrophobicContact CG1-CB 4.12Å; I159-N194 HydrophobicContact CG2-CB 4.14Å; F190-N194 WeakPolarHBondContact CE1-ND2 3.43Å; F190-N194 WeakPolarHBondContact CZ-ND2 3.38Å; F190-N194 PolarHBondContact O-N 2.88Å; F190-N194 PolarHBondContact O-ND2 3.45Å; Y191-N194 PolarHBondContact O-N 2.04Å; Y192-N194 PolarHBondContact O-N 3.44Å; Y192-N194 VanDerWaalsContact O-N 3.13Å; N194-L400 VanDerWaalsContact OD1-CB 3.29Å; N194-L400 WeakPolarHBondContact OD1-CB 3.27Å; N194-L400 VanDerWaalsContact OD1-CG 3.25Å; N194-L400 WeakPolarHBondContact OD1-CG 3.3Å; N194-L400 PolarHBondContact OD1-N 3.29Å
195	L	93.1	Very high	92.7	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-82.2	175.7	172.9	-67.5	-178.1	0	0	0	112.7	V153 P154 I159 Y191 Y192 D199 T200 V203 F246 K399	V153-L195 HydrophobicContact CG1-CD2 3.8Å; P154-L195 HydrophobicContact CG-CD2 3.74Å; I159-L195 HydrophobicContact CD1-CD2 4.42Å; Y191-L195 HydrophobicContact CD1-CD1 4.36Å; Y191-L195 HydrophobicContact CE1-CD1 3.87Å; Y191-L195 HydrophobicContact CE1-CG 4.44Å; Y191-L195 HydrophobicContact CE2-CD2 4.24Å; Y191-L195 PolarHBondContact O-N 2.7Å; Y192-L195 PolarHBondContact O-N 3.37Å; L195-D199 HydrophobicContact CB-CB 4.34Å; L195-D199 HydrophobicContact CD2-CB 4.31Å; L195-T200 HydrophobicContact CB-CG2 3.68Å; L195-T200 HydrophobicContact CD1-CG2 3.93Å; L195-T200 HydrophobicContact CG-CG2 4.44Å; L195-V203 HydrophobicContact CD1-CG2 4.28Å; L195-F246 HydrophobicContact CD1-CE1 3.64Å; L195-F246 HydrophobicContact CD1-CZ 4.06Å; L195-K399 PolarHBondContact O-NZ 3.4Å
196	N	89.9	Confident	92.7	Very high	70 Å²	70	31.1 Å²	31.1	37%	0.374	16%	0.161	S	C	.	.			trans	-99.8	161.5	162.2	-48.5	-60.9	0	0	0	109.3	D198 D199 T200 K399	N196-D198 PolarHBondContact O-N 2.9Å; N196-D199 WeakPolarHBondContact CB-OD2 3.22Å; N196-D199 PolarHBondContact ND2-OD2 2.76Å; N196-D199 WeakPolarHBondContact O-CB 3.42Å; N196-D199 PolarHBondContact O-N 2.81Å; N196-T200 PolarHBondContact O-N 2.83Å; N196-K399 PolarHBondContact OD1-NZ 3.37Å
197	L	86.9	Confident	92.6	Very high	73 Å²	73	31.7 Å²	31.7	38%	0.382	16%	0.163	S	C	.	.	H	α-helix	trans	-54.4	-51.9	-174.8	-178.1	58.5	0	0	0	112.2	D199 T200 I201 L350	L197-D199 PolarHBondContact O-N 2.69Å; L197-T200 PolarHBondContact O-N 2.87Å; L197-T200 VanDerWaalsContact O-N 3.14Å; L197-T200 PolarHBondContact O-OG1 2.62Å; L197-I201 HydrophobicContact CG-CD1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.49Å; L197-L350 HydrophobicContact CD1-CD1 3.94Å; L197-L350 HydrophobicContact CD1-CD2 4.02Å; L197-L350 HydrophobicContact CD2-CD2 4.32Å
198	D	90.3	Very high	92.3	Very high	105 Å²	105	34.4 Å²	34.4	56%	0.561	18%	0.176	S	C	*	.	H	α-helix	trans	-58.8	-33.1	179	-52.8	-34.3	0	0	0	112.9	N196 I201 K202	N196-D198 PolarHBondContact O-N 2.9Å; D198-I201 PolarHBondContact O-N 2.92Å; D198-K202 WeakPolarHBondContact O-CE 3.16Å; D198-K202 VanDerWaalsContact O-CG 3.29Å; D198-K202 WeakPolarHBondContact O-CG 3.49Å; D198-K202 PolarHBondContact O-N 3.47Å; D198-K202 VanDerWaalsContact O-N 3.11Å
199	D	93.5	Very high	92.1	Very high	14 Å²	14	34 Å²	34	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-74.8	-36.7	-179.5	-57.9	-36.3	0	0	0	111.3	V153 L195 N196 L197 I201 K202 V203	V153-D199 HydrophobicContact CG1-CB 4.06Å; V153-D199 HydrophobicContact CG2-CB 4.19Å; L195-D199 HydrophobicContact CB-CB 4.34Å; L195-D199 HydrophobicContact CD2-CB 4.31Å; N196-D199 WeakPolarHBondContact CB-OD2 3.22Å; N196-D199 PolarHBondContact ND2-OD2 2.76Å; N196-D199 WeakPolarHBondContact O-CB 3.42Å; N196-D199 PolarHBondContact O-N 2.81Å; L197-D199 PolarHBondContact O-N 2.69Å; D199-I201 PolarHBondContact O-N 3.46Å; D199-K202 PolarHBondContact O-N 2.9Å; D199-K202 IonicContact OD1-NZ 3.27Å; D199-K202 PolarHBondContact OD1-NZ 2.97Å; D199-V203 WeakPolarHBondContact O-CB 3.34Å; D199-V203 WeakPolarHBondContact O-CG2 3.36Å; D199-V203 PolarHBondContact O-N 2.91Å
200	T	92.2	Very high	91.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-32.3	171.2	68.6	0	0	0	0	111.9	Y192 L195 N196 L197 G204 F246	Y192-T200 HydrophobicContact CD2-CG2 3.62Å; Y192-T200 HydrophobicContact CE2-CG2 3.4Å; Y192-T200 VanDerWaalsContact CE2-CG2 3.4Å; Y192-T200 HydrophobicContact CG-CG2 4.33Å; L195-T200 HydrophobicContact CB-CG2 3.68Å; L195-T200 HydrophobicContact CD1-CG2 3.93Å; L195-T200 HydrophobicContact CG-CG2 4.44Å; N196-T200 PolarHBondContact O-N 2.83Å; L197-T200 PolarHBondContact O-N 2.87Å; L197-T200 VanDerWaalsContact O-N 3.14Å; L197-T200 PolarHBondContact O-OG1 2.62Å; T200-G204 PolarHBondContact O-N 3.44Å; T200-F246 WeakPolarHBondContact O-CD1 3.2Å
201	I	93.2	Very high	91.4	Very high	53 Å²	53	32 Å²	32	27%	0.272	16%	0.164	S	C	.	.	H	α-helix	trans	-73.7	-44.4	178.7	-57.6	170.8	0	0	0	110.8	L197 D198 D199 V203 N247	L197-I201 HydrophobicContact CG-CD1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.49Å; D198-I201 PolarHBondContact O-N 2.92Å; D199-I201 PolarHBondContact O-N 3.46Å; I201-V203 VanDerWaalsContact C-N 3.33Å; I201-V203 PolarHBondContact O-N 3.1Å; I201-N247 PolarHBondContact O-ND2 3.25Å
202	K	94	Very high	90.9	Very high	91 Å²	91	32.2 Å²	32.2	40%	0.396	17%	0.165	S	C	.	.	H	α-helix	trans	-65.1	-34	178.2	-63.7	162.3	-154.9	162.4	0	113.4	L147 V153 D198 D199	L147-K202 HydrophobicContact CD1-CB 3.89Å; L147-K202 WeakPolarHBondContact CD1-O 3.48Å; V153-K202 HydrophobicContact CG2-CD 4.2Å; D198-K202 WeakPolarHBondContact O-CE 3.16Å; D198-K202 VanDerWaalsContact O-CG 3.29Å; D198-K202 WeakPolarHBondContact O-CG 3.49Å; D198-K202 PolarHBondContact O-N 3.47Å; D198-K202 VanDerWaalsContact O-N 3.11Å; D199-K202 PolarHBondContact O-N 2.9Å; D199-K202 IonicContact OD1-NZ 3.27Å; D199-K202 PolarHBondContact OD1-NZ 2.97Å
203	V	93.8	Very high	90.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-76.4	-32.4	-177.6	166	0	0	0	0	112.3	F140 S141 V144 V153 Y191 L195 D199 I201 F246	F140-V203 HydrophobicContact CD1-CG1 3.41Å; F140-V203 VanDerWaalsContact CD1-CG1 3.41Å; F140-V203 HydrophobicContact CE1-CG1 3.6Å; S141-V203 PolarHBondContact N-O 3.45Å; V144-V203 HydrophobicContact CG2-CB 4.24Å; V144-V203 HydrophobicContact CG2-CG1 4.01Å; V144-V203 HydrophobicContact CG2-CG2 3.93Å; V153-V203 HydrophobicContact CB-CG2 4.36Å; V153-V203 HydrophobicContact CG1-CG2 3.65Å; V153-V203 HydrophobicContact CG2-CG2 4.36Å; Y191-V203 HydrophobicContact CE1-CG1 4.32Å; L195-V203 HydrophobicContact CD1-CG2 4.28Å; D199-V203 WeakPolarHBondContact O-CB 3.34Å; D199-V203 WeakPolarHBondContact O-CG2 3.36Å; D199-V203 PolarHBondContact O-N 2.91Å; I201-V203 VanDerWaalsContact C-N 3.33Å; I201-V203 PolarHBondContact O-N 3.1Å; V203-F246 HydrophobicContact CB-CD1 4.03Å; V203-F246 HydrophobicContact CB-CE1 3.98Å; V203-F246 HydrophobicContact CG1-CD1 3.63Å; V203-F246 HydrophobicContact CG1-CE1 3.44Å; V203-F246 VanDerWaalsContact CG1-CE1 3.44Å; V203-F246 HydrophobicContact CG1-CZ 4.38Å
204	G	93.3	Very high	90.6	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-64.3	174.3	-177.6	0	0	0	0	0	114.3	P139 S141 T200	P139-G204 CarbonylContact O-C 3.58Å; P139-G204 VanDerWaalsContact O-CA 3.29Å; P139-G204 WeakPolarHBondContact O-CA 3.43Å; S141-G204 VanDerWaalsContact CB-O 3.24Å; S141-G204 WeakPolarHBondContact CB-O 3.14Å; S141-G204 PolarHBondContact OG-O 3.27Å; T200-G204 PolarHBondContact O-N 3.44Å
205	H	92.6	Very high	90.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	16%	0.164	C	C	.	.			trans	-62.6	144.2	162.6	-80.8	-99.4	0	0	0	111.6	N138 P139 F140 M209 N247	N138-H205 PolarHBondContact O-CD2 3.01Å; N138-H205 PolarHBondContact O-NE2 3.49Å; N138-H205 VanDerWaalsContact O-NE2 3.14Å; P139-H205 PolarHBondContact O-CD2 2.87Å; P139-H205 PolarHBondContact O-N 3.24Å; F140-H205 PolarHBondContact O-NE2 3.2Å; H205-M209 HydrophobicContact CB-CB 4.27Å; H205-M209 HydrophobicContact CB-SD 4.07Å; H205-N247 WeakPolarHBondContact O-CB 3.34Å; H205-N247 PolarHBondContact O-ND2 3.06Å
206	D	90.6	Very high	90.6	Very high	101 Å²	101	36.3 Å²	36.3	54%	0.54	18%	0.18	S	C	.	.			trans	-92.7	178.6	169.4	-155.5	-8.1	0	0	0	110.4	D208 M209 W249	D206-D208 PolarHBondContact O-N 2.73Å; D206-M209 WeakPolarHBondContact O-CB 3.19Å; D206-M209 PolarHBondContact O-N 2.99Å; D206-M209 VanDerWaalsContact O-N 3.17Å; D206-W249 PolarHBondContact O-NE1 3.42Å; D206-W249 VanDerWaalsContact O-NE1 3.16Å
207	K	89	Confident	90.5	Very high	30 Å²	30	35 Å²	35	13%	0.13	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.5	178.6	-173.4	168.5	174.7	173.7	0	111.9	M209 L210 K226 C227 D228 W249	K207-M209 PolarHBondContact O-N 3.39Å; K207-L210 PolarHBondContact O-N 2.94Å; K207-K226 WeakPolarHBondContact CE-O 3.39Å; K207-C227 WeakPolarHBondContact CE-O 3.05Å; K207-C227 PolarHBondContact NZ-O 3.07Å; K207-D228 WeakPolarHBondContact CE-OD1 3.46Å; K207-D228 IonicContact NZ-OD1 2.72Å; K207-D228 PolarHBondContact NZ-OD1 3.48Å; K207-W249 HydrophobicContact CB-CH2 4.12Å; K207-W249 HydrophobicContact CB-CZ2 3.95Å
208	D	84.8	Confident	90.4	Very high	80 Å²	80	36.3 Å²	36.3	43%	0.428	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-54.7	-9.6	172.8	-72	36.8	0	0	0	115.6	D206 L210 K226	D206-D208 PolarHBondContact O-N 2.73Å; D208-L210 VanDerWaalsContact C-N 3.31Å; D208-K226 WeakPolarHBondContact OD1-CE 3.48Å; D208-K226 IonicContact OD1-NZ 2.76Å; D208-K226 PolarHBondContact OD1-NZ 3.23Å; D208-K226 IonicContact OD2-NZ 2.67Å; D208-K226 PolarHBondContact OD2-NZ 2.92Å
209	M	89.4	Confident	89.9	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.02	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.9	-34.6	165.9	-173	-166.7	80.3	0	0	111.9	A136 H205 D206 K207 A269 H270 I295	A136-M209 HydrophobicContact CB-SD 3.72Å; H205-M209 HydrophobicContact CB-CB 4.27Å; H205-M209 HydrophobicContact CB-SD 4.07Å; D206-M209 WeakPolarHBondContact O-CB 3.19Å; D206-M209 PolarHBondContact O-N 2.99Å; D206-M209 VanDerWaalsContact O-N 3.17Å; K207-M209 PolarHBondContact O-N 3.39Å; M209-A269 CarbonylContact O-C 3.57Å; M209-A269 WeakPolarHBondContact O-CA 3.42Å; M209-H270 WeakPolarHBondContact CG-O 3.45Å; M209-H270 PolarHBondContact O-N 2.93Å; M209-I295 HydrophobicContact CE-CD1 4.38Å
210	L	89.9	Confident	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	106.7	171.2	-45.4	176.9	0	0	0	106.5	K207 D208 K226 C227 I237 W249 I267	K207-L210 PolarHBondContact O-N 2.94Å; D208-L210 VanDerWaalsContact C-N 3.31Å; L210-K226 WeakPolarHBondContact O-CA 3.31Å; L210-C227 HydrophobicContact CB-CB 4.46Å; L210-C227 WeakPolarHBondContact CB-SG 3.28Å; L210-C227 HydrophobicContact CD1-CB 4.34Å; L210-I237 HydrophobicContact CD1-CD1 4.21Å; L210-W249 HydrophobicContact CD1-CB 4Å; L210-W249 HydrophobicContact CD1-CG 4.29Å; L210-I267 HydrophobicContact CD2-CG2 3.93Å
211	Y	83	Confident	89.2	Confident	19 Å²	19	37.5 Å²	37.5	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-40.7	-175	-171	-91.6	0	0	0	111.3	K226 L268 T469 F522	Y211-K226 PolarHBondContact O-N 3.42Å; Y211-L268 WeakPolarHBondContact CB-O 3.34Å; Y211-L268 PolarHBondContact N-O 2.72Å; Y211-T469 HydrophobicContact CE1-CG2 3.92Å; Y211-F522 HydrophobicContact CD1-CE1 4.24Å; Y211-F522 AromaticContact CD1-CZ 4Å; Y211-F522 HydrophobicContact CD1-CZ 4Å; Y211-F522 HydrophobicContact CE1-CE1 4.17Å; Y211-F522 HydrophobicContact CE1-CE2 4.41Å; Y211-F522 AromaticContact CE1-CZ 3.48Å; Y211-F522 HydrophobicContact CE1-CZ 3.48Å; Y211-F522 VanDerWaalsContact CE1-CZ 3.48Å; Y211-F522 AromaticContact CZ-CZ 3.84Å
212	H	85.8	Confident	88.9	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	135.6	-176.9	-160.4	73.1	0	0	0	109.2	V223 C227 L268 Y468	H212-V223 WeakPolarHBondContact CE1-CG1 3.35Å; H212-V223 VanDerWaalsContact NE2-CG1 3.32Å; H212-V223 WeakPolarHBondContact NE2-CG1 3.49Å; H212-C227 VanDerWaalsContact C-SG 3.57Å; H212-L268 HydrophobicContact CB-CB 4.23Å; H212-L268 PolarHBondContact N-O 3Å; H212-L268 PolarHBondContact O-N 2.87Å; H212-Y468 AromaticContact NE2-CE1 3.61Å
213	C	92.2	Very high	88.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.5	165.1	-66.9	0	0	0	0	109.9	A224 C227 L229 I266	C213-A224 PolarHBondContact N-O 2.82Å; C213-A224 PolarHBondContact O-N 2.89Å; C213-C227 VanDerWaalsContact CA-SG 3.6Å; C213-C227 HydrophobicContact CB-CB 3.44Å; C213-C227 VanDerWaalsContact CB-CB 3.44Å; C213-C227 WeakPolarHBondContact CB-SG 3.5Å; C213-C227 PolarHBondContact N-SG 2.8Å; C213-C227 WeakPolarHBondContact SG-CB 3.04Å; C213-C227 CovalentContact SG-SG 2.01Å; C213-C227 PolarHBondContact SG-SG 3.29Å; C213-L229 HydrophobicContact CB-CD1 3.97Å; C213-L229 HydrophobicContact CB-CG 4.46Å; C213-I266 VanDerWaalsContact CA-O 3.25Å; C213-I266 WeakPolarHBondContact CA-O 3.04Å
214	M	91.4	Very high	88	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	145.3	176.4	23	-172.5	-171.4	0	0	109.7	V222 I266 D669 N670 N671	M214-V222 CarbonylContact C-O 3.54Å; M214-V222 VanDerWaalsContact CA-O 3.25Å; M214-V222 WeakPolarHBondContact CA-O 3.39Å; M214-I266 HydrophobicContact CE-CG2 3.85Å; M214-I266 HydrophobicContact CG-CG2 4.31Å; M214-I266 PolarHBondContact N-O 3.35Å; M214-I266 PolarHBondContact O-N 2.57Å; M214-D669 WeakPolarHBondContact CA-OD1 3.34Å; M214-D669 HydrophobicContact CB-CB 4.31Å; M214-D669 WeakPolarHBondContact CB-OD1 3.39Å; M214-N670 VanDerWaalsContact CB-OD1 3.29Å; M214-N670 WeakPolarHBondContact CB-OD1 3.43Å; M214-N671 VanDerWaalsContact CE-O 3.24Å; M214-N671 WeakPolarHBondContact CE-O 3.06Å; M214-N671 PolarHBondContact SD-N 2.73Å
215	L	93.2	Very high	87.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119	-161.4	-179.2	78.3	0	0	0	113.2	E217 T221 V222 L229 T233 V235 V262 L265 D669 N670	L215-E217 HydrophobicContact CD2-CG 4.49Å; L215-E217 PolarHBondContact O-N 2.83Å; L215-T221 CarbonylContact O-C 3.5Å; L215-T221 WeakPolarHBondContact O-CA 3.47Å; L215-T221 WeakPolarHBondContact O-CB 3.47Å; L215-V222 PolarHBondContact N-O 2.85Å; L215-V222 PolarHBondContact O-N 3.09Å; L215-L229 HydrophobicContact CB-CD1 4.43Å; L215-T233 HydrophobicContact CD2-CG2 3.47Å; L215-T233 VanDerWaalsContact CD2-CG2 3.47Å; L215-V235 HydrophobicContact CD1-CG2 4.01Å; L215-V235 HydrophobicContact CD2-CB 4.27Å; L215-V235 HydrophobicContact CD2-CG2 3.62Å; L215-V262 HydrophobicContact CD1-CG1 3.57Å; L215-V262 HydrophobicContact CD1-CG2 4.22Å; L215-V262 HydrophobicContact CD2-CG2 4.42Å; L215-V262 HydrophobicContact CG-CG1 4.2Å; L215-V262 HydrophobicContact CG-CG2 4.43Å; L215-L265 HydrophobicContact CB-CD1 4.3Å; L215-L265 HydrophobicContact CD1-CB 4.33Å; L215-L265 HydrophobicContact CD1-CD1 3.65Å; L215-D669 PolarHBondContact N-OD1 2.67Å; L215-D669 VanDerWaalsContact N-OD1 3.14Å; L215-N670 WeakPolarHBondContact CA-ND2 3.3Å; L215-N670 PolarHBondContact N-ND2 2.97Å; L215-N670 PolarHBondContact O-ND2 3.38Å
216	Y	92.6	Very high	86.9	Confident	92 Å²	92	37 Å²	37	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	93.2	-163.8	-146.1	-136.2	0	0	0	111.2	T221 V262 T263 R264 N670 N671	Y216-T221 HydrophobicContact CD2-CG2 3.28Å; Y216-T221 HydrophobicContact CE2-CG2 3.81Å; Y216-T221 HydrophobicContact CG-CG2 3.92Å; Y216-V262 CarbonylContact O-C 3.54Å; Y216-V262 WeakPolarHBondContact O-CA 3.41Å; Y216-T263 WeakPolarHBondContact CD1-OG1 3.47Å; Y216-T263 PolarHBondContact O-N 2.75Å; Y216-T263 PolarHBondContact O-OG1 2.86Å; Y216-R264 WeakPolarHBondContact CB-O 3.39Å; Y216-R264 HydrophobicContact CD1-CB 3.73Å; Y216-R264 HydrophobicContact CG-CB 4Å; Y216-R264 PolarHBondContact N-O 3.11Å; Y216-R264 PolarHBondContact O-N 2.8Å; Y216-N670 WeakPolarHBondContact CA-ND2 3.23Å; Y216-N670 HydrophobicContact CD2-CB 3.32Å; Y216-N670 WeakPolarHBondContact CD2-ND2 3.35Å; Y216-N670 HydrophobicContact CE2-CB 3.56Å; Y216-N670 HydrophobicContact CG-CB 4.38Å; Y216-N670 PolarHBondContact N-ND2 3.11Å; Y216-N670 VanDerWaalsContact N-ND2 3.18Å; Y216-N671 VanDerWaalsContact CD2-ND2 3.26Å; Y216-N671 WeakPolarHBondContact CD2-ND2 3.45Å; Y216-N671 VanDerWaalsContact CG-ND2 3.3Å
217	E	89.1	Confident	86.7	Confident	42 Å²	42	32.2 Å²	32.2	20%	0.196	18%	0.18	C	C	.	.			trans	-92.9	-179.8	172.7	-62.4	172.4	176	0	0	111.1	L215 G219 S220 T221 D261 V262	L215-E217 HydrophobicContact CD2-CG 4.49Å; L215-E217 PolarHBondContact O-N 2.83Å; E217-G219 PolarHBondContact O-N 3.44Å; E217-S220 CarbonylContact C-O 3.57Å; E217-S220 WeakPolarHBondContact CA-O 3.5Å; E217-S220 WeakPolarHBondContact CB-O 3.32Å; E217-S220 PolarHBondContact N-O 2.05Å; E217-S220 VanDerWaalsContact N-O 3.12Å; E217-T221 WeakPolarHBondContact O-CG2 3.4Å; E217-D261 WeakPolarHBondContact CA-O 3.5Å; E217-V262 HydrophobicContact CG-CB 4.41Å; E217-V262 HydrophobicContact CG-CG2 3.7Å
218	E	84.3	Confident	86.5	Confident	102 Å²	102	34.8 Å²	34.8	48%	0.477	20%	0.196	S	C	.	.	S	Bend	trans	-77.9	114.1	-176.9	-81.3	-173	-174.2	0	0	113.3	K126 S220 D261 F537	K126-E218 IonicContact NZ-OE1 3.25Å; K126-E218 PolarHBondContact NZ-OE1 3.45Å; K126-E218 IonicContact NZ-OE2 2.85Å; K126-E218 PolarHBondContact NZ-OE2 3.04Å; E218-S220 PolarHBondContact O-N 3.12Å; E218-S220 VanDerWaalsContact O-N 3.16Å; E218-D261 HydrophobicContact CB-CB 4.45Å; E218-D261 HydrophobicContact CG-CB 4.41Å; E218-D261 PolarHBondContact N-O 2.71Å; E218-F537 HydrophobicContact CG-CZ 4.29Å; E218-F537 WeakPolarHBondContact OE1-CE2 3.33Å; E218-F537 WeakPolarHBondContact OE1-CZ 3.46Å
219	G	80.6	Confident	86.4	Confident	93 Å²	93	31 Å²	31	96%	0.959	18%	0.176	S	C	*	.	S	Bend	trans	72.9	-2.5	179.1	0	0	0	0	0	114.8	E217	E217-G219 PolarHBondContact O-N 3.44Å
220	S	85.3	Confident	85.8	Confident	37 Å²	37	34.8 Å²	34.8	26%	0.259	19%	0.193	S	C	.	.			trans	-158.9	145.1	178.6	113.7	0	0	0	0	108.7	E217 E218 N668	E217-S220 CarbonylContact C-O 3.57Å; E217-S220 WeakPolarHBondContact CA-O 3.5Å; E217-S220 WeakPolarHBondContact CB-O 3.32Å; E217-S220 PolarHBondContact N-O 2.05Å; E217-S220 VanDerWaalsContact N-O 3.12Å; E218-S220 PolarHBondContact O-N 3.12Å; E218-S220 VanDerWaalsContact O-N 3.16Å; S220-N668 VanDerWaalsContact CB-ND2 3.33Å; S220-N668 WeakPolarHBondContact CB-ND2 3.42Å; S220-N668 PolarHBondContact OG-ND2 3.4Å
221	T	86	Confident	85.2	Confident	17 Å²	17	42.2 Å²	42.2	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	116.3	-156.5	60.9	0	0	0	0	111.9	L215 Y216 E217 N668 D669	L215-T221 CarbonylContact O-C 3.5Å; L215-T221 WeakPolarHBondContact O-CA 3.47Å; L215-T221 WeakPolarHBondContact O-CB 3.47Å; Y216-T221 HydrophobicContact CD2-CG2 3.28Å; Y216-T221 HydrophobicContact CE2-CG2 3.81Å; Y216-T221 HydrophobicContact CG-CG2 3.92Å; E217-T221 WeakPolarHBondContact O-CG2 3.4Å; T221-N668 VanDerWaalsContact C-OD1 3.25Å; T221-N668 VanDerWaalsContact N-CB 3.27Å; T221-N668 PolarHBondContact N-ND2 3.18Å; T221-N668 CarbonylContact O-C 3.6Å; T221-N668 VanDerWaalsContact O-CA 3.25Å; T221-N668 WeakPolarHBondContact O-CA 3.21Å; T221-N668 WeakPolarHBondContact O-CB 3.43Å; T221-N668 PolarHBondContact O-OD1 3Å; T221-D669 WeakPolarHBondContact CA-OD2 3.33Å; T221-D669 WeakPolarHBondContact CB-OD2 3.39Å; T221-D669 WeakPolarHBondContact O-CB 3.35Å; T221-D669 PolarHBondContact O-N 2.87Å; T221-D669 PolarHBondContact OG1-N 3.15Å; T221-D669 PolarHBondContact OG1-OD2 2.75Å
222	V	85.3	Confident	84.8	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	-160.7	179	0	0	0	0	117.5	M214 L215 L229 E232 T233 N668 D669	M214-V222 CarbonylContact C-O 3.54Å; M214-V222 VanDerWaalsContact CA-O 3.25Å; M214-V222 WeakPolarHBondContact CA-O 3.39Å; L215-V222 PolarHBondContact N-O 2.85Å; L215-V222 PolarHBondContact O-N 3.09Å; V222-L229 HydrophobicContact CG1-CD2 4.09Å; V222-L229 VanDerWaalsContact O-CD2 3.27Å; V222-L229 WeakPolarHBondContact O-CD2 3.44Å; V222-E232 HydrophobicContact CG1-CB 3.79Å; V222-E232 WeakPolarHBondContact CG1-OE2 3.4Å; V222-T233 HydrophobicContact CB-CG2 3.46Å; V222-T233 VanDerWaalsContact CB-CG2 3.46Å; V222-T233 HydrophobicContact CG1-CG2 3.64Å; V222-T233 HydrophobicContact CG2-CG2 3.72Å; V222-N668 VanDerWaalsContact CA-OD1 3.23Å; V222-N668 WeakPolarHBondContact CA-OD1 3.31Å; V222-N668 VanDerWaalsContact CG2-OD1 3.3Å; V222-N668 WeakPolarHBondContact CG2-OD1 3.33Å; V222-D669 PolarHBondContact N-OD1 3.23Å
223	V	84.7	Confident	84.7	Confident	12 Å²	12	46.5 Å²	46.5	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.7	168.8	-170.4	0	0	0	0	111.8	H212 Y472 D669	H212-V223 WeakPolarHBondContact CE1-CG1 3.35Å; H212-V223 VanDerWaalsContact NE2-CG1 3.32Å; H212-V223 WeakPolarHBondContact NE2-CG1 3.49Å; V223-Y472 HydrophobicContact CB-CD2 4.1Å; V223-Y472 HydrophobicContact CB-CE2 3.42Å; V223-Y472 VanDerWaalsContact CB-CE2 3.42Å; V223-Y472 HydrophobicContact CG1-CD1 4.31Å; V223-Y472 HydrophobicContact CG1-CD2 3.76Å; V223-Y472 HydrophobicContact CG1-CE1 3.98Å; V223-Y472 HydrophobicContact CG1-CE2 3.4Å; V223-Y472 VanDerWaalsContact CG1-CE2 3.4Å; V223-Y472 HydrophobicContact CG1-CG 4.2Å; V223-Y472 HydrophobicContact CG2-CD2 4.08Å; V223-Y472 HydrophobicContact CG2-CE2 3.78Å; V223-Y472 PolarHBondContact O-OH 2.74Å; V223-D669 HydrophobicContact CB-CB 4.23Å; V223-D669 HydrophobicContact CG2-CB 3.22Å; V223-D669 PolarHBondContact N-OD1 2.9Å
224	A	84.3	Confident	84.4	Confident	7 Å²	7	48 Å²	48	6%	0.058	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.3	151.3	0	0	0	0	0	114.2	C213 C227 L229	C213-A224 PolarHBondContact N-O 2.82Å; C213-A224 PolarHBondContact O-N 2.89Å; A224-C227 PolarHBondContact O-N 3.44Å; A224-L229 HydrophobicContact CB-CD2 3.68Å; A224-L229 HydrophobicContact CB-CG 4.04Å
225	E	80.6	Confident	84.3	Confident	45 Å²	45	47.5 Å²	47.5	21%	0.21	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	146.9	158.9	-164.3	179	157.7	0	0	109.6	C227 D228 Y472 R473	E225-C227 PolarHBondContact O-N 3.23Å; E225-D228 PolarHBondContact O-N 3.41Å; E225-D228 VanDerWaalsContact O-N 3.07Å; E225-Y472 HydrophobicContact CB-CE1 4.43Å; E225-R473 IonicContact OE1-CZ 2.83Å; E225-R473 IonicContact OE1-NE 3.41Å; E225-R473 PolarHBondContact OE1-NE 3.44Å; E225-R473 IonicContact OE1-NH2 2.94Å; E225-R473 PolarHBondContact OE1-NH2 2.89Å; E225-R473 VanDerWaalsContact OE2-CG 3.24Å; E225-R473 WeakPolarHBondContact OE2-CG 3.38Å; E225-R473 IonicContact OE2-CZ 2.61Å; E225-R473 IonicContact OE2-NE 2.67Å; E225-R473 PolarHBondContact OE2-NE 3.27Å; E225-R473 IonicContact OE2-NH2 3Å
226	K	82.9	Confident	84.3	Confident	69 Å²	69	50.4 Å²	50.4	30%	0.3	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	4.7	-173.1	-60.2	-167.5	173.8	-159.1	0	115.8	K207 D208 L210 Y211	K207-K226 WeakPolarHBondContact CE-O 3.39Å; D208-K226 WeakPolarHBondContact OD1-CE 3.48Å; D208-K226 IonicContact OD1-NZ 2.76Å; D208-K226 PolarHBondContact OD1-NZ 3.23Å; D208-K226 IonicContact OD2-NZ 2.67Å; D208-K226 PolarHBondContact OD2-NZ 2.92Å; L210-K226 WeakPolarHBondContact O-CA 3.31Å; Y211-K226 PolarHBondContact O-N 3.42Å
227	C	86.1	Confident	84.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	39.9	-167.6	-42.9	0	0	0	0	113.2	K207 L210 H212 C213 A224 E225 L229 I237	K207-C227 WeakPolarHBondContact CE-O 3.05Å; K207-C227 PolarHBondContact NZ-O 3.07Å; L210-C227 HydrophobicContact CB-CB 4.46Å; L210-C227 WeakPolarHBondContact CB-SG 3.28Å; L210-C227 HydrophobicContact CD1-CB 4.34Å; H212-C227 VanDerWaalsContact C-SG 3.57Å; C213-C227 VanDerWaalsContact CA-SG 3.6Å; C213-C227 HydrophobicContact CB-CB 3.44Å; C213-C227 VanDerWaalsContact CB-CB 3.44Å; C213-C227 WeakPolarHBondContact CB-SG 3.5Å; C213-C227 PolarHBondContact N-SG 2.8Å; C213-C227 WeakPolarHBondContact SG-CB 3.04Å; C213-C227 CovalentContact SG-SG 2.01Å; C213-C227 PolarHBondContact SG-SG 3.29Å; A224-C227 PolarHBondContact O-N 3.44Å; E225-C227 PolarHBondContact O-N 3.23Å; C227-L229 PolarHBondContact O-N 2.9Å; C227-I237 HydrophobicContact CB-CD1 3.38Å; C227-I237 WeakPolarHBondContact O-CD1 3.25Å
228	D	85.6	Confident	84.4	Confident	84 Å²	84	46.6 Å²	46.6	45%	0.449	26%	0.257	S	S	.	.			trans	-76.5	39.4	171.2	-74.6	-45.1	0	0	0	113.7	K207 E225 E230	K207-D228 WeakPolarHBondContact CE-OD1 3.46Å; K207-D228 IonicContact NZ-OD1 2.72Å; K207-D228 PolarHBondContact NZ-OD1 3.48Å; E225-D228 PolarHBondContact O-N 3.41Å; E225-D228 VanDerWaalsContact O-N 3.07Å; D228-E230 PolarHBondContact O-N 3.03Å
229	L	81.4	Confident	84.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-8.9	178.6	-61.5	172.1	0	0	0	114.5	C213 L215 V222 A224 C227 L231 E232 T233 L265	C213-L229 HydrophobicContact CB-CD1 3.97Å; C213-L229 HydrophobicContact CB-CG 4.46Å; L215-L229 HydrophobicContact CB-CD1 4.43Å; V222-L229 HydrophobicContact CG1-CD2 4.09Å; V222-L229 VanDerWaalsContact O-CD2 3.27Å; V222-L229 WeakPolarHBondContact O-CD2 3.44Å; A224-L229 HydrophobicContact CB-CD2 3.68Å; A224-L229 HydrophobicContact CB-CG 4.04Å; C227-L229 PolarHBondContact O-N 2.9Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.49Å; L229-E232 PolarHBondContact O-N 3.3Å; L229-T233 HydrophobicContact CB-CG2 3.98Å; L229-T233 HydrophobicContact CD2-CG2 4.15Å; L229-T233 WeakPolarHBondContact O-CB 2.83Å; L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 PolarHBondContact O-OG1 3Å; L229-L265 HydrophobicContact CD1-CD1 4.28Å
230	E	78.2	Confident	85.4	Confident	83 Å²	83	41.4 Å²	41.4	39%	0.388	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.1	-171.9	-86	-177.3	-144.4	0	0	115.1	D228 R236 I237 K254	D228-E230 PolarHBondContact O-N 3.03Å; E230-R236 HydrophobicContact CG-CB 3.8Å; E230-I237 PolarHBondContact OE1-N 3.21Å; E230-K254 WeakPolarHBondContact O-CE 3.36Å; E230-K254 PolarHBondContact O-NZ 3.08Å
231	L	77.6	Confident	85.8	Confident	156 Å²	156	40 Å²	40	82%	0.817	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-37	177.1	-64.1	175.5	0	0	0	111.9	L229	L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.49Å
232	E	74.6	Confident	86.2	Confident	106 Å²	106	39.5 Å²	39.5	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-25.3	-164.8	-69.1	175.2	-160.8	0	0	114.2	V222 L229	V222-E232 HydrophobicContact CG1-CB 3.79Å; V222-E232 WeakPolarHBondContact CG1-OE2 3.4Å; L229-E232 PolarHBondContact O-N 3.3Å
233	T	82.5	Confident	86.6	Confident	9 Å²	9	39.2 Å²	39.2	6%	0.055	19%	0.188	C	C	.	.	S	Bend	trans	-107.1	171.6	-172.3	69.1	0	0	0	0	114.5	L215 V222 L229 V235 K254	L215-T233 HydrophobicContact CD2-CG2 3.47Å; L215-T233 VanDerWaalsContact CD2-CG2 3.47Å; V222-T233 HydrophobicContact CB-CG2 3.46Å; V222-T233 VanDerWaalsContact CB-CG2 3.46Å; V222-T233 HydrophobicContact CG1-CG2 3.64Å; V222-T233 HydrophobicContact CG2-CG2 3.72Å; L229-T233 HydrophobicContact CB-CG2 3.98Å; L229-T233 HydrophobicContact CD2-CG2 4.15Å; L229-T233 WeakPolarHBondContact O-CB 2.83Å; L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 PolarHBondContact O-OG1 3Å; T233-V235 PolarHBondContact O-N 2.89Å; T233-V235 WeakPolarHBondContact OG1-CA 3.36Å; T233-V235 WeakPolarHBondContact OG1-CB 3.48Å; T233-V235 PolarHBondContact OG1-N 3.36Å; T233-V235 PolarHBondContact OG1-O 3.06Å; T233-K254 WeakPolarHBondContact O-CE 3.42Å; T233-K254 PolarHBondContact O-NZ 2.97Å
234	S	85.5	Confident	87	Confident	31 Å²	31	40.1 Å²	40.1	22%	0.217	19%	0.191	C	C	.	.	S	Bend	trans	-71.5	1.7	162.5	-72.7	0	0	0	0	114.7	G253 K254 S258	S234-G253 WeakPolarHBondContact O-CA 3.47Å; S234-K254 WeakPolarHBondContact O-CB 3.48Å; S234-K254 WeakPolarHBondContact O-CG 3.25Å; S234-K254 PolarHBondContact O-N 3.31Å; S234-S258 WeakPolarHBondContact CB-O 3.36Å; S234-S258 PolarHBondContact OG-O 2.91Å
235	V	91	Very high	87.4	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	156.3	-171.5	176.9	0	0	0	0	112	L215 T233 I251 K254 T259	L215-V235 HydrophobicContact CD1-CG2 4.01Å; L215-V235 HydrophobicContact CD2-CB 4.27Å; L215-V235 HydrophobicContact CD2-CG2 3.62Å; T233-V235 PolarHBondContact O-N 2.89Å; T233-V235 WeakPolarHBondContact OG1-CA 3.36Å; T233-V235 WeakPolarHBondContact OG1-CB 3.48Å; T233-V235 PolarHBondContact OG1-N 3.36Å; T233-V235 PolarHBondContact OG1-O 3.06Å; V235-I251 HydrophobicContact CG1-CG2 3.3Å; V235-K254 VanDerWaalsContact O-CE 3.24Å; V235-K254 WeakPolarHBondContact O-CE 3.36Å; V235-T259 HydrophobicContact CG2-CG2 3.87Å
236	R	92	Very high	88.1	Confident	61 Å²	61	38.1 Å²	38.1	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.7	174	58.2	165.9	-172.5	-167.2	-3.7	111.9	E230 I251 D252 K254	E230-R236 HydrophobicContact CG-CB 3.8Å; R236-I251 WeakPolarHBondContact O-CA 3.44Å; R236-D252 WeakPolarHBondContact CG-O 3.39Å; R236-D252 IonicContact CZ-OD1 3.69Å; R236-D252 IonicContact CZ-OD2 2.62Å; R236-D252 PolarHBondContact N-O 3.12Å; R236-D252 IonicContact NE-OD1 3.82Å; R236-D252 PolarHBondContact NE-OD1 3.03Å; R236-D252 IonicContact NE-OD2 3.46Å; R236-D252 IonicContact NH2-OD1 3.42Å; R236-D252 PolarHBondContact NH2-OD1 3.25Å; R236-D252 IonicContact NH2-OD2 3.96Å; R236-D252 PolarHBondContact NH2-OD2 2.89Å; R236-D252 PolarHBondContact O-N 3.39Å; R236-K254 HydrophobicContact CB-CG 4.11Å; R236-K254 HydrophobicContact CG-CG 4.22Å
237	I	92.1	Very high	88.7	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.082	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.7	177.8	-57.1	-161.4	0	0	0	110.4	L210 C227 E230 W249 T250 I251	L210-I237 HydrophobicContact CD1-CD1 4.21Å; C227-I237 HydrophobicContact CB-CD1 3.38Å; C227-I237 WeakPolarHBondContact O-CD1 3.25Å; E230-I237 PolarHBondContact OE1-N 3.21Å; I237-W249 HydrophobicContact CG2-CB 4.3Å; I237-W249 HydrophobicContact CG2-CD2 4.49Å; I237-W249 HydrophobicContact CG2-CE3 3.79Å; I237-T250 CarbonylContact C-O 3.44Å; I237-T250 WeakPolarHBondContact CA-O 3.35Å; I237-I251 HydrophobicContact CD1-CD1 3.9Å; I237-I251 HydrophobicContact CD1-CG1 3.87Å; I237-I251 HydrophobicContact CG1-CG1 4Å; I237-I251 HydrophobicContact CG1-CG2 4.41Å
238	R	91.8	Very high	89.1	Confident	37 Å²	37	35.1 Å²	35.1	14%	0.14	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.2	-177.8	-61.9	-173.3	-69.6	117.3	-6.7	110.5	T250 D252	R238-T250 PolarHBondContact N-O 3.49Å; R238-T250 PolarHBondContact O-N 2.86Å; R238-D252 IonicContact CZ-OD1 2.73Å; R238-D252 IonicContact CZ-OD2 2.82Å; R238-D252 IonicContact NE-OD1 2.67Å; R238-D252 PolarHBondContact NE-OD1 3.22Å; R238-D252 IonicContact NE-OD2 3.27Å; R238-D252 IonicContact NH2-OD1 3.84Å; R238-D252 PolarHBondContact NH2-OD1 3.26Å; R238-D252 IonicContact NH2-OD2 3.7Å; R238-D252 PolarHBondContact NH2-OD2 2.84Å
239	R	93.4	Very high	89.6	Confident	85 Å²	85	32.2 Å²	32.2	32%	0.321	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.4	173.5	-159.7	174.3	56.2	65.5	13.8	110	T241 N247 C248 W249	R239-T241 PolarHBondContact NH1-OG1 3.44Å; R239-N247 HydrophobicContact CG-CB 4.47Å; R239-N247 PolarHBondContact NH1-OD1 3.07Å; R239-C248 WeakPolarHBondContact CA-O 3.32Å; R239-W249 HydrophobicContact CB-CE3 3.99Å; R239-W249 HydrophobicContact CB-CH2 3.99Å; R239-W249 HydrophobicContact CB-CZ3 3.55Å; R239-W249 HydrophobicContact CG-CE3 4.24Å; R239-W249 HydrophobicContact CG-CH2 3.86Å; R239-W249 HydrophobicContact CG-CZ2 4.21Å; R239-W249 HydrophobicContact CG-CZ3 3.88Å
240	F	93.3	Very high	90.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.1	168.7	170.5	-119.4	0	0	0	108.8	T133 H242 C248 Y305 P306	T133-F240 HydrophobicContact CG2-CD1 4.2Å; F240-H242 HydrophobicContact CE1-CB 3.91Å; F240-H242 AromaticContact CE1-CD2 3.72Å; F240-H242 HydrophobicContact CZ-CB 4.42Å; F240-H242 AromaticContact CZ-CD2 3.88Å; F240-C248 HydrophobicContact CB-CB 4.31Å; F240-C248 HydrophobicContact CD1-CB 4Å; F240-C248 PolarHBondContact N-O 2.04Å; F240-C248 PolarHBondContact O-N 3.29Å; F240-Y305 HydrophobicContact CE2-CE1 4.2Å; F240-Y305 AromaticContact CE2-CE2 3.91Å; F240-Y305 HydrophobicContact CE2-CE2 3.91Å; F240-Y305 AromaticContact CE2-CZ 3.68Å; F240-Y305 AromaticContact CZ-CE1 4Å; F240-Y305 HydrophobicContact CZ-CE1 4Å; F240-Y305 HydrophobicContact CZ-CE2 4.49Å; F240-Y305 AromaticContact CZ-CZ 3.82Å; F240-P306 HydrophobicContact CB-CG 4.47Å; F240-P306 HydrophobicContact CD1-CG 3.58Å; F240-P306 HydrophobicContact CD2-CG 3.97Å; F240-P306 HydrophobicContact CE1-CG 3.66Å; F240-P306 HydrophobicContact CE2-CG 4.06Å; F240-P306 HydrophobicContact CG-CG 3.74Å; F240-P306 HydrophobicContact CZ-CG 3.91Å
241	T	93.3	Very high	91.1	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	104	-179.7	-57.4	0	0	0	0	111.9	Y192 R239 F246 L350 R383	Y192-T241 HydrophobicContact CE2-CG2 3.69Å; Y192-T241 WeakPolarHBondContact OH-CG2 3.26Å; R239-T241 PolarHBondContact NH1-OG1 3.44Å; T241-F246 CarbonylContact C-O 3.33Å; T241-F246 VanDerWaalsContact CA-O 3.26Å; T241-F246 WeakPolarHBondContact CA-O 3.41Å; T241-L350 HydrophobicContact CG2-CD1 4.49Å; T241-R383 PolarHBondContact O-NH1 3.42Å; T241-R383 PolarHBondContact O-NH2 2.88Å
242	H	94.4	Very high	91.8	Very high	7 Å²	7	21 Å²	21	3%	0.032	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.4	176.9	-157	-89.8	0	0	0	110.3	F240 K244 Y245 F246 I308 E380	F240-H242 HydrophobicContact CE1-CB 3.91Å; F240-H242 AromaticContact CE1-CD2 3.72Å; F240-H242 HydrophobicContact CZ-CB 4.42Å; F240-H242 AromaticContact CZ-CD2 3.88Å; H242-K244 VanDerWaalsContact C-N 3.31Å; H242-K244 PolarHBondContact ND1-N 3.2Å; H242-K244 PolarHBondContact O-N 3.49Å; H242-Y245 HydrophobicContact CB-CD2 4.38Å; H242-Y245 AromaticContact ND1-CD2 3.79Å; H242-Y245 PolarHBondContact O-N 2.8Å; H242-F246 PolarHBondContact N-O 3.38Å; H242-F246 VanDerWaalsContact O-CA 3.28Å; H242-F246 WeakPolarHBondContact O-CA 3.45Å; H242-F246 PolarHBondContact O-N 3.28Å; H242-I308 VanDerWaalsContact CD2-CG2 3.46Å; H242-I308 WeakPolarHBondContact CD2-CG2 3.14Å; H242-E380 IonicContact CE1-OE1 2.74Å; H242-E380 IonicContact CE1-OE2 3.1Å; H242-E380 IonicContact NE2-OE2 2.7Å
243	P	93.2	Very high	92.6	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-40.1	-179.5	-26.5	37.7	0	0	0	113.5	Y192 S379 E380	Y192-P243 WeakPolarHBondContact CB-O 3.39Å; Y192-P243 HydrophobicContact CD1-CB 3.69Å; Y192-P243 HydrophobicContact CD1-CG 4.28Å; Y192-P243 HydrophobicContact CE1-CB 4.05Å; Y192-P243 HydrophobicContact CE1-CG 4.14Å; Y192-P243 HydrophobicContact CG-CB 4.07Å; P243-S379 WeakPolarHBondContact CG-O 3.48Å; P243-E380 WeakPolarHBondContact CB-OE1 3.17Å; P243-E380 VanDerWaalsContact CD-OE1 3.32Å; P243-E380 WeakPolarHBondContact CD-OE1 3.44Å; P243-E380 WeakPolarHBondContact CG-OE1 3.33Å
244	K	92.7	Very high	93.1	Very high	32 Å²	32	18.3 Å²	18.3	14%	0.139	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-32.6	178	-163.9	-177.6	-149.3	122.8	0	115.5	I188 E189 H242 E309	I188-K244 VanDerWaalsContact CG2-O 3.3Å; I188-K244 WeakPolarHBondContact CG2-O 3.29Å; E189-K244 HydrophobicContact CG-CB 3.93Å; E189-K244 HydrophobicContact CG-CG 4.15Å; E189-K244 WeakPolarHBondContact OE1-CD 3.04Å; E189-K244 WeakPolarHBondContact OE1-CE 3.45Å; E189-K244 WeakPolarHBondContact OE1-CG 3.41Å; E189-K244 IonicContact OE1-NZ 3.69Å; E189-K244 PolarHBondContact OE1-NZ 3.08Å; H242-K244 VanDerWaalsContact C-N 3.31Å; H242-K244 PolarHBondContact ND1-N 3.2Å; H242-K244 PolarHBondContact O-N 3.49Å; K244-E309 VanDerWaalsContact CD-OE2 3.27Å; K244-E309 WeakPolarHBondContact CD-OE2 3.45Å; K244-E309 WeakPolarHBondContact CE-OE2 3.49Å; K244-E309 IonicContact NZ-OE2 2.78Å; K244-E309 PolarHBondContact NZ-OE2 2.63Å
245	Y	93.7	Very high	93	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.039	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	0.1	-169.9	-59.5	-59.8	0	0	0	114.2	C135 A136 H137 H242 N247 K296 I308 E309	C135-Y245 HydrophobicContact CB-CD1 4.48Å; C135-Y245 HydrophobicContact CB-CD2 3.96Å; C135-Y245 HydrophobicContact CB-CG 3.81Å; A136-Y245 VanDerWaalsContact O-CD1 3.23Å; A136-Y245 WeakPolarHBondContact O-CD1 3.49Å; H137-Y245 AromaticContact ND1-CE1 3.91Å; H242-Y245 HydrophobicContact CB-CD2 4.38Å; H242-Y245 AromaticContact ND1-CD2 3.79Å; H242-Y245 PolarHBondContact O-N 2.8Å; Y245-N247 PolarHBondContact O-N 3.11Å; Y245-K296 HydrophobicContact CE2-CD 4Å; Y245-K296 VanDerWaalsContact OH-CD 3.23Å; Y245-K296 WeakPolarHBondContact OH-CD 3.47Å; Y245-I308 HydrophobicContact CD2-CD1 4.45Å; Y245-I308 HydrophobicContact CD2-CG2 4.27Å; Y245-I308 HydrophobicContact CE2-CD1 4.44Å; Y245-I308 HydrophobicContact CE2-CG2 4.31Å; Y245-E309 WeakPolarHBondContact CE2-OE1 3.4Å; Y245-E309 PolarHBondContact OH-OE1 3.29Å
246	F	94.6	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	-118.9	-177.8	-74	-126.9	0	0	0	111	P139 F140 I188 Y191 Y192 L195 T200 V203 T241 H242	P139-F246 HydrophobicContact CB-CB 3.84Å; P139-F246 HydrophobicContact CB-CD2 3.52Å; P139-F246 HydrophobicContact CB-CE2 4.35Å; P139-F246 HydrophobicContact CB-CG 3.82Å; P139-F246 HydrophobicContact CG-CD2 4.22Å; F140-F246 HydrophobicContact CE1-CE1 4.46Å; F140-F246 HydrophobicContact CE1-CZ 4.3Å; I188-F246 HydrophobicContact CG2-CD2 4.24Å; I188-F246 HydrophobicContact CG2-CE2 3.77Å; Y191-F246 AromaticContact CD1-CZ 3.81Å; Y191-F246 HydrophobicContact CD1-CZ 3.81Å; Y191-F246 HydrophobicContact CE1-CE1 4.41Å; Y191-F246 HydrophobicContact CE1-CZ 4.13Å; Y192-F246 HydrophobicContact CD2-CD1 4.36Å; Y192-F246 HydrophobicContact CD2-CD2 4.03Å; Y192-F246 HydrophobicContact CD2-CE1 4.16Å; Y192-F246 AromaticContact CD2-CE2 3.79Å; Y192-F246 HydrophobicContact CD2-CE2 3.79Å; Y192-F246 HydrophobicContact CD2-CG 4.29Å; Y192-F246 AromaticContact CD2-CZ 3.85Å; Y192-F246 HydrophobicContact CD2-CZ 3.85Å; Y192-F246 HydrophobicContact CG-CE2 4.27Å; Y192-F246 HydrophobicContact CG-CZ 4.35Å; L195-F246 HydrophobicContact CD1-CE1 3.64Å; L195-F246 HydrophobicContact CD1-CZ 4.06Å; T200-F246 WeakPolarHBondContact O-CD1 3.2Å; V203-F246 HydrophobicContact CB-CD1 4.03Å; V203-F246 HydrophobicContact CB-CE1 3.98Å; V203-F246 HydrophobicContact CG1-CD1 3.63Å; V203-F246 HydrophobicContact CG1-CE1 3.44Å; V203-F246 VanDerWaalsContact CG1-CE1 3.44Å; V203-F246 HydrophobicContact CG1-CZ 4.38Å; T241-F246 CarbonylContact C-O 3.33Å; T241-F246 VanDerWaalsContact CA-O 3.26Å; T241-F246 WeakPolarHBondContact CA-O 3.41Å; H242-F246 PolarHBondContact N-O 3.38Å; H242-F246 VanDerWaalsContact O-CA 3.28Å; H242-F246 WeakPolarHBondContact O-CA 3.45Å; H242-F246 PolarHBondContact O-N 3.28Å
247	N	95.1	Very high	92.4	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	-179.1	-72.8	-25.3	0	0	0	111.2	I201 H205 R239 Y245	I201-N247 PolarHBondContact O-ND2 3.25Å; H205-N247 WeakPolarHBondContact O-CB 3.34Å; H205-N247 PolarHBondContact O-ND2 3.06Å; R239-N247 HydrophobicContact CG-CB 4.47Å; R239-N247 PolarHBondContact NH1-OD1 3.07Å; Y245-N247 PolarHBondContact O-N 3.11Å
248	C	95.9	Very high	92.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	159.1	170.9	-54.9	0	0	0	0	110	T133 L134 C135 R239 F240	T133-C248 HydrophobicContact CG2-CB 4.17Å; L134-C248 CarbonylContact O-C 3.58Å; L134-C248 VanDerWaalsContact O-CA 3.27Å; L134-C248 WeakPolarHBondContact O-CA 3.08Å; L134-C248 VanDerWaalsContact O-CB 3.28Å; L134-C248 WeakPolarHBondContact O-CB 3.31Å; C135-C248 HydrophobicContact CB-CB 4.06Å; C135-C248 WeakPolarHBondContact CB-SG 3.34Å; C135-C248 WeakPolarHBondContact SG-CB 3.07Å; C135-C248 CovalentContact SG-SG 2.02Å; C135-C248 PolarHBondContact SG-SG 3.49Å; R239-C248 WeakPolarHBondContact CA-O 3.32Å; F240-C248 HydrophobicContact CB-CB 4.31Å; F240-C248 HydrophobicContact CD1-CB 4Å; F240-C248 PolarHBondContact N-O 2.04Å; F240-C248 PolarHBondContact O-N 3.29Å
249	W	95.4	Very high	92.3	Very high	22 Å²	22	27.6 Å²	27.6	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118	-176.8	-62.5	107.3	0	0	0	110.7	T133 L134 D206 K207 L210 I237 R239	T133-W249 WeakPolarHBondContact CA-O 3.24Å; L134-W249 PolarHBondContact N-O 3.24Å; L134-W249 PolarHBondContact O-N 3.15Å; D206-W249 PolarHBondContact O-NE1 3.42Å; D206-W249 VanDerWaalsContact O-NE1 3.16Å; K207-W249 HydrophobicContact CB-CH2 4.12Å; K207-W249 HydrophobicContact CB-CZ2 3.95Å; L210-W249 HydrophobicContact CD1-CB 4Å; L210-W249 HydrophobicContact CD1-CG 4.29Å; I237-W249 HydrophobicContact CG2-CB 4.3Å; I237-W249 HydrophobicContact CG2-CD2 4.49Å; I237-W249 HydrophobicContact CG2-CE3 3.79Å; R239-W249 HydrophobicContact CB-CE3 3.99Å; R239-W249 HydrophobicContact CB-CH2 3.99Å; R239-W249 HydrophobicContact CB-CZ3 3.55Å; R239-W249 HydrophobicContact CG-CE3 4.24Å; R239-W249 HydrophobicContact CG-CH2 3.86Å; R239-W249 HydrophobicContact CG-CZ2 4.21Å; R239-W249 HydrophobicContact CG-CZ3 3.88Å
250	T	95.5	Very high	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.4	174	-56.3	0	0	0	0	109.2	A131 I132 T133 I237 R238 D252	A131-T250 HydrophobicContact CB-CG2 4.22Å; I132-T250 CarbonylContact O-C 3.55Å; I132-T250 WeakPolarHBondContact O-CA 3.33Å; T133-T250 WeakPolarHBondContact OG1-CB 3.47Å; T133-T250 WeakPolarHBondContact OG1-CG2 3.28Å; T133-T250 PolarHBondContact OG1-OG1 3.42Å; I237-T250 CarbonylContact C-O 3.44Å; I237-T250 WeakPolarHBondContact CA-O 3.35Å; R238-T250 PolarHBondContact N-O 3.49Å; R238-T250 PolarHBondContact O-N 2.86Å; T250-D252 HydrophobicContact CG2-CB 4.38Å
251	I	94.7	Very high	92.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.4	169.9	-51.2	-172.1	0	0	0	107	A131 I132 L134 V235 R236 I237 L265 I267	A131-I251 WeakPolarHBondContact CA-O 3.4Å; I132-I251 HydrophobicContact CG2-CB 3.83Å; I132-I251 HydrophobicContact CG2-CG1 4.45Å; I132-I251 PolarHBondContact N-O 2.9Å; I132-I251 PolarHBondContact O-N 2.82Å; L134-I251 HydrophobicContact CD1-CD1 4.42Å; L134-I251 HydrophobicContact CD1-CG1 4.43Å; V235-I251 HydrophobicContact CG1-CG2 3.3Å; R236-I251 WeakPolarHBondContact O-CA 3.44Å; I237-I251 HydrophobicContact CD1-CD1 3.9Å; I237-I251 HydrophobicContact CD1-CG1 3.87Å; I237-I251 HydrophobicContact CG1-CG1 4Å; I237-I251 HydrophobicContact CG1-CG2 4.41Å; I251-L265 HydrophobicContact CD1-CD2 4.33Å; I251-L265 HydrophobicContact CG2-CD2 4.28Å; I251-I267 HydrophobicContact CD1-CD1 3.8Å; I251-I267 HydrophobicContact CD1-CG1 4.36Å
252	D	93.6	Very high	92.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.7	178.3	83	-43.1	0	0	0	113.1	A131 R236 R238 T250 G303	A131-D252 HydrophobicContact CB-CB 3.62Å; R236-D252 WeakPolarHBondContact CG-O 3.39Å; R236-D252 IonicContact CZ-OD1 3.69Å; R236-D252 IonicContact CZ-OD2 2.62Å; R236-D252 PolarHBondContact N-O 3.12Å; R236-D252 IonicContact NE-OD1 3.82Å; R236-D252 PolarHBondContact NE-OD1 3.03Å; R236-D252 IonicContact NE-OD2 3.46Å; R236-D252 IonicContact NH2-OD1 3.42Å; R236-D252 PolarHBondContact NH2-OD1 3.25Å; R236-D252 IonicContact NH2-OD2 3.96Å; R236-D252 PolarHBondContact NH2-OD2 2.89Å; R236-D252 PolarHBondContact O-N 3.39Å; R238-D252 IonicContact CZ-OD1 2.73Å; R238-D252 IonicContact CZ-OD2 2.82Å; R238-D252 IonicContact NE-OD1 2.67Å; R238-D252 PolarHBondContact NE-OD1 3.22Å; R238-D252 IonicContact NE-OD2 3.27Å; R238-D252 IonicContact NH2-OD1 3.84Å; R238-D252 PolarHBondContact NH2-OD1 3.26Å; R238-D252 IonicContact NH2-OD2 3.7Å; R238-D252 PolarHBondContact NH2-OD2 2.84Å; T250-D252 HydrophobicContact CG2-CB 4.38Å; D252-G303 PolarHBondContact OD2-N 2.91Å
253	G	92	Very high	92.1	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.1	176.4	0	0	0	0	0	112.9	S234 K302	S234-G253 WeakPolarHBondContact O-CA 3.47Å; G253-K302 WeakPolarHBondContact O-CE 3.38Å
254	K	91.2	Very high	92.1	Very high	56 Å²	56	28.8 Å²	28.8	24%	0.243	16%	0.163	C	C	.	.			trans	-59.2	150.6	169.3	-68.9	167	175.8	169.3	0	110	E230 T233 S234 V235 R236 N256 A257 K302	E230-K254 WeakPolarHBondContact O-CE 3.36Å; E230-K254 PolarHBondContact O-NZ 3.08Å; T233-K254 WeakPolarHBondContact O-CE 3.42Å; T233-K254 PolarHBondContact O-NZ 2.97Å; S234-K254 WeakPolarHBondContact O-CB 3.48Å; S234-K254 WeakPolarHBondContact O-CG 3.25Å; S234-K254 PolarHBondContact O-N 3.31Å; V235-K254 VanDerWaalsContact O-CE 3.24Å; V235-K254 WeakPolarHBondContact O-CE 3.36Å; R236-K254 HydrophobicContact CB-CG 4.11Å; R236-K254 HydrophobicContact CG-CG 4.22Å; K254-N256 VanDerWaalsContact C-N 3.28Å; K254-N256 PolarHBondContact O-N 3.47Å; K254-A257 HydrophobicContact CB-CB 4Å; K254-A257 PolarHBondContact O-N 2.81Å; K254-K302 VanDerWaalsContact O-CE 3.29Å; K254-K302 WeakPolarHBondContact O-CE 3.24Å; K254-K302 PolarHBondContact O-NZ 3.21Å
255	P	83.8	Confident	92.3	Very high	97 Å²	97	27.3 Å²	27.3	63%	0.63	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-26	-172.9	26.4	-35.1	0	0	0	114.1
256	N	83.2	Confident	92.3	Very high	161 Å²	161	26.8 Å²	26.8	86%	0.861	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	14.1	-176.7	-61.4	6.3	0	0	0	112.7	K254	K254-N256 VanDerWaalsContact C-N 3.28Å; K254-N256 PolarHBondContact O-N 3.47Å
257	A	86.7	Confident	92.3	Very high	28 Å²	28	26.9 Å²	26.9	23%	0.231	16%	0.155	C	C	.	.	S	Bend	trans	-127.5	141.6	-179.9	0	0	0	0	0	110	K254 K302	K254-A257 HydrophobicContact CB-CB 4Å; K254-A257 PolarHBondContact O-N 2.81Å; A257-K302 PolarHBondContact O-NZ 3.27Å
258	S	89.7	Confident	92.2	Very high	55 Å²	55	27.2 Å²	27.2	39%	0.385	16%	0.157	S	C	.	.			trans	-83.1	142.3	176.1	-167.7	0	0	0	0	111.1	E128 S234 S260	E128-S258 WeakPolarHBondContact OE1-CA 3.47Å; E128-S258 WeakPolarHBondContact OE1-CB 3.09Å; E128-S258 PolarHBondContact OE1-OG 2.9Å; S234-S258 WeakPolarHBondContact CB-O 3.36Å; S234-S258 PolarHBondContact OG-O 2.91Å; S258-S260 WeakPolarHBondContact OG-CB 3.46Å; S258-S260 PolarHBondContact OG-N 3.13Å; S258-S260 PolarHBondContact OG-OG 2.78Å
259	T	92.1	Very high	92	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	16%	0.157	C	C	.	.			trans	-116.3	30.8	166.9	51.9	0	0	0	0	111	E128 F129 V235 V262	E128-T259 PolarHBondContact OE2-N 2.87Å; E128-T259 PolarHBondContact OE2-OG1 2.94Å; F129-T259 WeakPolarHBondContact CB-O 3.4Å; F129-T259 WeakPolarHBondContact CB-OG1 3.29Å; F129-T259 PolarHBondContact N-O 2.68Å; F129-T259 PolarHBondContact N-OG1 2.99Å; V235-T259 HydrophobicContact CG2-CG2 3.87Å; T259-V262 HydrophobicContact CG2-CG2 4.21Å
260	S	92	Very high	91.6	Very high	21 Å²	21	27.7 Å²	27.7	15%	0.147	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-47.5	176.3	41.5	0	0	0	0	112.9	K126 S258 V262 R534	K126-S260 WeakPolarHBondContact O-CB 3.22Å; S258-S260 WeakPolarHBondContact OG-CB 3.46Å; S258-S260 PolarHBondContact OG-N 3.13Å; S258-S260 PolarHBondContact OG-OG 2.78Å; S260-V262 VanDerWaalsContact C-N 3.31Å; S260-V262 PolarHBondContact O-N 2.87Å; S260-R534 PolarHBondContact O-NH2 3.09Å
261	D	91.6	Very high	91.3	Very high	58 Å²	58	28.2 Å²	28.2	31%	0.31	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.7	-169.9	-54.3	-80.7	0	0	0	112.9	K126 E217 E218 T263	K126-D261 WeakPolarHBondContact CD-OD1 3.39Å; K126-D261 IonicContact NZ-OD1 2.67Å; K126-D261 PolarHBondContact NZ-OD1 2.85Å; E217-D261 WeakPolarHBondContact CA-O 3.5Å; E218-D261 HydrophobicContact CB-CB 4.45Å; E218-D261 HydrophobicContact CG-CB 4.41Å; E218-D261 PolarHBondContact N-O 2.71Å; D261-T263 PolarHBondContact O-N 3.28Å
262	V	93	Very high	91	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.			trans	-68.4	116.8	169.6	-174	0	0	0	0	109	F129 L215 Y216 E217 T259 S260 R534	F129-V262 HydrophobicContact CB-CB 3.98Å; F129-V262 HydrophobicContact CB-CG1 4.37Å; F129-V262 HydrophobicContact CB-CG2 4.35Å; F129-V262 HydrophobicContact CD1-CG1 4.26Å; F129-V262 HydrophobicContact CD2-CB 3.62Å; F129-V262 HydrophobicContact CD2-CG1 3.33Å; F129-V262 HydrophobicContact CE1-CG1 4.4Å; F129-V262 HydrophobicContact CE2-CB 4.29Å; F129-V262 HydrophobicContact CE2-CG1 3.51Å; F129-V262 HydrophobicContact CG-CB 3.89Å; F129-V262 HydrophobicContact CG-CG1 3.74Å; F129-V262 HydrophobicContact CZ-CG1 4.05Å; L215-V262 HydrophobicContact CD1-CG1 3.57Å; L215-V262 HydrophobicContact CD1-CG2 4.22Å; L215-V262 HydrophobicContact CD2-CG2 4.42Å; L215-V262 HydrophobicContact CG-CG1 4.2Å; L215-V262 HydrophobicContact CG-CG2 4.43Å; Y216-V262 CarbonylContact O-C 3.54Å; Y216-V262 WeakPolarHBondContact O-CA 3.41Å; E217-V262 HydrophobicContact CG-CB 4.41Å; E217-V262 HydrophobicContact CG-CG2 3.7Å; T259-V262 HydrophobicContact CG2-CG2 4.21Å; S260-V262 VanDerWaalsContact C-N 3.31Å; S260-V262 PolarHBondContact O-N 2.87Å; V262-R534 PolarHBondContact O-NE 3.23Å; V262-R534 PolarHBondContact O-NH2 2.95Å
263	T	93.6	Very high	90.7	Very high	28 Å²	28	30.1 Å²	30.1	17%	0.172	17%	0.174	C	C	.	.			trans	-92	-34.6	173.8	55.5	0	0	0	0	112.5	Y216 D261 R534 F537	Y216-T263 WeakPolarHBondContact CD1-OG1 3.47Å; Y216-T263 PolarHBondContact O-N 2.75Å; Y216-T263 PolarHBondContact O-OG1 2.86Å; D261-T263 PolarHBondContact O-N 3.28Å; T263-R534 VanDerWaalsContact O-CB 3.26Å; T263-R534 WeakPolarHBondContact O-CB 3.43Å; T263-R534 PolarHBondContact O-N 2.72Å; T263-F537 HydrophobicContact CG2-CE1 4.25Å; T263-F537 HydrophobicContact CG2-CE2 3.91Å; T263-F537 HydrophobicContact CG2-CZ 3.38Å
264	R	95.1	Very high	90.5	Very high	19 Å²	19	30.6 Å²	30.6	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.9	-171.6	-162	172.5	-177.3	134.9	12.6	112.6	Y216 E322 S531 L532 I533 N671 N672 N673	Y216-R264 WeakPolarHBondContact CB-O 3.39Å; Y216-R264 HydrophobicContact CD1-CB 3.73Å; Y216-R264 HydrophobicContact CG-CB 4Å; Y216-R264 PolarHBondContact N-O 3.11Å; Y216-R264 PolarHBondContact O-N 2.8Å; R264-E322 IonicContact CZ-OE2 2.8Å; R264-E322 IonicContact NH1-OE2 2.68Å; R264-E322 IonicContact NH2-OE2 3.54Å; R264-E322 PolarHBondContact NH2-OE2 2.67Å; R264-S531 VanDerWaalsContact CZ-OG 3.27Å; R264-S531 PolarHBondContact NE-OG 3.26Å; R264-S531 PolarHBondContact NH2-OG 3.2Å; R264-L532 CarbonylContact C-O 3.56Å; R264-L532 WeakPolarHBondContact CA-O 3.4Å; R264-L532 WeakPolarHBondContact CG-O 3.24Å; R264-I533 HydrophobicContact CB-CG2 4.17Å; R264-I533 HydrophobicContact CG-CB 4.27Å; R264-I533 HydrophobicContact CG-CG1 4.1Å; R264-I533 HydrophobicContact CG-CG2 4.03Å; R264-N671 WeakPolarHBondContact CD-ND2 3.3Å; R264-N672 PolarHBondContact NE-OD1 3.1Å; R264-N672 PolarHBondContact NH1-ND2 2.76Å; R264-N672 PolarHBondContact NH1-OD1 2.87Å; R264-N672 PolarHBondContact NH2-OD1 3.06Å; R264-N673 PolarHBondContact NH2-ND2 2.87Å; R264-N673 PolarHBondContact NH2-OD1 3.23Å
265	L	95.3	Very high	90.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	133	170.8	174.4	82.5	0	0	0	107.9	F129 I132 L215 L229 I251 I267 L532	F129-L265 HydrophobicContact CE1-CB 3.98Å; F129-L265 HydrophobicContact CE1-CD2 4.25Å; F129-L265 HydrophobicContact CZ-CB 3.69Å; I132-L265 HydrophobicContact CG2-CD2 3.7Å; L215-L265 HydrophobicContact CB-CD1 4.3Å; L215-L265 HydrophobicContact CD1-CB 4.33Å; L215-L265 HydrophobicContact CD1-CD1 3.65Å; L229-L265 HydrophobicContact CD1-CD1 4.28Å; I251-L265 HydrophobicContact CD1-CD2 4.33Å; I251-L265 HydrophobicContact CG2-CD2 4.28Å; L265-I267 HydrophobicContact CD2-CD1 3.97Å; L265-I267 HydrophobicContact CD2-CG1 4.18Å; L265-I267 HydrophobicContact CG-CG1 4.24Å; L265-L532 PolarHBondContact N-O 2.84Å; L265-L532 PolarHBondContact O-N 2.83Å
266	I	95.1	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.1	170.5	-91.1	163.2	0	0	0	111.7	C213 M214 Y529 I530 S531 N671 N672	C213-I266 VanDerWaalsContact CA-O 3.25Å; C213-I266 WeakPolarHBondContact CA-O 3.04Å; M214-I266 HydrophobicContact CE-CG2 3.85Å; M214-I266 HydrophobicContact CG-CG2 4.31Å; M214-I266 PolarHBondContact N-O 3.35Å; M214-I266 PolarHBondContact O-N 2.57Å; I266-Y529 HydrophobicContact CB-CE1 4.42Å; I266-Y529 HydrophobicContact CD1-CE1 3.49Å; I266-Y529 VanDerWaalsContact CD1-CE1 3.49Å; I266-Y529 WeakPolarHBondContact CD1-OH 3.45Å; I266-Y529 HydrophobicContact CG1-CE1 3.79Å; I266-Y529 HydrophobicContact CG2-CD1 4.47Å; I266-Y529 HydrophobicContact CG2-CE1 3.73Å; I266-Y529 HydrophobicContact CG2-CE2 4Å; I266-Y529 VanDerWaalsContact CG2-CZ 3.49Å; I266-I530 WeakPolarHBondContact CA-O 3.31Å; I266-I530 WeakPolarHBondContact CG1-O 3.42Å; I266-S531 WeakPolarHBondContact CD1-OG 3.37Å; I266-S531 VanDerWaalsContact CG1-CA 3.44Å; I266-S531 VanDerWaalsContact CG1-CB 3.44Å; I266-N671 HydrophobicContact CB-CB 4.48Å; I266-N671 VanDerWaalsContact CB-OD1 3.22Å; I266-N671 WeakPolarHBondContact CB-OD1 3.3Å; I266-N671 HydrophobicContact CD1-CB 3.44Å; I266-N671 VanDerWaalsContact CD1-CB 3.44Å; I266-N671 WeakPolarHBondContact CD1-OD1 3.28Å; I266-N671 HydrophobicContact CG1-CB 4.4Å; I266-N671 WeakPolarHBondContact CG1-OD1 3.15Å; I266-N672 WeakPolarHBondContact CD1-OD1 3.36Å
267	I	94.3	Very high	90.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.2	-174.4	-50.8	173.7	0	0	0	107.4	I132 L134 L210 I251 L265 A269 I530	I132-I267 HydrophobicContact CD1-CD1 4.16Å; L134-I267 HydrophobicContact CD1-CD1 3.7Å; L134-I267 HydrophobicContact CD2-CD1 3.73Å; L134-I267 HydrophobicContact CD2-CG2 4.29Å; L134-I267 HydrophobicContact CG-CD1 4.35Å; L210-I267 HydrophobicContact CD2-CG2 3.93Å; I251-I267 HydrophobicContact CD1-CD1 3.8Å; I251-I267 HydrophobicContact CD1-CG1 4.36Å; L265-I267 HydrophobicContact CD2-CD1 3.97Å; L265-I267 HydrophobicContact CD2-CG1 4.18Å; L265-I267 HydrophobicContact CG-CG1 4.24Å; I267-A269 HydrophobicContact CG2-CB 4.41Å; I267-I530 HydrophobicContact CB-CB 4.34Å; I267-I530 PolarHBondContact N-O 3.19Å; I267-I530 PolarHBondContact O-N 3.25Å
268	L	91.6	Very high	90.8	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.8	166.3	174.8	49.8	0	0	0	108.1	Y211 H212 W458 F522 H527	Y211-L268 WeakPolarHBondContact CB-O 3.34Å; Y211-L268 PolarHBondContact N-O 2.72Å; H212-L268 HydrophobicContact CB-CB 4.23Å; H212-L268 PolarHBondContact N-O 3Å; H212-L268 PolarHBondContact O-N 2.87Å; L268-W458 HydrophobicContact CD1-CH2 3.48Å; L268-W458 VanDerWaalsContact CD1-CH2 3.48Å; L268-W458 HydrophobicContact CD1-CZ3 3.9Å; L268-W458 HydrophobicContact CD2-CH2 4.4Å; L268-F522 HydrophobicContact CD2-CE1 4.04Å; L268-H527 HydrophobicContact CD1-CB 4.11Å
269	A	92	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.5	-177	0	0	0	0	0	111.8	M209 I267 I295 H527 T528	M209-A269 CarbonylContact O-C 3.57Å; M209-A269 WeakPolarHBondContact O-CA 3.42Å; I267-A269 HydrophobicContact CG2-CB 4.41Å; A269-I295 HydrophobicContact CB-CD1 3.42Å; A269-I295 VanDerWaalsContact CB-CD1 3.42Å; A269-H527 WeakPolarHBondContact O-CA 3.13Å; A269-T528 HydrophobicContact CB-CG2 4Å; A269-T528 PolarHBondContact N-O 3.32Å; A269-T528 PolarHBondContact O-N 2.8Å
270	H	88	Confident	90	Very high	32 Å²	32	30 Å²	30	15%	0.148	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.1	179	166.7	-132	0	0	0	109.4	M209 T526 H527	M209-H270 WeakPolarHBondContact CG-O 3.45Å; M209-H270 PolarHBondContact O-N 2.93Å; H270-T526 PolarHBondContact CD2-OG1 2.04Å; H270-H527 AromaticContact CD2-CE1 3.49Å; H270-H527 PolarHBondContact CD2-CE1 3.4Å; H270-H527 VanDerWaalsContact CD2-CE1 3.49Å; H270-H527 AromaticContact CD2-NE2 3.81Å; H270-H527 AromaticContact CG-NE2 3.85Å
271	L	89.2	Confident	89.6	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.063	17%	0.169	C	C	.	.			trans	-96.4	150.3	-179.4	-70.4	164.2	0	0	0	112.1	A136 P273 I295 P317 T526 T528	A136-L271 HydrophobicContact CB-CD2 4.01Å; L271-P273 WeakPolarHBondContact O-CD 3.49Å; L271-I295 HydrophobicContact CD1-CG1 4.26Å; L271-I295 HydrophobicContact CD2-CD1 4.05Å; L271-I295 HydrophobicContact CD2-CG1 3.47Å; L271-I295 VanDerWaalsContact CD2-CG1 3.47Å; L271-I295 HydrophobicContact CG-CD1 4.5Å; L271-I295 HydrophobicContact CG-CG1 4.15Å; L271-P317 HydrophobicContact CD1-CB 3.82Å; L271-T526 VanDerWaalsContact CB-O 3.25Å; L271-T526 WeakPolarHBondContact CB-O 3.4Å; L271-T526 PolarHBondContact N-O 3.21Å; L271-T526 VanDerWaalsContact N-O 3.1Å; L271-T526 WeakPolarHBondContact O-CB 3.5Å; L271-T526 PolarHBondContact O-OG1 2.91Å; L271-T526 VanDerWaalsContact O-OG1 3.13Å; L271-T528 HydrophobicContact CD1-CG2 4.03Å; L271-T528 HydrophobicContact CG-CG2 4.45Å
272	I	88.5	Confident	89.2	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.092	18%	0.181	C	C	.	.			trans	-109.9	108.2	172.6	-66.9	160.7	0	0	0	107.4	N138 L142 L274 K276 I277	N138-I272 WeakPolarHBondContact CB-O 3.47Å; N138-I272 PolarHBondContact ND2-O 3.46Å; L142-I272 HydrophobicContact CB-CD1 4.34Å; L142-I272 HydrophobicContact CD1-CD1 4.2Å; L142-I272 HydrophobicContact CD1-CG1 4.17Å; L142-I272 HydrophobicContact CD2-CG2 3.71Å; L142-I272 HydrophobicContact CG-CD1 3.77Å; L142-I272 HydrophobicContact CG-CG1 3.94Å; L142-I272 HydrophobicContact CG-CG2 3.77Å; I272-L274 PolarHBondContact O-N 3.38Å; I272-K276 HydrophobicContact CG2-CB 4.49Å; I272-I277 HydrophobicContact CG2-CD1 3.95Å; I272-I277 HydrophobicContact CG2-CG1 4.31Å
273	P	86.8	Confident	88.9	Confident	28 Å²	28	35.7 Å²	35.7	18%	0.182	19%	0.185	C	C	.	.			trans	-60.3	131.6	173.6	-25.3	34.2	0	0	0	110.6	L271 K275 K276 T526	L271-P273 WeakPolarHBondContact O-CD 3.49Å; P273-K275 PolarHBondContact O-N 3.15Å; P273-K276 WeakPolarHBondContact O-CB 3.32Å; P273-K276 PolarHBondContact O-N 3.22Å; P273-T526 HydrophobicContact CG-CG2 3.45Å; P273-T526 VanDerWaalsContact CG-CG2 3.45Å
274	L	86.7	Confident	88.7	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.063	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.6	-27.3	-176.3	-172	68.6	0	0	0	112.8	N138 F140 I272 K276 I277 A280 R291	N138-L274 VanDerWaalsContact OD1-CD1 3.29Å; N138-L274 WeakPolarHBondContact OD1-CD1 3.37Å; F140-L274 HydrophobicContact CD2-CD1 3.69Å; F140-L274 HydrophobicContact CE2-CD1 4.17Å; I272-L274 PolarHBondContact O-N 3.38Å; L274-K276 PolarHBondContact O-N 3.46Å; L274-K276 VanDerWaalsContact O-N 3.15Å; L274-I277 HydrophobicContact CD1-CB 4.33Å; L274-I277 HydrophobicContact CD1-CG1 4.42Å; L274-I277 VanDerWaalsContact O-CB 3.3Å; L274-I277 WeakPolarHBondContact O-CB 3.3Å; L274-I277 PolarHBondContact O-N 3Å; L274-A280 HydrophobicContact CD1-CB 3.64Å; L274-A280 HydrophobicContact CG-CB 4.08Å; L274-R291 VanDerWaalsContact CD2-CD 3.48Å
275	K	85.6	Confident	88.3	Confident	134 Å²	134	38.3 Å²	38.3	58%	0.583	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-55.3	-28.8	174.8	-52.6	179.5	-174.7	87.4	0	113.1	P273 I277 N281 E293	P273-K275 PolarHBondContact O-N 3.15Å; K275-I277 VanDerWaalsContact C-N 3.26Å; K275-I277 PolarHBondContact O-N 3.23Å; K275-N281 PolarHBondContact O-ND2 2.76Å; K275-N281 VanDerWaalsContact O-ND2 3.11Å; K275-E293 VanDerWaalsContact NZ-CD 3.31Å; K275-E293 IonicContact NZ-OE1 3.7Å; K275-E293 PolarHBondContact NZ-OE1 3.19Å; K275-E293 IonicContact NZ-OE2 3.39Å; K275-E293 PolarHBondContact NZ-OE2 2.65Å; K275-E293 VanDerWaalsContact NZ-OE2 3.13Å
276	K	87.3	Confident	87.8	Confident	80 Å²	80	41.3 Å²	41.3	35%	0.348	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-76.7	-3.5	175.2	-58	-176.5	-176	173.7	0	113.3	L142 N145 I272 P273 L274 D524	L142-K276 HydrophobicContact CD2-CB 3.76Å; L142-K276 HydrophobicContact CD2-CD 4.2Å; N145-K276 PolarHBondContact ND2-O 3.38Å; I272-K276 HydrophobicContact CG2-CB 4.49Å; P273-K276 WeakPolarHBondContact O-CB 3.32Å; P273-K276 PolarHBondContact O-N 3.22Å; L274-K276 PolarHBondContact O-N 3.46Å; L274-K276 VanDerWaalsContact O-N 3.15Å; K276-D524 IonicContact NZ-OD2 3.78Å; K276-D524 PolarHBondContact NZ-OD2 3.4Å
277	I	90.8	Very high	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.			trans	-107.5	98	-174.9	-54.4	-62.9	0	0	0	109.8	F140 L142 V144 N145 W148 I272 L274 K275 G279 A280 N281	F140-I277 HydrophobicContact CB-CD1 4.23Å; F140-I277 HydrophobicContact CB-CG1 4.18Å; F140-I277 HydrophobicContact CB-CG2 4.13Å; F140-I277 HydrophobicContact CD2-CG2 4.17Å; F140-I277 HydrophobicContact CG-CG2 4.38Å; L142-I277 HydrophobicContact CD2-CD1 4.28Å; V144-I277 HydrophobicContact CG1-CD1 4.27Å; V144-I277 HydrophobicContact CG1-CG2 3.77Å; N145-I277 WeakPolarHBondContact OD1-CA 3.27Å; W148-I277 HydrophobicContact CH2-CG2 3.7Å; W148-I277 HydrophobicContact CZ3-CG2 3.51Å; I272-I277 HydrophobicContact CG2-CD1 3.95Å; I272-I277 HydrophobicContact CG2-CG1 4.31Å; L274-I277 HydrophobicContact CD1-CB 4.33Å; L274-I277 HydrophobicContact CD1-CG1 4.42Å; L274-I277 VanDerWaalsContact O-CB 3.3Å; L274-I277 WeakPolarHBondContact O-CB 3.3Å; L274-I277 PolarHBondContact O-N 3Å; K275-I277 VanDerWaalsContact C-N 3.26Å; K275-I277 PolarHBondContact O-N 3.23Å; I277-G279 PolarHBondContact O-N 2.9Å; I277-A280 HydrophobicContact CB-CB 4.08Å; I277-A280 HydrophobicContact CG2-CB 3.72Å; I277-A280 PolarHBondContact O-N 3.02Å; I277-A280 VanDerWaalsContact O-N 3.12Å; I277-N281 PolarHBondContact O-N 3.47Å; I277-N281 PolarHBondContact O-ND2 3.2Å
278	E	88.2	Confident	86.9	Confident	149 Å²	149	45.1 Å²	45.1	70%	0.696	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-44.2	-165.7	-64.5	-176.3	176.2	0	0	113.2	N145 A280 N281	N145-E278 PolarHBondContact OD1-N 3.41Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 3.36Å; E278-N281 PolarHBondContact O-N 3.31Å
279	G	80.9	Confident	86.5	Confident	19 Å²	19	51.6 Å²	51.6	20%	0.196	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.4	-179.6	0	0	0	0	0	114.4	W148 I277 S283	W148-G279 VanDerWaalsContact CZ3-CA 3.48Å; I277-G279 PolarHBondContact O-N 2.9Å; G279-S283 PolarHBondContact O-OG 3.48Å
280	A	84.8	Confident	86	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.033	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-77.2	-31.4	177.1	0	0	0	0	0	112	F140 L274 I277 E278 T282 S283 F284	F140-A280 HydrophobicContact CD2-CB 4.32Å; F140-A280 HydrophobicContact CE2-CB 4.28Å; L274-A280 HydrophobicContact CD1-CB 3.64Å; L274-A280 HydrophobicContact CG-CB 4.08Å; I277-A280 HydrophobicContact CB-CB 4.08Å; I277-A280 HydrophobicContact CG2-CB 3.72Å; I277-A280 PolarHBondContact O-N 3.02Å; I277-A280 VanDerWaalsContact O-N 3.12Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 3.36Å; A280-T282 PolarHBondContact O-N 3.42Å; A280-S283 PolarHBondContact O-N 3.46Å; A280-S283 VanDerWaalsContact O-N 3.09Å; A280-F284 HydrophobicContact CB-CD2 3.89Å; A280-F284 HydrophobicContact CB-CE2 3.88Å
281	N	82.8	Confident	85.2	Confident	97 Å²	97	58.8 Å²	58.8	52%	0.519	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.6	-2.8	-178.5	-70.7	-31.9	0	0	0	115.4	K275 I277 E278	K275-N281 PolarHBondContact O-ND2 2.76Å; K275-N281 VanDerWaalsContact O-ND2 3.11Å; I277-N281 PolarHBondContact O-N 3.47Å; I277-N281 PolarHBondContact O-ND2 3.2Å; E278-N281 PolarHBondContact O-N 3.31Å
282	T	83	Confident	84.9	Confident	92 Å²	92	59.6 Å²	59.6	56%	0.564	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-131.1	7	178.3	56.6	0	0	0	0	114.5	K160 A280	K160-T282 PolarHBondContact NZ-O 2.89Å; A280-T282 PolarHBondContact O-N 3.42Å
283	S	87.4	Confident	84.8	Confident	10 Å²	10	63 Å²	63	7%	0.07	33%	0.325	C	S	.	.	S	Bend	trans	-131.3	-175.1	-176.9	-49.8	0	0	0	0	109.7	P156 G279 A280 I285	P156-S283 WeakPolarHBondContact CB-OG 3.34Å; G279-S283 PolarHBondContact O-OG 3.48Å; A280-S283 PolarHBondContact O-N 3.46Å; A280-S283 VanDerWaalsContact O-N 3.09Å; S283-I285 VanDerWaalsContact C-N 3.29Å; S283-I285 PolarHBondContact O-N 2.87Å
284	F	89.8	Confident	85	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.319	C	S	.	.			trans	61.6	36.4	171.6	-47.5	-50.2	0	0	0	113.4	F140 P156 D186 S187 I188 Y191 A280 M286 D287	F140-F284 HydrophobicContact CE2-CD2 4.06Å; F140-F284 AromaticContact CE2-CE2 3.38Å; F140-F284 HydrophobicContact CE2-CE2 3.38Å; F140-F284 AromaticContact CE2-CZ 3.87Å; F140-F284 HydrophobicContact CE2-CZ 3.87Å; F140-F284 HydrophobicContact CZ-CD2 4.47Å; F140-F284 HydrophobicContact CZ-CE1 4.43Å; F140-F284 AromaticContact CZ-CE2 3.53Å; F140-F284 HydrophobicContact CZ-CE2 3.53Å; F140-F284 AromaticContact CZ-CZ 3.48Å; F140-F284 HydrophobicContact CZ-CZ 3.48Å; F140-F284 VanDerWaalsContact CZ-CZ 3.48Å; P156-F284 HydrophobicContact CB-CE1 4.26Å; P156-F284 HydrophobicContact CB-CE2 4.04Å; P156-F284 HydrophobicContact CB-CZ 3.66Å; P156-F284 HydrophobicContact CG-CE1 4.42Å; P156-F284 HydrophobicContact CG-CE2 3.73Å; P156-F284 HydrophobicContact CG-CZ 3.43Å; P156-F284 VanDerWaalsContact CG-CZ 3.43Å; D186-F284 VanDerWaalsContact CG-N 3.31Å; D186-F284 CarbonylContact O-C 3.52Å; D186-F284 VanDerWaalsContact O-CA 3.27Å; D186-F284 WeakPolarHBondContact O-CA 3.35Å; D186-F284 PolarHBondContact OD1-N 2.93Å; D186-F284 PolarHBondContact OD2-N 3.45Å; S187-F284 VanDerWaalsContact C-CD1 3.48Å; I188-F284 HydrophobicContact CB-CD1 4.43Å; I188-F284 HydrophobicContact CG1-CB 4.29Å; I188-F284 HydrophobicContact CG1-CD1 3.71Å; I188-F284 HydrophobicContact CG1-CD2 4.22Å; I188-F284 HydrophobicContact CG1-CE1 3.99Å; I188-F284 HydrophobicContact CG1-CE2 4.48Å; I188-F284 HydrophobicContact CG1-CG 3.81Å; I188-F284 HydrophobicContact CG1-CZ 4.35Å; Y191-F284 HydrophobicContact CD1-CE1 4.23Å; Y191-F284 AromaticContact CD1-CZ 3.96Å; Y191-F284 HydrophobicContact CD1-CZ 3.96Å; Y191-F284 AromaticContact CG-CE1 3.97Å; Y191-F284 HydrophobicContact CG-CE1 3.97Å; Y191-F284 HydrophobicContact CG-CZ 4.05Å; A280-F284 HydrophobicContact CB-CD2 3.89Å; A280-F284 HydrophobicContact CB-CE2 3.88Å; F284-M286 VanDerWaalsContact C-N 3.27Å; F284-M286 PolarHBondContact O-N 3.06Å; F284-D287 HydrophobicContact CB-CB 4.45Å; F284-D287 PolarHBondContact O-N 2.84Å
285	I	86.4	Confident	85.3	Confident	95 Å²	95	61.3 Å²	61.3	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.1	-173.2	-67.4	171.6	0	0	0	110.8	D186 S283 S288	D186-I285 PolarHBondContact O-N 3.3Å; D186-I285 WeakPolarHBondContact OD2-CG1 3.05Å; D186-I285 PolarHBondContact OD2-N 3.45Å; S283-I285 VanDerWaalsContact C-N 3.29Å; S283-I285 PolarHBondContact O-N 2.87Å; I285-S288 WeakPolarHBondContact O-CB 3.39Å; I285-S288 PolarHBondContact O-N 2.63Å; I285-S288 PolarHBondContact O-OG 3.24Å
286	M	85.4	Confident	85.8	Confident	65 Å²	65	56 Å²	56	32%	0.32	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-73.5	-27.4	-177.4	-65.6	-45.4	-164	0	0	114.2	F184 D186 F284 S288 F289	F184-M286 HydrophobicContact CB-CE 3.54Å; F184-M286 HydrophobicContact CD1-CE 3.27Å; F184-M286 HydrophobicContact CE1-CE 4.1Å; F184-M286 HydrophobicContact CG-CE 3.56Å; F184-M286 WeakPolarHBondContact O-CG 3.4Å; D186-M286 PolarHBondContact O-N 3.29Å; F284-M286 VanDerWaalsContact C-N 3.27Å; F284-M286 PolarHBondContact O-N 3.06Å; M286-S288 PolarHBondContact O-N 2.91Å; M286-F289 WeakPolarHBondContact O-CD2 3.42Å; M286-F289 PolarHBondContact O-N 3.07Å; M286-F289 HydrophobicContact SD-CD2 4.48Å; M286-F289 HydrophobicContact SD-CE2 4.09Å
287	D	87.1	Confident	86.2	Confident	16 Å²	16	52.3 Å²	52.3	9%	0.086	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.9	-16.1	174.4	-55.9	-53.3	0	0	0	111.6	S187 I188 F284 F289 T290 R291	S187-D287 WeakPolarHBondContact CA-OD2 3.22Å; I188-D287 HydrophobicContact CD1-CB 4.31Å; I188-D287 WeakPolarHBondContact CG1-OD2 3.19Å; I188-D287 PolarHBondContact N-OD2 3.22Å; F284-D287 HydrophobicContact CB-CB 4.45Å; F284-D287 PolarHBondContact O-N 2.84Å; D287-F289 PolarHBondContact O-N 3.13Å; D287-T290 PolarHBondContact O-N 3.28Å; D287-T290 PolarHBondContact O-OG1 3.41Å; D287-R291 WeakPolarHBondContact O-CB 3.27Å; D287-R291 PolarHBondContact O-N 3.05Å
288	S	83.5	Confident	86.4	Confident	64 Å²	64	52.4 Å²	52.4	45%	0.448	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57.2	-21.9	175.3	-53.9	0	0	0	0	113.8	I285 M286	I285-S288 WeakPolarHBondContact O-CB 3.39Å; I285-S288 PolarHBondContact O-N 2.63Å; I285-S288 PolarHBondContact O-OG 3.24Å; M286-S288 PolarHBondContact O-N 2.91Å
289	F	81.5	Confident	86.8	Confident	149 Å²	149	46.8 Å²	46.8	65%	0.654	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-89	-16.5	176.8	-58.4	-72	0	0	0	114	M286 D287	M286-F289 WeakPolarHBondContact O-CD2 3.42Å; M286-F289 PolarHBondContact O-N 3.07Å; M286-F289 HydrophobicContact SD-CD2 4.48Å; M286-F289 HydrophobicContact SD-CE2 4.09Å; D287-F289 PolarHBondContact O-N 3.13Å
290	T	81.5	Confident	87.6	Confident	61 Å²	61	46.7 Å²	46.7	37%	0.374	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-10	-174.6	57.2	0	0	0	0	113.8	D287 G292	D287-T290 PolarHBondContact O-N 3.28Å; D287-T290 PolarHBondContact O-OG1 3.41Å; T290-G292 PolarHBondContact O-N 2.84Å
291	R	72.7	Confident	88	Confident	123 Å²	123	47.6 Å²	47.6	46%	0.464	25%	0.25	S	C	.	.			trans	-71.6	109.6	-176.6	179.1	-172.7	70.6	-152.9	-0.9	112.6	L274 D287	L274-R291 VanDerWaalsContact CD2-CD 3.48Å; D287-R291 WeakPolarHBondContact O-CB 3.27Å; D287-R291 PolarHBondContact O-N 3.05Å
292	G	82.4	Confident	88.5	Confident	29 Å²	29	45 Å²	45	30%	0.299	23%	0.234	S	C	.	.			trans	-78.3	167.3	157.6	0	0	0	0	0	112.7	H137 T290	H137-G292 WeakPolarHBondContact CB-O 3.34Å; T290-G292 PolarHBondContact O-N 2.84Å
293	E	85.8	Confident	88.9	Confident	88 Å²	88	41.1 Å²	41.1	41%	0.411	21%	0.212	S	C	.	.	S	Bend	trans	-114.5	124.3	158.2	-67.4	-175.5	169.1	0	0	106.3	K275 P317	K275-E293 VanDerWaalsContact NZ-CD 3.31Å; K275-E293 IonicContact NZ-OE1 3.7Å; K275-E293 PolarHBondContact NZ-OE1 3.19Å; K275-E293 IonicContact NZ-OE2 3.39Å; K275-E293 PolarHBondContact NZ-OE2 2.65Å; K275-E293 VanDerWaalsContact NZ-OE2 3.13Å; E293-P317 VanDerWaalsContact O-CD 3.22Å; E293-P317 WeakPolarHBondContact O-CD 3.26Å
294	G	91.4	Very high	89.2	Confident	5 Å²	5	41 Å²	41	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	148	-167.9	-169	0	0	0	0	0	113.5	H137 I315	H137-G294 PolarHBondContact N-O 3Å; G294-I315 WeakPolarHBondContact CA-O 3.35Å
295	I	93.7	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.2	171.4	-61.1	-172.9	0	0	0	109	L134 C135 M209 A269 L271 V297 I315 T528 I530	L134-I295 HydrophobicContact CB-CG2 4.06Å; L134-I295 HydrophobicContact CD2-CG2 4.33Å; C135-I295 CarbonylContact O-C 3.55Å; C135-I295 WeakPolarHBondContact O-CA 3.36Å; C135-I295 WeakPolarHBondContact O-CG2 3.48Å; M209-I295 HydrophobicContact CE-CD1 4.38Å; A269-I295 HydrophobicContact CB-CD1 3.42Å; A269-I295 VanDerWaalsContact CB-CD1 3.42Å; L271-I295 HydrophobicContact CD1-CG1 4.26Å; L271-I295 HydrophobicContact CD2-CD1 4.05Å; L271-I295 HydrophobicContact CD2-CG1 3.47Å; L271-I295 VanDerWaalsContact CD2-CG1 3.47Å; L271-I295 HydrophobicContact CG-CD1 4.5Å; L271-I295 HydrophobicContact CG-CG1 4.15Å; I295-V297 HydrophobicContact CG2-CG2 3.69Å; I295-I315 HydrophobicContact CB-CB 4.26Å; I295-I315 PolarHBondContact N-O 2.91Å; I295-I315 WeakPolarHBondContact O-CB 3.07Å; I295-I315 PolarHBondContact O-N 2.99Å; I295-T528 HydrophobicContact CD1-CG2 3.66Å; I295-T528 HydrophobicContact CG1-CG2 4.04Å; I295-I530 HydrophobicContact CB-CD1 4.49Å; I295-I530 HydrophobicContact CD1-CD1 4.1Å; I295-I530 HydrophobicContact CG2-CD1 4.4Å
296	K	94.7	Very high	89.8	Confident	22 Å²	22	37 Å²	37	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.2	163.8	-164.2	170.2	-177.4	175	0	108.9	C135 Y245 I308 E309 G312 V313	C135-K296 PolarHBondContact N-O 3.05Å; C135-K296 PolarHBondContact O-N 3.4Å; Y245-K296 HydrophobicContact CE2-CD 4Å; Y245-K296 VanDerWaalsContact OH-CD 3.23Å; Y245-K296 WeakPolarHBondContact OH-CD 3.47Å; K296-I308 HydrophobicContact CB-CD1 3.9Å; K296-I308 HydrophobicContact CB-CG1 4.44Å; K296-I308 HydrophobicContact CD-CD1 4.29Å; K296-I308 HydrophobicContact CD-CG1 4.02Å; K296-I308 VanDerWaalsContact CE-O 3.31Å; K296-I308 WeakPolarHBondContact CE-O 3.42Å; K296-I308 HydrophobicContact CG-CD1 3.91Å; K296-I308 HydrophobicContact CG-CG1 3.88Å; K296-E309 IonicContact NZ-OE1 3.8Å; K296-E309 PolarHBondContact NZ-OE1 2.92Å; K296-G312 WeakPolarHBondContact CE-O 3.47Å; K296-V313 CarbonylContact C-O 3.56Å; K296-V313 WeakPolarHBondContact CA-O 3.44Å
297	V	95.9	Very high	90.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.3	-171.8	175.1	0	0	0	0	110	I132 T133 L134 I295 G312 V313 I315 I323 I530	I132-V297 HydrophobicContact CD1-CG1 3.6Å; I132-V297 HydrophobicContact CG1-CG1 3.59Å; T133-V297 WeakPolarHBondContact O-CA 3.43Å; L134-V297 HydrophobicContact CD2-CG2 4.05Å; L134-V297 HydrophobicContact CG-CG2 4.08Å; I295-V297 HydrophobicContact CG2-CG2 3.69Å; V297-G312 CarbonylContact O-C 3.55Å; V297-G312 VanDerWaalsContact O-CA 3.24Å; V297-G312 WeakPolarHBondContact O-CA 3.43Å; V297-V313 PolarHBondContact N-O 2.85Å; V297-V313 PolarHBondContact O-N 3.25Å; V297-I315 HydrophobicContact CB-CG1 4.06Å; V297-I315 HydrophobicContact CG2-CD1 4.45Å; V297-I315 HydrophobicContact CG2-CG1 3.55Å; V297-I323 HydrophobicContact CG1-CD1 4.13Å; V297-I530 HydrophobicContact CG2-CD1 4.18Å
298	V	96.4	Very high	90.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.9	172.6	61.6	0	0	0	0	110.8	T133 P306 I308 H311	T133-V298 PolarHBondContact N-O 2.99Å; T133-V298 PolarHBondContact O-N 3.25Å; V298-P306 HydrophobicContact CG1-CB 3.82Å; V298-I308 HydrophobicContact CB-CB 4.41Å; V298-I308 HydrophobicContact CB-CG1 4.24Å; V298-I308 HydrophobicContact CG1-CB 3.88Å; V298-I308 HydrophobicContact CG1-CG1 4.02Å; V298-H311 HydrophobicContact CG2-CB 3.82Å
299	I	96.9	Very high	90.8	Very high	30 Å²	30	34 Å²	34	15%	0.154	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.7	-179.2	-66.3	156.1	0	0	0	108.1	P130 A131 I132 I323 Y449 T451 L532	P130-I299 HydrophobicContact CB-CG2 3.69Å; P130-I299 HydrophobicContact CG-CG2 4.01Å; A131-I299 WeakPolarHBondContact O-CA 3.4Å; I132-I299 HydrophobicContact CG1-CG1 4.33Å; I299-I323 HydrophobicContact CD1-CB 4.34Å; I299-I323 HydrophobicContact CD1-CD1 4.18Å; I299-I323 HydrophobicContact CD1-CG2 3.54Å; I299-Y449 HydrophobicContact CG2-CD2 4.14Å; I299-Y449 HydrophobicContact CG2-CG 4.18Å; I299-T451 HydrophobicContact CB-CG2 4.48Å; I299-T451 HydrophobicContact CD1-CG2 3.8Å; I299-L532 HydrophobicContact CD1-CD1 3.51Å; I299-L532 HydrophobicContact CG1-CD1 4.17Å
300	H	96	Very high	91.3	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	167.7	-169.6	60.5	111.9	0	0	0	113	A131 T133 T304	A131-H300 PolarHBondContact N-O 3.3Å; A131-H300 PolarHBondContact O-CD2 3.16Å; A131-H300 VanDerWaalsContact O-CD2 3.28Å; A131-H300 PolarHBondContact O-N 2.62Å; T133-H300 PolarHBondContact OG1-NE2 3.02Å; H300-T304 PolarHBondContact CE1-O 3.27Å; H300-T304 PolarHBondContact ND1-O 3.32Å; H300-T304 PolarHBondContact ND1-OG1 2.74Å
301	E	94.5	Very high	91.8	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.103	17%	0.168	C	C	.	.			trans	-65	138.2	-179.6	177.4	-172.2	-125	0	0	111.5	G303 T304 R443 Y446 Y447	E301-G303 PolarHBondContact O-N 3.48Å; E301-T304 HydrophobicContact CB-CG2 3.78Å; E301-T304 HydrophobicContact CG-CG2 4.1Å; E301-T304 PolarHBondContact N-OG1 2.83Å; E301-T304 WeakPolarHBondContact O-CB 3.43Å; E301-T304 PolarHBondContact O-N 3.32Å; E301-T304 PolarHBondContact O-OG1 3.06Å; E301-T304 WeakPolarHBondContact OE2-CG2 3.5Å; E301-R443 VanDerWaalsContact CD-NH2 3.32Å; E301-R443 IonicContact OE1-CZ 3.7Å; E301-R443 IonicContact OE1-NH1 2.83Å; E301-R443 IonicContact OE1-NH2 3.75Å; E301-R443 PolarHBondContact OE1-NH2 2.76Å; E301-R443 IonicContact OE2-CZ 2.73Å; E301-R443 IonicContact OE2-NH1 3.82Å; E301-R443 PolarHBondContact OE2-NH1 2.98Å; E301-R443 IonicContact OE2-NH2 2.72Å; E301-R443 PolarHBondContact OE2-NH2 3.43Å; E301-R443 VanDerWaalsContact OE2-NH2 3.13Å; E301-Y446 WeakPolarHBondContact OE1-CA 3.49Å; E301-Y447 PolarHBondContact OE1-N 3.05Å
302	K	92.5	Very high	92.8	Very high	43 Å²	43	29.9 Å²	29.9	19%	0.187	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	125.4	178.5	-175.9	168	169.8	168.2	0	111.6	E128 G253 K254 A257 T304	E128-K302 IonicContact OE2-NZ 3.34Å; E128-K302 PolarHBondContact OE2-NZ 3.48Å; G253-K302 WeakPolarHBondContact O-CE 3.38Å; K254-K302 VanDerWaalsContact O-CE 3.29Å; K254-K302 WeakPolarHBondContact O-CE 3.24Å; K254-K302 PolarHBondContact O-NZ 3.21Å; A257-K302 PolarHBondContact O-NZ 3.27Å; K302-T304 VanDerWaalsContact C-N 3.3Å; K302-T304 PolarHBondContact O-N 3Å
303	G	91	Very high	93.3	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-7.1	-177.4	0	0	0	0	0	117.8	D252 E301 Y354 T355	D252-G303 PolarHBondContact OD2-N 2.91Å; E301-G303 PolarHBondContact O-N 3.48Å; G303-Y354 CarbonylContact O-C 3.05Å; G303-Y354 VanDerWaalsContact O-CA 3.26Å; G303-Y354 WeakPolarHBondContact O-CA 3.42Å; G303-T355 PolarHBondContact O-N 2.94Å; G303-T355 PolarHBondContact O-OG1 3.44Å
304	T	93.4	Very high	93.7	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-73.9	162.2	176.7	60.7	0	0	0	0	113.3	H300 E301 K302 Y354 T355	H300-T304 PolarHBondContact CE1-O 3.27Å; H300-T304 PolarHBondContact ND1-O 3.32Å; H300-T304 PolarHBondContact ND1-OG1 2.74Å; E301-T304 HydrophobicContact CB-CG2 3.78Å; E301-T304 HydrophobicContact CG-CG2 4.1Å; E301-T304 PolarHBondContact N-OG1 2.83Å; E301-T304 WeakPolarHBondContact O-CB 3.43Å; E301-T304 PolarHBondContact O-N 3.32Å; E301-T304 PolarHBondContact O-OG1 3.06Å; E301-T304 WeakPolarHBondContact OE2-CG2 3.5Å; K302-T304 VanDerWaalsContact C-N 3.3Å; K302-T304 PolarHBondContact O-N 3Å; T304-Y354 WeakPolarHBondContact O-CD1 3.38Å; T304-T355 HydrophobicContact CG2-CG2 4.41Å
305	Y	94.2	Very high	93.7	Very high	15 Å²	15	31.6 Å²	31.6	6%	0.059	16%	0.16	C	C	.	.			trans	-73.4	128.8	176.5	-173.8	-74.8	0	0	0	111.5	F240 E307 D349 Y354 Q360	F240-Y305 HydrophobicContact CE2-CE1 4.2Å; F240-Y305 AromaticContact CE2-CE2 3.91Å; F240-Y305 HydrophobicContact CE2-CE2 3.91Å; F240-Y305 AromaticContact CE2-CZ 3.68Å; F240-Y305 AromaticContact CZ-CE1 4Å; F240-Y305 HydrophobicContact CZ-CE1 4Å; F240-Y305 HydrophobicContact CZ-CE2 4.49Å; F240-Y305 AromaticContact CZ-CZ 3.82Å; Y305-E307 HydrophobicContact CD1-CG 4.32Å; Y305-E307 PolarHBondContact O-N 2.85Å; Y305-D349 HydrophobicContact CD2-CB 4.49Å; Y305-D349 HydrophobicContact CE2-CB 3.98Å; Y305-Y354 HydrophobicContact CD2-CD2 4.01Å; Y305-Y354 HydrophobicContact CD2-CE2 4.05Å; Y305-Y354 HydrophobicContact CD2-CG 4.29Å; Y305-Q360 HydrophobicContact CD1-CG 4.27Å; Y305-Q360 VanDerWaalsContact CE1-NE2 3.3Å; Y305-Q360 HydrophobicContact CG-CG 4.17Å
306	P	95.1	Very high	93.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.			trans	-74.4	104.6	179.6	28.9	-33.8	0	0	0	112.6	T133 F240 V298 I308	T133-P306 HydrophobicContact CG2-CB 3.93Å; T133-P306 HydrophobicContact CG2-CG 4.09Å; F240-P306 HydrophobicContact CB-CG 4.47Å; F240-P306 HydrophobicContact CD1-CG 3.58Å; F240-P306 HydrophobicContact CD2-CG 3.97Å; F240-P306 HydrophobicContact CE1-CG 3.66Å; F240-P306 HydrophobicContact CE2-CG 4.06Å; F240-P306 HydrophobicContact CG-CG 3.74Å; F240-P306 HydrophobicContact CZ-CG 3.91Å; V298-P306 HydrophobicContact CG1-CB 3.82Å; P306-I308 PolarHBondContact O-N 3.05Å
307	E	93	Very high	93.2	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.061	19%	0.189	C	C	.	.			trans	-82.1	62.5	175.2	-74.5	178.9	121.9	0	0	111.9	Y305 E309 K310 H311 K357 S359 Q360	Y305-E307 HydrophobicContact CD1-CG 4.32Å; Y305-E307 PolarHBondContact O-N 2.85Å; E307-E309 PolarHBondContact O-N 3.24Å; E307-K310 HydrophobicContact CB-CB 4.34Å; E307-K310 HydrophobicContact CB-CD 4.19Å; E307-K310 HydrophobicContact CB-CG 4.44Å; E307-K310 HydrophobicContact CG-CD 4.42Å; E307-K310 PolarHBondContact O-N 3.48Å; E307-K310 IonicContact OE1-NZ 2.63Å; E307-K310 PolarHBondContact OE1-NZ 2.86Å; E307-H311 PolarHBondContact O-N 2.83Å; E307-H311 VanDerWaalsContact O-N 3.07Å; E307-K357 WeakPolarHBondContact OE2-CD 3.43Å; E307-K357 VanDerWaalsContact OE2-CE 3.3Å; E307-K357 WeakPolarHBondContact OE2-CE 3.38Å; E307-K357 IonicContact OE2-NZ 3.84Å; E307-K357 PolarHBondContact OE2-NZ 2.8Å; E307-S359 WeakPolarHBondContact OE1-CB 3.49Å; E307-S359 PolarHBondContact OE1-OG 2.86Å; E307-S359 PolarHBondContact OE2-OG 3.19Å; E307-Q360 VanDerWaalsContact CG-NE2 3.34Å
308	I	93.5	Very high	92.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-36.9	-168.6	-165.8	172.4	0	0	0	114.7	C135 H242 Y245 K296 V298 P306 K310 G312	C135-I308 HydrophobicContact CB-CD1 3.63Å; C135-I308 WeakPolarHBondContact SG-CD1 3.38Å; H242-I308 VanDerWaalsContact CD2-CG2 3.46Å; H242-I308 WeakPolarHBondContact CD2-CG2 3.14Å; Y245-I308 HydrophobicContact CD2-CD1 4.45Å; Y245-I308 HydrophobicContact CD2-CG2 4.27Å; Y245-I308 HydrophobicContact CE2-CD1 4.44Å; Y245-I308 HydrophobicContact CE2-CG2 4.31Å; K296-I308 HydrophobicContact CB-CD1 3.9Å; K296-I308 HydrophobicContact CB-CG1 4.44Å; K296-I308 HydrophobicContact CD-CD1 4.29Å; K296-I308 HydrophobicContact CD-CG1 4.02Å; K296-I308 VanDerWaalsContact CE-O 3.31Å; K296-I308 WeakPolarHBondContact CE-O 3.42Å; K296-I308 HydrophobicContact CG-CD1 3.91Å; K296-I308 HydrophobicContact CG-CG1 3.88Å; V298-I308 HydrophobicContact CB-CB 4.41Å; V298-I308 HydrophobicContact CB-CG1 4.24Å; V298-I308 HydrophobicContact CG1-CB 3.88Å; V298-I308 HydrophobicContact CG1-CG1 4.02Å; P306-I308 PolarHBondContact O-N 3.05Å; I308-K310 PolarHBondContact O-N 3Å; I308-G312 WeakPolarHBondContact O-CA 3.48Å; I308-G312 PolarHBondContact O-N 3.19Å
309	E	91.1	Very high	92.6	Very high	70 Å²	70	40.4 Å²	40.4	33%	0.327	21%	0.211	S	C	.	.	H	α-helix	trans	-68.1	-18.9	176.1	-71	-63.2	77.7	0	0	113.5	K244 Y245 K296 E307	K244-E309 VanDerWaalsContact CD-OE2 3.27Å; K244-E309 WeakPolarHBondContact CD-OE2 3.45Å; K244-E309 WeakPolarHBondContact CE-OE2 3.49Å; K244-E309 IonicContact NZ-OE2 2.78Å; K244-E309 PolarHBondContact NZ-OE2 2.63Å; Y245-E309 WeakPolarHBondContact CE2-OE1 3.4Å; Y245-E309 PolarHBondContact OH-OE1 3.29Å; K296-E309 IonicContact NZ-OE1 3.8Å; K296-E309 PolarHBondContact NZ-OE1 2.92Å; E307-E309 PolarHBondContact O-N 3.24Å
310	K	91.4	Very high	92.4	Very high	119 Å²	119	39 Å²	39	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-97.5	-32.1	-178.5	-55.8	-177.6	-171	171.6	0	114.2	E307 I308	E307-K310 HydrophobicContact CB-CB 4.34Å; E307-K310 HydrophobicContact CB-CD 4.19Å; E307-K310 HydrophobicContact CB-CG 4.44Å; E307-K310 HydrophobicContact CG-CD 4.42Å; E307-K310 PolarHBondContact O-N 3.48Å; E307-K310 IonicContact OE1-NZ 2.63Å; E307-K310 PolarHBondContact OE1-NZ 2.86Å; I308-K310 PolarHBondContact O-N 3Å
311	H	92.7	Very high	92.3	Very high	110 Å²	110	38.1 Å²	38.1	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-133	4.3	-169.6	-56.7	-44.4	0	0	0	113	V298 E307	V298-H311 HydrophobicContact CG2-CB 3.82Å; E307-H311 PolarHBondContact O-N 2.83Å; E307-H311 VanDerWaalsContact O-N 3.07Å
312	G	93.1	Very high	92.4	Very high	18 Å²	18	38 Å²	38	19%	0.186	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-83	128.3	-179.9	0	0	0	0	0	112.9	K296 V297 I308	K296-G312 WeakPolarHBondContact CE-O 3.47Å; V297-G312 CarbonylContact O-C 3.55Å; V297-G312 VanDerWaalsContact O-CA 3.24Å; V297-G312 WeakPolarHBondContact O-CA 3.43Å; I308-G312 WeakPolarHBondContact O-CA 3.48Å; I308-G312 PolarHBondContact O-N 3.19Å
313	V	93.5	Very high	92.6	Very high	56 Å²	56	36.2 Å²	36.2	34%	0.339	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.8	176.9	-178.9	0	0	0	0	109.6	K296 V297 L453	K296-V313 CarbonylContact C-O 3.56Å; K296-V313 WeakPolarHBondContact CA-O 3.44Å; V297-V313 PolarHBondContact N-O 2.85Å; V297-V313 PolarHBondContact O-N 3.25Å; V313-L453 HydrophobicContact CG1-CD2 3.82Å
314	N	93.1	Very high	92.8	Very high	97 Å²	97	37.4 Å²	37.4	52%	0.519	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.5	177.1	-65.2	-38.3	0	0	0	111	H137	H137-N314 PolarHBondContact CE1-OD1 2.87Å; H137-N314 VanDerWaalsContact CE1-OD1 3.29Å; H137-N314 PolarHBondContact NE2-OD1 2.88Å
315	I	93.1	Very high	92.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	-176.3	-60.5	-54	0	0	0	108.8	G294 I295 V297 N321 I323 L453 T528 I530	G294-I315 WeakPolarHBondContact CA-O 3.35Å; I295-I315 HydrophobicContact CB-CB 4.26Å; I295-I315 PolarHBondContact N-O 2.91Å; I295-I315 WeakPolarHBondContact O-CB 3.07Å; I295-I315 PolarHBondContact O-N 2.99Å; V297-I315 HydrophobicContact CB-CG1 4.06Å; V297-I315 HydrophobicContact CG2-CD1 4.45Å; V297-I315 HydrophobicContact CG2-CG1 3.55Å; I315-N321 HydrophobicContact CD1-CB 4.05Å; I315-N321 HydrophobicContact CG2-CB 3.9Å; I315-N321 VanDerWaalsContact CG2-CG 3.45Å; I315-N321 WeakPolarHBondContact CG2-ND2 3.32Å; I315-I323 HydrophobicContact CD1-CD1 4.17Å; I315-L453 HydrophobicContact CD1-CD1 4.07Å; I315-T528 HydrophobicContact CG2-CG2 4.46Å; I315-T528 WeakPolarHBondContact CG2-OG1 3.37Å; I315-I530 HydrophobicContact CG2-CD1 3.83Å; I315-I530 HydrophobicContact CG2-CG1 3.69Å
316	Q	87.8	Confident	93	Very high	92 Å²	92	39.1 Å²	39.1	43%	0.43	20%	0.203	S	C	.	.			trans	-85.9	137.2	-171.2	-164.5	174.8	5.4	0	0	112.4	R319 N321 V455 T528	Q316-R319 HydrophobicContact CB-CB 4.06Å; Q316-R319 HydrophobicContact CB-CG 4Å; Q316-R319 HydrophobicContact CG-CB 4.42Å; Q316-R319 HydrophobicContact CG-CG 3.84Å; Q316-N321 PolarHBondContact N-OD1 2.91Å; Q316-N321 PolarHBondContact O-ND2 3.21Å; Q316-V455 HydrophobicContact CB-CG1 4.28Å; Q316-T528 PolarHBondContact O-OG1 2.78Å
317	P	88.8	Confident	93.1	Very high	41 Å²	41	39.1 Å²	39.1	27%	0.266	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	153.5	169	29.6	-35.1	0	0	0	111.7	L271 E293 R319	L271-P317 HydrophobicContact CD1-CB 3.82Å; E293-P317 VanDerWaalsContact O-CD 3.22Å; E293-P317 WeakPolarHBondContact O-CD 3.26Å; P317-R319 PolarHBondContact O-N 3.22Å
318	G	87.8	Confident	93.2	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.4	-180	0	0	0	0	0	113.5	H527	G318-H527 WeakPolarHBondContact CA-O 3.34Å; G318-H527 PolarHBondContact N-O 2.94Å
319	R	91.6	Very high	93.4	Very high	51 Å²	51	40.6 Å²	40.6	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157	-173.9	-66.7	-64.9	-171.3	138.9	11	110.3	Q316 P317 N321 V455 T456 Y529 E676 I677	Q316-R319 HydrophobicContact CB-CB 4.06Å; Q316-R319 HydrophobicContact CB-CG 4Å; Q316-R319 HydrophobicContact CG-CB 4.42Å; Q316-R319 HydrophobicContact CG-CG 3.84Å; P317-R319 PolarHBondContact O-N 3.22Å; R319-N321 PolarHBondContact O-ND2 2.67Å; R319-N321 VanDerWaalsContact O-ND2 3.13Å; R319-V455 HydrophobicContact CB-CG1 4.36Å; R319-T456 CarbonylContact C-O 3.6Å; R319-T456 VanDerWaalsContact CA-O 3.27Å; R319-T456 WeakPolarHBondContact CA-O 3.15Å; R319-T456 VanDerWaalsContact CB-O 3.3Å; R319-T456 WeakPolarHBondContact CB-O 3.49Å; R319-T456 WeakPolarHBondContact CD-O 3.33Å; R319-Y529 PolarHBondContact O-N 3.34Å; R319-E676 PolarHBondContact NH1-O 3.25Å; R319-I677 PolarHBondContact NH1-O 2.79Å; R319-I677 VanDerWaalsContact NH1-O 3.1Å; R319-I677 PolarHBondContact NH2-O 2.82Å; R319-I677 VanDerWaalsContact NH2-O 3.14Å
320	M	92.7	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.9	167.3	157.6	123.4	40.7	0	0	108.9	V455 T456 W458 Y529 N673	M320-V455 CarbonylContact O-C 3.57Å; M320-T456 WeakPolarHBondContact CB-OG1 3.35Å; M320-T456 VanDerWaalsContact CG-OG1 3.27Å; M320-T456 WeakPolarHBondContact CG-OG1 3.44Å; M320-T456 PolarHBondContact N-O 2.73Å; M320-T456 PolarHBondContact O-N 3.27Å; M320-T456 PolarHBondContact O-OG1 2.79Å; M320-W458 HydrophobicContact CB-CB 3.71Å; M320-W458 HydrophobicContact CB-CG 3.98Å; M320-W458 HydrophobicContact CE-CG 3.95Å; M320-Y529 CarbonylContact C-O 3.39Å; M320-Y529 WeakPolarHBondContact CA-O 3.14Å; M320-Y529 HydrophobicContact CB-CD1 4.32Å; M320-Y529 HydrophobicContact CE-CD1 3.79Å; M320-Y529 HydrophobicContact CE-CD2 4.31Å; M320-Y529 HydrophobicContact CE-CE1 3.79Å; M320-Y529 HydrophobicContact CE-CE2 4.31Å; M320-Y529 HydrophobicContact CE-CG 4.01Å; M320-Y529 HydrophobicContact CG-CD1 4.05Å; M320-Y529 HydrophobicContact SD-CD1 3.11Å; M320-Y529 WeakPolarHBondContact SD-CD1 3.46Å; M320-Y529 HydrophobicContact SD-CE1 3.13Å; M320-Y529 WeakPolarHBondContact SD-CE1 3.39Å; M320-Y529 HydrophobicContact SD-CG 3.9Å; M320-N673 VanDerWaalsContact CE-CA 3.48Å; M320-N673 WeakPolarHBondContact SD-CA 3.32Å; M320-N673 PolarHBondContact SD-N 2.88Å
321	N	94.9	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	107.6	-170.9	-55	-107.1	0	0	0	106.6	I315 Q316 R319 L453 S454 T528 Y529 I530 S531	I315-N321 HydrophobicContact CD1-CB 4.05Å; I315-N321 HydrophobicContact CG2-CB 3.9Å; I315-N321 VanDerWaalsContact CG2-CG 3.45Å; I315-N321 WeakPolarHBondContact CG2-ND2 3.32Å; Q316-N321 PolarHBondContact N-OD1 2.91Å; Q316-N321 PolarHBondContact O-ND2 3.21Å; R319-N321 PolarHBondContact O-ND2 2.67Å; R319-N321 VanDerWaalsContact O-ND2 3.13Å; N321-L453 HydrophobicContact CB-CD1 4.42Å; N321-S454 CarbonylContact C-O 3.52Å; N321-S454 WeakPolarHBondContact CA-O 3.19Å; N321-T528 PolarHBondContact ND2-OG1 2.84Å; N321-Y529 PolarHBondContact N-O 3.19Å; N321-Y529 PolarHBondContact ND2-O 2.85Å; N321-I530 WeakPolarHBondContact O-CA 3.47Å; N321-S531 PolarHBondContact O-N 3.03Å
322	E	95.5	Very high	94.1	Very high	19 Å²	19	36.2 Å²	36.2	9%	0.089	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.6	-179.7	176.3	-174.9	91.3	0	0	110.1	R264 N324 L453 S454 I533 N673	R264-E322 IonicContact CZ-OE2 2.8Å; R264-E322 IonicContact NH1-OE2 2.68Å; R264-E322 IonicContact NH2-OE2 3.54Å; R264-E322 PolarHBondContact NH2-OE2 2.67Å; E322-N324 VanDerWaalsContact CG-OD1 3.25Å; E322-N324 WeakPolarHBondContact CG-OD1 3.4Å; E322-N324 PolarHBondContact OE1-ND2 3.1Å; E322-N324 PolarHBondContact OE1-OD1 2.85Å; E322-L453 WeakPolarHBondContact O-CA 3.36Å; E322-S454 WeakPolarHBondContact CB-OG 3.41Å; E322-S454 PolarHBondContact N-O 3.16Å; E322-S454 PolarHBondContact O-N 3.04Å; E322-S454 PolarHBondContact O-OG 2.7Å; E322-I533 HydrophobicContact CG-CD1 4.1Å; E322-I533 HydrophobicContact CG-CG1 4.19Å; E322-N673 PolarHBondContact OE2-ND2 2.88Å; E322-N673 PolarHBondContact OE2-OD1 2.96Å
323	I	96.7	Very high	94.1	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106	-178.3	-46.3	170.2	0	0	0	108.3	V297 I299 I315 T451 K452 L453 I530 S531 L532 I533	V297-I323 HydrophobicContact CG1-CD1 4.13Å; I299-I323 HydrophobicContact CD1-CB 4.34Å; I299-I323 HydrophobicContact CD1-CD1 4.18Å; I299-I323 HydrophobicContact CD1-CG2 3.54Å; I315-I323 HydrophobicContact CD1-CD1 4.17Å; I323-T451 HydrophobicContact CG2-CG2 4.15Å; I323-K452 WeakPolarHBondContact CA-O 3.36Å; I323-L453 HydrophobicContact CG1-CD1 3.8Å; I323-I530 HydrophobicContact CD1-CG2 4.26Å; I323-S531 WeakPolarHBondContact CB-O 3.42Å; I323-S531 PolarHBondContact N-O 3.2Å; I323-L532 HydrophobicContact CB-CD1 4.17Å; I323-L532 HydrophobicContact CG2-CD1 4.27Å; I323-L532 CarbonylContact O-C 3.57Å; I323-L532 WeakPolarHBondContact O-CA 3.24Å; I323-I533 PolarHBondContact O-N 2.99Å
324	N	96.3	Very high	94.2	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.7	-177.7	-64.8	-23.7	0	0	0	108.5	E322 K452 I533 Q535	E322-N324 VanDerWaalsContact CG-OD1 3.25Å; E322-N324 WeakPolarHBondContact CG-OD1 3.4Å; E322-N324 PolarHBondContact OE1-ND2 3.1Å; E322-N324 PolarHBondContact OE1-OD1 2.85Å; N324-K452 HydrophobicContact CB-CB 4.46Å; N324-K452 PolarHBondContact N-O 3.02Å; N324-K452 PolarHBondContact O-N 2.9Å; N324-I533 WeakPolarHBondContact OD1-CD1 3.07Å; N324-I533 WeakPolarHBondContact OD1-CG1 3.24Å; N324-Q535 VanDerWaalsContact C-NE2 3.3Å; N324-Q535 HydrophobicContact CB-CG 3.86Å; N324-Q535 PolarHBondContact O-NE2 3.14Å
325	Y	96	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.8	-175.1	81.1	-100	0	0	0	112.9	F129 P130 Y449 L532 I533 R534 Q535	F129-Y325 HydrophobicContact CD2-CE1 4.28Å; F129-Y325 WeakPolarHBondContact CD2-OH 3.41Å; F129-Y325 AromaticContact CE2-CE1 3.81Å; F129-Y325 HydrophobicContact CE2-CE1 3.81Å; F129-Y325 HydrophobicContact CZ-CE1 4.4Å; P130-Y325 VanDerWaalsContact CD-CZ 3.44Å; P130-Y325 WeakPolarHBondContact CD-OH 3.2Å; P130-Y325 HydrophobicContact CG-CD1 4.25Å; P130-Y325 HydrophobicContact CG-CE1 3.84Å; P130-Y325 HydrophobicContact CG-CE2 4.24Å; Y325-Y449 AromaticContact CD2-CD1 3.68Å; Y325-Y449 HydrophobicContact CD2-CD1 3.68Å; Y325-Y449 HydrophobicContact CD2-CE1 4.47Å; Y325-Y449 HydrophobicContact CD2-CG 4.44Å; Y325-Y449 AromaticContact CE2-CD1 3.92Å; Y325-Y449 HydrophobicContact CE2-CD1 3.92Å; Y325-Y449 HydrophobicContact CE2-CE1 4.26Å; Y325-L532 HydrophobicContact CD1-CD1 3.56Å; Y325-L532 HydrophobicContact CD1-CG 3.96Å; Y325-L532 HydrophobicContact CE1-CD1 4.23Å; Y325-L532 HydrophobicContact CE1-CG 4.13Å; Y325-L532 HydrophobicContact CG-CD1 4.47Å; Y325-I533 VanDerWaalsContact CD1-C 3.42Å; Y325-I533 WeakPolarHBondContact CD1-O 3.31Å; Y325-I533 PolarHBondContact N-O 3Å; Y325-R534 HydrophobicContact CE1-CB 3.99Å; Y325-R534 VanDerWaalsContact CE1-N 3.32Å; Y325-R534 HydrophobicContact CE2-CB 4.25Å; Y325-R534 HydrophobicContact CE2-CG 4.25Å; Y325-Q535 VanDerWaalsContact C-NE2 3.31Å; Y325-Q535 WeakPolarHBondContact O-CB 3.42Å; Y325-Q535 WeakPolarHBondContact O-CG 3.35Å; Y325-Q535 PolarHBondContact O-N 2.95Å
326	E	95.3	Very high	94	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.28	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.9	171.6	-178	172.1	-163.1	0	0	108	L328 Y449 D450 I540	E326-L328 HydrophobicContact CG-CD1 4.42Å; E326-L328 WeakPolarHBondContact O-CD1 3.35Å; E326-Y449 VanDerWaalsContact O-CA 3.31Å; E326-Y449 WeakPolarHBondContact O-CA 3.26Å; E326-D450 PolarHBondContact N-O 2.86Å; E326-D450 PolarHBondContact O-N 3.1Å; E326-I540 WeakPolarHBondContact OE1-CD1 3.48Å
327	T	96.5	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.3	-177.6	-56.3	0	0	0	0	111.7	S127 Y447 Y449 T539 I540	S127-T327 WeakPolarHBondContact OG-CG2 3.46Å; S127-T327 PolarHBondContact OG-OG1 3.44Å; T327-Y447 HydrophobicContact CG2-CD1 3.69Å; T327-Y447 HydrophobicContact CG2-CE1 4.21Å; T327-Y449 HydrophobicContact CG2-CD1 4.24Å; T327-Y449 HydrophobicContact CG2-CE1 3.88Å; T327-T539 HydrophobicContact CG2-CG2 4.25Å; T327-I540 PolarHBondContact O-N 2.92Å
328	L	96.8	Very high	94.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.7	175.2	-69.4	84.9	0	0	0	110.9	E326 Y447 T448 D450 I540 K542	E326-L328 HydrophobicContact CG-CD1 4.42Å; E326-L328 WeakPolarHBondContact O-CD1 3.35Å; L328-Y447 CarbonylContact O-C 3.53Å; L328-Y447 WeakPolarHBondContact O-CA 3.37Å; L328-T448 PolarHBondContact N-O 3.33Å; L328-T448 PolarHBondContact O-N 3.47Å; L328-D450 HydrophobicContact CD1-CB 3.66Å; L328-D450 WeakPolarHBondContact CD2-OD2 3.43Å; L328-I540 CarbonylContact C-O 3.6Å; L328-I540 WeakPolarHBondContact CA-O 3.07Å; L328-I540 HydrophobicContact CG-CB 4.32Å; L328-K542 HydrophobicContact CD2-CD 4.07Å
329	F	97.1	Very high	94.3	Very high	41 Å²	41	42.7 Å²	42.7	18%	0.18	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115	172.2	-178.6	-118.6	0	0	0	110.7	K331 Y447 T539 I540 M541 K542	F329-K331 HydrophobicContact CD1-CB 4.45Å; F329-K331 HydrophobicContact CE1-CB 3.97Å; F329-K331 HydrophobicContact CE1-CD 4.42Å; F329-K331 HydrophobicContact CE1-CG 4.47Å; F329-Y447 HydrophobicContact CB-CD1 4Å; F329-Y447 HydrophobicContact CB-CE1 3.76Å; F329-Y447 AromaticContact CD2-CD1 3.91Å; F329-Y447 HydrophobicContact CD2-CD1 3.91Å; F329-Y447 HydrophobicContact CD2-CD2 4.07Å; F329-Y447 AromaticContact CD2-CE1 3.62Å; F329-Y447 HydrophobicContact CD2-CE1 3.62Å; F329-Y447 AromaticContact CD2-CE2 3.77Å; F329-Y447 HydrophobicContact CD2-CE2 3.77Å; F329-Y447 HydrophobicContact CD2-CG 4.13Å; F329-Y447 AromaticContact CD2-CZ 3.53Å; F329-Y447 HydrophobicContact CE2-CD2 4.47Å; F329-Y447 HydrophobicContact CE2-CE2 4.01Å; F329-Y447 HydrophobicContact CG-CD1 4.41Å; F329-Y447 AromaticContact CG-CE1 3.98Å; F329-Y447 HydrophobicContact CG-CE1 3.98Å; F329-T539 HydrophobicContact CB-CG2 3.75Å; F329-I540 PolarHBondContact N-O 2.9Å; F329-M541 HydrophobicContact CD1-CE 3.87Å; F329-M541 HydrophobicContact CD1-CG 4.26Å; F329-M541 HydrophobicContact CE1-CE 4.18Å; F329-M541 WeakPolarHBondContact O-CA 3.47Å; F329-K542 PolarHBondContact O-N 3.26Å
330	W	96.8	Very high	94.5	Very high	55 Å²	55	40.6 Å²	40.6	21%	0.208	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.7	176.9	-63.1	83.2	0	0	0	110.1	W117 G445 Y446 T448 K542	W117-W330 HydrophobicContact CD2-CZ3 4.4Å; W117-W330 HydrophobicContact CE3-CE3 4.16Å; W117-W330 HydrophobicContact CE3-CZ3 4.38Å; W117-W330 AromaticContact CH2-CE3 3.67Å; W117-W330 HydrophobicContact CH2-CE3 3.67Å; W117-W330 HydrophobicContact CH2-CZ3 4.26Å; W117-W330 HydrophobicContact CZ2-CE3 4.16Å; W117-W330 HydrophobicContact CZ2-CZ3 4.33Å; W117-W330 AromaticContact CZ3-CE3 3.7Å; W117-W330 HydrophobicContact CZ3-CE3 3.7Å; W117-W330 HydrophobicContact CZ3-CZ3 4.32Å; W330-G445 WeakPolarHBondContact O-CA 3.36Å; W330-Y446 HydrophobicContact CB-CD1 4.28Å; W330-Y446 HydrophobicContact CB-CD2 4.04Å; W330-Y446 HydrophobicContact CB-CE1 3.85Å; W330-Y446 HydrophobicContact CB-CE2 3.56Å; W330-Y446 HydrophobicContact CB-CG 4.36Å; W330-Y446 VanDerWaalsContact CB-CZ 3.45Å; W330-Y446 AromaticContact CD1-CE2 3.53Å; W330-Y446 HydrophobicContact CD2-CE2 4.38Å; W330-Y446 HydrophobicContact CG-CD2 4.26Å; W330-Y446 AromaticContact CG-CE2 3.55Å; W330-Y446 HydrophobicContact CG-CE2 3.55Å; W330-Y446 AromaticContact CG-CZ 3.74Å; W330-Y446 PolarHBondContact N-O 2.87Å; W330-Y446 PolarHBondContact O-N 2.93Å; W330-Y446 VanDerWaalsContact O-N 3.09Å; W330-T448 PolarHBondContact NE1-OG1 2.88Å; W330-K542 HydrophobicContact CD2-CB 4.21Å; W330-K542 HydrophobicContact CD2-CD 4.18Å; W330-K542 HydrophobicContact CE3-CB 3.84Å; W330-K542 HydrophobicContact CE3-CD 4.01Å; W330-K542 HydrophobicContact CH2-CD 3.5Å; W330-K542 VanDerWaalsContact CH2-CD 3.5Å; W330-K542 HydrophobicContact CZ2-CD 3.64Å; W330-K542 HydrophobicContact CZ3-CB 4.18Å; W330-K542 HydrophobicContact CZ3-CD 3.68Å
331	K	96.5	Very high	94.4	Very high	87 Å²	87	41.3 Å²	41.3	38%	0.378	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	94.4	178.9	-175.5	-177.8	171.7	-163.9	0	109.9	F329 C444 K542 E543 E544	F329-K331 HydrophobicContact CD1-CB 4.45Å; F329-K331 HydrophobicContact CE1-CB 3.97Å; F329-K331 HydrophobicContact CE1-CD 4.42Å; F329-K331 HydrophobicContact CE1-CG 4.47Å; K331-C444 CarbonylContact C-O 3.49Å; K331-C444 WeakPolarHBondContact CA-O 3.3Å; K331-K542 PolarHBondContact N-O 3.01Å; K331-E543 HydrophobicContact CD-CG 4.11Å; K331-E543 WeakPolarHBondContact CE-OE1 3.46Å; K331-E543 HydrophobicContact CG-CG 4.49Å; K331-E543 IonicContact NZ-OE1 2.7Å; K331-E543 PolarHBondContact NZ-OE1 2.9Å; K331-E543 WeakPolarHBondContact O-CA 3.48Å; K331-E544 PolarHBondContact O-N 2.85Å
332	R	95.6	Very high	94.1	Very high	66 Å²	66	47 Å²	47	25%	0.249	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-72.2	154.9	174	-63.1	-172.9	68.6	160.2	0.3	111.8	W117 C444 E544	W117-R332 HydrophobicContact CH2-CG 3.66Å; W117-R332 HydrophobicContact CZ2-CG 4.26Å; R332-C444 PolarHBondContact N-O 2.84Å; R332-E544 VanDerWaalsContact CA-OE2 3.23Å; R332-E544 WeakPolarHBondContact CA-OE2 3.32Å; R332-E544 VanDerWaalsContact CB-OE2 3.3Å; R332-E544 WeakPolarHBondContact CB-OE2 3.12Å; R332-E544 IonicContact NE-OE2 3.55Å
333	L	94.8	Very high	93.4	Very high	59 Å²	59	52.3 Å²	52.3	31%	0.309	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-97.3	129.1	174.9	-175.6	63.3	0	0	0	109.9	T115 T335 E544 L546	T115-L333 HydrophobicContact CG2-CD2 4.3Å; L333-T335 HydrophobicContact CB-CG2 4.41Å; L333-T335 HydrophobicContact CD2-CG2 4Å; L333-T335 HydrophobicContact CG-CG2 3.97Å; L333-T335 PolarHBondContact O-N 3.43Å; L333-E544 HydrophobicContact CB-CB 4.2Å; L333-E544 HydrophobicContact CB-CG 4.02Å; L333-E544 PolarHBondContact N-OE2 3.08Å; L333-L546 HydrophobicContact CD2-CD2 3.9Å; L333-L546 HydrophobicContact CD2-CG 3.73Å
334	H	94.4	Very high	92.4	Very high	120 Å²	120	60.3 Å²	60.3	56%	0.556	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-70.6	116.5	170.4	-176.6	103.1	0	0	0	109.2	C340	H334-C340 PolarHBondContact N-SG 2.95Å; H334-C340 PolarHBondContact ND1-O 2.99Å
335	T	92.1	Very high	91.8	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.037	32%	0.321	C	S	.	.			trans	-128.4	159.3	176.6	66.1	0	0	0	0	111	T115 L333 V337 A338 P339 L546	T115-T335 HydrophobicContact CG2-CG2 4.1Å; L333-T335 HydrophobicContact CB-CG2 4.41Å; L333-T335 HydrophobicContact CD2-CG2 4Å; L333-T335 HydrophobicContact CG-CG2 3.97Å; L333-T335 PolarHBondContact O-N 3.43Å; T335-V337 PolarHBondContact O-N 3.27Å; T335-A338 PolarHBondContact N-O 3.48Å; T335-A338 CarbonylContact O-C 3.49Å; T335-A338 PolarHBondContact O-N 2.9Å; T335-A338 WeakPolarHBondContact OG1-CA 3.35Å; T335-A338 PolarHBondContact OG1-N 3.07Å; T335-A338 PolarHBondContact OG1-O 3.21Å; T335-A338 VanDerWaalsContact OG1-O 3.08Å; T335-P339 WeakPolarHBondContact O-CA 3.46Å; T335-L546 HydrophobicContact CG2-CD2 4.38Å
336	P	89.8	Confident	91.4	Very high	99 Å²	99	64.2 Å²	64.2	64%	0.643	34%	0.339	S	S	*	.	S	Bend	trans	-63.5	-26	176.5	-23.4	35.1	0	0	0	114.1	Y113	Y113-P336 HydrophobicContact CD2-CG 4.36Å; Y113-P336 HydrophobicContact CE1-CG 4.32Å; Y113-P336 HydrophobicContact CE2-CG 4.02Å
337	V	88.7	Confident	91.2	Very high	105 Å²	105	61.5 Å²	61.5	64%	0.636	33%	0.327	S	S	*	.	S	Bend	trans	-87.6	-38.6	-179.5	-176.6	0	0	0	0	111.2	Y113 T335	Y113-V337 HydrophobicContact CD2-CG2 4.08Å; T335-V337 PolarHBondContact O-N 3.27Å
338	A	90.4	Very high	90.9	Very high	35 Å²	35	62.4 Å²	62.4	29%	0.289	33%	0.331	S	S	.	.	S	Bend	trans	-127.8	85.9	176.8	0	0	0	0	0	109.7	T335	T335-A338 PolarHBondContact N-O 3.48Å; T335-A338 CarbonylContact O-C 3.49Å; T335-A338 PolarHBondContact O-N 2.9Å; T335-A338 WeakPolarHBondContact OG1-CA 3.35Å; T335-A338 PolarHBondContact OG1-N 3.07Å; T335-A338 PolarHBondContact OG1-O 3.21Å; T335-A338 VanDerWaalsContact OG1-O 3.08Å
339	P	93	Very high	90.6	Very high	50 Å²	50	62.4 Å²	62.4	33%	0.325	33%	0.331	S	S	.	.			trans	-70.1	149.5	176.6	28.3	-34.6	0	0	0	111.2	T335 I441 P442	T335-P339 WeakPolarHBondContact O-CA 3.46Å; P339-I441 HydrophobicContact CB-CG2 4.4Å; P339-P442 WeakPolarHBondContact O-CD 3.29Å; P339-P442 WeakPolarHBondContact O-CG 3.43Å
340	C	94.2	Very high	90.2	Very high	6 Å²	6	62 Å²	62	4%	0.041	33%	0.33	C	S	.	.			trans	-135	157.5	167.2	67.5	0	0	0	0	109.9	H334 P442 C444	H334-C340 PolarHBondContact N-SG 2.95Å; H334-C340 PolarHBondContact ND1-O 2.99Å; C340-P442 CarbonylContact C-O 3.49Å; C340-P442 VanDerWaalsContact CA-O 3.22Å; C340-P442 WeakPolarHBondContact CA-O 3.29Å; C340-P442 HydrophobicContact CB-CG 4.25Å; C340-P442 WeakPolarHBondContact CB-O 3.44Å; C340-C444 HydrophobicContact CB-CB 3.95Å; C340-C444 WeakPolarHBondContact CB-SG 3.23Å; C340-C444 PolarHBondContact O-SG 3.18Å; C340-C444 VanDerWaalsContact SG-CA 3.54Å; C340-C444 WeakPolarHBondContact SG-CB 3.45Å; C340-C444 CovalentContact SG-SG 2.04Å; C340-C444 PolarHBondContact SG-SG 3.22Å
341	T	92.3	Very high	89.7	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.098	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-120.1	154.2	178.3	-175.4	0	0	0	0	112.1	E343 I345 I441 P442 R443 C444	T341-E343 WeakPolarHBondContact OG1-CB 3.28Å; T341-E343 VanDerWaalsContact OG1-CG 3.3Å; T341-E343 WeakPolarHBondContact OG1-CG 3.41Å; T341-E343 PolarHBondContact OG1-N 3.48Å; T341-E343 PolarHBondContact OG1-OE2 3.2Å; T341-I345 HydrophobicContact CG2-CD1 4.38Å; T341-I441 HydrophobicContact CG2-CB 4.44Å; T341-I441 HydrophobicContact CG2-CG2 4.21Å; T341-P442 PolarHBondContact N-O 3.05Å; T341-R443 CarbonylContact O-C 3.18Å; T341-R443 VanDerWaalsContact O-CA 3.24Å; T341-R443 WeakPolarHBondContact O-CA 3.25Å; T341-C444 PolarHBondContact O-N 3.29Å
342	N	87.3	Confident	89.4	Confident	119 Å²	119	59.4 Å²	59.4	64%	0.636	34%	0.335	S	S	*	.			trans	-116.6	14	168.1	-75.9	-30.4	0	0	0	111.6	C444 G445	N342-C444 VanDerWaalsContact OD1-CB 3.29Å; N342-C444 WeakPolarHBondContact OD1-CB 3.32Å; N342-G445 PolarHBondContact OD1-N 2.85Å
343	E	82.2	Confident	89.2	Confident	131 Å²	131	61.6 Å²	61.6	61%	0.612	35%	0.348	S	S	*	.			trans	-68.3	138.8	176.5	-67.4	162.7	142.4	0	0	110.8	T341 I345	T341-E343 WeakPolarHBondContact OG1-CB 3.28Å; T341-E343 VanDerWaalsContact OG1-CG 3.3Å; T341-E343 WeakPolarHBondContact OG1-CG 3.41Å; T341-E343 PolarHBondContact OG1-N 3.48Å; T341-E343 PolarHBondContact OG1-OE2 3.2Å; E343-I345 HydrophobicContact CB-CD1 4.48Å; E343-I345 HydrophobicContact CB-CG1 4.03Å; E343-I345 PolarHBondContact O-N 3.14Å
344	N	74.8	Confident	89.1	Confident	174 Å²	174	59 Å²	59	93%	0.93	34%	0.335	S	S	*	.			trans	-76.2	59.9	177.4	-72.7	-17.4	0	0	0	111.6
345	I	82.6	Confident	89	Confident	60 Å²	60	56 Å²	56	31%	0.308	33%	0.325	S	S	.	.			trans	-67.6	139.5	169.9	-51.6	175.9	0	0	0	108	T341 E343 Y356	T341-I345 HydrophobicContact CG2-CD1 4.38Å; E343-I345 HydrophobicContact CB-CD1 4.48Å; E343-I345 HydrophobicContact CB-CG1 4.03Å; E343-I345 PolarHBondContact O-N 3.14Å; I345-Y356 HydrophobicContact CB-CD2 3.88Å; I345-Y356 HydrophobicContact CB-CG 4.09Å; I345-Y356 HydrophobicContact CD1-CD2 4.49Å; I345-Y356 HydrophobicContact CD1-CE2 4.42Å; I345-Y356 HydrophobicContact CG2-CD2 3.57Å; I345-Y356 HydrophobicContact CG2-CE2 4.17Å; I345-Y356 HydrophobicContact CG2-CG 4.27Å; I345-Y356 WeakPolarHBondContact O-CB 3.32Å; I345-Y356 PolarHBondContact O-N 3.36Å
346	S	88.7	Confident	89	Confident	56 Å²	56	56 Å²	56	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	157.5	170.4	65.5	0	0	0	0	112.1	Y354 R364	S346-Y354 WeakPolarHBondContact CA-O 3.48Å; S346-R364 PolarHBondContact O-NH1 2.87Å
347	I	90.4	Very high	89.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	171.6	-60.1	176.9	0	0	0	107.3	H353 Y354 Y356 Q360 P382	I347-H353 WeakPolarHBondContact O-CA 3.21Å; I347-Y354 PolarHBondContact N-O 3.19Å; I347-Y354 PolarHBondContact O-N 2.76Å; I347-Y356 HydrophobicContact CD1-CD2 3.83Å; I347-Y356 HydrophobicContact CD1-CE2 4.48Å; I347-Y356 HydrophobicContact CD1-CG 4.3Å; I347-Y356 HydrophobicContact CG1-CD2 4Å; I347-Q360 HydrophobicContact CD1-CB 3.59Å; I347-Q360 HydrophobicContact CG2-CB 4.35Å; I347-P382 HydrophobicContact CG2-CB 4.18Å; I347-P382 HydrophobicContact CG2-CG 4.16Å
348	E	90.7	Very high	89.3	Confident	20 Å²	20	52.8 Å²	52.8	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.3	-172.6	-172.4	-166.3	112.3	0	0	109.6	V352 H353 S384 I385 K386	E348-V352 WeakPolarHBondContact CA-O 3.49Å; E348-H353 IonicContact OE2-CE1 3.65Å; E348-H353 PolarHBondContact OE2-CE1 2.82Å; E348-S384 VanDerWaalsContact CD-OG 3.26Å; E348-S384 VanDerWaalsContact OE1-CA 3.32Å; E348-S384 WeakPolarHBondContact OE1-CA 3.34Å; E348-S384 WeakPolarHBondContact OE1-CB 3.5Å; E348-S384 PolarHBondContact OE1-OG 2.87Å; E348-I385 PolarHBondContact OE1-N 2.79Å; E348-K386 IonicContact OE2-NZ 2.91Å; E348-K386 PolarHBondContact OE2-NZ 2.87Å
349	D	91.5	Very high	89.4	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.6	170.4	178.9	53.4	0	0	0	108.7	Y305 G351 V352 Y354 P382 R383	Y305-D349 HydrophobicContact CD2-CB 4.49Å; Y305-D349 HydrophobicContact CE2-CB 3.98Å; D349-G351 PolarHBondContact O-N 2.76Å; D349-V352 PolarHBondContact N-O 3.26Å; D349-V352 VanDerWaalsContact N-O 3.08Å; D349-V352 PolarHBondContact O-N 2.8Å; D349-Y354 HydrophobicContact CB-CE2 4.09Å; D349-P382 HydrophobicContact CB-CB 4.25Å; D349-R383 WeakPolarHBondContact OD1-CB 3.08Å; D349-R383 IonicContact OD1-CZ 3.13Å; D349-R383 PolarHBondContact OD1-N 2.83Å; D349-R383 IonicContact OD1-NE 2.68Å; D349-R383 PolarHBondContact OD1-NE 3.01Å; D349-R383 IonicContact OD1-NH2 2.66Å; D349-R383 PolarHBondContact OD1-NH2 3.03Å; D349-R383 IonicContact OD2-CZ 3.74Å; D349-R383 IonicContact OD2-NE 2.78Å; D349-R383 IonicContact OD2-NH2 2.8Å; D349-R383 PolarHBondContact OD2-NH2 2.93Å
350	L	87.8	Confident	89.5	Confident	33 Å²	33	50.3 Å²	50.3	17%	0.173	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	36	-179.3	-57.8	176.7	0	0	0	114.2	L197 T241 V352 R383	L197-L350 HydrophobicContact CD1-CD1 3.94Å; L197-L350 HydrophobicContact CD1-CD2 4.02Å; L197-L350 HydrophobicContact CD2-CD2 4.32Å; T241-L350 HydrophobicContact CG2-CD1 4.49Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 2.68Å; L350-R383 HydrophobicContact CD2-CB 3.88Å; L350-R383 HydrophobicContact CG-CB 4.3Å; L350-R383 PolarHBondContact N-O 2.81Å
351	G	86.3	Confident	89.4	Confident	38 Å²	38	50.3 Å²	50.3	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-6.7	179.2	0	0	0	0	0	115.1	D349 I385	D349-G351 PolarHBondContact O-N 2.76Å; G351-I385 VanDerWaalsContact CA-CD1 3.42Å
352	V	89.8	Confident	89.6	Confident	49 Å²	49	50.7 Å²	50.7	30%	0.297	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.4	174	-175.9	0	0	0	0	109.4	E348 D349 L350 Y354	E348-V352 WeakPolarHBondContact CA-O 3.49Å; D349-V352 PolarHBondContact N-O 3.26Å; D349-V352 VanDerWaalsContact N-O 3.08Å; D349-V352 PolarHBondContact O-N 2.8Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 2.68Å; V352-Y354 HydrophobicContact CB-CD2 4.42Å; V352-Y354 HydrophobicContact CB-CE2 3.65Å; V352-Y354 HydrophobicContact CG1-CD2 4.18Å; V352-Y354 HydrophobicContact CG1-CE1 4.08Å; V352-Y354 HydrophobicContact CG1-CE2 3.58Å; V352-Y354 WeakPolarHBondContact O-CD2 3.38Å
353	H	92.2	Very high	89.9	Confident	113 Å²	113	45.8 Å²	45.8	52%	0.523	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.3	173.1	-67.8	-48.3	0	0	0	110.9	I347 E348	I347-H353 WeakPolarHBondContact O-CA 3.21Å; E348-H353 IonicContact OE2-CE1 3.65Å; E348-H353 PolarHBondContact OE2-CE1 2.82Å
354	Y	93.1	Very high	90.4	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.3	178.3	-62.3	-89	0	0	0	111.2	G303 T304 Y305 S346 I347 D349 V352 Y356	G303-Y354 CarbonylContact O-C 3.05Å; G303-Y354 VanDerWaalsContact O-CA 3.26Å; G303-Y354 WeakPolarHBondContact O-CA 3.42Å; T304-Y354 WeakPolarHBondContact O-CD1 3.38Å; Y305-Y354 HydrophobicContact CD2-CD2 4.01Å; Y305-Y354 HydrophobicContact CD2-CE2 4.05Å; Y305-Y354 HydrophobicContact CD2-CG 4.29Å; S346-Y354 WeakPolarHBondContact CA-O 3.48Å; I347-Y354 PolarHBondContact N-O 3.19Å; I347-Y354 PolarHBondContact O-N 2.76Å; D349-Y354 HydrophobicContact CB-CE2 4.09Å; V352-Y354 HydrophobicContact CB-CD2 4.42Å; V352-Y354 HydrophobicContact CB-CE2 3.65Å; V352-Y354 HydrophobicContact CG1-CD2 4.18Å; V352-Y354 HydrophobicContact CG1-CE1 4.08Å; V352-Y354 HydrophobicContact CG1-CE2 3.58Å; V352-Y354 WeakPolarHBondContact O-CD2 3.38Å; Y354-Y356 PolarHBondContact O-N 3Å
355	T	91.9	Very high	91.3	Very high	56 Å²	56	36.1 Å²	36.1	34%	0.344	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.3	170.9	-47.1	0	0	0	0	109.8	G303 T304	G303-T355 PolarHBondContact O-N 2.94Å; G303-T355 PolarHBondContact O-OG1 3.44Å; T304-T355 HydrophobicContact CG2-CG2 4.41Å
356	Y	92.4	Very high	91.9	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	18%	0.18	C	C	.	.			trans	-60	138	-174.3	173.9	-82.6	0	0	0	113.7	I345 I347 Y354 C361 I441 R443	I345-Y356 HydrophobicContact CB-CD2 3.88Å; I345-Y356 HydrophobicContact CB-CG 4.09Å; I345-Y356 HydrophobicContact CD1-CD2 4.49Å; I345-Y356 HydrophobicContact CD1-CE2 4.42Å; I345-Y356 HydrophobicContact CG2-CD2 3.57Å; I345-Y356 HydrophobicContact CG2-CE2 4.17Å; I345-Y356 HydrophobicContact CG2-CG 4.27Å; I345-Y356 WeakPolarHBondContact O-CB 3.32Å; I345-Y356 PolarHBondContact O-N 3.36Å; I347-Y356 HydrophobicContact CD1-CD2 3.83Å; I347-Y356 HydrophobicContact CD1-CE2 4.48Å; I347-Y356 HydrophobicContact CD1-CG 4.3Å; I347-Y356 HydrophobicContact CG1-CD2 4Å; Y354-Y356 PolarHBondContact O-N 3Å; Y356-C361 HydrophobicContact CD2-CB 4.39Å; Y356-C361 HydrophobicContact CE2-CB 3.47Å; Y356-C361 VanDerWaalsContact CE2-CB 3.47Å; Y356-I441 WeakPolarHBondContact CE1-O 3.07Å; Y356-I441 VanDerWaalsContact CZ-O 3.28Å; Y356-I441 PolarHBondContact OH-N 2.64Å; Y356-I441 PolarHBondContact OH-O 3.07Å; Y356-R443 HydrophobicContact CD1-CG 4.14Å; Y356-R443 WeakPolarHBondContact O-CD 3.34Å; Y356-R443 PolarHBondContact O-NH1 2.8Å
357	K	92	Very high	92.1	Very high	81 Å²	81	30.6 Å²	30.6	35%	0.352	16%	0.162	S	C	.	.			trans	-136.1	138.7	169	-168.6	177	-175.7	-177.1	0	108.6	E307 S359 Q360 C361	E307-K357 WeakPolarHBondContact OE2-CD 3.43Å; E307-K357 VanDerWaalsContact OE2-CE 3.3Å; E307-K357 WeakPolarHBondContact OE2-CE 3.38Å; E307-K357 IonicContact OE2-NZ 3.84Å; E307-K357 PolarHBondContact OE2-NZ 2.8Å; K357-S359 VanDerWaalsContact C-N 3.29Å; K357-S359 PolarHBondContact O-N 2.77Å; K357-Q360 PolarHBondContact O-N 3.31Å; K357-Q360 VanDerWaalsContact O-N 3.11Å; K357-C361 PolarHBondContact O-N 2.88Å; K357-C361 VanDerWaalsContact O-N 3.09Å
358	Q	92.3	Very high	92.2	Very high	54 Å²	54	33.2 Å²	33.2	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-59.6	-37	-173.8	-162.7	-172.6	12	0	0	112.8	Q360 C361 L362 C440	Q358-Q360 VanDerWaalsContact C-N 3.32Å; Q358-Q360 PolarHBondContact O-N 3.5Å; Q358-C361 WeakPolarHBondContact O-CB 3.13Å; Q358-C361 PolarHBondContact O-N 3.02Å; Q358-L362 WeakPolarHBondContact O-CG 3.38Å; Q358-L362 PolarHBondContact O-N 3.1Å; Q358-C440 HydrophobicContact CG-CB 4.34Å; Q358-C440 WeakPolarHBondContact CG-O 2.98Å; Q358-C440 PolarHBondContact NE2-O 3.48Å
359	S	92.6	Very high	92.4	Very high	29 Å²	29	34.4 Å²	34.4	20%	0.203	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-43.2	176.4	56.9	0	0	0	0	112.3	E307 K357 L362 N363	E307-S359 WeakPolarHBondContact OE1-CB 3.49Å; E307-S359 PolarHBondContact OE1-OG 2.86Å; E307-S359 PolarHBondContact OE2-OG 3.19Å; K357-S359 VanDerWaalsContact C-N 3.29Å; K357-S359 PolarHBondContact O-N 2.77Å; S359-L362 PolarHBondContact O-N 3.35Å; S359-N363 PolarHBondContact O-N 2.83Å
360	Q	93.7	Very high	92.5	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-79.1	-24.1	-180	-61.9	-62.2	2.2	0	0	113	Y305 E307 I347 K357 Q358 N363 R364 P382	Y305-Q360 HydrophobicContact CD1-CG 4.27Å; Y305-Q360 VanDerWaalsContact CE1-NE2 3.3Å; Y305-Q360 HydrophobicContact CG-CG 4.17Å; E307-Q360 VanDerWaalsContact CG-NE2 3.34Å; I347-Q360 HydrophobicContact CD1-CB 3.59Å; I347-Q360 HydrophobicContact CG2-CB 4.35Å; K357-Q360 PolarHBondContact O-N 3.31Å; K357-Q360 VanDerWaalsContact O-N 3.11Å; Q358-Q360 VanDerWaalsContact C-N 3.32Å; Q358-Q360 PolarHBondContact O-N 3.5Å; Q360-N363 PolarHBondContact OE1-ND2 2.72Å; Q360-R364 VanDerWaalsContact O-CB 3.28Å; Q360-R364 WeakPolarHBondContact O-CB 3.43Å; Q360-R364 PolarHBondContact O-N 2.89Å; Q360-P382 HydrophobicContact CB-CG 4.43Å
361	C	94.1	Very high	92.7	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-46.1	166.3	-177.1	0	0	0	0	111.1	Y356 K357 Q358 R364 M365 C440	Y356-C361 HydrophobicContact CD2-CB 4.39Å; Y356-C361 HydrophobicContact CE2-CB 3.47Å; Y356-C361 VanDerWaalsContact CE2-CB 3.47Å; K357-C361 PolarHBondContact O-N 2.88Å; K357-C361 VanDerWaalsContact O-N 3.09Å; Q358-C361 WeakPolarHBondContact O-CB 3.13Å; Q358-C361 PolarHBondContact O-N 3.02Å; C361-R364 PolarHBondContact O-N 3.28Å; C361-M365 WeakPolarHBondContact O-CB 3.22Å; C361-M365 PolarHBondContact O-N 3.04Å; C361-C440 HydrophobicContact CB-CB 3.72Å; C361-C440 WeakPolarHBondContact CB-SG 3.04Å; C361-C440 PolarHBondContact O-SG 3.31Å; C361-C440 WeakPolarHBondContact SG-CA 3.22Å; C361-C440 WeakPolarHBondContact SG-CB 3.39Å; C361-C440 CovalentContact SG-SG 2.05Å; C361-C440 PolarHBondContact SG-SG 3.46Å
362	L	94.5	Very high	93	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-42.1	177.4	-67.1	169.6	0	0	0	111.5	Q358 S359 M365 L366 A434 V435 C440	Q358-L362 WeakPolarHBondContact O-CG 3.38Å; Q358-L362 PolarHBondContact O-N 3.1Å; S359-L362 PolarHBondContact O-N 3.35Å; L362-M365 WeakPolarHBondContact O-CB 3.44Å; L362-M365 PolarHBondContact O-N 3.48Å; L362-L366 WeakPolarHBondContact O-CG 3.45Å; L362-L366 PolarHBondContact O-N 3.37Å; L362-A434 HydrophobicContact CD2-CB 4.15Å; L362-V435 HydrophobicContact CD1-CG2 4.44Å; L362-V435 HydrophobicContact CD2-CG2 4.16Å; L362-C440 HydrophobicContact CD2-CB 3.88Å; L362-C440 HydrophobicContact CG-CB 4.11Å
363	N	94.4	Very high	93.2	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.08	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-42.5	173.8	-69.5	-9.8	0	0	0	112.2	S359 Q360 M365 L366 Q367 W381	S359-N363 PolarHBondContact O-N 2.83Å; Q360-N363 PolarHBondContact OE1-ND2 2.72Å; N363-M365 VanDerWaalsContact C-N 3.35Å; N363-M365 PolarHBondContact O-N 2.87Å; N363-L366 PolarHBondContact O-N 2.82Å; N363-Q367 PolarHBondContact O-N 2.98Å; N363-W381 HydrophobicContact CB-CB 4.19Å; N363-W381 HydrophobicContact CB-CG 4.11Å
364	R	93.3	Very high	93.2	Very high	71 Å²	71	37.9 Å²	37.9	27%	0.268	18%	0.177	S	C	.	.	H	α-helix	trans	-63.4	-38.1	175	-177.4	178.7	67.7	-173.7	-1.4	112.3	S346 Q360 C361 Q367 N368	S346-R364 PolarHBondContact O-NH1 2.87Å; Q360-R364 VanDerWaalsContact O-CB 3.28Å; Q360-R364 WeakPolarHBondContact O-CB 3.43Å; Q360-R364 PolarHBondContact O-N 2.89Å; C361-R364 PolarHBondContact O-N 3.28Å; R364-Q367 PolarHBondContact O-N 3.02Å; R364-N368 VanDerWaalsContact O-CG 3.29Å; R364-N368 PolarHBondContact O-N 3.42Å; R364-N368 PolarHBondContact O-ND2 3.04Å
365	M	93.5	Very high	93.1	Very high	31 Å²	31	39.2 Å²	39.2	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-44.9	174.1	-179.7	-75.1	-64	0	0	110.9	C361 L362 N363 N368 E369 L430 A434	C361-M365 WeakPolarHBondContact O-CB 3.22Å; C361-M365 PolarHBondContact O-N 3.04Å; L362-M365 WeakPolarHBondContact O-CB 3.44Å; L362-M365 PolarHBondContact O-N 3.48Å; N363-M365 VanDerWaalsContact C-N 3.35Å; N363-M365 PolarHBondContact O-N 2.87Å; M365-N368 WeakPolarHBondContact O-CB 3.11Å; M365-N368 PolarHBondContact O-N 3.31Å; M365-E369 PolarHBondContact O-N 3.08Å; M365-E369 HydrophobicContact SD-CG 4.34Å; M365-L430 HydrophobicContact CE-CB 4.34Å; M365-L430 WeakPolarHBondContact CE-O 2.96Å; M365-A434 HydrophobicContact CE-CB 3.76Å; M365-A434 HydrophobicContact CG-CB 4.38Å; M365-A434 HydrophobicContact SD-CB 4.45Å
366	L	94.7	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-39.1	177.1	-68.7	168.1	0	0	0	113	L362 N363 N368 E369 L370 W381 L427 L430 K431	L362-L366 WeakPolarHBondContact O-CG 3.45Å; L362-L366 PolarHBondContact O-N 3.37Å; N363-L366 PolarHBondContact O-N 2.82Å; L366-N368 VanDerWaalsContact C-N 3.28Å; L366-N368 PolarHBondContact O-N 3.08Å; L366-E369 PolarHBondContact O-N 3.25Å; L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 PolarHBondContact O-N 3.29Å; L366-W381 HydrophobicContact CB-CD2 4.32Å; L366-W381 HydrophobicContact CB-CE3 3.86Å; L366-W381 HydrophobicContact CB-CH2 3.93Å; L366-W381 HydrophobicContact CB-CZ2 4.36Å; L366-W381 HydrophobicContact CB-CZ3 3.65Å; L366-W381 HydrophobicContact CD1-CZ2 4.35Å; L366-L427 HydrophobicContact CD1-CD2 3.68Å; L366-L427 HydrophobicContact CD2-CD2 3.7Å; L366-L427 HydrophobicContact CG-CD2 4.23Å; L366-L430 HydrophobicContact CD2-CB 3.82Å; L366-L430 HydrophobicContact CD2-CD1 3.92Å; L366-K431 HydrophobicContact CD1-CD 4.41Å; L366-K431 HydrophobicContact CD1-CG 4.14Å
367	Q	94.1	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-39.2	172.8	-167.7	81.2	-57.7	0	0	111.3	N363 R364 L370 Y371 L377 N378 W381 L387	N363-Q367 PolarHBondContact O-N 2.98Å; R364-Q367 PolarHBondContact O-N 3.02Å; Q367-L370 PolarHBondContact O-N 2.98Å; Q367-Y371 WeakPolarHBondContact O-CB 3.27Å; Q367-Y371 PolarHBondContact O-N 3.13Å; Q367-L377 HydrophobicContact CG-CD2 3.91Å; Q367-N378 PolarHBondContact NE2-O 3.06Å; Q367-W381 HydrophobicContact CB-CB 4.24Å; Q367-W381 HydrophobicContact CB-CE3 4.17Å; Q367-W381 PolarHBondContact NE2-O 3.31Å; Q367-L387 HydrophobicContact CG-CD1 4.32Å
368	N	92.4	Very high	93.3	Very high	57 Å²	57	33.6 Å²	33.6	31%	0.305	16%	0.164	S	C	.	.	H	α-helix	trans	-69	-34.7	175.8	-72	-19.4	0	0	0	113.1	R364 M365 L366 K372	R364-N368 VanDerWaalsContact O-CG 3.29Å; R364-N368 PolarHBondContact O-N 3.42Å; R364-N368 PolarHBondContact O-ND2 3.04Å; M365-N368 WeakPolarHBondContact O-CB 3.11Å; M365-N368 PolarHBondContact O-N 3.31Å; L366-N368 VanDerWaalsContact C-N 3.28Å; L366-N368 PolarHBondContact O-N 3.08Å; N368-K372 WeakPolarHBondContact O-CD 3.4Å; N368-K372 WeakPolarHBondContact O-CG 3.36Å; N368-K372 PolarHBondContact O-N 3.2Å
369	E	93.6	Very high	93.3	Very high	45 Å²	45	31.5 Å²	31.5	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-69.6	-43.2	171.3	-84.5	-67.1	112.9	0	0	111.7	M365 L366 Y371 K372 R373 L423	M365-E369 PolarHBondContact O-N 3.08Å; M365-E369 HydrophobicContact SD-CG 4.34Å; L366-E369 PolarHBondContact O-N 3.25Å; E369-Y371 PolarHBondContact O-N 3.2Å; E369-K372 PolarHBondContact O-N 2.78Å; E369-K372 IonicContact OE1-NZ 3.58Å; E369-R373 WeakPolarHBondContact O-CB 3.26Å; E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 2.84Å; E369-R373 IonicContact OE2-CZ 2.8Å; E369-R373 IonicContact OE2-NE 2.77Å; E369-R373 PolarHBondContact OE2-NE 3.36Å; E369-R373 IonicContact OE2-NH2 3.31Å; E369-R373 PolarHBondContact OE2-NH2 3.07Å; E369-L423 HydrophobicContact CB-CD1 4.08Å
370	L	94.2	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-42.8	178.9	-179.3	58.5	0	0	0	112.2	L366 Q367 C374 N378 W381 F420 L423	L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 PolarHBondContact O-N 3.29Å; Q367-L370 PolarHBondContact O-N 2.98Å; L370-C374 HydrophobicContact CD1-CB 3.9Å; L370-C374 WeakPolarHBondContact O-CB 3.43Å; L370-C374 PolarHBondContact O-N 2.84Å; L370-N378 HydrophobicContact CD2-CB 3.77Å; L370-W381 HydrophobicContact CB-CZ3 4.19Å; L370-W381 HydrophobicContact CD2-CE3 4.3Å; L370-W381 HydrophobicContact CD2-CZ3 3.73Å; L370-F420 HydrophobicContact CD1-CD2 3.77Å; L370-F420 HydrophobicContact CD2-CD2 3.87Å; L370-F420 HydrophobicContact CD2-CE2 3.91Å; L370-L423 HydrophobicContact CB-CD1 3.86Å; L370-L423 HydrophobicContact CB-CD2 4.4Å; L370-L423 HydrophobicContact CD1-CD1 4.18Å; L370-L423 HydrophobicContact CD1-CD2 4.46Å
371	Y	91.8	Very high	93.3	Very high	40 Å²	40	33.7 Å²	33.7	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-57	-51	170.7	167.9	-127.8	0	0	0	111.9	Q367 E369 R373 G375 L387 Q391 L394	Q367-Y371 WeakPolarHBondContact O-CB 3.27Å; Q367-Y371 PolarHBondContact O-N 3.13Å; E369-Y371 PolarHBondContact O-N 3.2Å; Y371-R373 PolarHBondContact O-N 3.36Å; Y371-G375 WeakPolarHBondContact O-CA 3.44Å; Y371-G375 PolarHBondContact O-N 3.39Å; Y371-L387 HydrophobicContact CD1-CD2 3.9Å; Y371-L387 HydrophobicContact CE1-CD2 4.1Å; Y371-Q391 PolarHBondContact OH-NE2 3.15Å; Y371-L394 HydrophobicContact CD2-CD1 3.84Å; Y371-L394 HydrophobicContact CD2-CD2 3.57Å; Y371-L394 HydrophobicContact CD2-CG 4.4Å; Y371-L394 HydrophobicContact CE2-CD1 3.9Å; Y371-L394 HydrophobicContact CE2-CD2 3.92Å; Y371-L394 HydrophobicContact CG-CD2 4.38Å
372	K	92.5	Very high	93.2	Very high	150 Å²	150	33.5 Å²	33.5	65%	0.652	16%	0.16	S	C	*	.	H	α-helix	trans	-64.6	-37.1	-178.4	-73.7	169.8	-171.3	174.1	0	114.1	N368 E369	N368-K372 WeakPolarHBondContact O-CD 3.4Å; N368-K372 WeakPolarHBondContact O-CG 3.36Å; N368-K372 PolarHBondContact O-N 3.2Å; E369-K372 PolarHBondContact O-N 2.78Å; E369-K372 IonicContact OE1-NZ 3.58Å
373	R	93.3	Very high	93	Very high	103 Å²	103	32.4 Å²	32.4	39%	0.389	15%	0.154	S	C	.	.	H	α-helix	trans	-85.1	-44.2	-176.6	-66.6	-173.5	-164.1	-166.4	4.5	112.6	E369 Y371 D426	E369-R373 WeakPolarHBondContact O-CB 3.26Å; E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 2.84Å; E369-R373 IonicContact OE2-CZ 2.8Å; E369-R373 IonicContact OE2-NE 2.77Å; E369-R373 PolarHBondContact OE2-NE 3.36Å; E369-R373 IonicContact OE2-NH2 3.31Å; E369-R373 PolarHBondContact OE2-NH2 3.07Å; Y371-R373 PolarHBondContact O-N 3.36Å; R373-D426 IonicContact CZ-OD2 3.82Å; R373-D426 IonicContact NH1-OD2 3.39Å; R373-D426 PolarHBondContact NH1-OD2 2.87Å; R373-D426 IonicContact NH2-OD2 2.97Å
374	C	93.3	Very high	92.5	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-118.4	-4.6	-164.2	-49.6	0	0	0	0	114.2	L370 C376 C419	L370-C374 HydrophobicContact CD1-CB 3.9Å; L370-C374 WeakPolarHBondContact O-CB 3.43Å; L370-C374 PolarHBondContact O-N 2.84Å; C374-C376 PolarHBondContact O-N 3.39Å; C374-C419 WeakPolarHBondContact CA-SG 3.03Å; C374-C419 HydrophobicContact CB-CB 3.74Å; C374-C419 WeakPolarHBondContact CB-SG 3.33Å; C374-C419 WeakPolarHBondContact SG-CB 3.15Å; C374-C419 PolarHBondContact SG-O 3.22Å; C374-C419 CovalentContact SG-SG 2.04Å; C374-C419 PolarHBondContact SG-SG 3.33Å
375	G	91	Very high	91.9	Very high	32 Å²	32	32 Å²	32	33%	0.33	16%	0.158	S	C	.	.	S	Bend	trans	61.9	29	178.7	0	0	0	0	0	114	Y371 L394	Y371-G375 WeakPolarHBondContact O-CA 3.44Å; Y371-G375 PolarHBondContact O-N 3.39Å; G375-L394 WeakPolarHBondContact O-CD1 3.42Å
376	C	92.8	Very high	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.			trans	-145.4	168.3	-178.4	68	0	0	0	0	112.4	C374 P395 C397	C374-C376 PolarHBondContact O-N 3.39Å; C376-P395 CarbonylContact C-O 3.54Å; C376-P395 WeakPolarHBondContact CA-O 3.42Å; C376-P395 WeakPolarHBondContact CB-O 3.31Å; C376-C397 HydrophobicContact CB-CB 3.89Å; C376-C397 WeakPolarHBondContact CB-SG 3.35Å; C376-C397 VanDerWaalsContact SG-CA 3.56Å; C376-C397 WeakPolarHBondContact SG-CB 3.43Å; C376-C397 CovalentContact SG-SG 2.04Å; C376-C397 PolarHBondContact SG-SG 3.2Å
377	L	93.1	Very high	90.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-111.6	144.7	179.3	-62.9	175.4	0	0	0	112.4	Q367 L387 L388 L394 P395 Y396 C397	Q367-L377 HydrophobicContact CG-CD2 3.91Å; L377-L387 HydrophobicContact CD2-CD1 4.47Å; L377-L388 HydrophobicContact CD1-CD2 3.73Å; L377-L388 HydrophobicContact CD1-CG 4.36Å; L377-L394 HydrophobicContact CD1-CD2 3.98Å; L377-L394 HydrophobicContact CD1-CG 4.42Å; L377-L394 HydrophobicContact CD2-CD2 3.66Å; L377-L394 HydrophobicContact CG-CD2 3.62Å; L377-L394 HydrophobicContact CG-CG 4.09Å; L377-P395 PolarHBondContact N-O 3.05Å; L377-Y396 HydrophobicContact CB-CD1 3.88Å; L377-Y396 HydrophobicContact CB-CE1 4.29Å; L377-Y396 CarbonylContact O-C 3.59Å; L377-Y396 VanDerWaalsContact O-CA 3.26Å; L377-Y396 WeakPolarHBondContact O-CA 3.16Å; L377-C397 PolarHBondContact O-N 3.37Å; L377-C397 PolarHBondContact O-SG 2.71Å; L377-C397 VanDerWaalsContact O-SG 3.4Å
378	N	94.1	Very high	89	Confident	23 Å²	23	39.6 Å²	39.6	12%	0.123	19%	0.193	C	C	.	.			trans	-81.7	140.4	159.4	-169.3	-20.5	0	0	0	109	Q367 L370 E380 W381 F420	Q367-N378 PolarHBondContact NE2-O 3.06Å; L370-N378 HydrophobicContact CD2-CB 3.77Å; N378-E380 PolarHBondContact OD1-N 3.02Å; N378-W381 HydrophobicContact CB-CD2 3.81Å; N378-W381 HydrophobicContact CB-CE3 3.63Å; N378-W381 HydrophobicContact CB-CG 4.23Å; N378-W381 HydrophobicContact CB-CZ3 4.05Å; N378-W381 VanDerWaalsContact ND2-CZ2 3.34Å; N378-W381 WeakPolarHBondContact ND2-CZ2 3.28Å; N378-F420 HydrophobicContact CB-CE2 4.44Å
379	S	92.7	Very high	87.8	Confident	10 Å²	10	42.7 Å²	42.7	7%	0.07	21%	0.21	C	C	.	.	S	Bend	trans	-75.3	-28.7	177.2	51.6	0	0	0	0	113.4	P243	P243-S379 WeakPolarHBondContact CG-O 3.48Å
380	E	91.8	Very high	86.3	Confident	58 Å²	58	47.1 Å²	47.1	27%	0.271	23%	0.23	S	C	.	.	S	Bend	trans	-85.3	-1.9	-175.2	-68.6	-61.5	125.3	0	0	114.4	H242 P243 N378	H242-E380 IonicContact CE1-OE1 2.74Å; H242-E380 IonicContact CE1-OE2 3.1Å; H242-E380 IonicContact NE2-OE2 2.7Å; P243-E380 WeakPolarHBondContact CB-OE1 3.17Å; P243-E380 VanDerWaalsContact CD-OE1 3.32Å; P243-E380 WeakPolarHBondContact CD-OE1 3.44Å; P243-E380 WeakPolarHBondContact CG-OE1 3.33Å; N378-E380 PolarHBondContact OD1-N 3.02Å
381	W	93.4	Very high	84.4	Confident	22 Å²	22	51.5 Å²	51.5	8%	0.083	25%	0.251	C	S	.	.	S	Bend	trans	-115	151.1	179.1	-58.6	-17.5	0	0	0	110.8	N363 L366 Q367 L370 N378 R383 L423 L427	N363-W381 HydrophobicContact CB-CB 4.19Å; N363-W381 HydrophobicContact CB-CG 4.11Å; L366-W381 HydrophobicContact CB-CD2 4.32Å; L366-W381 HydrophobicContact CB-CE3 3.86Å; L366-W381 HydrophobicContact CB-CH2 3.93Å; L366-W381 HydrophobicContact CB-CZ2 4.36Å; L366-W381 HydrophobicContact CB-CZ3 3.65Å; L366-W381 HydrophobicContact CD1-CZ2 4.35Å; Q367-W381 HydrophobicContact CB-CB 4.24Å; Q367-W381 HydrophobicContact CB-CE3 4.17Å; Q367-W381 PolarHBondContact NE2-O 3.31Å; L370-W381 HydrophobicContact CB-CZ3 4.19Å; L370-W381 HydrophobicContact CD2-CE3 4.3Å; L370-W381 HydrophobicContact CD2-CZ3 3.73Å; N378-W381 HydrophobicContact CB-CD2 3.81Å; N378-W381 HydrophobicContact CB-CE3 3.63Å; N378-W381 HydrophobicContact CB-CG 4.23Å; N378-W381 HydrophobicContact CB-CZ3 4.05Å; N378-W381 VanDerWaalsContact ND2-CZ2 3.34Å; N378-W381 WeakPolarHBondContact ND2-CZ2 3.28Å; W381-R383 WeakPolarHBondContact O-CG 2.98Å; W381-R383 PolarHBondContact O-N 3.22Å; W381-L423 HydrophobicContact CH2-CD2 3.69Å; W381-L423 HydrophobicContact CZ3-CD2 4.05Å; W381-L427 HydrophobicContact CH2-CD2 3.95Å; W381-L427 HydrophobicContact CZ2-CD2 4.03Å
382	P	92.8	Very high	82.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.013	29%	0.285	C	S	.	.			trans	-52.4	125.7	-175.5	-29.8	36.6	0	0	0	114.4	I347 D349 Q360	I347-P382 HydrophobicContact CG2-CB 4.18Å; I347-P382 HydrophobicContact CG2-CG 4.16Å; D349-P382 HydrophobicContact CB-CB 4.25Å; Q360-P382 HydrophobicContact CB-CG 4.43Å
383	R	90.6	Very high	81.6	Confident	1 Å²	1	60 Å²	60	0%	0.004	29%	0.289	C	S	.	.			trans	-101.7	80.3	-175	-59.2	147.5	-64.8	-165.3	-0.5	109.7	Y192 T241 D349 L350 W381 Y396	Y192-R383 PolarHBondContact OH-NH1 2.83Å; Y192-R383 VanDerWaalsContact OH-NH1 3.08Å; T241-R383 PolarHBondContact O-NH1 3.42Å; T241-R383 PolarHBondContact O-NH2 2.88Å; D349-R383 WeakPolarHBondContact OD1-CB 3.08Å; D349-R383 IonicContact OD1-CZ 3.13Å; D349-R383 PolarHBondContact OD1-N 2.83Å; D349-R383 IonicContact OD1-NE 2.68Å; D349-R383 PolarHBondContact OD1-NE 3.01Å; D349-R383 IonicContact OD1-NH2 2.66Å; D349-R383 PolarHBondContact OD1-NH2 3.03Å; D349-R383 IonicContact OD2-CZ 3.74Å; D349-R383 IonicContact OD2-NE 2.78Å; D349-R383 IonicContact OD2-NH2 2.8Å; D349-R383 PolarHBondContact OD2-NH2 2.93Å; L350-R383 HydrophobicContact CD2-CB 3.88Å; L350-R383 HydrophobicContact CG-CB 4.3Å; L350-R383 PolarHBondContact N-O 2.81Å; W381-R383 WeakPolarHBondContact O-CG 2.98Å; W381-R383 PolarHBondContact O-N 3.22Å; R383-Y396 VanDerWaalsContact CD-OH 3.32Å; R383-Y396 WeakPolarHBondContact CD-OH 3.36Å; R383-Y396 HydrophobicContact CG-CE1 4.37Å
384	S	84.5	Confident	81.1	Confident	18 Å²	18	55.7 Å²	55.7	13%	0.126	27%	0.274	C	S	.	.			trans	-63.7	135.5	176.1	172.4	0	0	0	0	111.2	E348 K386 L387	E348-S384 VanDerWaalsContact CD-OG 3.26Å; E348-S384 VanDerWaalsContact OE1-CA 3.32Å; E348-S384 WeakPolarHBondContact OE1-CA 3.34Å; E348-S384 WeakPolarHBondContact OE1-CB 3.5Å; E348-S384 PolarHBondContact OE1-OG 2.87Å; S384-K386 PolarHBondContact O-N 3.38Å; S384-K386 PolarHBondContact OG-N 2.96Å; S384-L387 PolarHBondContact O-N 3.18Å; S384-L387 VanDerWaalsContact O-N 3.12Å
385	I	78.7	Confident	81	Confident	59 Å²	59	56.5 Å²	56.5	30%	0.303	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-31.1	177.1	-69.3	-179.2	0	0	0	110.6	E348 G351 L387 L388 D389	E348-I385 PolarHBondContact OE1-N 2.79Å; G351-I385 VanDerWaalsContact CA-CD1 3.42Å; I385-L387 PolarHBondContact O-N 3.28Å; I385-L387 VanDerWaalsContact O-N 3.12Å; I385-L388 CarbonylContact O-C 3.5Å; I385-L388 WeakPolarHBondContact O-CA 3.3Å; I385-L388 WeakPolarHBondContact O-CB 3.37Å; I385-L388 PolarHBondContact O-N 3.28Å; I385-D389 WeakPolarHBondContact CG2-OD2 3.24Å; I385-D389 PolarHBondContact O-N 3.05Å
386	K	77.1	Confident	81.1	Confident	123 Å²	123	56.6 Å²	56.6	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-24.2	177.5	-65.7	162.7	-177.5	138.9	0	113.7	E348 S384 Q390	E348-K386 IonicContact OE2-NZ 2.91Å; E348-K386 PolarHBondContact OE2-NZ 2.87Å; S384-K386 PolarHBondContact O-N 3.38Å; S384-K386 PolarHBondContact OG-N 2.96Å; K386-Q390 VanDerWaalsContact O-CD 3.29Å; K386-Q390 WeakPolarHBondContact O-CG 3.36Å
387	L	74.2	Confident	81.1	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-81.9	-32.1	172.4	-60	175.7	0	0	0	112	Q367 Y371 L377 S384 I385	Q367-L387 HydrophobicContact CG-CD1 4.32Å; Y371-L387 HydrophobicContact CD1-CD2 3.9Å; Y371-L387 HydrophobicContact CE1-CD2 4.1Å; L377-L387 HydrophobicContact CD2-CD1 4.47Å; S384-L387 PolarHBondContact O-N 3.18Å; S384-L387 VanDerWaalsContact O-N 3.12Å; I385-L387 PolarHBondContact O-N 3.28Å; I385-L387 VanDerWaalsContact O-N 3.12Å
388	L	71.2	Confident	81.1	Confident	49 Å²	49	59.8 Å²	59.8	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-79.4	-30.4	-179.9	-67.9	161.7	0	0	0	112.7	L377 I385 Q391	L377-L388 HydrophobicContact CD1-CD2 3.73Å; L377-L388 HydrophobicContact CD1-CG 4.36Å; I385-L388 CarbonylContact O-C 3.5Å; I385-L388 WeakPolarHBondContact O-CA 3.3Å; I385-L388 WeakPolarHBondContact O-CB 3.37Å; I385-L388 PolarHBondContact O-N 3.28Å; L388-Q391 CarbonylContact O-C 3.01Å
389	D	67.1	Low	81.1	Confident	123 Å²	123	61 Å²	61	66%	0.658	29%	0.289	S	S	*	.	H	α-helix	trans	-79.3	-33.5	176.4	-77.3	-15.1	0	0	0	112.6	I385 Q391	I385-D389 WeakPolarHBondContact CG2-OD2 3.24Å; I385-D389 PolarHBondContact O-N 3.05Å; D389-Q391 PolarHBondContact O-N 2.85Å
390	Q	61.2	Low	81.2	Confident	137 Å²	137	60.9 Å²	60.9	64%	0.64	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.3	-179.6	-82	176.9	6.3	0	0	113.1	K386	K386-Q390 VanDerWaalsContact O-CD 3.29Å; K386-Q390 WeakPolarHBondContact O-CG 3.36Å
391	Q	56	Low	81.3	Confident	93 Å²	93	58.2 Å²	58.2	44%	0.435	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	110.8	172.9	-65.8	-174.4	-6.1	0	0	109.5	Y371 L388 D389 F393 L394	Y371-Q391 PolarHBondContact OH-NE2 3.15Å; L388-Q391 CarbonylContact O-C 3.01Å; D389-Q391 PolarHBondContact O-N 2.85Å; Q391-F393 PolarHBondContact O-N 3.32Å; Q391-L394 PolarHBondContact O-N 3.46Å
392	K	57.6	Low	81.1	Confident	199 Å²	199	64.3 Å²	64.3	87%	0.865	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	110.4	178.5	-77.3	-171.2	172.6	-177.3	0	110.7
393	F	66.9	Low	81.1	Confident	168 Å²	168	68.9 Å²	68.9	74%	0.737	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	57.9	-177.9	-67.2	-85.4	0	0	0	115.7	Q391 P395	Q391-F393 PolarHBondContact O-N 3.32Å; F393-P395 WeakPolarHBondContact O-CD 3.19Å
394	L	83.6	Confident	81.3	Confident	13 Å²	13	69.2 Å²	69.2	7%	0.068	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-56.3	121.4	158.2	-171.5	68.7	0	0	0	110.4	Y371 G375 L377 Q391	Y371-L394 HydrophobicContact CD2-CD1 3.84Å; Y371-L394 HydrophobicContact CD2-CD2 3.57Å; Y371-L394 HydrophobicContact CD2-CG 4.4Å; Y371-L394 HydrophobicContact CE2-CD1 3.9Å; Y371-L394 HydrophobicContact CE2-CD2 3.92Å; Y371-L394 HydrophobicContact CG-CD2 4.38Å; G375-L394 WeakPolarHBondContact O-CD1 3.42Å; L377-L394 HydrophobicContact CD1-CD2 3.98Å; L377-L394 HydrophobicContact CD1-CG 4.42Å; L377-L394 HydrophobicContact CD2-CD2 3.66Å; L377-L394 HydrophobicContact CG-CD2 3.62Å; L377-L394 HydrophobicContact CG-CG 4.09Å; Q391-L394 PolarHBondContact O-N 3.46Å
395	P	90.5	Very high	81.7	Confident	35 Å²	35	73.7 Å²	73.7	23%	0.227	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-82	155.2	-175.8	32.4	-35	0	0	0	112.7	C376 L377 F393 K399	C376-P395 CarbonylContact C-O 3.54Å; C376-P395 WeakPolarHBondContact CA-O 3.42Å; C376-P395 WeakPolarHBondContact CB-O 3.31Å; L377-P395 PolarHBondContact N-O 3.05Å; F393-P395 WeakPolarHBondContact O-CD 3.19Å; P395-K399 HydrophobicContact CB-CB 4.19Å; P395-K399 HydrophobicContact CB-CD 4.36Å
396	Y	93.1	Very high	82.3	Confident	34 Å²	34	73.4 Å²	73.4	13%	0.133	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-66.5	146.9	159	-67.1	-68.5	0	0	0	109.8	Y192 T193 L377 R383 Q398 K399	Y192-Y396 HydrophobicContact CE1-CE2 4.22Å; T193-Y396 HydrophobicContact CG2-CD2 4.37Å; T193-Y396 HydrophobicContact CG2-CG 4.11Å; T193-Y396 WeakPolarHBondContact O-CD2 3.09Å; L377-Y396 HydrophobicContact CB-CD1 3.88Å; L377-Y396 HydrophobicContact CB-CE1 4.29Å; L377-Y396 CarbonylContact O-C 3.59Å; L377-Y396 VanDerWaalsContact O-CA 3.26Å; L377-Y396 WeakPolarHBondContact O-CA 3.16Å; R383-Y396 VanDerWaalsContact CD-OH 3.32Å; R383-Y396 WeakPolarHBondContact CD-OH 3.36Å; R383-Y396 HydrophobicContact CG-CE1 4.37Å; Y396-Q398 PolarHBondContact O-N 2.71Å; Y396-Q398 VanDerWaalsContact O-N 3.1Å; Y396-K399 VanDerWaalsContact O-CB 3.27Å; Y396-K399 WeakPolarHBondContact O-CB 3.23Å; Y396-K399 PolarHBondContact O-N 3.25Å
397	C	93.6	Very high	83.1	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.027	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.9	-174.2	-55.8	0	0	0	0	113.6	C376 L377 R416 F420	C376-C397 HydrophobicContact CB-CB 3.89Å; C376-C397 WeakPolarHBondContact CB-SG 3.35Å; C376-C397 VanDerWaalsContact SG-CA 3.56Å; C376-C397 WeakPolarHBondContact SG-CB 3.43Å; C376-C397 CovalentContact SG-SG 2.04Å; C376-C397 PolarHBondContact SG-SG 3.2Å; L377-C397 PolarHBondContact O-N 3.37Å; L377-C397 PolarHBondContact O-SG 2.71Å; L377-C397 VanDerWaalsContact O-SG 3.4Å; C397-R416 PolarHBondContact O-NH1 3.04Å; C397-F420 HydrophobicContact CB-CB 4.45Å; C397-F420 HydrophobicContact CB-CG 4.33Å
398	Q	92.4	Very high	84.1	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.308	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.7	174.9	-66.1	179.7	-3.8	0	0	114.9	F190 T193 Y396 L400	F190-Q398 HydrophobicContact CD2-CB 4.09Å; F190-Q398 HydrophobicContact CE2-CB 4.25Å; F190-Q398 VanDerWaalsContact CE2-O 3.28Å; F190-Q398 WeakPolarHBondContact CE2-O 3.4Å; T193-Q398 HydrophobicContact CG2-CB 4.4Å; Y396-Q398 PolarHBondContact O-N 2.71Å; Y396-Q398 VanDerWaalsContact O-N 3.1Å; Q398-L400 PolarHBondContact O-N 3.32Å
399	K	93.9	Very high	85.1	Confident	48 Å²	48	72.4 Å²	72.4	21%	0.209	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.6	129.1	-178.6	-172.4	160.2	-173.7	156.7	0	110.1	T193 L195 N196 P395 Y396 R416	T193-K399 WeakPolarHBondContact O-CB 3.39Å; T193-K399 WeakPolarHBondContact O-CD 3.37Å; T193-K399 WeakPolarHBondContact O-CG 3.42Å; L195-K399 PolarHBondContact O-NZ 3.4Å; N196-K399 PolarHBondContact OD1-NZ 3.37Å; P395-K399 HydrophobicContact CB-CB 4.19Å; P395-K399 HydrophobicContact CB-CD 4.36Å; Y396-K399 VanDerWaalsContact O-CB 3.27Å; Y396-K399 WeakPolarHBondContact O-CB 3.23Å; Y396-K399 PolarHBondContact O-N 3.25Å; K399-R416 PolarHBondContact O-NH1 3.31Å; K399-R416 PolarHBondContact O-NH2 3.26Å
400	L	94.4	Very high	86.4	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.047	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61	136.1	-179.9	-70.8	167.8	0	0	0	110.5	I159 R162 L163 L166 F190 N194 Q398 V404	I159-L400 HydrophobicContact CG2-CD1 4.29Å; R162-L400 HydrophobicContact CB-CD1 3.83Å; L163-L400 HydrophobicContact CB-CD1 4.37Å; L163-L400 HydrophobicContact CD1-CD2 4.22Å; L166-L400 HydrophobicContact CB-CD2 4.41Å; L166-L400 HydrophobicContact CD2-CD2 3.5Å; F190-L400 HydrophobicContact CE1-CD1 4.37Å; F190-L400 HydrophobicContact CE1-CG 4.49Å; F190-L400 HydrophobicContact CZ-CD1 4.23Å; F190-L400 HydrophobicContact CZ-CD2 4Å; F190-L400 HydrophobicContact CZ-CG 3.89Å; N194-L400 VanDerWaalsContact OD1-CB 3.29Å; N194-L400 WeakPolarHBondContact OD1-CB 3.27Å; N194-L400 VanDerWaalsContact OD1-CG 3.25Å; N194-L400 WeakPolarHBondContact OD1-CG 3.3Å; N194-L400 PolarHBondContact OD1-N 3.29Å; Q398-L400 PolarHBondContact O-N 3.32Å; L400-V404 HydrophobicContact CB-CG1 4.29Å
401	P	93.9	Very high	88	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.013	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-59.1	158.6	174.5	31.1	-38.6	0	0	0	110	R162 L166 V404 G409 E412	R162-P401 PolarHBondContact NH2-O 2.89Å; L166-P401 HydrophobicContact CD1-CG 3.9Å; L166-P401 HydrophobicContact CD2-CG 4.14Å; P401-V404 HydrophobicContact CG-CG1 4.13Å; P401-V404 WeakPolarHBondContact O-CG1 3.47Å; P401-G409 WeakPolarHBondContact CG-O 3.22Å; P401-E412 WeakPolarHBondContact CB-OE2 3.28Å
402	I	90.9	Very high	89.7	Confident	150 Å²	150	64.2 Å²	64.2	77%	0.769	31%	0.314	S	S	*	.	S	Bend	trans	-61.7	-52.5	-179.7	-61.2	176.2	0	0	0	109.6	R162 V404	R162-I402 PolarHBondContact NH2-O 2.66Å; I402-V404 PolarHBondContact O-N 3.03Å
403	N	91.9	Very high	91.5	Very high	98 Å²	98	54.8 Å²	54.8	52%	0.524	27%	0.273	S	S	.	.			trans	-91.7	79.5	-178.4	-63.8	-10.7	0	0	0	111.6	N405 D406	N403-N405 PolarHBondContact O-N 2.77Å; N403-D406 HydrophobicContact CB-CB 3.85Å; N403-D406 PolarHBondContact O-N 2.99Å
404	V	93.7	Very high	92.7	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.042	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.9	177.8	-66.7	0	0	0	0	115.2	R162 Q165 L166 T169 L400 P401 I402	R162-V404 HydrophobicContact CB-CG1 4.3Å; R162-V404 HydrophobicContact CB-CG2 4.21Å; R162-V404 HydrophobicContact CG-CG2 4.31Å; Q165-V404 CarbonylContact C-O 3.57Å; Q165-V404 HydrophobicContact CB-CB 4.24Å; Q165-V404 HydrophobicContact CB-CG2 3.78Å; L166-V404 WeakPolarHBondContact CA-O 3.35Å; L166-V404 HydrophobicContact CB-CB 4.1Å; L166-V404 HydrophobicContact CB-CG1 4.19Å; L166-V404 PolarHBondContact N-O 2.95Å; T169-V404 PolarHBondContact OG1-O 3.44Å; L400-V404 HydrophobicContact CB-CG1 4.29Å; P401-V404 HydrophobicContact CG-CG1 4.13Å; P401-V404 WeakPolarHBondContact O-CG1 3.47Å; I402-V404 PolarHBondContact O-N 3.03Å
405	N	93	Very high	93.2	Very high	113 Å²	113	53.4 Å²	53.4	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	11.4	179.5	-58.5	-24.7	0	0	0	112.7	Q165 N403	Q165-N405 WeakPolarHBondContact CB-OD1 3.42Å; Q165-N405 WeakPolarHBondContact CG-OD1 3.47Å; N403-N405 PolarHBondContact O-N 2.77Å
406	D	92.9	Very high	93.4	Very high	52 Å²	52	52.6 Å²	52.6	28%	0.278	27%	0.266	S	S	.	.	S	Bend	trans	-126	142.1	-171.9	-178.6	16.1	0	0	0	110.3	N403 N408 G409 A410	N403-D406 HydrophobicContact CB-CB 3.85Å; N403-D406 PolarHBondContact O-N 2.99Å; D406-N408 VanDerWaalsContact CG-ND2 3.3Å; D406-N408 PolarHBondContact O-N 2.87Å; D406-N408 PolarHBondContact OD1-ND2 2.81Å; D406-N408 VanDerWaalsContact OD1-ND2 3.08Å; D406-N408 PolarHBondContact OD2-ND2 2.8Å; D406-G409 PolarHBondContact O-N 2.98Å; D406-A410 PolarHBondContact O-N 3.23Å
407	I	93.5	Very high	93.4	Very high	65 Å²	65	52.1 Å²	52.1	33%	0.333	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-36.3	179.8	-168.9	175.8	0	0	0	111.1	N173 G409 A410 E411	N173-I407 HydrophobicContact CB-CD1 4.19Å; N173-I407 HydrophobicContact CB-CG1 4.3Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 2.82Å; I407-A410 WeakPolarHBondContact O-CB 3.41Å; I407-A410 PolarHBondContact O-N 2.73Å; I407-A410 VanDerWaalsContact O-N 3.07Å; I407-E411 HydrophobicContact CG1-CG 4.4Å; I407-E411 PolarHBondContact O-N 2.93Å
408	N	94.5	Very high	93.5	Very high	102 Å²	102	55.9 Å²	55.9	55%	0.545	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-39	175.8	-59.3	-71.7	0	0	0	111.9	D406 E412	D406-N408 VanDerWaalsContact CG-ND2 3.3Å; D406-N408 PolarHBondContact O-N 2.87Å; D406-N408 PolarHBondContact OD1-ND2 2.81Å; D406-N408 VanDerWaalsContact OD1-ND2 3.08Å; D406-N408 PolarHBondContact OD2-ND2 2.8Å; N408-E412 VanDerWaalsContact O-CB 3.24Å; N408-E412 WeakPolarHBondContact O-CB 3.36Å; N408-E412 PolarHBondContact O-N 3.03Å
409	G	93.3	Very high	93.6	Very high	2 Å²	2	54 Å²	54	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-72.6	-35.5	176.6	0	0	0	0	0	113	P401 D406 I407 M413	P401-G409 WeakPolarHBondContact CG-O 3.22Å; D406-G409 PolarHBondContact O-N 2.98Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 2.82Å; G409-M413 WeakPolarHBondContact O-CB 3.09Å; G409-M413 PolarHBondContact O-N 2.85Å
410	A	93.9	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-43	174	0	0	0	0	0	111.8	L166 T169 M170 I175 D406 I407 M413 K414	L166-A410 HydrophobicContact CD1-CB 4.33Å; T169-A410 HydrophobicContact CG2-CB 4.32Å; M170-A410 WeakPolarHBondContact CE-O 3.43Å; M170-A410 HydrophobicContact CG-CB 3.79Å; I175-A410 HydrophobicContact CD1-CB 3.8Å; D406-A410 PolarHBondContact O-N 3.23Å; I407-A410 WeakPolarHBondContact O-CB 3.41Å; I407-A410 PolarHBondContact O-N 2.73Å; I407-A410 VanDerWaalsContact O-N 3.07Å; A410-M413 PolarHBondContact O-N 2.69Å; A410-K414 WeakPolarHBondContact O-CB 3.38Å; A410-K414 PolarHBondContact O-N 2.7Å
411	E	93.6	Very high	93.6	Very high	101 Å²	101	53.3 Å²	53.3	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-40.4	174.5	-68.5	-173.3	167.2	0	0	112.6	I175 I407 M413 K414 T415	I175-E411 HydrophobicContact CD1-CG 4.29Å; I407-E411 HydrophobicContact CG1-CG 4.4Å; I407-E411 PolarHBondContact O-N 2.93Å; E411-M413 VanDerWaalsContact C-N 3.32Å; E411-M413 PolarHBondContact O-N 3.27Å; E411-K414 PolarHBondContact O-N 3.2Å; E411-T415 WeakPolarHBondContact O-CB 3.48Å; E411-T415 WeakPolarHBondContact O-CG2 3.23Å; E411-T415 PolarHBondContact O-N 2.88Å; E411-T415 PolarHBondContact O-OG1 2.9Å
412	E	93	Very high	93.6	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-42.2	173.8	-168.8	-145.7	123.2	0	0	111.5	P401 N408 T415 R416	P401-E412 WeakPolarHBondContact CB-OE2 3.28Å; N408-E412 VanDerWaalsContact O-CB 3.24Å; N408-E412 WeakPolarHBondContact O-CB 3.36Å; N408-E412 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 2.88Å; E412-R416 WeakPolarHBondContact O-CB 3.32Å; E412-R416 WeakPolarHBondContact O-CG 3.44Å; E412-R416 PolarHBondContact O-N 2.87Å; E412-R416 PolarHBondContact O-NE 3.11Å; E412-R416 IonicContact OE1-CZ 2.66Å; E412-R416 VanDerWaalsContact OE1-CZ 3.27Å; E412-R416 IonicContact OE1-NE 2.64Å; E412-R416 PolarHBondContact OE1-NE 3.34Å; E412-R416 VanDerWaalsContact OE1-NE 3.1Å; E412-R416 IonicContact OE1-NH2 2.78Å; E412-R416 PolarHBondContact OE1-NH2 3.14Å
413	M	94.3	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-45.3	175.6	-168.8	77.3	-175.4	0	0	111.6	L166 M170 L182 G409 A410 E411 T415 R416 L417	L166-M413 HydrophobicContact CD2-CB 4.12Å; L166-M413 HydrophobicContact CD2-CG 3.9Å; L166-M413 HydrophobicContact CD2-SD 4.31Å; M170-M413 HydrophobicContact CE-CB 3.68Å; M170-M413 HydrophobicContact CE-CG 3.85Å; L182-M413 HydrophobicContact CD1-CE 3.88Å; L182-M413 HydrophobicContact CD2-CE 4.37Å; L182-M413 HydrophobicContact CD2-CG 4.21Å; G409-M413 WeakPolarHBondContact O-CB 3.09Å; G409-M413 PolarHBondContact O-N 2.85Å; A410-M413 PolarHBondContact O-N 2.69Å; E411-M413 VanDerWaalsContact C-N 3.32Å; E411-M413 PolarHBondContact O-N 3.27Å; M413-T415 PolarHBondContact O-N 2.83Å; M413-R416 PolarHBondContact O-N 2.86Å; M413-L417 HydrophobicContact CE-CD1 3.95Å; M413-L417 HydrophobicContact CE-CD2 4.24Å; M413-L417 HydrophobicContact CE-CG 4.17Å; M413-L417 HydrophobicContact CG-CD1 4.12Å; M413-L417 HydrophobicContact CG-CG 4.49Å; M413-L417 WeakPolarHBondContact O-CG 3.2Å; M413-L417 PolarHBondContact O-N 2.8Å
414	K	93.8	Very high	93.9	Very high	66 Å²	66	48 Å²	48	29%	0.287	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-50.5	178.6	179.6	-176.3	179.6	169.3	0	111.3	I175 D177 A410 E411 R416 L417 D418	I175-K414 HydrophobicContact CG2-CD 4.05Å; D177-K414 WeakPolarHBondContact OD2-CE 3.27Å; D177-K414 IonicContact OD2-NZ 2.71Å; D177-K414 PolarHBondContact OD2-NZ 3.3Å; A410-K414 WeakPolarHBondContact O-CB 3.38Å; A410-K414 PolarHBondContact O-N 2.7Å; E411-K414 PolarHBondContact O-N 3.2Å; K414-R416 PolarHBondContact O-N 2.82Å; K414-L417 PolarHBondContact O-N 2.02Å; K414-D418 WeakPolarHBondContact O-CB 3.33Å; K414-D418 PolarHBondContact O-N 3.06Å
415	T	93.9	Very high	93.9	Very high	86 Å²	86	53.1 Å²	53.1	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-37.1	-177.8	49.5	0	0	0	0	112.4	E411 E412 M413 C419	E411-T415 WeakPolarHBondContact O-CB 3.48Å; E411-T415 WeakPolarHBondContact O-CG2 3.23Å; E411-T415 PolarHBondContact O-N 2.88Å; E411-T415 PolarHBondContact O-OG1 2.9Å; E412-T415 PolarHBondContact O-OG1 2.88Å; M413-T415 PolarHBondContact O-N 2.83Å; T415-C419 VanDerWaalsContact O-CB 3.25Å; T415-C419 WeakPolarHBondContact O-CB 3.35Å; T415-C419 PolarHBondContact O-N 2.85Å
416	R	93.6	Very high	94	Very high	19 Å²	19	50.2 Å²	50.2	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-42.9	171.8	-75.4	-171	-76	121.6	-17.8	112.9	C397 K399 E412 M413 K414 F420	C397-R416 PolarHBondContact O-NH1 3.04Å; K399-R416 PolarHBondContact O-NH1 3.31Å; K399-R416 PolarHBondContact O-NH2 3.26Å; E412-R416 WeakPolarHBondContact O-CB 3.32Å; E412-R416 WeakPolarHBondContact O-CG 3.44Å; E412-R416 PolarHBondContact O-N 2.87Å; E412-R416 PolarHBondContact O-NE 3.11Å; E412-R416 IonicContact OE1-CZ 2.66Å; E412-R416 VanDerWaalsContact OE1-CZ 3.27Å; E412-R416 IonicContact OE1-NE 2.64Å; E412-R416 PolarHBondContact OE1-NE 3.34Å; E412-R416 VanDerWaalsContact OE1-NE 3.1Å; E412-R416 IonicContact OE1-NH2 2.78Å; E412-R416 PolarHBondContact OE1-NH2 3.14Å; M413-R416 PolarHBondContact O-N 2.86Å; K414-R416 PolarHBondContact O-N 2.82Å; R416-F420 VanDerWaalsContact O-CB 3.28Å; R416-F420 WeakPolarHBondContact O-CB 3.33Å; R416-F420 PolarHBondContact O-N 3.01Å
417	L	93.8	Very high	94.1	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.12	26%	0.263	C	S	.	.	H	α-helix	trans	-70.4	-41.4	179.3	-69.6	178.2	0	0	0	112.8	Y178 M413 K414 F420 G421	Y178-L417 HydrophobicContact CD1-CB 4.47Å; Y178-L417 HydrophobicContact CD2-CB 3.86Å; Y178-L417 HydrophobicContact CE2-CB 4.3Å; Y178-L417 HydrophobicContact CG-CB 3.96Å; Y178-L417 HydrophobicContact CG-CD1 4.25Å; M413-L417 HydrophobicContact CE-CD1 3.95Å; M413-L417 HydrophobicContact CE-CD2 4.24Å; M413-L417 HydrophobicContact CE-CG 4.17Å; M413-L417 HydrophobicContact CG-CD1 4.12Å; M413-L417 HydrophobicContact CG-CG 4.49Å; M413-L417 WeakPolarHBondContact O-CG 3.2Å; M413-L417 PolarHBondContact O-N 2.8Å; K414-L417 PolarHBondContact O-N 2.02Å; L417-F420 PolarHBondContact O-N 3.48Å; L417-G421 PolarHBondContact O-N 2.97Å
418	D	94.6	Very high	94.1	Very high	83 Å²	83	53.3 Å²	53.3	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-52.1	174.7	-178.5	59.4	0	0	0	111.2	Y178 K414 F420 G421 T422	Y178-D418 HydrophobicContact CE2-CB 3.96Å; K414-D418 WeakPolarHBondContact O-CB 3.33Å; K414-D418 PolarHBondContact O-N 3.06Å; D418-F420 VanDerWaalsContact C-N 3.34Å; D418-F420 PolarHBondContact O-N 2.85Å; D418-G421 WeakPolarHBondContact O-CA 2.96Å; D418-G421 PolarHBondContact O-N 2.81Å; D418-G421 VanDerWaalsContact O-N 3.07Å; D418-T422 PolarHBondContact O-N 2.94Å
419	C	95.4	Very high	94.1	Very high	26 Å²	26	55 Å²	55	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-43.2	177.4	-171.9	0	0	0	0	112.1	C374 T415 G421 T422 L423	C374-C419 WeakPolarHBondContact CA-SG 3.03Å; C374-C419 HydrophobicContact CB-CB 3.74Å; C374-C419 WeakPolarHBondContact CB-SG 3.33Å; C374-C419 WeakPolarHBondContact SG-CB 3.15Å; C374-C419 PolarHBondContact SG-O 3.22Å; C374-C419 CovalentContact SG-SG 2.04Å; C374-C419 PolarHBondContact SG-SG 3.33Å; T415-C419 VanDerWaalsContact O-CB 3.25Å; T415-C419 WeakPolarHBondContact O-CB 3.35Å; T415-C419 PolarHBondContact O-N 2.85Å; C419-G421 PolarHBondContact O-N 3.32Å; C419-T422 PolarHBondContact O-N 3.31Å; C419-T422 PolarHBondContact O-OG1 2.86Å; C419-L423 PolarHBondContact O-N 3.33Å
420	F	94.7	Very high	94.2	Very high	29 Å²	29	56 Å²	56	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-43.8	173.7	-179.2	-126.3	0	0	0	111.8	L370 N378 C397 R416 L417 D418 T422 L423 L424	L370-F420 HydrophobicContact CD1-CD2 3.77Å; L370-F420 HydrophobicContact CD2-CD2 3.87Å; L370-F420 HydrophobicContact CD2-CE2 3.91Å; N378-F420 HydrophobicContact CB-CE2 4.44Å; C397-F420 HydrophobicContact CB-CB 4.45Å; C397-F420 HydrophobicContact CB-CG 4.33Å; R416-F420 VanDerWaalsContact O-CB 3.28Å; R416-F420 WeakPolarHBondContact O-CB 3.33Å; R416-F420 PolarHBondContact O-N 3.01Å; L417-F420 PolarHBondContact O-N 3.48Å; D418-F420 VanDerWaalsContact C-N 3.34Å; D418-F420 PolarHBondContact O-N 2.85Å; F420-T422 PolarHBondContact O-N 3.31Å; F420-L423 PolarHBondContact O-N 2.96Å; F420-L424 HydrophobicContact CD1-CD1 4.07Å; F420-L424 HydrophobicContact CD2-CG 4.37Å; F420-L424 HydrophobicContact CE1-CD1 3.73Å; F420-L424 HydrophobicContact CE1-CG 4.29Å; F420-L424 HydrophobicContact CE2-CD1 4.46Å; F420-L424 HydrophobicContact CE2-CD2 3.97Å; F420-L424 HydrophobicContact CE2-CG 4.15Å; F420-L424 HydrophobicContact CZ-CD1 3.96Å; F420-L424 HydrophobicContact CZ-CD2 3.94Å; F420-L424 HydrophobicContact CZ-CG 4.12Å; F420-L424 WeakPolarHBondContact O-CG 3.36Å; F420-L424 PolarHBondContact O-N 3.3Å
421	G	94	Very high	94.2	Very high	14 Å²	14	59.8 Å²	59.8	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-42.3	176	0	0	0	0	0	113.6	L417 D418 C419 L423 L424 N425	L417-G421 PolarHBondContact O-N 2.97Å; D418-G421 WeakPolarHBondContact O-CA 2.96Å; D418-G421 PolarHBondContact O-N 2.81Å; D418-G421 VanDerWaalsContact O-N 3.07Å; C419-G421 PolarHBondContact O-N 3.32Å; G421-L423 PolarHBondContact O-N 2.8Å; G421-L424 PolarHBondContact O-N 3.3Å; G421-N425 PolarHBondContact O-N 3.19Å; G421-N425 PolarHBondContact O-ND2 3.49Å
422	T	94.6	Very high	94.2	Very high	66 Å²	66	59.3 Å²	59.3	41%	0.405	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.2	66.4	0	0	0	0	111.8	D418 C419 F420 L424 N425 D426	D418-T422 PolarHBondContact O-N 2.94Å; C419-T422 PolarHBondContact O-N 3.31Å; C419-T422 PolarHBondContact O-OG1 2.86Å; F420-T422 PolarHBondContact O-N 3.31Å; T422-L424 VanDerWaalsContact C-N 3.35Å; T422-L424 PolarHBondContact O-N 2.83Å; T422-N425 PolarHBondContact O-N 2.96Å; T422-D426 PolarHBondContact O-N 3.34Å; T422-D426 VanDerWaalsContact O-N 3.15Å
423	L	94.3	Very high	94.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.2	-32.2	177.9	-174.7	144.9	0	0	0	112.8	E369 L370 W381 C419 F420 G421 N425 D426 L427 L430	E369-L423 HydrophobicContact CB-CD1 4.08Å; L370-L423 HydrophobicContact CB-CD1 3.86Å; L370-L423 HydrophobicContact CB-CD2 4.4Å; L370-L423 HydrophobicContact CD1-CD1 4.18Å; L370-L423 HydrophobicContact CD1-CD2 4.46Å; W381-L423 HydrophobicContact CH2-CD2 3.69Å; W381-L423 HydrophobicContact CZ3-CD2 4.05Å; C419-L423 PolarHBondContact O-N 3.33Å; F420-L423 PolarHBondContact O-N 2.96Å; G421-L423 PolarHBondContact O-N 2.8Å; L423-N425 VanDerWaalsContact C-N 3.32Å; L423-D426 PolarHBondContact O-N 2.66Å; L423-L427 HydrophobicContact CD2-CD2 4.06Å; L423-L427 WeakPolarHBondContact O-CG 3.49Å; L423-L427 PolarHBondContact O-N 3.01Å; L423-L430 HydrophobicContact CG-CD1 4.36Å
424	L	93.4	Very high	94.1	Very high	73 Å²	73	61.1 Å²	61.1	38%	0.382	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-37.2	173.4	-72.8	-177.4	0	0	0	112.1	F420 G421 T422 L427	F420-L424 HydrophobicContact CD1-CD1 4.07Å; F420-L424 HydrophobicContact CD2-CG 4.37Å; F420-L424 HydrophobicContact CE1-CD1 3.73Å; F420-L424 HydrophobicContact CE1-CG 4.29Å; F420-L424 HydrophobicContact CE2-CD1 4.46Å; F420-L424 HydrophobicContact CE2-CD2 3.97Å; F420-L424 HydrophobicContact CE2-CG 4.15Å; F420-L424 HydrophobicContact CZ-CD1 3.96Å; F420-L424 HydrophobicContact CZ-CD2 3.94Å; F420-L424 HydrophobicContact CZ-CG 4.12Å; F420-L424 WeakPolarHBondContact O-CG 3.36Å; F420-L424 PolarHBondContact O-N 3.3Å; G421-L424 PolarHBondContact O-N 3.3Å; T422-L424 VanDerWaalsContact C-N 3.35Å; T422-L424 PolarHBondContact O-N 2.83Å; L424-L427 HydrophobicContact CD2-CD1 3.85Å; L424-L427 WeakPolarHBondContact O-CD1 2.91Å; L424-L427 VanDerWaalsContact O-CG 3.25Å; L424-L427 WeakPolarHBondContact O-CG 3.13Å
425	N	94.4	Very high	94	Very high	114 Å²	114	61.4 Å²	61.4	61%	0.61	32%	0.315	S	S	*	.	H	α-helix	trans	-69.8	-37.5	173.8	-69.7	-53.8	0	0	0	112.3	G421 T422 L423 L427	G421-N425 PolarHBondContact O-N 3.19Å; G421-N425 PolarHBondContact O-ND2 3.49Å; T422-N425 PolarHBondContact O-N 2.96Å; L423-N425 VanDerWaalsContact C-N 3.32Å; N425-L427 VanDerWaalsContact C-N 3.25Å; N425-L427 PolarHBondContact O-N 3.12Å
426	D	94.9	Very high	93.8	Very high	52 Å²	52	65 Å²	65	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-15.2	178.3	-88.4	7.6	0	0	0	114.5	R373 T422 L423 K428 Q429 L430	R373-D426 IonicContact CZ-OD2 3.82Å; R373-D426 IonicContact NH1-OD2 3.39Å; R373-D426 PolarHBondContact NH1-OD2 2.87Å; R373-D426 IonicContact NH2-OD2 2.97Å; T422-D426 PolarHBondContact O-N 3.34Å; T422-D426 VanDerWaalsContact O-N 3.15Å; L423-D426 PolarHBondContact O-N 2.66Å; D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 3.07Å; D426-Q429 PolarHBondContact O-N 3.03Å; D426-L430 HydrophobicContact CB-CD1 3.71Å; D426-L430 HydrophobicContact CB-CG 4.03Å; D426-L430 PolarHBondContact O-N 3.01Å
427	L	94.4	Very high	93.7	Very high	37 Å²	37	70.4 Å²	70.4	19%	0.194	35%	0.352	C	S	.	.	H	α-helix	trans	-50.4	-40.6	-166.6	-75.4	-179.9	0	0	0	115.3	L366 W381 L423 L424 N425 K431	L366-L427 HydrophobicContact CD1-CD2 3.68Å; L366-L427 HydrophobicContact CD2-CD2 3.7Å; L366-L427 HydrophobicContact CG-CD2 4.23Å; W381-L427 HydrophobicContact CH2-CD2 3.95Å; W381-L427 HydrophobicContact CZ2-CD2 4.03Å; L423-L427 HydrophobicContact CD2-CD2 4.06Å; L423-L427 WeakPolarHBondContact O-CG 3.49Å; L423-L427 PolarHBondContact O-N 3.01Å; L424-L427 HydrophobicContact CD2-CD1 3.85Å; L424-L427 WeakPolarHBondContact O-CD1 2.91Å; L424-L427 VanDerWaalsContact O-CG 3.25Å; L424-L427 WeakPolarHBondContact O-CG 3.13Å; N425-L427 VanDerWaalsContact C-N 3.25Å; N425-L427 PolarHBondContact O-N 3.12Å; L427-K431 WeakPolarHBondContact O-CB 3.5Å; L427-K431 VanDerWaalsContact O-CG 3.31Å; L427-K431 WeakPolarHBondContact O-CG 3.34Å; L427-K431 PolarHBondContact O-N 2.97Å; L427-K431 VanDerWaalsContact O-N 3.11Å
428	K	94.3	Very high	93.5	Very high	146 Å²	146	70.9 Å²	70.9	64%	0.635	36%	0.363	S	S	*	.	H	α-helix	trans	-63.9	-53.6	179.6	179.5	175.2	176.3	178.5	0	110.4	D426 L430 K431 E432	D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 3.07Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.42Å; K428-K431 PolarHBondContact O-N 3.23Å; K428-E432 WeakPolarHBondContact CE-OE1 3.47Å; K428-E432 HydrophobicContact CG-CG 4.45Å; K428-E432 WeakPolarHBondContact CG-OE1 3.21Å; K428-E432 IonicContact NZ-OE1 2.96Å; K428-E432 WeakPolarHBondContact O-CB 3.4Å; K428-E432 WeakPolarHBondContact O-CG 3.38Å; K428-E432 PolarHBondContact O-N 2.89Å
429	Q	95.1	Very high	93.4	Very high	138 Å²	138	71 Å²	71	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-62.5	-40	-178.2	-57	-174.5	19.3	0	0	111.7	D426 K433	D426-Q429 PolarHBondContact O-N 3.03Å; Q429-K433 WeakPolarHBondContact O-CB 3.24Å; Q429-K433 PolarHBondContact O-N 3.46Å
430	L	94.5	Very high	93.2	Very high	22 Å²	22	69.8 Å²	69.8	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-41.9	177.4	-69.7	174.3	0	0	0	112.6	M365 L366 L423 D426 K428 A434	M365-L430 HydrophobicContact CE-CB 4.34Å; M365-L430 WeakPolarHBondContact CE-O 2.96Å; L366-L430 HydrophobicContact CD2-CB 3.82Å; L366-L430 HydrophobicContact CD2-CD1 3.92Å; L423-L430 HydrophobicContact CG-CD1 4.36Å; D426-L430 HydrophobicContact CB-CD1 3.71Å; D426-L430 HydrophobicContact CB-CG 4.03Å; D426-L430 PolarHBondContact O-N 3.01Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.42Å; L430-A434 WeakPolarHBondContact O-CB 3.08Å; L430-A434 PolarHBondContact O-N 3.15Å; L430-A434 VanDerWaalsContact O-N 3.1Å
431	K	94.4	Very high	93.1	Very high	80 Å²	80	71 Å²	71	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-47.8	175.5	-72.8	176.8	-175.1	180	0	111.6	L366 L427 K428 K433 A434 V435	L366-K431 HydrophobicContact CD1-CD 4.41Å; L366-K431 HydrophobicContact CD1-CG 4.14Å; L427-K431 WeakPolarHBondContact O-CB 3.5Å; L427-K431 VanDerWaalsContact O-CG 3.31Å; L427-K431 WeakPolarHBondContact O-CG 3.34Å; L427-K431 PolarHBondContact O-N 2.97Å; L427-K431 VanDerWaalsContact O-N 3.11Å; K428-K431 PolarHBondContact O-N 3.23Å; K431-K433 PolarHBondContact O-N 3.38Å; K431-A434 PolarHBondContact O-N 3.3Å; K431-V435 WeakPolarHBondContact O-CG2 3.47Å; K431-V435 PolarHBondContact O-N 3.29Å
432	E	93.4	Very high	93.1	Very high	91 Å²	91	71 Å²	71	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-47.3	179.8	-73.5	170.9	169.7	0	0	111.5	K428 A434 V435 Q436	K428-E432 WeakPolarHBondContact CE-OE1 3.47Å; K428-E432 HydrophobicContact CG-CG 4.45Å; K428-E432 WeakPolarHBondContact CG-OE1 3.21Å; K428-E432 IonicContact NZ-OE1 2.96Å; K428-E432 WeakPolarHBondContact O-CB 3.4Å; K428-E432 WeakPolarHBondContact O-CG 3.38Å; K428-E432 PolarHBondContact O-N 2.89Å; E432-A434 PolarHBondContact O-N 3.15Å; E432-V435 PolarHBondContact O-N 3.23Å; E432-Q436 WeakPolarHBondContact O-CG 3.13Å; E432-Q436 PolarHBondContact O-N 3.02Å
433	K	93.9	Very high	93.1	Very high	114 Å²	114	70 Å²	70	50%	0.496	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-44.1	175.5	-177.3	177.7	178.3	-179.1	0	112.4	Q429 K431 V435 Q436 Q437	Q429-K433 WeakPolarHBondContact O-CB 3.24Å; Q429-K433 PolarHBondContact O-N 3.46Å; K431-K433 PolarHBondContact O-N 3.38Å; K433-V435 VanDerWaalsContact C-N 3.32Å; K433-V435 PolarHBondContact O-N 3.17Å; K433-Q436 PolarHBondContact O-N 3.43Å; K433-Q437 HydrophobicContact CG-CG 4.4Å; K433-Q437 VanDerWaalsContact O-CB 3.3Å; K433-Q437 WeakPolarHBondContact O-CB 3.28Å; K433-Q437 VanDerWaalsContact O-CG 3.27Å; K433-Q437 WeakPolarHBondContact O-CG 3.38Å; K433-Q437 PolarHBondContact O-N 3.39Å
434	A	91.6	Very high	93.1	Very high	5 Å²	5	70.6 Å²	70.6	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-30.2	178.9	0	0	0	0	0	113.4	L362 M365 L430 K431 E432 G438 V439	L362-A434 HydrophobicContact CD2-CB 4.15Å; M365-A434 HydrophobicContact CE-CB 3.76Å; M365-A434 HydrophobicContact CG-CB 4.38Å; M365-A434 HydrophobicContact SD-CB 4.45Å; L430-A434 WeakPolarHBondContact O-CB 3.08Å; L430-A434 PolarHBondContact O-N 3.15Å; L430-A434 VanDerWaalsContact O-N 3.1Å; K431-A434 PolarHBondContact O-N 3.3Å; E432-A434 PolarHBondContact O-N 3.15Å; A434-G438 PolarHBondContact O-N 2.81Å; A434-V439 HydrophobicContact CB-CB 4.29Å; A434-V439 WeakPolarHBondContact O-CB 3.47Å; A434-V439 PolarHBondContact O-N 3.33Å
435	V	91.2	Very high	93.2	Very high	71 Å²	71	67.9 Å²	67.9	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-72.1	-48.3	171.7	173	0	0	0	0	110.7	L362 K431 E432 K433 Q437 G438	L362-V435 HydrophobicContact CD1-CG2 4.44Å; L362-V435 HydrophobicContact CD2-CG2 4.16Å; K431-V435 WeakPolarHBondContact O-CG2 3.47Å; K431-V435 PolarHBondContact O-N 3.29Å; E432-V435 PolarHBondContact O-N 3.23Å; K433-V435 VanDerWaalsContact C-N 3.32Å; K433-V435 PolarHBondContact O-N 3.17Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3Å; V435-G438 PolarHBondContact O-N 3.16Å
436	Q	90.1	Very high	93.2	Very high	163 Å²	163	65.6 Å²	65.6	76%	0.762	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-35.5	177.7	-71.5	173.2	3.7	0	0	112.9	E432 K433 G438	E432-Q436 WeakPolarHBondContact O-CG 3.13Å; E432-Q436 PolarHBondContact O-N 3.02Å; K433-Q436 PolarHBondContact O-N 3.43Å; Q436-G438 VanDerWaalsContact C-N 3.27Å; Q436-G438 PolarHBondContact O-N 2.98Å
437	Q	91.8	Very high	93.2	Very high	131 Å²	131	66.8 Å²	66.8	61%	0.612	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	1.9	176.6	-69.2	-176.5	-34.4	0	0	113.8	K433 V435 V439	K433-Q437 HydrophobicContact CG-CG 4.4Å; K433-Q437 VanDerWaalsContact O-CB 3.3Å; K433-Q437 WeakPolarHBondContact O-CB 3.28Å; K433-Q437 VanDerWaalsContact O-CG 3.27Å; K433-Q437 WeakPolarHBondContact O-CG 3.38Å; K433-Q437 PolarHBondContact O-N 3.39Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 3Å; Q437-V439 VanDerWaalsContact C-N 3.26Å; Q437-V439 HydrophobicContact CB-CG2 3.92Å; Q437-V439 PolarHBondContact O-N 3.12Å
438	G	89.6	Confident	93.3	Very high	34 Å²	34	67.1 Å²	67.1	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	18.8	178.8	0	0	0	0	0	114.9	A434 V435 Q436 C440 I441	A434-G438 PolarHBondContact O-N 2.81Å; V435-G438 PolarHBondContact O-N 3.16Å; Q436-G438 VanDerWaalsContact C-N 3.27Å; Q436-G438 PolarHBondContact O-N 2.98Å; G438-C440 VanDerWaalsContact C-N 3.35Å; G438-C440 PolarHBondContact O-N 2.72Å; G438-I441 WeakPolarHBondContact O-CG1 3.25Å
439	V	91.1	Very high	93.4	Very high	84 Å²	84	61.4 Å²	61.4	51%	0.509	31%	0.308	S	S	.	.	S	Bend	trans	-71	-31.7	-175.9	-178.3	0	0	0	0	111.8	A434 Q437	A434-V439 HydrophobicContact CB-CB 4.29Å; A434-V439 WeakPolarHBondContact O-CB 3.47Å; A434-V439 PolarHBondContact O-N 3.33Å; Q437-V439 VanDerWaalsContact C-N 3.26Å; Q437-V439 HydrophobicContact CB-CG2 3.92Å; Q437-V439 PolarHBondContact O-N 3.12Å
440	C	92.6	Very high	93.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.296	C	S	.	.	S	Bend	trans	-129.7	83.8	178.4	-71.6	0	0	0	0	110.6	Q358 C361 L362 G438	Q358-C440 HydrophobicContact CG-CB 4.34Å; Q358-C440 WeakPolarHBondContact CG-O 2.98Å; Q358-C440 PolarHBondContact NE2-O 3.48Å; C361-C440 HydrophobicContact CB-CB 3.72Å; C361-C440 WeakPolarHBondContact CB-SG 3.04Å; C361-C440 PolarHBondContact O-SG 3.31Å; C361-C440 WeakPolarHBondContact SG-CA 3.22Å; C361-C440 WeakPolarHBondContact SG-CB 3.39Å; C361-C440 CovalentContact SG-SG 2.05Å; C361-C440 PolarHBondContact SG-SG 3.46Å; L362-C440 HydrophobicContact CD2-CB 3.88Å; L362-C440 HydrophobicContact CG-CB 4.11Å; G438-C440 VanDerWaalsContact C-N 3.35Å; G438-C440 PolarHBondContact O-N 2.72Å
441	I	92.3	Very high	93.3	Very high	54 Å²	54	60.4 Å²	60.4	28%	0.277	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.4	140	178	-59.1	179.7	0	0	0	109.9	P339 T341 Y356 G438	P339-I441 HydrophobicContact CB-CG2 4.4Å; T341-I441 HydrophobicContact CG2-CB 4.44Å; T341-I441 HydrophobicContact CG2-CG2 4.21Å; Y356-I441 WeakPolarHBondContact CE1-O 3.07Å; Y356-I441 VanDerWaalsContact CZ-O 3.28Å; Y356-I441 PolarHBondContact OH-N 2.64Å; Y356-I441 PolarHBondContact OH-O 3.07Å; G438-I441 WeakPolarHBondContact O-CG1 3.25Å
442	P	93.5	Very high	93.4	Very high	14 Å²	14	62.1 Å²	62.1	9%	0.091	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69.4	157.4	174.4	28.9	-35.6	0	0	0	112.8	P339 C340 T341	P339-P442 WeakPolarHBondContact O-CD 3.29Å; P339-P442 WeakPolarHBondContact O-CG 3.43Å; C340-P442 CarbonylContact C-O 3.49Å; C340-P442 VanDerWaalsContact CA-O 3.22Å; C340-P442 WeakPolarHBondContact CA-O 3.29Å; C340-P442 HydrophobicContact CB-CG 4.25Å; C340-P442 WeakPolarHBondContact CB-O 3.44Å; T341-P442 PolarHBondContact N-O 3.05Å
443	R	94.5	Very high	93.4	Very high	45 Å²	45	61.4 Å²	61.4	17%	0.17	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-70.4	146.5	167.4	-91.5	168.2	59.3	-156.9	-2.6	111	E301 T341 Y356 G445	E301-R443 VanDerWaalsContact CD-NH2 3.32Å; E301-R443 IonicContact OE1-CZ 3.7Å; E301-R443 IonicContact OE1-NH1 2.83Å; E301-R443 IonicContact OE1-NH2 3.75Å; E301-R443 PolarHBondContact OE1-NH2 2.76Å; E301-R443 IonicContact OE2-CZ 2.73Å; E301-R443 IonicContact OE2-NH1 3.82Å; E301-R443 PolarHBondContact OE2-NH1 2.98Å; E301-R443 IonicContact OE2-NH2 2.72Å; E301-R443 PolarHBondContact OE2-NH2 3.43Å; E301-R443 VanDerWaalsContact OE2-NH2 3.13Å; T341-R443 CarbonylContact O-C 3.18Å; T341-R443 VanDerWaalsContact O-CA 3.24Å; T341-R443 WeakPolarHBondContact O-CA 3.25Å; Y356-R443 HydrophobicContact CD1-CG 4.14Å; Y356-R443 WeakPolarHBondContact O-CD 3.34Å; Y356-R443 PolarHBondContact O-NH1 2.8Å; R443-G445 PolarHBondContact NE-O 3.1Å; R443-G445 VanDerWaalsContact NE-O 3.11Å; R443-G445 PolarHBondContact NH2-O 2.01Å
444	C	95.2	Very high	93.4	Very high	13 Å²	13	57.7 Å²	57.7	9%	0.088	30%	0.304	C	S	.	.	S	Bend	trans	-76.6	-47.5	172.4	-52.3	0	0	0	0	111.6	K331 R332 C340 T341 N342	K331-C444 CarbonylContact C-O 3.49Å; K331-C444 WeakPolarHBondContact CA-O 3.3Å; R332-C444 PolarHBondContact N-O 2.84Å; C340-C444 HydrophobicContact CB-CB 3.95Å; C340-C444 WeakPolarHBondContact CB-SG 3.23Å; C340-C444 PolarHBondContact O-SG 3.18Å; C340-C444 VanDerWaalsContact SG-CA 3.54Å; C340-C444 WeakPolarHBondContact SG-CB 3.45Å; C340-C444 CovalentContact SG-SG 2.04Å; C340-C444 PolarHBondContact SG-SG 3.22Å; T341-C444 PolarHBondContact O-N 3.29Å; N342-C444 VanDerWaalsContact OD1-CB 3.29Å; N342-C444 WeakPolarHBondContact OD1-CB 3.32Å
445	G	94.6	Very high	93.5	Very high	15 Å²	15	59.4 Å²	59.4	16%	0.155	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.9	176.4	0	0	0	0	0	113.2	W330 N342 R443	W330-G445 WeakPolarHBondContact O-CA 3.36Å; N342-G445 PolarHBondContact OD1-N 2.85Å; R443-G445 PolarHBondContact NE-O 3.1Å; R443-G445 VanDerWaalsContact NE-O 3.11Å; R443-G445 PolarHBondContact NH2-O 2.01Å
446	Y	94.8	Very high	93.6	Very high	66 Å²	66	56 Å²	56	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	154.6	170.5	61.7	-89	0	0	0	112.5	E301 W330 T448	E301-Y446 WeakPolarHBondContact OE1-CA 3.49Å; W330-Y446 HydrophobicContact CB-CD1 4.28Å; W330-Y446 HydrophobicContact CB-CD2 4.04Å; W330-Y446 HydrophobicContact CB-CE1 3.85Å; W330-Y446 HydrophobicContact CB-CE2 3.56Å; W330-Y446 HydrophobicContact CB-CG 4.36Å; W330-Y446 VanDerWaalsContact CB-CZ 3.45Å; W330-Y446 AromaticContact CD1-CE2 3.53Å; W330-Y446 HydrophobicContact CD2-CE2 4.38Å; W330-Y446 HydrophobicContact CG-CD2 4.26Å; W330-Y446 AromaticContact CG-CE2 3.55Å; W330-Y446 HydrophobicContact CG-CE2 3.55Å; W330-Y446 AromaticContact CG-CZ 3.74Å; W330-Y446 PolarHBondContact N-O 2.87Å; W330-Y446 PolarHBondContact O-N 2.93Å; W330-Y446 VanDerWaalsContact O-N 3.09Å; Y446-T448 HydrophobicContact CD2-CG2 4.04Å; Y446-T448 HydrophobicContact CE2-CG2 3.9Å
447	Y	95.2	Very high	93.7	Very high	77 Å²	77	50.9 Å²	50.9	30%	0.302	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.1	174.7	-66.3	-90.5	0	0	0	112.7	E301 T327 L328 F329 T539	E301-Y447 PolarHBondContact OE1-N 3.05Å; T327-Y447 HydrophobicContact CG2-CD1 3.69Å; T327-Y447 HydrophobicContact CG2-CE1 4.21Å; L328-Y447 CarbonylContact O-C 3.53Å; L328-Y447 WeakPolarHBondContact O-CA 3.37Å; F329-Y447 HydrophobicContact CB-CD1 4Å; F329-Y447 HydrophobicContact CB-CE1 3.76Å; F329-Y447 AromaticContact CD2-CD1 3.91Å; F329-Y447 HydrophobicContact CD2-CD1 3.91Å; F329-Y447 HydrophobicContact CD2-CD2 4.07Å; F329-Y447 AromaticContact CD2-CE1 3.62Å; F329-Y447 HydrophobicContact CD2-CE1 3.62Å; F329-Y447 AromaticContact CD2-CE2 3.77Å; F329-Y447 HydrophobicContact CD2-CE2 3.77Å; F329-Y447 HydrophobicContact CD2-CG 4.13Å; F329-Y447 AromaticContact CD2-CZ 3.53Å; F329-Y447 HydrophobicContact CE2-CD2 4.47Å; F329-Y447 HydrophobicContact CE2-CE2 4.01Å; F329-Y447 HydrophobicContact CG-CD1 4.41Å; F329-Y447 AromaticContact CG-CE1 3.98Å; F329-Y447 HydrophobicContact CG-CE1 3.98Å; Y447-T539 HydrophobicContact CE1-CG2 4.43Å
448	T	95.8	Very high	93.5	Very high	45 Å²	45	46.5 Å²	46.5	28%	0.276	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	165.3	161.1	69.6	0	0	0	0	109.5	L328 W330 Y446	L328-T448 PolarHBondContact N-O 3.33Å; L328-T448 PolarHBondContact O-N 3.47Å; W330-T448 PolarHBondContact NE1-OG1 2.88Å; Y446-T448 HydrophobicContact CD2-CG2 4.04Å; Y446-T448 HydrophobicContact CE2-CG2 3.9Å
449	Y	95.5	Very high	93.2	Very high	25 Å²	25	52.8 Å²	52.8	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119	-177.6	-52.9	-86.4	0	0	0	108.3	P130 I299 Y325 E326 T327	P130-Y449 HydrophobicContact CB-CD1 4.16Å; P130-Y449 HydrophobicContact CB-CD2 3.94Å; P130-Y449 HydrophobicContact CB-CE1 3.88Å; P130-Y449 HydrophobicContact CB-CE2 3.68Å; P130-Y449 HydrophobicContact CB-CG 4.18Å; P130-Y449 HydrophobicContact CG-CD1 4.35Å; P130-Y449 HydrophobicContact CG-CE1 4.24Å; I299-Y449 HydrophobicContact CG2-CD2 4.14Å; I299-Y449 HydrophobicContact CG2-CG 4.18Å; Y325-Y449 AromaticContact CD2-CD1 3.68Å; Y325-Y449 HydrophobicContact CD2-CD1 3.68Å; Y325-Y449 HydrophobicContact CD2-CE1 4.47Å; Y325-Y449 HydrophobicContact CD2-CG 4.44Å; Y325-Y449 AromaticContact CE2-CD1 3.92Å; Y325-Y449 HydrophobicContact CE2-CD1 3.92Å; Y325-Y449 HydrophobicContact CE2-CE1 4.26Å; E326-Y449 VanDerWaalsContact O-CA 3.31Å; E326-Y449 WeakPolarHBondContact O-CA 3.26Å; T327-Y449 HydrophobicContact CG2-CD1 4.24Å; T327-Y449 HydrophobicContact CG2-CE1 3.88Å
450	D	94.8	Very high	92.9	Very high	76 Å²	76	50.3 Å²	50.3	41%	0.406	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.3	178.5	-71	0.1	0	0	0	107.5	E326 L328	E326-D450 PolarHBondContact N-O 2.86Å; E326-D450 PolarHBondContact O-N 3.1Å; L328-D450 HydrophobicContact CD1-CB 3.66Å; L328-D450 WeakPolarHBondContact CD2-OD2 3.43Å
451	T	94.2	Very high	92.4	Very high	64 Å²	64	53.2 Å²	53.2	39%	0.393	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.7	-164.7	56.6	0	0	0	0	113.1	I299 I323	I299-T451 HydrophobicContact CB-CG2 4.48Å; I299-T451 HydrophobicContact CD1-CG2 3.8Å; I323-T451 HydrophobicContact CG2-CG2 4.15Å
452	K	95.2	Very high	91.7	Very high	115 Å²	115	51.7 Å²	51.7	50%	0.5	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.1	173.1	-60.4	162.4	-168.1	162	0	108.3	I323 N324	I323-K452 WeakPolarHBondContact CA-O 3.36Å; N324-K452 HydrophobicContact CB-CB 4.46Å; N324-K452 PolarHBondContact N-O 3.02Å; N324-K452 PolarHBondContact O-N 2.9Å
453	L	94.1	Very high	90.9	Very high	76 Å²	76	54 Å²	54	40%	0.398	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	179.5	178.5	77.3	0	0	0	110.5	V313 I315 N321 E322 I323 V455	V313-L453 HydrophobicContact CG1-CD2 3.82Å; I315-L453 HydrophobicContact CD1-CD1 4.07Å; N321-L453 HydrophobicContact CB-CD1 4.42Å; E322-L453 WeakPolarHBondContact O-CA 3.36Å; I323-L453 HydrophobicContact CG1-CD1 3.8Å; L453-V455 HydrophobicContact CD1-CG2 4.17Å; L453-V455 HydrophobicContact CD2-CG2 3.55Å; L453-V455 HydrophobicContact CG-CG2 3.72Å
454	S	94.3	Very high	90.2	Very high	36 Å²	36	58.2 Å²	58.2	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.3	163.3	31.1	0	0	0	0	109.2	N321 E322	N321-S454 CarbonylContact C-O 3.52Å; N321-S454 WeakPolarHBondContact CA-O 3.19Å; E322-S454 WeakPolarHBondContact CB-OG 3.41Å; E322-S454 PolarHBondContact N-O 3.16Å; E322-S454 PolarHBondContact O-N 3.04Å; E322-S454 PolarHBondContact O-OG 2.7Å
455	V	93.7	Very high	89.5	Confident	41 Å²	41	59.2 Å²	59.2	25%	0.248	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.9	-177.3	-177.9	0	0	0	0	109.7	Q316 R319 M320 L453 E676 I677	Q316-V455 HydrophobicContact CB-CG1 4.28Å; R319-V455 HydrophobicContact CB-CG1 4.36Å; M320-V455 CarbonylContact O-C 3.57Å; L453-V455 HydrophobicContact CD1-CG2 4.17Å; L453-V455 HydrophobicContact CD2-CG2 3.55Å; L453-V455 HydrophobicContact CG-CG2 3.72Å; V455-E676 CarbonylContact O-C 3.55Å; V455-I677 PolarHBondContact O-N 3.33Å; V455-I677 VanDerWaalsContact O-N 3.17Å
456	T	93.1	Very high	88.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.9	-159.2	81.5	0	0	0	0	115.3	R319 M320 W458 E675 E676	R319-T456 CarbonylContact C-O 3.6Å; R319-T456 VanDerWaalsContact CA-O 3.27Å; R319-T456 WeakPolarHBondContact CA-O 3.15Å; R319-T456 VanDerWaalsContact CB-O 3.3Å; R319-T456 WeakPolarHBondContact CB-O 3.49Å; R319-T456 WeakPolarHBondContact CD-O 3.33Å; M320-T456 WeakPolarHBondContact CB-OG1 3.35Å; M320-T456 VanDerWaalsContact CG-OG1 3.27Å; M320-T456 WeakPolarHBondContact CG-OG1 3.44Å; M320-T456 PolarHBondContact N-O 2.73Å; M320-T456 PolarHBondContact O-N 3.27Å; M320-T456 PolarHBondContact O-OG1 2.79Å; T456-W458 PolarHBondContact O-N 2.93Å; T456-E675 VanDerWaalsContact CB-CA 3.44Å; T456-E676 VanDerWaalsContact CA-CA 3.42Å; T456-E676 VanDerWaalsContact CB-CA 3.44Å; T456-E676 HydrophobicContact CG2-CB 4.47Å; T456-E676 HydrophobicContact CG2-CG 4.02Å
457	S	91.6	Very high	87.7	Confident	55 Å²	55	57.3 Å²	57.3	39%	0.385	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	140.7	167.9	30	0	0	0	0	110.7	N674 E675 E676	S457-N674 CarbonylContact O-C 3.47Å; S457-E675 PolarHBondContact O-N 3.28Å; S457-E675 VanDerWaalsContact O-N 3.09Å; S457-E675 VanDerWaalsContact OG-C 3.27Å; S457-E675 PolarHBondContact OG-O 2.95Å; S457-E676 PolarHBondContact N-O 3.47Å; S457-E676 PolarHBondContact OG-N 3.49Å; S457-E676 PolarHBondContact OG-O 3.24Å; S457-E676 VanDerWaalsContact OG-O 3.12Å
458	W	87.4	Confident	86.9	Confident	39 Å²	39	58.9 Å²	58.9	15%	0.148	30%	0.302	C	S	.	.			trans	-150	105	178	-176.6	58	0	0	0	108	L268 M320 T456 P460 L465 H527 Y529	L268-W458 HydrophobicContact CD1-CH2 3.48Å; L268-W458 VanDerWaalsContact CD1-CH2 3.48Å; L268-W458 HydrophobicContact CD1-CZ3 3.9Å; L268-W458 HydrophobicContact CD2-CH2 4.4Å; M320-W458 HydrophobicContact CB-CB 3.71Å; M320-W458 HydrophobicContact CB-CG 3.98Å; M320-W458 HydrophobicContact CE-CG 3.95Å; T456-W458 PolarHBondContact O-N 2.93Å; W458-P460 VanDerWaalsContact C-CD 3.42Å; W458-P460 HydrophobicContact CD2-CB 4.44Å; W458-P460 HydrophobicContact CD2-CG 3.94Å; W458-P460 HydrophobicContact CE3-CG 4.03Å; W458-P460 HydrophobicContact CH2-CB 4.25Å; W458-P460 HydrophobicContact CH2-CG 3.68Å; W458-P460 HydrophobicContact CZ2-CB 3.68Å; W458-P460 HydrophobicContact CZ2-CG 3.59Å; W458-P460 HydrophobicContact CZ3-CG 3.91Å; W458-P460 VanDerWaalsContact O-CD 3.26Å; W458-P460 WeakPolarHBondContact O-CD 3.17Å; W458-L465 HydrophobicContact CH2-CD1 4.27Å; W458-L465 HydrophobicContact CZ2-CD1 4.43Å; W458-H527 HydrophobicContact CZ3-CB 4.12Å; W458-Y529 HydrophobicContact CD2-CD2 4.4Å; W458-Y529 HydrophobicContact CD2-CG 4.45Å; W458-Y529 AromaticContact CE2-CD2 3.75Å; W458-Y529 AromaticContact CH2-CD2 3.86Å; W458-Y529 HydrophobicContact CH2-CD2 3.86Å; W458-Y529 HydrophobicContact CH2-CG 4.5Å; W458-Y529 AromaticContact CZ2-CD2 3.46Å; W458-Y529 HydrophobicContact CZ2-CD2 3.46Å; W458-Y529 VanDerWaalsContact CZ2-CD2 3.46Å; W458-Y529 HydrophobicContact CZ2-CE2 4.18Å; W458-Y529 HydrophobicContact CZ2-CG 4.26Å; W458-Y529 HydrophobicContact CZ3-CD2 4.46Å
459	D	84.9	Confident	86	Confident	165 Å²	165	57 Å²	57	88%	0.882	29%	0.29	S	S	*	.			trans	-116.7	75.3	-178.9	-172.6	28.6	0	0	0	108.6
460	P	83.3	Confident	85.1	Confident	32 Å²	32	59.3 Å²	59.3	21%	0.208	30%	0.3	C	S	.	.			trans	-76.7	133.7	-176.5	33.6	-36.9	0	0	0	110.4	W458 P462 L465	W458-P460 VanDerWaalsContact C-CD 3.42Å; W458-P460 HydrophobicContact CD2-CB 4.44Å; W458-P460 HydrophobicContact CD2-CG 3.94Å; W458-P460 HydrophobicContact CE3-CG 4.03Å; W458-P460 HydrophobicContact CH2-CB 4.25Å; W458-P460 HydrophobicContact CH2-CG 3.68Å; W458-P460 HydrophobicContact CZ2-CB 3.68Å; W458-P460 HydrophobicContact CZ2-CG 3.59Å; W458-P460 HydrophobicContact CZ3-CG 3.91Å; W458-P460 VanDerWaalsContact O-CD 3.26Å; W458-P460 WeakPolarHBondContact O-CD 3.17Å; P460-P462 WeakPolarHBondContact O-CD 3.29Å; P460-P462 VanDerWaalsContact O-N 3.08Å; P460-L465 HydrophobicContact CB-CD1 3.69Å; P460-L465 HydrophobicContact CB-CD2 4.48Å; P460-L465 HydrophobicContact CB-CG 4.09Å; P460-L465 HydrophobicContact CG-CD1 3.8Å
461	D	82	Confident	84.3	Confident	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.292	S	S	.	.			trans	-58.9	112.4	173.3	-178.9	-27.6	0	0	0	110.6	Y463 K464 L465	D461-Y463 PolarHBondContact O-N 3.31Å; D461-Y463 VanDerWaalsContact O-N 3.16Å; D461-Y463 VanDerWaalsContact OD1-CB 3.31Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.4Å; D461-Y463 PolarHBondContact OD1-N 3.45Å; D461-K464 HydrophobicContact CB-CB 4.04Å; D461-K464 HydrophobicContact CB-CD 3.95Å; D461-K464 HydrophobicContact CB-CG 3.83Å; D461-K464 PolarHBondContact O-N 2.78Å; D461-K464 PolarHBondContact OD1-N 2.93Å; D461-K464 IonicContact OD2-NZ 2.65Å; D461-K464 PolarHBondContact OD2-NZ 3.39Å; D461-L465 PolarHBondContact O-N 2.86Å; D461-L465 VanDerWaalsContact O-N 3.11Å
462	P	78.6	Confident	83.5	Confident	21 Å²	21	55.4 Å²	55.4	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-30.4	-175.3	-28	38.4	0	0	0	113.1	P460 A466 Y519 F522 D523	P460-P462 WeakPolarHBondContact O-CD 3.29Å; P460-P462 VanDerWaalsContact O-N 3.08Å; P462-A466 WeakPolarHBondContact O-CB 3.27Å; P462-A466 PolarHBondContact O-N 2.73Å; P462-A466 VanDerWaalsContact O-N 3.1Å; P462-Y519 HydrophobicContact CB-CD2 3.92Å; P462-Y519 HydrophobicContact CB-CE2 3.76Å; P462-Y519 HydrophobicContact CG-CE2 4.48Å; P462-F522 HydrophobicContact CB-CB 3.78Å; P462-F522 HydrophobicContact CG-CB 4.44Å; P462-D523 HydrophobicContact CB-CB 4.38Å; P462-D523 HydrophobicContact CG-CB 4.29Å
463	Y	75.5	Confident	82.7	Confident	63 Å²	63	53.1 Å²	53.1	25%	0.247	27%	0.268	C	S	.	.	H	α-helix	trans	-71.6	-37.8	176.8	176.2	-101.3	0	0	0	111.6	D461 L467 I511	D461-Y463 PolarHBondContact O-N 3.31Å; D461-Y463 VanDerWaalsContact O-N 3.16Å; D461-Y463 VanDerWaalsContact OD1-CB 3.31Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.4Å; D461-Y463 PolarHBondContact OD1-N 3.45Å; Y463-L467 HydrophobicContact CE1-CD2 4.38Å; Y463-L467 VanDerWaalsContact O-CB 3.28Å; Y463-L467 WeakPolarHBondContact O-CB 3.46Å; Y463-L467 PolarHBondContact O-N 2.81Å; Y463-I511 HydrophobicContact CE2-CG2 3.64Å
464	K	80.2	Confident	81.9	Confident	133 Å²	133	50.1 Å²	50.1	58%	0.578	25%	0.252	S	S	*	.	H	α-helix	trans	-67.6	-41.3	175.4	-66.1	-173.3	-170.9	88.4	0	112	D461 L467 Y468	D461-K464 HydrophobicContact CB-CB 4.04Å; D461-K464 HydrophobicContact CB-CD 3.95Å; D461-K464 HydrophobicContact CB-CG 3.83Å; D461-K464 PolarHBondContact O-N 2.78Å; D461-K464 PolarHBondContact OD1-N 2.93Å; D461-K464 IonicContact OD2-NZ 2.65Å; D461-K464 PolarHBondContact OD2-NZ 3.39Å; K464-L467 PolarHBondContact O-N 2.71Å; K464-Y468 WeakPolarHBondContact O-CB 3.39Å; K464-Y468 PolarHBondContact O-N 2.93Å
465	L	79.9	Confident	81.1	Confident	34 Å²	34	50.9 Å²	50.9	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-43.1	175.8	-68.8	-175.3	0	0	0	112.1	W458 P460 D461 Y468 T469 F522	W458-L465 HydrophobicContact CH2-CD1 4.27Å; W458-L465 HydrophobicContact CZ2-CD1 4.43Å; P460-L465 HydrophobicContact CB-CD1 3.69Å; P460-L465 HydrophobicContact CB-CD2 4.48Å; P460-L465 HydrophobicContact CB-CG 4.09Å; P460-L465 HydrophobicContact CG-CD1 3.8Å; D461-L465 PolarHBondContact O-N 2.86Å; D461-L465 VanDerWaalsContact O-N 3.11Å; L465-Y468 PolarHBondContact O-N 2.83Å; L465-T469 WeakPolarHBondContact O-CB 3.45Å; L465-T469 PolarHBondContact O-N 3.34Å; L465-T469 PolarHBondContact O-OG1 2.94Å; L465-F522 HydrophobicContact CB-CD1 4.23Å; L465-F522 HydrophobicContact CB-CD2 3.59Å; L465-F522 HydrophobicContact CB-CE1 4.19Å; L465-F522 HydrophobicContact CB-CE2 3.53Å; L465-F522 HydrophobicContact CB-CG 3.94Å; L465-F522 HydrophobicContact CB-CZ 3.83Å; L465-F522 HydrophobicContact CD1-CB 4.33Å; L465-F522 HydrophobicContact CD1-CD1 3.58Å; L465-F522 HydrophobicContact CD1-CD2 4.36Å; L465-F522 HydrophobicContact CD1-CE1 3.88Å; L465-F522 HydrophobicContact CD1-CG 3.84Å; L465-F522 HydrophobicContact CD1-CZ 4.37Å
466	A	76.2	Confident	80.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-40.9	175.4	0	0	0	0	0	112.4	P462 K470 F515 D518 F522	P462-A466 WeakPolarHBondContact O-CB 3.27Å; P462-A466 PolarHBondContact O-N 2.73Å; P462-A466 VanDerWaalsContact O-N 3.1Å; A466-K470 PolarHBondContact O-N 2.86Å; A466-F515 HydrophobicContact CB-CD1 4.13Å; A466-D518 HydrophobicContact CB-CB 4.25Å; A466-F522 HydrophobicContact CB-CD2 4.47Å; A466-F522 HydrophobicContact CB-CE2 4.48Å
467	L	76.5	Confident	79.6	Confident	42 Å²	42	54.8 Å²	54.8	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-44.8	176.4	-177.8	62	0	0	0	112	Y463 K464 K470 G471 F515	Y463-L467 HydrophobicContact CE1-CD2 4.38Å; Y463-L467 VanDerWaalsContact O-CB 3.28Å; Y463-L467 WeakPolarHBondContact O-CB 3.46Å; Y463-L467 PolarHBondContact O-N 2.81Å; K464-L467 PolarHBondContact O-N 2.71Å; L467-K470 PolarHBondContact O-N 3.29Å; L467-G471 PolarHBondContact O-N 2.82Å; L467-F515 HydrophobicContact CD1-CZ 4.19Å
468	Y	78.5	Confident	79	Confident	110 Å²	110	55.3 Å²	55.3	43%	0.431	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175.7	177.7	-95.2	0	0	0	111.3	H212 K464 L465 K470 G471 Y472	H212-Y468 AromaticContact NE2-CE1 3.61Å; K464-Y468 WeakPolarHBondContact O-CB 3.39Å; K464-Y468 PolarHBondContact O-N 2.93Å; L465-Y468 PolarHBondContact O-N 2.83Å; Y468-K470 VanDerWaalsContact C-N 3.32Å; Y468-K470 PolarHBondContact O-N 2.8Å; Y468-G471 PolarHBondContact O-N 3.31Å; Y468-Y472 PolarHBondContact O-N 3.39Å
469	T	77.2	Confident	78.6	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-43.9	177.6	-49.7	0	0	0	0	111.2	Y211 L465 R473	Y211-T469 HydrophobicContact CE1-CG2 3.92Å; L465-T469 WeakPolarHBondContact O-CB 3.45Å; L465-T469 PolarHBondContact O-N 3.34Å; L465-T469 PolarHBondContact O-OG1 2.94Å; T469-R473 VanDerWaalsContact O-CG 3.31Å; T469-R473 WeakPolarHBondContact O-CG 3.23Å; T469-R473 PolarHBondContact O-N 3.29Å
470	K	75.3	Confident	78.1	Confident	73 Å²	73	54.9 Å²	54.9	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-45.4	176.1	-173.2	-177.3	-179.5	-122.5	0	111.8	A466 L467 Y468 Y472 R473 H474 N494 F515	A466-K470 PolarHBondContact O-N 2.86Å; L467-K470 PolarHBondContact O-N 3.29Å; Y468-K470 VanDerWaalsContact C-N 3.32Å; Y468-K470 PolarHBondContact O-N 2.8Å; K470-Y472 VanDerWaalsContact C-N 3.34Å; K470-Y472 PolarHBondContact O-N 2.95Å; K470-R473 WeakPolarHBondContact O-CB 3.3Å; K470-R473 PolarHBondContact O-N 3.05Å; K470-H474 VanDerWaalsContact CE-NE2 3.34Å; K470-H474 WeakPolarHBondContact CE-NE2 2.79Å; K470-H474 PolarHBondContact O-CD2 3.41Å; K470-H474 PolarHBondContact O-N 3.03Å; K470-N494 WeakPolarHBondContact CD-OD1 3.22Å; K470-N494 WeakPolarHBondContact CE-OD1 3.32Å; K470-N494 PolarHBondContact NZ-ND2 3.04Å; K470-N494 PolarHBondContact NZ-OD1 3.28Å; K470-F515 HydrophobicContact CB-CE1 3.82Å; K470-F515 HydrophobicContact CB-CZ 4.49Å; K470-F515 HydrophobicContact CD-CE1 3.45Å; K470-F515 VanDerWaalsContact CD-CE1 3.45Å; K470-F515 HydrophobicContact CD-CZ 3.5Å; K470-F515 VanDerWaalsContact CD-CZ 3.5Å; K470-F515 HydrophobicContact CG-CE1 4.23Å
471	G	77.8	Confident	78	Confident	22 Å²	22	57.8 Å²	57.8	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-48.9	177	0	0	0	0	0	111.7	L467 Y468 R473 H474 V475	L467-G471 PolarHBondContact O-N 2.82Å; Y468-G471 PolarHBondContact O-N 3.31Å; G471-R473 PolarHBondContact O-N 3.17Å; G471-H474 PolarHBondContact O-N 2.66Å; G471-V475 PolarHBondContact O-N 3.41Å; G471-V475 VanDerWaalsContact O-N 3.08Å
472	Y	78.1	Confident	77.6	Confident	37 Å²	37	57.9 Å²	57.9	15%	0.145	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-48.9	174.2	177.5	-99.4	0	0	0	112.3	V223 E225 Y468 K470 H474 V475 D476	V223-Y472 HydrophobicContact CB-CD2 4.1Å; V223-Y472 HydrophobicContact CB-CE2 3.42Å; V223-Y472 VanDerWaalsContact CB-CE2 3.42Å; V223-Y472 HydrophobicContact CG1-CD1 4.31Å; V223-Y472 HydrophobicContact CG1-CD2 3.76Å; V223-Y472 HydrophobicContact CG1-CE1 3.98Å; V223-Y472 HydrophobicContact CG1-CE2 3.4Å; V223-Y472 VanDerWaalsContact CG1-CE2 3.4Å; V223-Y472 HydrophobicContact CG1-CG 4.2Å; V223-Y472 HydrophobicContact CG2-CD2 4.08Å; V223-Y472 HydrophobicContact CG2-CE2 3.78Å; V223-Y472 PolarHBondContact O-OH 2.74Å; E225-Y472 HydrophobicContact CB-CE1 4.43Å; Y468-Y472 PolarHBondContact O-N 3.39Å; K470-Y472 VanDerWaalsContact C-N 3.34Å; K470-Y472 PolarHBondContact O-N 2.95Å; Y472-H474 PolarHBondContact O-N 2.97Å; Y472-V475 PolarHBondContact O-N 3.2Å; Y472-D476 HydrophobicContact CE1-CB 4.16Å; Y472-D476 WeakPolarHBondContact O-CB 2.95Å; Y472-D476 PolarHBondContact O-N 3.27Å
473	R	77.8	Confident	77.4	Confident	67 Å²	67	64.6 Å²	64.6	25%	0.253	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-16	175.3	-73	170.7	179.7	152	2.5	114.8	E225 T469 K470 G471 K477 D518	E225-R473 IonicContact OE1-CZ 2.83Å; E225-R473 IonicContact OE1-NE 3.41Å; E225-R473 PolarHBondContact OE1-NE 3.44Å; E225-R473 IonicContact OE1-NH2 2.94Å; E225-R473 PolarHBondContact OE1-NH2 2.89Å; E225-R473 VanDerWaalsContact OE2-CG 3.24Å; E225-R473 WeakPolarHBondContact OE2-CG 3.38Å; E225-R473 IonicContact OE2-CZ 2.61Å; E225-R473 IonicContact OE2-NE 2.67Å; E225-R473 PolarHBondContact OE2-NE 3.27Å; E225-R473 IonicContact OE2-NH2 3Å; T469-R473 VanDerWaalsContact O-CG 3.31Å; T469-R473 WeakPolarHBondContact O-CG 3.23Å; T469-R473 PolarHBondContact O-N 3.29Å; K470-R473 WeakPolarHBondContact O-CB 3.3Å; K470-R473 PolarHBondContact O-N 3.05Å; G471-R473 PolarHBondContact O-N 3.17Å; R473-K477 VanDerWaalsContact O-CD 3.28Å; R473-K477 WeakPolarHBondContact O-CD 3.32Å; R473-K477 VanDerWaalsContact O-CG 3.24Å; R473-K477 WeakPolarHBondContact O-CG 3.41Å; R473-D518 IonicContact CZ-OD2 2.71Å; R473-D518 IonicContact NH1-OD2 3.99Å; R473-D518 PolarHBondContact NH1-OD2 3.2Å; R473-D518 IonicContact NH2-OD2 2.63Å
474	H	77.4	Confident	77.5	Confident	13 Å²	13	65.3 Å²	65.3	6%	0.06	32%	0.322	C	S	.	.	H	α-helix	trans	-96.8	-30.6	172.2	-67.9	-77.2	0	0	0	112.8	K470 G471 Y472 F478 E490 L491 N494	K470-H474 VanDerWaalsContact CE-NE2 3.34Å; K470-H474 WeakPolarHBondContact CE-NE2 2.79Å; K470-H474 PolarHBondContact O-CD2 3.41Å; K470-H474 PolarHBondContact O-N 3.03Å; G471-H474 PolarHBondContact O-N 2.66Å; Y472-H474 PolarHBondContact O-N 2.97Å; H474-F478 WeakPolarHBondContact O-CB 3.25Å; H474-F478 PolarHBondContact O-N 3.21Å; H474-E490 IonicContact CE1-OE2 3.69Å; H474-E490 PolarHBondContact CE1-OE2 2.84Å; H474-E490 IonicContact ND1-OE2 3.78Å; H474-E490 PolarHBondContact ND1-OE2 2.87Å; H474-L491 HydrophobicContact CB-CB 4.38Å; H474-L491 HydrophobicContact CB-CD1 4.01Å; H474-N494 PolarHBondContact CD2-ND2 3.28Å; H474-N494 PolarHBondContact NE2-ND2 2.94Å
475	V	78.9	Confident	77.3	Confident	51 Å²	51	67.8 Å²	67.8	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-48.2	170.3	174.9	0	0	0	0	110.5	G471 Y472 F478 L479 L491	G471-V475 PolarHBondContact O-N 3.41Å; G471-V475 VanDerWaalsContact O-N 3.08Å; Y472-V475 PolarHBondContact O-N 3.2Å; V475-F478 CarbonylContact O-C 3.6Å; V475-F478 WeakPolarHBondContact O-CA 3.12Å; V475-F478 WeakPolarHBondContact O-CB 3.27Å; V475-F478 PolarHBondContact O-N 3.34Å; V475-L479 HydrophobicContact CG1-CD1 3.91Å; V475-L479 HydrophobicContact CG1-CG 4.25Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.35Å; V475-L491 HydrophobicContact CG2-CD1 3.77Å
476	D	76.8	Confident	77.4	Confident	51 Å²	51	72 Å²	72	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-53.9	-53.5	176.7	163.7	57	0	0	0	112.6	Y472 F478 L479 N480	Y472-D476 HydrophobicContact CE1-CB 4.16Å; Y472-D476 WeakPolarHBondContact O-CB 2.95Å; Y472-D476 PolarHBondContact O-N 3.27Å; D476-F478 PolarHBondContact O-N 3.19Å; D476-L479 PolarHBondContact O-N 2.97Å; D476-N480 WeakPolarHBondContact O-CB 2.82Å; D476-N480 PolarHBondContact O-N 2.86Å; D476-N480 PolarHBondContact O-ND2 3.19Å; D476-N480 PolarHBondContact OD1-ND2 2.94Å
477	K	78.8	Confident	77.5	Confident	73 Å²	73	72.7 Å²	72.7	32%	0.317	35%	0.347	S	S	.	.	H	α-helix	trans	-53.4	-40.7	172.1	-73.7	171.6	-175.2	166.9	0	113	R473 E481 H487 E490	R473-K477 VanDerWaalsContact O-CD 3.28Å; R473-K477 WeakPolarHBondContact O-CD 3.32Å; R473-K477 VanDerWaalsContact O-CG 3.24Å; R473-K477 WeakPolarHBondContact O-CG 3.41Å; K477-E481 PolarHBondContact O-N 2.83Å; K477-H487 HydrophobicContact CB-CB 4.49Å; K477-H487 PolarHBondContact O-CD2 3Å; K477-E490 IonicContact NZ-OE2 2.78Å; K477-E490 PolarHBondContact NZ-OE2 3.3Å
478	F	78.6	Confident	77.4	Confident	67 Å²	67	73.7 Å²	73.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-72.7	-36.2	-178.6	170.7	-105.2	0	0	0	112.2	H474 V475 D476 P482 H487 I488 L491	H474-F478 WeakPolarHBondContact O-CB 3.25Å; H474-F478 PolarHBondContact O-N 3.21Å; V475-F478 CarbonylContact O-C 3.6Å; V475-F478 WeakPolarHBondContact O-CA 3.12Å; V475-F478 WeakPolarHBondContact O-CB 3.27Å; V475-F478 PolarHBondContact O-N 3.34Å; D476-F478 PolarHBondContact O-N 3.19Å; F478-P482 HydrophobicContact CE2-CB 4.19Å; F478-P482 WeakPolarHBondContact O-CA 3.39Å; F478-P482 WeakPolarHBondContact O-CB 3.44Å; F478-P482 WeakPolarHBondContact O-CD 3.36Å; F478-P482 VanDerWaalsContact O-N 3.11Å; F478-H487 HydrophobicContact CB-CB 4.48Å; F478-I488 HydrophobicContact CD2-CG1 3.72Å; F478-I488 HydrophobicContact CE2-CD1 3.97Å; F478-I488 HydrophobicContact CE2-CG1 3.61Å; F478-L491 HydrophobicContact CB-CD2 4.31Å; F478-L491 HydrophobicContact CD1-CD2 4.28Å; F478-L491 HydrophobicContact CG-CD2 4.28Å
479	L	77.5	Confident	77.4	Confident	92 Å²	92	72 Å²	72	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-41.6	174.3	-68.3	173.8	0	0	0	111.5	V475 D476	V475-L479 HydrophobicContact CG1-CD1 3.91Å; V475-L479 HydrophobicContact CG1-CG 4.25Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.35Å; D476-L479 PolarHBondContact O-N 2.97Å
480	N	76	Confident	77.3	Confident	102 Å²	102	73.5 Å²	73.5	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-74.4	-35	178.3	-81	-66.8	0	0	0	113.7	D476	D476-N480 WeakPolarHBondContact O-CB 2.82Å; D476-N480 PolarHBondContact O-N 2.86Å; D476-N480 PolarHBondContact O-ND2 3.19Å; D476-N480 PolarHBondContact OD1-ND2 2.94Å
481	E	80.5	Confident	77.2	Confident	93 Å²	93	71 Å²	71	44%	0.435	35%	0.348	S	S	.	.			trans	-131.5	59.3	-178	-60.1	-168.1	110	0	0	113.7	K477 N483 Q484 H487	K477-E481 PolarHBondContact O-N 2.83Å; E481-N483 PolarHBondContact O-N 3.18Å; E481-Q484 HydrophobicContact CB-CG 4.28Å; E481-Q484 PolarHBondContact O-N 3.19Å; E481-Q484 PolarHBondContact OE1-NE2 3.14Å; E481-Q484 PolarHBondContact OE2-NE2 2.96Å; E481-H487 IonicContact OE2-CD2 3.13Å; E481-H487 IonicContact OE2-CE1 3.47Å; E481-H487 IonicContact OE2-NE2 2.73Å; E481-H487 PolarHBondContact OE2-NE2 2.79Å
482	P	73.3	Confident	77.2	Confident	66 Å²	66	74.3 Å²	74.3	43%	0.429	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.7	-170.6	24.6	-35.4	0	0	0	114.7	F478 Q484	F478-P482 HydrophobicContact CE2-CB 4.19Å; F478-P482 WeakPolarHBondContact O-CA 3.39Å; F478-P482 WeakPolarHBondContact O-CB 3.44Å; F478-P482 WeakPolarHBondContact O-CD 3.36Å; F478-P482 VanDerWaalsContact O-N 3.11Å; P482-Q484 VanDerWaalsContact C-N 3.33Å
483	N	73.8	Confident	77	Confident	162 Å²	162	79.4 Å²	79.4	87%	0.866	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.8	177.2	-66.7	-40.1	0	0	0	113.4	E481 R485	E481-N483 PolarHBondContact O-N 3.18Å; N483-R485 PolarHBondContact O-N 2.83Å
484	Q	77.5	Confident	76.7	Confident	78 Å²	78	76.8 Å²	76.8	36%	0.364	38%	0.376	S	S	.	.			trans	-85.3	100.1	178.8	-67.2	-157.4	38	0	0	111	E481 P482 K486 H487	E481-Q484 HydrophobicContact CB-CG 4.28Å; E481-Q484 PolarHBondContact O-N 3.19Å; E481-Q484 PolarHBondContact OE1-NE2 3.14Å; E481-Q484 PolarHBondContact OE2-NE2 2.96Å; P482-Q484 VanDerWaalsContact C-N 3.33Å; Q484-K486 PolarHBondContact O-N 2.78Å; Q484-H487 PolarHBondContact O-N 2.84Å
485	R	77.8	Confident	76.4	Confident	185 Å²	185	81.3 Å²	81.3	70%	0.698	40%	0.395	S	S	*	.	H	α-helix	trans	-51.2	-33.9	175.5	-169.5	-177.5	178	151.5	6.3	113	N483 H487 I488 D489	N483-R485 PolarHBondContact O-N 2.83Å; R485-H487 VanDerWaalsContact C-N 3.26Å; R485-H487 PolarHBondContact O-N 3.3Å; R485-I488 CarbonylContact O-C 3.56Å; R485-I488 WeakPolarHBondContact O-CA 3.35Å; R485-I488 WeakPolarHBondContact O-CB 2.94Å; R485-I488 PolarHBondContact O-N 2.53Å; R485-D489 IonicContact NE-OD1 3.56Å; R485-D489 IonicContact NE-OD2 2.76Å; R485-D489 VanDerWaalsContact O-CG 3.27Å; R485-D489 PolarHBondContact O-N 3.27Å
486	K	81.7	Confident	75.9	Confident	124 Å²	124	84.4 Å²	84.4	54%	0.539	41%	0.41	S	S	.	.	H	α-helix	trans	-54.8	-36.9	174.9	-177.8	174.1	177.4	-69.4	0	113.4	Q484 E490	Q484-K486 PolarHBondContact O-N 2.78Å; K486-E490 IonicContact NZ-OE1 3.75Å; K486-E490 PolarHBondContact NZ-OE1 2.67Å; K486-E490 WeakPolarHBondContact O-CB 3.25Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.78Å
487	H	78.2	Confident	75.4	Confident	13 Å²	13	84.3 Å²	84.3	6%	0.06	42%	0.416	C	S	.	.	H	α-helix	trans	-73.5	-33.1	176.7	-59.8	-21.4	0	0	0	111.7	K477 F478 E481 Q484 R485 L491	K477-H487 HydrophobicContact CB-CB 4.49Å; K477-H487 PolarHBondContact O-CD2 3Å; F478-H487 HydrophobicContact CB-CB 4.48Å; E481-H487 IonicContact OE2-CD2 3.13Å; E481-H487 IonicContact OE2-CE1 3.47Å; E481-H487 IonicContact OE2-NE2 2.73Å; E481-H487 PolarHBondContact OE2-NE2 2.79Å; Q484-H487 PolarHBondContact O-N 2.84Å; R485-H487 VanDerWaalsContact C-N 3.26Å; R485-H487 PolarHBondContact O-N 3.3Å; H487-L491 WeakPolarHBondContact O-CB 3.36Å; H487-L491 PolarHBondContact O-N 2.91Å
488	I	74.2	Confident	74.7	Confident	64 Å²	64	83.6 Å²	83.6	33%	0.328	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-47.3	172.3	-54.9	175.2	0	0	0	110	F478 R485 L491 L492	F478-I488 HydrophobicContact CD2-CG1 3.72Å; F478-I488 HydrophobicContact CE2-CD1 3.97Å; F478-I488 HydrophobicContact CE2-CG1 3.61Å; R485-I488 CarbonylContact O-C 3.56Å; R485-I488 WeakPolarHBondContact O-CA 3.35Å; R485-I488 WeakPolarHBondContact O-CB 2.94Å; R485-I488 PolarHBondContact O-N 2.53Å; I488-L491 PolarHBondContact O-N 3.28Å; I488-L492 HydrophobicContact CG2-CD1 4.03Å; I488-L492 HydrophobicContact CG2-CG 4.43Å; I488-L492 WeakPolarHBondContact O-CB 3.49Å; I488-L492 VanDerWaalsContact O-CG 3.31Å; I488-L492 WeakPolarHBondContact O-CG 3.26Å; I488-L492 PolarHBondContact O-N 3Å
489	D	78.6	Confident	74	Confident	73 Å²	73	86.4 Å²	86.4	39%	0.39	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-45	178.4	-57.6	-35.4	0	0	0	110.3	R485 L491 L492 E493	R485-D489 IonicContact NE-OD1 3.56Å; R485-D489 IonicContact NE-OD2 2.76Å; R485-D489 VanDerWaalsContact O-CG 3.27Å; R485-D489 PolarHBondContact O-N 3.27Å; D489-L491 PolarHBondContact O-N 2.86Å; D489-L492 PolarHBondContact O-N 3.03Å; D489-E493 PolarHBondContact O-N 3.29Å
490	E	74.6	Confident	73.2	Confident	37 Å²	37	85 Å²	85	17%	0.173	43%	0.43	C	S	.	.	H	α-helix	trans	-58.7	-42.5	171.7	-82.2	-179	-154.6	0	0	112.6	H474 K477 K486 E493 N494	H474-E490 IonicContact CE1-OE2 3.69Å; H474-E490 PolarHBondContact CE1-OE2 2.84Å; H474-E490 IonicContact ND1-OE2 3.78Å; H474-E490 PolarHBondContact ND1-OE2 2.87Å; K477-E490 IonicContact NZ-OE2 2.78Å; K477-E490 PolarHBondContact NZ-OE2 3.3Å; K486-E490 IonicContact NZ-OE1 3.75Å; K486-E490 PolarHBondContact NZ-OE1 2.67Å; K486-E490 WeakPolarHBondContact O-CB 3.25Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.78Å; E490-E493 PolarHBondContact O-N 3.17Å; E490-N494 PolarHBondContact O-N 2.93Å; E490-N494 PolarHBondContact O-ND2 3.23Å
491	L	74.2	Confident	72.3	Confident	21 Å²	21	83.2 Å²	83.2	11%	0.11	43%	0.425	C	S	.	.	H	α-helix	trans	-67.7	-40.8	-179.6	179.4	60.8	0	0	0	111.4	H474 V475 F478 H487 I488 D489 N494 F495	H474-L491 HydrophobicContact CB-CB 4.38Å; H474-L491 HydrophobicContact CB-CD1 4.01Å; V475-L491 HydrophobicContact CG2-CD1 3.77Å; F478-L491 HydrophobicContact CB-CD2 4.31Å; F478-L491 HydrophobicContact CD1-CD2 4.28Å; F478-L491 HydrophobicContact CG-CD2 4.28Å; H487-L491 WeakPolarHBondContact O-CB 3.36Å; H487-L491 PolarHBondContact O-N 2.91Å; I488-L491 PolarHBondContact O-N 3.28Å; D489-L491 PolarHBondContact O-N 2.86Å; L491-N494 PolarHBondContact O-N 2.89Å; L491-F495 HydrophobicContact CD1-CD2 4.18Å; L491-F495 HydrophobicContact CD1-CE2 3.65Å; L491-F495 HydrophobicContact CD1-CZ 4.1Å; L491-F495 HydrophobicContact CD2-CE2 4.08Å; L491-F495 HydrophobicContact CG-CD2 3.98Å; L491-F495 HydrophobicContact CG-CE2 3.58Å; L491-F495 HydrophobicContact CG-CZ 4.47Å; L491-F495 WeakPolarHBondContact O-CD2 3.45Å; L491-F495 PolarHBondContact O-N 3.35Å
492	L	76.4	Confident	70.9	Confident	91 Å²	91	85.8 Å²	85.8	48%	0.476	44%	0.44	S	S	.	.	H	α-helix	trans	-63.6	-43.4	174.5	-71.8	170.9	0	0	0	112.1	I488 D489 N494 F495 D496	I488-L492 HydrophobicContact CG2-CD1 4.03Å; I488-L492 HydrophobicContact CG2-CG 4.43Å; I488-L492 WeakPolarHBondContact O-CB 3.49Å; I488-L492 VanDerWaalsContact O-CG 3.31Å; I488-L492 WeakPolarHBondContact O-CG 3.26Å; I488-L492 PolarHBondContact O-N 3Å; D489-L492 PolarHBondContact O-N 3.03Å; L492-N494 PolarHBondContact O-N 2.86Å; L492-F495 PolarHBondContact O-N 3.32Å; L492-F495 VanDerWaalsContact O-N 3.08Å; L492-D496 PolarHBondContact O-N 2.97Å
493	E	74.6	Confident	69.8	Low	144 Å²	144	90.6 Å²	90.6	67%	0.673	45%	0.454	S	S	*	.	H	α-helix	trans	-57.3	-35.9	174.1	-77.1	-171	163.3	0	0	112.5	D489 E490 A497	D489-E493 PolarHBondContact O-N 3.29Å; E490-E493 PolarHBondContact O-N 3.17Å; E493-A497 VanDerWaalsContact O-CB 3.24Å; E493-A497 WeakPolarHBondContact O-CB 3.2Å; E493-A497 PolarHBondContact O-N 2.97Å; E493-A497 VanDerWaalsContact O-N 3.09Å
494	N	70.9	Confident	68.4	Low	12 Å²	12	84 Å²	84	6%	0.064	42%	0.42	C	S	.	.	H	α-helix	trans	-73.9	-36.1	175.7	-76.6	-86.7	0	0	0	112.5	K470 H474 E490 L491 L492 S498	K470-N494 WeakPolarHBondContact CD-OD1 3.22Å; K470-N494 WeakPolarHBondContact CE-OD1 3.32Å; K470-N494 PolarHBondContact NZ-ND2 3.04Å; K470-N494 PolarHBondContact NZ-OD1 3.28Å; H474-N494 PolarHBondContact CD2-ND2 3.28Å; H474-N494 PolarHBondContact NE2-ND2 2.94Å; E490-N494 PolarHBondContact O-N 2.93Å; E490-N494 PolarHBondContact O-ND2 3.23Å; L491-N494 PolarHBondContact O-N 2.89Å; L492-N494 PolarHBondContact O-N 2.86Å; N494-S498 WeakPolarHBondContact O-CB 3.46Å; N494-S498 PolarHBondContact O-N 3.25Å; N494-S498 VanDerWaalsContact O-N 3.09Å; N494-S498 PolarHBondContact O-OG 2.95Å
495	F	71.1	Confident	67	Low	108 Å²	108	89.2 Å²	89.2	47%	0.474	44%	0.442	S	S	.	.	H	α-helix	trans	-65.4	-48.9	173.9	-77.4	-53.9	0	0	0	111.3	L491 L492 A497 S498 I499	L491-F495 HydrophobicContact CD1-CD2 4.18Å; L491-F495 HydrophobicContact CD1-CE2 3.65Å; L491-F495 HydrophobicContact CD1-CZ 4.1Å; L491-F495 HydrophobicContact CD2-CE2 4.08Å; L491-F495 HydrophobicContact CG-CD2 3.98Å; L491-F495 HydrophobicContact CG-CE2 3.58Å; L491-F495 HydrophobicContact CG-CZ 4.47Å; L491-F495 WeakPolarHBondContact O-CD2 3.45Å; L491-F495 PolarHBondContact O-N 3.35Å; L492-F495 PolarHBondContact O-N 3.32Å; L492-F495 VanDerWaalsContact O-N 3.08Å; F495-A497 VanDerWaalsContact C-N 3.29Å; F495-A497 PolarHBondContact O-N 3.17Å; F495-S498 PolarHBondContact O-N 2.83Å; F495-S498 PolarHBondContact O-OG 3.2Å; F495-I499 WeakPolarHBondContact O-CG1 3.01Å; F495-I499 PolarHBondContact O-N 2.84Å; F495-I499 VanDerWaalsContact O-N 3.08Å
496	D	69.4	Low	65.6	Low	116 Å²	116	84.9 Å²	84.9	62%	0.62	44%	0.44	S	S	*	.	H	α-helix	trans	-57.9	-41.2	176.2	-79.2	-17	0	0	0	111.9	L492 S498 I499	L492-D496 PolarHBondContact O-N 2.97Å; D496-S498 VanDerWaalsContact C-N 3.26Å; D496-S498 PolarHBondContact O-N 2.96Å; D496-I499 PolarHBondContact O-N 2.79Å
497	A	64.8	Low	64	Low	49 Å²	49	84.1 Å²	84.1	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-67.1	-22.1	175.1	0	0	0	0	0	114.3	E493 F495	E493-A497 VanDerWaalsContact O-CB 3.24Å; E493-A497 WeakPolarHBondContact O-CB 3.2Å; E493-A497 PolarHBondContact O-N 2.97Å; E493-A497 VanDerWaalsContact O-N 3.09Å; F495-A497 VanDerWaalsContact C-N 3.29Å; F495-A497 PolarHBondContact O-N 3.17Å
498	S	64.3	Low	62.6	Low	58 Å²	58	86.2 Å²	86.2	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-88.5	-28.6	177.9	69.8	0	0	0	0	113.6	N494 F495 D496	N494-S498 WeakPolarHBondContact O-CB 3.46Å; N494-S498 PolarHBondContact O-N 3.25Å; N494-S498 VanDerWaalsContact O-N 3.09Å; N494-S498 PolarHBondContact O-OG 2.95Å; F495-S498 PolarHBondContact O-N 2.83Å; F495-S498 PolarHBondContact O-OG 3.2Å; D496-S498 VanDerWaalsContact C-N 3.26Å; D496-S498 PolarHBondContact O-N 2.96Å
499	I	65.2	Low	61.4	Low	126 Å²	126	87.5 Å²	87.5	65%	0.646	46%	0.46	S	S	*	.	H	α-helix	trans	-71.7	-40.9	-179.2	-69.3	163.5	0	0	0	112	F495 D496	F495-I499 WeakPolarHBondContact O-CG1 3.01Å; F495-I499 PolarHBondContact O-N 2.84Å; F495-I499 VanDerWaalsContact O-N 3.08Å; D496-I499 PolarHBondContact O-N 2.79Å
500	D	59.5	Low	60	Low	63 Å²	63	87.6 Å²	87.6	34%	0.337	46%	0.464	S	S	.	.			trans	-132.9	56.9	-166.3	-141.5	-15.8	0	0	0	113.8	I502 K503	D500-I502 PolarHBondContact O-N 2.84Å; D500-K503 HydrophobicContact CB-CD 4.28Å; D500-K503 PolarHBondContact O-N 3.35Å; D500-K503 VanDerWaalsContact OD2-CD 3.28Å; D500-K503 WeakPolarHBondContact OD2-CD 3.36Å; D500-K503 WeakPolarHBondContact OD2-CE 3.42Å; D500-K503 IonicContact OD2-NZ 3.49Å; D500-K503 PolarHBondContact OD2-NZ 2.71Å
501	P	56.7	Low	58.8	Low	65 Å²	65	87.2 Å²	87.2	42%	0.422	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-6.3	-173.6	27.5	-37	0	0	0	114.7
502	I	51.8	Low	57.7	Low	146 Å²	146	94.5 Å²	94.5	75%	0.749	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-23.6	-179.9	-63.2	174.5	0	0	0	111.6	D500 S504	D500-I502 PolarHBondContact O-N 2.84Å; I502-S504 PolarHBondContact O-N 2.74Å; I502-S504 VanDerWaalsContact O-N 3.16Å
503	K	50.9	Low	56.5	Low	168 Å²	168	94.8 Å²	94.8	73%	0.73	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.7	-173.8	-110.7	176.8	-170.4	143.4	0	114.6	D500	D500-K503 HydrophobicContact CB-CD 4.28Å; D500-K503 PolarHBondContact O-N 3.35Å; D500-K503 VanDerWaalsContact OD2-CD 3.28Å; D500-K503 WeakPolarHBondContact OD2-CD 3.36Å; D500-K503 WeakPolarHBondContact OD2-CE 3.42Å; D500-K503 IonicContact OD2-NZ 3.49Å; D500-K503 PolarHBondContact OD2-NZ 2.71Å
504	S	44.5	Very low	55.5	Low	23 Å²	23	94.5 Å²	94.5	16%	0.161	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	63.4	-172.4	58.2	0	0	0	0	113	I502 S506 Q507 L508	I502-S504 PolarHBondContact O-N 2.74Å; I502-S504 VanDerWaalsContact O-N 3.16Å; S504-S506 PolarHBondContact O-N 2.74Å; S504-Q507 CarbonylContact O-C 3.59Å; S504-Q507 WeakPolarHBondContact O-CA 3.4Å; S504-Q507 PolarHBondContact O-N 3.3Å; S504-Q507 PolarHBondContact OG-OE1 3.22Å; S504-L508 PolarHBondContact O-N 2.89Å
505	K	48.3	Very low	54.8	Low	188 Å²	188	95 Å²	95	82%	0.817	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.9	171.4	-142.9	172.4	-170.7	174.9	0	114
506	S	47.2	Very low	54.2	Low	93 Å²	93	91.7 Å²	91.7	65%	0.65	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-24.4	171.7	50.4	0	0	0	0	115	S504 T509	S504-S506 PolarHBondContact O-N 2.74Å; S506-T509 PolarHBondContact O-OG1 2.84Å; S506-T509 VanDerWaalsContact O-OG1 3.07Å
507	Q	48.6	Very low	54	Low	109 Å²	109	91.5 Å²	91.5	51%	0.509	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.1	169.4	-66.9	174.9	-26.8	0	0	111.8	S504 T509 T510 I511	S504-Q507 CarbonylContact O-C 3.59Å; S504-Q507 WeakPolarHBondContact O-CA 3.4Å; S504-Q507 PolarHBondContact O-N 3.3Å; S504-Q507 PolarHBondContact OG-OE1 3.22Å; Q507-T509 PolarHBondContact O-N 3.34Å; Q507-T509 VanDerWaalsContact O-N 3.1Å; Q507-T510 CarbonylContact O-C 3.54Å; Q507-T510 WeakPolarHBondContact O-CA 3.32Å; Q507-T510 WeakPolarHBondContact O-CB 3.46Å; Q507-T510 PolarHBondContact O-N 3.26Å; Q507-I511 HydrophobicContact CB-CD1 4.35Å; Q507-I511 WeakPolarHBondContact O-CB 3.32Å; Q507-I511 WeakPolarHBondContact O-CG1 3.43Å; Q507-I511 PolarHBondContact O-N 2.93Å
508	L	48.1	Very low	53.9	Low	57 Å²	57	90.2 Å²	90.2	30%	0.298	47%	0.474	S	S	.	.	H	α-helix	trans	-55.4	-30.9	179.2	-150.9	87	0	0	0	112.9	S504 R512	S504-L508 PolarHBondContact O-N 2.89Å; L508-R512 WeakPolarHBondContact O-CB 3.44Å; L508-R512 VanDerWaalsContact O-CG 3.3Å; L508-R512 WeakPolarHBondContact O-CG 3.43Å; L508-R512 PolarHBondContact O-N 3.31Å
509	T	50.1	Low	53.7	Low	91 Å²	91	91.4 Å²	91.4	56%	0.558	47%	0.47	S	S	*	.	H	α-helix	trans	-71.4	-43.7	170	34.8	0	0	0	0	113	S506 Q507 I511 R512 T513	S506-T509 PolarHBondContact O-OG1 2.84Å; S506-T509 VanDerWaalsContact O-OG1 3.07Å; Q507-T509 PolarHBondContact O-N 3.34Å; Q507-T509 VanDerWaalsContact O-N 3.1Å; T509-I511 VanDerWaalsContact C-N 3.33Å; T509-R512 PolarHBondContact O-N 3.26Å; T509-T513 PolarHBondContact O-N 3.04Å; T509-T513 PolarHBondContact O-OG1 2.9Å
510	T	48.6	Very low	53.6	Low	75 Å²	75	91.8 Å²	91.8	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-42	176	-40.7	0	0	0	0	111.3	Q507 T513 L514	Q507-T510 CarbonylContact O-C 3.54Å; Q507-T510 WeakPolarHBondContact O-CA 3.32Å; Q507-T510 WeakPolarHBondContact O-CB 3.46Å; Q507-T510 PolarHBondContact O-N 3.26Å; T510-T513 WeakPolarHBondContact CA-OG1 3.49Å; T510-T513 PolarHBondContact O-N 3.05Å; T510-T513 PolarHBondContact O-OG1 3.28Å; T510-L514 HydrophobicContact CG2-CD1 4.34Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 VanDerWaalsContact O-CG 3.29Å; T510-L514 WeakPolarHBondContact O-CG 3.16Å; T510-L514 PolarHBondContact O-N 3.22Å
511	I	50	Low	53.9	Low	29 Å²	29	94 Å²	94	15%	0.149	47%	0.473	C	S	.	.	H	α-helix	trans	-55.8	-57.1	169.9	-77.2	169.7	0	0	0	109.2	Y463 Q507 T509 T513 L514 F515	Y463-I511 HydrophobicContact CE2-CG2 3.64Å; Q507-I511 HydrophobicContact CB-CD1 4.35Å; Q507-I511 WeakPolarHBondContact O-CB 3.32Å; Q507-I511 WeakPolarHBondContact O-CG1 3.43Å; Q507-I511 PolarHBondContact O-N 2.93Å; T509-I511 VanDerWaalsContact C-N 3.33Å; I511-T513 PolarHBondContact O-N 3.21Å; I511-T513 VanDerWaalsContact O-N 3.15Å; I511-L514 PolarHBondContact O-N 3.42Å; I511-F515 HydrophobicContact CB-CD2 4.38Å; I511-F515 HydrophobicContact CG2-CD2 3.66Å; I511-F515 HydrophobicContact CG2-CE2 3.84Å; I511-F515 WeakPolarHBondContact O-CD2 3.46Å; I511-F515 PolarHBondContact O-N 2.89Å
512	R	50.5	Low	54.4	Low	174 Å²	174	91.5 Å²	91.5	66%	0.657	46%	0.455	S	S	*	.	H	α-helix	trans	-55.7	-33.7	177.1	-79.3	173.2	173.3	-170.9	-4.7	113.8	L508 T509 S516	L508-R512 WeakPolarHBondContact O-CB 3.44Å; L508-R512 VanDerWaalsContact O-CG 3.3Å; L508-R512 WeakPolarHBondContact O-CG 3.43Å; L508-R512 PolarHBondContact O-N 3.31Å; T509-R512 PolarHBondContact O-N 3.26Å; R512-S516 WeakPolarHBondContact O-CA 3.49Å; R512-S516 WeakPolarHBondContact O-CB 3.32Å; R512-S516 PolarHBondContact O-N 3.29Å
513	T	52.6	Low	55.1	Low	97 Å²	97	89 Å²	89	60%	0.595	44%	0.443	S	S	*	.	H	α-helix	trans	-73.6	-39.8	173	47	0	0	0	0	113.2	T509 T510 I511 S516	T509-T513 PolarHBondContact O-N 3.04Å; T509-T513 PolarHBondContact O-OG1 2.9Å; T510-T513 WeakPolarHBondContact CA-OG1 3.49Å; T510-T513 PolarHBondContact O-N 3.05Å; T510-T513 PolarHBondContact O-OG1 3.28Å; I511-T513 PolarHBondContact O-N 3.21Å; I511-T513 VanDerWaalsContact O-N 3.15Å; T513-S516 WeakPolarHBondContact O-CB 3.36Å; T513-S516 PolarHBondContact O-N 3.13Å; T513-S516 PolarHBondContact O-OG 2.86Å
514	L	52.3	Low	56	Low	138 Å²	138	83.8 Å²	83.8	72%	0.723	42%	0.423	S	S	*	.	H	α-helix	trans	-66.1	-39.5	177.2	-74.4	165.4	0	0	0	112.6	T510 I511	T510-L514 HydrophobicContact CG2-CD1 4.34Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 VanDerWaalsContact O-CG 3.29Å; T510-L514 WeakPolarHBondContact O-CG 3.16Å; T510-L514 PolarHBondContact O-N 3.22Å; I511-L514 PolarHBondContact O-N 3.42Å
515	F	56.1	Low	57.3	Low	22 Å²	22	84.9 Å²	84.9	10%	0.096	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.3	179.1	-69.1	-76.5	0	0	0	113.7	A466 L467 K470 I511 N517 D518 Y519	A466-F515 HydrophobicContact CB-CD1 4.13Å; L467-F515 HydrophobicContact CD1-CZ 4.19Å; K470-F515 HydrophobicContact CB-CE1 3.82Å; K470-F515 HydrophobicContact CB-CZ 4.49Å; K470-F515 HydrophobicContact CD-CE1 3.45Å; K470-F515 VanDerWaalsContact CD-CE1 3.45Å; K470-F515 HydrophobicContact CD-CZ 3.5Å; K470-F515 VanDerWaalsContact CD-CZ 3.5Å; K470-F515 HydrophobicContact CG-CE1 4.23Å; I511-F515 HydrophobicContact CB-CD2 4.38Å; I511-F515 HydrophobicContact CG2-CD2 3.66Å; I511-F515 HydrophobicContact CG2-CE2 3.84Å; I511-F515 WeakPolarHBondContact O-CD2 3.46Å; I511-F515 PolarHBondContact O-N 2.89Å; F515-N517 VanDerWaalsContact C-N 3.35Å; F515-N517 PolarHBondContact O-N 3.14Å; F515-D518 PolarHBondContact O-N 3.34Å; F515-D518 VanDerWaalsContact O-N 3.16Å; F515-Y519 WeakPolarHBondContact O-CB 3.47Å; F515-Y519 PolarHBondContact O-N 3.03Å
516	S	58.9	Low	58.9	Low	39 Å²	39	76.4 Å²	76.4	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-51.7	-45.6	-168.7	53	0	0	0	0	114.4	R512 T513 Q520	R512-S516 WeakPolarHBondContact O-CA 3.49Å; R512-S516 WeakPolarHBondContact O-CB 3.32Å; R512-S516 PolarHBondContact O-N 3.29Å; T513-S516 WeakPolarHBondContact O-CB 3.36Å; T513-S516 PolarHBondContact O-N 3.13Å; T513-S516 PolarHBondContact O-OG 2.86Å; S516-Q520 VanDerWaalsContact O-CB 3.3Å; S516-Q520 WeakPolarHBondContact O-CB 3.4Å; S516-Q520 VanDerWaalsContact O-CG 3.25Å; S516-Q520 WeakPolarHBondContact O-CG 3.44Å; S516-Q520 PolarHBondContact O-N 3.27Å
517	N	64.6	Low	60.8	Low	111 Å²	111	72.3 Å²	72.3	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-66.4	-41.4	-179.1	-70.8	-15.5	0	0	0	113.7	F515 R521	F515-N517 VanDerWaalsContact C-N 3.35Å; F515-N517 PolarHBondContact O-N 3.14Å; N517-R521 VanDerWaalsContact O-CD 3.32Å; N517-R521 WeakPolarHBondContact O-CD 3.45Å; N517-R521 VanDerWaalsContact O-CG 3.3Å; N517-R521 WeakPolarHBondContact O-CG 3.4Å; N517-R521 PolarHBondContact O-N 3.37Å
518	D	63.7	Low	62.9	Low	23 Å²	23	67.1 Å²	67.1	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-82.3	-32.6	-178.9	-72.4	-14.3	0	0	0	111.2	A466 R473 F515 R521 F522	A466-D518 HydrophobicContact CB-CB 4.25Å; R473-D518 IonicContact CZ-OD2 2.71Å; R473-D518 IonicContact NH1-OD2 3.99Å; R473-D518 PolarHBondContact NH1-OD2 3.2Å; R473-D518 IonicContact NH2-OD2 2.63Å; F515-D518 PolarHBondContact O-N 3.34Å; F515-D518 VanDerWaalsContact O-N 3.16Å; D518-R521 PolarHBondContact O-N 2.89Å; D518-R521 IonicContact OD1-CZ 3.73Å; D518-R521 IonicContact OD1-NH1 2.67Å; D518-R521 PolarHBondContact OD1-NH1 2.82Å; D518-F522 WeakPolarHBondContact O-CD2 3.29Å; D518-F522 PolarHBondContact O-N 3.3Å
519	Y	60.1	Low	65	Low	83 Å²	83	65 Å²	65	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-52.5	168.7	178.2	-81.8	0	0	0	111.3	P462 F515 R521 F522 D523	P462-Y519 HydrophobicContact CB-CD2 3.92Å; P462-Y519 HydrophobicContact CB-CE2 3.76Å; P462-Y519 HydrophobicContact CG-CE2 4.48Å; F515-Y519 WeakPolarHBondContact O-CB 3.47Å; F515-Y519 PolarHBondContact O-N 3.03Å; Y519-R521 PolarHBondContact O-N 3.42Å; Y519-R521 VanDerWaalsContact O-N 3.13Å; Y519-F522 PolarHBondContact O-N 2.86Å; Y519-F522 VanDerWaalsContact O-N 3.14Å; Y519-D523 HydrophobicContact CD1-CB 4.19Å; Y519-D523 HydrophobicContact CE1-CB 3.71Å; Y519-D523 VanDerWaalsContact CE1-CG 3.43Å; Y519-D523 WeakPolarHBondContact CE1-OD2 3.44Å; Y519-D523 WeakPolarHBondContact O-CB 3.41Å; Y519-D523 PolarHBondContact O-N 2.88Å; Y519-D523 PolarHBondContact OH-OD1 3.29Å
520	Q	62.1	Low	67.2	Low	133 Å²	133	60.8 Å²	60.8	62%	0.621	31%	0.311	S	S	*	.	H	α-helix	trans	-64.1	-18.4	-178	-77.2	179.3	1.3	0	0	114	S516	S516-Q520 VanDerWaalsContact O-CB 3.3Å; S516-Q520 WeakPolarHBondContact O-CB 3.4Å; S516-Q520 VanDerWaalsContact O-CG 3.25Å; S516-Q520 WeakPolarHBondContact O-CG 3.44Å; S516-Q520 PolarHBondContact O-N 3.27Å
521	R	65.5	Low	69.4	Low	111 Å²	111	57.2 Å²	57.2	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-74	-52.9	171.5	-73.8	161.9	173.2	170	-10.6	110.5	N517 D518 Y519 D523 H527	N517-R521 VanDerWaalsContact O-CD 3.32Å; N517-R521 WeakPolarHBondContact O-CD 3.45Å; N517-R521 VanDerWaalsContact O-CG 3.3Å; N517-R521 WeakPolarHBondContact O-CG 3.4Å; N517-R521 PolarHBondContact O-N 3.37Å; D518-R521 PolarHBondContact O-N 2.89Å; D518-R521 IonicContact OD1-CZ 3.73Å; D518-R521 IonicContact OD1-NH1 2.67Å; D518-R521 PolarHBondContact OD1-NH1 2.82Å; Y519-R521 PolarHBondContact O-N 3.42Å; Y519-R521 VanDerWaalsContact O-N 3.13Å; R521-D523 VanDerWaalsContact C-N 3.35Å; R521-D523 PolarHBondContact O-N 3.44Å; R521-H527 VanDerWaalsContact C-CE1 3.43Å; R521-H527 PolarHBondContact O-CE1 2.99Å; R521-H527 PolarHBondContact O-ND1 3.01Å
522	F	67.6	Low	71.6	Confident	12 Å²	12	55.9 Å²	55.9	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-32.6	-178.5	-64.2	-54.9	0	0	0	113.3	Y211 L268 P462 L465 A466 D518 Y519 D524 H527	Y211-F522 HydrophobicContact CD1-CE1 4.24Å; Y211-F522 AromaticContact CD1-CZ 4Å; Y211-F522 HydrophobicContact CD1-CZ 4Å; Y211-F522 HydrophobicContact CE1-CE1 4.17Å; Y211-F522 HydrophobicContact CE1-CE2 4.41Å; Y211-F522 AromaticContact CE1-CZ 3.48Å; Y211-F522 HydrophobicContact CE1-CZ 3.48Å; Y211-F522 VanDerWaalsContact CE1-CZ 3.48Å; Y211-F522 AromaticContact CZ-CZ 3.84Å; L268-F522 HydrophobicContact CD2-CE1 4.04Å; P462-F522 HydrophobicContact CB-CB 3.78Å; P462-F522 HydrophobicContact CG-CB 4.44Å; L465-F522 HydrophobicContact CB-CD1 4.23Å; L465-F522 HydrophobicContact CB-CD2 3.59Å; L465-F522 HydrophobicContact CB-CE1 4.19Å; L465-F522 HydrophobicContact CB-CE2 3.53Å; L465-F522 HydrophobicContact CB-CG 3.94Å; L465-F522 HydrophobicContact CB-CZ 3.83Å; L465-F522 HydrophobicContact CD1-CB 4.33Å; L465-F522 HydrophobicContact CD1-CD1 3.58Å; L465-F522 HydrophobicContact CD1-CD2 4.36Å; L465-F522 HydrophobicContact CD1-CE1 3.88Å; L465-F522 HydrophobicContact CD1-CG 3.84Å; L465-F522 HydrophobicContact CD1-CZ 4.37Å; A466-F522 HydrophobicContact CB-CD2 4.47Å; A466-F522 HydrophobicContact CB-CE2 4.48Å; D518-F522 WeakPolarHBondContact O-CD2 3.29Å; D518-F522 PolarHBondContact O-N 3.3Å; Y519-F522 PolarHBondContact O-N 2.86Å; Y519-F522 VanDerWaalsContact O-N 3.14Å; F522-D524 PolarHBondContact O-N 3.09Å; F522-H527 AromaticContact CD1-CD2 3.7Å; F522-H527 AromaticContact CD1-CG 4Å; F522-H527 AromaticContact CD1-NE2 3.71Å; F522-H527 AromaticContact CE1-CD2 3.83Å; F522-H527 AromaticContact CE1-NE2 3.84Å
523	D	66.6	Low	73.8	Confident	92 Å²	92	49 Å²	49	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.6	-178.6	-158.5	54.5	0	0	0	114.2	P462 Y519 R521	P462-D523 HydrophobicContact CB-CB 4.38Å; P462-D523 HydrophobicContact CG-CB 4.29Å; Y519-D523 HydrophobicContact CD1-CB 4.19Å; Y519-D523 HydrophobicContact CE1-CB 3.71Å; Y519-D523 VanDerWaalsContact CE1-CG 3.43Å; Y519-D523 WeakPolarHBondContact CE1-OD2 3.44Å; Y519-D523 WeakPolarHBondContact O-CB 3.41Å; Y519-D523 PolarHBondContact O-N 2.88Å; Y519-D523 PolarHBondContact OH-OD1 3.29Å; R521-D523 VanDerWaalsContact C-N 3.35Å; R521-D523 PolarHBondContact O-N 3.44Å
524	D	70.6	Confident	75.8	Confident	59 Å²	59	45 Å²	45	32%	0.316	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.8	-174	99.2	-26.6	0	0	0	115.3	K276 F522 T526	K276-D524 IonicContact NZ-OD2 3.78Å; K276-D524 PolarHBondContact NZ-OD2 3.4Å; F522-D524 PolarHBondContact O-N 3.09Å; D524-T526 PolarHBondContact O-N 3.04Å; D524-T526 VanDerWaalsContact OD1-CB 3.23Å; D524-T526 WeakPolarHBondContact OD1-CB 3.39Å; D524-T526 VanDerWaalsContact OD1-CG2 3.25Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.22Å; D524-T526 PolarHBondContact OD1-N 2.87Å; D524-T526 PolarHBondContact OD1-OG1 2.79Å; D524-T526 WeakPolarHBondContact OD2-CG2 3.12Å; D524-T526 PolarHBondContact OD2-OG1 3.31Å
525	G	71.7	Confident	77.8	Confident	46 Å²	46	41.3 Å²	41.3	47%	0.474	21%	0.211	S	C	.	.	S	Bend	trans	71.5	2.7	176.3	0	0	0	0	0	115.8	H527	G525-H527 VanDerWaalsContact C-N 3.28Å; G525-H527 PolarHBondContact O-N 2.85Å
526	T	82.4	Confident	79.5	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.235	C	C	.	.			trans	-84.2	-1.2	-178.6	67.1	0	0	0	0	114.1	H270 L271 P273 D524	H270-T526 PolarHBondContact CD2-OG1 2.04Å; L271-T526 VanDerWaalsContact CB-O 3.25Å; L271-T526 WeakPolarHBondContact CB-O 3.4Å; L271-T526 PolarHBondContact N-O 3.21Å; L271-T526 VanDerWaalsContact N-O 3.1Å; L271-T526 WeakPolarHBondContact O-CB 3.5Å; L271-T526 PolarHBondContact O-OG1 2.91Å; L271-T526 VanDerWaalsContact O-OG1 3.13Å; P273-T526 HydrophobicContact CG-CG2 3.45Å; P273-T526 VanDerWaalsContact CG-CG2 3.45Å; D524-T526 PolarHBondContact O-N 3.04Å; D524-T526 VanDerWaalsContact OD1-CB 3.23Å; D524-T526 WeakPolarHBondContact OD1-CB 3.39Å; D524-T526 VanDerWaalsContact OD1-CG2 3.25Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.22Å; D524-T526 PolarHBondContact OD1-N 2.87Å; D524-T526 PolarHBondContact OD1-OG1 2.79Å; D524-T526 WeakPolarHBondContact OD2-CG2 3.12Å; D524-T526 PolarHBondContact OD2-OG1 3.31Å
527	H	86.7	Confident	81.1	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.1	178.3	-71.5	71.4	0	0	0	110.4	L268 A269 H270 G318 W458 R521 F522 G525	L268-H527 HydrophobicContact CD1-CB 4.11Å; A269-H527 WeakPolarHBondContact O-CA 3.13Å; H270-H527 AromaticContact CD2-CE1 3.49Å; H270-H527 PolarHBondContact CD2-CE1 3.4Å; H270-H527 VanDerWaalsContact CD2-CE1 3.49Å; H270-H527 AromaticContact CD2-NE2 3.81Å; H270-H527 AromaticContact CG-NE2 3.85Å; G318-H527 WeakPolarHBondContact CA-O 3.34Å; G318-H527 PolarHBondContact N-O 2.94Å; W458-H527 HydrophobicContact CZ3-CB 4.12Å; R521-H527 VanDerWaalsContact C-CE1 3.43Å; R521-H527 PolarHBondContact O-CE1 2.99Å; R521-H527 PolarHBondContact O-ND1 3.01Å; F522-H527 AromaticContact CD1-CD2 3.7Å; F522-H527 AromaticContact CD1-CG 4Å; F522-H527 AromaticContact CD1-NE2 3.71Å; F522-H527 AromaticContact CE1-CD2 3.83Å; F522-H527 AromaticContact CE1-NE2 3.84Å; G525-H527 VanDerWaalsContact C-N 3.28Å; G525-H527 PolarHBondContact O-N 2.85Å
528	T	91.5	Very high	82.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.3	171.6	-172	0	0	0	0	109.3	A269 L271 I295 I315 Q316 N321 I530	A269-T528 HydrophobicContact CB-CG2 4Å; A269-T528 PolarHBondContact N-O 3.32Å; A269-T528 PolarHBondContact O-N 2.8Å; L271-T528 HydrophobicContact CD1-CG2 4.03Å; L271-T528 HydrophobicContact CG-CG2 4.45Å; I295-T528 HydrophobicContact CD1-CG2 3.66Å; I295-T528 HydrophobicContact CG1-CG2 4.04Å; I315-T528 HydrophobicContact CG2-CG2 4.46Å; I315-T528 WeakPolarHBondContact CG2-OG1 3.37Å; Q316-T528 PolarHBondContact O-OG1 2.78Å; N321-T528 PolarHBondContact ND2-OG1 2.84Å; T528-I530 HydrophobicContact CG2-CD1 4.29Å; T528-I530 HydrophobicContact CG2-CG1 4.38Å
529	Y	93	Very high	84.1	Confident	13 Å²	13	41.6 Å²	41.6	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.5	-179.3	-169.2	-71.4	0	0	0	108.6	I266 R319 M320 N321 W458 N671 N672	I266-Y529 HydrophobicContact CB-CE1 4.42Å; I266-Y529 HydrophobicContact CD1-CE1 3.49Å; I266-Y529 VanDerWaalsContact CD1-CE1 3.49Å; I266-Y529 WeakPolarHBondContact CD1-OH 3.45Å; I266-Y529 HydrophobicContact CG1-CE1 3.79Å; I266-Y529 HydrophobicContact CG2-CD1 4.47Å; I266-Y529 HydrophobicContact CG2-CE1 3.73Å; I266-Y529 HydrophobicContact CG2-CE2 4Å; I266-Y529 VanDerWaalsContact CG2-CZ 3.49Å; R319-Y529 PolarHBondContact O-N 3.34Å; M320-Y529 CarbonylContact C-O 3.39Å; M320-Y529 WeakPolarHBondContact CA-O 3.14Å; M320-Y529 HydrophobicContact CB-CD1 4.32Å; M320-Y529 HydrophobicContact CE-CD1 3.79Å; M320-Y529 HydrophobicContact CE-CD2 4.31Å; M320-Y529 HydrophobicContact CE-CE1 3.79Å; M320-Y529 HydrophobicContact CE-CE2 4.31Å; M320-Y529 HydrophobicContact CE-CG 4.01Å; M320-Y529 HydrophobicContact CG-CD1 4.05Å; M320-Y529 HydrophobicContact SD-CD1 3.11Å; M320-Y529 WeakPolarHBondContact SD-CD1 3.46Å; M320-Y529 HydrophobicContact SD-CE1 3.13Å; M320-Y529 WeakPolarHBondContact SD-CE1 3.39Å; M320-Y529 HydrophobicContact SD-CG 3.9Å; N321-Y529 PolarHBondContact N-O 3.19Å; N321-Y529 PolarHBondContact ND2-O 2.85Å; W458-Y529 HydrophobicContact CD2-CD2 4.4Å; W458-Y529 HydrophobicContact CD2-CG 4.45Å; W458-Y529 AromaticContact CE2-CD2 3.75Å; W458-Y529 AromaticContact CH2-CD2 3.86Å; W458-Y529 HydrophobicContact CH2-CD2 3.86Å; W458-Y529 HydrophobicContact CH2-CG 4.5Å; W458-Y529 AromaticContact CZ2-CD2 3.46Å; W458-Y529 HydrophobicContact CZ2-CD2 3.46Å; W458-Y529 VanDerWaalsContact CZ2-CD2 3.46Å; W458-Y529 HydrophobicContact CZ2-CE2 4.18Å; W458-Y529 HydrophobicContact CZ2-CG 4.26Å; W458-Y529 HydrophobicContact CZ3-CD2 4.46Å; Y529-N671 PolarHBondContact OH-O 3.28Å; Y529-N672 WeakPolarHBondContact OH-CA 3.45Å; Y529-N672 PolarHBondContact OH-N 2.88Å
530	I	95.7	Very high	85.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.7	-173.6	-53.6	175.6	0	0	0	108.5	L134 I266 I267 I295 V297 I315 N321 I323 T528	L134-I530 HydrophobicContact CD2-CD1 3.61Å; I266-I530 WeakPolarHBondContact CA-O 3.31Å; I266-I530 WeakPolarHBondContact CG1-O 3.42Å; I267-I530 HydrophobicContact CB-CB 4.34Å; I267-I530 PolarHBondContact N-O 3.19Å; I267-I530 PolarHBondContact O-N 3.25Å; I295-I530 HydrophobicContact CB-CD1 4.49Å; I295-I530 HydrophobicContact CD1-CD1 4.1Å; I295-I530 HydrophobicContact CG2-CD1 4.4Å; V297-I530 HydrophobicContact CG2-CD1 4.18Å; I315-I530 HydrophobicContact CG2-CD1 3.83Å; I315-I530 HydrophobicContact CG2-CG1 3.69Å; N321-I530 WeakPolarHBondContact O-CA 3.47Å; I323-I530 HydrophobicContact CD1-CG2 4.26Å; T528-I530 HydrophobicContact CG2-CD1 4.29Å; T528-I530 HydrophobicContact CG2-CG1 4.38Å
531	S	95.8	Very high	87.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.1	172.8	-176.7	0	0	0	0	111.3	R264 I266 N321 I323	R264-S531 VanDerWaalsContact CZ-OG 3.27Å; R264-S531 PolarHBondContact NE-OG 3.26Å; R264-S531 PolarHBondContact NH2-OG 3.2Å; I266-S531 WeakPolarHBondContact CD1-OG 3.37Å; I266-S531 VanDerWaalsContact CG1-CA 3.44Å; I266-S531 VanDerWaalsContact CG1-CB 3.44Å; N321-S531 PolarHBondContact O-N 3.03Å; I323-S531 WeakPolarHBondContact CB-O 3.42Å; I323-S531 PolarHBondContact N-O 3.2Å
532	L	96.7	Very high	88.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.5	171.8	179.1	62.7	0	0	0	108.6	F129 P130 I132 R264 L265 I299 I323 Y325	F129-L532 HydrophobicContact CE1-CD2 3.77Å; F129-L532 HydrophobicContact CZ-CB 4.48Å; F129-L532 HydrophobicContact CZ-CD2 3.61Å; F129-L532 HydrophobicContact CZ-CG 3.92Å; P130-L532 HydrophobicContact CG-CD2 4.18Å; I132-L532 HydrophobicContact CB-CD2 4.05Å; I132-L532 HydrophobicContact CD1-CD2 4.1Å; I132-L532 HydrophobicContact CG2-CD2 4.27Å; R264-L532 CarbonylContact C-O 3.56Å; R264-L532 WeakPolarHBondContact CA-O 3.4Å; R264-L532 WeakPolarHBondContact CG-O 3.24Å; L265-L532 PolarHBondContact N-O 2.84Å; L265-L532 PolarHBondContact O-N 2.83Å; I299-L532 HydrophobicContact CD1-CD1 3.51Å; I299-L532 HydrophobicContact CG1-CD1 4.17Å; I323-L532 HydrophobicContact CB-CD1 4.17Å; I323-L532 HydrophobicContact CG2-CD1 4.27Å; I323-L532 CarbonylContact O-C 3.57Å; I323-L532 WeakPolarHBondContact O-CA 3.24Å; Y325-L532 HydrophobicContact CD1-CD1 3.56Å; Y325-L532 HydrophobicContact CD1-CG 3.96Å; Y325-L532 HydrophobicContact CE1-CD1 4.23Å; Y325-L532 HydrophobicContact CE1-CG 4.13Å; Y325-L532 HydrophobicContact CG-CD1 4.47Å
533	I	95.8	Very high	90.3	Very high	31 Å²	31	31.7 Å²	31.7	16%	0.159	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.1	175.1	-24.2	175.4	0	0	0	111.5	R264 E322 I323 N324 Y325	R264-I533 HydrophobicContact CB-CG2 4.17Å; R264-I533 HydrophobicContact CG-CB 4.27Å; R264-I533 HydrophobicContact CG-CG1 4.1Å; R264-I533 HydrophobicContact CG-CG2 4.03Å; E322-I533 HydrophobicContact CG-CD1 4.1Å; E322-I533 HydrophobicContact CG-CG1 4.19Å; I323-I533 PolarHBondContact O-N 2.99Å; N324-I533 WeakPolarHBondContact OD1-CD1 3.07Å; N324-I533 WeakPolarHBondContact OD1-CG1 3.24Å; Y325-I533 VanDerWaalsContact CD1-C 3.42Å; Y325-I533 WeakPolarHBondContact CD1-O 3.31Å; Y325-I533 PolarHBondContact N-O 3Å
534	R	95.2	Very high	91.7	Very high	12 Å²	12	28 Å²	28	5%	0.045	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.1	153.8	-174	-173.5	-60.9	-101.7	5	109.4	S127 S260 V262 T263 Y325 D536	S127-R534 VanDerWaalsContact O-CZ 3.32Å; S127-R534 PolarHBondContact O-NH1 2.73Å; S127-R534 PolarHBondContact O-NH2 3.5Å; S127-R534 PolarHBondContact OG-NH1 3.48Å; S260-R534 PolarHBondContact O-NH2 3.09Å; V262-R534 PolarHBondContact O-NE 3.23Å; V262-R534 PolarHBondContact O-NH2 2.95Å; T263-R534 VanDerWaalsContact O-CB 3.26Å; T263-R534 WeakPolarHBondContact O-CB 3.43Å; T263-R534 PolarHBondContact O-N 2.72Å; Y325-R534 HydrophobicContact CE1-CB 3.99Å; Y325-R534 VanDerWaalsContact CE1-N 3.32Å; Y325-R534 HydrophobicContact CE2-CB 4.25Å; Y325-R534 HydrophobicContact CE2-CG 4.25Å; R534-D536 WeakPolarHBondContact CD-O 3.13Å; R534-D536 WeakPolarHBondContact CG-O 3.11Å
535	Q	93.3	Very high	92.9	Very high	60 Å²	60	29.6 Å²	29.6	28%	0.28	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-51.4	176.6	-74.5	173.7	63.3	0	0	111.5	N324 Y325	N324-Q535 VanDerWaalsContact C-NE2 3.3Å; N324-Q535 HydrophobicContact CB-CG 3.86Å; N324-Q535 PolarHBondContact O-NE2 3.14Å; Y325-Q535 VanDerWaalsContact C-NE2 3.31Å; Y325-Q535 WeakPolarHBondContact O-CB 3.42Å; Y325-Q535 WeakPolarHBondContact O-CG 3.35Å; Y325-Q535 PolarHBondContact O-N 2.95Å
536	D	92.1	Very high	93.9	Very high	111 Å²	111	29.8 Å²	29.8	59%	0.594	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.5	178.7	-70.4	-72.4	0	0	0	109.9	R534 D538	R534-D536 WeakPolarHBondContact CD-O 3.13Å; R534-D536 WeakPolarHBondContact CG-O 3.11Å; D536-D538 HydrophobicContact CB-CB 4.38Å; D536-D538 PolarHBondContact O-N 3.49Å
537	F	93.2	Very high	94.4	Very high	44 Å²	44	33 Å²	33	19%	0.193	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-8.9	171.6	-77.1	-72.2	0	0	0	114	D125 K126 E218 T263	D125-F537 CarbonylContact C-O 3.5Å; D125-F537 PolarHBondContact N-O 3.5Å; K126-F537 HydrophobicContact CB-CD1 4.24Å; K126-F537 HydrophobicContact CD-CD1 3.91Å; K126-F537 HydrophobicContact CD-CE1 3.95Å; K126-F537 HydrophobicContact CG-CB 4.36Å; K126-F537 HydrophobicContact CG-CD1 3.71Å; K126-F537 HydrophobicContact CG-CE1 4.27Å; K126-F537 HydrophobicContact CG-CG 4.24Å; E218-F537 HydrophobicContact CG-CZ 4.29Å; E218-F537 WeakPolarHBondContact OE1-CE2 3.33Å; E218-F537 WeakPolarHBondContact OE1-CZ 3.46Å; T263-F537 HydrophobicContact CG2-CE1 4.25Å; T263-F537 HydrophobicContact CG2-CE2 3.91Å; T263-F537 HydrophobicContact CG2-CZ 3.38Å
538	D	94.1	Very high	94.6	Very high	47 Å²	47	33.3 Å²	33.3	25%	0.251	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	137	174.8	-83.4	33.2	0	0	0	112.2	L122 L123 D124 D536	L122-D538 VanDerWaalsContact O-CA 3.3Å; L122-D538 WeakPolarHBondContact O-CA 3.37Å; L123-D538 VanDerWaalsContact CA-OD1 3.31Å; L123-D538 WeakPolarHBondContact CA-OD1 3.46Å; L123-D538 WeakPolarHBondContact CD2-OD2 3.33Å; D124-D538 PolarHBondContact N-OD1 3.39Å; D124-D538 VanDerWaalsContact N-OD1 3.1Å; D536-D538 HydrophobicContact CB-CB 4.38Å; D536-D538 PolarHBondContact O-N 3.49Å
539	T	95.6	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.1	171.8	-70	0	0	0	0	110.1	L122 D125 S127 T327 F329 Y447 M541	L122-T539 PolarHBondContact N-O 3.22Å; L122-T539 PolarHBondContact O-N 2.88Å; D125-T539 PolarHBondContact O-OG1 3.07Å; D125-T539 WeakPolarHBondContact OD2-CB 3.27Å; S127-T539 WeakPolarHBondContact CB-OG1 3.39Å; T327-T539 HydrophobicContact CG2-CG2 4.25Å; F329-T539 HydrophobicContact CB-CG2 3.75Å; Y447-T539 HydrophobicContact CE1-CG2 4.43Å; T539-M541 PolarHBondContact O-N 2.96Å
540	I	96.5	Very high	94.6	Very high	35 Å²	35	38.9 Å²	38.9	18%	0.179	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	103.7	174.1	-66	-169.4	0	0	0	109.7	T119 R120 E326 T327 L328 F329 K542	T119-I540 HydrophobicContact CG2-CG2 3.47Å; T119-I540 VanDerWaalsContact CG2-CG2 3.47Å; R120-I540 CarbonylContact O-C 3.55Å; R120-I540 WeakPolarHBondContact O-CA 3.22Å; E326-I540 WeakPolarHBondContact OE1-CD1 3.48Å; T327-I540 PolarHBondContact O-N 2.92Å; L328-I540 CarbonylContact C-O 3.6Å; L328-I540 WeakPolarHBondContact CA-O 3.07Å; L328-I540 HydrophobicContact CG-CB 4.32Å; F329-I540 PolarHBondContact N-O 2.9Å; I540-K542 HydrophobicContact CG2-CG 4.39Å
541	M	96.8	Very high	94.5	Very high	33 Å²	33	47.2 Å²	47.2	16%	0.163	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.2	170.8	-176.9	178.3	-72.9	0	0	110.6	T119 R120 L122 F329 T539 E543	T119-M541 CarbonylContact C-O 3.58Å; T119-M541 WeakPolarHBondContact CA-O 3.46Å; R120-M541 PolarHBondContact N-O 3.41Å; R120-M541 PolarHBondContact O-N 2.93Å; L122-M541 HydrophobicContact CD1-CE 3.71Å; L122-M541 HydrophobicContact CG-CB 4.44Å; F329-M541 HydrophobicContact CD1-CE 3.87Å; F329-M541 HydrophobicContact CD1-CG 4.26Å; F329-M541 HydrophobicContact CE1-CE 4.18Å; F329-M541 WeakPolarHBondContact O-CA 3.47Å; T539-M541 PolarHBondContact O-N 2.96Å; M541-E543 HydrophobicContact CG-CB 4.27Å; M541-E543 HydrophobicContact SD-CB 4.35Å
542	K	97	Very high	94.4	Very high	43 Å²	43	50.4 Å²	50.4	19%	0.187	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103	165.5	-70.1	175.2	179.3	169.6	0	107.8	W117 T119 L328 F329 W330 K331 I540	W117-K542 HydrophobicContact CE3-CB 4.16Å; W117-K542 HydrophobicContact CZ3-CB 4.41Å; W117-K542 WeakPolarHBondContact CZ3-O 3.28Å; T119-K542 HydrophobicContact CG2-CG 4.21Å; L328-K542 HydrophobicContact CD2-CD 4.07Å; F329-K542 PolarHBondContact O-N 3.26Å; W330-K542 HydrophobicContact CD2-CB 4.21Å; W330-K542 HydrophobicContact CD2-CD 4.18Å; W330-K542 HydrophobicContact CE3-CB 3.84Å; W330-K542 HydrophobicContact CE3-CD 4.01Å; W330-K542 HydrophobicContact CH2-CD 3.5Å; W330-K542 VanDerWaalsContact CH2-CD 3.5Å; W330-K542 HydrophobicContact CZ2-CD 3.64Å; W330-K542 HydrophobicContact CZ3-CB 4.18Å; W330-K542 HydrophobicContact CZ3-CD 3.68Å; K331-K542 PolarHBondContact N-O 3.01Å; I540-K542 HydrophobicContact CG2-CG 4.39Å
543	E	96.5	Very high	94.2	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122	-177.6	-176.9	178	-127.2	0	0	111.3	N118 R120 K331 M541 R545	N118-E543 PolarHBondContact N-O 3.13Å; N118-E543 PolarHBondContact O-N 3.1Å; R120-E543 IonicContact CZ-OE2 3.83Å; R120-E543 IonicContact NH1-OE2 3.62Å; R120-E543 PolarHBondContact NH1-OE2 2.75Å; R120-E543 IonicContact NH2-OE2 3.78Å; K331-E543 HydrophobicContact CD-CG 4.11Å; K331-E543 WeakPolarHBondContact CE-OE1 3.46Å; K331-E543 HydrophobicContact CG-CG 4.49Å; K331-E543 IonicContact NZ-OE1 2.7Å; K331-E543 PolarHBondContact NZ-OE1 2.9Å; K331-E543 WeakPolarHBondContact O-CA 3.48Å; M541-E543 HydrophobicContact CG-CB 4.27Å; M541-E543 HydrophobicContact SD-CB 4.35Å; E543-R545 HydrophobicContact CG-CG 4.23Å; E543-R545 IonicContact OE1-NH2 3.96Å; E543-R545 IonicContact OE2-CZ 3.15Å; E543-R545 IonicContact OE2-NE 2.76Å; E543-R545 PolarHBondContact OE2-NE 2.75Å; E543-R545 IonicContact OE2-NH2 2.7Å; E543-R545 PolarHBondContact OE2-NH2 3.31Å
544	E	95.8	Very high	94.1	Very high	14 Å²	14	54.6 Å²	54.6	7%	0.065	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.2	172.4	-173.2	173.7	-156.9	0	0	110.2	T115 W117 K331 R332 L333	T115-E544 VanDerWaalsContact CB-OE1 3.3Å; T115-E544 WeakPolarHBondContact CB-OE1 3.25Å; T115-E544 HydrophobicContact CG2-CG 3.92Å; T115-E544 PolarHBondContact OG1-OE1 2.85Å; W117-E544 HydrophobicContact CD2-CB 4.28Å; W117-E544 HydrophobicContact CE3-CB 3.93Å; W117-E544 HydrophobicContact CH2-CB 4.17Å; W117-E544 HydrophobicContact CZ2-CB 4.46Å; W117-E544 HydrophobicContact CZ3-CB 3.87Å; K331-E544 PolarHBondContact O-N 2.85Å; R332-E544 VanDerWaalsContact CA-OE2 3.23Å; R332-E544 WeakPolarHBondContact CA-OE2 3.32Å; R332-E544 VanDerWaalsContact CB-OE2 3.3Å; R332-E544 WeakPolarHBondContact CB-OE2 3.12Å; R332-E544 IonicContact NE-OE2 3.55Å; L333-E544 HydrophobicContact CB-CB 4.2Å; L333-E544 HydrophobicContact CB-CG 4.02Å; L333-E544 PolarHBondContact N-OE2 3.08Å
545	R	94.6	Very high	94	Very high	93 Å²	93	58 Å²	58	35%	0.351	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	180	-65	-174.6	164.8	-130	-13.3	110.6	T115 A116 R120 E543 V547	T115-R545 CarbonylContact C-O 3.5Å; T115-R545 VanDerWaalsContact CA-O 3.22Å; T115-R545 WeakPolarHBondContact CA-O 3.21Å; A116-R545 PolarHBondContact N-O 3.2Å; A116-R545 PolarHBondContact O-N 3.27Å; R120-R545 VanDerWaalsContact NH2-CZ 3.33Å; E543-R545 HydrophobicContact CG-CG 4.23Å; E543-R545 IonicContact OE1-NH2 3.96Å; E543-R545 IonicContact OE2-CZ 3.15Å; E543-R545 IonicContact OE2-NE 2.76Å; E543-R545 PolarHBondContact OE2-NE 2.75Å; E543-R545 IonicContact OE2-NH2 2.7Å; E543-R545 PolarHBondContact OE2-NH2 3.31Å; R545-V547 PolarHBondContact O-N 3.5Å
546	L	93.9	Very high	94.1	Very high	49 Å²	49	61.3 Å²	61.3	26%	0.257	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	132.7	169	-64.1	175.6	0	0	0	109.9	Y113 T115 L333 T335 F548 D549	Y113-L546 HydrophobicContact CD1-CD2 4.33Å; T115-L546 HydrophobicContact CG2-CD2 4.21Å; L333-L546 HydrophobicContact CD2-CD2 3.9Å; L333-L546 HydrophobicContact CD2-CG 3.73Å; T335-L546 HydrophobicContact CG2-CD2 4.38Å; L546-F548 VanDerWaalsContact C-N 3.26Å; L546-D549 HydrophobicContact CB-CB 4.44Å
547	V	92.1	Very high	94.2	Very high	79 Å²	79	58 Å²	58	48%	0.479	28%	0.281	S	S	.	.	S	Bend	trans	-69.8	-31.8	168.9	178.9	0	0	0	0	110.2	S114 A116 R545	S114-V547 PolarHBondContact O-N 3.48Å; A116-V547 HydrophobicContact CB-CG2 3.57Å; R545-V547 PolarHBondContact O-N 3.5Å
548	F	90.5	Very high	94.2	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.057	29%	0.291	C	S	.	.	S	Bend	trans	-131.8	83.3	-176	-158.4	-126.4	0	0	0	111.3	L106 Y110 L546 I552 L553 R556	L106-F548 HydrophobicContact CB-CE1 4.41Å; L106-F548 HydrophobicContact CB-CZ 4.46Å; L106-F548 HydrophobicContact CD2-CE1 4.37Å; L106-F548 HydrophobicContact CD2-CZ 3.9Å; L106-F548 WeakPolarHBondContact O-CE1 3.3Å; Y110-F548 HydrophobicContact CD2-CD1 4.27Å; Y110-F548 WeakPolarHBondContact CD2-O 3.45Å; L546-F548 VanDerWaalsContact C-N 3.26Å; F548-I552 HydrophobicContact CD2-CB 3.8Å; F548-I552 HydrophobicContact CD2-CG2 3.74Å; F548-I552 HydrophobicContact CE2-CB 3.8Å; F548-I552 HydrophobicContact CE2-CG2 3.56Å; F548-L553 HydrophobicContact CE1-CB 3.97Å; F548-L553 HydrophobicContact CE1-CD1 3.75Å; F548-L553 HydrophobicContact CE1-CG 4.48Å; F548-L553 HydrophobicContact CZ-CB 4.08Å; F548-L553 HydrophobicContact CZ-CD1 4.18Å; F548-R556 HydrophobicContact CE2-CG 4.31Å
549	D	92	Very high	94.2	Very high	59 Å²	59	57.5 Å²	57.5	32%	0.316	30%	0.299	S	S	.	.			trans	-79.2	162.5	176.2	-170.8	17.9	0	0	0	112	L546 Y551 I552 L553	L546-D549 HydrophobicContact CB-CB 4.44Å; D549-Y551 PolarHBondContact O-N 2.89Å; D549-Y551 VanDerWaalsContact OD2-CD2 3.32Å; D549-Y551 WeakPolarHBondContact OD2-CD2 3.41Å; D549-I552 HydrophobicContact CB-CD1 4.41Å; D549-I552 HydrophobicContact CB-CG1 4.32Å; D549-I552 WeakPolarHBondContact O-CA 3.27Å; D549-I552 WeakPolarHBondContact O-CB 3.17Å; D549-I552 PolarHBondContact O-N 3.15Å; D549-L553 PolarHBondContact O-N 3.5Å
550	I	92.7	Very high	94	Very high	72 Å²	72	59.5 Å²	59.5	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-33.9	-173.6	-165.5	170.5	0	0	0	113	Y110 I552 L553 I554	Y110-I550 HydrophobicContact CE2-CB 4.13Å; I550-I552 VanDerWaalsContact C-N 3.29Å; I550-I552 PolarHBondContact O-N 2.98Å; I550-L553 WeakPolarHBondContact O-CB 3.09Å; I550-L553 PolarHBondContact O-N 3.39Å; I550-I554 HydrophobicContact CG1-CD1 4.06Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.28Å; I550-I554 PolarHBondContact O-N 3.12Å
551	Y	93.9	Very high	93.8	Very high	176 Å²	176	59.1 Å²	59.1	69%	0.69	31%	0.31	S	S	*	.	H	α-helix	trans	-64.5	-34.4	174.1	-55.8	-73.6	0	0	0	112.3	D549 S555	D549-Y551 PolarHBondContact O-N 2.89Å; D549-Y551 VanDerWaalsContact OD2-CD2 3.32Å; D549-Y551 WeakPolarHBondContact OD2-CD2 3.41Å; Y551-S555 WeakPolarHBondContact O-CB 3.3Å; Y551-S555 PolarHBondContact O-N 3.43Å
552	I	93.4	Very high	93.6	Very high	66 Å²	66	60 Å²	60	34%	0.338	32%	0.319	S	S	.	.	H	α-helix	trans	-76.8	-37.8	179	-38.6	-177.6	0	0	0	110.1	F548 D549 I550 S555 R556	F548-I552 HydrophobicContact CD2-CB 3.8Å; F548-I552 HydrophobicContact CD2-CG2 3.74Å; F548-I552 HydrophobicContact CE2-CB 3.8Å; F548-I552 HydrophobicContact CE2-CG2 3.56Å; D549-I552 HydrophobicContact CB-CD1 4.41Å; D549-I552 HydrophobicContact CB-CG1 4.32Å; D549-I552 WeakPolarHBondContact O-CA 3.27Å; D549-I552 WeakPolarHBondContact O-CB 3.17Å; D549-I552 PolarHBondContact O-N 3.15Å; I550-I552 VanDerWaalsContact C-N 3.29Å; I550-I552 PolarHBondContact O-N 2.98Å; I552-S555 PolarHBondContact O-N 3.45Å; I552-R556 WeakPolarHBondContact O-CB 3.33Å; I552-R556 WeakPolarHBondContact O-CG 3.44Å; I552-R556 PolarHBondContact O-N 3.41Å
553	L	94.2	Very high	93.3	Very high	20 Å²	20	63.8 Å²	63.8	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-56.6	-54.7	169.7	176.8	70.4	0	0	0	111.3	L106 I107 Y110 F548 D549 I550 S555 R556 I557	L106-L553 HydrophobicContact CB-CD1 4.27Å; I107-L553 HydrophobicContact CG1-CD1 4.2Å; Y110-L553 HydrophobicContact CD1-CD2 3.9Å; Y110-L553 HydrophobicContact CD2-CB 4.22Å; Y110-L553 HydrophobicContact CD2-CD2 4.02Å; Y110-L553 HydrophobicContact CE1-CD2 4.2Å; Y110-L553 HydrophobicContact CE2-CD2 4.31Å; Y110-L553 HydrophobicContact CG-CD2 3.82Å; F548-L553 HydrophobicContact CE1-CB 3.97Å; F548-L553 HydrophobicContact CE1-CD1 3.75Å; F548-L553 HydrophobicContact CE1-CG 4.48Å; F548-L553 HydrophobicContact CZ-CB 4.08Å; F548-L553 HydrophobicContact CZ-CD1 4.18Å; D549-L553 PolarHBondContact O-N 3.5Å; I550-L553 WeakPolarHBondContact O-CB 3.09Å; I550-L553 PolarHBondContact O-N 3.39Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.13Å; L553-R556 PolarHBondContact O-N 2.9Å; L553-I557 HydrophobicContact CD1-CD1 3.65Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 4Å; L553-I557 WeakPolarHBondContact O-CB 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.15Å; L553-I557 PolarHBondContact O-N 3.17Å
554	I	92.9	Very high	93	Very high	100 Å²	100	63.2 Å²	63.2	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-43	179.6	-68.1	167	0	0	0	110.9	I550 G558	I550-I554 HydrophobicContact CG1-CD1 4.06Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.28Å; I550-I554 PolarHBondContact O-N 3.12Å; I554-G558 PolarHBondContact O-N 2.67Å
555	S	94	Very high	92.6	Very high	84 Å²	84	63.2 Å²	63.2	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-62.6	-47.1	178.3	-177.7	0	0	0	0	112.5	Y551 I552 L553 G558 G559	Y551-S555 WeakPolarHBondContact O-CB 3.3Å; Y551-S555 PolarHBondContact O-N 3.43Å; I552-S555 PolarHBondContact O-N 3.45Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.13Å; S555-G558 PolarHBondContact O-N 3.26Å; S555-G559 PolarHBondContact O-N 2.85Å
556	R	95	Very high	92.1	Very high	129 Å²	129	59.1 Å²	59.1	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-42.1	178.7	-70.6	-169.6	-170.4	165.2	1	112.6	L106 F548 I552 L553 G559 L560	L106-R556 HydrophobicContact CD1-CB 3.77Å; F548-R556 HydrophobicContact CE2-CG 4.31Å; I552-R556 WeakPolarHBondContact O-CB 3.33Å; I552-R556 WeakPolarHBondContact O-CG 3.44Å; I552-R556 PolarHBondContact O-N 3.41Å; L553-R556 PolarHBondContact O-N 2.9Å; R556-G559 PolarHBondContact O-N 3Å; R556-L560 WeakPolarHBondContact O-CG 3.45Å; R556-L560 PolarHBondContact O-N 3Å
557	I	94	Very high	91.7	Very high	42 Å²	42	58.7 Å²	58.7	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175.1	-69	175.8	0	0	0	110.4	L106 I107 L553 G559 L560 C561	L106-I557 HydrophobicContact CD1-CG1 4.31Å; I107-I557 HydrophobicContact CD1-CD1 4.42Å; I107-I557 HydrophobicContact CG1-CD1 4.22Å; L553-I557 HydrophobicContact CD1-CD1 3.65Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 4Å; L553-I557 WeakPolarHBondContact O-CB 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.15Å; L553-I557 PolarHBondContact O-N 3.17Å; I557-G559 VanDerWaalsContact C-N 3.32Å; I557-G559 PolarHBondContact O-N 2.61Å; I557-L560 PolarHBondContact O-N 2.83Å; I557-C561 WeakPolarHBondContact O-CB 3.32Å; I557-C561 PolarHBondContact O-N 3.03Å; I557-C561 PolarHBondContact O-SG 3.06Å; I557-C561 VanDerWaalsContact O-SG 3.34Å
558	G	92.5	Very high	91.5	Very high	39 Å²	39	58.4 Å²	58.4	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-41.2	174.8	0	0	0	0	0	112.9	I554 S555 C561 S562	I554-G558 PolarHBondContact O-N 2.67Å; S555-G558 PolarHBondContact O-N 3.26Å; G558-C561 PolarHBondContact O-N 2.91Å; G558-S562 WeakPolarHBondContact O-CB 3.32Å; G558-S562 PolarHBondContact O-N 3.06Å
559	G	93.4	Very high	91.2	Very high	41 Å²	41	64.8 Å²	64.8	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-48.5	172.7	0	0	0	0	0	112.9	S555 R556 I557 S562 L563	S555-G559 PolarHBondContact O-N 2.85Å; R556-G559 PolarHBondContact O-N 3Å; I557-G559 VanDerWaalsContact C-N 3.32Å; I557-G559 PolarHBondContact O-N 2.61Å; G559-S562 PolarHBondContact O-N 3.08Å; G559-L563 WeakPolarHBondContact O-CB 3.3Å; G559-L563 PolarHBondContact O-N 3.39Å
560	L	93.3	Very high	90.7	Very high	42 Å²	42	64.4 Å²	64.4	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176.9	-69.4	172.6	0	0	0	112.3	L99 L106 R556 I557 S562 L563 C564	L99-L560 HydrophobicContact CD1-CB 3.53Å; L106-L560 HydrophobicContact CD1-CD1 3.61Å; R556-L560 WeakPolarHBondContact O-CG 3.45Å; R556-L560 PolarHBondContact O-N 3Å; I557-L560 PolarHBondContact O-N 2.83Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 3.07Å; L560-L563 PolarHBondContact O-N 2.94Å; L560-C564 WeakPolarHBondContact O-CB 3.49Å; L560-C564 PolarHBondContact O-N 2.88Å
561	C	92.2	Very high	90.3	Very high	28 Å²	28	62.9 Å²	62.9	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-56.7	-45.5	174.6	-77.4	0	0	0	0	111.9	I557 G558 I565 G566 L567	I557-C561 WeakPolarHBondContact O-CB 3.32Å; I557-C561 PolarHBondContact O-N 3.03Å; I557-C561 PolarHBondContact O-SG 3.06Å; I557-C561 VanDerWaalsContact O-SG 3.34Å; G558-C561 PolarHBondContact O-N 2.91Å; C561-I565 PolarHBondContact O-N 3.2Å; C561-G566 PolarHBondContact O-N 3.45Å; C561-L567 CarbonylContact C-O 3.45Å; C561-L567 HydrophobicContact CB-CB 4.02Å; C561-L567 PolarHBondContact O-N 2.87Å
562	S	91.2	Very high	89.8	Confident	50 Å²	50	59 Å²	59	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-69.2	-33.3	177.8	-174.4	0	0	0	0	112.9	R71 G558 G559 L560 G566 L567	R71-S562 VanDerWaalsContact CZ-O 3.29Å; R71-S562 PolarHBondContact NH1-O 3.23Å; R71-S562 PolarHBondContact NH2-O 3.47Å; G558-S562 WeakPolarHBondContact O-CB 3.32Å; G558-S562 PolarHBondContact O-N 3.06Å; G559-S562 PolarHBondContact O-N 3.08Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 3.07Å; S562-G566 WeakPolarHBondContact O-CA 3.25Å; S562-G566 PolarHBondContact O-N 2.88Å; S562-L567 PolarHBondContact N-O 3.36Å
563	L	90.8	Very high	89.5	Confident	124 Å²	124	60.9 Å²	60.9	65%	0.649	35%	0.354	S	S	*	.	H	α-helix	trans	-75.8	-60.5	178.5	-169.8	157.3	0	0	0	111.5	R71 G559 L560	R71-L563 PolarHBondContact NH1-O 3.4Å; G559-L563 WeakPolarHBondContact O-CB 3.3Å; G559-L563 PolarHBondContact O-N 3.39Å; L560-L563 PolarHBondContact O-N 2.94Å
564	C	90.4	Very high	89	Confident	8 Å²	8	62 Å²	62	5%	0.054	36%	0.359	C	S	.	.	H	α-helix	trans	-68.7	-45.1	-172	-65.1	0	0	0	0	112.9	M95 L99 L560	M95-C564 HydrophobicContact CB-CB 4.23Å; M95-C564 WeakPolarHBondContact CB-O 3.15Å; M95-C564 HydrophobicContact SD-CB 4.38Å; L99-C564 HydrophobicContact CB-CB 4.19Å; L560-C564 WeakPolarHBondContact O-CB 3.49Å; L560-C564 PolarHBondContact O-N 2.88Å
565	I	87.3	Confident	88.6	Confident	13 Å²	13	60.4 Å²	60.4	7%	0.067	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-19.7	-169.8	-50.9	-175	0	0	0	112.2	I70 R71 T96 L99 C561 L567	I70-I565 HydrophobicContact CB-CG2 4.36Å; I70-I565 HydrophobicContact CG1-CG2 4.27Å; I70-I565 HydrophobicContact CG2-CG2 3.72Å; R71-I565 VanDerWaalsContact CB-O 3.25Å; R71-I565 WeakPolarHBondContact CB-O 3.26Å; R71-I565 WeakPolarHBondContact CG-O 3.32Å; R71-I565 PolarHBondContact N-O 3.02Å; T96-I565 HydrophobicContact CG2-CD1 3.55Å; T96-I565 HydrophobicContact CG2-CG1 4.46Å; L99-I565 HydrophobicContact CD2-CD1 3.41Å; L99-I565 VanDerWaalsContact CD2-CD1 3.41Å; L99-I565 HydrophobicContact CD2-CG1 3.96Å; C561-I565 PolarHBondContact O-N 3.2Å; I565-L567 VanDerWaalsContact C-N 3.26Å; I565-L567 HydrophobicContact CB-CD1 4.14Å; I565-L567 HydrophobicContact CB-CG 4.02Å; I565-L567 HydrophobicContact CD1-CD1 4.08Å; I565-L567 HydrophobicContact CG2-CD1 3.96Å; I565-L567 HydrophobicContact CG2-CG 3.74Å
566	G	85.3	Confident	88.2	Confident	8 Å²	8	60.6 Å²	60.6	8%	0.082	35%	0.349	C	S	.	.			trans	73.4	21.3	-168.4	0	0	0	0	0	112.9	S69 C561 S562	S69-G566 PolarHBondContact OG-O 3.17Å; C561-G566 PolarHBondContact O-N 3.45Å; S562-G566 WeakPolarHBondContact O-CA 3.25Å; S562-G566 PolarHBondContact O-N 2.88Å
567	L	84.6	Confident	87.8	Confident	39 Å²	39	59.1 Å²	59.1	20%	0.204	35%	0.348	C	S	.	.			trans	-72.1	130.7	172.5	-77.5	171.9	0	0	0	109.7	I70 C561 S562 I565 F571	I70-L567 HydrophobicContact CD1-CD2 4.37Å; I70-L567 HydrophobicContact CG1-CD2 3.8Å; I70-L567 HydrophobicContact CG1-CG 4.49Å; C561-L567 CarbonylContact C-O 3.45Å; C561-L567 HydrophobicContact CB-CB 4.02Å; C561-L567 PolarHBondContact O-N 2.87Å; S562-L567 PolarHBondContact N-O 3.36Å; I565-L567 VanDerWaalsContact C-N 3.26Å; I565-L567 HydrophobicContact CB-CD1 4.14Å; I565-L567 HydrophobicContact CB-CG 4.02Å; I565-L567 HydrophobicContact CD1-CD1 4.08Å; I565-L567 HydrophobicContact CG2-CD1 3.96Å; I565-L567 HydrophobicContact CG2-CG 3.74Å; L567-F571 HydrophobicContact CD2-CB 3.73Å; L567-F571 HydrophobicContact CD2-CD1 3.6Å; L567-F571 HydrophobicContact CD2-CD2 3.64Å; L567-F571 HydrophobicContact CD2-CE1 4.1Å; L567-F571 HydrophobicContact CD2-CE2 4.14Å; L567-F571 HydrophobicContact CD2-CG 3.34Å; L567-F571 HydrophobicContact CD2-CZ 4.35Å
568	T	88	Confident	87.2	Confident	74 Å²	74	59.6 Å²	59.6	45%	0.454	35%	0.348	S	S	.	.			trans	-136.3	174.1	175	67.9	0	0	0	0	108.7	A570 F571	T568-A570 PolarHBondContact O-N 3.34Å; T568-A570 PolarHBondContact OG1-N 3.05Å; T568-F571 WeakPolarHBondContact O-CB 3.23Å; T568-F571 PolarHBondContact O-N 2.71Å
569	M	83.4	Confident	86.7	Confident	146 Å²	146	61.8 Å²	61.8	72%	0.719	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.8	176	-71.3	-63.2	-170.7	0	0	113.7	F571 I572	M569-F571 PolarHBondContact O-N 2.75Å; M569-I572 WeakPolarHBondContact O-CB 3.37Å; M569-I572 PolarHBondContact O-N 2.95Å; M569-I572 VanDerWaalsContact O-N 3.11Å; M569-I572 HydrophobicContact SD-CD1 3.55Å; M569-I572 VanDerWaalsContact SD-CD1 3.55Å
570	A	83.2	Confident	86.3	Confident	52 Å²	52	67 Å²	67	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-30.8	173.9	0	0	0	0	0	113	T568 I572 V573 E574	T568-A570 PolarHBondContact O-N 3.34Å; T568-A570 PolarHBondContact OG1-N 3.05Å; A570-I572 PolarHBondContact O-N 2.78Å; A570-V573 WeakPolarHBondContact O-CA 3.36Å; A570-V573 WeakPolarHBondContact O-CB 3.47Å; A570-V573 PolarHBondContact O-N 3.01Å; A570-E574 PolarHBondContact O-N 2.63Å; A570-E574 VanDerWaalsContact O-N 3.15Å
571	F	84.1	Confident	85.7	Confident	39 Å²	39	67.9 Å²	67.9	17%	0.171	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-27.6	175.9	178.7	-101.5	0	0	0	112.8	F64 I70 L567 T568 M569 V573 E574 L575	F64-F571 AromaticContact CZ-CE2 3.93Å; F64-F571 HydrophobicContact CZ-CE2 3.93Å; F64-F571 HydrophobicContact CZ-CZ 4.27Å; I70-F571 HydrophobicContact CD1-CD2 4.31Å; I70-F571 HydrophobicContact CD1-CE2 3.55Å; I70-F571 HydrophobicContact CD1-CZ 3.96Å; I70-F571 HydrophobicContact CG1-CD2 4.18Å; I70-F571 HydrophobicContact CG1-CE2 3.91Å; L567-F571 HydrophobicContact CD2-CB 3.73Å; L567-F571 HydrophobicContact CD2-CD1 3.6Å; L567-F571 HydrophobicContact CD2-CD2 3.64Å; L567-F571 HydrophobicContact CD2-CE1 4.1Å; L567-F571 HydrophobicContact CD2-CE2 4.14Å; L567-F571 HydrophobicContact CD2-CG 3.34Å; L567-F571 HydrophobicContact CD2-CZ 4.35Å; T568-F571 WeakPolarHBondContact O-CB 3.23Å; T568-F571 PolarHBondContact O-N 2.71Å; M569-F571 PolarHBondContact O-N 2.75Å; F571-V573 VanDerWaalsContact C-N 3.28Å; F571-V573 PolarHBondContact O-N 3.2Å; F571-E574 WeakPolarHBondContact CD2-OE2 3.34Å; F571-E574 PolarHBondContact O-N 3.45Å; F571-L575 HydrophobicContact CE1-CB 4.39Å; F571-L575 HydrophobicContact CE1-CD1 3.83Å; F571-L575 HydrophobicContact CZ-CD1 4.12Å; F571-L575 VanDerWaalsContact O-CB 3.25Å; F571-L575 WeakPolarHBondContact O-CB 3.4Å; F571-L575 PolarHBondContact O-N 3.45Å
572	I	83.5	Confident	85.1	Confident	96 Å²	96	69.4 Å²	69.4	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-36.8	174.4	-58.3	-179.7	0	0	0	110.1	M569 A570 L575 V576	M569-I572 WeakPolarHBondContact O-CB 3.37Å; M569-I572 PolarHBondContact O-N 2.95Å; M569-I572 VanDerWaalsContact O-N 3.11Å; M569-I572 HydrophobicContact SD-CD1 3.55Å; M569-I572 VanDerWaalsContact SD-CD1 3.55Å; A570-I572 PolarHBondContact O-N 2.78Å; I572-L575 PolarHBondContact O-N 3.48Å; I572-V576 WeakPolarHBondContact O-CB 3.46Å; I572-V576 VanDerWaalsContact O-CG2 3.27Å; I572-V576 WeakPolarHBondContact O-CG2 3.33Å; I572-V576 PolarHBondContact O-N 3.06Å
573	V	86.1	Confident	84.6	Confident	104 Å²	104	70.7 Å²	70.7	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-68.3	-44.6	175.8	-172.1	0	0	0	0	110.7	A570 F571 L575 V576 E577	A570-V573 WeakPolarHBondContact O-CA 3.36Å; A570-V573 WeakPolarHBondContact O-CB 3.47Å; A570-V573 PolarHBondContact O-N 3.01Å; F571-V573 VanDerWaalsContact C-N 3.28Å; F571-V573 PolarHBondContact O-N 3.2Å; V573-L575 VanDerWaalsContact C-N 3.31Å; V573-L575 PolarHBondContact O-N 3.14Å; V573-V576 PolarHBondContact O-N 3.46Å; V573-E577 PolarHBondContact O-N 2.96Å
574	E	84.8	Confident	83.6	Confident	43 Å²	43	67.8 Å²	67.8	20%	0.201	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-41.7	174.1	-63.2	176.1	-177.8	0	0	112.2	S68 S69 A570 F571 E577 F578	S68-E574 WeakPolarHBondContact CA-OE2 3.33Å; S68-E574 PolarHBondContact OG-OE2 2.97Å; S68-E574 VanDerWaalsContact OG-OE2 3.12Å; S69-E574 VanDerWaalsContact CB-OE1 3.31Å; S69-E574 WeakPolarHBondContact CB-OE1 3.31Å; S69-E574 VanDerWaalsContact N-CD 3.33Å; S69-E574 PolarHBondContact N-OE1 2.55Å; S69-E574 PolarHBondContact N-OE2 3.21Å; A570-E574 PolarHBondContact O-N 2.63Å; A570-E574 VanDerWaalsContact O-N 3.15Å; F571-E574 WeakPolarHBondContact CD2-OE2 3.34Å; F571-E574 PolarHBondContact O-N 3.45Å; E574-E577 PolarHBondContact O-N 3.11Å; E574-F578 VanDerWaalsContact O-CB 3.29Å; E574-F578 WeakPolarHBondContact O-CB 3.28Å; E574-F578 PolarHBondContact O-N 2.94Å
575	L	82.9	Confident	82.1	Confident	67 Å²	67	73.6 Å²	73.6	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-70.1	-38.8	179.3	-178.6	139	0	0	0	111.7	F571 I572 V573 F578 I579	F571-L575 HydrophobicContact CE1-CB 4.39Å; F571-L575 HydrophobicContact CE1-CD1 3.83Å; F571-L575 HydrophobicContact CZ-CD1 4.12Å; F571-L575 VanDerWaalsContact O-CB 3.25Å; F571-L575 WeakPolarHBondContact O-CB 3.4Å; F571-L575 PolarHBondContact O-N 3.45Å; I572-L575 PolarHBondContact O-N 3.48Å; V573-L575 VanDerWaalsContact C-N 3.31Å; V573-L575 PolarHBondContact O-N 3.14Å; L575-F578 PolarHBondContact O-N 3.12Å; L575-I579 HydrophobicContact CD2-CD1 3.6Å; L575-I579 HydrophobicContact CG-CD1 4.17Å; L575-I579 WeakPolarHBondContact O-CB 3.25Å; L575-I579 VanDerWaalsContact O-CG1 3.26Å; L575-I579 WeakPolarHBondContact O-CG1 3.3Å; L575-I579 PolarHBondContact O-N 3.14Å
576	V	86.7	Confident	80.4	Confident	89 Å²	89	78 Å²	78	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-42.8	172.3	168	0	0	0	0	111.2	I572 V573 F578 I579 Y580	I572-V576 WeakPolarHBondContact O-CB 3.46Å; I572-V576 VanDerWaalsContact O-CG2 3.27Å; I572-V576 WeakPolarHBondContact O-CG2 3.33Å; I572-V576 PolarHBondContact O-N 3.06Å; V573-V576 PolarHBondContact O-N 3.46Å; V576-F578 PolarHBondContact O-N 2.65Å; V576-I579 PolarHBondContact O-N 3.09Å; V576-Y580 VanDerWaalsContact O-CB 3.26Å; V576-Y580 WeakPolarHBondContact O-CB 3.32Å; V576-Y580 PolarHBondContact O-N 2.9Å
577	E	85.3	Confident	78.6	Confident	98 Å²	98	84.2 Å²	84.2	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-60.5	-45.7	173.9	-169.6	-169.7	163.5	0	0	110.9	V573 E574 I579 Y580 L581	V573-E577 PolarHBondContact O-N 2.96Å; E574-E577 PolarHBondContact O-N 3.11Å; E577-I579 PolarHBondContact O-N 3.1Å; E577-Y580 PolarHBondContact O-N 2.88Å; E577-L581 HydrophobicContact CG-CD1 3.96Å; E577-L581 HydrophobicContact CG-CG 4.33Å; E577-L581 WeakPolarHBondContact O-CB 3.24Å; E577-L581 VanDerWaalsContact O-CG 3.27Å; E577-L581 WeakPolarHBondContact O-CG 3.44Å; E577-L581 PolarHBondContact O-N 3.25Å
578	F	81.3	Confident	76.9	Confident	52 Å²	52	87.9 Å²	87.9	23%	0.228	46%	0.462	C	S	.	.	H	α-helix	trans	-61.7	-43.8	178.5	-178.8	-117.9	0	0	0	112.6	F64 E574 L575 V576 L581 L582	F64-F578 HydrophobicContact CB-CD2 3.81Å; F64-F578 HydrophobicContact CB-CE2 3.69Å; F64-F578 HydrophobicContact CB-CZ 4.33Å; F64-F578 HydrophobicContact CD2-CB 3.76Å; F64-F578 HydrophobicContact CD2-CD1 4.05Å; F64-F578 AromaticContact CD2-CD2 3.63Å; F64-F578 HydrophobicContact CD2-CD2 3.63Å; F64-F578 HydrophobicContact CD2-CE2 4.19Å; F64-F578 AromaticContact CD2-CG 3.54Å; F64-F578 HydrophobicContact CD2-CG 3.54Å; F64-F578 HydrophobicContact CE2-CB 3.95Å; F64-F578 HydrophobicContact CE2-CD1 4.17Å; F64-F578 HydrophobicContact CE2-CD2 4.49Å; F64-F578 AromaticContact CE2-CG 3.97Å; F64-F578 HydrophobicContact CE2-CG 3.97Å; F64-F578 AromaticContact CG-CD2 3.93Å; F64-F578 HydrophobicContact CG-CD2 3.93Å; F64-F578 HydrophobicContact CG-CE2 4.02Å; F64-F578 HydrophobicContact CG-CG 4.19Å; F64-F578 HydrophobicContact CG-CZ 4.35Å; E574-F578 VanDerWaalsContact O-CB 3.29Å; E574-F578 WeakPolarHBondContact O-CB 3.28Å; E574-F578 PolarHBondContact O-N 2.94Å; L575-F578 PolarHBondContact O-N 3.12Å; V576-F578 PolarHBondContact O-N 2.65Å; F578-L581 PolarHBondContact O-N 3.01Å; F578-L582 HydrophobicContact CD1-CD1 3.82Å; F578-L582 HydrophobicContact CE1-CD1 3.54Å; F578-L582 HydrophobicContact CE1-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 4.32Å; F578-L582 HydrophobicContact CE2-CG 4.44Å; F578-L582 HydrophobicContact CG-CD1 4.33Å; F578-L582 HydrophobicContact CZ-CD1 3.82Å; F578-L582 HydrophobicContact CZ-CG 4.34Å; F578-L582 WeakPolarHBondContact O-CB 3.5Å; F578-L582 VanDerWaalsContact O-CG 3.31Å; F578-L582 WeakPolarHBondContact O-CG 3.41Å; F578-L582 PolarHBondContact O-N 3.5Å
579	I	83.5	Confident	74.9	Confident	85 Å²	85	92.7 Å²	92.7	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-43.5	174.8	-70.1	168.6	0	0	0	110.8	L575 V576 E577 L581 L582 C583	L575-I579 HydrophobicContact CD2-CD1 3.6Å; L575-I579 HydrophobicContact CG-CD1 4.17Å; L575-I579 WeakPolarHBondContact O-CB 3.25Å; L575-I579 VanDerWaalsContact O-CG1 3.26Å; L575-I579 WeakPolarHBondContact O-CG1 3.3Å; L575-I579 PolarHBondContact O-N 3.14Å; V576-I579 PolarHBondContact O-N 3.09Å; E577-I579 PolarHBondContact O-N 3.1Å; I579-L581 PolarHBondContact O-N 3.45Å; I579-L582 WeakPolarHBondContact O-CB 3.29Å; I579-L582 PolarHBondContact O-N 2.74Å; I579-C583 PolarHBondContact O-N 3.01Å; I579-C583 PolarHBondContact O-SG 2.73Å; I579-C583 VanDerWaalsContact O-SG 3.4Å
580	Y	85	Confident	72.9	Confident	151 Å²	151	92.7 Å²	92.7	59%	0.592	48%	0.479	S	S	*	.	H	α-helix	trans	-60.1	-46.1	176	178.5	-101.1	0	0	0	112	V576 E577 L582 C583 C584	V576-Y580 VanDerWaalsContact O-CB 3.26Å; V576-Y580 WeakPolarHBondContact O-CB 3.32Å; V576-Y580 PolarHBondContact O-N 2.9Å; E577-Y580 PolarHBondContact O-N 2.88Å; Y580-L582 VanDerWaalsContact C-N 3.32Å; Y580-L582 PolarHBondContact O-N 3.23Å; Y580-C583 PolarHBondContact O-N 3.39Å; Y580-C584 WeakPolarHBondContact CE2-SG 3.11Å; Y580-C584 WeakPolarHBondContact O-CB 3.48Å; Y580-C584 PolarHBondContact O-N 3.42Å
581	L	81.2	Confident	71.3	Confident	59 Å²	59	94.7 Å²	94.7	31%	0.309	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-29.7	175.2	-70.6	173.8	0	0	0	113.1	L63 E577 F578 I579 K585	L63-L581 HydrophobicContact CD2-CD1 4.46Å; E577-L581 HydrophobicContact CG-CD1 3.96Å; E577-L581 HydrophobicContact CG-CG 4.33Å; E577-L581 WeakPolarHBondContact O-CB 3.24Å; E577-L581 VanDerWaalsContact O-CG 3.27Å; E577-L581 WeakPolarHBondContact O-CG 3.44Å; E577-L581 PolarHBondContact O-N 3.25Å; F578-L581 PolarHBondContact O-N 3.01Å; I579-L581 PolarHBondContact O-N 3.45Å; L581-K585 WeakPolarHBondContact O-CB 3.36Å
582	L	79.3	Confident	69.6	Low	60 Å²	60	99.6 Å²	99.6	31%	0.314	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-52.3	171.6	-83.7	165.2	0	0	0	111.1	K60 F578 I579 Y580	K60-L582 HydrophobicContact CD-CD2 3.65Å; K60-L582 PolarHBondContact NZ-O 3.25Å; F578-L582 HydrophobicContact CD1-CD1 3.82Å; F578-L582 HydrophobicContact CE1-CD1 3.54Å; F578-L582 HydrophobicContact CE1-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 4.32Å; F578-L582 HydrophobicContact CE2-CG 4.44Å; F578-L582 HydrophobicContact CG-CD1 4.33Å; F578-L582 HydrophobicContact CZ-CD1 3.82Å; F578-L582 HydrophobicContact CZ-CG 4.34Å; F578-L582 WeakPolarHBondContact O-CB 3.5Å; F578-L582 VanDerWaalsContact O-CG 3.31Å; F578-L582 WeakPolarHBondContact O-CG 3.41Å; F578-L582 PolarHBondContact O-N 3.5Å; I579-L582 WeakPolarHBondContact O-CB 3.29Å; I579-L582 PolarHBondContact O-N 2.74Å; Y580-L582 VanDerWaalsContact C-N 3.32Å; Y580-L582 PolarHBondContact O-N 3.23Å
583	C	80.2	Confident	67.9	Low	77 Å²	77	99 Å²	99	52%	0.52	51%	0.512	S	S	.	.	H	α-helix	trans	-70	-61.6	-175.7	-69.1	0	0	0	0	112.8	I579 Y580 K585 N586	I579-C583 PolarHBondContact O-N 3.01Å; I579-C583 PolarHBondContact O-SG 2.73Å; I579-C583 VanDerWaalsContact O-SG 3.4Å; Y580-C583 PolarHBondContact O-N 3.39Å; C583-K585 PolarHBondContact O-N 2.86Å; C583-K585 VanDerWaalsContact O-N 3.14Å; C583-N586 PolarHBondContact O-N 3.04Å
584	C	70.7	Confident	66.2	Low	63 Å²	63	99.3 Å²	99.3	43%	0.426	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-28.4	-168.1	-66.8	0	0	0	0	113.5	Y580	Y580-C584 WeakPolarHBondContact CE2-SG 3.11Å; Y580-C584 WeakPolarHBondContact O-CB 3.48Å; Y580-C584 PolarHBondContact O-N 3.42Å
585	K	58	Low	64.6	Low	131 Å²	131	105 Å²	105	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-83.7	-11	-175.2	-139.5	165.9	-168	167.4	0	114.4	L581 C583	L581-K585 WeakPolarHBondContact O-CB 3.36Å; C583-K585 PolarHBondContact O-N 2.86Å; C583-K585 VanDerWaalsContact O-N 3.14Å
586	N	52	Low	63.2	Low	104 Å²	104	106.9 Å²	106.9	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-70.3	-42.8	172.2	-77.6	4.1	0	0	0	110.9	K60 C583 M588 K589	K60-N586 PolarHBondContact NZ-OD1 3.16Å; C583-N586 PolarHBondContact O-N 3.04Å; N586-M588 PolarHBondContact O-N 2.86Å; N586-K589 PolarHBondContact O-N 2.94Å
587	N	47.9	Very low	61.5	Low	139 Å²	139	108 Å²	108	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-64.1	-24.6	179.2	-66.4	-3.9	0	0	0	113	K589	N587-K589 PolarHBondContact O-N 3.19Å
588	M	47.5	Very low	60	Low	116 Å²	116	111.2 Å²	111.2	57%	0.571	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-10.7	-176.1	-151.4	-169.4	-168.1	0	0	114.6	N586 T591	N586-M588 PolarHBondContact O-N 2.86Å; M588-T591 PolarHBondContact O-OG1 3.1Å
589	K	45.5	Very low	58.6	Low	175 Å²	175	114 Å²	114	76%	0.761	58%	0.576	S	S	*	*	H	α-helix	trans	-76.2	-32.6	179.2	-81.6	-169.5	173.3	-174.9	0	113.4	N586 N587 T591	N586-K589 PolarHBondContact O-N 2.94Å; N587-K589 PolarHBondContact O-N 3.19Å; K589-T591 VanDerWaalsContact C-N 3.35Å; K589-T591 PolarHBondContact O-N 3.38Å
590	L	43.2	Very low	57.1	Low	146 Å²	146	117.1 Å²	117.1	76%	0.764	59%	0.591	S	S	*	*	H	α-helix	trans	-66.5	-35.6	-173.3	-150.9	72.9	0	0	0	112.6
591	T	47.9	Very low	55.6	Low	95 Å²	95	117.4 Å²	117.4	58%	0.583	60%	0.595	S	S	*	*	H	α-helix	trans	-80.3	-20.9	-175	50.7	0	0	0	0	114.7	M588 K589	M588-T591 PolarHBondContact O-OG1 3.1Å; K589-T591 VanDerWaalsContact C-N 3.35Å; K589-T591 PolarHBondContact O-N 3.38Å
592	K	48.9	Very low	54	Low	142 Å²	142	118 Å²	118	62%	0.617	60%	0.601	S	S	*	*	H	α-helix	trans	-78	-32.8	176.9	-82.6	-167.6	173.1	-173.8	0	113.6	N594 K595 N596	K592-N594 PolarHBondContact O-N 3.4Å; K592-K595 PolarHBondContact O-N 3.37Å; K592-N596 PolarHBondContact O-N 3.11Å
593	S	47.9	Very low	52.4	Low	83 Å²	83	120.9 Å²	120.9	58%	0.58	62%	0.617	S	S	*	*	H	α-helix	trans	-58.3	-48.2	178.4	-165.8	0	0	0	0	111.7	K595 N596 L597	S593-K595 VanDerWaalsContact C-N 3.29Å; S593-K595 PolarHBondContact O-N 2.96Å; S593-N596 PolarHBondContact O-N 3.46Å; S593-L597 PolarHBondContact O-N 2.96Å
594	N	50	Low	50.7	Low	111 Å²	111	128.1 Å²	128.1	59%	0.594	63%	0.633	S	S	*	*	H	α-helix	trans	-67.1	-21.5	-179.9	-76.5	-13.6	0	0	0	114.6	K592	K592-N594 PolarHBondContact O-N 3.4Å
595	K	52.2	Low	49.4	Very low	161 Å²	161	130.3 Å²	130.3	70%	0.7	65%	0.645	S	S	*	*	H	α-helix	trans	-77	-42.8	173.6	-79.1	-167	171.7	-172.4	0	111.9	K592 S593 L597 K598 L599	K592-K595 PolarHBondContact O-N 3.37Å; S593-K595 VanDerWaalsContact C-N 3.29Å; S593-K595 PolarHBondContact O-N 2.96Å; K595-L597 PolarHBondContact O-N 3.16Å; K595-K598 PolarHBondContact O-N 2.99Å; K595-L599 PolarHBondContact O-N 3.26Å
596	N	52.7	Low	48.5	Very low	108 Å²	108	132 Å²	132	58%	0.578	66%	0.655	S	S	*	*	H	α-helix	trans	-66.7	-38.1	179.2	-69.7	6.5	0	0	0	112	K592 S593 K598 L599 M600	K592-N596 PolarHBondContact O-N 3.11Å; S593-N596 PolarHBondContact O-N 3.46Å; N596-K598 VanDerWaalsContact C-N 3.29Å; N596-K598 PolarHBondContact O-N 3.33Å; N596-L599 PolarHBondContact O-N 2.89Å; N596-M600 PolarHBondContact O-N 3.09Å; N596-M600 VanDerWaalsContact O-N 3.13Å
597	L	50.8	Low	47.7	Very low	113 Å²	113	136.7 Å²	136.7	59%	0.592	67%	0.673	S	S	*	*	H	α-helix	trans	-67	-27	176.8	-167.2	66.6	0	0	0	113.2	S593 K595	S593-L597 PolarHBondContact O-N 2.96Å; K595-L597 PolarHBondContact O-N 3.16Å
598	K	54.3	Low	46.9	Very low	164 Å²	164	132.6 Å²	132.6	71%	0.713	66%	0.664	S	S	*	*	H	α-helix	trans	-74.5	-45.3	169.7	-78.3	-170.3	172.9	-170.2	0	111.8	K595 N596 M600 K601 T602	K595-K598 PolarHBondContact O-N 2.99Å; N596-K598 VanDerWaalsContact C-N 3.29Å; N596-K598 PolarHBondContact O-N 3.33Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 2.99Å; K598-K601 PolarHBondContact O-N 3.13Å; K598-T602 PolarHBondContact O-N 3.26Å
599	L	52.8	Low	46.2	Very low	111 Å²	111	132.5 Å²	132.5	58%	0.581	68%	0.675	S	S	*	*	H	α-helix	trans	-62.1	-35.1	-176.8	-151.9	75.7	0	0	0	113	K595 N596 K601 T602 N603	K595-L599 PolarHBondContact O-N 3.26Å; N596-L599 PolarHBondContact O-N 2.89Å; L599-K601 VanDerWaalsContact C-N 3.25Å; L599-K601 PolarHBondContact O-N 3.08Å; L599-T602 PolarHBondContact O-OG1 3.47Å; L599-N603 PolarHBondContact O-N 3.08Å; L599-N603 PolarHBondContact O-OD1 2.71Å
600	M	51	Low	45.3	Very low	150 Å²	150	135 Å²	135	74%	0.739	68%	0.681	S	S	*	*	H	α-helix	trans	-70.3	-14.7	174.3	-77.3	-174.2	163.6	0	0	114.6	N596 K598	N596-M600 PolarHBondContact O-N 3.09Å; N596-M600 VanDerWaalsContact O-N 3.13Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 2.99Å
601	K	53	Low	44.8	Very low	157 Å²	157	135 Å²	135	68%	0.683	68%	0.677	S	S	*	*	H	α-helix	trans	-90	-35.4	175.7	-72	-170.8	174.6	-171	0	112.8	K598 L599 R604 T605	K598-K601 PolarHBondContact O-N 3.13Å; L599-K601 VanDerWaalsContact C-N 3.25Å; L599-K601 PolarHBondContact O-N 3.08Å; K601-R604 PolarHBondContact O-N 3.46Å; K601-T605 PolarHBondContact O-OG1 3.33Å; K601-T605 VanDerWaalsContact O-OG1 3.1Å
602	T	48.1	Very low	44	Very low	72 Å²	72	137.5 Å²	137.5	44%	0.442	68%	0.68	S	S	.	*	H	α-helix	trans	-66.3	-39.2	175	38.7	0	0	0	0	112.5	K598 L599 R604 T605	K598-T602 PolarHBondContact O-N 3.26Å; L599-T602 PolarHBondContact O-OG1 3.47Å; T602-R604 PolarHBondContact O-N 3.36Å; T602-T605 PolarHBondContact O-N 2.96Å; T602-T605 PolarHBondContact O-OG1 2.72Å; T602-T605 VanDerWaalsContact O-OG1 3.06Å
603	N	46.4	Very low	43.3	Very low	120 Å²	120	139 Å²	139	64%	0.642	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	1.3	-178	-67.4	29.7	0	0	0	114.1	L599	L599-N603 PolarHBondContact O-N 3.08Å; L599-N603 PolarHBondContact O-OD1 2.71Å
604	R	43.2	Very low	42.4	Very low	229 Å²	229	142.9 Å²	142.9	86%	0.864	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	3.7	170.8	-82.5	-172.4	171.6	-176.1	-2	113.9	K601 T602	K601-R604 PolarHBondContact O-N 3.46Å; T602-R604 PolarHBondContact O-N 3.36Å
605	T	43.9	Very low	41.4	Very low	110 Å²	110	145.2 Å²	145.2	68%	0.675	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	-1.2	-175.8	27.1	0	0	0	0	114.7	K601 T602 Q607	K601-T605 PolarHBondContact O-OG1 3.33Å; K601-T605 VanDerWaalsContact O-OG1 3.1Å; T602-T605 PolarHBondContact O-N 2.96Å; T602-T605 PolarHBondContact O-OG1 2.72Å; T602-T605 VanDerWaalsContact O-OG1 3.06Å; T605-Q607 VanDerWaalsContact C-N 3.34Å; T605-Q607 PolarHBondContact O-N 3.09Å
606	Q	40.4	Very low	40.5	Very low	166 Å²	166	146.7 Å²	146.7	78%	0.776	72%	0.717	S	S	*	*			trans	-95	27.2	178.3	-65.8	-174.2	-48.1	0	0	113.9
607	Q	35.1	Very low	39.6	Very low	202 Å²	202	149.4 Å²	149.4	94%	0.944	73%	0.726	S	S	*	*	S	Bend	trans	-108.6	57.9	177.2	-155.8	165.9	4.3	0	0	110.5	T605	T605-Q607 VanDerWaalsContact C-N 3.34Å; T605-Q607 PolarHBondContact O-N 3.09Å
608	G	30.9	Very low	38.5	Very low	53 Å²	53	150.5 Å²	150.5	55%	0.546	73%	0.732	S	S	.	*	S	Bend	trans	174.3	147	177.6	0	0	0	0	0	111.4
609	S	31.2	Very low	37.5	Very low	115 Å²	115	154.6 Å²	154.6	80%	0.804	74%	0.743	S	S	*	*			trans	41.8	97.4	174.3	54.2	0	0	0	0	115.9
610	Y	28	Very low	36.3	Very low	227 Å²	227	159.3 Å²	159.3	89%	0.89	76%	0.755	S	S	*	*				50.6	131.7	61.1	-92.3	-81.6	0	0	0	115.8
611	E	31.4	Very low	35.4	Very low	146 Å²	146	160.1 Å²	160.1	68%	0.682	76%	0.762	S	S	*	*			trans	81.7	130.5	164	-72.8	-159.9	177.8	0	0	121.9
612	K	32.6	Very low	34.4	Very low	148 Å²	148	158 Å²	158	64%	0.643	76%	0.762	S	S	*	*			trans	71.5	145	154.4	-63.9	179.6	174.8	98.7	0	118.4
613	E	32.9	Very low	33.6	Very low	173 Å²	173	162.7 Å²	162.7	81%	0.808	79%	0.785	S	S	*	*			cis	-152.8	-177.3	-9.5	-122.7	149.5	-155.2	0	0	110.1
614	E	29.6	Very low	32.8	Very low	164 Å²	164	164.6 Å²	164.6	77%	0.766	79%	0.79	S	S	*	*			trans	-119.9	164.4	-163.2	-150.4	178.5	-151.1	0	0	114.4
615	M	29	Very low	32.3	Very low	160 Å²	160	162 Å²	162	79%	0.788	79%	0.785	S	S	*	*			trans	70.6	122.9	164.4	-65.9	-177.3	-80.6	0	0	121.1
616	E	33.5	Very low	31.7	Very low	192 Å²	192	166.4 Å²	166.4	90%	0.897	80%	0.795	S	S	*	*				153.3	153.1	123.4	-84.1	-160.4	152.3	0	0	109.4
617	H	33.7	Very low	31.1	Very low	165 Å²	165	166.1 Å²	166.1	76%	0.764	80%	0.798	S	S	*	*			cis	-177.7	155	-29.9	-175.1	-77.9	0	0	0	104
618	N	28.4	Very low	31	Very low	137 Å²	137	162.1 Å²	162.1	73%	0.733	79%	0.792	S	S	*	*			trans	-58.7	145.5	-173.1	-62.6	-54.8	0	0	0	116
619	R	31.9	Very low	31.1	Very low	250 Å²	250	164.1 Å²	164.1	94%	0.943	80%	0.804	S	S	*	*			trans	-151.7	135	140.6	-122.8	175	-169.9	173.3	4.8	114.1
620	Y	27.9	Very low	31	Very low	210 Å²	210	166.2 Å²	166.2	82%	0.824	80%	0.804	S	S	*	*			trans	-77.2	157.2	166.2	-84.6	-113.1	0	0	0	110.8
621	N	33	Very low	31.4	Very low	166 Å²	166	160.4 Å²	160.4	89%	0.888	79%	0.794	S	S	*	*				-166.3	160.4	118.3	-103.8	-14.1	0	0	0	114.3
622	V	30.5	Very low	31.3	Very low	113 Å²	113	160.3 Å²	160.3	69%	0.685	80%	0.798	S	S	*	*			trans	-97.1	156	-178.4	174.1	0	0	0	0	110.4
623	N	32.3	Very low	31.3	Very low	171 Å²	171	161.1 Å²	161.1	91%	0.914	81%	0.809	S	S	*	*			trans	-160.4	156.7	141	-99.8	-31.1	0	0	0	112.2
624	E	30.2	Very low	31.2	Very low	160 Å²	160	160 Å²	160	75%	0.748	80%	0.804	S	S	*	*			trans	-129.1	-166.5	-163.6	-156.5	-172.1	174.7	0	0	111.3
625	F	31.3	Very low	31.4	Very low	173 Å²	173	161.3 Å²	161.3	76%	0.759	81%	0.81	S	S	*	*			trans	73.9	139.7	178	-72.3	-96.7	0	0	0	115.9
626	K	31.8	Very low	31.3	Very low	203 Å²	203	158.6 Å²	158.6	88%	0.883	81%	0.805	S	S	*	*			cis	-146.2	177	35.7	-131.6	156.6	-167.2	175.7	0	114.4
627	L	28.5	Very low	31.1	Very low	161 Å²	161	158 Å²	158	84%	0.843	80%	0.802	S	S	*	*			trans	-115	176.8	-163.9	-168	65.7	0	0	0	113.5
628	S	32.2	Very low	31	Very low	117 Å²	117	159.7 Å²	159.7	82%	0.818	80%	0.803	S	S	*	*			trans	96.3	146.5	166.8	81.7	0	0	0	0	116.3
629	A	33.5	Very low	31	Very low	96 Å²	96	162 Å²	162	79%	0.793	81%	0.809	S	S	*	*			cis	-145.2	176.9	0.8	0	0	0	0	0	112.6
630	I	29.4	Very low	31	Very low	159 Å²	159	157.4 Å²	157.4	82%	0.815	80%	0.798	S	S	*	*			trans	-146.6	137.2	-169.5	-38.6	170.5	0	0	0	105.5
631	P	35	Very low	31.1	Very low	105 Å²	105	154.8 Å²	154.8	68%	0.682	79%	0.793	S	S	*	*				-159.6	176.3	71.5	45.1	-23.2	0	0	0	120.2
632	N	29.5	Very low	30.8	Very low	143 Å²	143	154.3 Å²	154.3	77%	0.765	79%	0.786	S	S	*	*			trans	46.9	126.7	144.5	-60	-3.2	0	0	0	123.3
633	N	32.8	Very low	30.7	Very low	165 Å²	165	160 Å²	160	88%	0.882	80%	0.797	S	S	*	*				-153	152	110.9	-136.6	-16.8	0	0	0	113
634	H	32.3	Very low	30.4	Very low	149 Å²	149	158.6 Å²	158.6	69%	0.69	78%	0.784	S	S	*	*			trans	-94	144.3	-179.6	-85.8	-97	0	0	0	112.7
635	H	32.1	Very low	30.3	Very low	192 Å²	192	158.1 Å²	158.1	89%	0.889	78%	0.782	S	S	*	*			trans	-157.5	140.9	131.6	-113.9	65.2	0	0	0	111.2
636	C	28.6	Very low	30.1	Very low	103 Å²	103	157.1 Å²	157.1	70%	0.696	78%	0.78	S	S	*	*			trans	-107.6	151.2	-178.8	-67	0	0	0	0	111.5
637	H	28.5	Very low	29.9	Very low	181 Å²	181	155.8 Å²	155.8	84%	0.838	78%	0.777	S	S	*	*			trans	-65.9	145.2	162.8	-88.3	-110.7	0	0	0	110.8
638	Y	30.8	Very low	29.6	Very low	200 Å²	200	154 Å²	154	78%	0.784	78%	0.776	S	S	*	*			trans	-138.1	114.5	149.2	-111.1	-89.5	0	0	0	109.6	H640	Y638-H640 AromaticContact CE1-CD2 3.88Å
639	H	30	Very low	29.3	Very low	184 Å²	184	155.6 Å²	155.6	85%	0.852	77%	0.771	S	S	*	*			trans	-140.6	107.1	163.7	-126.8	-77.5	0	0	0	105.5
640	H	31.2	Very low	28.9	Very low	155 Å²	155	158.9 Å²	158.9	72%	0.718	77%	0.767	S	S	*	*			trans	-118.8	119.2	-173.3	-136.2	-77.6	0	0	0	108.7	Y638	Y638-H640 AromaticContact CE1-CD2 3.88Å
641	H	30.5	Very low	28.6	Very low	155 Å²	155	159.2 Å²	159.2	72%	0.718	76%	0.763	S	S	*	*			trans	-121.3	124	166.6	-126.4	-90.3	0	0	0	108.8
642	Q	25.8	Very low	28.2	Very low	156 Å²	156	164.2 Å²	164.2	73%	0.729	77%	0.769	S	S	*	*			trans	22	124.3	154.3	-63.3	167.1	-37.4	0	0	118.6
643	Y	29.4	Very low	28	Very low	233 Å²	233	164.4 Å²	164.4	91%	0.914	77%	0.765	S	S	*	*			trans	-123.3	139.1	134.2	-122.8	-95.8	0	0	0	109.8
644	Q	24.5	Very low	27.7	Very low	141 Å²	141	164.1 Å²	164.1	66%	0.659	76%	0.761	S	S	*	*			trans	-81.1	146.5	166.8	-56.4	176.4	-66.1	0	0	108.2
645	Q	27.9	Very low	27.4	Very low	150 Å²	150	164 Å²	164	70%	0.701	76%	0.761	S	S	*	*				168.1	140.4	110.9	-92.6	178.2	22.1	0	0	114.6
646	Q	28	Very low	27.1	Very low	152 Å²	152	159.7 Å²	159.7	71%	0.71	75%	0.751	S	S	*	*			trans	77.4	151.3	138.3	-73.6	177.9	21.8	0	0	122.9
647	Q	27.7	Very low	27	Very low	174 Å²	174	160.4 Å²	160.4	81%	0.813	75%	0.748	S	S	*	*			trans	74.1	98.3	159.8	-73.4	175.5	21	0	0	119.7
648	C	21	Very low	27	Very low	123 Å²	123	158.1 Å²	158.1	83%	0.831	74%	0.742	S	S	*	*			trans	-62.7	140	153.3	-34.1	0	0	0	0	110.7
649	Q	25.8	Very low	26.9	Very low	152 Å²	152	154.4 Å²	154.4	71%	0.71	74%	0.736	S	S	*	*				175.4	152	113.6	-97.6	-171.4	18.7	0	0	113
650	K	26.3	Very low	26.8	Very low	165 Å²	165	151 Å²	151	72%	0.717	72%	0.724	S	S	*	*			trans	74.5	110.9	152.8	-75	159	178.3	147.3	0	120.3
651	F	23.2	Very low	26.7	Very low	166 Å²	166	150.5 Å²	150.5	73%	0.728	73%	0.727	S	S	*	*				49.4	109.6	113.8	-89	-91.6	0	0	0	118.4
652	W	26.8	Very low	26.6	Very low	210 Å²	210	148 Å²	148	80%	0.795	73%	0.726	S	S	*	*				-166.8	167.1	82.7	-105.4	94	0	0	0	112.2
653	Q	25	Very low	26.6	Very low	147 Å²	147	146.9 Å²	146.9	69%	0.687	73%	0.725	S	S	*	*			trans	-84.4	-176	-178.9	-62	149.8	-83.8	0	0	112.8
654	I	26.1	Very low	26.5	Very low	158 Å²	158	142 Å²	142	81%	0.81	72%	0.715	S	S	*	*			trans	117.1	129.8	166.7	-67.6	162.4	0	0	0	111.8
655	H	25.9	Very low	26.7	Very low	147 Å²	147	140.9 Å²	140.9	68%	0.681	71%	0.714	S	S	*	*			cis	-169.6	173.3	-19.3	-154.3	-82.5	0	0	0	108.4
656	C	26.3	Very low	26.7	Very low	101 Å²	101	138.9 Å²	138.9	68%	0.682	71%	0.708	S	S	*	*			trans	74.2	149.6	160.5	-57.4	0	0	0	0	119.1
657	D	26.8	Very low	26.6	Very low	118 Å²	118	134.6 Å²	134.6	63%	0.631	70%	0.695	S	S	*	*			cis	-173	152	-31.5	-105.6	-7.8	0	0	0	109.9
658	N	28.3	Very low	26.6	Very low	134 Å²	134	129.1 Å²	129.1	72%	0.717	67%	0.671	S	S	*	*			trans	67.1	152.2	159.6	-62.7	-39.2	0	0	0	117.6
659	N	28.4	Very low	27.1	Very low	121 Å²	121	125.1 Å²	125.1	65%	0.647	64%	0.641	S	S	*	*			cis	-155.1	153.4	11.4	-137.2	-12.8	0	0	0	114.8
660	N	28.8	Very low	27.3	Very low	114 Å²	114	119.3 Å²	119.3	61%	0.61	62%	0.615	S	S	*	*			trans	65.2	114.1	149.7	-68	-32.6	0	0	0	123.7
661	N	28.3	Very low	27.6	Very low	144 Å²	144	112.3 Å²	112.3	77%	0.77	59%	0.585	S	S	*	*				69.3	110	122.9	-59.2	-12.5	0	0	0	121.4
662	S	27.4	Very low	28.1	Very low	102 Å²	102	107.7 Å²	107.7	71%	0.713	57%	0.568	S	S	*	*				154.3	101.3	87.2	-179.7	0	0	0	0	113.6
663	N	27.6	Very low	28.3	Very low	132 Å²	132	100.3 Å²	100.3	71%	0.706	54%	0.544	S	S	*	.			trans	51.3	119.1	140.1	-62.4	2.3	0	0	0	121.2
664	N	27.5	Very low	28.6	Very low	131 Å²	131	95.2 Å²	95.2	70%	0.701	52%	0.522	S	S	*	.				75.6	139.1	126.2	-59.9	13.4	0	0	0	118.7
665	N	27.8	Very low	28.8	Very low	118 Å²	118	93.9 Å²	93.9	63%	0.631	51%	0.512	S	S	*	.			cis	-152.1	152.5	-10.1	-122.3	-0.5	0	0	0	111.8
666	N	27.6	Very low	29	Very low	108 Å²	108	91.8 Å²	91.8	58%	0.578	50%	0.503	S	S	*	.			trans	18.2	137	142.4	-71.4	8.8	0	0	0	120.6
667	S	27.2	Very low	29	Very low	61 Å²	61	91.8 Å²	91.8	43%	0.427	50%	0.495	S	S	.	.			cis	76.6	146	41.2	-52.8	0	0	0	0	116.1
668	N	26.8	Very low	28.8	Very low	60 Å²	60	90.3 Å²	90.3	32%	0.321	49%	0.494	S	S	.	.			cis	-169.6	-172.1	-27.5	-96.9	-17.1	0	0	0	112.1	S220 T221 V222	S220-N668 VanDerWaalsContact CB-ND2 3.33Å; S220-N668 WeakPolarHBondContact CB-ND2 3.42Å; S220-N668 PolarHBondContact OG-ND2 3.4Å; T221-N668 VanDerWaalsContact C-OD1 3.25Å; T221-N668 VanDerWaalsContact N-CB 3.27Å; T221-N668 PolarHBondContact N-ND2 3.18Å; T221-N668 CarbonylContact O-C 3.6Å; T221-N668 VanDerWaalsContact O-CA 3.25Å; T221-N668 WeakPolarHBondContact O-CA 3.21Å; T221-N668 WeakPolarHBondContact O-CB 3.43Å; T221-N668 PolarHBondContact O-OD1 3Å; V222-N668 VanDerWaalsContact CA-OD1 3.23Å; V222-N668 WeakPolarHBondContact CA-OD1 3.31Å; V222-N668 VanDerWaalsContact CG2-OD1 3.3Å; V222-N668 WeakPolarHBondContact CG2-OD1 3.33Å
669	D	30.5	Very low	28.7	Very low	38 Å²	38	89.6 Å²	89.6	20%	0.203	49%	0.494	C	S	.	.			trans	-111.2	-139.5	-152.4	68.7	-176.4	0	0	0	118.1	M214 L215 T221 V222 V223	M214-D669 WeakPolarHBondContact CA-OD1 3.34Å; M214-D669 HydrophobicContact CB-CB 4.31Å; M214-D669 WeakPolarHBondContact CB-OD1 3.39Å; L215-D669 PolarHBondContact N-OD1 2.67Å; L215-D669 VanDerWaalsContact N-OD1 3.14Å; T221-D669 WeakPolarHBondContact CA-OD2 3.33Å; T221-D669 WeakPolarHBondContact CB-OD2 3.39Å; T221-D669 WeakPolarHBondContact O-CB 3.35Å; T221-D669 PolarHBondContact O-N 2.87Å; T221-D669 PolarHBondContact OG1-N 3.15Å; T221-D669 PolarHBondContact OG1-OD2 2.75Å; V222-D669 PolarHBondContact N-OD1 3.23Å; V223-D669 HydrophobicContact CB-CB 4.23Å; V223-D669 HydrophobicContact CG2-CB 3.22Å; V223-D669 PolarHBondContact N-OD1 2.9Å
670	N	31.3	Very low	28.5	Very low	30 Å²	30	90.5 Å²	90.5	16%	0.16	50%	0.5	C	S	.	.			cis	-158.2	178	21.9	-146.1	-57.9	0	0	0	113.9	M214 L215 Y216	M214-N670 VanDerWaalsContact CB-OD1 3.29Å; M214-N670 WeakPolarHBondContact CB-OD1 3.43Å; L215-N670 WeakPolarHBondContact CA-ND2 3.3Å; L215-N670 PolarHBondContact N-ND2 2.97Å; L215-N670 PolarHBondContact O-ND2 3.38Å; Y216-N670 WeakPolarHBondContact CA-ND2 3.23Å; Y216-N670 HydrophobicContact CD2-CB 3.32Å; Y216-N670 WeakPolarHBondContact CD2-ND2 3.35Å; Y216-N670 HydrophobicContact CE2-CB 3.56Å; Y216-N670 HydrophobicContact CG-CB 4.38Å; Y216-N670 PolarHBondContact N-ND2 3.11Å; Y216-N670 VanDerWaalsContact N-ND2 3.18Å
671	N	32.8	Very low	28.2	Very low	18 Å²	18	93.7 Å²	93.7	10%	0.096	51%	0.511	C	S	.	.			trans	54.3	-148.7	152.5	-61.7	-60.5	0	0	0	109.7	M214 Y216 R264 I266 Y529	M214-N671 VanDerWaalsContact CE-O 3.24Å; M214-N671 WeakPolarHBondContact CE-O 3.06Å; M214-N671 PolarHBondContact SD-N 2.73Å; Y216-N671 VanDerWaalsContact CD2-ND2 3.26Å; Y216-N671 WeakPolarHBondContact CD2-ND2 3.45Å; Y216-N671 VanDerWaalsContact CG-ND2 3.3Å; R264-N671 WeakPolarHBondContact CD-ND2 3.3Å; I266-N671 HydrophobicContact CB-CB 4.48Å; I266-N671 VanDerWaalsContact CB-OD1 3.22Å; I266-N671 WeakPolarHBondContact CB-OD1 3.3Å; I266-N671 HydrophobicContact CD1-CB 3.44Å; I266-N671 VanDerWaalsContact CD1-CB 3.44Å; I266-N671 WeakPolarHBondContact CD1-OD1 3.28Å; I266-N671 HydrophobicContact CG1-CB 4.4Å; I266-N671 WeakPolarHBondContact CG1-OD1 3.15Å; Y529-N671 PolarHBondContact OH-O 3.28Å
672	N	33.1	Very low	28	Very low	69 Å²	69	94.7 Å²	94.7	37%	0.369	51%	0.514	S	S	.	.			cis	-150.6	141.1	-15.3	-137.6	-13.2	0	0	0	112.4	R264 I266 Y529	R264-N672 PolarHBondContact NE-OD1 3.1Å; R264-N672 PolarHBondContact NH1-ND2 2.76Å; R264-N672 PolarHBondContact NH1-OD1 2.87Å; R264-N672 PolarHBondContact NH2-OD1 3.06Å; I266-N672 WeakPolarHBondContact CD1-OD1 3.36Å; Y529-N672 WeakPolarHBondContact OH-CA 3.45Å; Y529-N672 PolarHBondContact OH-N 2.88Å
673	N	32	Very low	27.9	Very low	55 Å²	55	97.1 Å²	97.1	29%	0.294	52%	0.518	S	S	.	.			trans	53.3	162	146.5	-71.4	19.1	0	0	0	120.9	R264 M320 E322	R264-N673 PolarHBondContact NH2-ND2 2.87Å; R264-N673 PolarHBondContact NH2-OD1 3.23Å; M320-N673 VanDerWaalsContact CE-CA 3.48Å; M320-N673 WeakPolarHBondContact SD-CA 3.32Å; M320-N673 PolarHBondContact SD-N 2.88Å; E322-N673 PolarHBondContact OE2-ND2 2.88Å; E322-N673 PolarHBondContact OE2-OD1 2.96Å
674	N	30.6	Very low	27.8	Very low	41 Å²	41	94.9 Å²	94.9	22%	0.219	51%	0.511	C	S	.	.			cis	-140.4	-143.7	-28.3	-97.6	-3.3	0	0	0	106.7	S457	S457-N674 CarbonylContact O-C 3.47Å
675	E	30.9	Very low	27.7	Very low	129 Å²	129	95.3 Å²	95.3	60%	0.603	51%	0.513	S	S	*	.			cis	-167.3	143.1	1.5	-143.6	130.8	-101.6	0	0	106.3	T456 S457	T456-E675 VanDerWaalsContact CB-CA 3.44Å; S457-E675 PolarHBondContact O-N 3.28Å; S457-E675 VanDerWaalsContact O-N 3.09Å; S457-E675 VanDerWaalsContact OG-C 3.27Å; S457-E675 PolarHBondContact OG-O 2.95Å
676	E	28.9	Very low	27.6	Very low	103 Å²	103	93.7 Å²	93.7	48%	0.481	51%	0.51	S	S	.	.			cis	-149.3	-168.7	-10.1	-144.3	-134.9	113.8	0	0	111.3	R319 V455 T456 S457	R319-E676 PolarHBondContact NH1-O 3.25Å; V455-E676 CarbonylContact O-C 3.55Å; T456-E676 VanDerWaalsContact CA-CA 3.42Å; T456-E676 VanDerWaalsContact CB-CA 3.44Å; T456-E676 HydrophobicContact CG2-CB 4.47Å; T456-E676 HydrophobicContact CG2-CG 4.02Å; S457-E676 PolarHBondContact N-O 3.47Å; S457-E676 PolarHBondContact OG-N 3.49Å; S457-E676 PolarHBondContact OG-O 3.24Å; S457-E676 VanDerWaalsContact OG-O 3.12Å
677	I	26.3	Very low	27.6	Very low	102 Å²	102	98.4 Å²	98.4	52%	0.523	53%	0.525	S	S	.	.			trans	87.1	134.4	140.5	-79.5	163.1	0	0	0	126.7	R319 V455	R319-I677 PolarHBondContact NH1-O 2.79Å; R319-I677 VanDerWaalsContact NH1-O 3.1Å; R319-I677 PolarHBondContact NH2-O 2.82Å; R319-I677 VanDerWaalsContact NH2-O 3.14Å; V455-I677 PolarHBondContact O-N 3.33Å; V455-I677 VanDerWaalsContact O-N 3.17Å
678	S	23.9	Very low	27.6	Very low	87 Å²	87	100.6 Å²	100.6	61%	0.608	54%	0.537	S	S	*	.			trans	87.1	115.7	144.1	69.3	0	0	0	0	127.6
679	T	24.6	Very low	27.6	Very low	118 Å²	118	105.6 Å²	105.6	72%	0.724	56%	0.562	S	S	*	*				92.2	122.6	125.3	49.2	0	0	0	0	125
680	N	24.6	Very low	27.4	Very low	141 Å²	141	108.6 Å²	108.6	75%	0.754	58%	0.582	S	S	*	*			trans	82.7	108.8	138	-62.7	7.5	0	0	0	122.1
681	E	22.5	Very low	27.2	Very low	180 Å²	180	113.6 Å²	113.6	84%	0.841	61%	0.608	S	S	*	*			trans	14.1	121.6	137.5	-55.8	-177.5	135.4	0	0	119.8
682	I	25.2	Very low	26.8	Very low	165 Å²	165	119.4 Å²	119.4	85%	0.846	64%	0.64	S	S	*	*				-168.7	138.6	117.1	-96	152.4	0	0	0	108.8
683	I	23.7	Very low	26.5	Very low	154 Å²	154	123.2 Å²	123.2	79%	0.79	66%	0.66	S	S	*	*			trans	-104.9	126.9	-178	-58.6	168.2	0	0	0	110.2
684	P	25.7	Very low	26.3	Very low	85 Å²	85	130.1 Å²	130.1	55%	0.552	69%	0.69	S	S	*	*			trans	-111	128.9	156.7	33.9	-24.6	0	0	0	111.5
685	N	25.9	Very low	26	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	72%	0.715	S	S	*	*			trans	-70.6	137.1	176.6	-67.4	-36.2	0	0	0	111.4	F687	N685-F687 PolarHBondContact O-N 2.99Å
686	C	25.8	Very low	25.9	Very low	84 Å²	84	136.3 Å²	136.3	57%	0.568	73%	0.728	S	S	*	*			trans	-68.6	126.4	162.9	-74.4	0	0	0	0	109.7	T688	C686-T688 PolarHBondContact O-N 2.65Å
687	F	26.5	Very low	25.8	Very low	206 Å²	206	137.8 Å²	137.8	90%	0.904	74%	0.739	S	S	*	*			trans	-67.1	97.7	173.3	-93	-100.9	0	0	0	110.5	N685	N685-F687 PolarHBondContact O-N 2.99Å
688	T	28	Very low	26	Very low	108 Å²	108	142.3 Å²	142.3	66%	0.663	76%	0.758	S	S	*	*			trans	-102.7	143	148.7	52	0	0	0	0	107.5	C686 V690	C686-T688 PolarHBondContact O-N 2.65Å; T688-V690 VanDerWaalsContact C-N 3.31Å; T688-V690 PolarHBondContact O-N 2.99Å
689	L	26.4	Very low	26.1	Very low	165 Å²	165	143 Å²	143	86%	0.864	76%	0.762	S	S	*	*			trans	-73.1	85.4	-178.5	-77	164.6	0	0	0	110.3	N691	L689-N691 PolarHBondContact O-N 3.07Å
690	V	25.9	Very low	26.3	Very low	101 Å²	101	145.4 Å²	145.4	61%	0.612	77%	0.769	S	S	*	*			trans	-72.6	106	174.6	178.2	0	0	0	0	109.3	T688 N692	T688-V690 VanDerWaalsContact C-N 3.31Å; T688-V690 PolarHBondContact O-N 2.99Å; V690-N692 PolarHBondContact O-N 2.79Å; V690-N692 VanDerWaalsContact O-N 3.14Å
691	N	26.9	Very low	26.4	Very low	134 Å²	134	146.3 Å²	146.3	72%	0.717	77%	0.771	S	S	*	*			trans	-68.7	103.3	161.4	-101.3	-34.6	0	0	0	108.6	L689 N693	L689-N691 PolarHBondContact O-N 3.07Å; N691-N693 PolarHBondContact O-N 2.95Å; N691-N693 VanDerWaalsContact O-N 3.13Å
692	N	24.3	Very low	26.8	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	77%	0.773	S	S	*	*			trans	-61.4	111.8	178.2	-75	-26.8	0	0	0	111.1	V690	V690-N692 PolarHBondContact O-N 2.79Å; V690-N692 VanDerWaalsContact O-N 3.14Å
693	N	27	Very low	27.1	Very low	148 Å²	148	143.1 Å²	143.1	79%	0.791	77%	0.767	S	S	*	*			trans	-158.7	52.1	165.5	-105.8	-33.5	0	0	0	111.2	N691 N695	N691-N693 PolarHBondContact O-N 2.95Å; N691-N693 VanDerWaalsContact O-N 3.13Å; N693-N695 PolarHBondContact O-N 3.16Å
694	E	28.1	Very low	27.3	Very low	200 Å²	200	142.6 Å²	142.6	94%	0.935	76%	0.764	S	S	*	*			trans	-84.2	84.9	165	-70.6	-164.6	143.7	0	0	110.2
695	N	25.3	Very low	27.7	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	78%	0.776	S	S	*	*			trans	-101.8	107	148.5	-84.5	-45.4	0	0	0	107.1	N693	N693-N695 PolarHBondContact O-N 3.16Å
696	D	29.2	Very low	27.9	Very low	163 Å²	163	146.1 Å²	146.1	87%	0.872	78%	0.778	S	S	*	*				-156.2	147.4	129.1	-119.7	-31.6	0	0	0	112.8
697	N	26.4	Very low	28.3	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	79%	0.787	S	S	*	*			trans	-98.2	127.7	-176	-64.8	-96.6	0	0	0	110.2
698	Q	30.8	Very low	28.8	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	78%	0.78	S	S	*	*				-160.5	129.1	127.6	-112.2	153.1	64.1	0	0	114
699	S	24.5	Very low	29.4	Very low	101 Å²	101	145 Å²	145	71%	0.706	78%	0.783	S	S	*	*			trans	-82.1	157.7	174.2	52.7	0	0	0	0	111.8
700	I	29.5	Very low	29.8	Very low	170 Å²	170	145 Å²	145	87%	0.872	78%	0.778	S	S	*	*				-156.9	140.8	122.1	-100.1	150.1	0	0	0	108.5
701	M	26.4	Very low	30.6	Very low	159 Å²	159	151.7 Å²	151.7	78%	0.783	81%	0.81	S	S	*	*			trans	-85.6	157.9	-173.3	-55.2	168.6	178.4	0	0	112.1
702	T	31.8	Very low	30.7	Very low	144 Å²	144	152.6 Å²	152.6	88%	0.883	82%	0.815	S	S	*	*				-161.4	142.8	113.6	7.6	0	0	0	0	113.7
703	N	31.5	Very low	31.1	Very low	134 Å²	134	153.2 Å²	153.2	72%	0.717	82%	0.818	S	S	*	*			trans	-56.8	145.5	-175.1	-56	-16	0	0	0	113
704	I	27.9	Very low	31.3	Very low	143 Å²	143	153.5 Å²	153.5	73%	0.733	82%	0.82	S	S	*	*				69.8	99.6	53.1	-56.5	172.2	0	0	0	114.2
705	T	32.9	Very low	31.5	Very low	130 Å²	130	150.8 Å²	150.8	80%	0.798	81%	0.813	S	S	*	*			trans	-171	122.4	138.4	27.6	0	0	0	0	105.9
706	Q	31.8	Very low	31.9	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.794	82%	0.818	S	S	*	*				54.3	125	62.3	-71.2	-173.6	-18.6	0	0	112.6
707	T	34.2	Very low	32.1	Very low	125 Å²	125	150.9 Å²	150.9	77%	0.767	82%	0.815	S	S	*	*			cis	-152.3	167.5	11.6	10.2	0	0	0	0	110.6
708	P	35.5	Very low	32.5	Very low	114 Å²	114	152.1 Å²	152.1	74%	0.74	82%	0.822	S	S	*	*			trans	-90.9	170.3	-174.9	38	-36.5	0	0	0	114.2
709	N	40.5	Very low	32.6	Very low	136 Å²	136	148.6 Å²	148.6	73%	0.727	81%	0.814	S	S	*	*			trans	-161	137.8	148.9	-120.5	41.9	0	0	0	112.7
710	E	36.1	Very low	33.3	Very low	163 Å²	163	152.6 Å²	152.6	76%	0.762	82%	0.823	S	S	*	*			trans	45.6	97	143.6	-62.1	169.3	154.1	0	0	121.2
711	N	41.1	Very low	33.6	Very low	243 Å²	243	151 Å²	151	100%	1.299	82%	0.819	S	S	*	*				-163.3	0	108.9	-98.3	-33.1	0	0	0	110.6

Retrieved 711 of 711 residues in 943.7 ms (Link to these results)

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