A0A077ZB91_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077ZB91, Species TRITR (Trichuris trichiura, Whipworm), 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	37.6	Very low	39.7	Very low	235 Å²	235	140.7 Å²	140.7	100%	1.158	85%	0.845	S	S	*	*				0	69.7	0	-67.6	174.9	175	0	0	106.3
2	T	37.3	Very low	39.8	Very low	133 Å²	133	144.4 Å²	144.4	82%	0.816	85%	0.846	S	S	*	*				88.1	86.8	91.2	44.1	0	0	0	0	110.1
3	A	37.8	Very low	39.5	Very low	109 Å²	109	142.8 Å²	142.8	90%	0.901	84%	0.843	S	S	*	*				80.9	138.5	74.4	0	0	0	0	0	112
4	G	36.3	Very low	39.6	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	85%	0.847	S	S	*	*			cis	177.3	149.1	5.2	0	0	0	0	0	109
5	K	38.7	Very low	39.1	Very low	207 Å²	207	146.5 Å²	146.5	90%	0.9	85%	0.847	S	S	*	*				58	138.9	117.4	-80.9	-162.9	172.5	-177.8	0	116.8
6	V	38	Very low	39.1	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	85%	0.85	S	S	*	*			cis	179.5	169.1	8.5	125.8	0	0	0	0	106.4
7	P	46.5	Very low	38.9	Very low	116 Å²	116	148.9 Å²	148.9	75%	0.753	85%	0.851	S	S	*	*			trans	-111.3	-174.6	-144.2	42.7	-32.8	0	0	0	115.5
8	S	44.3	Very low	38.4	Very low	122 Å²	122	151.2 Å²	151.2	85%	0.853	85%	0.853	S	S	*	*			trans	-158.8	145.4	158.9	59.1	0	0	0	0	113.1
9	E	38.6	Very low	38.6	Very low	191 Å²	191	149.5 Å²	149.5	89%	0.893	85%	0.849	S	S	*	*			trans	-64.9	171.4	-164.1	-86.5	171.1	155.1	0	0	120.2
10	P	38.3	Very low	38.6	Very low	116 Å²	116	148 Å²	148	75%	0.753	85%	0.845	S	S	*	*			trans	-101.2	171.5	-164.1	40.4	-32.4	0	0	0	114.2
11	P	43.5	Very low	38.4	Very low	129 Å²	129	147.4 Å²	147.4	84%	0.838	85%	0.847	S	S	*	*			trans	-109.5	149.8	165.9	34.3	-21.6	0	0	0	114.3
12	E	40.5	Very low	38.5	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	83%	0.833	S	S	*	*			trans	-64	166	-176.5	-75	177	153.2	0	0	116.6
13	P	35.7	Very low	38.4	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	83%	0.826	S	S	*	*			trans	-87.6	144.8	-174.6	35.4	-31	0	0	0	112.6
14	M	41	Very low	38.3	Very low	183 Å²	183	144.2 Å²	144.2	90%	0.901	82%	0.819	S	S	*	*			trans	-104.1	135.8	173.4	-75.5	-166.2	-58	0	0	112.2
15	D	32.3	Very low	38.2	Very low	158 Å²	158	148 Å²	148	85%	0.845	82%	0.824	S	S	*	*			trans	-53.9	143.8	173.5	-61	-60.4	0	0	0	114.1
16	V	39	Very low	38.1	Very low	146 Å²	146	143.7 Å²	143.7	89%	0.885	82%	0.82	S	S	*	*			trans	-137.1	121.1	160.7	-173.3	0	0	0	0	109.9
17	E	36.1	Very low	37.9	Very low	187 Å²	187	143.6 Å²	143.6	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.9	148.7	-174.6	-64.9	168.5	128.3	0	0	115
18	E	30	Very low	37.4	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-72.9	145.5	166.1	-73.7	-177.2	144.6	0	0	112.5
19	P	42.6	Very low	36.9	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-97.9	155.3	164	35.5	-27.8	0	0	0	112.9
20	P	37.4	Very low	36.5	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.8	167.7	-164.2	36.7	-36	0	0	0	114.3
21	P	34	Very low	36.4	Very low	136 Å²	136	143.9 Å²	143.9	88%	0.883	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.2	138.3	-176.4	34.6	-30.4	0	0	0	112.7
22	G	41.3	Very low	35.8	Very low	83 Å²	83	146.7 Å²	146.7	86%	0.856	83%	0.828	S	S	*	*			trans	-131.4	123.8	-177.9	0	0	0	0	0	114
23	D	34.7	Very low	35.5	Very low	127 Å²	127	147.1 Å²	147.1	68%	0.679	83%	0.83	S	S	*	*			trans	-53.1	148.5	-172.7	-126.7	-6.9	0	0	0	120.2
24	R	35.8	Very low	35.2	Very low	200 Å²	200	148.8 Å²	148.8	76%	0.755	83%	0.832	S	S	*	*			trans	68.1	123	133.6	-81.6	165.5	-155.4	-159.3	0.4	125
25	N	35	Very low	34.8	Very low	145 Å²	145	147.4 Å²	147.4	78%	0.775	83%	0.828	S	S	*	*			trans	59.3	115.3	130.3	-73.7	-3.8	0	0	0	121.1
26	S	35.7	Very low	34.7	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	83%	0.826	S	S	*	*				159.8	151.8	100.7	-62.3	0	0	0	0	112.1
27	P	34.5	Very low	34.1	Very low	123 Å²	123	147 Å²	147	80%	0.799	82%	0.821	S	S	*	*			trans	-104.2	151	-160.3	38.3	-29.6	0	0	0	114.2
28	V	35.8	Very low	33.6	Very low	155 Å²	155	146.2 Å²	146.2	94%	0.939	82%	0.823	S	S	*	*			trans	-143.4	140.7	164.7	-178.2	0	0	0	0	110.7
29	A	33.2	Very low	33.4	Very low	81 Å²	81	140.6 Å²	140.6	67%	0.669	82%	0.815	S	S	*	*			trans	-84.7	152.8	-167.7	0	0	0	0	0	115.6
30	M	31	Very low	32.6	Very low	173 Å²	173	142.1 Å²	142.1	85%	0.852	82%	0.822	S	S	*	*			trans	48.7	118.3	143	-67.5	176.8	53.6	0	0	120.4
31	T	35	Very low	32	Very low	143 Å²	143	143.8 Å²	143.8	88%	0.877	82%	0.823	S	S	*	*				-169.2	145.1	108	31.3	0	0	0	0	110.7
32	E	31.8	Very low	31.6	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	82%	0.815	S	S	*	*			trans	-65.8	144.4	-173.6	-60.7	165.8	149.6	0	0	113.8
33	E	33.9	Very low	31	Very low	193 Å²	193	143 Å²	143	90%	0.902	81%	0.808	S	S	*	*			trans	-173.3	144.7	131.7	-103.2	175.1	-166.7	0	0	111.3
34	D	30.2	Very low	30.9	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	81%	0.814	S	S	*	*			trans	-50.4	133.7	-168.9	-68.5	-55.4	0	0	0	116.5
35	D	32.6	Very low	30.4	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	81%	0.814	S	S	*	*				-163.9	151.7	127.7	-128.9	-25.6	0	0	0	115.1
36	K	28.4	Very low	30	Very low	185 Å²	185	140.6 Å²	140.6	80%	0.804	82%	0.816	S	S	*	*			trans	-66.2	130.4	-171.3	-62.7	157.7	179.8	166	0	113.1
37	S	27.6	Very low	29.8	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	82%	0.817	S	S	*	*				160.4	135.6	129.4	51.7	0	0	0	0	114.1
38	N	25.3	Very low	29.6	Very low	171 Å²	171	144.2 Å²	144.2	91%	0.914	81%	0.809	S	S	*	*			trans	48.7	98.7	153.9	-66.2	-11.6	0	0	0	120.1
39	G	25.9	Very low	29.7	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	80%	0.799	S	S	*	*			trans	-171.8	109.8	160.9	0	0	0	0	0	112.9	I41	G39-I41 PolarHBondContact O-N 3.37Å
40	V	24.9	Very low	30.2	Very low	151 Å²	151	146 Å²	146	92%	0.915	80%	0.802	S	S	*	*			trans	-68.3	110.2	175.7	176.4	0	0	0	0	109.1
41	I	24.9	Very low	31.6	Very low	155 Å²	155	145.8 Å²	145.8	80%	0.795	80%	0.799	S	S	*	*			trans	-112.8	110.9	166.3	-63.9	175.6	0	0	0	106.3	G39 S43	G39-I41 PolarHBondContact O-N 3.37Å; I41-S43 PolarHBondContact O-N 2.7Å; I41-S43 VanDerWaalsContact O-N 3.14Å
42	S	26.8	Very low	33.5	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	78%	0.776	S	S	*	*			trans	-76.7	96.9	172.5	67.4	0	0	0	0	109.2	M44	S42-M44 PolarHBondContact O-N 3.33Å
43	S	28.7	Very low	35.8	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	76%	0.755	S	S	*	*			trans	-66.9	106.3	160.1	52.5	0	0	0	0	108.3	I41 D45	I41-S43 PolarHBondContact O-N 2.7Å; I41-S43 VanDerWaalsContact O-N 3.14Å; S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 2.83Å
44	M	31.6	Very low	38.1	Very low	164 Å²	164	132 Å²	132	81%	0.808	73%	0.727	S	S	*	*			trans	-94.1	68.2	174.8	-159	161.8	172.7	0	0	107.5	S42	S42-M44 PolarHBondContact O-N 3.33Å
45	D	26.9	Very low	40.6	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	70%	0.695	S	S	*	*			trans	-124.9	126.9	175.1	-80.6	-38.7	0	0	0	109.7	S43	S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 2.83Å
46	S	26.1	Very low	43	Very low	117 Å²	117	120.9 Å²	120.9	82%	0.818	67%	0.671	S	S	*	*			trans	68.1	74.6	171.2	65.8	0	0	0	0	117.9
47	Y	30	Very low	46	Very low	211 Å²	211	117.1 Å²	117.1	83%	0.827	66%	0.656	S	S	*	*			trans	-86.6	120.6	146.9	-74.4	-86.3	0	0	0	107.5	D49	Y47-D49 PolarHBondContact O-N 3.4Å
48	T	31.2	Very low	49	Very low	103 Å²	103	112.1 Å²	112.1	63%	0.632	62%	0.622	S	S	*	*			trans	-65.2	120.2	166.2	44.2	0	0	0	0	108.2	D50	T48-D50 PolarHBondContact O-N 3.47Å
49	D	37.3	Very low	52.3	Low	137 Å²	137	107.1 Å²	107.1	73%	0.733	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-55	-12.3	-174	-90	-31.6	0	0	0	115.4	Y47 E51	Y47-D49 PolarHBondContact O-N 3.4Å; D49-E51 PolarHBondContact O-N 2.87Å
50	D	45.3	Very low	55.6	Low	136 Å²	136	103.8 Å²	103.8	73%	0.727	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-74.2	-20.6	-172.6	-73.3	-40.7	0	0	0	114.7	T48 K55	T48-D50 PolarHBondContact O-N 3.47Å; D50-K55 PolarHBondContact O-NZ 3.07Å
51	E	58.5	Low	59	Low	170 Å²	170	100.7 Å²	100.7	79%	0.794	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-97.8	-2.2	-176.2	-66.5	-168.6	167.4	0	0	115.5	D49 D53	D49-E51 PolarHBondContact O-N 2.87Å; E51-D53 PolarHBondContact O-N 3.1Å
52	D	74.9	Confident	62.3	Low	75 Å²	75	94 Å²	94	40%	0.401	51%	0.507	S	S	.	.			trans	-83.9	104.4	178.8	-174.5	7.9	0	0	0	111.6	Y54 K55	D52-Y54 PolarHBondContact O-N 3.08Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.32Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.37Å; D52-Y54 PolarHBondContact OD1-N 3.33Å; D52-K55 HydrophobicContact CB-CB 4.46Å; D52-K55 WeakPolarHBondContact O-CB 3.32Å; D52-K55 WeakPolarHBondContact O-CD 3.28Å; D52-K55 WeakPolarHBondContact O-CG 3.4Å; D52-K55 PolarHBondContact O-N 3.18Å; D52-K55 VanDerWaalsContact O-N 3.16Å
53	D	81.5	Confident	65.5	Low	82 Å²	82	93 Å²	93	44%	0.439	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.7	173.7	-72	-20.9	0	0	0	113.2	E51 Y80 R82 G83	E51-D53 PolarHBondContact O-N 3.1Å; D53-Y80 HydrophobicContact CB-CG 4.39Å; D53-Y80 CarbonylContact O-C 3.52Å; D53-Y80 WeakPolarHBondContact OD1-CB 3.3Å; D53-R82 PolarHBondContact O-N 2.52Å; D53-G83 WeakPolarHBondContact O-CA 3.5Å; D53-G83 PolarHBondContact O-N 3.28Å
54	Y	81.2	Confident	68.5	Low	76 Å²	76	88.3 Å²	88.3	30%	0.298	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	9.2	-176.7	-64.8	-94.4	0	0	0	114.1	D52 W191 H196	D52-Y54 PolarHBondContact O-N 3.08Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.32Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.37Å; D52-Y54 PolarHBondContact OD1-N 3.33Å; Y54-W191 HydrophobicContact CD1-CE3 4.22Å; Y54-W191 HydrophobicContact CD1-CZ3 4.03Å; Y54-H196 WeakPolarHBondContact CB-NE2 3.1Å; Y54-H196 AromaticContact CD1-CE1 3.98Å; Y54-H196 AromaticContact CD1-NE2 3.96Å; Y54-H196 AromaticContact CG-NE2 3.69Å
55	K	82.9	Confident	71.2	Confident	43 Å²	43	89.6 Å²	89.6	19%	0.187	46%	0.459	C	S	.	.			trans	-53.3	151.6	173.8	62.9	-170.3	173.3	-163.8	0	112.4	D50 D52 E57 Y80 V81 R82	D50-K55 PolarHBondContact O-NZ 3.07Å; D52-K55 HydrophobicContact CB-CB 4.46Å; D52-K55 WeakPolarHBondContact O-CB 3.32Å; D52-K55 WeakPolarHBondContact O-CD 3.28Å; D52-K55 WeakPolarHBondContact O-CG 3.4Å; D52-K55 PolarHBondContact O-N 3.18Å; D52-K55 VanDerWaalsContact O-N 3.16Å; K55-E57 VanDerWaalsContact CD-O 3.25Å; K55-E57 WeakPolarHBondContact CD-O 3.29Å; K55-E57 WeakPolarHBondContact CG-O 3.29Å; K55-Y80 WeakPolarHBondContact CE-O 3.44Å; K55-V81 WeakPolarHBondContact O-CG1 3.09Å; K55-R82 PolarHBondContact O-N 2.77Å
56	A	84	Confident	74.1	Confident	38 Å²	38	88.8 Å²	88.8	31%	0.314	45%	0.45	S	S	.	.	S	Bend	trans	-75.9	-30.1	-178	0	0	0	0	0	112.9	V81 R82 N182 A183	A56-V81 WeakPolarHBondContact O-CG1 3.38Å; A56-R82 VanDerWaalsContact CB-NH2 3.25Å; A56-N182 PolarHBondContact O-OD1 3.19Å; A56-A183 PolarHBondContact O-N 3.24Å
57	E	90.9	Very high	77	Confident	106 Å²	106	83.2 Å²	83.2	50%	0.495	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.7	-178.3	64.2	-177.3	-166	0	0	111.4	K55 H180 V181 N182	K55-E57 VanDerWaalsContact CD-O 3.25Å; K55-E57 WeakPolarHBondContact CD-O 3.29Å; K55-E57 WeakPolarHBondContact CG-O 3.29Å; E57-H180 IonicContact OE2-CE1 3.02Å; E57-H180 IonicContact OE2-NE2 3.97Å; E57-V181 CarbonylContact C-O 3.53Å; E57-V181 WeakPolarHBondContact CA-O 3.38Å; E57-V181 WeakPolarHBondContact CB-O 3.48Å; E57-N182 HydrophobicContact CB-CB 4.42Å
58	G	90.7	Very high	79.5	Confident	5 Å²	5	76 Å²	76	5%	0.052	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.9	178	0	0	0	0	0	111.9	H180 V181	G58-H180 PolarHBondContact O-CD2 2.75Å; G58-V181 PolarHBondContact N-O 3.17Å; G58-V181 VanDerWaalsContact O-CG1 3.31Å; G58-V181 WeakPolarHBondContact O-CG1 3.4Å; G58-V181 PolarHBondContact O-N 3.49Å
59	V	95	Very high	82	Confident	67 Å²	67	78.5 Å²	78.5	41%	0.406	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	176.9	-176.1	0	0	0	0	109.1	E178 V179	V59-E178 HydrophobicContact CG1-CG 3.63Å; V59-V179 CarbonylContact C-O 3.6Å; V59-V179 WeakPolarHBondContact CA-O 3.43Å
60	I	95.2	Very high	84.2	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.6	178.2	-39.2	-179.2	0	0	0	107.6	S76 V79 W86 I88 L105 E178 V179 V181	I60-S76 WeakPolarHBondContact CG2-OG 3.41Å; I60-V79 HydrophobicContact CB-CG2 4.28Å; I60-V79 HydrophobicContact CG1-CB 4Å; I60-V79 HydrophobicContact CG1-CG2 4.09Å; I60-V79 HydrophobicContact CG2-CG2 4.06Å; I60-W86 HydrophobicContact CD1-CB 3.45Å; I60-W86 VanDerWaalsContact CD1-CB 3.45Å; I60-I88 HydrophobicContact CB-CD1 4.01Å; I60-I88 HydrophobicContact CB-CG1 4.05Å; I60-I88 HydrophobicContact CG2-CD1 3.93Å; I60-I88 HydrophobicContact CG2-CG1 3.79Å; I60-I88 WeakPolarHBondContact O-CD1 3.31Å; I60-L105 HydrophobicContact CD1-CD1 3.72Å; I60-E178 CarbonylContact O-C 3.54Å; I60-E178 VanDerWaalsContact O-CA 3.31Å; I60-E178 WeakPolarHBondContact O-CA 3.34Å; I60-V179 HydrophobicContact CB-CB 4.38Å; I60-V179 PolarHBondContact N-O 2.85Å; I60-V179 PolarHBondContact O-N 2.91Å; I60-V181 HydrophobicContact CD1-CG1 4.39Å
61	N	94.7	Very high	85.8	Confident	85 Å²	85	75.1 Å²	75.1	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.6	177.1	-70	-76.5	0	0	0	110.1	L177	N61-L177 CarbonylContact C-O 3.51Å; N61-L177 WeakPolarHBondContact CA-O 3.46Å
62	L	94.8	Very high	87	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.5	172.7	177.4	60.7	0	0	0	109.9	I64 I74 I88 A90 L177	L62-I64 HydrophobicContact CD2-CD1 4.13Å; L62-I64 HydrophobicContact CD2-CG1 4.04Å; L62-I64 HydrophobicContact CG-CD1 4.47Å; L62-I64 HydrophobicContact CG-CG1 3.88Å; L62-I74 HydrophobicContact CD1-CG2 4.11Å; L62-I74 HydrophobicContact CD2-CG2 4.16Å; L62-I88 HydrophobicContact CB-CB 4.13Å; L62-I88 HydrophobicContact CB-CD1 3.91Å; L62-I88 HydrophobicContact CB-CG2 4.07Å; L62-I88 HydrophobicContact CD2-CB 4.18Å; L62-I88 HydrophobicContact CD2-CG2 3.62Å; L62-I88 HydrophobicContact CG-CG2 4.5Å; L62-A90 HydrophobicContact CD2-CB 4Å; L62-L177 HydrophobicContact CB-CB 4.29Å; L62-L177 HydrophobicContact CD2-CD1 4.39Å; L62-L177 PolarHBondContact N-O 2.82Å; L62-L177 PolarHBondContact O-N 2.65Å
63	V	93.7	Very high	87.7	Confident	80 Å²	80	72.9 Å²	72.9	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.5	174.5	-177.8	0	0	0	0	108.6	T174 V176	V63-T174 HydrophobicContact CG1-CG2 3.36Å; V63-V176 HydrophobicContact CG2-CG1 4.42Å; V63-V176 HydrophobicContact CG2-CG2 4.29Å
64	I	91.4	Very high	88.2	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105	-179.9	-53.5	178.4	0	0	0	108.7	L62 F67 L70 I74 A90 T174 I175 L177	L62-I64 HydrophobicContact CD2-CD1 4.13Å; L62-I64 HydrophobicContact CD2-CG1 4.04Å; L62-I64 HydrophobicContact CG-CD1 4.47Å; L62-I64 HydrophobicContact CG-CG1 3.88Å; I64-F67 HydrophobicContact CB-CD2 4.32Å; I64-F67 HydrophobicContact CG2-CB 4.46Å; I64-F67 HydrophobicContact CG2-CD2 3.9Å; I64-L70 HydrophobicContact CG2-CD1 4.42Å; I64-I74 HydrophobicContact CG2-CD1 3.9Å; I64-A90 HydrophobicContact CD1-CB 3.59Å; I64-T174 VanDerWaalsContact O-CA 3.27Å; I64-T174 WeakPolarHBondContact O-CA 3.41Å; I64-I175 HydrophobicContact CB-CG1 3.93Å; I64-I175 HydrophobicContact CD1-CD1 4.24Å; I64-I175 HydrophobicContact CD1-CG1 4.33Å; I64-I175 HydrophobicContact CG1-CG1 4.4Å; I64-I175 PolarHBondContact N-O 3.15Å; I64-I175 PolarHBondContact O-N 3.16Å; I64-I175 VanDerWaalsContact O-N 3.08Å; I64-L177 HydrophobicContact CD1-CD1 3.83Å; I64-L177 HydrophobicContact CD1-CG 4.4Å
65	R	89.6	Confident	88.8	Confident	190 Å²	190	71.2 Å²	71.2	72%	0.717	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.1	173.4	-60.2	-178.3	-175.5	-179.2	1.5	110.5	F67 T174	R65-F67 VanDerWaalsContact C-N 3.3Å; R65-F67 PolarHBondContact O-N 3.16Å; R65-T174 HydrophobicContact CG-CG2 4.23Å
66	H	87.9	Confident	89.3	Confident	122 Å²	122	69.5 Å²	69.5	57%	0.565	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	42.2	-176.7	-54.9	-56.5	0	0	0	113.2	S68 K69 D173	H66-S68 PolarHBondContact O-N 3.04Å; H66-K69 PolarHBondContact O-N 2.97Å; H66-D173 CarbonylContact C-O 3.58Å; H66-D173 VanDerWaalsContact CA-O 3.31Å; H66-D173 WeakPolarHBondContact CA-O 3.46Å; H66-D173 VanDerWaalsContact CA-OD2 3.26Å; H66-D173 WeakPolarHBondContact CA-OD2 3.47Å; H66-D173 PolarHBondContact N-O 2.84Å; H66-D173 IonicContact ND1-OD2 2.66Å
67	F	86.9	Confident	89.8	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-56.6	-36.6	-172.3	-177.9	-110.5	0	0	0	112.9	I64 R65 K69 L70 L101 M159 L162 L163 I170 D173 I175	I64-F67 HydrophobicContact CB-CD2 4.32Å; I64-F67 HydrophobicContact CG2-CB 4.46Å; I64-F67 HydrophobicContact CG2-CD2 3.9Å; R65-F67 VanDerWaalsContact C-N 3.3Å; R65-F67 PolarHBondContact O-N 3.16Å; F67-K69 PolarHBondContact O-N 3.29Å; F67-L70 HydrophobicContact CD2-CD2 4.13Å; F67-L70 HydrophobicContact CE2-CD2 3.76Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.5Å; F67-L70 PolarHBondContact O-N 2.88Å; F67-L101 HydrophobicContact CE2-CD1 4.03Å; F67-L101 HydrophobicContact CZ-CD1 4.29Å; F67-M159 HydrophobicContact CD1-CE 4.17Å; F67-M159 HydrophobicContact CE1-CE 3.38Å; F67-M159 HydrophobicContact CE1-SD 3.88Å; F67-M159 HydrophobicContact CE2-CE 4.34Å; F67-M159 HydrophobicContact CZ-CE 3.48Å; F67-M159 VanDerWaalsContact CZ-CE 3.48Å; F67-M159 HydrophobicContact CZ-SD 3.57Å; F67-M159 VanDerWaalsContact CZ-SD 3.57Å; F67-L162 HydrophobicContact CE1-CB 3.71Å; F67-L162 HydrophobicContact CE1-CD1 3.87Å; F67-L162 HydrophobicContact CE1-CG 4.4Å; F67-L162 HydrophobicContact CZ-CB 4.33Å; F67-L162 HydrophobicContact CZ-CD1 3.59Å; F67-L163 HydrophobicContact CD1-CD2 3.91Å; F67-L163 HydrophobicContact CE1-CD2 4.35Å; F67-I170 HydrophobicContact CD1-CD1 4.42Å; F67-D173 PolarHBondContact N-O 3.24Å; F67-D173 PolarHBondContact N-OD1 2.74Å; F67-I175 HydrophobicContact CB-CG1 4.31Å; F67-I175 HydrophobicContact CB-CG2 4.26Å; F67-I175 HydrophobicContact CD1-CD1 4.25Å; F67-I175 HydrophobicContact CD1-CG1 4.44Å; F67-I175 HydrophobicContact CD1-CG2 3.87Å; F67-I175 HydrophobicContact CD2-CD1 3.4Å; F67-I175 HydrophobicContact CD2-CG1 3.6Å; F67-I175 HydrophobicContact CE1-CD1 4.11Å; F67-I175 HydrophobicContact CE1-CG2 4.39Å; F67-I175 HydrophobicContact CE2-CD1 3.24Å; F67-I175 HydrophobicContact CE2-CG1 4.01Å; F67-I175 HydrophobicContact CG-CD1 3.92Å; F67-I175 HydrophobicContact CG-CG1 3.85Å; F67-I175 HydrophobicContact CG-CG2 3.94Å; F67-I175 HydrophobicContact CZ-CD1 3.63Å
68	S	82.6	Confident	89.9	Confident	61 Å²	61	72.2 Å²	72.2	43%	0.427	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-57.1	-20.3	175.4	66.5	0	0	0	0	114.5	H66 D173	H66-S68 PolarHBondContact O-N 3.04Å; S68-D173 WeakPolarHBondContact CB-OD1 3.38Å; S68-D173 PolarHBondContact N-OD1 2.87Å; S68-D173 VanDerWaalsContact OG-CG 3.23Å; S68-D173 PolarHBondContact OG-OD1 3.21Å; S68-D173 PolarHBondContact OG-OD2 2.92Å
69	K	83.9	Confident	90	Very high	154 Å²	154	73.7 Å²	73.7	67%	0.67	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-107.9	10.8	-179.1	-62.1	179.8	-175.8	172.1	0	113.4	H66 F67 K71	H66-K69 PolarHBondContact O-N 2.97Å; F67-K69 PolarHBondContact O-N 3.29Å; K69-K71 PolarHBondContact O-N 3.46Å
70	L	83	Confident	89.9	Confident	10 Å²	10	75.2 Å²	75.2	5%	0.052	37%	0.366	C	S	.	.			trans	-62	108.9	-178.9	-175.4	66.5	0	0	0	111.1	I64 F67 T72 I74 Q92 L101	I64-L70 HydrophobicContact CG2-CD1 4.42Å; F67-L70 HydrophobicContact CD2-CD2 4.13Å; F67-L70 HydrophobicContact CE2-CD2 3.76Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.5Å; F67-L70 PolarHBondContact O-N 2.88Å; L70-T72 WeakPolarHBondContact CD1-O 3.35Å; L70-I74 HydrophobicContact CD1-CD1 3.23Å; L70-I74 HydrophobicContact CD1-CG1 3.72Å; L70-Q92 PolarHBondContact O-OE1 3.19Å; L70-L101 HydrophobicContact CD2-CD1 4.46Å
71	K	78.1	Confident	89.6	Confident	193 Å²	193	75.1 Å²	75.1	84%	0.839	37%	0.366	S	S	*	.			trans	-112.9	-24.6	178.1	-70.5	-176.3	-179.1	-176.6	0	113.9	K69	K69-K71 PolarHBondContact O-N 3.46Å
72	T	83.6	Confident	89.2	Confident	101 Å²	101	72.8 Å²	72.8	62%	0.62	35%	0.351	S	S	*	.	S	Bend	trans	-115.9	163.6	-174.8	55.2	0	0	0	0	110.4	L70	L70-T72 WeakPolarHBondContact CD1-O 3.35Å
73	Q	90.4	Very high	88.8	Confident	97 Å²	97	73.2 Å²	73.2	45%	0.453	36%	0.359	S	S	.	.			trans	-62.8	140	167.4	179	-178.9	-31.6	0	0	110.3	M89 A90 M91	Q73-M89 VanDerWaalsContact CD-SD 3.5Å; Q73-M89 HydrophobicContact CG-CG 3.83Å; Q73-M89 HydrophobicContact CG-SD 4.19Å; Q73-M89 PolarHBondContact NE2-SD 3.35Å; Q73-A90 WeakPolarHBondContact CA-O 3.44Å; Q73-M91 HydrophobicContact CB-CB 4.27Å
74	I	92	Very high	88.6	Confident	54 Å²	54	69.6 Å²	69.6	28%	0.277	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	172.5	-62.2	179.9	0	0	0	107.8	L62 I64 L70 A90	L62-I74 HydrophobicContact CD1-CG2 4.11Å; L62-I74 HydrophobicContact CD2-CG2 4.16Å; I64-I74 HydrophobicContact CG2-CD1 3.9Å; L70-I74 HydrophobicContact CD1-CD1 3.23Å; L70-I74 HydrophobicContact CD1-CG1 3.72Å; I74-A90 PolarHBondContact N-O 3.5Å; I74-A90 PolarHBondContact O-N 2.76Å
75	L	93.6	Very high	88.7	Confident	69 Å²	69	70.2 Å²	70.2	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.1	171.6	-65.2	175.1	0	0	0	109.5	I88 M89	L75-I88 CarbonylContact C-O 3.55Å; L75-I88 VanDerWaalsContact CA-O 3.28Å; L75-I88 WeakPolarHBondContact CA-O 3.15Å; L75-M89 HydrophobicContact CD2-CB 3.62Å; L75-M89 HydrophobicContact CD2-CG 3.86Å; L75-M89 HydrophobicContact CD2-SD 4.42Å
76	S	94.2	Very high	89	Confident	7 Å²	7	61.1 Å²	61.1	5%	0.049	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-77.8	166.9	167.9	74.2	0	0	0	0	112	I60 K87 I88	I60-S76 WeakPolarHBondContact CG2-OG 3.41Å; S76-K87 WeakPolarHBondContact OG-CA 3.31Å; S76-I88 PolarHBondContact N-O 3.46Å; S76-I88 PolarHBondContact OG-N 2.89Å
77	E	92.7	Very high	89.5	Confident	162 Å²	162	56.5 Å²	56.5	76%	0.757	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-57.7	144.9	158.9	-65	-54.8	139	0	0	109.9
78	P	93.6	Very high	90	Very high	39 Å²	39	56.5 Å²	56.5	25%	0.253	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-71.3	139.8	178.5	28.2	-31.8	0	0	0	111.4	P85 W86 K87	P78-P85 HydrophobicContact CB-CB 3.82Å; P78-W86 CarbonylContact C-O 3.56Å; P78-W86 VanDerWaalsContact CA-O 3.31Å; P78-W86 WeakPolarHBondContact CA-O 3.27Å; P78-K87 HydrophobicContact CB-CG 4.05Å
79	V	94	Very high	90.6	Very high	35 Å²	35	54 Å²	54	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.8	162.4	175.2	0	0	0	0	107.7	I60 V81 W86	I60-V79 HydrophobicContact CB-CG2 4.28Å; I60-V79 HydrophobicContact CG1-CB 4Å; I60-V79 HydrophobicContact CG1-CG2 4.09Å; I60-V79 HydrophobicContact CG2-CG2 4.06Å; V79-V81 HydrophobicContact CG1-CG2 4.21Å; V79-W86 PolarHBondContact N-O 2.77Å; V79-W86 WeakPolarHBondContact O-CB 3.45Å; V79-W86 PolarHBondContact O-N 3.06Å
80	Y	91.3	Very high	91.1	Very high	99 Å²	99	46.7 Å²	46.7	39%	0.388	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.7	178.3	-69.9	-92.8	0	0	0	110.3	D53 K55 L84 P85	D53-Y80 HydrophobicContact CB-CG 4.39Å; D53-Y80 CarbonylContact O-C 3.52Å; D53-Y80 WeakPolarHBondContact OD1-CB 3.3Å; K55-Y80 WeakPolarHBondContact CE-O 3.44Å; Y80-L84 WeakPolarHBondContact CA-O 3.37Å; Y80-P85 HydrophobicContact CD1-CB 4.41Å; Y80-P85 HydrophobicContact CE1-CB 3.94Å; Y80-P85 HydrophobicContact CE1-CG 4.44Å
81	V	90.1	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.7	172.9	-176.6	0	0	0	0	105.9	K55 A56 V79 G83 L84 W86 V181 A183	K55-V81 WeakPolarHBondContact O-CG1 3.09Å; A56-V81 WeakPolarHBondContact O-CG1 3.38Å; V79-V81 HydrophobicContact CG1-CG2 4.21Å; V81-G83 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact N-O 3.45Å; V81-L84 VanDerWaalsContact N-O 3.14Å; V81-L84 PolarHBondContact O-N 2.83Å; V81-L84 VanDerWaalsContact O-N 3.13Å; V81-W86 PolarHBondContact O-NE1 3.46Å; V81-V181 HydrophobicContact CB-CG1 4.4Å; V81-V181 HydrophobicContact CG2-CG1 3.79Å; V81-A183 HydrophobicContact CG1-CB 3.94Å
82	R	86.2	Confident	91.9	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.136	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	31.1	-170	-55.9	-63.3	-166.6	-170.5	4.4	114.8	D53 K55 A56 L84 A183 P186 W191	D53-R82 PolarHBondContact O-N 2.52Å; K55-R82 PolarHBondContact O-N 2.77Å; A56-R82 VanDerWaalsContact CB-NH2 3.25Å; R82-L84 PolarHBondContact O-N 2.8Å; R82-A183 HydrophobicContact CG-CB 3.88Å; R82-A183 PolarHBondContact NE-O 3.3Å; R82-A183 PolarHBondContact NH2-O 3.42Å; R82-P186 HydrophobicContact CB-CG 4.2Å; R82-W191 HydrophobicContact CB-CZ3 4.29Å
83	G	85.3	Confident	91.9	Very high	24 Å²	24	40.6 Å²	40.6	25%	0.247	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	6.6	-178.5	0	0	0	0	0	114.2	D53 V81	D53-G83 WeakPolarHBondContact O-CA 3.5Å; D53-G83 PolarHBondContact O-N 3.28Å; V81-G83 PolarHBondContact O-N 2.89Å
84	L	90.4	Very high	91.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141	176.9	-62.4	-177.9	0	0	0	110.5	Y80 V81 R82 W86 N108 W116 C118 P186 V189	Y80-L84 WeakPolarHBondContact CA-O 3.37Å; V81-L84 PolarHBondContact N-O 3.45Å; V81-L84 VanDerWaalsContact N-O 3.14Å; V81-L84 PolarHBondContact O-N 2.83Å; V81-L84 VanDerWaalsContact O-N 3.13Å; R82-L84 PolarHBondContact O-N 2.8Å; L84-W86 PolarHBondContact O-N 3.1Å; L84-N108 HydrophobicContact CB-CB 4.44Å; L84-N108 HydrophobicContact CD2-CB 4.14Å; L84-W116 HydrophobicContact CD1-CE3 4.24Å; L84-W116 HydrophobicContact CD1-CZ3 4.27Å; L84-C118 HydrophobicContact CD1-CB 3.51Å; L84-P186 HydrophobicContact CD1-CB 3.72Å; L84-P186 HydrophobicContact CD1-CG 4.13Å; L84-P186 HydrophobicContact CG-CB 4.35Å; L84-P186 HydrophobicContact CG-CG 4.25Å; L84-V189 HydrophobicContact CD2-CB 4.44Å; L84-V189 HydrophobicContact CD2-CG1 3.82Å; L84-V189 HydrophobicContact CD2-CG2 4.22Å
85	P	94	Very high	89.9	Confident	17 Å²	17	43.4 Å²	43.4	11%	0.11	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.9	175.9	30.3	-31.8	0	0	0	110.4	P78 Y80 N108	P78-P85 HydrophobicContact CB-CB 3.82Å; Y80-P85 HydrophobicContact CD1-CB 4.41Å; Y80-P85 HydrophobicContact CE1-CB 3.94Å; Y80-P85 HydrophobicContact CE1-CG 4.44Å; P85-N108 WeakPolarHBondContact CD-OD1 3.43Å; P85-N108 HydrophobicContact CG-CB 4.41Å; P85-N108 PolarHBondContact O-N 3.32Å
86	W	96.1	Very high	88.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	174.9	-61.3	81.6	0	0	0	110.6	I60 P78 V79 V81 L84 L105 Q106 C107 A120 F144 V181 A183	I60-W86 HydrophobicContact CD1-CB 3.45Å; I60-W86 VanDerWaalsContact CD1-CB 3.45Å; P78-W86 CarbonylContact C-O 3.56Å; P78-W86 VanDerWaalsContact CA-O 3.31Å; P78-W86 WeakPolarHBondContact CA-O 3.27Å; V79-W86 PolarHBondContact N-O 2.77Å; V79-W86 WeakPolarHBondContact O-CB 3.45Å; V79-W86 PolarHBondContact O-N 3.06Å; V81-W86 PolarHBondContact O-NE1 3.46Å; L84-W86 PolarHBondContact O-N 3.1Å; W86-L105 HydrophobicContact CB-CD1 4.37Å; W86-L105 HydrophobicContact CE3-CD1 3.87Å; W86-L105 HydrophobicContact CE3-CD2 3.67Å; W86-L105 HydrophobicContact CE3-CG 3.71Å; W86-L105 HydrophobicContact CZ3-CD2 3.7Å; W86-L105 HydrophobicContact CZ3-CG 4.04Å; W86-Q106 CarbonylContact C-O 3.54Å; W86-Q106 WeakPolarHBondContact CA-O 3.37Å; W86-C107 HydrophobicContact CD2-CB 4.14Å; W86-C107 HydrophobicContact CE3-CB 3.68Å; W86-C107 HydrophobicContact CH2-CB 3.9Å; W86-C107 VanDerWaalsContact CH2-SG 3.55Å; W86-C107 HydrophobicContact CZ2-CB 4.34Å; W86-C107 WeakPolarHBondContact CZ2-SG 3.49Å; W86-C107 HydrophobicContact CZ3-CB 3.56Å; W86-A120 HydrophobicContact CH2-CB 3.32Å; W86-A120 HydrophobicContact CZ2-CB 4.03Å; W86-A120 HydrophobicContact CZ3-CB 3.98Å; W86-F144 AromaticContact CH2-CD2 3.7Å; W86-F144 HydrophobicContact CH2-CD2 3.7Å; W86-F144 AromaticContact CH2-CE2 3.95Å; W86-F144 HydrophobicContact CH2-CE2 3.95Å; W86-F144 HydrophobicContact CH2-CG 4.25Å; W86-F144 HydrophobicContact CZ3-CD1 4.45Å; W86-F144 AromaticContact CZ3-CD2 3.76Å; W86-F144 HydrophobicContact CZ3-CD2 3.76Å; W86-F144 HydrophobicContact CZ3-CE1 4.33Å; W86-F144 AromaticContact CZ3-CE2 3.64Å; W86-F144 HydrophobicContact CZ3-CE2 3.64Å; W86-F144 HydrophobicContact CZ3-CG 4.17Å; W86-F144 AromaticContact CZ3-CZ 3.94Å; W86-F144 HydrophobicContact CZ3-CZ 3.94Å; W86-V181 HydrophobicContact CD2-CG2 4.05Å; W86-V181 HydrophobicContact CE3-CG2 3.91Å; W86-V181 HydrophobicContact CH2-CG2 4.2Å; W86-V181 HydrophobicContact CZ2-CG2 4.32Å; W86-V181 HydrophobicContact CZ3-CG2 3.97Å; W86-A183 HydrophobicContact CH2-CB 4.4Å; W86-A183 HydrophobicContact CZ2-CB 3.69Å
87	K	97.2	Very high	87	Confident	25 Å²	25	59.5 Å²	59.5	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.3	-178.8	-61.4	-179	-173.7	-175.7	0	110.9	S76 P78 Q106 E110	S76-K87 WeakPolarHBondContact OG-CA 3.31Å; P78-K87 HydrophobicContact CB-CG 4.05Å; K87-Q106 HydrophobicContact CB-CB 4.46Å; K87-Q106 PolarHBondContact N-O 3.3Å; K87-Q106 PolarHBondContact O-N 3.08Å; K87-E110 VanDerWaalsContact NZ-CD 3.32Å; K87-E110 IonicContact NZ-OE1 3.26Å; K87-E110 PolarHBondContact NZ-OE1 2.91Å; K87-E110 IonicContact NZ-OE2 3.96Å; K87-E110 PolarHBondContact NZ-OE2 2.83Å
88	I	97.2	Very high	85.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131	164.3	-67.5	172.3	0	0	0	108.3	I60 L62 L75 S76 F103 L177 V179	I60-I88 HydrophobicContact CB-CD1 4.01Å; I60-I88 HydrophobicContact CB-CG1 4.05Å; I60-I88 HydrophobicContact CG2-CD1 3.93Å; I60-I88 HydrophobicContact CG2-CG1 3.79Å; I60-I88 WeakPolarHBondContact O-CD1 3.31Å; L62-I88 HydrophobicContact CB-CB 4.13Å; L62-I88 HydrophobicContact CB-CD1 3.91Å; L62-I88 HydrophobicContact CB-CG2 4.07Å; L62-I88 HydrophobicContact CD2-CB 4.18Å; L62-I88 HydrophobicContact CD2-CG2 3.62Å; L62-I88 HydrophobicContact CG-CG2 4.5Å; L75-I88 CarbonylContact C-O 3.55Å; L75-I88 VanDerWaalsContact CA-O 3.28Å; L75-I88 WeakPolarHBondContact CA-O 3.15Å; S76-I88 PolarHBondContact N-O 3.46Å; S76-I88 PolarHBondContact OG-N 2.89Å; I88-F103 HydrophobicContact CB-CE2 4.4Å; I88-F103 HydrophobicContact CD1-CE2 4.37Å; I88-F103 HydrophobicContact CG1-CE2 4.19Å; I88-F103 HydrophobicContact CG2-CD2 3.92Å; I88-F103 HydrophobicContact CG2-CE2 3.46Å; I88-F103 VanDerWaalsContact CG2-CE2 3.46Å; I88-F103 HydrophobicContact CG2-CZ 4.46Å; I88-L177 HydrophobicContact CD1-CB 4.33Å; I88-L177 HydrophobicContact CG2-CD1 4.15Å; I88-V179 HydrophobicContact CD1-CB 4.19Å; I88-V179 HydrophobicContact CD1-CG2 3.72Å; I88-V179 HydrophobicContact CG1-CB 4.13Å; I88-V179 HydrophobicContact CG1-CG2 3.57Å
89	M	95.1	Very high	85.4	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.1	169.9	176.9	174.1	70	0	0	109.8	Q73 L75 F104 D150	Q73-M89 VanDerWaalsContact CD-SD 3.5Å; Q73-M89 HydrophobicContact CG-CG 3.83Å; Q73-M89 HydrophobicContact CG-SD 4.19Å; Q73-M89 PolarHBondContact NE2-SD 3.35Å; L75-M89 HydrophobicContact CD2-CB 3.62Å; L75-M89 HydrophobicContact CD2-CG 3.86Å; L75-M89 HydrophobicContact CD2-SD 4.42Å; M89-F104 HydrophobicContact CB-CB 4.16Å; M89-F104 HydrophobicContact CE-CB 3.56Å; M89-F104 HydrophobicContact CE-CD1 4.3Å; M89-F104 HydrophobicContact CE-CD2 3.77Å; M89-F104 HydrophobicContact CE-CG 3.63Å; M89-F104 PolarHBondContact N-O 3.1Å; M89-F104 PolarHBondContact O-N 3.11Å; M89-D150 HydrophobicContact CE-CB 3.84Å
90	A	94	Very high	85.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135	179.6	0	0	0	0	0	110.7	L62 I64 Q73 I74 L101 G102 L177	L62-A90 HydrophobicContact CD2-CB 4Å; I64-A90 HydrophobicContact CD1-CB 3.59Å; Q73-A90 WeakPolarHBondContact CA-O 3.44Å; I74-A90 PolarHBondContact N-O 3.5Å; I74-A90 PolarHBondContact O-N 2.76Å; A90-L101 HydrophobicContact CB-CD1 4.31Å; A90-G102 WeakPolarHBondContact CA-O 3.32Å; A90-L177 HydrophobicContact CB-CD1 3.72Å
91	M	91.2	Very high	85.3	Confident	27 Å²	27	53.2 Å²	53.2	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.1	177.8	62.7	-176.4	-62.3	0	0	111.5	Q73 R93 G102 F104	Q73-M91 HydrophobicContact CB-CB 4.27Å; M91-R93 HydrophobicContact CE-CG 4.47Å; M91-R93 HydrophobicContact CG-CG 4.21Å; M91-R93 PolarHBondContact O-N 3.19Å; M91-R93 PolarHBondContact SD-NE 3.19Å; M91-R93 PolarHBondContact SD-NH2 3.41Å; M91-G102 PolarHBondContact N-O 2.9Å; M91-G102 WeakPolarHBondContact O-CA 3.34Å; M91-G102 PolarHBondContact O-N 3.23Å; M91-F104 HydrophobicContact CG-CE2 4.45Å; M91-F104 HydrophobicContact SD-CE2 4.44Å
92	Q	88.2	Confident	85.5	Confident	47 Å²	47	53.2 Å²	53.2	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.9	169.3	-173.3	177.1	-39.8	0	0	109.6	L70 M159	L70-Q92 PolarHBondContact O-OE1 3.19Å; Q92-M159 HydrophobicContact CG-CG 4.48Å; Q92-M159 HydrophobicContact CG-SD 4.47Å
93	R	83.8	Confident	85.9	Confident	102 Å²	102	51.5 Å²	51.5	39%	0.385	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.1	173.4	-71.5	-73.8	-171.4	177.5	-0.7	109.3	M91 A100 T154	M91-R93 HydrophobicContact CE-CG 4.47Å; M91-R93 HydrophobicContact CG-CG 4.21Å; M91-R93 PolarHBondContact O-N 3.19Å; M91-R93 PolarHBondContact SD-NE 3.19Å; M91-R93 PolarHBondContact SD-NH2 3.41Å; R93-A100 PolarHBondContact N-O 3.32Å; R93-A100 PolarHBondContact O-N 3.15Å; R93-T154 HydrophobicContact CG-CG2 3.98Å; R93-T154 WeakPolarHBondContact CG-O 3.18Å
94	E	75.5	Confident	86.4	Confident	130 Å²	130	51 Å²	51	61%	0.607	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.3	168.3	-60.5	-161.4	144.1	0	0	107.9	R99	E94-R99 HydrophobicContact CG-CG 4.21Å; E94-R99 IonicContact OE1-CZ 2.89Å; E94-R99 IonicContact OE1-NE 3.45Å; E94-R99 PolarHBondContact OE1-NE 2.97Å; E94-R99 IonicContact OE1-NH2 3.79Å; E94-R99 PolarHBondContact OE1-NH2 2.8Å
95	T	63.3	Low	86.7	Confident	80 Å²	80	50.9 Å²	50.9	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	157.2	162.2	58.6	0	0	0	0	107.6	R97 C98	T95-R97 PolarHBondContact O-N 3.45Å; T95-C98 PolarHBondContact N-O 3.22Å; T95-C98 PolarHBondContact O-N 2.94Å; T95-C98 VanDerWaalsContact O-N 3.16Å; T95-C98 PolarHBondContact OG1-O 2.85Å
96	N	62.9	Low	86.8	Confident	176 Å²	176	51.2 Å²	51.2	94%	0.941	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-3.8	-169.5	-78.8	-17.5	0	0	0	117.2
97	R	65.6	Low	86.8	Confident	238 Å²	238	51.2 Å²	51.2	90%	0.898	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-16.2	177.6	-63.9	-171.9	179.7	180	0.2	116.1	T95	T95-R97 PolarHBondContact O-N 3.45Å
98	C	67.7	Low	86.6	Confident	59 Å²	59	51 Å²	51	40%	0.399	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	142.2	-175.7	-70.6	0	0	0	0	111.5	T95	T95-C98 PolarHBondContact N-O 3.22Å; T95-C98 PolarHBondContact O-N 2.94Å; T95-C98 VanDerWaalsContact O-N 3.16Å; T95-C98 PolarHBondContact OG1-O 2.85Å
99	R	85.5	Confident	86.2	Confident	141 Å²	141	52.7 Å²	52.7	53%	0.532	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.5	166.8	-64.1	179.4	165.7	159.7	5.1	108.5	E94 M159	E94-R99 HydrophobicContact CG-CG 4.21Å; E94-R99 IonicContact OE1-CZ 2.89Å; E94-R99 IonicContact OE1-NE 3.45Å; E94-R99 PolarHBondContact OE1-NE 2.97Å; E94-R99 IonicContact OE1-NH2 3.79Å; E94-R99 PolarHBondContact OE1-NH2 2.8Å; R99-M159 HydrophobicContact CB-CB 3.95Å; R99-M159 HydrophobicContact CB-CG 3.59Å; R99-M159 WeakPolarHBondContact O-CG 3.28Å; R99-M159 PolarHBondContact O-N 3.31Å
100	A	90.2	Very high	85.8	Confident	2 Å²	2	58.8 Å²	58.8	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.5	179.2	0	0	0	0	0	111.5	R93 S155 L157	R93-A100 PolarHBondContact N-O 3.32Å; R93-A100 PolarHBondContact O-N 3.15Å; A100-S155 WeakPolarHBondContact CB-OG 3.07Å; A100-L157 WeakPolarHBondContact CA-O 3.42Å; A100-L157 WeakPolarHBondContact CB-O 3.29Å
101	L	92	Very high	85.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.8	167.8	178.9	65.1	0	0	0	109	F67 L70 A90 F156 L157 L162 I175 L177	F67-L101 HydrophobicContact CE2-CD1 4.03Å; F67-L101 HydrophobicContact CZ-CD1 4.29Å; L70-L101 HydrophobicContact CD2-CD1 4.46Å; A90-L101 HydrophobicContact CB-CD1 4.31Å; L101-F156 VanDerWaalsContact O-CB 3.3Å; L101-F156 WeakPolarHBondContact O-CB 3.1Å; L101-F156 PolarHBondContact O-N 2.88Å; L101-L157 PolarHBondContact N-O 3Å; L101-L162 HydrophobicContact CB-CD1 3.52Å; L101-L162 HydrophobicContact CD2-CD1 3.76Å; L101-L162 HydrophobicContact CG-CD1 4.23Å; L101-I175 HydrophobicContact CD2-CD1 4.18Å; L101-L177 HydrophobicContact CD2-CD1 4.37Å; L101-L177 HydrophobicContact CD2-CD2 3.96Å
102	G	93.5	Very high	84.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.4	160.4	0	0	0	0	0	109.1	A90 M91 Y153	A90-G102 WeakPolarHBondContact CA-O 3.32Å; M91-G102 PolarHBondContact N-O 2.9Å; M91-G102 WeakPolarHBondContact O-CA 3.34Å; M91-G102 PolarHBondContact O-N 3.23Å; G102-Y153 WeakPolarHBondContact CA-O 3.41Å
103	F	95.2	Very high	84.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.1	-177.9	-172.8	-174.7	0	0	0	108.9	I88 L124 K125 Y153 F156 L177 V179	I88-F103 HydrophobicContact CB-CE2 4.4Å; I88-F103 HydrophobicContact CD1-CE2 4.37Å; I88-F103 HydrophobicContact CG1-CE2 4.19Å; I88-F103 HydrophobicContact CG2-CD2 3.92Å; I88-F103 HydrophobicContact CG2-CE2 3.46Å; I88-F103 VanDerWaalsContact CG2-CE2 3.46Å; I88-F103 HydrophobicContact CG2-CZ 4.46Å; F103-L124 HydrophobicContact CB-CD2 4.43Å; F103-L124 HydrophobicContact CD1-CB 4.03Å; F103-L124 HydrophobicContact CD1-CD2 4.15Å; F103-L124 HydrophobicContact CD1-CG 4.44Å; F103-L124 HydrophobicContact CD2-CD2 3.93Å; F103-L124 HydrophobicContact CD2-CG 4.4Å; F103-L124 HydrophobicContact CE1-CB 3.68Å; F103-L124 HydrophobicContact CE1-CD2 4.42Å; F103-L124 HydrophobicContact CE1-CG 4.21Å; F103-L124 HydrophobicContact CE2-CB 4.47Å; F103-L124 HydrophobicContact CE2-CD2 4.16Å; F103-L124 HydrophobicContact CE2-CG 4.12Å; F103-L124 HydrophobicContact CG-CD2 3.91Å; F103-L124 HydrophobicContact CZ-CB 3.92Å; F103-L124 HydrophobicContact CZ-CD2 4.41Å; F103-L124 HydrophobicContact CZ-CG 4.04Å; F103-L124 WeakPolarHBondContact O-CD2 3.09Å; F103-K125 WeakPolarHBondContact CE1-O 3.44Å; F103-Y153 PolarHBondContact N-O 3.09Å; F103-Y153 PolarHBondContact O-N 2.98Å; F103-F156 HydrophobicContact CB-CB 3.83Å; F103-F156 HydrophobicContact CB-CD1 4.49Å; F103-F156 HydrophobicContact CB-CD2 4.05Å; F103-F156 HydrophobicContact CB-CG 3.89Å; F103-F156 AromaticContact CD1-CD1 3.9Å; F103-F156 HydrophobicContact CD1-CD1 3.9Å; F103-F156 AromaticContact CD1-CD2 3.96Å; F103-F156 HydrophobicContact CD1-CD2 3.96Å; F103-F156 AromaticContact CD1-CE1 3.87Å; F103-F156 HydrophobicContact CD1-CE1 3.87Å; F103-F156 AromaticContact CD1-CE2 3.93Å; F103-F156 HydrophobicContact CD1-CE2 3.93Å; F103-F156 AromaticContact CD1-CG 3.95Å; F103-F156 HydrophobicContact CD1-CG 3.95Å; F103-F156 AromaticContact CD1-CZ 3.91Å; F103-F156 HydrophobicContact CD1-CZ 3.91Å; F103-F156 HydrophobicContact CE1-CE1 4.36Å; F103-F156 HydrophobicContact CE1-CZ 4.24Å; F103-F156 HydrophobicContact CG-CD2 4.41Å; F103-F156 HydrophobicContact CG-CG 4.44Å; F103-L177 HydrophobicContact CD1-CD2 4.3Å; F103-L177 HydrophobicContact CD2-CD1 4.2Å; F103-L177 HydrophobicContact CE1-CB 4.2Å; F103-L177 HydrophobicContact CE1-CD1 4.49Å; F103-L177 HydrophobicContact CE1-CD2 4.05Å; F103-L177 HydrophobicContact CE1-CG 4.49Å; F103-L177 HydrophobicContact CE2-CB 4.25Å; F103-L177 HydrophobicContact CE2-CD1 4.18Å; F103-L177 HydrophobicContact CG-CD1 4.41Å; F103-L177 HydrophobicContact CZ-CB 3.79Å; F103-L177 HydrophobicContact CZ-CD1 4.33Å; F103-L177 HydrophobicContact CZ-CD2 4.46Å; F103-L177 HydrophobicContact CZ-CG 4.42Å; F103-V179 HydrophobicContact CE2-CG2 3.49Å; F103-V179 VanDerWaalsContact CE2-CG2 3.49Å; F103-V179 HydrophobicContact CZ-CG2 3.44Å; F103-V179 VanDerWaalsContact CZ-CG2 3.44Å
104	F	96.2	Very high	84.3	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.066	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.3	-174.4	-53.7	-98.9	0	0	0	110.6	M89 M91 W151 T154	M89-F104 HydrophobicContact CB-CB 4.16Å; M89-F104 HydrophobicContact CE-CB 3.56Å; M89-F104 HydrophobicContact CE-CD1 4.3Å; M89-F104 HydrophobicContact CE-CD2 3.77Å; M89-F104 HydrophobicContact CE-CG 3.63Å; M89-F104 PolarHBondContact N-O 3.1Å; M89-F104 PolarHBondContact O-N 3.11Å; M91-F104 HydrophobicContact CG-CE2 4.45Å; M91-F104 HydrophobicContact SD-CE2 4.44Å; F104-W151 WeakPolarHBondContact CA-O 3.48Å; F104-T154 HydrophobicContact CZ-CG2 4.39Å
105	L	97	Very high	84.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.3	166.7	179.1	59.6	0	0	0	107.6	I60 W86 A122 I140 F144 D150 W151 V179 V181	I60-L105 HydrophobicContact CD1-CD1 3.72Å; W86-L105 HydrophobicContact CB-CD1 4.37Å; W86-L105 HydrophobicContact CE3-CD1 3.87Å; W86-L105 HydrophobicContact CE3-CD2 3.67Å; W86-L105 HydrophobicContact CE3-CG 3.71Å; W86-L105 HydrophobicContact CZ3-CD2 3.7Å; W86-L105 HydrophobicContact CZ3-CG 4.04Å; L105-A122 HydrophobicContact CD2-CB 3.54Å; L105-I140 HydrophobicContact CB-CD1 4.06Å; L105-I140 HydrophobicContact CD2-CD1 4.36Å; L105-F144 HydrophobicContact CB-CZ 4.47Å; L105-F144 HydrophobicContact CD2-CZ 4.14Å; L105-F144 HydrophobicContact CG-CZ 4.3Å; L105-F144 WeakPolarHBondContact O-CE1 3.18Å; L105-D150 CarbonylContact O-C 3.49Å; L105-D150 VanDerWaalsContact O-CA 3.3Å; L105-D150 WeakPolarHBondContact O-CA 3.48Å; L105-W151 PolarHBondContact N-O 3.35Å; L105-W151 PolarHBondContact O-N 2.87Å; L105-V179 HydrophobicContact CD1-CG1 4.04Å; L105-V179 HydrophobicContact CD2-CG1 4.17Å; L105-V181 HydrophobicContact CD2-CB 4.26Å; L105-V181 HydrophobicContact CD2-CG2 4.01Å
106	Q	96.2	Very high	85.9	Confident	24 Å²	24	61.7 Å²	61.7	11%	0.112	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	175.8	-177	175.6	72.2	0	0	109.4	W86 K87 A109 N149 D150	W86-Q106 CarbonylContact C-O 3.54Å; W86-Q106 WeakPolarHBondContact CA-O 3.37Å; K87-Q106 HydrophobicContact CB-CB 4.46Å; K87-Q106 PolarHBondContact N-O 3.3Å; K87-Q106 PolarHBondContact O-N 3.08Å; Q106-A109 HydrophobicContact CG-CB 3.55Å; Q106-N149 CarbonylContact C-O 3.52Å; Q106-N149 WeakPolarHBondContact CA-O 3.39Å; Q106-D150 HydrophobicContact CB-CB 4.26Å; Q106-D150 HydrophobicContact CG-CB 4.39Å
107	C	95.2	Very high	87.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.1	-179.7	-175.4	0	0	0	0	109.4	W86 A109 W116 F144 N149	W86-C107 HydrophobicContact CD2-CB 4.14Å; W86-C107 HydrophobicContact CE3-CB 3.68Å; W86-C107 HydrophobicContact CH2-CB 3.9Å; W86-C107 VanDerWaalsContact CH2-SG 3.55Å; W86-C107 HydrophobicContact CZ2-CB 4.34Å; W86-C107 WeakPolarHBondContact CZ2-SG 3.49Å; W86-C107 HydrophobicContact CZ3-CB 3.56Å; C107-A109 PolarHBondContact O-N 3.05Å; C107-W116 HydrophobicContact CB-CH2 4.06Å; C107-W116 HydrophobicContact CB-CZ3 4.47Å; C107-W116 WeakPolarHBondContact O-CH2 2.85Å; C107-W116 WeakPolarHBondContact O-CZ2 3.35Å; C107-F144 HydrophobicContact CB-CB 3.79Å; C107-F144 HydrophobicContact CB-CD1 3.64Å; C107-F144 HydrophobicContact CB-CE1 4.35Å; C107-F144 HydrophobicContact CB-CG 3.72Å; C107-N149 PolarHBondContact N-O 3.22Å
108	N	92.9	Very high	88.4	Confident	20 Å²	20	43.8 Å²	43.8	11%	0.107	25%	0.249	C	C	.	.	S	Bend	trans	47.8	33.5	167.6	-162	42.2	0	0	0	116.1	L84 P85 E110 S111 W116	L84-N108 HydrophobicContact CB-CB 4.44Å; L84-N108 HydrophobicContact CD2-CB 4.14Å; P85-N108 WeakPolarHBondContact CD-OD1 3.43Å; P85-N108 HydrophobicContact CG-CB 4.41Å; P85-N108 PolarHBondContact O-N 3.32Å; N108-E110 PolarHBondContact O-N 2.95Å; N108-S111 VanDerWaalsContact ND2-CB 3.26Å; N108-S111 WeakPolarHBondContact ND2-CB 3.49Å; N108-S111 WeakPolarHBondContact O-CB 3.39Å; N108-S111 PolarHBondContact O-N 2.82Å; N108-W116 HydrophobicContact CB-CD2 4.32Å; N108-W116 HydrophobicContact CB-CE3 4.42Å; N108-W116 HydrophobicContact CB-CH2 3.77Å; N108-W116 HydrophobicContact CB-CZ2 3.6Å; N108-W116 HydrophobicContact CB-CZ3 4.17Å; N108-W116 VanDerWaalsContact ND2-CE2 3.35Å; N108-W116 PolarHBondContact ND2-NE1 3.31Å
109	A	89.5	Confident	89.4	Confident	37 Å²	37	43.3 Å²	43.3	31%	0.306	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.1	-175.6	0	0	0	0	0	114.2	Q106 C107 S111 N149	Q106-A109 HydrophobicContact CG-CB 3.55Å; C107-A109 PolarHBondContact O-N 3.05Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-N149 HydrophobicContact CB-CB 4.14Å; A109-N149 VanDerWaalsContact CB-OD1 3.26Å; A109-N149 WeakPolarHBondContact CB-OD1 3.43Å
110	E	87.3	Confident	89.7	Confident	136 Å²	136	36.8 Å²	36.8	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.4	179.4	-68.5	168.3	-173.5	0	0	112.6	K87 N108	K87-E110 VanDerWaalsContact NZ-CD 3.32Å; K87-E110 IonicContact NZ-OE1 3.26Å; K87-E110 PolarHBondContact NZ-OE1 2.91Å; K87-E110 IonicContact NZ-OE2 3.96Å; K87-E110 PolarHBondContact NZ-OE2 2.83Å; N108-E110 PolarHBondContact O-N 2.95Å
111	S	85.6	Confident	89.9	Confident	43 Å²	43	38.8 Å²	38.8	30%	0.301	24%	0.236	S	C	.	.			trans	-78	128.8	-179.3	-171	0	0	0	0	112	N108 A109 S113	N108-S111 VanDerWaalsContact ND2-CB 3.26Å; N108-S111 WeakPolarHBondContact ND2-CB 3.49Å; N108-S111 WeakPolarHBondContact O-CB 3.39Å; N108-S111 PolarHBondContact O-N 2.82Å; A109-S111 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 2.95Å; S111-S113 WeakPolarHBondContact OG-CB 3.26Å; S111-S113 PolarHBondContact OG-N 2.88Å
112	D	79.9	Confident	90	Very high	165 Å²	165	39 Å²	39	88%	0.882	24%	0.238	S	C	*	.			trans	-74	-4.6	170.6	-64.6	-40.2	0	0	0	113.2	P114	D112-P114 WeakPolarHBondContact O-CD 3.34Å
113	S	79.9	Confident	90.1	Very high	36 Å²	36	40.5 Å²	40.5	25%	0.252	25%	0.247	S	C	.	.			trans	-72.3	123.6	-177.5	178.7	0	0	0	0	111	S111 S115 P146	S111-S113 PolarHBondContact O-N 2.95Å; S111-S113 WeakPolarHBondContact OG-CB 3.26Å; S111-S113 PolarHBondContact OG-N 2.88Å; S113-S115 VanDerWaalsContact C-N 3.28Å; S113-S115 PolarHBondContact O-N 3.06Å; S113-P146 WeakPolarHBondContact O-CG 3.48Å
114	P	79.5	Confident	90.2	Very high	116 Å²	116	40.5 Å²	40.5	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-7	-177.5	32.4	-36.1	0	0	0	113.8	D112	D112-P114 WeakPolarHBondContact O-CD 3.34Å
115	S	83.2	Confident	90.2	Very high	83 Å²	83	42.2 Å²	42.2	58%	0.58	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	16.9	-162.3	65.4	0	0	0	0	115	S113	S113-S115 VanDerWaalsContact C-N 3.28Å; S113-S115 PolarHBondContact O-N 3.06Å
116	W	89	Confident	90.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.015	26%	0.255	C	S	.	.			trans	-86.2	150	175.6	72.8	-93.5	0	0	0	111.8	L84 C107 N108 C118 F144 Y145 P146 N149 H187 V189	L84-W116 HydrophobicContact CD1-CE3 4.24Å; L84-W116 HydrophobicContact CD1-CZ3 4.27Å; C107-W116 HydrophobicContact CB-CH2 4.06Å; C107-W116 HydrophobicContact CB-CZ3 4.47Å; C107-W116 WeakPolarHBondContact O-CH2 2.85Å; C107-W116 WeakPolarHBondContact O-CZ2 3.35Å; N108-W116 HydrophobicContact CB-CD2 4.32Å; N108-W116 HydrophobicContact CB-CE3 4.42Å; N108-W116 HydrophobicContact CB-CH2 3.77Å; N108-W116 HydrophobicContact CB-CZ2 3.6Å; N108-W116 HydrophobicContact CB-CZ3 4.17Å; N108-W116 VanDerWaalsContact ND2-CE2 3.35Å; N108-W116 PolarHBondContact ND2-NE1 3.31Å; W116-C118 HydrophobicContact CZ3-CB 4.24Å; W116-F144 HydrophobicContact CH2-CB 3.97Å; W116-F144 HydrophobicContact CZ3-CB 3.93Å; W116-F144 WeakPolarHBondContact CZ3-O 3.24Å; W116-Y145 WeakPolarHBondContact O-CB 2.9Å; W116-P146 HydrophobicContact CG-CG 4.38Å; W116-P146 WeakPolarHBondContact O-CD 3.46Å; W116-N149 HydrophobicContact CH2-CB 4.5Å; W116-N149 HydrophobicContact CZ2-CB 4.22Å; W116-H187 VanDerWaalsContact CA-O 3.23Å; W116-H187 WeakPolarHBondContact CA-O 3.49Å; W116-V189 HydrophobicContact CB-CG1 3.79Å
117	S	89.5	Confident	89.9	Confident	37 Å²	37	44.2 Å²	44.2	26%	0.259	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-149.5	141.5	170.7	63.6	0	0	0	0	111.6	F144 P186 H187	S117-F144 CarbonylContact C-O 3.55Å; S117-F144 WeakPolarHBondContact CA-O 3.29Å; S117-P186 CarbonylContact O-C 3.52Å; S117-P186 VanDerWaalsContact O-CA 3.3Å; S117-P186 WeakPolarHBondContact O-CA 3.45Å; S117-H187 PolarHBondContact N-O 3Å; S117-H187 PolarHBondContact O-N 3.34Å
118	C	90.4	Very high	89.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	120	176.8	-173.5	0	0	0	0	110.6	L84 W116 F144 D184 P186	L84-C118 HydrophobicContact CD1-CB 3.51Å; W116-C118 HydrophobicContact CZ3-CB 4.24Å; C118-F144 PolarHBondContact N-O 2.87Å; C118-F144 PolarHBondContact O-N 3.01Å; C118-D184 PolarHBondContact SG-O 3.08Å; C118-P186 HydrophobicContact CB-CB 4Å
119	S	90	Very high	89.7	Confident	48 Å²	48	47.2 Å²	47.2	34%	0.336	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	170.7	165.5	0	0	0	0	109	D184	S119-D184 WeakPolarHBondContact CB-OD2 3.39Å; S119-D184 WeakPolarHBondContact O-CB 3.2Å; S119-D184 PolarHBondContact O-N 2.96Å; S119-D184 PolarHBondContact OG-OD2 3.18Å
120	A	91.9	Very high	89.6	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.2	175.6	0	0	0	0	0	112.3	W86 A141 H142 F144 V181 N182 A183	W86-A120 HydrophobicContact CH2-CB 3.32Å; W86-A120 HydrophobicContact CZ2-CB 4.03Å; W86-A120 HydrophobicContact CZ3-CB 3.98Å; A120-A141 WeakPolarHBondContact O-CA 3.33Å; A120-H142 PolarHBondContact N-O 3.31Å; A120-H142 PolarHBondContact O-N 2.79Å; A120-F144 HydrophobicContact CB-CD2 4.28Å; A120-F144 HydrophobicContact CB-CE2 4.07Å; A120-V181 HydrophobicContact CB-CG2 4.12Å; A120-N182 CarbonylContact C-O 3.09Å; A120-N182 VanDerWaalsContact CA-O 3.29Å; A120-N182 WeakPolarHBondContact CA-O 3.41Å; A120-N182 WeakPolarHBondContact CB-O 3.34Å; A120-A183 HydrophobicContact CB-CB 3.93Å
121	S	93	Very high	89.5	Confident	43 Å²	43	53.1 Å²	53.1	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.6	165.7	61.8	0	0	0	0	109.2	I140 N182	S121-I140 CarbonylContact C-O 3.54Å; S121-I140 VanDerWaalsContact CA-O 3.29Å; S121-I140 WeakPolarHBondContact CA-O 3.18Å; S121-N182 PolarHBondContact N-O 2.69Å; S121-N182 PolarHBondContact O-N 3.39Å; S121-N182 VanDerWaalsContact O-O 3.12Å
122	A	95.2	Very high	89.4	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.6	179.1	0	0	0	0	0	112.6	L105 L124 Q139 I140 V179 H180 V181	L105-A122 HydrophobicContact CD2-CB 3.54Å; A122-L124 HydrophobicContact CB-CD1 4.1Å; A122-Q139 CarbonylContact O-C 3.47Å; A122-Q139 WeakPolarHBondContact O-CA 3.35Å; A122-I140 HydrophobicContact CB-CD1 4.18Å; A122-I140 HydrophobicContact CB-CG1 3.83Å; A122-I140 PolarHBondContact N-O 3.39Å; A122-I140 PolarHBondContact O-N 3.29Å; A122-V179 HydrophobicContact CB-CG1 3.88Å; A122-H180 CarbonylContact C-O 3.51Å; A122-H180 WeakPolarHBondContact CA-O 3.5Å; A122-V181 HydrophobicContact CB-CB 4.33Å; A122-V181 HydrophobicContact CB-CG2 4.49Å
123	V	96.1	Very high	89.8	Confident	32 Å²	32	49.4 Å²	49.4	19%	0.194	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.6	172	-172	0	0	0	0	108	K125 Q139 V179 H180	V123-K125 HydrophobicContact CG1-CD 4.49Å; V123-K125 HydrophobicContact CG1-CG 3.96Å; V123-Q139 HydrophobicContact CG2-CG 4.17Å; V123-V179 WeakPolarHBondContact O-CA 3.37Å; V123-H180 HydrophobicContact CB-CB 4.46Å; V123-H180 PolarHBondContact N-O 3.28Å; V123-H180 PolarHBondContact O-N 2.73Å
124	L	96.5	Very high	90.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.9	175.7	-77.3	66.3	0	0	0	108.1	F103 A122 S137 R138 I140 Y153 F156 V179	F103-L124 HydrophobicContact CB-CD2 4.43Å; F103-L124 HydrophobicContact CD1-CB 4.03Å; F103-L124 HydrophobicContact CD1-CD2 4.15Å; F103-L124 HydrophobicContact CD1-CG 4.44Å; F103-L124 HydrophobicContact CD2-CD2 3.93Å; F103-L124 HydrophobicContact CD2-CG 4.4Å; F103-L124 HydrophobicContact CE1-CB 3.68Å; F103-L124 HydrophobicContact CE1-CD2 4.42Å; F103-L124 HydrophobicContact CE1-CG 4.21Å; F103-L124 HydrophobicContact CE2-CB 4.47Å; F103-L124 HydrophobicContact CE2-CD2 4.16Å; F103-L124 HydrophobicContact CE2-CG 4.12Å; F103-L124 HydrophobicContact CG-CD2 3.91Å; F103-L124 HydrophobicContact CZ-CB 3.92Å; F103-L124 HydrophobicContact CZ-CD2 4.41Å; F103-L124 HydrophobicContact CZ-CG 4.04Å; F103-L124 WeakPolarHBondContact O-CD2 3.09Å; A122-L124 HydrophobicContact CB-CD1 4.1Å; L124-S137 CarbonylContact O-C 3.56Å; L124-S137 WeakPolarHBondContact O-CA 3.14Å; L124-R138 PolarHBondContact N-O 2.75Å; L124-R138 PolarHBondContact O-N 3.48Å; L124-I140 HydrophobicContact CD1-CD1 3.64Å; L124-I140 HydrophobicContact CD1-CG1 3.72Å; L124-I140 HydrophobicContact CD1-CG2 4.35Å; L124-Y153 HydrophobicContact CD2-CD2 4.35Å; L124-F156 HydrophobicContact CB-CE2 3.68Å; L124-F156 HydrophobicContact CB-CZ 4.04Å; L124-F156 HydrophobicContact CD2-CE2 4.34Å; L124-F156 WeakPolarHBondContact O-CZ 3.32Å; L124-V179 HydrophobicContact CB-CG2 4.47Å; L124-V179 HydrophobicContact CD1-CG1 4.23Å; L124-V179 HydrophobicContact CD1-CG2 4.46Å; L124-V179 HydrophobicContact CG-CG2 3.9Å
125	K	95.8	Very high	90.8	Very high	51 Å²	51	53.2 Å²	53.2	22%	0.222	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.7	-177.7	-48.6	-171.6	-165.2	150.6	0	112.3	F103 V123 Y136 L177 E178	F103-K125 WeakPolarHBondContact CE1-O 3.44Å; V123-K125 HydrophobicContact CG1-CD 4.49Å; V123-K125 HydrophobicContact CG1-CG 3.96Å; K125-Y136 CarbonylContact C-O 3.6Å; K125-Y136 VanDerWaalsContact CA-O 3.31Å; K125-Y136 WeakPolarHBondContact CA-O 3.33Å; K125-L177 WeakPolarHBondContact O-CA 3.47Å; K125-E178 HydrophobicContact CB-CB 4.34Å; K125-E178 PolarHBondContact N-O 3.46Å; K125-E178 IonicContact NZ-OE1 3.98Å; K125-E178 PolarHBondContact NZ-OE1 2.87Å; K125-E178 PolarHBondContact O-N 3Å
126	V	95.4	Very high	91.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.2	160.5	176.9	0	0	0	0	106.4	Y136 F156 L162 F169 L177	V126-Y136 PolarHBondContact N-O 2.66Å; V126-Y136 PolarHBondContact O-N 3.36Å; V126-F156 HydrophobicContact CG2-CD1 3.99Å; V126-F156 HydrophobicContact CG2-CE1 3.67Å; V126-L162 HydrophobicContact CG1-CD2 3.85Å; V126-L162 HydrophobicContact CG2-CD2 4.37Å; V126-F169 HydrophobicContact CG1-CB 4.11Å; V126-F169 HydrophobicContact CG1-CD1 3.77Å; V126-F169 HydrophobicContact CG1-CG 4.07Å; V126-L177 HydrophobicContact CB-CD2 4.37Å; V126-L177 HydrophobicContact CG2-CD2 3.63Å
127	K	93.1	Very high	91.5	Very high	66 Å²	66	55.8 Å²	55.8	29%	0.287	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.4	136.9	-176.4	-55.9	-164.1	76.9	152.1	0	111.4	D135 V176 E178	K127-D135 VanDerWaalsContact CA-OD1 3.28Å; K127-D135 WeakPolarHBondContact CA-OD1 3.3Å; K127-V176 HydrophobicContact CB-CB 4.2Å; K127-V176 HydrophobicContact CB-CG1 4.4Å; K127-V176 HydrophobicContact CD-CG1 3.9Å; K127-V176 HydrophobicContact CG-CB 4.44Å; K127-V176 HydrophobicContact CG-CG1 4.13Å; K127-V176 PolarHBondContact N-O 3.13Å; K127-E178 HydrophobicContact CD-CB 4.13Å; K127-E178 WeakPolarHBondContact CE-OE2 3.42Å; K127-E178 HydrophobicContact CG-CB 4.1Å; K127-E178 IonicContact NZ-OE2 3.64Å; K127-E178 PolarHBondContact NZ-OE2 2.83Å
128	A	92	Very high	91.7	Very high	23 Å²	23	57.8 Å²	57.8	19%	0.19	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.2	134.8	166.4	0	0	0	0	0	109.9	V133 D135	A128-V133 HydrophobicContact CB-CB 3.84Å; A128-V133 HydrophobicContact CB-CG1 3.71Å; A128-V133 WeakPolarHBondContact CB-O 3.48Å; A128-D135 PolarHBondContact N-OD1 3.49Å
129	Q	90.9	Very high	91.8	Very high	60 Å²	60	64.3 Å²	64.3	28%	0.28	35%	0.345	S	S	.	.			trans	-109.9	3.7	178.7	-64.5	-175	81.1	0	0	112.5	G168 F169 K171 T174	Q129-G168 WeakPolarHBondContact CA-O 3.26Å; Q129-G168 PolarHBondContact N-O 2.88Å; Q129-F169 PolarHBondContact NE2-O 3Å; Q129-K171 HydrophobicContact CB-CB 4.02Å; Q129-T174 PolarHBondContact NE2-O 3.3Å
130	Q	88	Confident	91.9	Very high	99 Å²	99	62.8 Å²	62.8	46%	0.463	33%	0.333	S	S	.	.	S	Bend	trans	-115.7	136.8	176.2	-176	174.3	-8.2	0	0	110.1	G132 V133 G168	Q130-G132 PolarHBondContact O-N 2.87Å; Q130-V133 HydrophobicContact CB-CG2 4.09Å; Q130-V133 HydrophobicContact CG-CG2 4.33Å; Q130-V133 PolarHBondContact O-N 3.07Å; Q130-G168 PolarHBondContact N-O 2.84Å
131	E	84.4	Confident	91.8	Very high	197 Å²	197	65 Å²	65	92%	0.921	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	128.9	178.3	-167.2	170.9	-169.4	0	0	110.8
132	G	84.6	Confident	91.7	Very high	85 Å²	85	63.8 Å²	63.8	88%	0.876	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-3.6	-178.4	0	0	0	0	0	115.8	Q130	Q130-G132 PolarHBondContact O-N 2.87Å
133	V	86.5	Confident	91.4	Very high	45 Å²	45	67.3 Å²	67.3	27%	0.273	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-96.1	136.1	172	178.1	0	0	0	0	109.4	A128 Q130 R167	A128-V133 HydrophobicContact CB-CB 3.84Å; A128-V133 HydrophobicContact CB-CG1 3.71Å; A128-V133 WeakPolarHBondContact CB-O 3.48Å; Q130-V133 HydrophobicContact CB-CG2 4.09Å; Q130-V133 HydrophobicContact CG-CG2 4.33Å; Q130-V133 PolarHBondContact O-N 3.07Å; V133-R167 VanDerWaalsContact CG1-O 3.24Å; V133-R167 WeakPolarHBondContact CG1-O 3.44Å
134	E	89	Confident	91.3	Very high	170 Å²	170	65.8 Å²	65.8	79%	0.794	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-85	149	176.5	-65.9	-174.5	166.6	0	0	112.2
135	D	91.7	Very high	91	Very high	62 Å²	62	69.3 Å²	69.3	33%	0.332	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.9	139.3	172.2	-68	-9.7	0	0	0	110.8	K127 A128	K127-D135 VanDerWaalsContact CA-OD1 3.28Å; K127-D135 WeakPolarHBondContact CA-OD1 3.3Å; A128-D135 PolarHBondContact N-OD1 3.49Å
136	Y	93	Very high	90.7	Very high	78 Å²	78	68.8 Å²	68.8	31%	0.306	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.4	171.5	-173.9	-93.1	0	0	0	109.9	K125 V126 R138 F156 L157	K125-Y136 CarbonylContact C-O 3.6Å; K125-Y136 VanDerWaalsContact CA-O 3.31Å; K125-Y136 WeakPolarHBondContact CA-O 3.33Å; V126-Y136 PolarHBondContact N-O 2.66Å; V126-Y136 PolarHBondContact O-N 3.36Å; Y136-R138 HydrophobicContact CE1-CG 4.11Å; Y136-R138 PolarHBondContact OH-NE 2.9Å; Y136-R138 VanDerWaalsContact OH-NE 3.09Å; Y136-R138 PolarHBondContact OH-NH2 3.06Å; Y136-F156 HydrophobicContact CD1-CD1 4.21Å; Y136-F156 AromaticContact CD1-CE1 3.57Å; Y136-F156 HydrophobicContact CD1-CE1 3.57Å; Y136-F156 HydrophobicContact CD1-CZ 4.12Å; Y136-F156 HydrophobicContact CE1-CD1 4.27Å; Y136-F156 AromaticContact CE1-CE1 3.91Å; Y136-F156 HydrophobicContact CE1-CE1 3.91Å; Y136-F156 HydrophobicContact CE1-CZ 4.29Å; Y136-L157 HydrophobicContact CD1-CD1 3.33Å; Y136-L157 HydrophobicContact CD2-CD1 3.89Å; Y136-L157 HydrophobicContact CE1-CD1 3.37Å; Y136-L157 HydrophobicContact CE2-CD1 3.94Å; Y136-L157 HydrophobicContact CG-CD1 3.59Å
137	S	93.5	Very high	90.5	Very high	63 Å²	63	77.6 Å²	77.6	44%	0.441	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	-175.5	68.3	0	0	0	0	113.8	L124	L124-S137 CarbonylContact O-C 3.56Å; L124-S137 WeakPolarHBondContact O-CA 3.14Å
138	R	93.9	Very high	90.4	Very high	80 Å²	80	78.1 Å²	78.1	30%	0.302	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.1	166.5	-61	-174.4	173.9	178.9	1.1	110	L124 Y136 Y153 F156	L124-R138 PolarHBondContact N-O 2.75Å; L124-R138 PolarHBondContact O-N 3.48Å; Y136-R138 HydrophobicContact CE1-CG 4.11Å; Y136-R138 PolarHBondContact OH-NE 2.9Å; Y136-R138 VanDerWaalsContact OH-NE 3.09Å; Y136-R138 PolarHBondContact OH-NH2 3.06Å; R138-Y153 HydrophobicContact CB-CD2 4.45Å; R138-Y153 HydrophobicContact CB-CE2 3.66Å; R138-Y153 HydrophobicContact CG-CE2 4.48Å; R138-F156 HydrophobicContact CB-CE2 3.73Å; R138-F156 HydrophobicContact CB-CZ 4.21Å; R138-F156 HydrophobicContact CG-CE2 3.88Å; R138-F156 HydrophobicContact CG-CZ 4.14Å; R138-F156 PolarHBondContact NH2-O 2.81Å
139	Q	92.9	Very high	90.5	Very high	138 Å²	138	78.4 Å²	78.4	65%	0.645	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.3	-179.9	-57.8	-171.4	-15.5	0	0	111.1	A122 V123 Y153	A122-Q139 CarbonylContact O-C 3.47Å; A122-Q139 WeakPolarHBondContact O-CA 3.35Å; V123-Q139 HydrophobicContact CG2-CG 4.17Å; Q139-Y153 PolarHBondContact O-OH 2.85Å
140	I	92.8	Very high	90.6	Very high	16 Å²	16	78.3 Å²	78.3	8%	0.082	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.3	169.1	62.2	172.6	0	0	0	109.4	L105 S121 A122 L124 Y153	L105-I140 HydrophobicContact CB-CD1 4.06Å; L105-I140 HydrophobicContact CD2-CD1 4.36Å; S121-I140 CarbonylContact C-O 3.54Å; S121-I140 VanDerWaalsContact CA-O 3.29Å; S121-I140 WeakPolarHBondContact CA-O 3.18Å; A122-I140 HydrophobicContact CB-CD1 4.18Å; A122-I140 HydrophobicContact CB-CG1 3.83Å; A122-I140 PolarHBondContact N-O 3.39Å; A122-I140 PolarHBondContact O-N 3.29Å; L124-I140 HydrophobicContact CD1-CD1 3.64Å; L124-I140 HydrophobicContact CD1-CG1 3.72Å; L124-I140 HydrophobicContact CD1-CG2 4.35Å; I140-Y153 HydrophobicContact CG2-CD2 4.26Å; I140-Y153 HydrophobicContact CG2-CE2 3.48Å; I140-Y153 VanDerWaalsContact CG2-CE2 3.48Å
141	A	89.6	Confident	91	Very high	51 Å²	51	78.7 Å²	78.7	42%	0.421	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.4	166.7	0	0	0	0	0	107.8	A120	A120-A141 WeakPolarHBondContact O-CA 3.33Å
142	H	90.7	Very high	91.5	Very high	18 Å²	18	70.3 Å²	70.3	8%	0.083	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.8	-172.4	-170.4	62.1	0	0	0	112.2	A120 F144 E148 W151	A120-H142 PolarHBondContact N-O 3.31Å; A120-H142 PolarHBondContact O-N 2.79Å; H142-F144 HydrophobicContact CB-CD2 4.48Å; H142-F144 HydrophobicContact CB-CE2 3.97Å; H142-F144 HydrophobicContact CB-CZ 4.23Å; H142-E148 IonicContact CE1-OE2 3.06Å; H142-E148 PolarHBondContact CE1-OE2 2.67Å; H142-E148 IonicContact NE2-OE2 2.85Å; H142-W151 HydrophobicContact CB-CB 4.03Å; H142-W151 HydrophobicContact CB-CD2 4.24Å; H142-W151 HydrophobicContact CB-CG 3.69Å; H142-W151 AromaticContact CD2-CD2 3.79Å; H142-W151 AromaticContact CD2-CE3 3.93Å; H142-W151 AromaticContact CD2-CG 3.64Å; H142-W151 AromaticContact CE1-CD2 3.56Å; H142-W151 AromaticContact CE1-CE3 3.27Å; H142-W151 AromaticContact CE1-CH2 3.99Å; H142-W151 AromaticContact CE1-CZ3 3.5Å; H142-W151 AromaticContact CG-CD1 3.79Å; H142-W151 AromaticContact CG-CD2 3.57Å; H142-W151 AromaticContact CG-CE2 4Å; H142-W151 AromaticContact CG-CG 3.44Å; H142-W151 VanDerWaalsContact CG-CG 3.44Å; H142-W151 AromaticContact ND1-CD2 3.42Å; H142-W151 AromaticContact ND1-CE2 3.58Å; H142-W151 AromaticContact ND1-CE3 3.66Å; H142-W151 AromaticContact ND1-CG 3.83Å; H142-W151 AromaticContact ND1-CZ2 3.98Å; H142-W151 AromaticContact NE2-CD2 3.77Å; H142-W151 AromaticContact NE2-CE3 3.42Å
143	I	89.8	Confident	91.9	Very high	79 Å²	79	69.6 Å²	69.6	41%	0.405	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.2	171.4	-57.5	175	0	0	0	106.9	Y145	I143-Y145 VanDerWaalsContact O-CD1 3.3Å; I143-Y145 WeakPolarHBondContact O-CD1 3.3Å
144	F	92.5	Very high	92.1	Very high	1 Å²	1	71.1 Å²	71.1	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.7	178.7	-64	-94.4	0	0	0	110.5	W86 L105 C107 W116 S117 C118 A120 H142 E148 W151	W86-F144 AromaticContact CH2-CD2 3.7Å; W86-F144 HydrophobicContact CH2-CD2 3.7Å; W86-F144 AromaticContact CH2-CE2 3.95Å; W86-F144 HydrophobicContact CH2-CE2 3.95Å; W86-F144 HydrophobicContact CH2-CG 4.25Å; W86-F144 HydrophobicContact CZ3-CD1 4.45Å; W86-F144 AromaticContact CZ3-CD2 3.76Å; W86-F144 HydrophobicContact CZ3-CD2 3.76Å; W86-F144 HydrophobicContact CZ3-CE1 4.33Å; W86-F144 AromaticContact CZ3-CE2 3.64Å; W86-F144 HydrophobicContact CZ3-CE2 3.64Å; W86-F144 HydrophobicContact CZ3-CG 4.17Å; W86-F144 AromaticContact CZ3-CZ 3.94Å; W86-F144 HydrophobicContact CZ3-CZ 3.94Å; L105-F144 HydrophobicContact CB-CZ 4.47Å; L105-F144 HydrophobicContact CD2-CZ 4.14Å; L105-F144 HydrophobicContact CG-CZ 4.3Å; L105-F144 WeakPolarHBondContact O-CE1 3.18Å; C107-F144 HydrophobicContact CB-CB 3.79Å; C107-F144 HydrophobicContact CB-CD1 3.64Å; C107-F144 HydrophobicContact CB-CE1 4.35Å; C107-F144 HydrophobicContact CB-CG 3.72Å; W116-F144 HydrophobicContact CH2-CB 3.97Å; W116-F144 HydrophobicContact CZ3-CB 3.93Å; W116-F144 WeakPolarHBondContact CZ3-O 3.24Å; S117-F144 CarbonylContact C-O 3.55Å; S117-F144 WeakPolarHBondContact CA-O 3.29Å; C118-F144 PolarHBondContact N-O 2.87Å; C118-F144 PolarHBondContact O-N 3.01Å; A120-F144 HydrophobicContact CB-CD2 4.28Å; A120-F144 HydrophobicContact CB-CE2 4.07Å; H142-F144 HydrophobicContact CB-CD2 4.48Å; H142-F144 HydrophobicContact CB-CE2 3.97Å; H142-F144 HydrophobicContact CB-CZ 4.23Å; F144-E148 WeakPolarHBondContact CA-O 3.42Å; F144-W151 HydrophobicContact CE1-CB 3.75Å; F144-W151 HydrophobicContact CZ-CB 3.88Å
145	Y	91.3	Very high	92.1	Very high	74 Å²	74	66.1 Å²	66.1	29%	0.29	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-156.7	168.7	177.1	63.8	-80.9	0	0	0	109.2	W116 I143 K147 E148 N149	W116-Y145 WeakPolarHBondContact O-CB 2.9Å; I143-Y145 VanDerWaalsContact O-CD1 3.3Å; I143-Y145 WeakPolarHBondContact O-CD1 3.3Å; Y145-K147 HydrophobicContact CD2-CB 4.07Å; Y145-K147 HydrophobicContact CD2-CG 4.44Å; Y145-K147 HydrophobicContact CE2-CB 3.59Å; Y145-K147 HydrophobicContact CE2-CD 4.25Å; Y145-K147 HydrophobicContact CE2-CG 4.12Å; Y145-K147 PolarHBondContact O-N 2.83Å; Y145-E148 HydrophobicContact CD1-CB 4.08Å; Y145-E148 HydrophobicContact CE1-CB 3.52Å; Y145-E148 HydrophobicContact CE1-CG 3.84Å; Y145-E148 VanDerWaalsContact CE1-OE2 3.26Å; Y145-E148 WeakPolarHBondContact CE1-OE2 3.35Å; Y145-E148 HydrophobicContact CE2-CG 4.49Å; Y145-E148 PolarHBondContact N-O 3.39Å; Y145-E148 CarbonylContact O-C 3.52Å; Y145-E148 PolarHBondContact O-N 2.67Å; Y145-E148 VanDerWaalsContact OH-CG 3.3Å; Y145-E148 WeakPolarHBondContact OH-CG 3.37Å; Y145-E148 PolarHBondContact OH-OE1 2.92Å; Y145-E148 PolarHBondContact OH-OE2 2.77Å; Y145-E148 VanDerWaalsContact OH-OE2 3.05Å; Y145-N149 WeakPolarHBondContact O-CA 3.44Å; Y145-N149 PolarHBondContact O-N 2.99Å
146	P	89.7	Confident	92.1	Very high	39 Å²	39	63.2 Å²	63.2	25%	0.253	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-36.2	-170	-32.2	33.3	0	0	0	116.6	S113 W116 N149	S113-P146 WeakPolarHBondContact O-CG 3.48Å; W116-P146 HydrophobicContact CG-CG 4.38Å; W116-P146 WeakPolarHBondContact O-CD 3.46Å; P146-N149 PolarHBondContact O-ND2 3.09Å
147	K	89.9	Confident	92	Very high	186 Å²	186	60.2 Å²	60.2	81%	0.809	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-31.5	179.8	-55.1	-180	177.8	173.7	0	113.5	Y145	Y145-K147 HydrophobicContact CD2-CB 4.07Å; Y145-K147 HydrophobicContact CD2-CG 4.44Å; Y145-K147 HydrophobicContact CE2-CB 3.59Å; Y145-K147 HydrophobicContact CE2-CD 4.25Å; Y145-K147 HydrophobicContact CE2-CG 4.12Å; Y145-K147 PolarHBondContact O-N 2.83Å
148	E	91.9	Very high	91.8	Very high	77 Å²	77	59 Å²	59	36%	0.36	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-120.9	64.2	175	-62.9	179.7	169.7	0	0	108.1	H142 F144 Y145 D150	H142-E148 IonicContact CE1-OE2 3.06Å; H142-E148 PolarHBondContact CE1-OE2 2.67Å; H142-E148 IonicContact NE2-OE2 2.85Å; F144-E148 WeakPolarHBondContact CA-O 3.42Å; Y145-E148 HydrophobicContact CD1-CB 4.08Å; Y145-E148 HydrophobicContact CE1-CB 3.52Å; Y145-E148 HydrophobicContact CE1-CG 3.84Å; Y145-E148 VanDerWaalsContact CE1-OE2 3.26Å; Y145-E148 WeakPolarHBondContact CE1-OE2 3.35Å; Y145-E148 HydrophobicContact CE2-CG 4.49Å; Y145-E148 PolarHBondContact N-O 3.39Å; Y145-E148 CarbonylContact O-C 3.52Å; Y145-E148 PolarHBondContact O-N 2.67Å; Y145-E148 VanDerWaalsContact OH-CG 3.3Å; Y145-E148 WeakPolarHBondContact OH-CG 3.37Å; Y145-E148 PolarHBondContact OH-OE1 2.92Å; Y145-E148 PolarHBondContact OH-OE2 2.77Å; Y145-E148 VanDerWaalsContact OH-OE2 3.05Å; E148-D150 VanDerWaalsContact C-N 3.27Å
149	N	93.2	Very high	91.5	Very high	29 Å²	29	55.7 Å²	55.7	16%	0.155	29%	0.287	C	S	.	.			trans	-84.2	-6.1	-178.6	63.8	67.3	0	0	0	112.2	Q106 C107 A109 W116 Y145 P146	Q106-N149 CarbonylContact C-O 3.52Å; Q106-N149 WeakPolarHBondContact CA-O 3.39Å; C107-N149 PolarHBondContact N-O 3.22Å; A109-N149 HydrophobicContact CB-CB 4.14Å; A109-N149 VanDerWaalsContact CB-OD1 3.26Å; A109-N149 WeakPolarHBondContact CB-OD1 3.43Å; W116-N149 HydrophobicContact CH2-CB 4.5Å; W116-N149 HydrophobicContact CZ2-CB 4.22Å; Y145-N149 WeakPolarHBondContact O-CA 3.44Å; Y145-N149 PolarHBondContact O-N 2.99Å; P146-N149 PolarHBondContact O-ND2 3.09Å
150	D	93.9	Very high	91.2	Very high	58 Å²	58	55.1 Å²	55.1	31%	0.31	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.1	173.6	71.1	77.4	0	0	0	111.1	M89 L105 Q106 E148	M89-D150 HydrophobicContact CE-CB 3.84Å; L105-D150 CarbonylContact O-C 3.49Å; L105-D150 VanDerWaalsContact O-CA 3.3Å; L105-D150 WeakPolarHBondContact O-CA 3.48Å; Q106-D150 HydrophobicContact CB-CB 4.26Å; Q106-D150 HydrophobicContact CG-CB 4.39Å; E148-D150 VanDerWaalsContact C-N 3.27Å
151	W	95.8	Very high	91.1	Very high	107 Å²	107	54.5 Å²	54.5	41%	0.405	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144	177.6	-160	-105.3	0	0	0	111.2	F104 L105 H142 F144	F104-W151 WeakPolarHBondContact CA-O 3.48Å; L105-W151 PolarHBondContact N-O 3.35Å; L105-W151 PolarHBondContact O-N 2.87Å; H142-W151 HydrophobicContact CB-CB 4.03Å; H142-W151 HydrophobicContact CB-CD2 4.24Å; H142-W151 HydrophobicContact CB-CG 3.69Å; H142-W151 AromaticContact CD2-CD2 3.79Å; H142-W151 AromaticContact CD2-CE3 3.93Å; H142-W151 AromaticContact CD2-CG 3.64Å; H142-W151 AromaticContact CE1-CD2 3.56Å; H142-W151 AromaticContact CE1-CE3 3.27Å; H142-W151 AromaticContact CE1-CH2 3.99Å; H142-W151 AromaticContact CE1-CZ3 3.5Å; H142-W151 AromaticContact CG-CD1 3.79Å; H142-W151 AromaticContact CG-CD2 3.57Å; H142-W151 AromaticContact CG-CE2 4Å; H142-W151 AromaticContact CG-CG 3.44Å; H142-W151 VanDerWaalsContact CG-CG 3.44Å; H142-W151 AromaticContact ND1-CD2 3.42Å; H142-W151 AromaticContact ND1-CE2 3.58Å; H142-W151 AromaticContact ND1-CE3 3.66Å; H142-W151 AromaticContact ND1-CG 3.83Å; H142-W151 AromaticContact ND1-CZ2 3.98Å; H142-W151 AromaticContact NE2-CD2 3.77Å; H142-W151 AromaticContact NE2-CE3 3.42Å; F144-W151 HydrophobicContact CE1-CB 3.75Å; F144-W151 HydrophobicContact CZ-CB 3.88Å
152	G	94.4	Very high	91	Very high	20 Å²	20	52 Å²	52	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-149.8	-178.2	0	0	0	0	0	113.2
153	Y	93.5	Very high	90.9	Very high	71 Å²	71	54.5 Å²	54.5	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.4	-171.7	-63	-86.4	0	0	0	110.9	G102 F103 L124 R138 Q139 I140 S155 F156	G102-Y153 WeakPolarHBondContact CA-O 3.41Å; F103-Y153 PolarHBondContact N-O 3.09Å; F103-Y153 PolarHBondContact O-N 2.98Å; L124-Y153 HydrophobicContact CD2-CD2 4.35Å; R138-Y153 HydrophobicContact CB-CD2 4.45Å; R138-Y153 HydrophobicContact CB-CE2 3.66Å; R138-Y153 HydrophobicContact CG-CE2 4.48Å; Q139-Y153 PolarHBondContact O-OH 2.85Å; I140-Y153 HydrophobicContact CG2-CD2 4.26Å; I140-Y153 HydrophobicContact CG2-CE2 3.48Å; I140-Y153 VanDerWaalsContact CG2-CE2 3.48Å; Y153-S155 PolarHBondContact O-N 3.47Å; Y153-F156 AromaticContact CD2-CD2 3.59Å; Y153-F156 HydrophobicContact CD2-CD2 3.59Å; Y153-F156 AromaticContact CD2-CE2 3.96Å; Y153-F156 HydrophobicContact CD2-CE2 3.96Å; Y153-F156 HydrophobicContact CE2-CD2 4.4Å; Y153-F156 HydrophobicContact CE2-CE2 4.36Å; Y153-F156 HydrophobicContact CG-CD2 4Å
154	T	90.8	Very high	90.9	Very high	77 Å²	77	53.2 Å²	53.2	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-27.4	172.4	-25	0	0	0	0	112.4	R93 F104	R93-T154 HydrophobicContact CG-CG2 3.98Å; R93-T154 WeakPolarHBondContact CG-O 3.18Å; F104-T154 HydrophobicContact CZ-CG2 4.39Å
155	S	89.4	Confident	90.6	Very high	64 Å²	64	57.3 Å²	57.3	45%	0.448	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	83	175.8	177	0	0	0	0	109.5	A100 Y153	A100-S155 WeakPolarHBondContact CB-OG 3.07Å; Y153-S155 PolarHBondContact O-N 3.47Å
156	F	91.8	Very high	90.3	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-56.1	-179.5	-169	-93.9	0	0	0	111.7	L101 F103 L124 V126 Y136 R138 Y153	L101-F156 VanDerWaalsContact O-CB 3.3Å; L101-F156 WeakPolarHBondContact O-CB 3.1Å; L101-F156 PolarHBondContact O-N 2.88Å; F103-F156 HydrophobicContact CB-CB 3.83Å; F103-F156 HydrophobicContact CB-CD1 4.49Å; F103-F156 HydrophobicContact CB-CD2 4.05Å; F103-F156 HydrophobicContact CB-CG 3.89Å; F103-F156 AromaticContact CD1-CD1 3.9Å; F103-F156 HydrophobicContact CD1-CD1 3.9Å; F103-F156 AromaticContact CD1-CD2 3.96Å; F103-F156 HydrophobicContact CD1-CD2 3.96Å; F103-F156 AromaticContact CD1-CE1 3.87Å; F103-F156 HydrophobicContact CD1-CE1 3.87Å; F103-F156 AromaticContact CD1-CE2 3.93Å; F103-F156 HydrophobicContact CD1-CE2 3.93Å; F103-F156 AromaticContact CD1-CG 3.95Å; F103-F156 HydrophobicContact CD1-CG 3.95Å; F103-F156 AromaticContact CD1-CZ 3.91Å; F103-F156 HydrophobicContact CD1-CZ 3.91Å; F103-F156 HydrophobicContact CE1-CE1 4.36Å; F103-F156 HydrophobicContact CE1-CZ 4.24Å; F103-F156 HydrophobicContact CG-CD2 4.41Å; F103-F156 HydrophobicContact CG-CG 4.44Å; L124-F156 HydrophobicContact CB-CE2 3.68Å; L124-F156 HydrophobicContact CB-CZ 4.04Å; L124-F156 HydrophobicContact CD2-CE2 4.34Å; L124-F156 WeakPolarHBondContact O-CZ 3.32Å; V126-F156 HydrophobicContact CG2-CD1 3.99Å; V126-F156 HydrophobicContact CG2-CE1 3.67Å; Y136-F156 HydrophobicContact CD1-CD1 4.21Å; Y136-F156 AromaticContact CD1-CE1 3.57Å; Y136-F156 HydrophobicContact CD1-CE1 3.57Å; Y136-F156 HydrophobicContact CD1-CZ 4.12Å; Y136-F156 HydrophobicContact CE1-CD1 4.27Å; Y136-F156 AromaticContact CE1-CE1 3.91Å; Y136-F156 HydrophobicContact CE1-CE1 3.91Å; Y136-F156 HydrophobicContact CE1-CZ 4.29Å; R138-F156 HydrophobicContact CB-CE2 3.73Å; R138-F156 HydrophobicContact CB-CZ 4.21Å; R138-F156 HydrophobicContact CG-CE2 3.88Å; R138-F156 HydrophobicContact CG-CZ 4.14Å; R138-F156 PolarHBondContact NH2-O 2.81Å; Y153-F156 AromaticContact CD2-CD2 3.59Å; Y153-F156 HydrophobicContact CD2-CD2 3.59Å; Y153-F156 AromaticContact CD2-CE2 3.96Å; Y153-F156 HydrophobicContact CD2-CE2 3.96Å; Y153-F156 HydrophobicContact CE2-CD2 4.4Å; Y153-F156 HydrophobicContact CE2-CE2 4.36Å; Y153-F156 HydrophobicContact CG-CD2 4Å
157	L	90.3	Very high	90.2	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.2	172.6	-144.4	91.1	0	0	0	109.9	A100 L101 Y136 A161 L162 F169	A100-L157 WeakPolarHBondContact CA-O 3.42Å; A100-L157 WeakPolarHBondContact CB-O 3.29Å; L101-L157 PolarHBondContact N-O 3Å; Y136-L157 HydrophobicContact CD1-CD1 3.33Å; Y136-L157 HydrophobicContact CD2-CD1 3.89Å; Y136-L157 HydrophobicContact CE1-CD1 3.37Å; Y136-L157 HydrophobicContact CE2-CD1 3.94Å; Y136-L157 HydrophobicContact CG-CD1 3.59Å; L157-A161 HydrophobicContact CD2-CB 3.6Å; L157-A161 HydrophobicContact CG-CB 4.16Å; L157-L162 HydrophobicContact CB-CD1 4.2Å; L157-L162 HydrophobicContact CB-CD2 4.21Å; L157-L162 HydrophobicContact CB-CG 4.05Å; L157-L162 HydrophobicContact CD2-CD2 3.51Å; L157-L162 HydrophobicContact CD2-CG 3.66Å; L157-L162 HydrophobicContact CG-CD2 4.46Å; L157-L162 HydrophobicContact CG-CG 4.43Å; L157-F169 HydrophobicContact CD2-CD2 4.17Å; L157-F169 HydrophobicContact CD2-CE2 4.09Å
158	S	90.6	Very high	90.1	Very high	38 Å²	38	56 Å²	56	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145	173.5	57	0	0	0	0	111.2	E160 A161 L162	S158-E160 PolarHBondContact O-N 3.23Å; S158-A161 PolarHBondContact O-N 3.13Å; S158-A161 VanDerWaalsContact O-N 3.15Å; S158-A161 WeakPolarHBondContact OG-CB 3.45Å; S158-A161 PolarHBondContact OG-N 3.28Å; S158-L162 PolarHBondContact O-N 3.03Å; S158-L162 VanDerWaalsContact O-N 3.11Å
159	M	87.3	Confident	90.1	Very high	9 Å²	9	53 Å²	53	4%	0.044	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-33.6	174.9	-67	-60.2	-69.9	0	0	112	F67 Q92 R99 A161 L162 L163	F67-M159 HydrophobicContact CD1-CE 4.17Å; F67-M159 HydrophobicContact CE1-CE 3.38Å; F67-M159 HydrophobicContact CE1-SD 3.88Å; F67-M159 HydrophobicContact CE2-CE 4.34Å; F67-M159 HydrophobicContact CZ-CE 3.48Å; F67-M159 VanDerWaalsContact CZ-CE 3.48Å; F67-M159 HydrophobicContact CZ-SD 3.57Å; F67-M159 VanDerWaalsContact CZ-SD 3.57Å; Q92-M159 HydrophobicContact CG-CG 4.48Å; Q92-M159 HydrophobicContact CG-SD 4.47Å; R99-M159 HydrophobicContact CB-CB 3.95Å; R99-M159 HydrophobicContact CB-CG 3.59Å; R99-M159 WeakPolarHBondContact O-CG 3.28Å; R99-M159 PolarHBondContact O-N 3.31Å; M159-A161 VanDerWaalsContact C-N 3.33Å; M159-A161 PolarHBondContact O-N 2.82Å; M159-L162 PolarHBondContact O-N 3.05Å; M159-L162 HydrophobicContact SD-CD1 4.35Å; M159-L163 HydrophobicContact CB-CD1 4.47Å; M159-L163 HydrophobicContact CE-CD1 4.42Å; M159-L163 VanDerWaalsContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CB 3.21Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.44Å; M159-L163 PolarHBondContact O-N 3.15Å
160	E	86.9	Confident	89.9	Confident	127 Å²	127	53 Å²	53	59%	0.593	28%	0.277	S	S	*	.	H	α-helix	trans	-57.1	-47.3	174.3	-67.5	126	-156.2	0	0	111.1	S158 D164	S158-E160 PolarHBondContact O-N 3.23Å; E160-D164 VanDerWaalsContact O-CB 3.31Å; E160-D164 WeakPolarHBondContact O-CB 3.37Å; E160-D164 PolarHBondContact O-N 2.83Å; E160-D164 VanDerWaalsContact O-N 3.1Å
161	A	89	Confident	89.7	Confident	2 Å²	2	55.9 Å²	55.9	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-31.9	177.2	0	0	0	0	0	114.1	L157 S158 M159 R167	L157-A161 HydrophobicContact CD2-CB 3.6Å; L157-A161 HydrophobicContact CG-CB 4.16Å; S158-A161 PolarHBondContact O-N 3.13Å; S158-A161 VanDerWaalsContact O-N 3.15Å; S158-A161 WeakPolarHBondContact OG-CB 3.45Å; S158-A161 PolarHBondContact OG-N 3.28Å; M159-A161 VanDerWaalsContact C-N 3.33Å; M159-A161 PolarHBondContact O-N 2.82Å; A161-R167 VanDerWaalsContact O-CD 3.28Å; A161-R167 WeakPolarHBondContact O-CD 3.19Å
162	L	88.7	Confident	89.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-77.8	-32.3	178.6	-71.5	171.5	0	0	0	112.5	F67 L101 V126 L157 S158 M159 F169 I170	F67-L162 HydrophobicContact CE1-CB 3.71Å; F67-L162 HydrophobicContact CE1-CD1 3.87Å; F67-L162 HydrophobicContact CE1-CG 4.4Å; F67-L162 HydrophobicContact CZ-CB 4.33Å; F67-L162 HydrophobicContact CZ-CD1 3.59Å; L101-L162 HydrophobicContact CB-CD1 3.52Å; L101-L162 HydrophobicContact CD2-CD1 3.76Å; L101-L162 HydrophobicContact CG-CD1 4.23Å; V126-L162 HydrophobicContact CG1-CD2 3.85Å; V126-L162 HydrophobicContact CG2-CD2 4.37Å; L157-L162 HydrophobicContact CB-CD1 4.2Å; L157-L162 HydrophobicContact CB-CD2 4.21Å; L157-L162 HydrophobicContact CB-CG 4.05Å; L157-L162 HydrophobicContact CD2-CD2 3.51Å; L157-L162 HydrophobicContact CD2-CG 3.66Å; L157-L162 HydrophobicContact CG-CD2 4.46Å; L157-L162 HydrophobicContact CG-CG 4.43Å; S158-L162 PolarHBondContact O-N 3.03Å; S158-L162 VanDerWaalsContact O-N 3.11Å; M159-L162 PolarHBondContact O-N 3.05Å; M159-L162 HydrophobicContact SD-CD1 4.35Å; L162-F169 HydrophobicContact CD2-CB 4.29Å; L162-I170 WeakPolarHBondContact O-CB 3.37Å; L162-I170 WeakPolarHBondContact O-CG2 3.37Å
163	L	88.5	Confident	89.2	Confident	69 Å²	69	58.5 Å²	58.5	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-88.3	-11.5	-179.1	-66.4	172.6	0	0	0	113.1	F67 M159 P165 I170	F67-L163 HydrophobicContact CD1-CD2 3.91Å; F67-L163 HydrophobicContact CE1-CD2 4.35Å; M159-L163 HydrophobicContact CB-CD1 4.47Å; M159-L163 HydrophobicContact CE-CD1 4.42Å; M159-L163 VanDerWaalsContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CB 3.21Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.44Å; M159-L163 PolarHBondContact O-N 3.15Å; L163-P165 WeakPolarHBondContact O-CD 3.48Å; L163-I170 HydrophobicContact CD2-CD1 3.74Å
164	D	88.6	Confident	89.1	Confident	53 Å²	53	56.2 Å²	56.2	28%	0.283	30%	0.297	S	S	.	.			trans	-70.4	109	175.5	-175.1	-1.7	0	0	0	110.4	E160 D166 R167	E160-D164 VanDerWaalsContact O-CB 3.31Å; E160-D164 WeakPolarHBondContact O-CB 3.37Å; E160-D164 PolarHBondContact O-N 2.83Å; E160-D164 VanDerWaalsContact O-N 3.1Å; D164-D166 PolarHBondContact O-N 2.91Å; D164-D166 WeakPolarHBondContact OD1-CB 3.43Å; D164-D166 PolarHBondContact OD1-N 3.21Å; D164-D166 VanDerWaalsContact OD1-N 3.08Å; D164-R167 HydrophobicContact CB-CB 4.39Å; D164-R167 HydrophobicContact CB-CG 4.1Å; D164-R167 PolarHBondContact O-N 2.84Å; D164-R167 VanDerWaalsContact O-N 3.15Å; D164-R167 IonicContact OD2-NE 3.5Å
165	P	86.1	Confident	89.2	Confident	87 Å²	87	52.6 Å²	52.6	57%	0.565	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.2	-179.3	-20.4	34.6	0	0	0	112.6	L163 R167 G168	L163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-R167 PolarHBondContact O-N 2.79Å; P165-G168 PolarHBondContact O-N 2.98Å; P165-G168 VanDerWaalsContact O-N 3.13Å
166	D	86	Confident	89.4	Confident	143 Å²	143	50.8 Å²	50.8	77%	0.765	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-70.9	-18.4	-178.7	-64.9	-25.1	0	0	0	112.1	D164	D164-D166 PolarHBondContact O-N 2.91Å; D164-D166 WeakPolarHBondContact OD1-CB 3.43Å; D164-D166 PolarHBondContact OD1-N 3.21Å; D164-D166 VanDerWaalsContact OD1-N 3.08Å
167	R	86.9	Confident	89.6	Confident	126 Å²	126	50.8 Å²	50.8	48%	0.475	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-86.9	-3.8	174.5	-68.2	-174.1	-179.3	-141.5	2.2	113.6	V133 A161 D164 P165 F169	V133-R167 VanDerWaalsContact CG1-O 3.24Å; V133-R167 WeakPolarHBondContact CG1-O 3.44Å; A161-R167 VanDerWaalsContact O-CD 3.28Å; A161-R167 WeakPolarHBondContact O-CD 3.19Å; D164-R167 HydrophobicContact CB-CB 4.39Å; D164-R167 HydrophobicContact CB-CG 4.1Å; D164-R167 PolarHBondContact O-N 2.84Å; D164-R167 VanDerWaalsContact O-N 3.15Å; D164-R167 IonicContact OD2-NE 3.5Å; P165-R167 PolarHBondContact O-N 2.79Å; R167-F169 HydrophobicContact CB-CD2 3.84Å; R167-F169 HydrophobicContact CB-CE2 3.97Å; R167-F169 PolarHBondContact O-N 3.02Å
168	G	89	Confident	89.9	Confident	1 Å²	1	51 Å²	51	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	68.7	2.6	171.4	0	0	0	0	0	117	Q129 Q130 P165	Q129-G168 WeakPolarHBondContact CA-O 3.26Å; Q129-G168 PolarHBondContact N-O 2.88Å; Q130-G168 PolarHBondContact N-O 2.84Å; P165-G168 PolarHBondContact O-N 2.98Å; P165-G168 VanDerWaalsContact O-N 3.13Å
169	F	90.7	Very high	90.2	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	-77.7	-24.6	-180	-61.7	-56.3	0	0	0	113.7	V126 Q129 L157 L162 R167	V126-F169 HydrophobicContact CG1-CB 4.11Å; V126-F169 HydrophobicContact CG1-CD1 3.77Å; V126-F169 HydrophobicContact CG1-CG 4.07Å; Q129-F169 PolarHBondContact NE2-O 3Å; L157-F169 HydrophobicContact CD2-CD2 4.17Å; L157-F169 HydrophobicContact CD2-CE2 4.09Å; L162-F169 HydrophobicContact CD2-CB 4.29Å; R167-F169 HydrophobicContact CB-CD2 3.84Å; R167-F169 HydrophobicContact CB-CE2 3.97Å; R167-F169 PolarHBondContact O-N 3.02Å
170	I	90.6	Very high	90.6	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.149	26%	0.26	C	S	.	.			trans	-112.8	134.7	-177	-168.7	163.8	0	0	0	111.4	F67 L162 L163 I175	F67-I170 HydrophobicContact CD1-CD1 4.42Å; L162-I170 WeakPolarHBondContact O-CB 3.37Å; L162-I170 WeakPolarHBondContact O-CG2 3.37Å; L163-I170 HydrophobicContact CD2-CD1 3.74Å; I170-I175 HydrophobicContact CB-CG2 4.15Å; I170-I175 HydrophobicContact CD1-CG2 4.49Å; I170-I175 HydrophobicContact CG1-CG2 4.19Å
171	K	89.5	Confident	90.9	Very high	118 Å²	118	45.7 Å²	45.7	51%	0.513	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-139.8	129	173	-177.1	179.3	176.7	178.9	0	108.6	Q129 D173 T174	Q129-K171 HydrophobicContact CB-CB 4.02Å; K171-D173 VanDerWaalsContact C-N 3.27Å; K171-D173 PolarHBondContact O-N 3.04Å; K171-T174 PolarHBondContact N-O 2.91Å; K171-T174 VanDerWaalsContact N-O 3.08Å; K171-T174 WeakPolarHBondContact O-CA 3.45Å; K171-T174 VanDerWaalsContact O-CB 3.23Å; K171-T174 WeakPolarHBondContact O-CB 3.29Å; K171-T174 PolarHBondContact O-N 2.81Å
172	D	88.8	Confident	91.1	Very high	139 Å²	139	48.5 Å²	48.5	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	44.6	-179.6	-56.3	-45	0	0	0	113.4	T174	D172-T174 PolarHBondContact O-N 2.92Å; D172-T174 VanDerWaalsContact O-N 3.14Å; D172-T174 PolarHBondContact O-OG1 3.01Å
173	D	89.7	Confident	91.1	Very high	42 Å²	42	48.5 Å²	48.5	23%	0.225	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	30	-175.8	-162.9	22.5	0	0	0	113.5	H66 F67 S68 K171	H66-D173 CarbonylContact C-O 3.58Å; H66-D173 VanDerWaalsContact CA-O 3.31Å; H66-D173 WeakPolarHBondContact CA-O 3.46Å; H66-D173 VanDerWaalsContact CA-OD2 3.26Å; H66-D173 WeakPolarHBondContact CA-OD2 3.47Å; H66-D173 PolarHBondContact N-O 2.84Å; H66-D173 IonicContact ND1-OD2 2.66Å; F67-D173 PolarHBondContact N-O 3.24Å; F67-D173 PolarHBondContact N-OD1 2.74Å; S68-D173 WeakPolarHBondContact CB-OD1 3.38Å; S68-D173 PolarHBondContact N-OD1 2.87Å; S68-D173 VanDerWaalsContact OG-CG 3.23Å; S68-D173 PolarHBondContact OG-OD1 3.21Å; S68-D173 PolarHBondContact OG-OD2 2.92Å; K171-D173 VanDerWaalsContact C-N 3.27Å; K171-D173 PolarHBondContact O-N 3.04Å
174	T	91.6	Very high	91	Very high	24 Å²	24	48 Å²	48	15%	0.147	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.7	-178.5	-56.3	0	0	0	0	110	V63 I64 R65 Q129 K171 D172	V63-T174 HydrophobicContact CG1-CG2 3.36Å; I64-T174 VanDerWaalsContact O-CA 3.27Å; I64-T174 WeakPolarHBondContact O-CA 3.41Å; R65-T174 HydrophobicContact CG-CG2 4.23Å; Q129-T174 PolarHBondContact NE2-O 3.3Å; K171-T174 PolarHBondContact N-O 2.91Å; K171-T174 VanDerWaalsContact N-O 3.08Å; K171-T174 WeakPolarHBondContact O-CA 3.45Å; K171-T174 VanDerWaalsContact O-CB 3.23Å; K171-T174 WeakPolarHBondContact O-CB 3.29Å; K171-T174 PolarHBondContact O-N 2.81Å; D172-T174 PolarHBondContact O-N 2.92Å; D172-T174 VanDerWaalsContact O-N 3.14Å; D172-T174 PolarHBondContact O-OG1 3.01Å
175	I	92.7	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.2	170	67.4	163	0	0	0	110.5	I64 F67 L101 I170 L177	I64-I175 HydrophobicContact CB-CG1 3.93Å; I64-I175 HydrophobicContact CD1-CD1 4.24Å; I64-I175 HydrophobicContact CD1-CG1 4.33Å; I64-I175 HydrophobicContact CG1-CG1 4.4Å; I64-I175 PolarHBondContact N-O 3.15Å; I64-I175 PolarHBondContact O-N 3.16Å; I64-I175 VanDerWaalsContact O-N 3.08Å; F67-I175 HydrophobicContact CB-CG1 4.31Å; F67-I175 HydrophobicContact CB-CG2 4.26Å; F67-I175 HydrophobicContact CD1-CD1 4.25Å; F67-I175 HydrophobicContact CD1-CG1 4.44Å; F67-I175 HydrophobicContact CD1-CG2 3.87Å; F67-I175 HydrophobicContact CD2-CD1 3.4Å; F67-I175 HydrophobicContact CD2-CG1 3.6Å; F67-I175 HydrophobicContact CE1-CD1 4.11Å; F67-I175 HydrophobicContact CE1-CG2 4.39Å; F67-I175 HydrophobicContact CE2-CD1 3.24Å; F67-I175 HydrophobicContact CE2-CG1 4.01Å; F67-I175 HydrophobicContact CG-CD1 3.92Å; F67-I175 HydrophobicContact CG-CG1 3.85Å; F67-I175 HydrophobicContact CG-CG2 3.94Å; F67-I175 HydrophobicContact CZ-CD1 3.63Å; L101-I175 HydrophobicContact CD2-CD1 4.18Å; I170-I175 HydrophobicContact CB-CG2 4.15Å; I170-I175 HydrophobicContact CD1-CG2 4.49Å; I170-I175 HydrophobicContact CG1-CG2 4.19Å; I175-L177 HydrophobicContact CD1-CD2 4.08Å; I175-L177 HydrophobicContact CD1-CG 4.47Å
176	V	94.1	Very high	90.8	Very high	27 Å²	27	41.7 Å²	41.7	16%	0.164	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.1	178.8	-175.5	0	0	0	0	109.5	V63 K127	V63-V176 HydrophobicContact CG2-CG1 4.42Å; V63-V176 HydrophobicContact CG2-CG2 4.29Å; K127-V176 HydrophobicContact CB-CB 4.2Å; K127-V176 HydrophobicContact CB-CG1 4.4Å; K127-V176 HydrophobicContact CD-CG1 3.9Å; K127-V176 HydrophobicContact CG-CB 4.44Å; K127-V176 HydrophobicContact CG-CG1 4.13Å; K127-V176 PolarHBondContact N-O 3.13Å
177	L	95.9	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.7	173	-54.6	-176.5	0	0	0	109.1	N61 L62 I64 I88 A90 L101 F103 K125 V126 I175	N61-L177 CarbonylContact C-O 3.51Å; N61-L177 WeakPolarHBondContact CA-O 3.46Å; L62-L177 HydrophobicContact CB-CB 4.29Å; L62-L177 HydrophobicContact CD2-CD1 4.39Å; L62-L177 PolarHBondContact N-O 2.82Å; L62-L177 PolarHBondContact O-N 2.65Å; I64-L177 HydrophobicContact CD1-CD1 3.83Å; I64-L177 HydrophobicContact CD1-CG 4.4Å; I88-L177 HydrophobicContact CD1-CB 4.33Å; I88-L177 HydrophobicContact CG2-CD1 4.15Å; A90-L177 HydrophobicContact CB-CD1 3.72Å; L101-L177 HydrophobicContact CD2-CD1 4.37Å; L101-L177 HydrophobicContact CD2-CD2 3.96Å; F103-L177 HydrophobicContact CD1-CD2 4.3Å; F103-L177 HydrophobicContact CD2-CD1 4.2Å; F103-L177 HydrophobicContact CE1-CB 4.2Å; F103-L177 HydrophobicContact CE1-CD1 4.49Å; F103-L177 HydrophobicContact CE1-CD2 4.05Å; F103-L177 HydrophobicContact CE1-CG 4.49Å; F103-L177 HydrophobicContact CE2-CB 4.25Å; F103-L177 HydrophobicContact CE2-CD1 4.18Å; F103-L177 HydrophobicContact CG-CD1 4.41Å; F103-L177 HydrophobicContact CZ-CB 3.79Å; F103-L177 HydrophobicContact CZ-CD1 4.33Å; F103-L177 HydrophobicContact CZ-CD2 4.46Å; F103-L177 HydrophobicContact CZ-CG 4.42Å; K125-L177 WeakPolarHBondContact O-CA 3.47Å; V126-L177 HydrophobicContact CB-CD2 4.37Å; V126-L177 HydrophobicContact CG2-CD2 3.63Å; I175-L177 HydrophobicContact CD1-CD2 4.08Å; I175-L177 HydrophobicContact CD1-CG 4.47Å
178	E	97	Very high	90.1	Very high	22 Å²	22	32.9 Å²	32.9	10%	0.103	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.9	176.9	-177.7	-174.4	99.9	0	0	108.3	V59 I60 K125 K127	V59-E178 HydrophobicContact CG1-CG 3.63Å; I60-E178 CarbonylContact O-C 3.54Å; I60-E178 VanDerWaalsContact O-CA 3.31Å; I60-E178 WeakPolarHBondContact O-CA 3.34Å; K125-E178 HydrophobicContact CB-CB 4.34Å; K125-E178 PolarHBondContact N-O 3.46Å; K125-E178 IonicContact NZ-OE1 3.98Å; K125-E178 PolarHBondContact NZ-OE1 2.87Å; K125-E178 PolarHBondContact O-N 3Å; K127-E178 HydrophobicContact CD-CB 4.13Å; K127-E178 WeakPolarHBondContact CE-OE2 3.42Å; K127-E178 HydrophobicContact CG-CB 4.1Å; K127-E178 IonicContact NZ-OE2 3.64Å; K127-E178 PolarHBondContact NZ-OE2 2.83Å
179	V	96.6	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.1	171	179.6	0	0	0	0	108.7	V59 I60 I88 F103 L105 A122 V123 L124	V59-V179 CarbonylContact C-O 3.6Å; V59-V179 WeakPolarHBondContact CA-O 3.43Å; I60-V179 HydrophobicContact CB-CB 4.38Å; I60-V179 PolarHBondContact N-O 2.85Å; I60-V179 PolarHBondContact O-N 2.91Å; I88-V179 HydrophobicContact CD1-CB 4.19Å; I88-V179 HydrophobicContact CD1-CG2 3.72Å; I88-V179 HydrophobicContact CG1-CB 4.13Å; I88-V179 HydrophobicContact CG1-CG2 3.57Å; F103-V179 HydrophobicContact CE2-CG2 3.49Å; F103-V179 VanDerWaalsContact CE2-CG2 3.49Å; F103-V179 HydrophobicContact CZ-CG2 3.44Å; F103-V179 VanDerWaalsContact CZ-CG2 3.44Å; L105-V179 HydrophobicContact CD1-CG1 4.04Å; L105-V179 HydrophobicContact CD2-CG1 4.17Å; A122-V179 HydrophobicContact CB-CG1 3.88Å; V123-V179 WeakPolarHBondContact O-CA 3.37Å; L124-V179 HydrophobicContact CB-CG2 4.47Å; L124-V179 HydrophobicContact CD1-CG1 4.23Å; L124-V179 HydrophobicContact CD1-CG2 4.46Å; L124-V179 HydrophobicContact CG-CG2 3.9Å
180	H	95.9	Very high	88.7	Confident	61 Å²	61	43 Å²	43	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.7	167.3	-173.6	-154	0	0	0	108.2	E57 G58 A122 V123	E57-H180 IonicContact OE2-CE1 3.02Å; E57-H180 IonicContact OE2-NE2 3.97Å; G58-H180 PolarHBondContact O-CD2 2.75Å; A122-H180 CarbonylContact C-O 3.51Å; A122-H180 WeakPolarHBondContact CA-O 3.5Å; V123-H180 HydrophobicContact CB-CB 4.46Å; V123-H180 PolarHBondContact N-O 3.28Å; V123-H180 PolarHBondContact O-N 2.73Å
181	V	93.7	Very high	88	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.4	179.1	59.7	0	0	0	0	110	E57 G58 I60 V81 W86 L105 A120 A122	E57-V181 CarbonylContact C-O 3.53Å; E57-V181 WeakPolarHBondContact CA-O 3.38Å; E57-V181 WeakPolarHBondContact CB-O 3.48Å; G58-V181 PolarHBondContact N-O 3.17Å; G58-V181 VanDerWaalsContact O-CG1 3.31Å; G58-V181 WeakPolarHBondContact O-CG1 3.4Å; G58-V181 PolarHBondContact O-N 3.49Å; I60-V181 HydrophobicContact CD1-CG1 4.39Å; V81-V181 HydrophobicContact CB-CG1 4.4Å; V81-V181 HydrophobicContact CG2-CG1 3.79Å; W86-V181 HydrophobicContact CD2-CG2 4.05Å; W86-V181 HydrophobicContact CE3-CG2 3.91Å; W86-V181 HydrophobicContact CH2-CG2 4.2Å; W86-V181 HydrophobicContact CZ2-CG2 4.32Å; W86-V181 HydrophobicContact CZ3-CG2 3.97Å; L105-V181 HydrophobicContact CD2-CB 4.26Å; L105-V181 HydrophobicContact CD2-CG2 4.01Å; A120-V181 HydrophobicContact CB-CG2 4.12Å; A122-V181 HydrophobicContact CB-CB 4.33Å; A122-V181 HydrophobicContact CB-CG2 4.49Å
182	N	92.2	Very high	87.7	Confident	62 Å²	62	41.1 Å²	41.1	33%	0.332	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.7	168.7	179.6	-5.3	0	0	0	107.9	A56 E57 A120 S121	A56-N182 PolarHBondContact O-OD1 3.19Å; E57-N182 HydrophobicContact CB-CB 4.42Å; A120-N182 CarbonylContact C-O 3.09Å; A120-N182 VanDerWaalsContact CA-O 3.29Å; A120-N182 WeakPolarHBondContact CA-O 3.41Å; A120-N182 WeakPolarHBondContact CB-O 3.34Å; S121-N182 PolarHBondContact N-O 2.69Å; S121-N182 PolarHBondContact O-N 3.39Å; S121-N182 VanDerWaalsContact O-O 3.12Å
183	A	89.7	Confident	87.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.6	-170.2	0	0	0	0	0	112.8	A56 V81 R82 W86 A120	A56-A183 PolarHBondContact O-N 3.24Å; V81-A183 HydrophobicContact CG1-CB 3.94Å; R82-A183 HydrophobicContact CG-CB 3.88Å; R82-A183 PolarHBondContact NE-O 3.3Å; R82-A183 PolarHBondContact NH2-O 3.42Å; W86-A183 HydrophobicContact CH2-CB 4.4Å; W86-A183 HydrophobicContact CZ2-CB 3.69Å; A120-A183 HydrophobicContact CB-CB 3.93Å
184	D	86	Confident	87.2	Confident	57 Å²	57	35.8 Å²	35.8	31%	0.305	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-73.2	158.7	168.9	-65.2	-36.6	0	0	0	110.6	C118 S119	C118-D184 PolarHBondContact SG-O 3.08Å; S119-D184 WeakPolarHBondContact CB-OD2 3.39Å; S119-D184 WeakPolarHBondContact O-CB 3.2Å; S119-D184 PolarHBondContact O-N 2.96Å; S119-D184 PolarHBondContact OG-OD2 3.18Å
185	A	84.3	Confident	86.8	Confident	8 Å²	8	42 Å²	42	7%	0.066	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.4	128.1	176.4	0	0	0	0	0	110.6	W191 V488 C490	A185-W191 HydrophobicContact CB-CD2 4.14Å; A185-W191 HydrophobicContact CB-CE3 4.36Å; A185-W191 HydrophobicContact CB-CH2 4.02Å; A185-W191 HydrophobicContact CB-CZ2 3.74Å; A185-W191 HydrophobicContact CB-CZ3 4.31Å; A185-V488 HydrophobicContact CB-CG1 3.34Å; A185-C490 HydrophobicContact CB-CB 3.77Å
186	P	85.9	Confident	86.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-80	149.4	-173.4	31.5	-38.1	0	0	0	112.2	R82 L84 S117 C118 V189 W191	R82-P186 HydrophobicContact CB-CG 4.2Å; L84-P186 HydrophobicContact CD1-CB 3.72Å; L84-P186 HydrophobicContact CD1-CG 4.13Å; L84-P186 HydrophobicContact CG-CB 4.35Å; L84-P186 HydrophobicContact CG-CG 4.25Å; S117-P186 CarbonylContact O-C 3.52Å; S117-P186 VanDerWaalsContact O-CA 3.3Å; S117-P186 WeakPolarHBondContact O-CA 3.45Å; C118-P186 HydrophobicContact CB-CB 4Å; P186-V189 HydrophobicContact CB-CG2 3.66Å; P186-V189 HydrophobicContact CG-CG2 3.32Å; P186-W191 HydrophobicContact CG-CE3 4.44Å
187	H	82.3	Confident	85.6	Confident	45 Å²	45	43.3 Å²	43.3	21%	0.208	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-96.4	154	170.1	-62.8	84.7	0	0	0	110.2	W116 S117 V189 D485 D487 V488	W116-H187 VanDerWaalsContact CA-O 3.23Å; W116-H187 WeakPolarHBondContact CA-O 3.49Å; S117-H187 PolarHBondContact N-O 3Å; S117-H187 PolarHBondContact O-N 3.34Å; H187-V189 PolarHBondContact O-N 3.14Å; H187-D485 IonicContact CE1-OD1 2.76Å; H187-D485 IonicContact CE1-OD2 3.48Å; H187-D485 IonicContact NE2-OD1 2.86Å; H187-D485 PolarHBondContact NE2-OD1 3.14Å; H187-D485 IonicContact NE2-OD2 3.52Å; H187-D487 IonicContact CD2-OD1 3.43Å; H187-V488 VanDerWaalsContact CD2-CG2 3.49Å; H187-V488 WeakPolarHBondContact CD2-CG2 3.31Å
188	G	76.7	Confident	85.1	Confident	39 Å²	39	45.7 Å²	45.7	40%	0.402	24%	0.244	S	C	.	.	S	Bend	trans	75.1	6.3	174.3	0	0	0	0	0	115.7
189	V	76.3	Confident	84.8	Confident	46 Å²	46	47 Å²	47	28%	0.279	25%	0.251	S	S	.	.	S	Bend	trans	-118.1	167.8	169.8	-63.1	0	0	0	0	110.6	L84 W116 P186 H187 W191	L84-V189 HydrophobicContact CD2-CB 4.44Å; L84-V189 HydrophobicContact CD2-CG1 3.82Å; L84-V189 HydrophobicContact CD2-CG2 4.22Å; W116-V189 HydrophobicContact CB-CG1 3.79Å; P186-V189 HydrophobicContact CB-CG2 3.66Å; P186-V189 HydrophobicContact CG-CG2 3.32Å; H187-V189 PolarHBondContact O-N 3.14Å; V189-W191 VanDerWaalsContact C-N 3.29Å; V189-W191 PolarHBondContact O-N 3.26Å
190	Q	72.4	Confident	84.6	Confident	185 Å²	185	47.4 Å²	47.4	86%	0.864	25%	0.253	S	S	*	.			trans	-69.4	86	178.6	-68.4	-175.2	10.8	0	0	110.6
191	W	77.1	Confident	84.3	Confident	29 Å²	29	44.5 Å²	44.5	11%	0.11	24%	0.239	C	C	.	.			trans	-99.8	111.4	171.8	-179.2	-95.4	0	0	0	110.1	Y54 R82 A185 P186 V189 S193 H196 V488 V489 C490	Y54-W191 HydrophobicContact CD1-CE3 4.22Å; Y54-W191 HydrophobicContact CD1-CZ3 4.03Å; R82-W191 HydrophobicContact CB-CZ3 4.29Å; A185-W191 HydrophobicContact CB-CD2 4.14Å; A185-W191 HydrophobicContact CB-CE3 4.36Å; A185-W191 HydrophobicContact CB-CH2 4.02Å; A185-W191 HydrophobicContact CB-CZ2 3.74Å; A185-W191 HydrophobicContact CB-CZ3 4.31Å; P186-W191 HydrophobicContact CG-CE3 4.44Å; V189-W191 VanDerWaalsContact C-N 3.29Å; V189-W191 PolarHBondContact O-N 3.26Å; W191-S193 VanDerWaalsContact CD1-OG 3.22Å; W191-S193 PolarHBondContact O-N 3.36Å; W191-S193 VanDerWaalsContact O-N 3.13Å; W191-H196 HydrophobicContact CZ2-CB 4.32Å; W191-V488 HydrophobicContact CG-CG1 4.27Å; W191-V489 PolarHBondContact NE1-O 3.3Å; W191-C490 HydrophobicContact CZ2-CB 4.1Å
192	D	81.9	Confident	84.2	Confident	77 Å²	77	44.5 Å²	44.5	41%	0.412	24%	0.239	S	C	.	.			trans	-83.9	84.7	174.5	-170.8	-20.9	0	0	0	110.5	K194 K195 H196	D192-K194 PolarHBondContact O-N 2.74Å; D192-K194 PolarHBondContact OD1-N 3.23Å; D192-K194 VanDerWaalsContact OD1-N 3.1Å; D192-K195 HydrophobicContact CB-CB 3.95Å; D192-K195 VanDerWaalsContact CG-CB 3.45Å; D192-K195 PolarHBondContact O-N 2.8Å; D192-K195 PolarHBondContact OD1-N 2.88Å; D192-H196 PolarHBondContact O-N 3.49Å; D192-H196 PolarHBondContact O-ND1 3.05Å
193	S	83.9	Confident	84.1	Confident	8 Å²	8	46.9 Å²	46.9	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-50.3	-39.8	176.5	-66.8	0	0	0	0	112.6	W191 H196 T197 H199 D487 V489	W191-S193 VanDerWaalsContact CD1-OG 3.22Å; W191-S193 PolarHBondContact O-N 3.36Å; W191-S193 VanDerWaalsContact O-N 3.13Å; S193-H196 PolarHBondContact O-N 3.36Å; S193-T197 WeakPolarHBondContact O-CB 3.28Å; S193-T197 PolarHBondContact O-N 3.37Å; S193-T197 PolarHBondContact O-OG1 3.25Å; S193-H199 CarbonylContact C-O 3.55Å; S193-H199 WeakPolarHBondContact CB-O 3.28Å; S193-H199 VanDerWaalsContact O-O 3.14Å; S193-D487 PolarHBondContact OG-O 2.82Å; S193-D487 VanDerWaalsContact OG-O 3.05Å; S193-V489 PolarHBondContact OG-N 3.38Å
194	K	84.8	Confident	83.8	Confident	61 Å²	61	49.8 Å²	49.8	27%	0.265	26%	0.262	S	S	.	.	H	α-helix	trans	-70.3	-42.5	-174.7	-164.3	170.1	-176.4	171.3	0	111.3	D192 H196 G198 H199 I200 F255 S256 D257	D192-K194 PolarHBondContact O-N 2.74Å; D192-K194 PolarHBondContact OD1-N 3.23Å; D192-K194 VanDerWaalsContact OD1-N 3.1Å; K194-H196 VanDerWaalsContact C-N 3.33Å; K194-H196 PolarHBondContact O-N 2.92Å; K194-G198 WeakPolarHBondContact O-CA 3.15Å; K194-G198 PolarHBondContact O-N 2.84Å; K194-H199 WeakPolarHBondContact CA-O 3.25Å; K194-H199 PolarHBondContact N-O 3.01Å; K194-I200 HydrophobicContact CB-CG2 3.79Å; K194-I200 HydrophobicContact CD-CG2 4Å; K194-I200 HydrophobicContact CG-CG2 4.12Å; K194-F255 PolarHBondContact NZ-O 2.85Å; K194-F255 VanDerWaalsContact NZ-O 3.17Å; K194-S256 PolarHBondContact NZ-O 2.9Å; K194-D257 HydrophobicContact CD-CB 4.36Å; K194-D257 VanDerWaalsContact CD-OD1 3.25Å; K194-D257 WeakPolarHBondContact CD-OD1 3.31Å; K194-D257 WeakPolarHBondContact CE-OD1 3.49Å; K194-D257 IonicContact NZ-OD1 3.73Å; K194-D257 PolarHBondContact NZ-OD1 2.84Å
195	K	82.5	Confident	83.3	Confident	156 Å²	156	48.7 Å²	48.7	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-59.6	-43.1	177	-174.8	-177.1	177.8	-168	0	112.1	D192	D192-K195 HydrophobicContact CB-CB 3.95Å; D192-K195 VanDerWaalsContact CG-CB 3.45Å; D192-K195 PolarHBondContact O-N 2.8Å; D192-K195 PolarHBondContact OD1-N 2.88Å
196	H	78.2	Confident	82.7	Confident	43 Å²	43	50.4 Å²	50.4	20%	0.199	27%	0.273	C	S	.	.	H	α-helix	trans	-83	-35.7	-174	-61.4	93.7	0	0	0	113.4	Y54 W191 D192 S193 K194 R491	Y54-H196 WeakPolarHBondContact CB-NE2 3.1Å; Y54-H196 AromaticContact CD1-CE1 3.98Å; Y54-H196 AromaticContact CD1-NE2 3.96Å; Y54-H196 AromaticContact CG-NE2 3.69Å; W191-H196 HydrophobicContact CZ2-CB 4.32Å; D192-H196 PolarHBondContact O-N 3.49Å; D192-H196 PolarHBondContact O-ND1 3.05Å; S193-H196 PolarHBondContact O-N 3.36Å; K194-H196 VanDerWaalsContact C-N 3.33Å; K194-H196 PolarHBondContact O-N 2.92Å; H196-R491 PolarHBondContact O-NE 3.32Å; H196-R491 PolarHBondContact O-NH2 2.85Å
197	T	84.6	Confident	81.8	Confident	11 Å²	11	50.7 Å²	50.7	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-114.3	-20.2	-171.2	70.5	0	0	0	0	114.1	S193 H199 V489 R491	S193-T197 WeakPolarHBondContact O-CB 3.28Å; S193-T197 PolarHBondContact O-N 3.37Å; S193-T197 PolarHBondContact O-OG1 3.25Å; T197-H199 PolarHBondContact O-CD2 2.88Å; T197-H199 PolarHBondContact OG1-N 2.88Å; T197-H199 PolarHBondContact OG1-O 2.83Å; T197-H199 VanDerWaalsContact OG1-O 3.13Å; T197-V489 HydrophobicContact CG2-CB 4.35Å; T197-V489 HydrophobicContact CG2-CG1 4.05Å; T197-V489 VanDerWaalsContact CG2-O 3.29Å; T197-V489 WeakPolarHBondContact CG2-O 3.36Å; T197-R491 HydrophobicContact CG2-CG 4.22Å
198	G	86.1	Confident	81.6	Confident	49 Å²	49	48.5 Å²	48.5	51%	0.505	27%	0.266	S	S	.	.	S	Bend	trans	80.4	3.3	-166.6	0	0	0	0	0	113.6	K194	K194-G198 WeakPolarHBondContact O-CA 3.15Å; K194-G198 PolarHBondContact O-N 2.84Å
199	H	90.2	Very high	81.6	Confident	51 Å²	51	47 Å²	47	24%	0.236	25%	0.248	C	C	.	.			trans	-131.3	155.7	-173.7	-57	-54.2	0	0	0	111.4	S193 K194 T197 F220 F484 V489	S193-H199 CarbonylContact C-O 3.55Å; S193-H199 WeakPolarHBondContact CB-O 3.28Å; S193-H199 VanDerWaalsContact O-O 3.14Å; K194-H199 WeakPolarHBondContact CA-O 3.25Å; K194-H199 PolarHBondContact N-O 3.01Å; T197-H199 PolarHBondContact O-CD2 2.88Å; T197-H199 PolarHBondContact OG1-N 2.88Å; T197-H199 PolarHBondContact OG1-O 2.83Å; T197-H199 VanDerWaalsContact OG1-O 3.13Å; H199-F220 HydrophobicContact CB-CZ 4.36Å; H199-F220 AromaticContact CE1-CE1 3.72Å; H199-F220 AromaticContact CG-CZ 3.87Å; H199-F220 AromaticContact ND1-CE1 3.77Å; H199-F220 AromaticContact ND1-CZ 3.74Å; H199-F484 HydrophobicContact CB-CE1 3.91Å; H199-F484 HydrophobicContact CB-CZ 4.11Å; H199-V489 HydrophobicContact CB-CG1 4.33Å
200	I	91.5	Very high	81.6	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.041	24%	0.237	C	C	.	.			trans	-117.1	155.5	178.5	65.4	178.1	0	0	0	111.3	K194 Q216 E252 L253 S256 V260	K194-I200 HydrophobicContact CB-CG2 3.79Å; K194-I200 HydrophobicContact CD-CG2 4Å; K194-I200 HydrophobicContact CG-CG2 4.12Å; I200-Q216 PolarHBondContact O-NE2 3.45Å; I200-Q216 VanDerWaalsContact O-NE2 3.1Å; I200-E252 VanDerWaalsContact CD1-O 3.27Å; I200-E252 WeakPolarHBondContact CD1-O 3.37Å; I200-L253 HydrophobicContact CG1-CD2 4.06Å; I200-S256 WeakPolarHBondContact CD1-O 3.49Å; I200-V260 HydrophobicContact CD1-CG2 3.65Å; I200-V260 HydrophobicContact CG1-CG2 4.37Å
201	G	90.6	Very high	82.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.			trans	-87.3	178.6	178.5	0	0	0	0	0	114.4	P259 V260 D486	G201-P259 WeakPolarHBondContact O-CA 3.09Å; G201-V260 PolarHBondContact O-N 3.17Å; G201-D486 CarbonylContact C-O 3.42Å; G201-D486 WeakPolarHBondContact CA-O 3.23Å
202	L	92.1	Very high	82.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-109.9	137.6	171.7	-66.2	175	0	0	0	109	N204 N212 L215 Q216 V249 L253 V260 T262 D486 D487	L202-N204 PolarHBondContact O-N 2.83Å; L202-N212 HydrophobicContact CB-CB 4Å; L202-N212 VanDerWaalsContact CD1-CA 3.49Å; L202-N212 HydrophobicContact CD1-CB 3.74Å; L202-N212 WeakPolarHBondContact CD1-O 3.42Å; L202-N212 HydrophobicContact CG-CB 4.49Å; L202-L215 HydrophobicContact CD1-CB 3.72Å; L202-L215 HydrophobicContact CD1-CD1 4.11Å; L202-Q216 HydrophobicContact CD1-CG 3.98Å; L202-Q216 HydrophobicContact CG-CG 4.37Å; L202-V249 HydrophobicContact CD2-CG1 4.22Å; L202-L253 HydrophobicContact CD2-CD1 4.12Å; L202-L253 HydrophobicContact CD2-CD2 3.67Å; L202-L253 HydrophobicContact CD2-CG 4.01Å; L202-L253 HydrophobicContact CG-CD2 4.22Å; L202-V260 HydrophobicContact CD2-CB 3.72Å; L202-V260 HydrophobicContact CD2-CG1 4.09Å; L202-T262 HydrophobicContact CD1-CG2 4.46Å; L202-T262 HydrophobicContact CD2-CG2 4.09Å; L202-D486 PolarHBondContact N-O 2.75Å; L202-D486 CarbonylContact O-C 3.57Å; L202-D486 VanDerWaalsContact O-CA 3.31Å; L202-D486 WeakPolarHBondContact O-CA 3.44Å; L202-D486 WeakPolarHBondContact O-CB 2.96Å; L202-D487 PolarHBondContact O-N 3.37Å
203	K	89.2	Confident	83.1	Confident	112 Å²	112	31.7 Å²	31.7	49%	0.487	17%	0.173	S	C	.	.			trans	-67.1	129.2	174.8	-66.8	-175.2	174.5	-175.6	0	109.9	N212 P259 V260	K203-N212 PolarHBondContact O-ND2 3.48Å; K203-P259 VanDerWaalsContact CE-O 3.23Å; K203-P259 WeakPolarHBondContact CE-O 3.43Å; K203-P259 HydrophobicContact CG-CB 3.71Å; K203-V260 PolarHBondContact N-O 2.94Å
204	N	83.3	Confident	83.3	Confident	60 Å²	60	32 Å²	32	32%	0.321	17%	0.174	S	C	.	.			trans	-71.5	131.4	168.6	-162.7	-22.1	0	0	0	110.1	L202 G206 D486	L202-N204 PolarHBondContact O-N 2.83Å; N204-G206 PolarHBondContact OD1-N 3.06Å; N204-G206 PolarHBondContact OD1-O 3.03Å; N204-G206 VanDerWaalsContact OD1-O 3.13Å; N204-D486 HydrophobicContact CB-CB 4.01Å; N204-D486 WeakPolarHBondContact CB-OD2 3.44Å; N204-D486 PolarHBondContact ND2-OD2 2.89Å
205	Q	75	Confident	83.7	Confident	35 Å²	35	29 Å²	29	16%	0.164	16%	0.161	C	C	.	.			trans	-100.9	13	176	-61.2	-176.8	64.2	0	0	113.2	T208 T262 K263	Q205-T208 HydrophobicContact CB-CG2 3.88Å; Q205-T208 PolarHBondContact N-OG1 2.95Å; Q205-T208 VanDerWaalsContact N-OG1 3.12Å; Q205-T262 PolarHBondContact NE2-O 2.76Å; Q205-T262 PolarHBondContact NE2-OG1 3.07Å; Q205-K263 HydrophobicContact CG-CG 4.43Å
206	G	73.4	Confident	84.2	Confident	43 Å²	43	21.8 Å²	21.8	44%	0.443	13%	0.13	S	C	.	.	S	Bend	trans	120.9	-87.2	-176.8	0	0	0	0	0	110.2	N204	N204-G206 PolarHBondContact OD1-N 3.06Å; N204-G206 PolarHBondContact OD1-O 3.03Å; N204-G206 VanDerWaalsContact OD1-O 3.13Å
207	A	67	Low	84.8	Confident	6 Å²	6	19.8 Å²	19.8	5%	0.05	12%	0.12	C	C	.	.	S	Bend	trans	-105.8	26	-178.7	0	0	0	0	0	113.2	Y210 S276 L278 Q279	A207-Y210 WeakPolarHBondContact O-CE1 3.31Å; A207-S276 VanDerWaalsContact CB-O 3.32Å; A207-S276 WeakPolarHBondContact CB-O 3.47Å; A207-S276 PolarHBondContact N-O 2.92Å; A207-L278 WeakPolarHBondContact CB-O 2.98Å; A207-Q279 HydrophobicContact CB-CG 3.97Å
208	T	76.8	Confident	85.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.			trans	-100.9	10	-174.4	65.4	0	0	0	0	114.3	Q205 Y210 M211 N212 T266	Q205-T208 HydrophobicContact CB-CG2 3.88Å; Q205-T208 PolarHBondContact N-OG1 2.95Å; Q205-T208 VanDerWaalsContact N-OG1 3.12Å; T208-Y210 VanDerWaalsContact C-N 3.34Å; T208-Y210 PolarHBondContact O-N 2.85Å; T208-M211 HydrophobicContact CG2-CE 4.35Å; T208-M211 WeakPolarHBondContact O-CB 3.23Å; T208-M211 PolarHBondContact O-N 2.8Å; T208-M211 VanDerWaalsContact O-N 3.08Å; T208-N212 PolarHBondContact O-N 2.87Å; T208-T266 HydrophobicContact CG2-CG2 4.41Å
209	C	75.9	Confident	85.4	Confident	6 Å²	6	17.3 Å²	17.3	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-33.1	-174	43.9	0	0	0	0	113.2	M211 N212 S213 Y469	C209-M211 VanDerWaalsContact C-N 3.32Å; C209-M211 PolarHBondContact O-N 2.79Å; C209-N212 PolarHBondContact O-N 2.86Å; C209-S213 WeakPolarHBondContact O-CB 3.24Å; C209-S213 PolarHBondContact O-N 2.99Å; C209-S213 PolarHBondContact O-OG 3.21Å; C209-Y469 WeakPolarHBondContact SG-CD2 3.4Å
210	Y	76.3	Confident	85.5	Confident	10 Å²	10	15.2 Å²	15.2	4%	0.039	9%	0.085	C	C	.	.	H	α-helix	trans	-64.1	-39.2	171.5	63.7	-100.5	0	0	0	111.3	A207 T208 S213 L214 W271 H280 V282 L285 Y469	A207-Y210 WeakPolarHBondContact O-CE1 3.31Å; T208-Y210 VanDerWaalsContact C-N 3.34Å; T208-Y210 PolarHBondContact O-N 2.85Å; Y210-S213 WeakPolarHBondContact O-CB 3.07Å; Y210-S213 PolarHBondContact O-N 2.78Å; Y210-L214 PolarHBondContact O-N 3.46Å; Y210-W271 HydrophobicContact CE2-CH2 4.02Å; Y210-W271 WeakPolarHBondContact OH-CH2 3.47Å; Y210-W271 VanDerWaalsContact OH-CZ3 3.27Å; Y210-W271 WeakPolarHBondContact OH-CZ3 3.48Å; Y210-H280 WeakPolarHBondContact CD1-O 3.41Å; Y210-H280 HydrophobicContact CE1-CB 4.3Å; Y210-H280 VanDerWaalsContact CE1-O 3.27Å; Y210-H280 WeakPolarHBondContact CE1-O 3.41Å; Y210-V282 HydrophobicContact CG-CG2 4.47Å; Y210-L285 HydrophobicContact CD2-CD2 4Å; Y210-L285 HydrophobicContact CE2-CD1 4.45Å; Y210-L285 HydrophobicContact CE2-CD2 3.27Å; Y210-L285 HydrophobicContact CE2-CG 4.34Å; Y210-Y469 HydrophobicContact CD1-CE2 4.43Å
211	M	83.9	Confident	85.3	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-42.5	179.4	-176.2	-169	70.6	0	0	109.3	T208 C209 S213 L214 L215 T262 T266 W271 W304	T208-M211 HydrophobicContact CG2-CE 4.35Å; T208-M211 WeakPolarHBondContact O-CB 3.23Å; T208-M211 PolarHBondContact O-N 2.8Å; T208-M211 VanDerWaalsContact O-N 3.08Å; C209-M211 VanDerWaalsContact C-N 3.32Å; C209-M211 PolarHBondContact O-N 2.79Å; M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 2.88Å; M211-L214 PolarHBondContact O-N 2.78Å; M211-L215 HydrophobicContact CE-CD1 4.08Å; M211-L215 HydrophobicContact CG-CD1 3.97Å; M211-L215 HydrophobicContact CG-CG 4.37Å; M211-L215 WeakPolarHBondContact O-CB 3.18Å; M211-L215 VanDerWaalsContact O-CG 3.24Å; M211-L215 WeakPolarHBondContact O-CG 3.43Å; M211-L215 PolarHBondContact O-N 3.31Å; M211-L215 HydrophobicContact SD-CD1 4.44Å; M211-T262 VanDerWaalsContact CE-CB 3.48Å; M211-T262 HydrophobicContact CE-CG2 4Å; M211-T262 WeakPolarHBondContact CE-OG1 3.44Å; M211-T266 HydrophobicContact CE-CG2 3.73Å; M211-T266 HydrophobicContact SD-CG2 3.77Å; M211-W271 HydrophobicContact SD-CH2 4.25Å; M211-W271 HydrophobicContact SD-CZ3 4.12Å; M211-W304 HydrophobicContact CB-CH2 4.46Å; M211-W304 HydrophobicContact CG-CH2 3.43Å; M211-W304 VanDerWaalsContact CG-CH2 3.43Å; M211-W304 HydrophobicContact CG-CZ2 3.96Å; M211-W304 HydrophobicContact CG-CZ3 3.95Å; M211-W304 HydrophobicContact SD-CH2 4.31Å; M211-W304 HydrophobicContact SD-CZ2 4.35Å
212	N	90.5	Very high	85.2	Confident	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-44.6	175.4	-71.9	-10.8	0	0	0	111.3	L202 K203 T208 C209 L214 L215 Q216 D486	L202-N212 HydrophobicContact CB-CB 4Å; L202-N212 VanDerWaalsContact CD1-CA 3.49Å; L202-N212 HydrophobicContact CD1-CB 3.74Å; L202-N212 WeakPolarHBondContact CD1-O 3.42Å; L202-N212 HydrophobicContact CG-CB 4.49Å; K203-N212 PolarHBondContact O-ND2 3.48Å; T208-N212 PolarHBondContact O-N 2.87Å; C209-N212 PolarHBondContact O-N 2.86Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-L214 PolarHBondContact O-N 3.22Å; N212-L215 PolarHBondContact O-N 3.2Å; N212-Q216 WeakPolarHBondContact O-CG 3.37Å; N212-Q216 PolarHBondContact O-N 2.71Å; N212-D486 PolarHBondContact ND2-OD1 3.08Å
213	S	90.1	Very high	84.9	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-58.3	-44.3	175.9	-64.6	0	0	0	0	112.1	C209 Y210 M211 T217	C209-S213 WeakPolarHBondContact O-CB 3.24Å; C209-S213 PolarHBondContact O-N 2.99Å; C209-S213 PolarHBondContact O-OG 3.21Å; Y210-S213 WeakPolarHBondContact O-CB 3.07Å; Y210-S213 PolarHBondContact O-N 2.78Å; M211-S213 VanDerWaalsContact C-N 3.33Å; M211-S213 PolarHBondContact O-N 2.88Å; S213-T217 PolarHBondContact O-N 3.14Å; S213-T217 PolarHBondContact O-OG1 2.81Å
214	L	88.3	Confident	84.8	Confident	13 Å²	13	14.9 Å²	14.9	7%	0.068	9%	0.085	C	C	.	.	H	α-helix	trans	-69.7	-42.7	177	-168.9	62.5	0	0	0	112.4	Y210 M211 N212 Q216 T217 L218 W304 L305 L458 M519	Y210-L214 PolarHBondContact O-N 3.46Å; M211-L214 PolarHBondContact O-N 2.78Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-L214 PolarHBondContact O-N 3.22Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-Q216 PolarHBondContact O-N 3.13Å; L214-T217 WeakPolarHBondContact O-CB 3.47Å; L214-T217 PolarHBondContact O-N 3.4Å; L214-T217 VanDerWaalsContact O-N 3.09Å; L214-L218 HydrophobicContact CD1-CG 4.5Å; L214-L218 HydrophobicContact CD2-CD1 4.49Å; L214-L218 HydrophobicContact CG-CD1 4.06Å; L214-L218 HydrophobicContact CG-CG 4.28Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.45Å; L214-W304 HydrophobicContact CB-CZ3 4.12Å; L214-W304 HydrophobicContact CD2-CE3 3.32Å; L214-W304 HydrophobicContact CD2-CZ3 3.38Å; L214-W304 HydrophobicContact CG-CE3 4.5Å; L214-W304 HydrophobicContact CG-CZ3 4.16Å; L214-L305 HydrophobicContact CD1-CD1 4.29Å; L214-L305 HydrophobicContact CD2-CB 4.1Å; L214-L305 HydrophobicContact CD2-CD1 4.08Å; L214-L458 HydrophobicContact CD1-CD2 4.47Å; L214-M519 HydrophobicContact CD1-CE 4.11Å; L214-M519 HydrophobicContact CD1-SD 4.31Å
215	L	91.5	Very high	85.1	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.8	-41.4	178.7	-75.1	169.4	0	0	0	112.2	L202 M211 N212 L218 F219 T262 L265	L202-L215 HydrophobicContact CD1-CB 3.72Å; L202-L215 HydrophobicContact CD1-CD1 4.11Å; M211-L215 HydrophobicContact CE-CD1 4.08Å; M211-L215 HydrophobicContact CG-CD1 3.97Å; M211-L215 HydrophobicContact CG-CG 4.37Å; M211-L215 WeakPolarHBondContact O-CB 3.18Å; M211-L215 VanDerWaalsContact O-CG 3.24Å; M211-L215 WeakPolarHBondContact O-CG 3.43Å; M211-L215 PolarHBondContact O-N 3.31Å; M211-L215 HydrophobicContact SD-CD1 4.44Å; N212-L215 PolarHBondContact O-N 3.2Å; L215-L218 PolarHBondContact O-N 3.21Å; L215-F219 VanDerWaalsContact O-CB 3.27Å; L215-F219 WeakPolarHBondContact O-CB 3.3Å; L215-F219 PolarHBondContact O-N 3.4Å; L215-T262 HydrophobicContact CD1-CG2 3.7Å; L215-L265 HydrophobicContact CD1-CD2 3.72Å; L215-L265 HydrophobicContact CD2-CD2 3.71Å; L215-L265 HydrophobicContact CG-CD2 4.31Å
216	Q	93	Very high	85.6	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-45.3	173.8	-69.3	-73.2	11.1	0	0	110.6	I200 L202 N212 L214 L218 F219 F220 V471 I473 F484	I200-Q216 PolarHBondContact O-NE2 3.45Å; I200-Q216 VanDerWaalsContact O-NE2 3.1Å; L202-Q216 HydrophobicContact CD1-CG 3.98Å; L202-Q216 HydrophobicContact CG-CG 4.37Å; N212-Q216 WeakPolarHBondContact O-CG 3.37Å; N212-Q216 PolarHBondContact O-N 2.71Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-Q216 PolarHBondContact O-N 3.13Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 2.83Å; Q216-F219 PolarHBondContact O-N 2.78Å; Q216-F220 WeakPolarHBondContact O-CD2 3.42Å; Q216-F220 PolarHBondContact O-N 3.04Å; Q216-V471 HydrophobicContact CB-CG1 3.98Å; Q216-I473 HydrophobicContact CB-CD1 3.77Å; Q216-F484 HydrophobicContact CG-CB 4.28Å; Q216-F484 HydrophobicContact CG-CD1 4.06Å; Q216-F484 HydrophobicContact CG-CG 4.33Å
217	T	91.7	Very high	86.2	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-44.5	177.1	-56.4	0	0	0	0	112.1	S213 L214 T221 A456	S213-T217 PolarHBondContact O-N 3.14Å; S213-T217 PolarHBondContact O-OG1 2.81Å; L214-T217 WeakPolarHBondContact O-CB 3.47Å; L214-T217 PolarHBondContact O-N 3.4Å; L214-T217 VanDerWaalsContact O-N 3.09Å; T217-T221 PolarHBondContact O-N 2.86Å; T217-T221 PolarHBondContact O-OG1 2.97Å; T217-A456 HydrophobicContact CG2-CB 3.82Å
218	L	91.3	Very high	87.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.4	-38.5	178.1	-64.8	174.2	0	0	0	112.1	L214 L215 Q216 F220 T221 L224 M246 F250 L305 L308 F329	L214-L218 HydrophobicContact CD1-CG 4.5Å; L214-L218 HydrophobicContact CD2-CD1 4.49Å; L214-L218 HydrophobicContact CG-CD1 4.06Å; L214-L218 HydrophobicContact CG-CG 4.28Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.45Å; L215-L218 PolarHBondContact O-N 3.21Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 2.83Å; L218-F220 PolarHBondContact O-N 3.22Å; L218-T221 WeakPolarHBondContact O-CB 2.99Å; L218-T221 PolarHBondContact O-N 2.8Å; L218-L224 HydrophobicContact CB-CD2 3.97Å; L218-L224 HydrophobicContact CD2-CD2 3.65Å; L218-L224 HydrophobicContact CG-CD2 4.34Å; L218-M246 HydrophobicContact CB-CE 4.46Å; L218-M246 HydrophobicContact CD1-CE 4.21Å; L218-F250 HydrophobicContact CB-CZ 3.97Å; L218-L305 HydrophobicContact CD1-CD1 4.3Å; L218-L305 HydrophobicContact CD2-CD1 3.83Å; L218-L308 HydrophobicContact CD1-CD2 3.45Å; L218-L308 VanDerWaalsContact CD1-CD2 3.45Å; L218-F329 HydrophobicContact CD2-CZ 4.48Å
219	F	92.3	Very high	87.5	Confident	8 Å²	8	17.4 Å²	17.4	4%	0.035	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-40.8	177.5	173	-103.7	0	0	0	112.4	L215 Q216 T221 R225 F250 L253 Q254	L215-F219 VanDerWaalsContact O-CB 3.27Å; L215-F219 WeakPolarHBondContact O-CB 3.3Å; L215-F219 PolarHBondContact O-N 3.4Å; Q216-F219 PolarHBondContact O-N 2.78Å; F219-T221 VanDerWaalsContact C-N 3.25Å; F219-T221 PolarHBondContact O-N 3.27Å; F219-R225 HydrophobicContact CD2-CG 4.45Å; F219-R225 PolarHBondContact O-NH1 3.41Å; F219-F250 HydrophobicContact CB-CD1 4.05Å; F219-F250 HydrophobicContact CB-CE1 3.77Å; F219-F250 HydrophobicContact CB-CZ 4.25Å; F219-F250 HydrophobicContact CD2-CB 4.08Å; F219-F250 AromaticContact CD2-CD1 3.89Å; F219-F250 HydrophobicContact CD2-CD1 3.89Å; F219-F250 HydrophobicContact CD2-CE1 4.41Å; F219-F250 AromaticContact CD2-CG 3.94Å; F219-F250 HydrophobicContact CD2-CG 3.94Å; F219-F250 HydrophobicContact CE2-CB 4.45Å; F219-F250 VanDerWaalsContact CE2-O 3.24Å; F219-F250 WeakPolarHBondContact CE2-O 3.27Å; F219-F250 HydrophobicContact CG-CD1 4.45Å; F219-L253 HydrophobicContact CB-CD1 3.89Å; F219-L253 HydrophobicContact CD1-CB 4.32Å; F219-L253 HydrophobicContact CD1-CD1 4.25Å; F219-L253 HydrophobicContact CD2-CB 3.9Å; F219-L253 HydrophobicContact CD2-CD1 3.97Å; F219-L253 HydrophobicContact CE1-CB 4.12Å; F219-L253 HydrophobicContact CE2-CB 3.68Å; F219-L253 HydrophobicContact CG-CB 4.21Å; F219-L253 HydrophobicContact CG-CD1 3.76Å; F219-L253 HydrophobicContact CZ-CB 3.79Å; F219-Q254 HydrophobicContact CE2-CB 4.11Å; F219-Q254 HydrophobicContact CZ-CB 4.02Å
220	F	91.7	Very high	87.9	Confident	8 Å²	8	22.3 Å²	22.3	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-77.6	-9.9	177	-73.5	-67.6	0	0	0	113.8	H199 Q216 L218 N222 I473 P475 F484	H199-F220 HydrophobicContact CB-CZ 4.36Å; H199-F220 AromaticContact CE1-CE1 3.72Å; H199-F220 AromaticContact CG-CZ 3.87Å; H199-F220 AromaticContact ND1-CE1 3.77Å; H199-F220 AromaticContact ND1-CZ 3.74Å; Q216-F220 WeakPolarHBondContact O-CD2 3.42Å; Q216-F220 PolarHBondContact O-N 3.04Å; L218-F220 PolarHBondContact O-N 3.22Å; F220-N222 PolarHBondContact O-N 2.96Å; F220-I473 HydrophobicContact CB-CG2 3.94Å; F220-I473 HydrophobicContact CD2-CB 4.5Å; F220-I473 HydrophobicContact CD2-CD1 3.56Å; F220-I473 HydrophobicContact CD2-CG2 3.97Å; F220-I473 HydrophobicContact CE2-CD1 4.16Å; F220-I473 HydrophobicContact CG-CD1 4.5Å; F220-I473 HydrophobicContact CG-CG2 4.01Å; F220-P475 HydrophobicContact CD1-CB 3.55Å; F220-P475 HydrophobicContact CD1-CG 3.97Å; F220-P475 HydrophobicContact CE1-CB 3.65Å; F220-P475 HydrophobicContact CE1-CG 3.78Å; F220-P475 HydrophobicContact CG-CB 4.36Å; F220-P475 HydrophobicContact CZ-CG 4.21Å; F220-F484 HydrophobicContact CD2-CZ 4.24Å; F220-F484 HydrophobicContact CE2-CD1 4.36Å; F220-F484 AromaticContact CE2-CE1 3.46Å; F220-F484 HydrophobicContact CE2-CE1 3.46Å; F220-F484 VanDerWaalsContact CE2-CE1 3.46Å; F220-F484 AromaticContact CE2-CE2 3.94Å; F220-F484 HydrophobicContact CE2-CE2 3.94Å; F220-F484 AromaticContact CE2-CZ 3.21Å; F220-F484 HydrophobicContact CE2-CZ 3.21Å; F220-F484 AromaticContact CZ-CE1 3.76Å; F220-F484 HydrophobicContact CZ-CE1 3.76Å; F220-F484 HydrophobicContact CZ-CE2 4.42Å; F220-F484 AromaticContact CZ-CZ 3.43Å; F220-F484 HydrophobicContact CZ-CZ 3.43Å; F220-F484 VanDerWaalsContact CZ-CZ 3.43Å
221	T	88.2	Confident	88.2	Confident	5 Å²	5	22.1 Å²	22.1	3%	0.031	10%	0.101	C	C	.	.			trans	-73.1	78.7	163.2	-55	0	0	0	0	109.2	T217 L218 F219 K223 L224 R225 F329 V406	T217-T221 PolarHBondContact O-N 2.86Å; T217-T221 PolarHBondContact O-OG1 2.97Å; L218-T221 WeakPolarHBondContact O-CB 2.99Å; L218-T221 PolarHBondContact O-N 2.8Å; F219-T221 VanDerWaalsContact C-N 3.25Å; F219-T221 PolarHBondContact O-N 3.27Å; T221-K223 PolarHBondContact O-N 2.82Å; T221-L224 HydrophobicContact CG2-CB 3.77Å; T221-L224 WeakPolarHBondContact O-CA 3.46Å; T221-L224 WeakPolarHBondContact O-CB 3.27Å; T221-L224 PolarHBondContact O-N 3.24Å; T221-R225 PolarHBondContact O-N 3.04Å; T221-F329 HydrophobicContact CG2-CZ 4.13Å; T221-V406 HydrophobicContact CG2-CG2 4.03Å
222	N	87	Confident	88.2	Confident	35 Å²	35	26.9 Å²	26.9	19%	0.187	13%	0.134	C	C	.	.	H	α-helix	trans	-53.5	-34.9	-168.4	-66.5	-50.5	0	0	0	114.4	F220 R225 K226	F220-N222 PolarHBondContact O-N 2.96Å; N222-R225 PolarHBondContact O-N 3.33Å; N222-R225 PolarHBondContact OD1-NH2 2.89Å; N222-K226 WeakPolarHBondContact O-CG 3.24Å; N222-K226 PolarHBondContact O-N 2.88Å; N222-K226 VanDerWaalsContact O-N 3.13Å
223	K	86.3	Confident	87.9	Confident	72 Å²	72	27.6 Å²	27.6	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-66.1	-44.4	175.6	-69.4	-174.5	-179.9	-179.4	0	111.6	T221 R225 K226 V227 L328 T530	T221-K223 PolarHBondContact O-N 2.82Å; K223-R225 VanDerWaalsContact C-N 3.35Å; K223-K226 PolarHBondContact O-N 2.92Å; K223-V227 WeakPolarHBondContact O-CG2 3.47Å; K223-V227 PolarHBondContact O-N 3.17Å; K223-V227 VanDerWaalsContact O-N 3.11Å; K223-L328 HydrophobicContact CB-CD1 3.95Å; K223-L328 HydrophobicContact CB-CD2 3.76Å; K223-L328 HydrophobicContact CD-CD2 3.66Å; K223-L328 HydrophobicContact CG-CD2 4.37Å; K223-T530 WeakPolarHBondContact CE-OG1 3.42Å
224	L	87.5	Confident	87.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-45	174.3	175.6	63.3	0	0	0	110.6	L218 T221 K226 V227 V228 L309 I325 L328 F329	L218-L224 HydrophobicContact CB-CD2 3.97Å; L218-L224 HydrophobicContact CD2-CD2 3.65Å; L218-L224 HydrophobicContact CG-CD2 4.34Å; T221-L224 HydrophobicContact CG2-CB 3.77Å; T221-L224 WeakPolarHBondContact O-CA 3.46Å; T221-L224 WeakPolarHBondContact O-CB 3.27Å; T221-L224 PolarHBondContact O-N 3.24Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.47Å; L224-V227 WeakPolarHBondContact O-CB 3.48Å; L224-V227 PolarHBondContact O-N 2.8Å; L224-V227 VanDerWaalsContact O-N 3.1Å; L224-V228 HydrophobicContact CD1-CG2 3.98Å; L224-V228 HydrophobicContact CG-CG2 4.19Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 2.83Å; L224-L309 HydrophobicContact CD1-CD2 4.47Å; L224-L309 HydrophobicContact CD2-CD2 4.38Å; L224-I325 HydrophobicContact CD1-CG1 4.11Å; L224-L328 HydrophobicContact CB-CD1 4.04Å; L224-F329 HydrophobicContact CB-CE2 4.45Å; L224-F329 HydrophobicContact CB-CZ 4.48Å; L224-F329 HydrophobicContact CD1-CE2 4.18Å; L224-F329 HydrophobicContact CD2-CE2 4.01Å; L224-F329 HydrophobicContact CD2-CZ 3.91Å; L224-F329 HydrophobicContact CG-CE2 4.44Å
225	R	88.7	Confident	87.1	Confident	45 Å²	45	43.5 Å²	43.5	17%	0.17	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-43.4	177.1	-176.2	176.6	67.5	-146.8	-8.1	112.6	F219 T221 N222 K223 V228 Y229 F250	F219-R225 HydrophobicContact CD2-CG 4.45Å; F219-R225 PolarHBondContact O-NH1 3.41Å; T221-R225 PolarHBondContact O-N 3.04Å; N222-R225 PolarHBondContact O-N 3.33Å; N222-R225 PolarHBondContact OD1-NH2 2.89Å; K223-R225 VanDerWaalsContact C-N 3.35Å; R225-V228 PolarHBondContact O-N 3.03Å; R225-Y229 HydrophobicContact CG-CD2 4.09Å; R225-Y229 HydrophobicContact CG-CE2 3.52Å; R225-Y229 WeakPolarHBondContact O-CD2 3.38Å; R225-Y229 PolarHBondContact O-N 2.84Å; R225-Y229 VanDerWaalsContact O-N 3.12Å; R225-F250 HydrophobicContact CB-CD2 4.19Å; R225-F250 HydrophobicContact CB-CE2 4.26Å; R225-F250 HydrophobicContact CG-CD2 3.85Å; R225-F250 HydrophobicContact CG-CE2 4.41Å; R225-F250 HydrophobicContact CG-CG 4.49Å
226	K	86.1	Confident	86.6	Confident	88 Å²	88	45 Å²	45	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-45.5	175.5	-72.6	-179.1	179.9	-176	0	111.6	N222 K223 L224 Y229 Q230 G532	N222-K226 WeakPolarHBondContact O-CG 3.24Å; N222-K226 PolarHBondContact O-N 2.88Å; N222-K226 VanDerWaalsContact O-N 3.13Å; K223-K226 PolarHBondContact O-N 2.92Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.47Å; K226-Y229 PolarHBondContact O-N 2.86Å; K226-Q230 WeakPolarHBondContact O-CG 3.33Å; K226-Q230 PolarHBondContact O-N 2.81Å; K226-G532 PolarHBondContact NZ-O 2.93Å; K226-G532 VanDerWaalsContact NZ-O 3.12Å
227	V	85.5	Confident	86.1	Confident	20 Å²	20	48 Å²	48	12%	0.121	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.2	169.3	0	0	0	0	111.2	K223 L224 Y229 Q230 M316 V321	K223-V227 WeakPolarHBondContact O-CG2 3.47Å; K223-V227 PolarHBondContact O-N 3.17Å; K223-V227 VanDerWaalsContact O-N 3.11Å; L224-V227 WeakPolarHBondContact O-CB 3.48Å; L224-V227 PolarHBondContact O-N 2.8Å; L224-V227 VanDerWaalsContact O-N 3.1Å; V227-Y229 PolarHBondContact O-N 2.97Å; V227-Q230 PolarHBondContact O-N 2.92Å; V227-Q230 VanDerWaalsContact O-N 3.09Å; V227-M316 HydrophobicContact CG1-CE 3.19Å; V227-M316 HydrophobicContact CG1-SD 3.75Å; V227-V321 HydrophobicContact CG1-CB 4.28Å
228	V	85.9	Confident	85.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-40.6	179.4	170.3	0	0	0	0	111.9	L224 R225 Q230 I231 M246 Q247 F250 L312	L224-V228 HydrophobicContact CD1-CG2 3.98Å; L224-V228 HydrophobicContact CG-CG2 4.19Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 2.83Å; R225-V228 PolarHBondContact O-N 3.03Å; V228-Q230 PolarHBondContact O-N 3.13Å; V228-I231 WeakPolarHBondContact O-CG1 3.38Å; V228-I231 PolarHBondContact O-N 2.79Å; V228-M246 HydrophobicContact CG1-CG 4.21Å; V228-M246 HydrophobicContact CG1-SD 4.43Å; V228-M246 HydrophobicContact CG2-CE 4.18Å; V228-M246 HydrophobicContact CG2-SD 4.3Å; V228-Q247 HydrophobicContact CG1-CG 3.79Å; V228-Q247 WeakPolarHBondContact O-CG 3.31Å; V228-Q247 PolarHBondContact O-NE2 3.08Å; V228-F250 HydrophobicContact CB-CD2 4.12Å; V228-F250 HydrophobicContact CB-CE2 4.17Å; V228-F250 HydrophobicContact CG1-CD2 3.91Å; V228-F250 HydrophobicContact CG1-CE2 4.23Å; V228-F250 HydrophobicContact CG2-CD2 4.48Å; V228-F250 HydrophobicContact CG2-CE2 4.03Å; V228-L312 HydrophobicContact CG2-CD1 4.42Å
229	Y	87	Confident	84.9	Confident	44 Å²	44	56.7 Å²	56.7	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-20.4	176.7	-68.2	-35.2	0	0	0	114.1	R225 K226 V227 F250 Y251 Q254	R225-Y229 HydrophobicContact CG-CD2 4.09Å; R225-Y229 HydrophobicContact CG-CE2 3.52Å; R225-Y229 WeakPolarHBondContact O-CD2 3.38Å; R225-Y229 PolarHBondContact O-N 2.84Å; R225-Y229 VanDerWaalsContact O-N 3.12Å; K226-Y229 PolarHBondContact O-N 2.86Å; V227-Y229 PolarHBondContact O-N 2.97Å; Y229-F250 HydrophobicContact CE1-CB 3.77Å; Y229-F250 PolarHBondContact OH-O 3.01Å; Y229-F250 VanDerWaalsContact OH-O 3.04Å; Y229-Y251 PolarHBondContact OH-N 3.27Å; Y229-Q254 PolarHBondContact OH-OE1 2.96Å
230	Q	84.3	Confident	84.3	Confident	109 Å²	109	63.9 Å²	63.9	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.2	-179.6	-71.8	175.1	-30.3	0	0	113.3	K226 V227 V228 S232 V321	K226-Q230 WeakPolarHBondContact O-CG 3.33Å; K226-Q230 PolarHBondContact O-N 2.81Å; V227-Q230 PolarHBondContact O-N 2.92Å; V227-Q230 VanDerWaalsContact O-N 3.09Å; V228-Q230 PolarHBondContact O-N 3.13Å; Q230-S232 PolarHBondContact O-N 2.77Å; Q230-V321 HydrophobicContact CB-CG1 3.66Å; Q230-V321 HydrophobicContact CB-CG2 4.44Å; Q230-V321 HydrophobicContact CG-CG1 4.38Å
231	I	82.5	Confident	84	Confident	6 Å²	6	64 Å²	64	3%	0.031	32%	0.32	C	S	.	.	S	Bend	trans	-70.4	126.8	175.4	-55.6	177.2	0	0	0	109.5	V228 T233 A243 Q247 L312 K315 M316	V228-I231 WeakPolarHBondContact O-CG1 3.38Å; V228-I231 PolarHBondContact O-N 2.79Å; I231-T233 HydrophobicContact CB-CG2 4.49Å; I231-T233 HydrophobicContact CG2-CG2 4.05Å; I231-T233 PolarHBondContact O-N 3.05Å; I231-A243 HydrophobicContact CG2-CB 4.26Å; I231-Q247 PolarHBondContact O-NE2 3.14Å; I231-L312 HydrophobicContact CD1-CB 4.49Å; I231-L312 HydrophobicContact CD1-CD2 3.98Å; I231-K315 HydrophobicContact CG2-CB 4.28Å; I231-M316 HydrophobicContact CD1-CG 3.81Å; I231-M316 HydrophobicContact CD1-SD 4Å; I231-M316 HydrophobicContact CG1-CG 3.74Å; I231-M316 HydrophobicContact CG1-SD 4.32Å
232	S	83.3	Confident	83.8	Confident	100 Å²	100	64 Å²	64	70%	0.699	32%	0.321	S	S	*	.			trans	-70.3	108.7	176.5	-55.7	0	0	0	0	111.2	Q230	Q230-S232 PolarHBondContact O-N 2.77Å
233	T	83.6	Confident	83.8	Confident	18 Å²	18	62.4 Å²	62.4	11%	0.11	31%	0.312	C	S	.	.			trans	-124.9	13.8	-177.1	55.9	0	0	0	0	113.3	I231 N235 D236 A243 L244 Q247	I231-T233 HydrophobicContact CB-CG2 4.49Å; I231-T233 HydrophobicContact CG2-CG2 4.05Å; I231-T233 PolarHBondContact O-N 3.05Å; T233-N235 VanDerWaalsContact C-N 3.29Å; T233-N235 PolarHBondContact O-N 3.39Å; T233-D236 PolarHBondContact O-N 2.9Å; T233-A243 HydrophobicContact CG2-CB 3.98Å; T233-L244 HydrophobicContact CG2-CB 4.29Å; T233-Q247 VanDerWaalsContact CG2-OE1 3.29Å; T233-Q247 PolarHBondContact OG1-OE1 3.31Å
234	E	81.4	Confident	83.8	Confident	185 Å²	185	60.1 Å²	60.1	86%	0.864	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-35	-174.7	-63.6	-179.5	174.8	0	0	113.2
235	N	81	Confident	83.8	Confident	165 Å²	165	60.3 Å²	60.3	88%	0.882	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	6.3	-178.1	-60.8	-44.7	0	0	0	113.5	T233	T233-N235 VanDerWaalsContact C-N 3.29Å; T233-N235 PolarHBondContact O-N 3.39Å
236	D	81.6	Confident	83.9	Confident	33 Å²	33	58.1 Å²	58.1	18%	0.176	30%	0.296	C	S	.	.	S	Bend	trans	-80.5	141.9	-175.9	-94.1	11.2	0	0	0	111.3	T233 P238 S241 K315	T233-D236 PolarHBondContact O-N 2.9Å; D236-P238 VanDerWaalsContact O-CD 3.3Å; D236-P238 WeakPolarHBondContact O-CD 3.3Å; D236-S241 VanDerWaalsContact OD2-CB 3.31Å; D236-S241 WeakPolarHBondContact OD2-CB 3.48Å; D236-S241 PolarHBondContact OD2-OG 2.85Å; D236-K315 VanDerWaalsContact CG-NZ 3.34Å; D236-K315 IonicContact OD1-NZ 3.43Å; D236-K315 PolarHBondContact OD1-NZ 3.48Å; D236-K315 IonicContact OD2-NZ 2.64Å; D236-K315 PolarHBondContact OD2-NZ 3.08Å
237	D	82.4	Confident	84.1	Confident	66 Å²	66	55 Å²	55	35%	0.353	28%	0.283	S	S	.	.			trans	-59.9	120.4	174.5	-179.8	-21.8	0	0	0	110.3	H239 K240 S241	D237-H239 PolarHBondContact O-N 3.48Å; D237-H239 IonicContact OD1-CD2 3.9Å; D237-H239 PolarHBondContact OD1-N 2.99Å; D237-K240 HydrophobicContact CB-CB 4.14Å; D237-K240 PolarHBondContact O-N 2.94Å; D237-K240 WeakPolarHBondContact OD2-CD 3.43Å; D237-K240 WeakPolarHBondContact OD2-CG 3.3Å; D237-S241 WeakPolarHBondContact O-CB 3.42Å; D237-S241 PolarHBondContact O-N 3.48Å
238	P	80.2	Confident	84.4	Confident	61 Å²	61	56.3 Å²	56.3	40%	0.396	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-22.1	178.2	-31.8	38.9	0	0	0	116.7	D236 R248	D236-P238 VanDerWaalsContact O-CD 3.3Å; D236-P238 WeakPolarHBondContact O-CD 3.3Å; P238-R248 PolarHBondContact O-NH1 3.3Å
239	H	77.7	Confident	84.6	Confident	122 Å²	122	56.5 Å²	56.5	57%	0.565	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-21	-173.8	-65.5	-79.3	0	0	0	113.7	D237	D237-H239 PolarHBondContact O-N 3.48Å; D237-H239 IonicContact OD1-CD2 3.9Å; D237-H239 PolarHBondContact OD1-N 2.99Å
240	K	79.6	Confident	84.9	Confident	159 Å²	159	54.4 Å²	54.4	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-20.9	-177.6	-61.4	-179.6	-174.7	172.4	0	113.8	D237 V242	D237-K240 HydrophobicContact CB-CB 4.14Å; D237-K240 PolarHBondContact O-N 2.94Å; D237-K240 WeakPolarHBondContact OD2-CD 3.43Å; D237-K240 WeakPolarHBondContact OD2-CG 3.3Å; K240-V242 PolarHBondContact O-N 2.92Å
241	S	84	Confident	85.3	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.063	26%	0.259	C	S	.	.			trans	-79.9	111.6	-178	177	0	0	0	0	112.4	D236 D237 L244 A245	D236-S241 VanDerWaalsContact OD2-CB 3.31Å; D236-S241 WeakPolarHBondContact OD2-CB 3.48Å; D236-S241 PolarHBondContact OD2-OG 2.85Å; D237-S241 WeakPolarHBondContact O-CB 3.42Å; D237-S241 PolarHBondContact O-N 3.48Å; S241-L244 WeakPolarHBondContact OG-CB 3.3Å; S241-L244 PolarHBondContact OG-N 3.13Å; S241-L244 VanDerWaalsContact OG-N 3.17Å; S241-A245 WeakPolarHBondContact O-CB 3.36Å; S241-A245 PolarHBondContact O-N 2.96Å
242	V	85	Confident	85.7	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-43	172	173.1	0	0	0	0	111.1	K240 L244 A245 M246 L265 F269 L308 N311	K240-V242 PolarHBondContact O-N 2.92Å; V242-L244 PolarHBondContact O-N 2.81Å; V242-A245 PolarHBondContact O-N 2.8Å; V242-M246 WeakPolarHBondContact O-CB 3.44Å; V242-M246 PolarHBondContact O-N 2.94Å; V242-L265 HydrophobicContact CG1-CD1 4.43Å; V242-F269 HydrophobicContact CB-CE1 4.31Å; V242-F269 HydrophobicContact CB-CZ 4.32Å; V242-F269 HydrophobicContact CG1-CE1 3.61Å; V242-F269 HydrophobicContact CG1-CE2 4.04Å; V242-F269 HydrophobicContact CG1-CZ 3.29Å; V242-F269 HydrophobicContact CG2-CD1 3.85Å; V242-F269 HydrophobicContact CG2-CE1 3.67Å; V242-F269 HydrophobicContact CG2-CG 4.37Å; V242-F269 HydrophobicContact CG2-CZ 4.04Å; V242-L308 HydrophobicContact CG1-CD1 3.99Å; V242-N311 WeakPolarHBondContact CB-OD1 3.39Å
243	A	86	Confident	86.2	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-47	179	0	0	0	0	0	111.6	I231 T233 M246 Q247 L312 K315	I231-A243 HydrophobicContact CG2-CB 4.26Å; T233-A243 HydrophobicContact CG2-CB 3.98Å; A243-M246 PolarHBondContact O-N 2.84Å; A243-Q247 WeakPolarHBondContact O-CG 3.42Å; A243-Q247 PolarHBondContact O-N 2.85Å; A243-L312 HydrophobicContact CB-CD2 4.09Å; A243-K315 HydrophobicContact CB-CG 4.47Å
244	L	87.4	Confident	86.4	Confident	25 Å²	25	50.3 Å²	50.3	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-38.5	177	-179.5	61.8	0	0	0	112	T233 S241 V242 R248	T233-L244 HydrophobicContact CG2-CB 4.29Å; S241-L244 WeakPolarHBondContact OG-CB 3.3Å; S241-L244 PolarHBondContact OG-N 3.13Å; S241-L244 VanDerWaalsContact OG-N 3.17Å; V242-L244 PolarHBondContact O-N 2.81Å; L244-R248 VanDerWaalsContact O-CG 3.28Å; L244-R248 WeakPolarHBondContact O-CG 3.16Å; L244-R248 PolarHBondContact O-N 2.99Å
245	A	88	Confident	86.8	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-41.1	175.6	0	0	0	0	0	111.8	S241 V242 R248 V249 L265	S241-A245 WeakPolarHBondContact O-CB 3.36Å; S241-A245 PolarHBondContact O-N 2.96Å; V242-A245 PolarHBondContact O-N 2.8Å; A245-R248 WeakPolarHBondContact O-CB 3.48Å; A245-R248 PolarHBondContact O-N 2.85Å; A245-V249 WeakPolarHBondContact O-CG2 3.26Å; A245-V249 PolarHBondContact O-N 2.81Å; A245-L265 HydrophobicContact CB-CB 4.19Å; A245-L265 HydrophobicContact CB-CD1 3.72Å
246	M	89.7	Confident	87.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-43.3	176.6	-171.3	174.6	-175.3	0	0	112	L218 V228 V242 A243 R248 V249 F250 L265 L308 L312	L218-M246 HydrophobicContact CB-CE 4.46Å; L218-M246 HydrophobicContact CD1-CE 4.21Å; V228-M246 HydrophobicContact CG1-CG 4.21Å; V228-M246 HydrophobicContact CG1-SD 4.43Å; V228-M246 HydrophobicContact CG2-CE 4.18Å; V228-M246 HydrophobicContact CG2-SD 4.3Å; V242-M246 WeakPolarHBondContact O-CB 3.44Å; V242-M246 PolarHBondContact O-N 2.94Å; A243-M246 PolarHBondContact O-N 2.84Å; M246-R248 VanDerWaalsContact C-N 3.28Å; M246-R248 PolarHBondContact O-N 2.86Å; M246-V249 PolarHBondContact O-N 2.9Å; M246-V249 VanDerWaalsContact O-N 3.16Å; M246-F250 HydrophobicContact CE-CE1 3.96Å; M246-F250 HydrophobicContact CE-CE2 3.7Å; M246-F250 HydrophobicContact CE-CZ 3.28Å; M246-F250 HydrophobicContact CG-CD1 4.46Å; M246-F250 HydrophobicContact CG-CE1 4.29Å; M246-F250 HydrophobicContact CG-CE2 4.47Å; M246-F250 HydrophobicContact CG-CZ 4.32Å; M246-F250 PolarHBondContact O-N 2.84Å; M246-L265 HydrophobicContact CB-CD1 4.46Å; M246-L308 HydrophobicContact CE-CD2 4.37Å; M246-L308 HydrophobicContact SD-CD1 3.95Å; M246-L312 HydrophobicContact CE-CD1 3.86Å; M246-L312 HydrophobicContact SD-CD1 3.33Å; M246-L312 WeakPolarHBondContact SD-CD1 3.17Å; M246-L312 HydrophobicContact SD-CD2 3.78Å; M246-L312 HydrophobicContact SD-CG 4.08Å
247	Q	89.9	Confident	87.3	Confident	21 Å²	21	39.5 Å²	39.5	10%	0.098	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-43.1	172.7	-76.9	175.5	-19.3	0	0	111.7	V228 I231 T233 A243 F250 Y251	V228-Q247 HydrophobicContact CG1-CG 3.79Å; V228-Q247 WeakPolarHBondContact O-CG 3.31Å; V228-Q247 PolarHBondContact O-NE2 3.08Å; I231-Q247 PolarHBondContact O-NE2 3.14Å; T233-Q247 VanDerWaalsContact CG2-OE1 3.29Å; T233-Q247 PolarHBondContact OG1-OE1 3.31Å; A243-Q247 WeakPolarHBondContact O-CG 3.42Å; A243-Q247 PolarHBondContact O-N 2.85Å; Q247-F250 PolarHBondContact O-N 2.82Å; Q247-Y251 WeakPolarHBondContact O-CB 3.37Å; Q247-Y251 PolarHBondContact O-N 2.76Å
248	R	91.4	Very high	87.5	Confident	49 Å²	49	43.9 Å²	43.9	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-45.2	175.5	-73.8	168.4	177.8	169.1	1.6	112	P238 L244 A245 M246 Y251 E252	P238-R248 PolarHBondContact O-NH1 3.3Å; L244-R248 VanDerWaalsContact O-CG 3.28Å; L244-R248 WeakPolarHBondContact O-CG 3.16Å; L244-R248 PolarHBondContact O-N 2.99Å; A245-R248 WeakPolarHBondContact O-CB 3.48Å; A245-R248 PolarHBondContact O-N 2.85Å; M246-R248 VanDerWaalsContact C-N 3.28Å; M246-R248 PolarHBondContact O-N 2.86Å; R248-Y251 PolarHBondContact O-N 3.3Å; R248-E252 WeakPolarHBondContact O-CB 3.2Å; R248-E252 WeakPolarHBondContact O-CG 3.11Å; R248-E252 PolarHBondContact O-N 3.12Å
249	V	92	Very high	87.9	Confident	5 Å²	5	43 Å²	43	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-47.1	178.2	171.3	0	0	0	0	110.8	L202 A245 M246 Y251 E252 L253 V260 T262 L265	L202-V249 HydrophobicContact CD2-CG1 4.22Å; A245-V249 WeakPolarHBondContact O-CG2 3.26Å; A245-V249 PolarHBondContact O-N 2.81Å; M246-V249 PolarHBondContact O-N 2.9Å; M246-V249 VanDerWaalsContact O-N 3.16Å; V249-Y251 VanDerWaalsContact C-N 3.34Å; V249-Y251 PolarHBondContact O-N 2.72Å; V249-E252 PolarHBondContact O-N 2.86Å; V249-L253 HydrophobicContact CG1-CD1 3.98Å; V249-L253 HydrophobicContact CG1-CG 4.4Å; V249-L253 WeakPolarHBondContact O-CB 3.45Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 3.31Å; V249-V260 HydrophobicContact CG1-CG1 4.3Å; V249-T262 HydrophobicContact CG2-CG2 4.43Å; V249-L265 HydrophobicContact CG2-CB 4.42Å; V249-L265 HydrophobicContact CG2-CD2 4.47Å
250	F	92.8	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-40.9	178.7	-78.6	8.6	0	0	0	112.1	L218 F219 R225 V228 Y229 M246 Q247 L253 Q254	L218-F250 HydrophobicContact CB-CZ 3.97Å; F219-F250 HydrophobicContact CB-CD1 4.05Å; F219-F250 HydrophobicContact CB-CE1 3.77Å; F219-F250 HydrophobicContact CB-CZ 4.25Å; F219-F250 HydrophobicContact CD2-CB 4.08Å; F219-F250 AromaticContact CD2-CD1 3.89Å; F219-F250 HydrophobicContact CD2-CD1 3.89Å; F219-F250 HydrophobicContact CD2-CE1 4.41Å; F219-F250 AromaticContact CD2-CG 3.94Å; F219-F250 HydrophobicContact CD2-CG 3.94Å; F219-F250 HydrophobicContact CE2-CB 4.45Å; F219-F250 VanDerWaalsContact CE2-O 3.24Å; F219-F250 WeakPolarHBondContact CE2-O 3.27Å; F219-F250 HydrophobicContact CG-CD1 4.45Å; R225-F250 HydrophobicContact CB-CD2 4.19Å; R225-F250 HydrophobicContact CB-CE2 4.26Å; R225-F250 HydrophobicContact CG-CD2 3.85Å; R225-F250 HydrophobicContact CG-CE2 4.41Å; R225-F250 HydrophobicContact CG-CG 4.49Å; V228-F250 HydrophobicContact CB-CD2 4.12Å; V228-F250 HydrophobicContact CB-CE2 4.17Å; V228-F250 HydrophobicContact CG1-CD2 3.91Å; V228-F250 HydrophobicContact CG1-CE2 4.23Å; V228-F250 HydrophobicContact CG2-CD2 4.48Å; V228-F250 HydrophobicContact CG2-CE2 4.03Å; Y229-F250 HydrophobicContact CE1-CB 3.77Å; Y229-F250 PolarHBondContact OH-O 3.01Å; Y229-F250 VanDerWaalsContact OH-O 3.04Å; M246-F250 HydrophobicContact CE-CE1 3.96Å; M246-F250 HydrophobicContact CE-CE2 3.7Å; M246-F250 HydrophobicContact CE-CZ 3.28Å; M246-F250 HydrophobicContact CG-CD1 4.46Å; M246-F250 HydrophobicContact CG-CE1 4.29Å; M246-F250 HydrophobicContact CG-CE2 4.47Å; M246-F250 HydrophobicContact CG-CZ 4.32Å; M246-F250 PolarHBondContact O-N 2.84Å; Q247-F250 PolarHBondContact O-N 2.82Å; F250-L253 HydrophobicContact CD1-CD1 4.48Å; F250-L253 PolarHBondContact O-N 3.08Å; F250-Q254 WeakPolarHBondContact O-CB 3.23Å; F250-Q254 PolarHBondContact O-N 3.21Å; F250-Q254 VanDerWaalsContact O-N 3.07Å
251	Y	91.4	Very high	89	Confident	26 Å²	26	31.3 Å²	31.3	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-51	175.9	179.1	-96.1	0	0	0	111.5	Y229 Q247 R248 V249 L253 Q254 F255 M537 E541	Y229-Y251 PolarHBondContact OH-N 3.27Å; Q247-Y251 WeakPolarHBondContact O-CB 3.37Å; Q247-Y251 PolarHBondContact O-N 2.76Å; R248-Y251 PolarHBondContact O-N 3.3Å; V249-Y251 VanDerWaalsContact C-N 3.34Å; V249-Y251 PolarHBondContact O-N 2.72Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.5Å; Y251-Q254 PolarHBondContact O-N 3.42Å; Y251-Q254 VanDerWaalsContact O-N 3.11Å; Y251-F255 AromaticContact CD2-CD2 3.61Å; Y251-F255 HydrophobicContact CD2-CD2 3.61Å; Y251-F255 AromaticContact CD2-CE2 3.61Å; Y251-F255 HydrophobicContact CD2-CE2 3.61Å; Y251-F255 HydrophobicContact CE1-CD2 4.47Å; Y251-F255 AromaticContact CE2-CD2 3.49Å; Y251-F255 HydrophobicContact CE2-CD2 3.49Å; Y251-F255 VanDerWaalsContact CE2-CD2 3.49Å; Y251-F255 AromaticContact CE2-CE2 3.52Å; Y251-F255 HydrophobicContact CE2-CE2 3.52Å; Y251-F255 HydrophobicContact CG-CD2 4.16Å; Y251-F255 AromaticContact CZ-CD2 3.98Å; Y251-F255 WeakPolarHBondContact O-CD2 3.41Å; Y251-F255 PolarHBondContact O-N 2.82Å; Y251-F255 VanDerWaalsContact O-N 3.11Å; Y251-M537 HydrophobicContact CD2-CE 4.39Å; Y251-M537 HydrophobicContact CE2-CE 4.33Å; Y251-E541 VanDerWaalsContact CE1-CD 3.47Å; Y251-E541 HydrophobicContact CE1-CG 3.73Å; Y251-E541 WeakPolarHBondContact OH-CA 3.4Å; Y251-E541 WeakPolarHBondContact OH-CB 3.26Å; Y251-E541 VanDerWaalsContact OH-CD 3.3Å; Y251-E541 WeakPolarHBondContact OH-CG 3.24Å; Y251-E541 PolarHBondContact OH-N 2.86Å; Y251-E541 PolarHBondContact OH-OE2 3.24Å
252	E	92.1	Very high	89.2	Confident	64 Å²	64	30.9 Å²	30.9	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-62.4	-39.2	177.7	-70.9	-171.9	-175.5	0	0	111.1	I200 R248 V249 Q254 F255 S256 V260	I200-E252 VanDerWaalsContact CD1-O 3.27Å; I200-E252 WeakPolarHBondContact CD1-O 3.37Å; R248-E252 WeakPolarHBondContact O-CB 3.2Å; R248-E252 WeakPolarHBondContact O-CG 3.11Å; R248-E252 PolarHBondContact O-N 3.12Å; V249-E252 PolarHBondContact O-N 2.86Å; E252-Q254 PolarHBondContact O-N 3.16Å; E252-F255 PolarHBondContact O-N 2.85Å; E252-S256 WeakPolarHBondContact O-CA 3.22Å; E252-S256 WeakPolarHBondContact O-CB 3.5Å; E252-S256 PolarHBondContact O-N 2.94Å; E252-V260 HydrophobicContact CB-CB 4.29Å; E252-V260 HydrophobicContact CB-CG1 3.73Å; E252-V260 HydrophobicContact CB-CG2 3.66Å
253	L	92.3	Very high	89.2	Confident	10 Å²	10	37.1 Å²	37.1	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-31.3	175	-82.3	174.2	0	0	0	113.2	I200 L202 F219 V249 F250 Y251 V260	I200-L253 HydrophobicContact CG1-CD2 4.06Å; L202-L253 HydrophobicContact CD2-CD1 4.12Å; L202-L253 HydrophobicContact CD2-CD2 3.67Å; L202-L253 HydrophobicContact CD2-CG 4.01Å; L202-L253 HydrophobicContact CG-CD2 4.22Å; F219-L253 HydrophobicContact CB-CD1 3.89Å; F219-L253 HydrophobicContact CD1-CB 4.32Å; F219-L253 HydrophobicContact CD1-CD1 4.25Å; F219-L253 HydrophobicContact CD2-CB 3.9Å; F219-L253 HydrophobicContact CD2-CD1 3.97Å; F219-L253 HydrophobicContact CE1-CB 4.12Å; F219-L253 HydrophobicContact CE2-CB 3.68Å; F219-L253 HydrophobicContact CG-CB 4.21Å; F219-L253 HydrophobicContact CG-CD1 3.76Å; F219-L253 HydrophobicContact CZ-CB 3.79Å; V249-L253 HydrophobicContact CG1-CD1 3.98Å; V249-L253 HydrophobicContact CG1-CG 4.4Å; V249-L253 WeakPolarHBondContact O-CB 3.45Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 3.31Å; F250-L253 HydrophobicContact CD1-CD1 4.48Å; F250-L253 PolarHBondContact O-N 3.08Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.5Å; L253-V260 HydrophobicContact CD2-CB 4.48Å; L253-V260 HydrophobicContact CD2-CG2 3.97Å; L253-V260 HydrophobicContact CG-CG2 4.08Å
254	Q	89.8	Confident	89.1	Confident	47 Å²	47	42.8 Å²	42.8	22%	0.22	21%	0.21	C	C	.	.	H	α-helix	trans	-82.3	-36.4	-178.5	-174.4	170.8	-30.4	0	0	112.9	F219 Y229 F250 Y251 E252 M535	F219-Q254 HydrophobicContact CE2-CB 4.11Å; F219-Q254 HydrophobicContact CZ-CB 4.02Å; Y229-Q254 PolarHBondContact OH-OE1 2.96Å; F250-Q254 WeakPolarHBondContact O-CB 3.23Å; F250-Q254 PolarHBondContact O-N 3.21Å; F250-Q254 VanDerWaalsContact O-N 3.07Å; Y251-Q254 PolarHBondContact O-N 3.42Å; Y251-Q254 VanDerWaalsContact O-N 3.11Å; E252-Q254 PolarHBondContact O-N 3.16Å; Q254-M535 PolarHBondContact NE2-O 2.85Å
255	F	88.5	Confident	89	Confident	43 Å²	43	41.6 Å²	41.6	19%	0.189	20%	0.204	C	C	.	.	H	α-helix	trans	-119.5	-25.6	-168.3	-60.1	-73.2	0	0	0	115.5	K194 Y251 E252 M537 E541	K194-F255 PolarHBondContact NZ-O 2.85Å; K194-F255 VanDerWaalsContact NZ-O 3.17Å; Y251-F255 AromaticContact CD2-CD2 3.61Å; Y251-F255 HydrophobicContact CD2-CD2 3.61Å; Y251-F255 AromaticContact CD2-CE2 3.61Å; Y251-F255 HydrophobicContact CD2-CE2 3.61Å; Y251-F255 HydrophobicContact CE1-CD2 4.47Å; Y251-F255 AromaticContact CE2-CD2 3.49Å; Y251-F255 HydrophobicContact CE2-CD2 3.49Å; Y251-F255 VanDerWaalsContact CE2-CD2 3.49Å; Y251-F255 AromaticContact CE2-CE2 3.52Å; Y251-F255 HydrophobicContact CE2-CE2 3.52Å; Y251-F255 HydrophobicContact CG-CD2 4.16Å; Y251-F255 AromaticContact CZ-CD2 3.98Å; Y251-F255 WeakPolarHBondContact O-CD2 3.41Å; Y251-F255 PolarHBondContact O-N 2.82Å; Y251-F255 VanDerWaalsContact O-N 3.11Å; E252-F255 PolarHBondContact O-N 2.85Å; F255-M537 HydrophobicContact CZ-CB 4.31Å; F255-E541 WeakPolarHBondContact CB-OE1 3.37Å; F255-E541 WeakPolarHBondContact CB-OE2 3.3Å; F255-E541 VanDerWaalsContact CG-OE2 3.3Å; F255-E541 WeakPolarHBondContact CG-OE2 3.48Å
256	S	88.5	Confident	88.7	Confident	22 Å²	22	41.8 Å²	41.8	15%	0.154	21%	0.205	C	C	.	.			trans	-63.1	155.2	179	-177.2	0	0	0	0	111.3	K194 I200 E252 K258	K194-S256 PolarHBondContact NZ-O 2.9Å; I200-S256 WeakPolarHBondContact CD1-O 3.49Å; E252-S256 WeakPolarHBondContact O-CA 3.22Å; E252-S256 WeakPolarHBondContact O-CB 3.5Å; E252-S256 PolarHBondContact O-N 2.94Å; S256-K258 PolarHBondContact OG-N 2.89Å; S256-K258 PolarHBondContact OG-O 3.06Å
257	D	85	Confident	88.2	Confident	91 Å²	91	49.7 Å²	49.7	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	-102.5	-7.5	169.5	-52.1	-57.2	0	0	0	111.4	K194 K545	K194-D257 HydrophobicContact CD-CB 4.36Å; K194-D257 VanDerWaalsContact CD-OD1 3.25Å; K194-D257 WeakPolarHBondContact CD-OD1 3.31Å; K194-D257 WeakPolarHBondContact CE-OD1 3.49Å; K194-D257 IonicContact NZ-OD1 3.73Å; K194-D257 PolarHBondContact NZ-OD1 2.84Å; D257-K545 IonicContact OD2-NZ 3.84Å
258	K	86.7	Confident	87.6	Confident	158 Å²	158	49.4 Å²	49.4	69%	0.687	24%	0.235	S	C	*	.	S	Bend	trans	-113.9	148.4	-177	-64.4	-175.6	179.4	-177.3	0	110.6	S256 V260	S256-K258 PolarHBondContact OG-N 2.89Å; S256-K258 PolarHBondContact OG-O 3.06Å; K258-V260 PolarHBondContact O-N 2.75Å
259	P	88	Confident	86.6	Confident	42 Å²	42	49 Å²	49	27%	0.273	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-50.9	133.2	174.9	-27.4	34.3	0	0	0	112.4	G201 K203 D487	G201-P259 WeakPolarHBondContact O-CA 3.09Å; K203-P259 VanDerWaalsContact CE-O 3.23Å; K203-P259 WeakPolarHBondContact CE-O 3.43Å; K203-P259 HydrophobicContact CG-CB 3.71Å; P259-D487 HydrophobicContact CB-CB 3.7Å; P259-D487 HydrophobicContact CG-CB 3.69Å
260	V	91.8	Very high	85.4	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-82.7	136.1	-171	176.4	0	0	0	0	110.6	I200 G201 L202 K203 V249 E252 L253 K258	I200-V260 HydrophobicContact CD1-CG2 3.65Å; I200-V260 HydrophobicContact CG1-CG2 4.37Å; G201-V260 PolarHBondContact O-N 3.17Å; L202-V260 HydrophobicContact CD2-CB 3.72Å; L202-V260 HydrophobicContact CD2-CG1 4.09Å; K203-V260 PolarHBondContact N-O 2.94Å; V249-V260 HydrophobicContact CG1-CG1 4.3Å; E252-V260 HydrophobicContact CB-CB 4.29Å; E252-V260 HydrophobicContact CB-CG1 3.73Å; E252-V260 HydrophobicContact CB-CG2 3.66Å; L253-V260 HydrophobicContact CD2-CB 4.48Å; L253-V260 HydrophobicContact CD2-CG2 3.97Å; L253-V260 HydrophobicContact CG-CG2 4.08Å; K258-V260 PolarHBondContact O-N 2.75Å
261	G	89.6	Confident	84.2	Confident	35 Å²	35	52.5 Å²	52.5	36%	0.361	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-88.4	127.1	177.6	0	0	0	0	0	112.2
262	T	87	Confident	82.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.			trans	-92.1	8.2	179.9	46.6	0	0	0	0	114	L202 Q205 M211 L215 V249 K264 L265 T266	L202-T262 HydrophobicContact CD1-CG2 4.46Å; L202-T262 HydrophobicContact CD2-CG2 4.09Å; Q205-T262 PolarHBondContact NE2-O 2.76Å; Q205-T262 PolarHBondContact NE2-OG1 3.07Å; M211-T262 VanDerWaalsContact CE-CB 3.48Å; M211-T262 HydrophobicContact CE-CG2 4Å; M211-T262 WeakPolarHBondContact CE-OG1 3.44Å; L215-T262 HydrophobicContact CD1-CG2 3.7Å; V249-T262 HydrophobicContact CG2-CG2 4.43Å; T262-K264 VanDerWaalsContact C-N 3.3Å; T262-K264 PolarHBondContact O-N 3.06Å; T262-L265 WeakPolarHBondContact O-CB 3.33Å; T262-L265 PolarHBondContact O-N 2.85Å; T262-T266 PolarHBondContact O-N 3.39Å; T262-T266 VanDerWaalsContact O-N 3.09Å; T262-T266 PolarHBondContact O-OG1 2.87Å
263	K	85.5	Confident	81.3	Confident	138 Å²	138	57.1 Å²	57.1	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-56.1	-37.3	-175	-75.6	-179.6	179.6	-167.4	0	114.5	Q205 L265 T266 R267	Q205-K263 HydrophobicContact CG-CG 4.43Å; K263-L265 VanDerWaalsContact C-N 3.35Å; K263-T266 PolarHBondContact O-OG1 3.34Å; K263-T266 VanDerWaalsContact O-OG1 3.08Å; K263-R267 WeakPolarHBondContact O-CB 3.29Å; K263-R267 VanDerWaalsContact O-CG 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.34Å; K263-R267 PolarHBondContact O-N 3.43Å
264	K	84.8	Confident	79.6	Confident	118 Å²	118	63.6 Å²	63.6	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-74.1	-31.6	-179.7	-67.9	-175.9	177.6	-176.8	0	111.6	T262 S268	T262-K264 VanDerWaalsContact C-N 3.3Å; T262-K264 PolarHBondContact O-N 3.06Å; K264-S268 WeakPolarHBondContact O-CB 3.12Å; K264-S268 PolarHBondContact O-N 2.64Å; K264-S268 VanDerWaalsContact O-N 3.08Å; K264-S268 PolarHBondContact O-OG 2.83Å
265	L	84.6	Confident	78.1	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-72.1	-48.3	178.6	-175.9	67.7	0	0	0	110.7	L215 V242 A245 M246 V249 T262 K263 R267 S268 F269	L215-L265 HydrophobicContact CD1-CD2 3.72Å; L215-L265 HydrophobicContact CD2-CD2 3.71Å; L215-L265 HydrophobicContact CG-CD2 4.31Å; V242-L265 HydrophobicContact CG1-CD1 4.43Å; A245-L265 HydrophobicContact CB-CB 4.19Å; A245-L265 HydrophobicContact CB-CD1 3.72Å; M246-L265 HydrophobicContact CB-CD1 4.46Å; V249-L265 HydrophobicContact CG2-CB 4.42Å; V249-L265 HydrophobicContact CG2-CD2 4.47Å; T262-L265 WeakPolarHBondContact O-CB 3.33Å; T262-L265 PolarHBondContact O-N 2.85Å; K263-L265 VanDerWaalsContact C-N 3.35Å; L265-R267 VanDerWaalsContact C-N 3.31Å; L265-R267 PolarHBondContact O-N 3.43Å; L265-S268 WeakPolarHBondContact CA-OG 3.35Å; L265-S268 PolarHBondContact O-N 3.41Å; L265-S268 PolarHBondContact O-OG 3.13Å; L265-F269 HydrophobicContact CD1-CD2 4.33Å; L265-F269 HydrophobicContact CD1-CE2 3.62Å; L265-F269 HydrophobicContact CD1-CZ 4.38Å; L265-F269 HydrophobicContact CD2-CE2 4.43Å; L265-F269 HydrophobicContact CG-CD2 4.19Å; L265-F269 HydrophobicContact CG-CE2 3.74Å; L265-F269 WeakPolarHBondContact O-CD2 3.42Å; L265-F269 PolarHBondContact O-N 2.99Å
266	T	81	Confident	76.5	Confident	6 Å²	6	62 Å²	62	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-44.3	176.6	51.4	0	0	0	0	111.6	T208 M211 T262 K263 S268 F269 W271	T208-T266 HydrophobicContact CG2-CG2 4.41Å; M211-T266 HydrophobicContact CE-CG2 3.73Å; M211-T266 HydrophobicContact SD-CG2 3.77Å; T262-T266 PolarHBondContact O-N 3.39Å; T262-T266 VanDerWaalsContact O-N 3.09Å; T262-T266 PolarHBondContact O-OG1 2.87Å; K263-T266 PolarHBondContact O-OG1 3.34Å; K263-T266 VanDerWaalsContact O-OG1 3.08Å; T266-S268 VanDerWaalsContact C-N 3.35Å; T266-S268 PolarHBondContact O-N 2.9Å; T266-F269 PolarHBondContact O-N 2.86Å; T266-F269 VanDerWaalsContact O-N 3.17Å; T266-W271 HydrophobicContact CG2-CE3 3.9Å; T266-W271 HydrophobicContact CG2-CZ3 4.2Å; T266-W271 PolarHBondContact O-N 2.87Å
267	R	80.1	Confident	74.6	Confident	167 Å²	167	67.4 Å²	67.4	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-38.8	173.5	-74.2	179.8	-177.4	-166.9	-1	113.7	K263 L265 F269 G270	K263-R267 WeakPolarHBondContact O-CB 3.29Å; K263-R267 VanDerWaalsContact O-CG 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.34Å; K263-R267 PolarHBondContact O-N 3.43Å; L265-R267 VanDerWaalsContact C-N 3.31Å; L265-R267 PolarHBondContact O-N 3.43Å; R267-F269 PolarHBondContact O-N 2.86Å; R267-G270 PolarHBondContact O-N 2.81Å
268	S	76.9	Confident	72.8	Confident	15 Å²	15	66.8 Å²	66.8	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-22.1	178.7	66	0	0	0	0	113.5	K264 L265 T266 G270	K264-S268 WeakPolarHBondContact O-CB 3.12Å; K264-S268 PolarHBondContact O-N 2.64Å; K264-S268 VanDerWaalsContact O-N 3.08Å; K264-S268 PolarHBondContact O-OG 2.83Å; L265-S268 WeakPolarHBondContact CA-OG 3.35Å; L265-S268 PolarHBondContact O-N 3.41Å; L265-S268 PolarHBondContact O-OG 3.13Å; T266-S268 VanDerWaalsContact C-N 3.35Å; T266-S268 PolarHBondContact O-N 2.9Å; S268-G270 VanDerWaalsContact C-N 3.32Å
269	F	70.3	Confident	70.9	Confident	40 Å²	40	64 Å²	64	18%	0.175	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.3	171.8	-73.5	-65.8	0	0	0	114	V242 L265 T266 R267 W271 W304 L308	V242-F269 HydrophobicContact CB-CE1 4.31Å; V242-F269 HydrophobicContact CB-CZ 4.32Å; V242-F269 HydrophobicContact CG1-CE1 3.61Å; V242-F269 HydrophobicContact CG1-CE2 4.04Å; V242-F269 HydrophobicContact CG1-CZ 3.29Å; V242-F269 HydrophobicContact CG2-CD1 3.85Å; V242-F269 HydrophobicContact CG2-CE1 3.67Å; V242-F269 HydrophobicContact CG2-CG 4.37Å; V242-F269 HydrophobicContact CG2-CZ 4.04Å; L265-F269 HydrophobicContact CD1-CD2 4.33Å; L265-F269 HydrophobicContact CD1-CE2 3.62Å; L265-F269 HydrophobicContact CD1-CZ 4.38Å; L265-F269 HydrophobicContact CD2-CE2 4.43Å; L265-F269 HydrophobicContact CG-CD2 4.19Å; L265-F269 HydrophobicContact CG-CE2 3.74Å; L265-F269 WeakPolarHBondContact O-CD2 3.42Å; L265-F269 PolarHBondContact O-N 2.99Å; T266-F269 PolarHBondContact O-N 2.86Å; T266-F269 VanDerWaalsContact O-N 3.17Å; R267-F269 PolarHBondContact O-N 2.86Å; F269-W271 VanDerWaalsContact C-N 3.31Å; F269-W304 HydrophobicContact CD2-CZ2 4.44Å; F269-W304 AromaticContact CE2-CZ2 3.87Å; F269-W304 HydrophobicContact CE2-CZ2 3.87Å; F269-W304 HydrophobicContact CZ-CZ2 4.18Å; F269-L308 HydrophobicContact CZ-CD1 3.68Å
270	G	67.9	Low	69.1	Low	59 Å²	59	62.2 Å²	62.2	61%	0.608	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	9.6	-175.5	0	0	0	0	0	114.2	R267 S268 D272	R267-G270 PolarHBondContact O-N 2.81Å; S268-G270 VanDerWaalsContact C-N 3.32Å; G270-D272 PolarHBondContact O-N 2.99Å
271	W	66.8	Low	66.9	Low	19 Å²	19	63.2 Å²	63.2	7%	0.072	32%	0.321	C	S	.	.			trans	-69.1	122.4	172.6	-64	4.5	0	0	0	108.8	Y210 M211 T266 F269 D275 L285 W304	Y210-W271 HydrophobicContact CE2-CH2 4.02Å; Y210-W271 WeakPolarHBondContact OH-CH2 3.47Å; Y210-W271 VanDerWaalsContact OH-CZ3 3.27Å; Y210-W271 WeakPolarHBondContact OH-CZ3 3.48Å; M211-W271 HydrophobicContact SD-CH2 4.25Å; M211-W271 HydrophobicContact SD-CZ3 4.12Å; T266-W271 HydrophobicContact CG2-CE3 3.9Å; T266-W271 HydrophobicContact CG2-CZ3 4.2Å; T266-W271 PolarHBondContact O-N 2.87Å; F269-W271 VanDerWaalsContact C-N 3.31Å; W271-D275 HydrophobicContact CB-CB 4.02Å; W271-D275 HydrophobicContact CG-CB 4.35Å; W271-L285 HydrophobicContact CH2-CD1 3.5Å; W271-L285 VanDerWaalsContact CH2-CD1 3.5Å; W271-L285 HydrophobicContact CH2-CD2 3.82Å; W271-L285 HydrophobicContact CH2-CG 4.23Å; W271-L285 HydrophobicContact CZ2-CD1 3.09Å; W271-L285 HydrophobicContact CZ2-CD2 3.83Å; W271-L285 HydrophobicContact CZ2-CG 3.86Å; W271-W304 AromaticContact CZ2-NE1 3.84Å
272	D	62.2	Low	64.9	Low	87 Å²	87	63 Å²	63	47%	0.465	31%	0.313	S	S	.	.			trans	-77.1	-178.3	169.3	75.9	17.2	0	0	0	110.2	G270 F274 D275 S276	G270-D272 PolarHBondContact O-N 2.99Å; D272-F274 PolarHBondContact O-N 3.42Å; D272-F274 VanDerWaalsContact OD1-CA 3.26Å; D272-F274 WeakPolarHBondContact OD1-CA 3.32Å; D272-F274 WeakPolarHBondContact OD1-CB 3.49Å; D272-F274 PolarHBondContact OD1-N 3.11Å; D272-D275 PolarHBondContact N-OD2 2.83Å; D272-D275 PolarHBondContact OD1-N 2.73Å; D272-S276 PolarHBondContact O-N 2.94Å
273	T	60	Low	62.7	Low	100 Å²	100	66.3 Å²	66.3	61%	0.613	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-32	179.8	-44.7	0	0	0	0	110.3	S276 F277	T273-S276 PolarHBondContact O-N 2.76Å; T273-S276 PolarHBondContact O-OG 2.62Å; T273-F277 HydrophobicContact CG2-CD2 4.3Å; T273-F277 HydrophobicContact CG2-CE2 4.04Å; T273-F277 VanDerWaalsContact O-CD2 3.24Å; T273-F277 WeakPolarHBondContact O-CD2 3.27Å; T273-F277 PolarHBondContact O-N 2.81Å
274	F	56.6	Low	60.8	Low	147 Å²	147	63.8 Å²	63.8	65%	0.645	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-43.2	-178.8	-164.4	-96.9	0	0	0	111.6	D272 S276 F277 L278	D272-F274 PolarHBondContact O-N 3.42Å; D272-F274 VanDerWaalsContact OD1-CA 3.26Å; D272-F274 WeakPolarHBondContact OD1-CA 3.32Å; D272-F274 WeakPolarHBondContact OD1-CB 3.49Å; D272-F274 PolarHBondContact OD1-N 3.11Å; F274-S276 PolarHBondContact O-N 2.92Å; F274-F277 PolarHBondContact O-N 2.81Å; F274-L278 HydrophobicContact CD1-CD1 4.04Å; F274-L278 HydrophobicContact CE1-CD1 3.6Å; F274-L278 HydrophobicContact CZ-CD1 4.29Å; F274-L278 PolarHBondContact O-N 2.95Å; F274-L278 VanDerWaalsContact O-N 3.08Å
275	D	58.4	Low	58.9	Low	48 Å²	48	58.4 Å²	58.4	26%	0.257	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.4	173.9	-61.1	-38.1	0	0	0	111.2	W271 D272 F277 L278 H280	W271-D275 HydrophobicContact CB-CB 4.02Å; W271-D275 HydrophobicContact CG-CB 4.35Å; D272-D275 PolarHBondContact N-OD2 2.83Å; D272-D275 PolarHBondContact OD1-N 2.73Å; D275-F277 PolarHBondContact O-N 2.95Å; D275-L278 PolarHBondContact O-N 3.16Å; D275-H280 PolarHBondContact O-CD2 2.98Å; D275-H280 PolarHBondContact O-NE2 3.24Å
276	S	54.6	Low	56.6	Low	7 Å²	7	59.4 Å²	59.4	5%	0.049	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.6	177.7	73.9	0	0	0	0	114.7	A207 D272 T273 F274	A207-S276 VanDerWaalsContact CB-O 3.32Å; A207-S276 WeakPolarHBondContact CB-O 3.47Å; A207-S276 PolarHBondContact N-O 2.92Å; D272-S276 PolarHBondContact O-N 2.94Å; T273-S276 PolarHBondContact O-N 2.76Å; T273-S276 PolarHBondContact O-OG 2.62Å; F274-S276 PolarHBondContact O-N 2.92Å
277	F	48.2	Very low	54.4	Low	137 Å²	137	67.6 Å²	67.6	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-18	172.6	-82.6	-83.2	0	0	0	112.8	T273 F274 D275 Q279	T273-F277 HydrophobicContact CG2-CD2 4.3Å; T273-F277 HydrophobicContact CG2-CE2 4.04Å; T273-F277 VanDerWaalsContact O-CD2 3.24Å; T273-F277 WeakPolarHBondContact O-CD2 3.27Å; T273-F277 PolarHBondContact O-N 2.81Å; F274-F277 PolarHBondContact O-N 2.81Å; D275-F277 PolarHBondContact O-N 2.95Å; F277-Q279 PolarHBondContact O-N 3.29Å
278	L	48.8	Very low	52.3	Low	78 Å²	78	62.2 Å²	62.2	41%	0.408	32%	0.318	S	S	.	.	S	Bend	trans	-72.4	123.3	171.5	-120.2	84.2	0	0	0	108.8	A207 F274 D275 H280	A207-L278 WeakPolarHBondContact CB-O 2.98Å; F274-L278 HydrophobicContact CD1-CD1 4.04Å; F274-L278 HydrophobicContact CE1-CD1 3.6Å; F274-L278 HydrophobicContact CZ-CD1 4.29Å; F274-L278 PolarHBondContact O-N 2.95Å; F274-L278 VanDerWaalsContact O-N 3.08Å; D275-L278 PolarHBondContact O-N 3.16Å; L278-H280 PolarHBondContact O-CD2 2.78Å; L278-H280 PolarHBondContact O-N 2.57Å
279	Q	46.5	Very low	50.5	Low	98 Å²	98	62.7 Å²	62.7	46%	0.458	32%	0.32	S	S	.	.			trans	-68.7	89.5	169.9	-72	-176	0	0	0	108.6	A207 F277 D281 H465	A207-Q279 HydrophobicContact CB-CG 3.97Å; F277-Q279 PolarHBondContact O-N 3.29Å; Q279-D281 PolarHBondContact O-N 2.91Å; Q279-H465 PolarHBondContact OE1-O 3.1Å
280	H	49.1	Very low	48.8	Very low	6 Å²	6	64.6 Å²	64.6	3%	0.028	34%	0.339	C	S	.	.			trans	-70.5	114.4	166.3	-63.3	-64.2	0	0	0	107.4	Y210 D275 L278 L285	Y210-H280 WeakPolarHBondContact CD1-O 3.41Å; Y210-H280 HydrophobicContact CE1-CB 4.3Å; Y210-H280 VanDerWaalsContact CE1-O 3.27Å; Y210-H280 WeakPolarHBondContact CE1-O 3.41Å; D275-H280 PolarHBondContact O-CD2 2.98Å; D275-H280 PolarHBondContact O-NE2 3.24Å; L278-H280 PolarHBondContact O-CD2 2.78Å; L278-H280 PolarHBondContact O-N 2.57Å; H280-L285 HydrophobicContact CB-CB 4.05Å; H280-L285 HydrophobicContact CB-CD1 3.77Å
281	D	46.1	Very low	47.3	Very low	21 Å²	21	68.7 Å²	68.7	11%	0.112	35%	0.345	C	S	.	.			trans	-47.2	145.2	164.6	-173.2	-18.6	0	0	0	108.1	Q279 Q283 E284 L285 F464	Q279-D281 PolarHBondContact O-N 2.91Å; D281-Q283 CarbonylContact O-C 3.59Å; D281-Q283 PolarHBondContact O-N 2.8Å; D281-Q283 PolarHBondContact OD1-N 3.31Å; D281-E284 HydrophobicContact CB-CB 3.82Å; D281-E284 HydrophobicContact CB-CG 3.76Å; D281-E284 CarbonylContact O-C 3.47Å; D281-E284 WeakPolarHBondContact O-CA 3.44Å; D281-E284 PolarHBondContact O-N 2.92Å; D281-L285 PolarHBondContact O-N 3.33Å; D281-F464 HydrophobicContact CB-CE2 4.48Å; D281-F464 WeakPolarHBondContact OD2-CE2 3.18Å
282	V	47.4	Very low	46.1	Very low	32 Å²	32	73.1 Å²	73.1	19%	0.194	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-22	168.3	170.8	0	0	0	0	110.6	Y210 C286 Y469 Y518	Y210-V282 HydrophobicContact CG-CG2 4.47Å; V282-C286 PolarHBondContact O-SG 3.41Å; V282-Y469 HydrophobicContact CG2-CD1 4.35Å; V282-Y469 HydrophobicContact CG2-CE1 3.6Å; V282-Y518 HydrophobicContact CB-CD2 4.39Å; V282-Y518 HydrophobicContact CB-CE2 4.16Å; V282-Y518 HydrophobicContact CG1-CD2 4.03Å; V282-Y518 HydrophobicContact CG1-CE2 3.79Å; V282-Y518 HydrophobicContact CG2-CD2 4.15Å; V282-Y518 HydrophobicContact CG2-CE2 3.56Å
283	Q	40.5	Very low	45	Very low	69 Å²	69	74.8 Å²	74.8	32%	0.322	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-26.7	169	-61.6	-177.5	-4.6	0	0	115.1	D281 C286 R287	D281-Q283 CarbonylContact O-C 3.59Å; D281-Q283 PolarHBondContact O-N 2.8Å; D281-Q283 PolarHBondContact OD1-N 3.31Å; Q283-C286 VanDerWaalsContact O-CB 3.24Å; Q283-C286 WeakPolarHBondContact O-CB 3.3Å; Q283-C286 PolarHBondContact O-N 2.72Å; Q283-R287 PolarHBondContact O-N 2.84Å
284	E	45.9	Very low	43.6	Very low	85 Å²	85	75.7 Å²	75.7	40%	0.397	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.9	177	-77.4	-111.3	135.7	0	0	111.7	D281 C286 R287 V288	D281-E284 HydrophobicContact CB-CB 3.82Å; D281-E284 HydrophobicContact CB-CG 3.76Å; D281-E284 CarbonylContact O-C 3.47Å; D281-E284 WeakPolarHBondContact O-CA 3.44Å; D281-E284 PolarHBondContact O-N 2.92Å; E284-C286 PolarHBondContact O-N 3.22Å; E284-R287 CarbonylContact O-C 3.58Å; E284-R287 WeakPolarHBondContact O-CA 3.14Å; E284-R287 PolarHBondContact O-N 2.88Å; E284-V288 HydrophobicContact CB-CG2 4.33Å; E284-V288 WeakPolarHBondContact O-CB 3.39Å; E284-V288 VanDerWaalsContact O-CG2 3.25Å; E284-V288 WeakPolarHBondContact O-CG2 3.46Å; E284-V288 PolarHBondContact O-N 2.87Å
285	L	45	Very low	42.3	Very low	4 Å²	4	77.4 Å²	77.4	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-24.1	170.6	-158.9	72.8	0	0	0	112.3	Y210 W271 H280 D281 R287 W304	Y210-L285 HydrophobicContact CD2-CD2 4Å; Y210-L285 HydrophobicContact CE2-CD1 4.45Å; Y210-L285 HydrophobicContact CE2-CD2 3.27Å; Y210-L285 HydrophobicContact CE2-CG 4.34Å; W271-L285 HydrophobicContact CH2-CD1 3.5Å; W271-L285 VanDerWaalsContact CH2-CD1 3.5Å; W271-L285 HydrophobicContact CH2-CD2 3.82Å; W271-L285 HydrophobicContact CH2-CG 4.23Å; W271-L285 HydrophobicContact CZ2-CD1 3.09Å; W271-L285 HydrophobicContact CZ2-CD2 3.83Å; W271-L285 HydrophobicContact CZ2-CG 3.86Å; H280-L285 HydrophobicContact CB-CB 4.05Å; H280-L285 HydrophobicContact CB-CD1 3.77Å; D281-L285 PolarHBondContact O-N 3.33Å; L285-R287 VanDerWaalsContact C-N 3.31Å; L285-W304 HydrophobicContact CB-CB 4.29Å; L285-W304 HydrophobicContact CD2-CB 3.57Å; L285-W304 HydrophobicContact CD2-CD2 3.51Å; L285-W304 HydrophobicContact CD2-CE3 4.14Å; L285-W304 HydrophobicContact CD2-CG 3.19Å; L285-W304 HydrophobicContact CG-CB 3.92Å; L285-W304 HydrophobicContact CG-CG 3.77Å
286	C	36.3	Very low	41	Very low	22 Å²	22	81 Å²	81	15%	0.149	43%	0.429	C	S	.	.	H	α-helix	trans	-73.3	-19.3	170.2	-55.7	0	0	0	0	112.9	V282 Q283 E284 H302 S303 W304	V282-C286 PolarHBondContact O-SG 3.41Å; Q283-C286 VanDerWaalsContact O-CB 3.24Å; Q283-C286 WeakPolarHBondContact O-CB 3.3Å; Q283-C286 PolarHBondContact O-N 2.72Å; E284-C286 PolarHBondContact O-N 3.22Å; C286-H302 CarbonylContact C-O 3.52Å; C286-H302 WeakPolarHBondContact CA-O 3.22Å; C286-H302 WeakPolarHBondContact CB-O 3.47Å; C286-S303 WeakPolarHBondContact SG-CA 3.39Å; C286-W304 PolarHBondContact SG-N 3.43Å
287	R	34.2	Very low	39.7	Very low	179 Å²	179	87.7 Å²	87.7	68%	0.675	46%	0.463	S	S	*	.	H	α-helix	trans	-108.6	-36.8	178.3	-78.2	-171.6	82.5	111	-2.6	114.6	Q283 E284 L285 V289 S290	Q283-R287 PolarHBondContact O-N 2.84Å; E284-R287 CarbonylContact O-C 3.58Å; E284-R287 WeakPolarHBondContact O-CA 3.14Å; E284-R287 PolarHBondContact O-N 2.88Å; L285-R287 VanDerWaalsContact C-N 3.31Å; R287-V289 PolarHBondContact O-N 3.44Å; R287-S290 VanDerWaalsContact O-CB 3.26Å; R287-S290 WeakPolarHBondContact O-CB 3.3Å; R287-S290 PolarHBondContact O-N 2.92Å
288	V	37.4	Very low	38.6	Very low	54 Å²	54	89.1 Å²	89.1	33%	0.327	48%	0.476	S	S	.	.	H	α-helix	trans	-72.8	-30.4	-167.6	173.8	0	0	0	0	111.7	E284 S290 I291	E284-V288 HydrophobicContact CB-CG2 4.33Å; E284-V288 WeakPolarHBondContact O-CB 3.39Å; E284-V288 VanDerWaalsContact O-CG2 3.25Å; E284-V288 WeakPolarHBondContact O-CG2 3.46Å; E284-V288 PolarHBondContact O-N 2.87Å; V288-S290 PolarHBondContact O-N 2.91Å; V288-I291 PolarHBondContact O-N 2.88Å
289	V	39.4	Very low	37.6	Very low	24 Å²	24	90.7 Å²	90.7	15%	0.145	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.6	172.3	-169.2	0	0	0	0	112.3	R287 Q307	R287-V289 PolarHBondContact O-N 3.44Å; V289-Q307 VanDerWaalsContact CB-OE1 3.26Å
290	S	32.9	Very low	36.8	Very low	81 Å²	81	92.8 Å²	92.8	57%	0.566	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.1	174.7	-107.7	0	0	0	0	114.2	R287 V288	R287-S290 VanDerWaalsContact O-CB 3.26Å; R287-S290 WeakPolarHBondContact O-CB 3.3Å; R287-S290 PolarHBondContact O-N 2.92Å; V288-S290 PolarHBondContact O-N 2.91Å
291	I	37.3	Very low	36.1	Very low	144 Å²	144	99.1 Å²	99.1	74%	0.738	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.9	-173.9	-69.1	172.7	0	0	0	113	V288	V288-I291 PolarHBondContact O-N 2.88Å
292	S	42.1	Very low	36.1	Very low	113 Å²	113	102.1 Å²	102.1	79%	0.79	55%	0.55	S	S	*	*	S	Bend	trans	-101.9	5.9	-178.7	-158.2	0	0	0	0	115.4
293	I	38.7	Very low	36.4	Very low	122 Å²	122	101.1 Å²	101.1	63%	0.626	55%	0.545	S	S	*	.	S	Bend	trans	-133.8	95.7	177.9	-48.2	-179.4	0	0	0	110
294	C	29.7	Very low	37.3	Very low	118 Å²	118	98.2 Å²	98.2	80%	0.797	53%	0.531	S	S	*	.	S	Bend	trans	17	99.8	159.9	-70.4	0	0	0	0	118.7
295	F	29.6	Very low	38.2	Very low	183 Å²	183	94.3 Å²	94.3	80%	0.803	51%	0.513	S	S	*	.				155.8	112.5	124.8	-106.3	-96.6	0	0	0	108.8	L297	F295-L297 PolarHBondContact O-N 2.82Å
296	P	31.1	Very low	39.2	Very low	123 Å²	123	96.2 Å²	96.2	80%	0.799	52%	0.521	S	S	*	.			trans	-86.7	90.4	175	32.8	-26	0	0	0	108
297	L	27.3	Very low	40.7	Very low	148 Å²	148	98.3 Å²	98.3	78%	0.775	53%	0.528	S	S	*	.			trans	-172.4	129.3	162.9	-99.1	145.3	0	0	0	109	F295	F295-L297 PolarHBondContact O-N 2.82Å
298	L	26.5	Very low	42.6	Very low	167 Å²	167	89.8 Å²	89.8	87%	0.874	50%	0.496	S	S	*	.			trans	88.9	99.8	-177.8	-63.8	116.6	0	0	0	115.7
299	S	26	Very low	44.5	Very low	112 Å²	112	87.2 Å²	87.2	78%	0.783	48%	0.481	S	S	*	.			trans	-27.5	132.9	148.9	-54.9	0	0	0	0	112.5
300	L	29.8	Very low	46.4	Very low	141 Å²	141	89.4 Å²	89.4	74%	0.738	49%	0.491	S	S	*	.			trans	176.8	136.5	139.4	-91.1	154.1	0	0	0	110.3	H302	L300-H302 PolarHBondContact O-N 2.76Å
301	H	36	Very low	48.5	Very low	139 Å²	139	88.5 Å²	88.5	64%	0.644	48%	0.481	S	S	*	.			trans	-54.3	108.9	177.3	-69.4	-173.4	0	0	0	112.1	Q356	H301-Q356 PolarHBondContact ND1-OE1 3.48Å
302	H	44.9	Very low	50.5	Low	84 Å²	84	81.7 Å²	81.7	39%	0.389	45%	0.445	S	S	.	.			trans	-113.6	105.9	177.2	-101.2	-109.5	0	0	0	112.7	C286 L300 F306	C286-H302 CarbonylContact C-O 3.52Å; C286-H302 WeakPolarHBondContact CA-O 3.22Å; C286-H302 WeakPolarHBondContact CB-O 3.47Å; L300-H302 PolarHBondContact O-N 2.76Å; H302-F306 AromaticContact CE1-CD1 3.22Å; H302-F306 WeakPolarHBondContact CE1-CD1 3.31Å; H302-F306 AromaticContact CE1-CE1 3.11Å; H302-F306 WeakPolarHBondContact CE1-CE1 3.4Å; H302-F306 AromaticContact CE1-CG 3.94Å; H302-F306 AromaticContact CE1-CZ 3.71Å; H302-F306 AromaticContact ND1-CD1 3.09Å; H302-F306 WeakPolarHBondContact ND1-CD1 3.48Å; H302-F306 AromaticContact ND1-CE1 3.5Å; H302-F306 WeakPolarHBondContact ND1-CE1 3.45Å; H302-F306 AromaticContact ND1-CG 3.79Å
303	S	53.3	Low	52.4	Low	11 Å²	11	78 Å²	78	8%	0.077	42%	0.416	C	S	.	.			trans	-61	142.4	178.1	-174.6	0	0	0	0	112.4	C286 L305 F306 Q307 D354 Q410	C286-S303 WeakPolarHBondContact SG-CA 3.39Å; S303-L305 PolarHBondContact O-N 2.78Å; S303-L305 VanDerWaalsContact O-N 3.16Å; S303-F306 WeakPolarHBondContact O-CA 3.39Å; S303-F306 WeakPolarHBondContact O-CB 3.49Å; S303-F306 PolarHBondContact O-N 2.99Å; S303-Q307 PolarHBondContact O-N 3.29Å; S303-Q307 VanDerWaalsContact O-N 3.12Å; S303-D354 VanDerWaalsContact CB-OD2 3.29Å; S303-D354 WeakPolarHBondContact CB-OD2 3.45Å; S303-Q410 PolarHBondContact OG-NE2 3.19Å; S303-Q410 VanDerWaalsContact OG-NE2 3.17Å
304	W	59.7	Low	54.3	Low	9 Å²	9	75.5 Å²	75.5	3%	0.034	41%	0.409	C	S	.	.	H	α-helix	trans	-55.2	-33	171.8	-178.5	74.9	0	0	0	111.5	M211 L214 F269 W271 L285 C286 F306 Q307 L308	M211-W304 HydrophobicContact CB-CH2 4.46Å; M211-W304 HydrophobicContact CG-CH2 3.43Å; M211-W304 VanDerWaalsContact CG-CH2 3.43Å; M211-W304 HydrophobicContact CG-CZ2 3.96Å; M211-W304 HydrophobicContact CG-CZ3 3.95Å; M211-W304 HydrophobicContact SD-CH2 4.31Å; M211-W304 HydrophobicContact SD-CZ2 4.35Å; L214-W304 HydrophobicContact CB-CZ3 4.12Å; L214-W304 HydrophobicContact CD2-CE3 3.32Å; L214-W304 HydrophobicContact CD2-CZ3 3.38Å; L214-W304 HydrophobicContact CG-CE3 4.5Å; L214-W304 HydrophobicContact CG-CZ3 4.16Å; F269-W304 HydrophobicContact CD2-CZ2 4.44Å; F269-W304 AromaticContact CE2-CZ2 3.87Å; F269-W304 HydrophobicContact CE2-CZ2 3.87Å; F269-W304 HydrophobicContact CZ-CZ2 4.18Å; W271-W304 AromaticContact CZ2-NE1 3.84Å; L285-W304 HydrophobicContact CB-CB 4.29Å; L285-W304 HydrophobicContact CD2-CB 3.57Å; L285-W304 HydrophobicContact CD2-CD2 3.51Å; L285-W304 HydrophobicContact CD2-CE3 4.14Å; L285-W304 HydrophobicContact CD2-CG 3.19Å; L285-W304 HydrophobicContact CG-CB 3.92Å; L285-W304 HydrophobicContact CG-CG 3.77Å; C286-W304 PolarHBondContact SG-N 3.43Å; W304-F306 VanDerWaalsContact C-N 3.34Å; W304-F306 PolarHBondContact O-N 3.43Å; W304-Q307 PolarHBondContact O-N 3.45Å; W304-L308 HydrophobicContact CH2-CD2 4.15Å; W304-L308 HydrophobicContact CZ3-CD2 4.34Å; W304-L308 WeakPolarHBondContact O-CB 3.27Å; W304-L308 PolarHBondContact O-N 3.45Å
305	L	65.5	Low	56.5	Low	3 Å²	3	74.4 Å²	74.4	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-56.4	-47.8	170.9	176.8	61.2	0	0	0	111.5	L214 L218 S303 Q307 L308 L309 H408 M519	L214-L305 HydrophobicContact CD1-CD1 4.29Å; L214-L305 HydrophobicContact CD2-CB 4.1Å; L214-L305 HydrophobicContact CD2-CD1 4.08Å; L218-L305 HydrophobicContact CD1-CD1 4.3Å; L218-L305 HydrophobicContact CD2-CD1 3.83Å; S303-L305 PolarHBondContact O-N 2.78Å; S303-L305 VanDerWaalsContact O-N 3.16Å; L305-Q307 PolarHBondContact O-N 2.95Å; L305-L308 PolarHBondContact O-N 3.5Å; L305-L309 HydrophobicContact CD1-CD1 3.75Å; L305-L309 HydrophobicContact CD1-CG 3.95Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.4Å; L305-L309 WeakPolarHBondContact O-CB 3.19Å; L305-L309 VanDerWaalsContact O-CG 3.22Å; L305-L309 WeakPolarHBondContact O-CG 3.18Å; L305-L309 PolarHBondContact O-N 2.66Å; L305-H408 HydrophobicContact CD2-CB 4.37Å; L305-H408 VanDerWaalsContact CD2-CD2 3.41Å; L305-H408 WeakPolarHBondContact CD2-CD2 3.38Å; L305-M519 HydrophobicContact CD2-CE 3.97Å
306	F	66.3	Low	58.7	Low	44 Å²	44	65.8 Å²	65.8	19%	0.193	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-45.9	178.3	-175.8	-78.8	0	0	0	110.5	H302 S303 W304 L308 L309 D310 Y353	H302-F306 AromaticContact CE1-CD1 3.22Å; H302-F306 WeakPolarHBondContact CE1-CD1 3.31Å; H302-F306 AromaticContact CE1-CE1 3.11Å; H302-F306 WeakPolarHBondContact CE1-CE1 3.4Å; H302-F306 AromaticContact CE1-CG 3.94Å; H302-F306 AromaticContact CE1-CZ 3.71Å; H302-F306 AromaticContact ND1-CD1 3.09Å; H302-F306 WeakPolarHBondContact ND1-CD1 3.48Å; H302-F306 AromaticContact ND1-CE1 3.5Å; H302-F306 WeakPolarHBondContact ND1-CE1 3.45Å; H302-F306 AromaticContact ND1-CG 3.79Å; S303-F306 WeakPolarHBondContact O-CA 3.39Å; S303-F306 WeakPolarHBondContact O-CB 3.49Å; S303-F306 PolarHBondContact O-N 2.99Å; W304-F306 VanDerWaalsContact C-N 3.34Å; W304-F306 PolarHBondContact O-N 3.43Å; F306-L308 PolarHBondContact O-N 3.29Å; F306-L309 PolarHBondContact O-N 3.33Å; F306-D310 HydrophobicContact CD1-CB 4.03Å; F306-D310 HydrophobicContact CE1-CB 3.69Å; F306-D310 HydrophobicContact CZ-CB 4.41Å; F306-D310 WeakPolarHBondContact O-CB 3.39Å; F306-D310 PolarHBondContact O-N 3.31Å; F306-Y353 AromaticContact CD2-CD2 3.71Å; F306-Y353 HydrophobicContact CD2-CD2 3.71Å; F306-Y353 HydrophobicContact CD2-CE2 4.2Å; F306-Y353 AromaticContact CD2-CG 3.95Å; F306-Y353 HydrophobicContact CD2-CG 3.95Å; F306-Y353 AromaticContact CE2-CD2 3.49Å; F306-Y353 HydrophobicContact CE2-CD2 3.49Å; F306-Y353 VanDerWaalsContact CE2-CD2 3.49Å; F306-Y353 AromaticContact CE2-CE2 3.55Å; F306-Y353 HydrophobicContact CE2-CE2 3.55Å; F306-Y353 HydrophobicContact CE2-CG 4.15Å; F306-Y353 HydrophobicContact CZ-CE2 4.49Å
307	Q	67	Low	60.8	Low	65 Å²	65	66.3 Å²	66.3	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-37.8	-178.1	-169.2	163.8	29.2	0	0	113.1	V289 S303 W304 L305 N311	V289-Q307 VanDerWaalsContact CB-OE1 3.26Å; S303-Q307 PolarHBondContact O-N 3.29Å; S303-Q307 VanDerWaalsContact O-N 3.12Å; W304-Q307 PolarHBondContact O-N 3.45Å; L305-Q307 PolarHBondContact O-N 2.95Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.19Å; Q307-N311 PolarHBondContact O-N 3.25Å
308	L	74	Confident	62.7	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-49	172	170.8	65.9	0	0	0	110.6	L218 V242 M246 F269 W304 L305 F306 N311 L312	L218-L308 HydrophobicContact CD1-CD2 3.45Å; L218-L308 VanDerWaalsContact CD1-CD2 3.45Å; V242-L308 HydrophobicContact CG1-CD1 3.99Å; M246-L308 HydrophobicContact CE-CD2 4.37Å; M246-L308 HydrophobicContact SD-CD1 3.95Å; F269-L308 HydrophobicContact CZ-CD1 3.68Å; W304-L308 HydrophobicContact CH2-CD2 4.15Å; W304-L308 HydrophobicContact CZ3-CD2 4.34Å; W304-L308 WeakPolarHBondContact O-CB 3.27Å; W304-L308 PolarHBondContact O-N 3.45Å; L305-L308 PolarHBondContact O-N 3.5Å; F306-L308 PolarHBondContact O-N 3.29Å; L308-N311 PolarHBondContact O-N 2.82Å; L308-L312 HydrophobicContact CD1-CD1 4.25Å; L308-L312 HydrophobicContact CD1-CG 4.49Å; L308-L312 HydrophobicContact CG-CD1 4.31Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.92Å; L308-L312 VanDerWaalsContact O-N 3.11Å
309	L	77.7	Confident	65	Low	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-39.1	179.7	-71	-179.7	0	0	0	112.1	L224 L305 F306 L312 E313 I325 F329 Y353	L224-L309 HydrophobicContact CD1-CD2 4.47Å; L224-L309 HydrophobicContact CD2-CD2 4.38Å; L305-L309 HydrophobicContact CD1-CD1 3.75Å; L305-L309 HydrophobicContact CD1-CG 3.95Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.4Å; L305-L309 WeakPolarHBondContact O-CB 3.19Å; L305-L309 VanDerWaalsContact O-CG 3.22Å; L305-L309 WeakPolarHBondContact O-CG 3.18Å; L305-L309 PolarHBondContact O-N 2.66Å; F306-L309 PolarHBondContact O-N 3.33Å; L309-L312 PolarHBondContact O-N 3.12Å; L309-E313 VanDerWaalsContact O-CB 3.28Å; L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 PolarHBondContact O-N 2.72Å; L309-I325 HydrophobicContact CB-CG2 3.96Å; L309-I325 HydrophobicContact CD1-CG2 4.49Å; L309-I325 HydrophobicContact CD2-CD1 4.29Å; L309-I325 HydrophobicContact CD2-CG2 4.17Å; L309-I325 HydrophobicContact CG-CG2 4.43Å; L309-I325 VanDerWaalsContact O-CD1 3.27Å; L309-I325 WeakPolarHBondContact O-CD1 3.2Å; L309-F329 HydrophobicContact CD1-CB 4.46Å; L309-F329 HydrophobicContact CD1-CD2 3.92Å; L309-F329 HydrophobicContact CD1-CE2 4.3Å; L309-F329 HydrophobicContact CD1-CG 4.08Å; L309-F329 HydrophobicContact CD2-CD2 4.32Å; L309-F329 HydrophobicContact CD2-CE2 4.06Å; L309-Y353 HydrophobicContact CD1-CD1 4.37Å
310	D	78	Confident	67.2	Low	69 Å²	69	57.4 Å²	57.4	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-38.5	177.8	-175.9	52.3	0	0	0	111.7	F306 L312 E313 S314	F306-D310 HydrophobicContact CD1-CB 4.03Å; F306-D310 HydrophobicContact CE1-CB 3.69Å; F306-D310 HydrophobicContact CZ-CB 4.41Å; F306-D310 WeakPolarHBondContact O-CB 3.39Å; F306-D310 PolarHBondContact O-N 3.31Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 2.92Å; D310-E313 PolarHBondContact O-N 3.48Å; D310-S314 WeakPolarHBondContact O-CB 3.43Å; D310-S314 PolarHBondContact O-N 2.73Å
311	N	78.5	Confident	69.3	Low	63 Å²	63	51.3 Å²	51.3	34%	0.337	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-44.1	173.3	-170.6	-84.9	0	0	0	111.6	V242 Q307 L308 K315	V242-N311 WeakPolarHBondContact CB-OD1 3.39Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.19Å; Q307-N311 PolarHBondContact O-N 3.25Å; L308-N311 PolarHBondContact O-N 2.82Å; N311-K315 PolarHBondContact O-N 3.31Å
312	L	79.1	Confident	71.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-44.1	174.4	-64.5	167.8	0	0	0	111.1	V228 I231 A243 M246 L308 L309 D310 S314 K315 M316 I325	V228-L312 HydrophobicContact CG2-CD1 4.42Å; I231-L312 HydrophobicContact CD1-CB 4.49Å; I231-L312 HydrophobicContact CD1-CD2 3.98Å; A243-L312 HydrophobicContact CB-CD2 4.09Å; M246-L312 HydrophobicContact CE-CD1 3.86Å; M246-L312 HydrophobicContact SD-CD1 3.33Å; M246-L312 WeakPolarHBondContact SD-CD1 3.17Å; M246-L312 HydrophobicContact SD-CD2 3.78Å; M246-L312 HydrophobicContact SD-CG 4.08Å; L308-L312 HydrophobicContact CD1-CD1 4.25Å; L308-L312 HydrophobicContact CD1-CG 4.49Å; L308-L312 HydrophobicContact CG-CD1 4.31Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 2.92Å; L308-L312 VanDerWaalsContact O-N 3.11Å; L309-L312 PolarHBondContact O-N 3.12Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 2.92Å; L312-S314 VanDerWaalsContact C-N 3.34Å; L312-S314 PolarHBondContact O-N 2.93Å; L312-K315 PolarHBondContact O-N 2.94Å; L312-K315 VanDerWaalsContact O-N 3.13Å; L312-M316 WeakPolarHBondContact O-CG 3.45Å; L312-M316 PolarHBondContact O-N 2.87Å; L312-I325 HydrophobicContact CB-CD1 3.44Å; L312-I325 VanDerWaalsContact CB-CD1 3.44Å; L312-I325 HydrophobicContact CD1-CD1 4.24Å
313	E	80.7	Confident	72.7	Confident	37 Å²	37	45.6 Å²	45.6	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-44.8	179.3	-173.5	178.5	153.2	0	0	110.8	L309 D310 K315 M316 K317 I325 P326 Y353	L309-E313 VanDerWaalsContact O-CB 3.28Å; L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 PolarHBondContact O-N 2.72Å; D310-E313 PolarHBondContact O-N 3.48Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.95Å; E313-M316 WeakPolarHBondContact O-CA 3.38Å; E313-M316 WeakPolarHBondContact O-CB 3.34Å; E313-M316 PolarHBondContact O-N 2.8Å; E313-K317 PolarHBondContact O-N 3.34Å; E313-K317 VanDerWaalsContact O-N 3.11Å; E313-I325 HydrophobicContact CB-CD1 4.26Å; E313-P326 HydrophobicContact CG-CG 4.48Å; E313-P326 WeakPolarHBondContact OE2-CD 3.46Å; E313-P326 WeakPolarHBondContact OE2-CG 3.13Å; E313-Y353 PolarHBondContact OE2-OH 3.4Å
314	S	79.4	Confident	74.1	Confident	69 Å²	69	45.4 Å²	45.4	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-34.8	176.1	-172.7	0	0	0	0	112.5	D310 L312	D310-S314 WeakPolarHBondContact O-CB 3.43Å; D310-S314 PolarHBondContact O-N 2.73Å; L312-S314 VanDerWaalsContact C-N 3.34Å; L312-S314 PolarHBondContact O-N 2.93Å
315	K	75.8	Confident	75.3	Confident	95 Å²	95	45 Å²	45	41%	0.413	28%	0.276	S	S	.	.	H	α-helix	trans	-75.6	-23.9	174.2	-78.4	-76.1	-174.1	162.8	0	113.1	I231 D236 A243 N311 L312 E313	I231-K315 HydrophobicContact CG2-CB 4.28Å; D236-K315 VanDerWaalsContact CG-NZ 3.34Å; D236-K315 IonicContact OD1-NZ 3.43Å; D236-K315 PolarHBondContact OD1-NZ 3.48Å; D236-K315 IonicContact OD2-NZ 2.64Å; D236-K315 PolarHBondContact OD2-NZ 3.08Å; A243-K315 HydrophobicContact CB-CG 4.47Å; N311-K315 PolarHBondContact O-N 3.31Å; L312-K315 PolarHBondContact O-N 2.94Å; L312-K315 VanDerWaalsContact O-N 3.13Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.95Å
316	M	74.9	Confident	76.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-82.9	-16.3	177.3	-69.5	164.2	58.1	0	0	113.2	V227 I231 L312 E313 G318 S319 V321 S322 I325	V227-M316 HydrophobicContact CG1-CE 3.19Å; V227-M316 HydrophobicContact CG1-SD 3.75Å; I231-M316 HydrophobicContact CD1-CG 3.81Å; I231-M316 HydrophobicContact CD1-SD 4Å; I231-M316 HydrophobicContact CG1-CG 3.74Å; I231-M316 HydrophobicContact CG1-SD 4.32Å; L312-M316 WeakPolarHBondContact O-CG 3.45Å; L312-M316 PolarHBondContact O-N 2.87Å; E313-M316 WeakPolarHBondContact O-CA 3.38Å; E313-M316 WeakPolarHBondContact O-CB 3.34Å; E313-M316 PolarHBondContact O-N 2.8Å; M316-G318 PolarHBondContact O-N 3.28Å; M316-G318 VanDerWaalsContact O-N 3.16Å; M316-S319 WeakPolarHBondContact O-CB 3.29Å; M316-S319 PolarHBondContact O-N 3.02Å; M316-S319 PolarHBondContact O-OG 2.9Å; M316-V321 HydrophobicContact CB-CG2 4.43Å; M316-V321 HydrophobicContact CE-CB 4.06Å; M316-V321 HydrophobicContact CE-CG2 3.92Å; M316-V321 WeakPolarHBondContact CE-O 3.38Å; M316-V321 HydrophobicContact CG-CG2 4.05Å; M316-S322 WeakPolarHBondContact O-CB 3.34Å; M316-I325 HydrophobicContact CE-CG1 4.24Å; M316-I325 HydrophobicContact SD-CD1 3.66Å; M316-I325 HydrophobicContact SD-CG1 3.94Å
317	K	75.7	Confident	77.3	Confident	134 Å²	134	50.9 Å²	50.9	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	119.5	176.8	-72.1	179	-176	172.8	0	109.9	E313	E313-K317 PolarHBondContact O-N 3.34Å; E313-K317 VanDerWaalsContact O-N 3.11Å
318	G	68.4	Low	78.3	Confident	84 Å²	84	48.3 Å²	48.3	87%	0.866	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-0.7	-178.3	0	0	0	0	0	115.7	M316	M316-G318 PolarHBondContact O-N 3.28Å; M316-G318 VanDerWaalsContact O-N 3.16Å
319	S	73.3	Confident	79.1	Confident	30 Å²	30	48.2 Å²	48.2	21%	0.21	29%	0.293	C	S	.	.	S	Bend	trans	-95.5	169	173.9	72.9	0	0	0	0	112.5	M316 V321 S322	M316-S319 WeakPolarHBondContact O-CB 3.29Å; M316-S319 PolarHBondContact O-N 3.02Å; M316-S319 PolarHBondContact O-OG 2.9Å; S319-V321 PolarHBondContact O-N 3.44Å; S319-V321 VanDerWaalsContact O-N 3.15Å; S319-V321 WeakPolarHBondContact OG-CG2 3.25Å; S319-V321 PolarHBondContact OG-N 3.48Å; S319-S322 VanDerWaalsContact O-CB 3.26Å; S319-S322 WeakPolarHBondContact O-CB 3.48Å; S319-S322 PolarHBondContact O-N 3.2Å; S319-S322 VanDerWaalsContact O-N 3.1Å
320	C	72.3	Confident	79.6	Confident	126 Å²	126	50.7 Å²	50.7	85%	0.851	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	174.7	59.9	0	0	0	0	114
321	V	75.1	Confident	80.3	Confident	13 Å²	13	47.4 Å²	47.4	8%	0.079	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8.4	177.4	-66	0	0	0	0	113.1	V227 Q230 M316 S319 G323 G324	V227-V321 HydrophobicContact CG1-CB 4.28Å; Q230-V321 HydrophobicContact CB-CG1 3.66Å; Q230-V321 HydrophobicContact CB-CG2 4.44Å; Q230-V321 HydrophobicContact CG-CG1 4.38Å; M316-V321 HydrophobicContact CB-CG2 4.43Å; M316-V321 HydrophobicContact CE-CB 4.06Å; M316-V321 HydrophobicContact CE-CG2 3.92Å; M316-V321 WeakPolarHBondContact CE-O 3.38Å; M316-V321 HydrophobicContact CG-CG2 4.05Å; S319-V321 PolarHBondContact O-N 3.44Å; S319-V321 VanDerWaalsContact O-N 3.15Å; S319-V321 WeakPolarHBondContact OG-CG2 3.25Å; S319-V321 PolarHBondContact OG-N 3.48Å; V321-G323 PolarHBondContact O-N 3.33Å; V321-G323 VanDerWaalsContact O-N 3.12Å; V321-G324 PolarHBondContact O-N 3.23Å
322	S	73.5	Confident	81	Confident	73 Å²	73	48.7 Å²	48.7	51%	0.51	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	119.3	176	-173.9	0	0	0	0	110.4	M316 S319	M316-S322 WeakPolarHBondContact O-CB 3.34Å; S319-S322 VanDerWaalsContact O-CB 3.26Å; S319-S322 WeakPolarHBondContact O-CB 3.48Å; S319-S322 PolarHBondContact O-N 3.2Å; S319-S322 VanDerWaalsContact O-N 3.1Å
323	G	78.9	Confident	81.7	Confident	30 Å²	30	49.5 Å²	49.5	31%	0.309	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-2.7	-176.3	0	0	0	0	0	115.8	V321 I325 P326 Q327	V321-G323 PolarHBondContact O-N 3.33Å; V321-G323 VanDerWaalsContact O-N 3.12Å; G323-I325 VanDerWaalsContact C-N 3.25Å; G323-I325 PolarHBondContact O-N 3.38Å; G323-P326 WeakPolarHBondContact O-CD 3.5Å; G323-Q327 VanDerWaalsContact O-CB 3.28Å; G323-Q327 WeakPolarHBondContact O-CB 3.28Å; G323-Q327 PolarHBondContact O-N 2.85Å
324	G	82.1	Confident	82.3	Confident	8 Å²	8	49.7 Å²	49.7	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-30.7	179.1	0	0	0	0	0	114.2	V321 L328	V321-G324 PolarHBondContact O-N 3.23Å; G324-L328 WeakPolarHBondContact O-CD1 3.4Å; G324-L328 VanDerWaalsContact O-CG 3.28Å; G324-L328 WeakPolarHBondContact O-CG 3.39Å
325	I	84.4	Confident	82.9	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-76.3	-55.5	176.7	-71.2	175.9	0	0	0	111.3	L224 L309 L312 E313 M316 G323 Q327 L328 F329 Y353	L224-I325 HydrophobicContact CD1-CG1 4.11Å; L309-I325 HydrophobicContact CB-CG2 3.96Å; L309-I325 HydrophobicContact CD1-CG2 4.49Å; L309-I325 HydrophobicContact CD2-CD1 4.29Å; L309-I325 HydrophobicContact CD2-CG2 4.17Å; L309-I325 HydrophobicContact CG-CG2 4.43Å; L309-I325 VanDerWaalsContact O-CD1 3.27Å; L309-I325 WeakPolarHBondContact O-CD1 3.2Å; L312-I325 HydrophobicContact CB-CD1 3.44Å; L312-I325 VanDerWaalsContact CB-CD1 3.44Å; L312-I325 HydrophobicContact CD1-CD1 4.24Å; E313-I325 HydrophobicContact CB-CD1 4.26Å; M316-I325 HydrophobicContact CE-CG1 4.24Å; M316-I325 HydrophobicContact SD-CD1 3.66Å; M316-I325 HydrophobicContact SD-CG1 3.94Å; G323-I325 VanDerWaalsContact C-N 3.25Å; G323-I325 PolarHBondContact O-N 3.38Å; I325-Q327 PolarHBondContact O-N 2.82Å; I325-L328 PolarHBondContact O-N 2.6Å; I325-F329 HydrophobicContact CG2-CD2 4.25Å; I325-F329 PolarHBondContact O-N 3.39Å; I325-Y353 HydrophobicContact CG2-CE1 4.14Å
326	P	86.7	Confident	83.8	Confident	21 Å²	21	44.2 Å²	44.2	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-52.4	-40.7	173.2	-30.6	34.6	0	0	0	113.3	E313 G323 L328 F329 E330	E313-P326 HydrophobicContact CG-CG 4.48Å; E313-P326 WeakPolarHBondContact OE2-CD 3.46Å; E313-P326 WeakPolarHBondContact OE2-CG 3.13Å; G323-P326 WeakPolarHBondContact O-CD 3.5Å; P326-L328 PolarHBondContact O-N 3.02Å; P326-L328 VanDerWaalsContact O-N 3.14Å; P326-F329 PolarHBondContact O-N 2.89Å; P326-E330 HydrophobicContact CB-CB 4.16Å; P326-E330 WeakPolarHBondContact O-CA 3.26Å; P326-E330 WeakPolarHBondContact O-CB 3.24Å; P326-E330 PolarHBondContact O-N 2.86Å
327	Q	87.9	Confident	84.6	Confident	150 Å²	150	45.7 Å²	45.7	70%	0.701	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-27.7	178.6	-169.8	179.2	23.3	0	0	113.6	G323 I325 P405	G323-Q327 VanDerWaalsContact O-CB 3.28Å; G323-Q327 WeakPolarHBondContact O-CB 3.28Å; G323-Q327 PolarHBondContact O-N 2.85Å; I325-Q327 PolarHBondContact O-N 2.82Å; Q327-P405 WeakPolarHBondContact O-CD 3.38Å; Q327-P405 WeakPolarHBondContact O-CG 3.31Å
328	L	88.8	Confident	85.5	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-93.3	-38.8	-177.8	-70	173.6	0	0	0	113.4	K223 L224 G324 I325 P326 P405 V406	K223-L328 HydrophobicContact CB-CD1 3.95Å; K223-L328 HydrophobicContact CB-CD2 3.76Å; K223-L328 HydrophobicContact CD-CD2 3.66Å; K223-L328 HydrophobicContact CG-CD2 4.37Å; L224-L328 HydrophobicContact CB-CD1 4.04Å; G324-L328 WeakPolarHBondContact O-CD1 3.4Å; G324-L328 VanDerWaalsContact O-CG 3.28Å; G324-L328 WeakPolarHBondContact O-CG 3.39Å; I325-L328 PolarHBondContact O-N 2.6Å; P326-L328 PolarHBondContact O-N 3.02Å; P326-L328 VanDerWaalsContact O-N 3.14Å; L328-P405 WeakPolarHBondContact O-CD 3.12Å; L328-V406 PolarHBondContact O-N 3.03Å
329	F	89.9	Confident	86.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-117.9	-16.8	-167.6	-59.5	-75.3	0	0	0	114.4	L218 T221 L224 L309 I325 P326 G331 Y353 P404 V406 H408	L218-F329 HydrophobicContact CD2-CZ 4.48Å; T221-F329 HydrophobicContact CG2-CZ 4.13Å; L224-F329 HydrophobicContact CB-CE2 4.45Å; L224-F329 HydrophobicContact CB-CZ 4.48Å; L224-F329 HydrophobicContact CD1-CE2 4.18Å; L224-F329 HydrophobicContact CD2-CE2 4.01Å; L224-F329 HydrophobicContact CD2-CZ 3.91Å; L224-F329 HydrophobicContact CG-CE2 4.44Å; L309-F329 HydrophobicContact CD1-CB 4.46Å; L309-F329 HydrophobicContact CD1-CD2 3.92Å; L309-F329 HydrophobicContact CD1-CE2 4.3Å; L309-F329 HydrophobicContact CD1-CG 4.08Å; L309-F329 HydrophobicContact CD2-CD2 4.32Å; L309-F329 HydrophobicContact CD2-CE2 4.06Å; I325-F329 HydrophobicContact CG2-CD2 4.25Å; I325-F329 PolarHBondContact O-N 3.39Å; P326-F329 PolarHBondContact O-N 2.89Å; F329-G331 PolarHBondContact O-N 2.75Å; F329-Y353 HydrophobicContact CB-CD1 3.76Å; F329-Y353 HydrophobicContact CB-CE1 4.45Å; F329-P404 VanDerWaalsContact C-CB 3.42Å; F329-P404 VanDerWaalsContact O-CB 3.27Å; F329-P404 WeakPolarHBondContact O-CB 3.38Å; F329-V406 HydrophobicContact CD1-CB 3.84Å; F329-V406 HydrophobicContact CD1-CG1 4.04Å; F329-V406 HydrophobicContact CE1-CB 3.68Å; F329-V406 HydrophobicContact CE1-CG1 3.56Å; F329-V406 HydrophobicContact CE1-CG2 4.32Å; F329-H408 AromaticContact CD1-CD2 3.71Å; F329-H408 AromaticContact CD1-NE2 3.6Å; F329-H408 AromaticContact CE1-CD2 3.85Å; F329-H408 AromaticContact CE1-NE2 3.21Å; F329-H408 WeakPolarHBondContact CE1-NE2 3.49Å
330	E	88.9	Confident	87.5	Confident	52 Å²	52	43.7 Å²	43.7	24%	0.243	24%	0.239	C	C	.	.			trans	-76.6	115.1	-178.2	-168.8	-169.7	108.3	0	0	111.4	P326 A351 F352	P326-E330 HydrophobicContact CB-CB 4.16Å; P326-E330 WeakPolarHBondContact O-CA 3.26Å; P326-E330 WeakPolarHBondContact O-CB 3.24Å; P326-E330 PolarHBondContact O-N 2.86Å; E330-A351 HydrophobicContact CG-CB 3.93Å; E330-F352 WeakPolarHBondContact CA-O 3.33Å
331	G	91.7	Very high	88.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	166.9	160.4	0	0	0	0	0	111.6	F329 A351 F352 K402	F329-G331 PolarHBondContact O-N 2.75Å; G331-A351 WeakPolarHBondContact O-CA 3.49Å; G331-F352 VanDerWaalsContact C-CD1 3.44Å; G331-F352 PolarHBondContact N-O 2.77Å; G331-F352 PolarHBondContact O-N 2.86Å; G331-K402 CarbonylContact C-O 3.5Å; G331-K402 VanDerWaalsContact CA-O 3.3Å; G331-K402 WeakPolarHBondContact CA-O 3.41Å
332	K	93.5	Very high	89.1	Confident	90 Å²	90	43.7 Å²	43.7	39%	0.391	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.4	174.8	-65	-170.1	174.9	-170	0	110.5	L401 K402	K332-L401 HydrophobicContact CB-CB 4.09Å; K332-L401 HydrophobicContact CB-CD1 4.46Å; K332-L401 WeakPolarHBondContact O-CB 3.19Å; K332-L401 PolarHBondContact O-N 3.38Å; K332-K402 HydrophobicContact CB-CB 4.26Å; K332-K402 PolarHBondContact N-O 3.04Å; K332-K402 PolarHBondContact O-N 3.09Å
333	M	93.8	Very high	89.9	Confident	17 Å²	17	46 Å²	46	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.6	172.4	68.9	173.1	106.4	0	0	110.7	E349 E350 F352 V398 K399 F400	M333-E349 WeakPolarHBondContact O-CA 3.06Å; M333-E350 HydrophobicContact CG-CB 4.39Å; M333-E350 PolarHBondContact N-O 2.9Å; M333-E350 PolarHBondContact O-N 3.49Å; M333-F352 HydrophobicContact CB-CD1 4.06Å; M333-F352 HydrophobicContact CB-CE1 4.18Å; M333-F352 HydrophobicContact CE-CB 3.37Å; M333-F352 HydrophobicContact CE-CD1 3.6Å; M333-F352 HydrophobicContact CE-CG 3.63Å; M333-F352 HydrophobicContact CG-CD1 4.09Å; M333-V398 HydrophobicContact CB-CG1 4.16Å; M333-V398 HydrophobicContact CG-CG1 4.35Å; M333-V398 HydrophobicContact SD-CG1 3.74Å; M333-K399 CarbonylContact C-O 3.48Å; M333-K399 VanDerWaalsContact CA-O 3.31Å; M333-K399 WeakPolarHBondContact CA-O 3.45Å; M333-F400 HydrophobicContact CB-CD1 4.23Å
334	K	93.4	Very high	90.4	Very high	40 Å²	40	47.6 Å²	47.6	17%	0.174	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.5	179.5	-179.6	179.5	170.7	-173.1	0	109	N347 R348 E349 V398 K399 L401	K334-N347 WeakPolarHBondContact CE-OD1 3.32Å; K334-R348 CarbonylContact C-O 3.53Å; K334-R348 WeakPolarHBondContact CA-O 3.47Å; K334-E349 HydrophobicContact CG-CG 4.45Å; K334-V398 WeakPolarHBondContact O-CA 3.41Å; K334-K399 PolarHBondContact N-O 3.22Å; K334-K399 PolarHBondContact O-N 2.88Å; K334-L401 HydrophobicContact CB-CD1 4.04Å; K334-L401 HydrophobicContact CB-CD2 4.04Å; K334-L401 HydrophobicContact CB-CG 3.99Å; K334-L401 HydrophobicContact CD-CD2 4.41Å
335	S	92.3	Very high	90.9	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.3	170.4	-63.8	0	0	0	0	108.5	R348	S335-R348 PolarHBondContact N-O 2.88Å; S335-R348 PolarHBondContact O-N 3.36Å
336	F	93.5	Very high	91.2	Very high	14 Å²	14	53.9 Å²	53.9	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.7	-180	69.6	-87.5	0	0	0	111.2	S346 N347 E375 K396 G397 K399	F336-S346 CarbonylContact C-O 3.6Å; F336-S346 VanDerWaalsContact CA-O 3.29Å; F336-S346 WeakPolarHBondContact CA-O 3.27Å; F336-N347 WeakPolarHBondContact CB-OD1 3.22Å; F336-E375 HydrophobicContact CZ-CG 4.13Å; F336-K396 WeakPolarHBondContact O-CA 3.3Å; F336-G397 VanDerWaalsContact CD1-O 3.3Å; F336-G397 WeakPolarHBondContact CD1-O 3.26Å; F336-G397 PolarHBondContact N-O 3.33Å; F336-G397 PolarHBondContact O-N 3.07Å; F336-K399 HydrophobicContact CD1-CD 4.48Å; F336-K399 HydrophobicContact CD1-CG 4.31Å; F336-K399 HydrophobicContact CE1-CD 4.22Å; F336-K399 HydrophobicContact CE1-CG 3.89Å
337	I	92.8	Very high	91.4	Very high	32 Å²	32	56.4 Å²	56.4	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.9	171.9	-58.4	176.3	0	0	0	107.6	E345 S346 L378 Y384 A394 V395 K396	I337-E345 CarbonylContact O-C 3.48Å; I337-E345 VanDerWaalsContact O-CA 3.29Å; I337-E345 WeakPolarHBondContact O-CA 3.11Å; I337-S346 PolarHBondContact N-O 3.14Å; I337-S346 PolarHBondContact O-N 3.44Å; I337-L378 HydrophobicContact CG2-CD1 4.49Å; I337-Y384 HydrophobicContact CB-CE2 4.48Å; I337-Y384 HydrophobicContact CD1-CD2 3.77Å; I337-Y384 HydrophobicContact CD1-CE2 3.34Å; I337-Y384 HydrophobicContact CG1-CE2 4.48Å; I337-Y384 HydrophobicContact CG2-CD1 3.98Å; I337-Y384 HydrophobicContact CG2-CD2 3.81Å; I337-Y384 HydrophobicContact CG2-CE1 4.21Å; I337-Y384 HydrophobicContact CG2-CE2 4.04Å; I337-Y384 HydrophobicContact CG2-CG 3.77Å; I337-A394 HydrophobicContact CG2-CB 3.86Å; I337-V395 CarbonylContact C-O 3.57Å; I337-V395 VanDerWaalsContact CA-O 3.32Å; I337-V395 WeakPolarHBondContact CA-O 3.41Å; I337-K396 HydrophobicContact CG1-CB 4.2Å; I337-K396 HydrophobicContact CG1-CG 4.1Å
338	R	93.5	Very high	91.6	Very high	105 Å²	105	56.7 Å²	56.7	40%	0.396	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.9	-177.1	-178.8	169.2	56	105	0.5	109.8	E345 A394 V395	R338-E345 HydrophobicContact CB-CG 4.24Å; R338-A394 CarbonylContact O-C 3.55Å; R338-A394 WeakPolarHBondContact O-CA 3.46Å; R338-V395 PolarHBondContact N-O 3Å; R338-V395 PolarHBondContact O-N 3.36Å
339	C	92.5	Very high	91.9	Very high	8 Å²	8	62.5 Å²	62.5	5%	0.054	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143	176.7	-65.7	0	0	0	0	110.9	V342 F344 Q392	C339-V342 HydrophobicContact CB-CG2 3.37Å; C339-F344 HydrophobicContact CB-CB 4.38Å; C339-F344 PolarHBondContact N-O 2.88Å; C339-Q392 HydrophobicContact CB-CB 4.42Å
340	L	91.2	Very high	91.8	Very high	93 Å²	93	65.4 Å²	65.4	49%	0.487	32%	0.323	S	S	.	.	S	Bend	trans	-81.1	-36.8	-178.4	-68.1	175.7	0	0	0	112.6	D393 V395	L340-D393 HydrophobicContact CD1-CB 4.21Å; L340-D393 PolarHBondContact N-O 3.22Å; L340-V395 HydrophobicContact CD1-CG2 4.41Å; L340-V395 HydrophobicContact CD2-CG2 3.69Å; L340-V395 HydrophobicContact CG-CG2 4.16Å
341	N	90	Very high	91.9	Very high	112 Å²	112	65.8 Å²	65.8	60%	0.599	33%	0.334	S	S	*	.	S	Bend	trans	-104.1	-10	-170	-59.1	-42.8	0	0	0	114
342	V	91.5	Very high	91.8	Very high	27 Å²	27	66.2 Å²	66.2	16%	0.164	34%	0.336	C	S	.	.	S	Bend	trans	-133.8	149.3	-178.5	-61.5	0	0	0	0	110.3	C339 F344 Y389 Q392	C339-V342 HydrophobicContact CB-CG2 3.37Å; V342-F344 HydrophobicContact CG2-CB 3.97Å; V342-F344 PolarHBondContact O-N 2.78Å; V342-Y389 HydrophobicContact CB-CD1 3.89Å; V342-Y389 HydrophobicContact CB-CE1 4.16Å; V342-Y389 HydrophobicContact CB-CG 4.16Å; V342-Y389 HydrophobicContact CG1-CD1 3.73Å; V342-Y389 HydrophobicContact CG1-CE1 4.29Å; V342-Y389 HydrophobicContact CG1-CG 4.23Å; V342-Y389 HydrophobicContact CG2-CD1 4.25Å; V342-Y389 HydrophobicContact CG2-CD2 4.34Å; V342-Y389 HydrophobicContact CG2-CG 4Å; V342-Q392 HydrophobicContact CG1-CG 4.48Å; V342-Q392 HydrophobicContact CG2-CG 3.93Å
343	P	90.8	Very high	91.5	Very high	123 Å²	123	63.2 Å²	63.2	80%	0.799	32%	0.323	S	S	*	.	S	Bend	trans	-78.5	60.5	179.1	34.4	-36.3	0	0	0	111
344	F	90.2	Very high	91.3	Very high	63 Å²	63	63.7 Å²	63.7	28%	0.276	33%	0.325	S	S	.	.			trans	-122.7	127.8	176.9	-178.2	-87.3	0	0	0	110.2	C339 V342 Y384 A386 Y389	C339-F344 HydrophobicContact CB-CB 4.38Å; C339-F344 PolarHBondContact N-O 2.88Å; V342-F344 HydrophobicContact CG2-CB 3.97Å; V342-F344 PolarHBondContact O-N 2.78Å; F344-Y384 HydrophobicContact CD1-CE1 4.35Å; F344-Y384 AromaticContact CE1-CE1 3.72Å; F344-Y384 HydrophobicContact CE1-CE1 3.72Å; F344-A386 HydrophobicContact CD1-CB 3.93Å; F344-A386 HydrophobicContact CE1-CB 4.29Å; F344-A386 HydrophobicContact CG-CB 4.19Å; F344-Y389 HydrophobicContact CB-CD2 4.02Å; F344-Y389 HydrophobicContact CB-CE2 4.03Å; F344-Y389 HydrophobicContact CD2-CD2 4.17Å; F344-Y389 HydrophobicContact CD2-CE2 4.15Å; F344-Y389 HydrophobicContact CG-CD2 4.33Å; F344-Y389 HydrophobicContact CG-CE2 4.49Å
345	E	90.9	Very high	91.2	Very high	98 Å²	98	61.8 Å²	61.8	46%	0.458	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.6	174.9	-171.6	-178.6	147	0	0	109.2	I337 R338 N347	I337-E345 CarbonylContact O-C 3.48Å; I337-E345 VanDerWaalsContact O-CA 3.29Å; I337-E345 WeakPolarHBondContact O-CA 3.11Å; R338-E345 HydrophobicContact CB-CG 4.24Å; E345-N347 PolarHBondContact OE1-ND2 2.85Å; E345-N347 PolarHBondContact OE1-OD1 2.85Å
346	S	90.9	Very high	91	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	172.1	-175.6	0	0	0	0	108.7	F336 I337	F336-S346 CarbonylContact C-O 3.6Å; F336-S346 VanDerWaalsContact CA-O 3.29Å; F336-S346 WeakPolarHBondContact CA-O 3.27Å; I337-S346 PolarHBondContact N-O 3.14Å; I337-S346 PolarHBondContact O-N 3.44Å
347	N	92.6	Very high	91	Very high	74 Å²	74	61.8 Å²	61.8	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129	180	-76.8	-59.1	0	0	0	109.1	K334 F336 E345	K334-N347 WeakPolarHBondContact CE-OD1 3.32Å; F336-N347 WeakPolarHBondContact CB-OD1 3.22Å; E345-N347 PolarHBondContact OE1-ND2 2.85Å; E345-N347 PolarHBondContact OE1-OD1 2.85Å
348	R	91.7	Very high	90.9	Very high	155 Å²	155	62.7 Å²	62.7	59%	0.585	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	120	176.9	-171.6	177.7	-179.5	-157.6	7.3	109.9	K334 S335 E350	K334-R348 CarbonylContact C-O 3.53Å; K334-R348 WeakPolarHBondContact CA-O 3.47Å; S335-R348 PolarHBondContact N-O 2.88Å; S335-R348 PolarHBondContact O-N 3.36Å; R348-E350 WeakPolarHBondContact CD-OE1 3.5Å; R348-E350 HydrophobicContact CG-CG 4.04Å; R348-E350 IonicContact CZ-OE1 3.97Å; R348-E350 IonicContact NE-OE1 2.67Å; R348-E350 PolarHBondContact NE-OE1 3.45Å; R348-E350 VanDerWaalsContact NE-OE1 3.13Å; R348-E350 IonicContact NH1-OE1 3.05Å; R348-E350 PolarHBondContact NH1-OE1 3.37Å; R348-E350 IonicContact NH2-OE1 3.7Å
349	E	93.5	Very high	90.7	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.3	171.1	-65	-175.5	-168	0	0	109.7	M333 K334 L401	M333-E349 WeakPolarHBondContact O-CA 3.06Å; K334-E349 HydrophobicContact CG-CG 4.45Å; E349-L401 HydrophobicContact CG-CD1 3.97Å
350	E	89.7	Confident	90.5	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	-179	-63.6	-179.3	176.6	0	0	109.6	M333 R348	M333-E350 HydrophobicContact CG-CB 4.39Å; M333-E350 PolarHBondContact N-O 2.9Å; M333-E350 PolarHBondContact O-N 3.49Å; R348-E350 WeakPolarHBondContact CD-OE1 3.5Å; R348-E350 HydrophobicContact CG-CG 4.04Å; R348-E350 IonicContact CZ-OE1 3.97Å; R348-E350 IonicContact NE-OE1 2.67Å; R348-E350 PolarHBondContact NE-OE1 3.45Å; R348-E350 VanDerWaalsContact NE-OE1 3.13Å; R348-E350 IonicContact NH1-OE1 3.05Å; R348-E350 PolarHBondContact NH1-OE1 3.37Å; R348-E350 IonicContact NH2-OE1 3.7Å
351	A	89.5	Confident	90.4	Very high	59 Å²	59	62.1 Å²	62.1	49%	0.488	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	146.1	172.1	0	0	0	0	0	109.9	E330 G331	E330-A351 HydrophobicContact CG-CB 3.93Å; G331-A351 WeakPolarHBondContact O-CA 3.49Å
352	F	89.2	Confident	90.6	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.039	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.6	176.4	70.8	-92.8	0	0	0	111.6	E330 G331 M333 D354 V355 F400 F403 P404 L407	E330-F352 WeakPolarHBondContact CA-O 3.33Å; G331-F352 VanDerWaalsContact C-CD1 3.44Å; G331-F352 PolarHBondContact N-O 2.77Å; G331-F352 PolarHBondContact O-N 2.86Å; M333-F352 HydrophobicContact CB-CD1 4.06Å; M333-F352 HydrophobicContact CB-CE1 4.18Å; M333-F352 HydrophobicContact CE-CB 3.37Å; M333-F352 HydrophobicContact CE-CD1 3.6Å; M333-F352 HydrophobicContact CE-CG 3.63Å; M333-F352 HydrophobicContact CG-CD1 4.09Å; F352-D354 WeakPolarHBondContact CD2-O 3.27Å; F352-V355 HydrophobicContact CD2-CG2 3.74Å; F352-V355 HydrophobicContact CE2-CG2 3.48Å; F352-V355 VanDerWaalsContact CE2-CG2 3.48Å; F352-V355 HydrophobicContact CZ-CG2 4.25Å; F352-F400 AromaticContact CE1-CD1 3.8Å; F352-F400 HydrophobicContact CE1-CD1 3.8Å; F352-F400 HydrophobicContact CE1-CE1 4.09Å; F352-F400 AromaticContact CZ-CD1 3.87Å; F352-F400 HydrophobicContact CZ-CD1 3.87Å; F352-F400 HydrophobicContact CZ-CE1 4.03Å; F352-F403 AromaticContact CZ-CD1 3.92Å; F352-F403 HydrophobicContact CZ-CD1 3.92Å; F352-F403 HydrophobicContact CZ-CE1 4.32Å; F352-P404 HydrophobicContact CE2-CG 4.4Å; F352-L407 HydrophobicContact CE2-CD1 4.34Å
353	Y	88	Confident	90.7	Very high	28 Å²	28	65.3 Å²	65.3	11%	0.11	34%	0.341	C	S	.	.	S	Bend	trans	-112.9	-17.4	177.8	-70.8	-108.9	0	0	0	112	F306 L309 E313 I325 F329	F306-Y353 AromaticContact CD2-CD2 3.71Å; F306-Y353 HydrophobicContact CD2-CD2 3.71Å; F306-Y353 HydrophobicContact CD2-CE2 4.2Å; F306-Y353 AromaticContact CD2-CG 3.95Å; F306-Y353 HydrophobicContact CD2-CG 3.95Å; F306-Y353 AromaticContact CE2-CD2 3.49Å; F306-Y353 HydrophobicContact CE2-CD2 3.49Å; F306-Y353 VanDerWaalsContact CE2-CD2 3.49Å; F306-Y353 AromaticContact CE2-CE2 3.55Å; F306-Y353 HydrophobicContact CE2-CE2 3.55Å; F306-Y353 HydrophobicContact CE2-CG 4.15Å; F306-Y353 HydrophobicContact CZ-CE2 4.49Å; L309-Y353 HydrophobicContact CD1-CD1 4.37Å; E313-Y353 PolarHBondContact OE2-OH 3.4Å; I325-Y353 HydrophobicContact CG2-CE1 4.14Å; F329-Y353 HydrophobicContact CB-CD1 3.76Å; F329-Y353 HydrophobicContact CB-CE1 4.45Å
354	D	88.9	Confident	90.9	Very high	26 Å²	26	61.3 Å²	61.3	14%	0.139	31%	0.313	C	S	.	.			trans	-141.2	164.3	172.2	62.5	46.4	0	0	0	110.4	S303 F352 H408 Q410	S303-D354 VanDerWaalsContact CB-OD2 3.29Å; S303-D354 WeakPolarHBondContact CB-OD2 3.45Å; F352-D354 WeakPolarHBondContact CD2-O 3.27Å; D354-H408 WeakPolarHBondContact CA-O 3.41Å; D354-H408 HydrophobicContact CB-CB 4.15Å; D354-Q410 VanDerWaalsContact CG-NE2 3.28Å; D354-Q410 PolarHBondContact OD2-NE2 3.34Å
355	V	91	Very high	91.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.6	172.1	-176.2	0	0	0	0	108.5	F352 L357 F369 Y372 F400 L407 H408 L409 Q410	F352-V355 HydrophobicContact CD2-CG2 3.74Å; F352-V355 HydrophobicContact CE2-CG2 3.48Å; F352-V355 VanDerWaalsContact CE2-CG2 3.48Å; F352-V355 HydrophobicContact CZ-CG2 4.25Å; V355-L357 HydrophobicContact CG1-CD2 3.87Å; V355-L357 HydrophobicContact CG1-CG 4.38Å; V355-F369 HydrophobicContact CG1-CE1 4.44Å; V355-F369 HydrophobicContact CG1-CZ 4.46Å; V355-Y372 HydrophobicContact CG1-CD2 4.3Å; V355-Y372 HydrophobicContact CG1-CE2 3.96Å; V355-F400 HydrophobicContact CG1-CZ 4.26Å; V355-F400 HydrophobicContact CG2-CE1 4.22Å; V355-L407 HydrophobicContact CG2-CD1 4.13Å; V355-H408 PolarHBondContact N-O 3.04Å; V355-L409 HydrophobicContact CB-CD2 3.84Å; V355-L409 HydrophobicContact CG2-CD2 4.37Å; V355-L409 WeakPolarHBondContact O-CA 3.29Å; V355-Q410 PolarHBondContact O-N 2.9Å
356	Q	89.9	Confident	91.4	Very high	48 Å²	48	56.1 Å²	56.1	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.9	178.2	-65.2	173	9.4	0	0	109.4	H301 Y372 Q410 M412	H301-Q356 PolarHBondContact ND1-OE1 3.48Å; Q356-Y372 WeakPolarHBondContact O-CE2 3.49Å; Q356-Q410 HydrophobicContact CG-CB 4.32Å; Q356-M412 HydrophobicContact CB-CG 4.28Å; Q356-M412 HydrophobicContact CB-SD 4.13Å; Q356-M412 HydrophobicContact CG-SD 4.36Å
357	L	92.4	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.2	-176.9	-64.2	-179.3	0	0	0	110.8	V355 I365 F369 Y372 L409 Q410 L411 M412	V355-L357 HydrophobicContact CG1-CD2 3.87Å; V355-L357 HydrophobicContact CG1-CG 4.38Å; L357-I365 HydrophobicContact CD1-CG2 4.09Å; L357-F369 HydrophobicContact CD1-CD2 4.07Å; L357-F369 HydrophobicContact CD1-CE2 3.77Å; L357-F369 HydrophobicContact CD2-CD2 4Å; L357-F369 HydrophobicContact CD2-CE2 4.03Å; L357-F369 HydrophobicContact CD2-CG 4.33Å; L357-F369 HydrophobicContact CD2-CZ 4.37Å; L357-F369 HydrophobicContact CG-CE2 4.49Å; L357-Y372 HydrophobicContact CD2-CD2 4.41Å; L357-L409 HydrophobicContact CD1-CB 4.19Å; L357-L409 HydrophobicContact CD1-CD1 4.08Å; L357-L409 HydrophobicContact CD1-CD2 4.19Å; L357-L409 HydrophobicContact CD1-CG 4.39Å; L357-Q410 PolarHBondContact N-O 2.88Å; L357-L411 HydrophobicContact CB-CD2 4.25Å; L357-L411 HydrophobicContact CD1-CD2 4.37Å; L357-M412 WeakPolarHBondContact O-CB 3.17Å; L357-M412 WeakPolarHBondContact O-CG 3.26Å; L357-M412 PolarHBondContact O-N 3.46Å
358	N	91.3	Very high	91.8	Very high	52 Å²	52	52.8 Å²	52.8	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131	173.8	-170.8	21.6	0	0	0	110.5	K360 S368 E371 Q415	N358-K360 PolarHBondContact OD1-N 2.55Å; N358-S368 WeakPolarHBondContact O-CB 3.49Å; N358-S368 PolarHBondContact O-OG 3.32Å; N358-E371 WeakPolarHBondContact CB-OE2 3.32Å; N358-E371 PolarHBondContact ND2-OE2 2.91Å; N358-Q415 PolarHBondContact OD1-NE2 2.89Å
359	V	90.1	Very high	91.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.242	C	C	.	.			trans	-100	-30.3	-177.3	177.6	0	0	0	0	111.5	G361 K362 L411 R413 F430	V359-G361 PolarHBondContact O-N 3.45Å; V359-K362 PolarHBondContact O-N 2.89Å; V359-L411 HydrophobicContact CG2-CB 3.72Å; V359-L411 HydrophobicContact CG2-CD2 4.49Å; V359-R413 HydrophobicContact CG2-CG 4.21Å; V359-F430 HydrophobicContact CB-CD2 4.35Å; V359-F430 HydrophobicContact CG1-CB 3.73Å; V359-F430 HydrophobicContact CG1-CD2 3.8Å; V359-F430 HydrophobicContact CG1-CG 3.84Å; V359-F430 HydrophobicContact CG2-CD2 4.39Å; V359-F430 HydrophobicContact CG2-CG 4.4Å
360	K	88	Confident	92	Very high	122 Å²	122	44.3 Å²	44.3	53%	0.53	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	120.2	-172.6	-167.4	171.5	-179.4	175.2	0	110.9	N358 K362 I426	N358-K360 PolarHBondContact OD1-N 2.55Å; K360-K362 PolarHBondContact O-N 3.18Å; K360-I426 HydrophobicContact CB-CD1 4.03Å; K360-I426 HydrophobicContact CD-CD1 4.27Å; K360-I426 HydrophobicContact CG-CD1 4.38Å
361	G	89	Confident	92.2	Very high	71 Å²	71	44.8 Å²	44.8	73%	0.732	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	11.7	179.9	0	0	0	0	0	115	V359	V359-G361 PolarHBondContact O-N 3.45Å
362	K	93.5	Very high	92.4	Very high	51 Å²	51	45.4 Å²	45.4	22%	0.222	23%	0.225	C	C	.	.			trans	-109	144.4	175.7	-54.6	-53.6	179.6	-171	0	110.6	V359 K360 D367 E371 F430	V359-K362 PolarHBondContact O-N 2.89Å; K360-K362 PolarHBondContact O-N 3.18Å; K362-D367 HydrophobicContact CB-CB 4.42Å; K362-D367 HydrophobicContact CD-CB 4.37Å; K362-E371 WeakPolarHBondContact CE-OE1 3.49Å; K362-E371 WeakPolarHBondContact CE-OE2 3.49Å; K362-E371 IonicContact NZ-OE1 3.79Å; K362-E371 PolarHBondContact NZ-OE1 3.13Å; K362-E371 IonicContact NZ-OE2 2.76Å; K362-E371 PolarHBondContact NZ-OE2 2.73Å; K362-F430 HydrophobicContact CB-CD2 4.36Å; K362-F430 HydrophobicContact CB-CE2 4.02Å
363	K	93.6	Very high	92.6	Very high	155 Å²	155	47.7 Å²	47.7	67%	0.674	24%	0.237	S	C	*	.	S	Bend	trans	-89.2	-33.7	-178.9	-65.6	-178.3	179.1	-179.6	0	112.8	E431	K363-E431 PolarHBondContact O-N 3.31Å
364	N	94.4	Very high	92.8	Very high	39 Å²	39	49 Å²	49	21%	0.209	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-153.5	170.2	-172.3	59.3	68	0	0	0	111.9	L366 D367 S368 F430 E431	N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 PolarHBondContact O-N 3.28Å; N364-L366 WeakPolarHBondContact OD1-CA 3.35Å; N364-L366 WeakPolarHBondContact OD1-CB 3.47Å; N364-L366 PolarHBondContact OD1-N 2.88Å; N364-D367 PolarHBondContact ND2-OD2 3.04Å; N364-D367 PolarHBondContact O-N 3.29Å; N364-D367 PolarHBondContact OD1-N 2.81Å; N364-S368 PolarHBondContact O-N 3.45Å; N364-F430 WeakPolarHBondContact O-CE2 3.31Å; N364-E431 WeakPolarHBondContact CA-O 3.26Å; N364-E431 HydrophobicContact CB-CB 4.16Å
365	I	96.1	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.7	-44	177	-68.1	-177.2	0	0	0	113	L357 D367 S368 F369 L409 F430 E431 F432 L436 L520 Y522	L357-I365 HydrophobicContact CD1-CG2 4.09Å; I365-D367 VanDerWaalsContact C-N 3.33Å; I365-D367 PolarHBondContact O-N 3.2Å; I365-S368 WeakPolarHBondContact O-CB 3.24Å; I365-S368 PolarHBondContact O-N 2.85Å; I365-F369 HydrophobicContact CG2-CD2 3.5Å; I365-F369 VanDerWaalsContact CG2-CD2 3.5Å; I365-F369 HydrophobicContact CG2-CE2 3.59Å; I365-F369 WeakPolarHBondContact O-CD2 3.42Å; I365-F369 PolarHBondContact O-N 2.62Å; I365-L409 HydrophobicContact CD1-CD1 4Å; I365-L409 HydrophobicContact CG2-CD1 4.25Å; I365-F430 HydrophobicContact CG1-CE1 3.8Å; I365-F430 HydrophobicContact CG1-CZ 4.05Å; I365-E431 PolarHBondContact N-O 3.29Å; I365-F432 HydrophobicContact CD1-CB 3.45Å; I365-F432 VanDerWaalsContact CD1-CB 3.45Å; I365-F432 HydrophobicContact CG1-CB 3.92Å; I365-L436 HydrophobicContact CB-CD1 4.33Å; I365-L436 HydrophobicContact CD1-CD2 4.46Å; I365-L436 HydrophobicContact CG2-CD1 3.78Å; I365-L436 HydrophobicContact CG2-CD2 4.05Å; I365-L520 HydrophobicContact CD1-CD1 3.64Å; I365-L520 HydrophobicContact CG1-CD1 4.46Å; I365-Y522 HydrophobicContact CD1-CE2 3.9Å; I365-Y522 WeakPolarHBondContact CD1-OH 3.38Å
366	L	96	Very high	93	Very high	52 Å²	52	57.6 Å²	57.6	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-38.5	-175.5	-59.6	174.8	0	0	0	111.5	N364 S368 F369 R370 L436 F441	N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 PolarHBondContact O-N 3.28Å; N364-L366 WeakPolarHBondContact OD1-CA 3.35Å; N364-L366 WeakPolarHBondContact OD1-CB 3.47Å; N364-L366 PolarHBondContact OD1-N 2.88Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 3.45Å; L366-F369 PolarHBondContact O-N 2.93Å; L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.03Å; L366-L436 HydrophobicContact CD2-CD1 3.95Å; L366-F441 HydrophobicContact CD2-CE2 3.84Å; L366-F441 HydrophobicContact CD2-CZ 4.26Å
367	D	95.8	Very high	93.1	Very high	44 Å²	44	59 Å²	59	24%	0.235	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-36.7	175.4	-66.8	-24.7	0	0	0	111.8	K362 N364 I365 R370 E371	K362-D367 HydrophobicContact CB-CB 4.42Å; K362-D367 HydrophobicContact CD-CB 4.37Å; N364-D367 PolarHBondContact ND2-OD2 3.04Å; N364-D367 PolarHBondContact O-N 3.29Å; N364-D367 PolarHBondContact OD1-N 2.81Å; I365-D367 VanDerWaalsContact C-N 3.33Å; I365-D367 PolarHBondContact O-N 3.2Å; D367-R370 PolarHBondContact O-N 3.25Å; D367-R370 IonicContact OD1-NH1 2.8Å; D367-R370 PolarHBondContact OD1-NH1 3.43Å; D367-E371 PolarHBondContact O-N 2.89Å
368	S	95.3	Very high	93	Very high	2 Å²	2	60 Å²	60	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-39.4	173.1	-59.5	0	0	0	0	112.3	N358 N364 I365 L366 E371 Y372 F430	N358-S368 WeakPolarHBondContact O-CB 3.49Å; N358-S368 PolarHBondContact O-OG 3.32Å; N364-S368 PolarHBondContact O-N 3.45Å; I365-S368 WeakPolarHBondContact O-CB 3.24Å; I365-S368 PolarHBondContact O-N 2.85Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 3.45Å; S368-E371 PolarHBondContact O-N 3.14Å; S368-Y372 WeakPolarHBondContact O-CB 3.31Å; S368-Y372 PolarHBondContact O-N 3Å; S368-F430 WeakPolarHBondContact OG-CE2 3.48Å; S368-F430 WeakPolarHBondContact OG-CZ 3.41Å
369	F	95.3	Very high	92.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-39	174.3	-92.7	-85.2	0	0	0	112.1	V355 L357 I365 L366 E371 Y372 I373 F400 F403 L409 L438 F441	V355-F369 HydrophobicContact CG1-CE1 4.44Å; V355-F369 HydrophobicContact CG1-CZ 4.46Å; L357-F369 HydrophobicContact CD1-CD2 4.07Å; L357-F369 HydrophobicContact CD1-CE2 3.77Å; L357-F369 HydrophobicContact CD2-CD2 4Å; L357-F369 HydrophobicContact CD2-CE2 4.03Å; L357-F369 HydrophobicContact CD2-CG 4.33Å; L357-F369 HydrophobicContact CD2-CZ 4.37Å; L357-F369 HydrophobicContact CG-CE2 4.49Å; I365-F369 HydrophobicContact CG2-CD2 3.5Å; I365-F369 VanDerWaalsContact CG2-CD2 3.5Å; I365-F369 HydrophobicContact CG2-CE2 3.59Å; I365-F369 WeakPolarHBondContact O-CD2 3.42Å; I365-F369 PolarHBondContact O-N 2.62Å; L366-F369 PolarHBondContact O-N 2.93Å; F369-E371 VanDerWaalsContact C-N 3.34Å; F369-E371 PolarHBondContact O-N 2.99Å; F369-Y372 WeakPolarHBondContact O-CB 3.48Å; F369-Y372 PolarHBondContact O-N 3.3Å; F369-Y372 VanDerWaalsContact O-N 3.13Å; F369-I373 WeakPolarHBondContact O-CG1 3.4Å; F369-I373 PolarHBondContact O-N 3.17Å; F369-F400 AromaticContact CD1-CE2 3.86Å; F369-F400 HydrophobicContact CD1-CE2 3.86Å; F369-F400 HydrophobicContact CD1-CZ 4.26Å; F369-F400 AromaticContact CE1-CE2 3.91Å; F369-F400 HydrophobicContact CE1-CE2 3.91Å; F369-F400 AromaticContact CE1-CZ 3.93Å; F369-F400 HydrophobicContact CE1-CZ 3.93Å; F369-F403 AromaticContact CE1-CE1 3.91Å; F369-F403 HydrophobicContact CE1-CE1 3.91Å; F369-F403 AromaticContact CE1-CZ 3.95Å; F369-F403 HydrophobicContact CE1-CZ 3.95Å; F369-F403 HydrophobicContact CZ-CE1 4.43Å; F369-L409 HydrophobicContact CE2-CD1 4.18Å; F369-L409 HydrophobicContact CE2-CD2 4.05Å; F369-L409 HydrophobicContact CZ-CD2 3.82Å; F369-L438 HydrophobicContact CD1-CD2 4.4Å; F369-L438 HydrophobicContact CD2-CD2 3.95Å; F369-L438 HydrophobicContact CE1-CD1 4.47Å; F369-L438 HydrophobicContact CE1-CD2 4.27Å; F369-L438 HydrophobicContact CE2-CD1 4.39Å; F369-L438 HydrophobicContact CE2-CD2 3.79Å; F369-L438 HydrophobicContact CG-CD2 4.24Å; F369-L438 HydrophobicContact CZ-CD1 3.96Å; F369-L438 HydrophobicContact CZ-CD2 3.96Å; F369-F441 HydrophobicContact CB-CD1 3.91Å; F369-F441 HydrophobicContact CB-CD2 4.06Å; F369-F441 HydrophobicContact CB-CE1 3.52Å; F369-F441 HydrophobicContact CB-CE2 3.69Å; F369-F441 HydrophobicContact CB-CG 4.17Å; F369-F441 HydrophobicContact CB-CZ 3.41Å; F369-F441 VanDerWaalsContact CB-CZ 3.41Å; F369-F441 HydrophobicContact CD1-CD2 4.24Å; F369-F441 HydrophobicContact CD1-CG 4.22Å; F369-F441 HydrophobicContact CG-CD2 4.24Å; F369-F441 HydrophobicContact CG-CE2 4.17Å; F369-F441 HydrophobicContact CG-CG 4.49Å; F369-F441 HydrophobicContact CG-CZ 4.37Å
370	R	95	Very high	92.8	Very high	108 Å²	108	66 Å²	66	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-39.6	173.8	-72.5	175.7	-164.9	118.8	12.2	112.4	L366 D367 A374 E440 F441	L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.03Å; D367-R370 PolarHBondContact O-N 3.25Å; D367-R370 IonicContact OD1-NH1 2.8Å; D367-R370 PolarHBondContact OD1-NH1 3.43Å; R370-A374 PolarHBondContact O-N 3.25Å; R370-E440 IonicContact CZ-OE1 3.22Å; R370-E440 IonicContact NH2-OE1 2.62Å; R370-E440 PolarHBondContact NH2-OE1 3.13Å; R370-E440 VanDerWaalsContact NH2-OE1 3.14Å; R370-F441 HydrophobicContact CG-CE1 3.8Å; R370-F441 HydrophobicContact CG-CZ 4.16Å
371	E	94.1	Very high	92.8	Very high	73 Å²	73	68.4 Å²	68.4	34%	0.341	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-41.2	170.8	175.9	172.2	-107.3	0	0	111.4	N358 K362 D367 S368 F369 I373 A374	N358-E371 WeakPolarHBondContact CB-OE2 3.32Å; N358-E371 PolarHBondContact ND2-OE2 2.91Å; K362-E371 WeakPolarHBondContact CE-OE1 3.49Å; K362-E371 WeakPolarHBondContact CE-OE2 3.49Å; K362-E371 IonicContact NZ-OE1 3.79Å; K362-E371 PolarHBondContact NZ-OE1 3.13Å; K362-E371 IonicContact NZ-OE2 2.76Å; K362-E371 PolarHBondContact NZ-OE2 2.73Å; D367-E371 PolarHBondContact O-N 2.89Å; S368-E371 PolarHBondContact O-N 3.14Å; F369-E371 VanDerWaalsContact C-N 3.34Å; F369-E371 PolarHBondContact O-N 2.99Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 3.32Å; E371-A374 VanDerWaalsContact O-CB 3.26Å; E371-A374 WeakPolarHBondContact O-CB 3.21Å; E371-A374 PolarHBondContact O-N 3.28Å; E371-A374 VanDerWaalsContact O-N 3.08Å
372	Y	92.8	Very high	92.8	Very high	71 Å²	71	70.7 Å²	70.7	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-38.3	-179.3	-162.8	-79.8	0	0	0	112.6	V355 Q356 L357 S368 F369 V398 F400	V355-Y372 HydrophobicContact CG1-CD2 4.3Å; V355-Y372 HydrophobicContact CG1-CE2 3.96Å; Q356-Y372 WeakPolarHBondContact O-CE2 3.49Å; L357-Y372 HydrophobicContact CD2-CD2 4.41Å; S368-Y372 WeakPolarHBondContact O-CB 3.31Å; S368-Y372 PolarHBondContact O-N 3Å; F369-Y372 WeakPolarHBondContact O-CB 3.48Å; F369-Y372 PolarHBondContact O-N 3.3Å; F369-Y372 VanDerWaalsContact O-N 3.13Å; Y372-V398 HydrophobicContact CE1-CB 4.41Å; Y372-V398 HydrophobicContact CE1-CG1 4.01Å; Y372-F400 AromaticContact CD1-CE2 3.77Å; Y372-F400 HydrophobicContact CD1-CE2 3.77Å; Y372-F400 AromaticContact CD1-CZ 3.55Å; Y372-F400 HydrophobicContact CD1-CZ 3.55Å; Y372-F400 HydrophobicContact CE1-CE1 4.26Å; Y372-F400 HydrophobicContact CE1-CE2 4.14Å; Y372-F400 AromaticContact CE1-CZ 3.51Å; Y372-F400 HydrophobicContact CE1-CZ 3.51Å; Y372-F400 HydrophobicContact CG-CZ 4.4Å
373	I	93.2	Very high	92.6	Very high	58 Å²	58	71.9 Å²	71.9	30%	0.297	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1	177.2	66.8	156.1	0	0	0	113.6	F369 E371 F400 F441	F369-I373 WeakPolarHBondContact O-CG1 3.4Å; F369-I373 PolarHBondContact O-N 3.17Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 3.32Å; I373-F400 HydrophobicContact CG2-CD2 3.98Å; I373-F400 HydrophobicContact CG2-CE2 3.84Å; I373-F441 HydrophobicContact CD1-CD1 3.81Å; I373-F441 HydrophobicContact CD1-CE1 4.31Å; I373-F441 HydrophobicContact CG1-CD1 4.22Å; I373-F441 HydrophobicContact CG2-CD1 4.45Å
374	A	93.4	Very high	92.4	Very high	56 Å²	56	67.3 Å²	67.3	46%	0.463	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-66.5	138.2	-179.3	0	0	0	0	0	110.6	R370 E371 E376	R370-A374 PolarHBondContact O-N 3.25Å; E371-A374 VanDerWaalsContact O-CB 3.26Å; E371-A374 WeakPolarHBondContact O-CB 3.21Å; E371-A374 PolarHBondContact O-N 3.28Å; E371-A374 VanDerWaalsContact O-N 3.08Å; A374-E376 PolarHBondContact O-N 2.94Å
375	E	93.3	Very high	92.2	Very high	109 Å²	109	70.3 Å²	70.3	51%	0.509	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-73.7	123.4	177.6	-74.3	-172.8	170.1	0	0	110.7	F336 V395 K396	F336-E375 HydrophobicContact CZ-CG 4.13Å; E375-V395 HydrophobicContact CB-CG1 3.56Å; E375-V395 HydrophobicContact CG-CG1 3.79Å; E375-V395 WeakPolarHBondContact OE2-CG1 3.23Å; E375-K396 CarbonylContact C-O 3.52Å; E375-K396 WeakPolarHBondContact CA-O 3.34Å
376	E	91	Very high	91.9	Very high	97 Å²	97	70.5 Å²	70.5	45%	0.453	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.8	173.6	-176.6	-176.7	-170.4	0	0	109.1	A374 L378 V395 K396	A374-E376 PolarHBondContact O-N 2.94Å; E376-L378 HydrophobicContact CG-CD2 4.48Å; E376-V395 WeakPolarHBondContact O-CA 3.48Å; E376-K396 HydrophobicContact CB-CB 4.44Å; E376-K396 PolarHBondContact N-O 3.42Å; E376-K396 PolarHBondContact O-N 3.38Å; E376-K396 IonicContact OE2-NZ 3.42Å; E376-K396 PolarHBondContact OE2-NZ 3.31Å
377	T	91.9	Very high	91.6	Very high	78 Å²	78	70.6 Å²	70.6	48%	0.479	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.7	176.2	-57	0	0	0	0	110	E379	T377-E379 HydrophobicContact CG2-CB 4.46Å; T377-E379 HydrophobicContact CG2-CG 4.46Å
378	L	90.4	Very high	91.2	Very high	21 Å²	21	78.1 Å²	78.1	11%	0.11	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	98.1	177.3	-61.8	-179.3	0	0	0	109	I337 E376 N382 Y384 D393 A394 K396	I337-L378 HydrophobicContact CG2-CD1 4.49Å; E376-L378 HydrophobicContact CG-CD2 4.48Å; L378-N382 WeakPolarHBondContact CB-O 3.43Å; L378-Y384 HydrophobicContact CD1-CD2 4.43Å; L378-D393 VanDerWaalsContact O-CA 3.29Å; L378-D393 WeakPolarHBondContact O-CA 3.46Å; L378-A394 WeakPolarHBondContact CA-O 3.36Å; L378-A394 HydrophobicContact CB-CB 4.39Å; L378-A394 WeakPolarHBondContact CB-O 3.39Å; L378-A394 HydrophobicContact CD1-CB 4.39Å; L378-A394 PolarHBondContact N-O 3.14Å; L378-A394 PolarHBondContact O-N 2.8Å; L378-A394 VanDerWaalsContact O-N 3.08Å; L378-K396 HydrophobicContact CD1-CB 4.06Å; L378-K396 HydrophobicContact CG-CB 4.29Å
379	E	89.4	Confident	90.9	Very high	131 Å²	131	83.1 Å²	83.1	61%	0.612	43%	0.431	S	S	*	.			trans	-132.6	170.1	-179.5	63.1	178.5	-178.5	0	0	112.1	T377 D381 N382	T377-E379 HydrophobicContact CG2-CB 4.46Å; T377-E379 HydrophobicContact CG2-CG 4.46Å; E379-D381 PolarHBondContact O-N 3.27Å; E379-N382 PolarHBondContact O-N 3.46Å; E379-N382 VanDerWaalsContact O-N 3.1Å
380	G	87.7	Confident	90.6	Very high	47 Å²	47	84.5 Å²	84.5	49%	0.485	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	65.2	-125.1	177.6	0	0	0	0	0	112.9	N382 K383	G380-N382 PolarHBondContact O-N 3.14Å; G380-K383 WeakPolarHBondContact O-CD 3.43Å; G380-K383 WeakPolarHBondContact O-CE 3.37Å; G380-K383 VanDerWaalsContact O-CG 3.28Å; G380-K383 WeakPolarHBondContact O-CG 3.21Å
381	D	87.7	Confident	90.5	Very high	173 Å²	173	84.7 Å²	84.7	93%	0.925	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-75.4	-13.7	177.2	-64.9	-26.7	0	0	0	112.6	E379	E379-D381 PolarHBondContact O-N 3.27Å
382	N	88.4	Confident	90.4	Very high	120 Å²	120	83.1 Å²	83.1	64%	0.642	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-95.7	17.4	-178.8	-66.3	-29.4	0	0	0	113.3	L378 E379 G380	L378-N382 WeakPolarHBondContact CB-O 3.43Å; E379-N382 PolarHBondContact O-N 3.46Å; E379-N382 VanDerWaalsContact O-N 3.1Å; G380-N382 PolarHBondContact O-N 3.14Å
383	K	89.2	Confident	90.5	Very high	76 Å²	76	81.5 Å²	81.5	33%	0.33	44%	0.443	S	S	.	.			trans	-56.1	145.3	178.8	-76.9	168.7	-165.3	-92.3	0	111.9	G380 L391 D393	G380-K383 WeakPolarHBondContact O-CD 3.43Å; G380-K383 WeakPolarHBondContact O-CE 3.37Å; G380-K383 VanDerWaalsContact O-CG 3.28Å; G380-K383 WeakPolarHBondContact O-CG 3.21Å; K383-L391 HydrophobicContact CB-CB 4Å; K383-L391 HydrophobicContact CB-CD2 4.42Å; K383-L391 HydrophobicContact CD-CB 4.33Å; K383-D393 WeakPolarHBondContact CE-OD1 3.34Å; K383-D393 VanDerWaalsContact CG-OD1 3.29Å; K383-D393 WeakPolarHBondContact CG-OD1 3.49Å; K383-D393 IonicContact NZ-OD1 2.7Å; K383-D393 PolarHBondContact NZ-OD1 3.08Å; K383-D393 IonicContact NZ-OD2 3.33Å; K383-D393 PolarHBondContact NZ-OD2 3.46Å
384	Y	89.9	Confident	90.5	Very high	59 Å²	59	78.8 Å²	78.8	23%	0.231	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.5	179.4	-178	-100.7	0	0	0	111.4	I337 F344 L378 A386 L391 Q392 A394	I337-Y384 HydrophobicContact CB-CE2 4.48Å; I337-Y384 HydrophobicContact CD1-CD2 3.77Å; I337-Y384 HydrophobicContact CD1-CE2 3.34Å; I337-Y384 HydrophobicContact CG1-CE2 4.48Å; I337-Y384 HydrophobicContact CG2-CD1 3.98Å; I337-Y384 HydrophobicContact CG2-CD2 3.81Å; I337-Y384 HydrophobicContact CG2-CE1 4.21Å; I337-Y384 HydrophobicContact CG2-CE2 4.04Å; I337-Y384 HydrophobicContact CG2-CG 3.77Å; F344-Y384 HydrophobicContact CD1-CE1 4.35Å; F344-Y384 AromaticContact CE1-CE1 3.72Å; F344-Y384 HydrophobicContact CE1-CE1 3.72Å; L378-Y384 HydrophobicContact CD1-CD2 4.43Å; Y384-A386 HydrophobicContact CD1-CB 4.1Å; Y384-A386 HydrophobicContact CE1-CB 4.28Å; Y384-A386 PolarHBondContact O-N 3.29Å; Y384-L391 CarbonylContact O-C 3.54Å; Y384-L391 WeakPolarHBondContact O-CA 3.47Å; Y384-Q392 PolarHBondContact N-O 3.5Å; Y384-Q392 PolarHBondContact O-N 3.21Å; Y384-A394 HydrophobicContact CG-CB 4.45Å
385	D	91.1	Very high	90.5	Very high	102 Å²	102	76.5 Å²	76.5	55%	0.545	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	100.8	171.7	-172.6	-4.5	0	0	0	110.5	G387 L391	D385-G387 PolarHBondContact O-N 3.09Å; D385-G387 PolarHBondContact OD1-N 3.37Å; D385-L391 HydrophobicContact CB-CD2 4.08Å
386	A	88.4	Confident	90.5	Very high	4 Å²	4	75.7 Å²	75.7	3%	0.033	40%	0.404	C	S	.	.			trans	-87.6	26.2	178.5	0	0	0	0	0	113	F344 Y384 H388 Y389 G390 Q392	F344-A386 HydrophobicContact CD1-CB 3.93Å; F344-A386 HydrophobicContact CE1-CB 4.29Å; F344-A386 HydrophobicContact CG-CB 4.19Å; Y384-A386 HydrophobicContact CD1-CB 4.1Å; Y384-A386 HydrophobicContact CE1-CB 4.28Å; Y384-A386 PolarHBondContact O-N 3.29Å; A386-H388 PolarHBondContact O-N 2.65Å; A386-Y389 HydrophobicContact CB-CD2 4.46Å; A386-Y389 PolarHBondContact O-N 3.06Å; A386-G390 PolarHBondContact N-O 3.4Å; A386-Q392 HydrophobicContact CB-CG 4.23Å
387	G	90.1	Very high	90.6	Very high	54 Å²	54	71.3 Å²	71.3	56%	0.557	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	64.2	-106.2	174.9	0	0	0	0	0	111.9	D385 Y389 G390	D385-G387 PolarHBondContact O-N 3.09Å; D385-G387 PolarHBondContact OD1-N 3.37Å; G387-Y389 PolarHBondContact O-N 2.75Å; G387-Y389 VanDerWaalsContact O-N 3.16Å; G387-G390 PolarHBondContact O-N 3.36Å
388	H	88.4	Confident	90.6	Very high	201 Å²	201	68.8 Å²	68.8	93%	0.931	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61	-23.4	179.1	-67.1	-58.8	0	0	0	113.9	A386	A386-H388 PolarHBondContact O-N 2.65Å
389	Y	87.4	Confident	90.7	Very high	107 Å²	107	71.6 Å²	71.6	42%	0.42	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-90.2	-5.5	177.5	-63	-76.6	0	0	0	113.6	V342 F344 A386 G387 Q392	V342-Y389 HydrophobicContact CB-CD1 3.89Å; V342-Y389 HydrophobicContact CB-CE1 4.16Å; V342-Y389 HydrophobicContact CB-CG 4.16Å; V342-Y389 HydrophobicContact CG1-CD1 3.73Å; V342-Y389 HydrophobicContact CG1-CE1 4.29Å; V342-Y389 HydrophobicContact CG1-CG 4.23Å; V342-Y389 HydrophobicContact CG2-CD1 4.25Å; V342-Y389 HydrophobicContact CG2-CD2 4.34Å; V342-Y389 HydrophobicContact CG2-CG 4Å; F344-Y389 HydrophobicContact CB-CD2 4.02Å; F344-Y389 HydrophobicContact CB-CE2 4.03Å; F344-Y389 HydrophobicContact CD2-CD2 4.17Å; F344-Y389 HydrophobicContact CD2-CE2 4.15Å; F344-Y389 HydrophobicContact CG-CD2 4.33Å; F344-Y389 HydrophobicContact CG-CE2 4.49Å; A386-Y389 HydrophobicContact CB-CD2 4.46Å; A386-Y389 PolarHBondContact O-N 3.06Å; G387-Y389 PolarHBondContact O-N 2.75Å; G387-Y389 VanDerWaalsContact O-N 3.16Å; Y389-Q392 PolarHBondContact O-NE2 2.96Å
390	G	90.8	Very high	91	Very high	29 Å²	29	65.3 Å²	65.3	30%	0.299	35%	0.351	S	S	.	.			trans	64.9	-156.9	-174.3	0	0	0	0	0	113.3	A386 G387 Q392	A386-G390 PolarHBondContact N-O 3.4Å; G387-G390 PolarHBondContact O-N 3.36Å; G390-Q392 PolarHBondContact O-N 3.05Å
391	L	92.8	Very high	91.2	Very high	113 Å²	113	64.8 Å²	64.8	59%	0.592	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.2	179.5	-66.6	173.6	0	0	0	111.4	K383 Y384 D385	K383-L391 HydrophobicContact CB-CB 4Å; K383-L391 HydrophobicContact CB-CD2 4.42Å; K383-L391 HydrophobicContact CD-CB 4.33Å; Y384-L391 CarbonylContact O-C 3.54Å; Y384-L391 WeakPolarHBondContact O-CA 3.47Å; D385-L391 HydrophobicContact CB-CD2 4.08Å
392	Q	91.6	Very high	91.5	Very high	39 Å²	39	60.8 Å²	60.8	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.8	-176.9	-65.5	-62.6	-31.6	0	0	111.5	C339 V342 Y384 A386 Y389 G390 A394	C339-Q392 HydrophobicContact CB-CB 4.42Å; V342-Q392 HydrophobicContact CG1-CG 4.48Å; V342-Q392 HydrophobicContact CG2-CG 3.93Å; Y384-Q392 PolarHBondContact N-O 3.5Å; Y384-Q392 PolarHBondContact O-N 3.21Å; A386-Q392 HydrophobicContact CB-CG 4.23Å; Y389-Q392 PolarHBondContact O-NE2 2.96Å; G390-Q392 PolarHBondContact O-N 3.05Å; Q392-A394 PolarHBondContact O-N 2.93Å
393	D	94.2	Very high	91.8	Very high	38 Å²	38	55 Å²	55	20%	0.203	28%	0.281	C	S	.	.			trans	-69.8	128.3	166.6	-55.3	-39.6	0	0	0	108.2	L340 L378 K383	L340-D393 HydrophobicContact CD1-CB 4.21Å; L340-D393 PolarHBondContact N-O 3.22Å; L378-D393 VanDerWaalsContact O-CA 3.29Å; L378-D393 WeakPolarHBondContact O-CA 3.46Å; K383-D393 WeakPolarHBondContact CE-OD1 3.34Å; K383-D393 VanDerWaalsContact CG-OD1 3.29Å; K383-D393 WeakPolarHBondContact CG-OD1 3.49Å; K383-D393 IonicContact NZ-OD1 2.7Å; K383-D393 PolarHBondContact NZ-OD1 3.08Å; K383-D393 IonicContact NZ-OD2 3.33Å; K383-D393 PolarHBondContact NZ-OD2 3.46Å
394	A	93.5	Very high	92	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.6	-173	0	0	0	0	0	111.7	I337 R338 L378 Y384 Q392	I337-A394 HydrophobicContact CG2-CB 3.86Å; R338-A394 CarbonylContact O-C 3.55Å; R338-A394 WeakPolarHBondContact O-CA 3.46Å; L378-A394 WeakPolarHBondContact CA-O 3.36Å; L378-A394 HydrophobicContact CB-CB 4.39Å; L378-A394 WeakPolarHBondContact CB-O 3.39Å; L378-A394 HydrophobicContact CD1-CB 4.39Å; L378-A394 PolarHBondContact N-O 3.14Å; L378-A394 PolarHBondContact O-N 2.8Å; L378-A394 VanDerWaalsContact O-N 3.08Å; Y384-A394 HydrophobicContact CG-CB 4.45Å; Q392-A394 PolarHBondContact O-N 2.93Å
395	V	94.1	Very high	92.1	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	172.9	177.1	0	0	0	0	108.4	I337 R338 L340 E375 E376	I337-V395 CarbonylContact C-O 3.57Å; I337-V395 VanDerWaalsContact CA-O 3.32Å; I337-V395 WeakPolarHBondContact CA-O 3.41Å; R338-V395 PolarHBondContact N-O 3Å; R338-V395 PolarHBondContact O-N 3.36Å; L340-V395 HydrophobicContact CD1-CG2 4.41Å; L340-V395 HydrophobicContact CD2-CG2 3.69Å; L340-V395 HydrophobicContact CG-CG2 4.16Å; E375-V395 HydrophobicContact CB-CG1 3.56Å; E375-V395 HydrophobicContact CG-CG1 3.79Å; E375-V395 WeakPolarHBondContact OE2-CG1 3.23Å; E376-V395 WeakPolarHBondContact O-CA 3.48Å
396	K	92.5	Very high	92.2	Very high	91 Å²	91	45.3 Å²	45.3	40%	0.396	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.6	177.2	174.7	-177.5	160.1	-140.8	0	109.3	F336 I337 E375 E376 L378	F336-K396 WeakPolarHBondContact O-CA 3.3Å; I337-K396 HydrophobicContact CG1-CB 4.2Å; I337-K396 HydrophobicContact CG1-CG 4.1Å; E375-K396 CarbonylContact C-O 3.52Å; E375-K396 WeakPolarHBondContact CA-O 3.34Å; E376-K396 HydrophobicContact CB-CB 4.44Å; E376-K396 PolarHBondContact N-O 3.42Å; E376-K396 PolarHBondContact O-N 3.38Å; E376-K396 IonicContact OE2-NZ 3.42Å; E376-K396 PolarHBondContact OE2-NZ 3.31Å; L378-K396 HydrophobicContact CD1-CB 4.06Å; L378-K396 HydrophobicContact CG-CB 4.29Å
397	G	92.4	Very high	92.4	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	171.7	177.2	0	0	0	0	0	112.5	F336	F336-G397 VanDerWaalsContact CD1-O 3.3Å; F336-G397 WeakPolarHBondContact CD1-O 3.26Å; F336-G397 PolarHBondContact N-O 3.33Å; F336-G397 PolarHBondContact O-N 3.07Å
398	V	93.2	Very high	92.6	Very high	26 Å²	26	42.5 Å²	42.5	16%	0.158	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138	178.1	-176.9	0	0	0	0	109.2	M333 K334 Y372	M333-V398 HydrophobicContact CB-CG1 4.16Å; M333-V398 HydrophobicContact CG-CG1 4.35Å; M333-V398 HydrophobicContact SD-CG1 3.74Å; K334-V398 WeakPolarHBondContact O-CA 3.41Å; Y372-V398 HydrophobicContact CE1-CB 4.41Å; Y372-V398 HydrophobicContact CE1-CG1 4.01Å
399	K	92.5	Very high	92.8	Very high	79 Å²	79	33 Å²	33	34%	0.343	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.3	173.2	-66.9	178.9	176.4	175.2	0	110.6	M333 K334 F336 E443	M333-K399 CarbonylContact C-O 3.48Å; M333-K399 VanDerWaalsContact CA-O 3.31Å; M333-K399 WeakPolarHBondContact CA-O 3.45Å; K334-K399 PolarHBondContact N-O 3.22Å; K334-K399 PolarHBondContact O-N 2.88Å; F336-K399 HydrophobicContact CD1-CD 4.48Å; F336-K399 HydrophobicContact CD1-CG 4.31Å; F336-K399 HydrophobicContact CE1-CD 4.22Å; F336-K399 HydrophobicContact CE1-CG 3.89Å; K399-E443 HydrophobicContact CB-CB 4.47Å; K399-E443 HydrophobicContact CD-CB 4.4Å; K399-E443 HydrophobicContact CD-CG 4.26Å; K399-E443 WeakPolarHBondContact CD-OE1 3.49Å; K399-E443 IonicContact NZ-OE1 2.81Å; K399-E443 PolarHBondContact NZ-OE1 3.43Å
400	F	94.7	Very high	93	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.3	172.4	-64.6	-80.9	0	0	0	110	M333 F352 V355 F369 Y372 I373 F403 F441 L442 E443	M333-F400 HydrophobicContact CB-CD1 4.23Å; F352-F400 AromaticContact CE1-CD1 3.8Å; F352-F400 HydrophobicContact CE1-CD1 3.8Å; F352-F400 HydrophobicContact CE1-CE1 4.09Å; F352-F400 AromaticContact CZ-CD1 3.87Å; F352-F400 HydrophobicContact CZ-CD1 3.87Å; F352-F400 HydrophobicContact CZ-CE1 4.03Å; V355-F400 HydrophobicContact CG1-CZ 4.26Å; V355-F400 HydrophobicContact CG2-CE1 4.22Å; F369-F400 AromaticContact CD1-CE2 3.86Å; F369-F400 HydrophobicContact CD1-CE2 3.86Å; F369-F400 HydrophobicContact CD1-CZ 4.26Å; F369-F400 AromaticContact CE1-CE2 3.91Å; F369-F400 HydrophobicContact CE1-CE2 3.91Å; F369-F400 AromaticContact CE1-CZ 3.93Å; F369-F400 HydrophobicContact CE1-CZ 3.93Å; Y372-F400 AromaticContact CD1-CE2 3.77Å; Y372-F400 HydrophobicContact CD1-CE2 3.77Å; Y372-F400 AromaticContact CD1-CZ 3.55Å; Y372-F400 HydrophobicContact CD1-CZ 3.55Å; Y372-F400 HydrophobicContact CE1-CE1 4.26Å; Y372-F400 HydrophobicContact CE1-CE2 4.14Å; Y372-F400 AromaticContact CE1-CZ 3.51Å; Y372-F400 HydrophobicContact CE1-CZ 3.51Å; Y372-F400 HydrophobicContact CG-CZ 4.4Å; I373-F400 HydrophobicContact CG2-CD2 3.98Å; I373-F400 HydrophobicContact CG2-CE2 3.84Å; F400-F403 HydrophobicContact CB-CE1 4.17Å; F400-F403 HydrophobicContact CB-CE2 4Å; F400-F403 HydrophobicContact CB-CZ 3.7Å; F400-F403 HydrophobicContact CD1-CD1 4.28Å; F400-F403 AromaticContact CD1-CE1 3.49Å; F400-F403 HydrophobicContact CD1-CE1 3.49Å; F400-F403 VanDerWaalsContact CD1-CE1 3.49Å; F400-F403 AromaticContact CD1-CZ 3.8Å; F400-F403 HydrophobicContact CD1-CZ 3.8Å; F400-F403 HydrophobicContact CD2-CE1 4.16Å; F400-F403 AromaticContact CD2-CZ 3.68Å; F400-F403 HydrophobicContact CD2-CZ 3.68Å; F400-F403 AromaticContact CE1-CE1 3.83Å; F400-F403 HydrophobicContact CE1-CE1 3.83Å; F400-F403 HydrophobicContact CE1-CZ 4.34Å; F400-F403 HydrophobicContact CE2-CE1 4.45Å; F400-F403 HydrophobicContact CE2-CZ 4.24Å; F400-F403 AromaticContact CG-CE1 3.67Å; F400-F403 HydrophobicContact CG-CE1 3.67Å; F400-F403 HydrophobicContact CG-CE2 4.24Å; F400-F403 AromaticContact CG-CZ 3.43Å; F400-F403 HydrophobicContact CG-CZ 3.43Å; F400-F403 VanDerWaalsContact CG-CZ 3.43Å; F400-F403 HydrophobicContact CZ-CE1 4.3Å; F400-F441 HydrophobicContact CD2-CB 4.22Å; F400-L442 HydrophobicContact CB-CD2 4.22Å; F400-L442 WeakPolarHBondContact O-CA 3.37Å; F400-E443 PolarHBondContact O-N 2.88Å
401	L	93.2	Very high	93	Very high	35 Å²	35	27.8 Å²	27.8	18%	0.183	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-39.3	174.9	-59.4	-179	0	0	0	110.9	K332 K334 E349 E443	K332-L401 HydrophobicContact CB-CB 4.09Å; K332-L401 HydrophobicContact CB-CD1 4.46Å; K332-L401 WeakPolarHBondContact O-CB 3.19Å; K332-L401 PolarHBondContact O-N 3.38Å; K334-L401 HydrophobicContact CB-CD1 4.04Å; K334-L401 HydrophobicContact CB-CD2 4.04Å; K334-L401 HydrophobicContact CB-CG 3.99Å; K334-L401 HydrophobicContact CD-CD2 4.41Å; E349-L401 HydrophobicContact CG-CD1 3.97Å; L401-E443 HydrophobicContact CD2-CB 4.32Å; L401-E443 VanDerWaalsContact CD2-OE2 3.23Å; L401-E443 WeakPolarHBondContact CD2-OE2 3.49Å
402	K	93.6	Very high	92.8	Very high	89 Å²	89	24.6 Å²	24.6	39%	0.387	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	133.8	-177	171.7	172.3	-176.5	-161.9	0	110.4	G331 K332 E446	G331-K402 CarbonylContact C-O 3.5Å; G331-K402 VanDerWaalsContact CA-O 3.3Å; G331-K402 WeakPolarHBondContact CA-O 3.41Å; K332-K402 HydrophobicContact CB-CB 4.26Å; K332-K402 PolarHBondContact N-O 3.04Å; K332-K402 PolarHBondContact O-N 3.09Å; K402-E446 WeakPolarHBondContact CG-OE1 3.31Å
403	F	94.3	Very high	92.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.			trans	-94.3	149.3	168.5	-71	-70.6	0	0	0	111.6	F352 F369 F400 L407 L438 F441 L442 A450 Y452 R524	F352-F403 AromaticContact CZ-CD1 3.92Å; F352-F403 HydrophobicContact CZ-CD1 3.92Å; F352-F403 HydrophobicContact CZ-CE1 4.32Å; F369-F403 AromaticContact CE1-CE1 3.91Å; F369-F403 HydrophobicContact CE1-CE1 3.91Å; F369-F403 AromaticContact CE1-CZ 3.95Å; F369-F403 HydrophobicContact CE1-CZ 3.95Å; F369-F403 HydrophobicContact CZ-CE1 4.43Å; F400-F403 HydrophobicContact CB-CE1 4.17Å; F400-F403 HydrophobicContact CB-CE2 4Å; F400-F403 HydrophobicContact CB-CZ 3.7Å; F400-F403 HydrophobicContact CD1-CD1 4.28Å; F400-F403 AromaticContact CD1-CE1 3.49Å; F400-F403 HydrophobicContact CD1-CE1 3.49Å; F400-F403 VanDerWaalsContact CD1-CE1 3.49Å; F400-F403 AromaticContact CD1-CZ 3.8Å; F400-F403 HydrophobicContact CD1-CZ 3.8Å; F400-F403 HydrophobicContact CD2-CE1 4.16Å; F400-F403 AromaticContact CD2-CZ 3.68Å; F400-F403 HydrophobicContact CD2-CZ 3.68Å; F400-F403 AromaticContact CE1-CE1 3.83Å; F400-F403 HydrophobicContact CE1-CE1 3.83Å; F400-F403 HydrophobicContact CE1-CZ 4.34Å; F400-F403 HydrophobicContact CE2-CE1 4.45Å; F400-F403 HydrophobicContact CE2-CZ 4.24Å; F400-F403 AromaticContact CG-CE1 3.67Å; F400-F403 HydrophobicContact CG-CE1 3.67Å; F400-F403 HydrophobicContact CG-CE2 4.24Å; F400-F403 AromaticContact CG-CZ 3.43Å; F400-F403 HydrophobicContact CG-CZ 3.43Å; F400-F403 VanDerWaalsContact CG-CZ 3.43Å; F400-F403 HydrophobicContact CZ-CE1 4.3Å; F403-L407 HydrophobicContact CD1-CD1 4.24Å; F403-L438 HydrophobicContact CD1-CD1 4.41Å; F403-L438 HydrophobicContact CD2-CB 4.16Å; F403-L438 HydrophobicContact CE1-CD1 4.22Å; F403-L438 HydrophobicContact CE2-CB 3.76Å; F403-L438 HydrophobicContact CE2-CD1 4.34Å; F403-L438 HydrophobicContact CZ-CB 4.23Å; F403-L438 HydrophobicContact CZ-CD1 4.18Å; F403-F441 HydrophobicContact CE2-CB 4.37Å; F403-F441 HydrophobicContact CZ-CB 4.27Å; F403-L442 HydrophobicContact CD2-CD1 4.32Å; F403-L442 HydrophobicContact CD2-CD2 3.57Å; F403-L442 HydrophobicContact CD2-CG 3.85Å; F403-L442 HydrophobicContact CE2-CD2 3.79Å; F403-L442 HydrophobicContact CE2-CG 3.86Å; F403-L442 HydrophobicContact CG-CD2 4.49Å; F403-A450 HydrophobicContact CD2-CB 4.25Å; F403-Y452 HydrophobicContact CB-CE2 4.4Å; F403-Y452 WeakPolarHBondContact CB-OH 3.25Å; F403-R524 PolarHBondContact O-NH2 2.86Å
404	P	92.8	Very high	91.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.109	C	C	.	.			trans	-76.2	158	178.2	30.1	-35.3	0	0	0	112.8	F329 F352 V406 L407 Y452	F329-P404 VanDerWaalsContact C-CB 3.42Å; F329-P404 VanDerWaalsContact O-CB 3.27Å; F329-P404 WeakPolarHBondContact O-CB 3.38Å; F352-P404 HydrophobicContact CE2-CG 4.4Å; P404-V406 VanDerWaalsContact C-N 3.29Å; P404-V406 WeakPolarHBondContact CB-O 3.18Å; P404-V406 VanDerWaalsContact CG-O 3.29Å; P404-V406 WeakPolarHBondContact CG-O 3.28Å; P404-V406 PolarHBondContact O-N 3.23Å; P404-L407 HydrophobicContact CG-CB 4.37Å; P404-L407 HydrophobicContact CG-CD1 4.04Å; P404-Y452 WeakPolarHBondContact O-CE1 3.29Å; P404-Y452 PolarHBondContact O-OH 3.46Å
405	P	92.7	Very high	90.7	Very high	24 Å²	24	24.9 Å²	24.9	16%	0.156	12%	0.121	C	C	.	.	S	Bend	trans	-56.5	-38.1	170.6	-30.7	38.7	0	0	0	114.6	Q327 L328 R524	Q327-P405 WeakPolarHBondContact O-CD 3.38Å; Q327-P405 WeakPolarHBondContact O-CG 3.31Å; L328-P405 WeakPolarHBondContact O-CD 3.12Å; P405-R524 PolarHBondContact O-N 3.03Å
406	V	92.3	Very high	89.7	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.2	172.5	-173.8	0	0	0	0	108	T221 L328 F329 P404 Y522	T221-V406 HydrophobicContact CG2-CG2 4.03Å; L328-V406 PolarHBondContact O-N 3.03Å; F329-V406 HydrophobicContact CD1-CB 3.84Å; F329-V406 HydrophobicContact CD1-CG1 4.04Å; F329-V406 HydrophobicContact CE1-CB 3.68Å; F329-V406 HydrophobicContact CE1-CG1 3.56Å; F329-V406 HydrophobicContact CE1-CG2 4.32Å; P404-V406 VanDerWaalsContact C-N 3.29Å; P404-V406 WeakPolarHBondContact CB-O 3.18Å; P404-V406 VanDerWaalsContact CG-O 3.29Å; P404-V406 WeakPolarHBondContact CG-O 3.28Å; P404-V406 PolarHBondContact O-N 3.23Å; V406-Y522 WeakPolarHBondContact CA-O 3.17Å
407	L	93.8	Very high	88.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.9	-176.4	178.7	66	0	0	0	110	F352 V355 F403 P404 L409 L438 Y452 Y522	F352-L407 HydrophobicContact CE2-CD1 4.34Å; V355-L407 HydrophobicContact CG2-CD1 4.13Å; F403-L407 HydrophobicContact CD1-CD1 4.24Å; P404-L407 HydrophobicContact CG-CB 4.37Å; P404-L407 HydrophobicContact CG-CD1 4.04Å; L407-L409 HydrophobicContact CD1-CD2 4Å; L407-L409 HydrophobicContact CD2-CD1 4.46Å; L407-L409 HydrophobicContact CD2-CD2 3.91Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD2 3.76Å; L407-L409 HydrophobicContact CG-CG 4.12Å; L407-L438 HydrophobicContact CD2-CD1 3.35Å; L407-Y452 HydrophobicContact CB-CD1 4.08Å; L407-Y452 HydrophobicContact CB-CE1 3.72Å; L407-Y452 HydrophobicContact CD2-CE1 4.42Å; L407-Y522 PolarHBondContact N-O 3.02Å; L407-Y522 PolarHBondContact O-N 3.04Å
408	H	93	Very high	87.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.2	173	-70.6	-46.2	0	0	0	110.6	L305 F329 D354 V355 M519 S521	L305-H408 HydrophobicContact CD2-CB 4.37Å; L305-H408 VanDerWaalsContact CD2-CD2 3.41Å; L305-H408 WeakPolarHBondContact CD2-CD2 3.38Å; F329-H408 AromaticContact CD1-CD2 3.71Å; F329-H408 AromaticContact CD1-NE2 3.6Å; F329-H408 AromaticContact CE1-CD2 3.85Å; F329-H408 AromaticContact CE1-NE2 3.21Å; F329-H408 WeakPolarHBondContact CE1-NE2 3.49Å; D354-H408 WeakPolarHBondContact CA-O 3.41Å; D354-H408 HydrophobicContact CB-CB 4.15Å; V355-H408 PolarHBondContact N-O 3.04Å; H408-M519 HydrophobicContact CB-CE 3.82Å; H408-S521 PolarHBondContact CE1-OG 3.1Å; H408-S521 VanDerWaalsContact CE1-OG 3.23Å; H408-S521 PolarHBondContact ND1-OG 2.77Å
409	L	93.8	Very high	87.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.9	177.2	-56	179.6	0	0	0	108.6	V355 L357 I365 F369 L407 L436 M519 L520 Y522	V355-L409 HydrophobicContact CB-CD2 3.84Å; V355-L409 HydrophobicContact CG2-CD2 4.37Å; V355-L409 WeakPolarHBondContact O-CA 3.29Å; L357-L409 HydrophobicContact CD1-CB 4.19Å; L357-L409 HydrophobicContact CD1-CD1 4.08Å; L357-L409 HydrophobicContact CD1-CD2 4.19Å; L357-L409 HydrophobicContact CD1-CG 4.39Å; I365-L409 HydrophobicContact CD1-CD1 4Å; I365-L409 HydrophobicContact CG2-CD1 4.25Å; F369-L409 HydrophobicContact CE2-CD1 4.18Å; F369-L409 HydrophobicContact CE2-CD2 4.05Å; F369-L409 HydrophobicContact CZ-CD2 3.82Å; L407-L409 HydrophobicContact CD1-CD2 4Å; L407-L409 HydrophobicContact CD2-CD1 4.46Å; L407-L409 HydrophobicContact CD2-CD2 3.91Å; L407-L409 HydrophobicContact CD2-CG 4.29Å; L407-L409 HydrophobicContact CG-CD2 3.76Å; L407-L409 HydrophobicContact CG-CG 4.12Å; L409-L436 HydrophobicContact CD1-CD2 4.07Å; L409-M519 CarbonylContact O-C 3.58Å; L409-M519 WeakPolarHBondContact O-CA 3.39Å; L409-L520 HydrophobicContact CB-CB 4.33Å; L409-L520 PolarHBondContact N-O 3.04Å; L409-L520 PolarHBondContact O-N 3.02Å; L409-Y522 HydrophobicContact CD1-CD2 3.85Å; L409-Y522 HydrophobicContact CD1-CE2 3.9Å; L409-Y522 HydrophobicContact CG-CD2 4.43Å
410	Q	90.8	Very high	86.5	Confident	22 Å²	22	39 Å²	39	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.2	173.7	-70	171.4	17.5	0	0	108.5	S303 D354 V355 Q356 L357 M519	S303-Q410 PolarHBondContact OG-NE2 3.19Å; S303-Q410 VanDerWaalsContact OG-NE2 3.17Å; D354-Q410 VanDerWaalsContact CG-NE2 3.28Å; D354-Q410 PolarHBondContact OD2-NE2 3.34Å; V355-Q410 PolarHBondContact O-N 2.9Å; Q356-Q410 HydrophobicContact CG-CB 4.32Å; L357-Q410 PolarHBondContact N-O 2.88Å; Q410-M519 HydrophobicContact CG-CG 4.33Å
411	L	91.1	Very high	85.5	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.1	179	-56.5	-175.4	0	0	0	108.1	L357 V359 R413 F430 A517 Y518 L520	L357-L411 HydrophobicContact CB-CD2 4.25Å; L357-L411 HydrophobicContact CD1-CD2 4.37Å; V359-L411 HydrophobicContact CG2-CB 3.72Å; V359-L411 HydrophobicContact CG2-CD2 4.49Å; L411-R413 HydrophobicContact CB-CG 4.42Å; L411-R413 PolarHBondContact O-N 2.87Å; L411-F430 HydrophobicContact CD1-CD1 3.84Å; L411-F430 HydrophobicContact CD1-CE1 3.97Å; L411-F430 HydrophobicContact CD2-CD1 4.18Å; L411-F430 HydrophobicContact CD2-CE1 3.49Å; L411-F430 VanDerWaalsContact CD2-CE1 3.49Å; L411-F430 HydrophobicContact CD2-CZ 4.12Å; L411-F430 HydrophobicContact CG-CE1 4.36Å; L411-A517 HydrophobicContact CD1-CB 4.41Å; L411-A517 WeakPolarHBondContact CD1-O 3.41Å; L411-Y518 WeakPolarHBondContact CB-O 3.46Å; L411-Y518 PolarHBondContact N-O 3.37Å; L411-L520 HydrophobicContact CD1-CD1 4.12Å; L411-L520 HydrophobicContact CD1-CG 4.25Å; L411-L520 HydrophobicContact CD2-CD1 4.4Å
412	M	88.2	Confident	84.5	Confident	45 Å²	45	47.7 Å²	47.7	22%	0.222	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	72.5	-177.7	-63.6	-60.9	-69.6	0	0	111.1	Q356 L357	Q356-M412 HydrophobicContact CB-CG 4.28Å; Q356-M412 HydrophobicContact CB-SD 4.13Å; Q356-M412 HydrophobicContact CG-SD 4.36Å; L357-M412 WeakPolarHBondContact O-CB 3.17Å; L357-M412 WeakPolarHBondContact O-CG 3.26Å; L357-M412 PolarHBondContact O-N 3.46Å
413	R	86.4	Confident	83.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.015	24%	0.236	C	C	.	.			trans	-87	-14.2	177.8	-71.7	-164.3	177.7	-92.3	5.1	113.5	V359 L411 K425 I426 D428 Y502 N516 A517	V359-R413 HydrophobicContact CG2-CG 4.21Å; L411-R413 HydrophobicContact CB-CG 4.42Å; L411-R413 PolarHBondContact O-N 2.87Å; R413-K425 CarbonylContact O-C 3.49Å; R413-K425 WeakPolarHBondContact O-CA 3.27Å; R413-I426 PolarHBondContact NH1-O 3.16Å; R413-I426 WeakPolarHBondContact O-CB 3.34Å; R413-I426 PolarHBondContact O-N 2.78Å; R413-D428 PolarHBondContact NH1-O 3.17Å; R413-Y502 PolarHBondContact NH2-O 2.92Å; R413-N516 WeakPolarHBondContact CD-OD1 3.38Å; R413-A517 VanDerWaalsContact CD-O 3.32Å; R413-A517 WeakPolarHBondContact CD-O 3.27Å; R413-A517 PolarHBondContact NE-O 3.16Å
414	V	76.5	Confident	82.6	Confident	23 Å²	23	49.7 Å²	49.7	14%	0.139	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.8	174.2	-175.5	0	0	0	0	107.9	N423 F464	V414-N423 HydrophobicContact CG1-CB 4.03Å; V414-F464 HydrophobicContact CG1-CD2 3.89Å; V414-F464 HydrophobicContact CG1-CE2 4.14Å
415	Q	72.2	Confident	82.1	Confident	56 Å²	56	51 Å²	51	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.8	175	-68.3	-175	2.6	0	0	109.3	N358 D417 L424 I426	N358-Q415 PolarHBondContact OD1-NE2 2.89Å; Q415-D417 PolarHBondContact O-N 3.08Å; Q415-L424 PolarHBondContact N-O 3.05Å; Q415-L424 PolarHBondContact O-N 3.38Å; Q415-I426 HydrophobicContact CB-CD1 4.25Å; Q415-I426 HydrophobicContact CG-CD1 3.67Å
416	Y	72.7	Confident	81.7	Confident	126 Å²	126	50.7 Å²	50.7	49%	0.494	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.8	172.2	177.8	-105.8	0	0	0	109.5	P418 D421 N423	Y416-P418 HydrophobicContact CD1-CB 4.37Å; Y416-P418 HydrophobicContact CE1-CB 3.92Å; Y416-P418 VanDerWaalsContact O-CD 3.3Å; Y416-P418 WeakPolarHBondContact O-CD 3.46Å; Y416-D421 WeakPolarHBondContact CE2-OD1 3.36Å; Y416-D421 PolarHBondContact OH-OD1 3.05Å; Y416-N423 WeakPolarHBondContact CA-OD1 3.4Å; Y416-N423 WeakPolarHBondContact CB-OD1 3.37Å; Y416-N423 WeakPolarHBondContact CD2-OD1 3.34Å
417	D	74	Confident	81.5	Confident	32 Å²	32	52.5 Å²	52.5	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	104.9	171.7	-179.4	8.3	0	0	0	109.6	Q415 L419 N420 D421 Q422 L424	Q415-D417 PolarHBondContact O-N 3.08Å; D417-L419 PolarHBondContact O-N 2.95Å; D417-L419 WeakPolarHBondContact OD1-CB 3.41Å; D417-L419 PolarHBondContact OD1-N 3.3Å; D417-N420 PolarHBondContact O-N 3.15Å; D417-N420 PolarHBondContact OD2-ND2 2.97Å; D417-D421 PolarHBondContact O-N 3.06Å; D417-Q422 PolarHBondContact N-O 3.28Å; D417-Q422 PolarHBondContact O-N 2.99Å; D417-L424 HydrophobicContact CB-CD1 3.61Å; D417-L424 HydrophobicContact CB-CG 4.01Å
418	P	74.9	Confident	81.3	Confident	94 Å²	94	56.5 Å²	56.5	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.6	-177.7	27.6	-34.7	0	0	0	113.3	Y416	Y416-P418 HydrophobicContact CD1-CB 4.37Å; Y416-P418 HydrophobicContact CE1-CB 3.92Å; Y416-P418 VanDerWaalsContact O-CD 3.3Å; Y416-P418 WeakPolarHBondContact O-CD 3.46Å
419	L	79.7	Confident	81.3	Confident	157 Å²	157	62 Å²	62	82%	0.822	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-34.5	179.7	-64.8	174.8	0	0	0	112.3	D417	D417-L419 PolarHBondContact O-N 2.95Å; D417-L419 WeakPolarHBondContact OD1-CB 3.41Å; D417-L419 PolarHBondContact OD1-N 3.3Å
420	N	75.8	Confident	81.3	Confident	99 Å²	99	62 Å²	62	53%	0.529	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-0.4	-177.2	-67.6	-61	0	0	0	113.3	D417 Q422	D417-N420 PolarHBondContact O-N 3.15Å; D417-N420 PolarHBondContact OD2-ND2 2.97Å; N420-Q422 HydrophobicContact CB-CB 4.48Å; N420-Q422 WeakPolarHBondContact O-CG 3.37Å; N420-Q422 PolarHBondContact O-N 3.19Å; N420-Q422 PolarHBondContact O-NE2 2.82Å; N420-Q422 VanDerWaalsContact O-NE2 3.1Å
421	D	74.4	Confident	81.6	Confident	117 Å²	117	64 Å²	64	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.1	-175.3	-165.3	24.1	0	0	0	112.5	Y416 D417	Y416-D421 WeakPolarHBondContact CE2-OD1 3.36Å; Y416-D421 PolarHBondContact OH-OD1 3.05Å; D417-D421 PolarHBondContact O-N 3.06Å
422	Q	70.6	Confident	81.9	Confident	99 Å²	99	63.8 Å²	63.8	46%	0.463	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.7	-173.4	-78.8	169.2	66.3	0	0	110.8	D417 N420	D417-Q422 PolarHBondContact N-O 3.28Å; D417-Q422 PolarHBondContact O-N 2.99Å; N420-Q422 HydrophobicContact CB-CB 4.48Å; N420-Q422 WeakPolarHBondContact O-CG 3.37Å; N420-Q422 PolarHBondContact O-N 3.19Å; N420-Q422 PolarHBondContact O-NE2 2.82Å; N420-Q422 VanDerWaalsContact O-NE2 3.1Å
423	N	71	Confident	82.2	Confident	50 Å²	50	64 Å²	64	27%	0.267	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.9	169.3	-70.3	-38.1	0	0	0	109.3	V414 Y416 F464	V414-N423 HydrophobicContact CG1-CB 4.03Å; Y416-N423 WeakPolarHBondContact CA-OD1 3.4Å; Y416-N423 WeakPolarHBondContact CB-OD1 3.37Å; Y416-N423 WeakPolarHBondContact CD2-OD1 3.34Å; N423-F464 HydrophobicContact CB-CD1 3.9Å; N423-F464 HydrophobicContact CB-CD2 3.46Å; N423-F464 VanDerWaalsContact CB-CD2 3.46Å; N423-F464 HydrophobicContact CB-CE1 3.92Å; N423-F464 HydrophobicContact CB-CE2 3.48Å; N423-F464 VanDerWaalsContact CB-CE2 3.48Å; N423-F464 HydrophobicContact CB-CG 3.69Å; N423-F464 HydrophobicContact CB-CZ 3.74Å; N423-F464 WeakPolarHBondContact ND2-CE2 3.42Å; N423-F464 WeakPolarHBondContact ND2-CZ 3.34Å
424	L	77.2	Confident	82.6	Confident	81 Å²	81	66.3 Å²	66.3	42%	0.424	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135	178.8	-63.3	178.7	0	0	0	110	Q415 D417	Q415-L424 PolarHBondContact N-O 3.05Å; Q415-L424 PolarHBondContact O-N 3.38Å; D417-L424 HydrophobicContact CB-CD1 3.61Å; D417-L424 HydrophobicContact CB-CG 4.01Å
425	K	82.5	Confident	83.5	Confident	28 Å²	28	70.5 Å²	70.5	12%	0.122	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122	170	-171.5	-173.9	177.9	-173.6	0	110	R413 N427 H460 G462 C514 N516	R413-K425 CarbonylContact O-C 3.49Å; R413-K425 WeakPolarHBondContact O-CA 3.27Å; K425-N427 WeakPolarHBondContact CD-OD1 2.96Å; K425-N427 WeakPolarHBondContact CE-OD1 3.17Å; K425-N427 PolarHBondContact O-N 3.49Å; K425-H460 PolarHBondContact NZ-ND1 2.88Å; K425-H460 PolarHBondContact NZ-O 3.29Å; K425-G462 WeakPolarHBondContact CD-O 3.5Å; K425-G462 PolarHBondContact NZ-O 3.04Å; K425-C514 PolarHBondContact NZ-O 3.11Å; K425-N516 WeakPolarHBondContact CE-OD1 3.42Å
426	I	84.8	Confident	84.6	Confident	19 Å²	19	68 Å²	68	10%	0.097	34%	0.339	C	S	.	.			trans	-82.5	105.4	175.4	-59.1	170.6	0	0	0	108.4	K360 R413 Q415 D428	K360-I426 HydrophobicContact CB-CD1 4.03Å; K360-I426 HydrophobicContact CD-CD1 4.27Å; K360-I426 HydrophobicContact CG-CD1 4.38Å; R413-I426 PolarHBondContact NH1-O 3.16Å; R413-I426 WeakPolarHBondContact O-CB 3.34Å; R413-I426 PolarHBondContact O-N 2.78Å; Q415-I426 HydrophobicContact CB-CD1 4.25Å; Q415-I426 HydrophobicContact CG-CD1 3.67Å; I426-D428 VanDerWaalsContact C-N 3.33Å; I426-D428 HydrophobicContact CG2-CB 3.88Å
427	N	87.9	Confident	85.7	Confident	44 Å²	44	65.5 Å²	65.5	24%	0.235	33%	0.334	C	S	.	.			trans	-93.2	10.2	178.9	-63.6	-42.4	0	0	0	113.1	K425 G504 N516	K425-N427 WeakPolarHBondContact CD-OD1 2.96Å; K425-N427 WeakPolarHBondContact CE-OD1 3.17Å; K425-N427 PolarHBondContact O-N 3.49Å; N427-G504 PolarHBondContact O-N 3.33Å; N427-N516 PolarHBondContact OD1-ND2 2.89Å
428	D	89.7	Confident	86.7	Confident	84 Å²	84	64 Å²	64	45%	0.449	33%	0.326	S	S	.	.			trans	-56	148.7	179.4	-64	-6	0	0	0	112	R413 I426 F430	R413-D428 PolarHBondContact NH1-O 3.17Å; I426-D428 VanDerWaalsContact C-N 3.33Å; I426-D428 HydrophobicContact CG2-CB 3.88Å; D428-F430 PolarHBondContact O-N 3.07Å
429	R	93.2	Very high	87.6	Confident	115 Å²	115	61.5 Å²	61.5	43%	0.434	31%	0.308	S	S	.	.			trans	-67.3	118.4	177.9	-171.6	167.6	-179.6	-85	-8.4	110.1	E431 Y502 G503 D506	R429-E431 IonicContact CZ-OE1 3.61Å; R429-E431 IonicContact NH1-OE1 2.91Å; R429-E431 PolarHBondContact NH1-OE1 3.26Å; R429-E431 IonicContact NH2-OE1 3.94Å; R429-E431 PolarHBondContact NH2-OE1 3.41Å; R429-Y502 CarbonylContact C-O 3.58Å; R429-Y502 WeakPolarHBondContact CA-O 3.39Å; R429-G503 WeakPolarHBondContact CG-O 3.28Å; R429-D506 WeakPolarHBondContact CD-OD2 3.34Å; R429-D506 IonicContact NE-OD2 3.45Å
430	F	94.4	Very high	88.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.			trans	-134.8	114.2	-179.1	-175.1	-96.8	0	0	0	110.5	V359 K362 N364 I365 S368 L411 D428 Y502	V359-F430 HydrophobicContact CB-CD2 4.35Å; V359-F430 HydrophobicContact CG1-CB 3.73Å; V359-F430 HydrophobicContact CG1-CD2 3.8Å; V359-F430 HydrophobicContact CG1-CG 3.84Å; V359-F430 HydrophobicContact CG2-CD2 4.39Å; V359-F430 HydrophobicContact CG2-CG 4.4Å; K362-F430 HydrophobicContact CB-CD2 4.36Å; K362-F430 HydrophobicContact CB-CE2 4.02Å; N364-F430 WeakPolarHBondContact O-CE2 3.31Å; I365-F430 HydrophobicContact CG1-CE1 3.8Å; I365-F430 HydrophobicContact CG1-CZ 4.05Å; S368-F430 WeakPolarHBondContact OG-CE2 3.48Å; S368-F430 WeakPolarHBondContact OG-CZ 3.41Å; L411-F430 HydrophobicContact CD1-CD1 3.84Å; L411-F430 HydrophobicContact CD1-CE1 3.97Å; L411-F430 HydrophobicContact CD2-CD1 4.18Å; L411-F430 HydrophobicContact CD2-CE1 3.49Å; L411-F430 VanDerWaalsContact CD2-CE1 3.49Å; L411-F430 HydrophobicContact CD2-CZ 4.12Å; L411-F430 HydrophobicContact CG-CE1 4.36Å; D428-F430 PolarHBondContact O-N 3.07Å; F430-Y502 PolarHBondContact N-O 2.87Å; F430-Y502 WeakPolarHBondContact O-CA 3.26Å; F430-Y502 WeakPolarHBondContact O-CD1 3.49Å
431	E	96.2	Very high	89.1	Confident	66 Å²	66	55.2 Å²	55.2	31%	0.308	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-88.5	138.2	-173.4	-60.3	-179.7	172.4	0	0	112.3	K363 N364 I365 R429 Y502	K363-E431 PolarHBondContact O-N 3.31Å; N364-E431 WeakPolarHBondContact CA-O 3.26Å; N364-E431 HydrophobicContact CB-CB 4.16Å; I365-E431 PolarHBondContact N-O 3.29Å; R429-E431 IonicContact CZ-OE1 3.61Å; R429-E431 IonicContact NH1-OE1 2.91Å; R429-E431 PolarHBondContact NH1-OE1 3.26Å; R429-E431 IonicContact NH2-OE1 3.94Å; R429-E431 PolarHBondContact NH2-OE1 3.41Å; E431-Y502 HydrophobicContact CB-CD1 4.42Å; E431-Y502 HydrophobicContact CB-CE1 4.28Å; E431-Y502 HydrophobicContact CB-CE2 4.39Å; E431-Y502 HydrophobicContact CG-CD2 3.92Å; E431-Y502 HydrophobicContact CG-CE2 4Å; E431-Y502 HydrophobicContact CG-CG 4.21Å
432	F	96.8	Very high	89.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.			trans	-132.6	120.2	174.8	47.4	-91.3	0	0	0	110.2	I365 L454 V457 I498 N501 Y502 A517 L520	I365-F432 HydrophobicContact CD1-CB 3.45Å; I365-F432 VanDerWaalsContact CD1-CB 3.45Å; I365-F432 HydrophobicContact CG1-CB 3.92Å; F432-L454 HydrophobicContact CD2-CD2 4.06Å; F432-L454 HydrophobicContact CE2-CD2 4.28Å; F432-V457 HydrophobicContact CE2-CG1 3.87Å; F432-V457 HydrophobicContact CE2-CG2 3.87Å; F432-V457 HydrophobicContact CZ-CG1 3.77Å; F432-I498 HydrophobicContact CD2-CG2 3.97Å; F432-I498 HydrophobicContact CE2-CB 4.28Å; F432-I498 HydrophobicContact CE2-CG2 3.78Å; F432-I498 WeakPolarHBondContact CZ-O 3.45Å; F432-I498 WeakPolarHBondContact O-CG2 3.45Å; F432-N501 HydrophobicContact CZ-CB 3.95Å; F432-Y502 AromaticContact CD1-CD1 3.78Å; F432-Y502 HydrophobicContact CD1-CD1 3.78Å; F432-Y502 HydrophobicContact CD1-CE1 4.01Å; F432-Y502 HydrophobicContact CD2-CE1 4.24Å; F432-Y502 AromaticContact CE1-CD1 3.59Å; F432-Y502 HydrophobicContact CE1-CD1 3.59Å; F432-Y502 HydrophobicContact CE1-CE1 4.06Å; F432-Y502 HydrophobicContact CE2-CE1 4.29Å; F432-Y502 HydrophobicContact CG-CD1 4.34Å; F432-Y502 HydrophobicContact CG-CE1 4.1Å; F432-Y502 AromaticContact CZ-CD1 3.99Å; F432-Y502 HydrophobicContact CZ-CD1 3.99Å; F432-Y502 HydrophobicContact CZ-CE1 4.19Å; F432-A517 HydrophobicContact CE1-CB 3.58Å; F432-A517 HydrophobicContact CZ-CB 3.72Å; F432-L520 HydrophobicContact CB-CD1 3.46Å; F432-L520 VanDerWaalsContact CB-CD1 3.46Å; F432-L520 HydrophobicContact CD1-CD1 4.05Å; F432-L520 HydrophobicContact CD1-CD2 4.24Å; F432-L520 HydrophobicContact CD2-CD1 4.13Å; F432-L520 HydrophobicContact CD2-CD2 3.8Å; F432-L520 HydrophobicContact CE1-CD2 4.32Å; F432-L520 HydrophobicContact CE2-CD2 3.89Å; F432-L520 HydrophobicContact CG-CD1 3.63Å; F432-L520 HydrophobicContact CG-CD2 3.99Å; F432-L520 HydrophobicContact CG-CG 4.49Å; F432-L520 HydrophobicContact CZ-CD2 4.16Å
433	P	95.7	Very high	90.8	Very high	50 Å²	50	49.8 Å²	49.8	33%	0.325	24%	0.242	S	C	.	.			trans	-78.5	153.8	-174.2	32.7	-36.5	0	0	0	111.7	K435 L436 Y522	P433-K435 VanDerWaalsContact C-N 3.26Å; P433-K435 WeakPolarHBondContact CB-O 3.29Å; P433-K435 WeakPolarHBondContact CG-O 3.22Å; P433-K435 PolarHBondContact O-N 2.91Å; P433-L436 HydrophobicContact CG-CB 4.39Å; P433-L436 HydrophobicContact CG-CD1 4.07Å; P433-Y522 WeakPolarHBondContact O-CE1 2.98Å; P433-Y522 PolarHBondContact O-OH 3.01Å
434	E	94.4	Very high	91.6	Very high	53 Å²	53	51 Å²	51	25%	0.248	26%	0.255	C	S	.	.	S	Bend	trans	-61.4	-37.7	170.5	178.9	-174.5	-143.2	0	0	111.9	T453 L454 K494 I498	E434-T453 CarbonylContact O-C 3.53Å; E434-T453 WeakPolarHBondContact O-CA 3.39Å; E434-L454 PolarHBondContact O-N 3.4Å; E434-K494 VanDerWaalsContact CD-CE 3.42Å; E434-K494 VanDerWaalsContact CD-NZ 3.34Å; E434-K494 IonicContact OE1-NZ 2.86Å; E434-K494 WeakPolarHBondContact OE2-CE 3.47Å; E434-K494 IonicContact OE2-NZ 3.73Å; E434-K494 PolarHBondContact OE2-NZ 3.3Å; E434-I498 HydrophobicContact CB-CD1 4.04Å
435	K	95	Very high	92	Very high	111 Å²	111	57.9 Å²	57.9	48%	0.483	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.5	177.5	-68.4	-64.4	-164.3	167.9	0	109.1	P433 Y452 T453 D525	P433-K435 VanDerWaalsContact C-N 3.26Å; P433-K435 WeakPolarHBondContact CB-O 3.29Å; P433-K435 WeakPolarHBondContact CG-O 3.22Å; P433-K435 PolarHBondContact O-N 2.91Å; K435-Y452 WeakPolarHBondContact CA-O 3.33Å; K435-T453 PolarHBondContact NZ-OG1 3.26Å; K435-D525 IonicContact NZ-OD1 3.6Å; K435-D525 PolarHBondContact NZ-OD1 3.44Å; K435-D525 IonicContact NZ-OD2 3.68Å; K435-D525 PolarHBondContact NZ-OD2 2.8Å
436	L	96	Very high	92.2	Very high	4 Å²	4	59 Å²	59	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.3	-177.9	-178.8	66.4	0	0	0	109.4	I365 L366 L409 P433 L438 K451 Y452 Y522	I365-L436 HydrophobicContact CB-CD1 4.33Å; I365-L436 HydrophobicContact CD1-CD2 4.46Å; I365-L436 HydrophobicContact CG2-CD1 3.78Å; I365-L436 HydrophobicContact CG2-CD2 4.05Å; L366-L436 HydrophobicContact CD2-CD1 3.95Å; L409-L436 HydrophobicContact CD1-CD2 4.07Å; P433-L436 HydrophobicContact CG-CB 4.39Å; P433-L436 HydrophobicContact CG-CD1 4.07Å; L436-L438 HydrophobicContact CD1-CD2 4.07Å; L436-L438 HydrophobicContact CD2-CD1 3.98Å; L436-L438 HydrophobicContact CD2-CD2 3.97Å; L436-L438 HydrophobicContact CD2-CG 3.99Å; L436-L438 HydrophobicContact CG-CD1 4.43Å; L436-L438 HydrophobicContact CG-CD2 3.89Å; L436-L438 HydrophobicContact CG-CG 3.92Å; L436-K451 WeakPolarHBondContact O-CA 3.43Å; L436-Y452 PolarHBondContact N-O 3.24Å; L436-Y452 PolarHBondContact O-N 3.11Å; L436-Y522 HydrophobicContact CB-CD1 3.95Å; L436-Y522 HydrophobicContact CB-CE1 3.59Å; L436-Y522 HydrophobicContact CD2-CD1 4.27Å; L436-Y522 HydrophobicContact CD2-CD2 4.28Å; L436-Y522 HydrophobicContact CD2-CE1 4.16Å; L436-Y522 HydrophobicContact CD2-CE2 4.15Å; L436-Y522 HydrophobicContact CD2-CG 4.33Å
437	D	96.1	Very high	92.2	Very high	72 Å²	72	67.8 Å²	67.8	39%	0.385	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.6	175.1	-164.9	-23.7	0	0	0	108.6	D439 K451	D437-D439 WeakPolarHBondContact OD1-CB 3.44Å; D437-D439 PolarHBondContact OD1-N 3.2Å; D437-D439 VanDerWaalsContact OD1-N 3.11Å; D437-K451 VanDerWaalsContact OD2-CE 3.27Å; D437-K451 WeakPolarHBondContact OD2-CE 3.4Å
438	L	95.4	Very high	92.1	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.324	C	S	.	.			trans	-111.8	8.2	-179.1	-62.9	177.6	0	0	0	112.9	F369 F403 L407 L436 E440 F441 A450 Y452	F369-L438 HydrophobicContact CD1-CD2 4.4Å; F369-L438 HydrophobicContact CD2-CD2 3.95Å; F369-L438 HydrophobicContact CE1-CD1 4.47Å; F369-L438 HydrophobicContact CE1-CD2 4.27Å; F369-L438 HydrophobicContact CE2-CD1 4.39Å; F369-L438 HydrophobicContact CE2-CD2 3.79Å; F369-L438 HydrophobicContact CG-CD2 4.24Å; F369-L438 HydrophobicContact CZ-CD1 3.96Å; F369-L438 HydrophobicContact CZ-CD2 3.96Å; F403-L438 HydrophobicContact CD1-CD1 4.41Å; F403-L438 HydrophobicContact CD2-CB 4.16Å; F403-L438 HydrophobicContact CE1-CD1 4.22Å; F403-L438 HydrophobicContact CE2-CB 3.76Å; F403-L438 HydrophobicContact CE2-CD1 4.34Å; F403-L438 HydrophobicContact CZ-CB 4.23Å; F403-L438 HydrophobicContact CZ-CD1 4.18Å; L407-L438 HydrophobicContact CD2-CD1 3.35Å; L436-L438 HydrophobicContact CD1-CD2 4.07Å; L436-L438 HydrophobicContact CD2-CD1 3.98Å; L436-L438 HydrophobicContact CD2-CD2 3.97Å; L436-L438 HydrophobicContact CD2-CG 3.99Å; L436-L438 HydrophobicContact CG-CD1 4.43Å; L436-L438 HydrophobicContact CG-CD2 3.89Å; L436-L438 HydrophobicContact CG-CG 3.92Å; L438-E440 PolarHBondContact O-N 3.4Å; L438-E440 VanDerWaalsContact O-N 3.13Å; L438-F441 HydrophobicContact CB-CD2 4.28Å; L438-F441 HydrophobicContact CD2-CD2 3.71Å; L438-F441 HydrophobicContact CD2-CE2 3.89Å; L438-F441 PolarHBondContact O-N 3.45Å; L438-A450 HydrophobicContact CB-CB 4.32Å; L438-A450 PolarHBondContact N-O 3.08Å; L438-Y452 HydrophobicContact CD1-CD2 4.26Å; L438-Y452 HydrophobicContact CD1-CE2 4.28Å
439	D	92.5	Very high	92.2	Very high	43 Å²	43	67.4 Å²	67.4	23%	0.23	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.6	-179.1	-88.3	-16.1	0	0	0	112.2	D437 F441 A450	D437-D439 WeakPolarHBondContact OD1-CB 3.44Å; D437-D439 PolarHBondContact OD1-N 3.2Å; D437-D439 VanDerWaalsContact OD1-N 3.11Å; D439-F441 PolarHBondContact O-N 3.01Å; D439-A450 WeakPolarHBondContact OD1-CA 3.37Å; D439-A450 VanDerWaalsContact OD1-CB 3.22Å; D439-A450 WeakPolarHBondContact OD1-CB 3.13Å; D439-A450 PolarHBondContact OD1-N 3.32Å
440	E	93.1	Very high	92.2	Very high	114 Å²	114	62 Å²	62	53%	0.533	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.2	-19.2	178.7	70.6	173.4	168.7	0	0	114.2	R370 L438	R370-E440 IonicContact CZ-OE1 3.22Å; R370-E440 IonicContact NH2-OE1 2.62Å; R370-E440 PolarHBondContact NH2-OE1 3.13Å; R370-E440 VanDerWaalsContact NH2-OE1 3.14Å; L438-E440 PolarHBondContact O-N 3.4Å; L438-E440 VanDerWaalsContact O-N 3.13Å
441	F	93.5	Very high	92.3	Very high	10 Å²	10	66.7 Å²	66.7	4%	0.044	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-98	-5.3	-176.1	-57.3	-71.3	0	0	0	113.9	L366 F369 R370 I373 F400 F403 L438 D439	L366-F441 HydrophobicContact CD2-CE2 3.84Å; L366-F441 HydrophobicContact CD2-CZ 4.26Å; F369-F441 HydrophobicContact CB-CD1 3.91Å; F369-F441 HydrophobicContact CB-CD2 4.06Å; F369-F441 HydrophobicContact CB-CE1 3.52Å; F369-F441 HydrophobicContact CB-CE2 3.69Å; F369-F441 HydrophobicContact CB-CG 4.17Å; F369-F441 HydrophobicContact CB-CZ 3.41Å; F369-F441 VanDerWaalsContact CB-CZ 3.41Å; F369-F441 HydrophobicContact CD1-CD2 4.24Å; F369-F441 HydrophobicContact CD1-CG 4.22Å; F369-F441 HydrophobicContact CG-CD2 4.24Å; F369-F441 HydrophobicContact CG-CE2 4.17Å; F369-F441 HydrophobicContact CG-CG 4.49Å; F369-F441 HydrophobicContact CG-CZ 4.37Å; R370-F441 HydrophobicContact CG-CE1 3.8Å; R370-F441 HydrophobicContact CG-CZ 4.16Å; I373-F441 HydrophobicContact CD1-CD1 3.81Å; I373-F441 HydrophobicContact CD1-CE1 4.31Å; I373-F441 HydrophobicContact CG1-CD1 4.22Å; I373-F441 HydrophobicContact CG2-CD1 4.45Å; F400-F441 HydrophobicContact CD2-CB 4.22Å; F403-F441 HydrophobicContact CE2-CB 4.37Å; F403-F441 HydrophobicContact CZ-CB 4.27Å; L438-F441 HydrophobicContact CB-CD2 4.28Å; L438-F441 HydrophobicContact CD2-CD2 3.71Å; L438-F441 HydrophobicContact CD2-CE2 3.89Å; L438-F441 PolarHBondContact O-N 3.45Å; D439-F441 PolarHBondContact O-N 3.01Å
442	L	92.5	Very high	92.2	Very high	19 Å²	19	63.6 Å²	63.6	10%	0.099	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-82.4	136.7	177.1	-73.9	171.7	0	0	0	111.3	F400 F403 S444 E446 A450	F400-L442 HydrophobicContact CB-CD2 4.22Å; F400-L442 WeakPolarHBondContact O-CA 3.37Å; F403-L442 HydrophobicContact CD2-CD1 4.32Å; F403-L442 HydrophobicContact CD2-CD2 3.57Å; F403-L442 HydrophobicContact CD2-CG 3.85Å; F403-L442 HydrophobicContact CE2-CD2 3.79Å; F403-L442 HydrophobicContact CE2-CG 3.86Å; F403-L442 HydrophobicContact CG-CD2 4.49Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.11Å; L442-E446 HydrophobicContact CD1-CG 4.05Å; L442-A450 HydrophobicContact CD1-CB 3.83Å
443	E	89.2	Confident	92.1	Very high	83 Å²	83	63.8 Å²	63.8	39%	0.388	31%	0.312	S	S	.	.	S	Bend	trans	-63.2	-35.9	174.7	-179.8	162.2	-126.2	0	0	112.1	K399 F400 L401	K399-E443 HydrophobicContact CB-CB 4.47Å; K399-E443 HydrophobicContact CD-CB 4.4Å; K399-E443 HydrophobicContact CD-CG 4.26Å; K399-E443 WeakPolarHBondContact CD-OE1 3.49Å; K399-E443 IonicContact NZ-OE1 2.81Å; K399-E443 PolarHBondContact NZ-OE1 3.43Å; F400-E443 PolarHBondContact O-N 2.88Å; L401-E443 HydrophobicContact CD2-CB 4.32Å; L401-E443 VanDerWaalsContact CD2-OE2 3.23Å; L401-E443 WeakPolarHBondContact CD2-OE2 3.49Å
444	S	88.4	Confident	92.2	Very high	76 Å²	76	61.5 Å²	61.5	53%	0.531	30%	0.297	S	S	.	.	S	Bend	trans	-138.1	140.3	174.9	58.7	0	0	0	0	110.2	L442 E446	L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.11Å; S444-E446 PolarHBondContact O-N 2.79Å
445	R	85.7	Confident	92.1	Very high	225 Å²	225	59.1 Å²	59.1	85%	0.849	29%	0.286	S	S	*	.			trans	-60.6	129	176.5	-69.9	-175.2	176.9	178.1	-1.3	110.7
446	E	86	Confident	92.2	Very high	50 Å²	50	53.8 Å²	53.8	23%	0.234	26%	0.263	C	S	.	.			trans	-76.5	167.5	172	-67	-165.5	91.5	0	0	111.6	K402 L442 S444 T448 R524	K402-E446 WeakPolarHBondContact CG-OE1 3.31Å; L442-E446 HydrophobicContact CD1-CG 4.05Å; S444-E446 PolarHBondContact O-N 2.79Å; E446-T448 PolarHBondContact O-N 2.94Å; E446-R524 IonicContact OE1-NH1 3.65Å; E446-R524 IonicContact OE2-CZ 3.9Å; E446-R524 IonicContact OE2-NH1 3.13Å; E446-R524 PolarHBondContact OE2-NH1 3.07Å; E446-R524 IonicContact OE2-NH2 2.71Å; E446-R524 PolarHBondContact OE2-NH2 2.66Å
447	E	83.6	Confident	92.2	Very high	204 Å²	204	53.6 Å²	53.6	95%	0.953	26%	0.262	S	S	*	.	S	Bend	trans	-59.8	-34.7	176.5	-64	-178.6	173.5	0	0	112.8
448	T	87.8	Confident	92.1	Very high	49 Å²	49	50.2 Å²	50.2	30%	0.301	24%	0.244	S	C	.	.	S	Bend	trans	-111.6	135	175.3	63.9	0	0	0	0	109.8	E446 A450 R524	E446-T448 PolarHBondContact O-N 2.94Å; T448-A450 PolarHBondContact O-N 3.48Å; T448-R524 PolarHBondContact OG1-NH1 3.12Å
449	P	91.5	Very high	92	Very high	72 Å²	72	50.2 Å²	50.2	47%	0.468	24%	0.244	S	C	.	.			trans	-53.3	137.3	174.6	-25.9	34.1	0	0	0	112.1	K451	P449-K451 HydrophobicContact CB-CD 4.26Å; P449-K451 HydrophobicContact CB-CG 4.05Å; P449-K451 PolarHBondContact O-N 3.03Å
450	A	93.2	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.			trans	-77.4	50.7	174.3	0	0	0	0	0	111.2	F403 L438 D439 L442 T448 Y452	F403-A450 HydrophobicContact CD2-CB 4.25Å; L438-A450 HydrophobicContact CB-CB 4.32Å; L438-A450 PolarHBondContact N-O 3.08Å; D439-A450 WeakPolarHBondContact OD1-CA 3.37Å; D439-A450 VanDerWaalsContact OD1-CB 3.22Å; D439-A450 WeakPolarHBondContact OD1-CB 3.13Å; D439-A450 PolarHBondContact OD1-N 3.32Å; L442-A450 HydrophobicContact CD1-CB 3.83Å; T448-A450 PolarHBondContact O-N 3.48Å; A450-Y452 HydrophobicContact CB-CE2 4.12Å; A450-Y452 VanDerWaalsContact O-CD2 3.3Å; A450-Y452 WeakPolarHBondContact O-CD2 3.45Å
451	K	95.1	Very high	91.4	Very high	99 Å²	99	45.2 Å²	45.2	43%	0.43	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.2	173.4	-66.2	-176.3	178.5	-174.8	0	109.8	L436 D437 P449 R524 D525	L436-K451 WeakPolarHBondContact O-CA 3.43Å; D437-K451 VanDerWaalsContact OD2-CE 3.27Å; D437-K451 WeakPolarHBondContact OD2-CE 3.4Å; P449-K451 HydrophobicContact CB-CD 4.26Å; P449-K451 HydrophobicContact CB-CG 4.05Å; P449-K451 PolarHBondContact O-N 3.03Å; K451-R524 WeakPolarHBondContact O-CA 3.27Å; K451-D525 PolarHBondContact O-N 3.27Å
452	Y	95.3	Very high	90.6	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.4	-173.7	-71.1	-99.7	0	0	0	112.1	F403 P404 L407 K435 L436 L438 A450 I523 R524	F403-Y452 HydrophobicContact CB-CE2 4.4Å; F403-Y452 WeakPolarHBondContact CB-OH 3.25Å; P404-Y452 WeakPolarHBondContact O-CE1 3.29Å; P404-Y452 PolarHBondContact O-OH 3.46Å; L407-Y452 HydrophobicContact CB-CD1 4.08Å; L407-Y452 HydrophobicContact CB-CE1 3.72Å; L407-Y452 HydrophobicContact CD2-CE1 4.42Å; K435-Y452 WeakPolarHBondContact CA-O 3.33Å; L436-Y452 PolarHBondContact N-O 3.24Å; L436-Y452 PolarHBondContact O-N 3.11Å; L438-Y452 HydrophobicContact CD1-CD2 4.26Å; L438-Y452 HydrophobicContact CD1-CE2 4.28Å; A450-Y452 HydrophobicContact CB-CE2 4.12Å; A450-Y452 VanDerWaalsContact O-CD2 3.3Å; A450-Y452 WeakPolarHBondContact O-CD2 3.45Å; Y452-I523 CarbonylContact C-O 3.56Å; Y452-I523 WeakPolarHBondContact CA-O 3.45Å; Y452-I523 VanDerWaalsContact CD1-C 3.47Å; Y452-R524 HydrophobicContact CD1-CB 4.07Å; Y452-R524 VanDerWaalsContact CD1-N 3.29Å; Y452-R524 HydrophobicContact CE1-CB 3.7Å; Y452-R524 HydrophobicContact CE1-CG 4.41Å; Y452-R524 PolarHBondContact OH-NE 2.83Å; Y452-R524 PolarHBondContact OH-NH2 3.01Å
453	T	95.1	Very high	89.6	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	168.7	-57.2	0	0	0	0	110.1	E434 K435 H455 Y522 I523 D525 M528	E434-T453 CarbonylContact O-C 3.53Å; E434-T453 WeakPolarHBondContact O-CA 3.39Å; K435-T453 PolarHBondContact NZ-OG1 3.26Å; T453-H455 PolarHBondContact O-N 2.89Å; T453-Y522 WeakPolarHBondContact O-CA 3.48Å; T453-I523 PolarHBondContact N-O 3.39Å; T453-I523 PolarHBondContact O-N 2.84Å; T453-D525 PolarHBondContact N-OD1 3.33Å; T453-D525 PolarHBondContact OG1-OD1 3.21Å; T453-M528 HydrophobicContact CG2-CE 3.74Å
454	L	96	Very high	88.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.3	174.1	-173.5	69.3	0	0	0	110	F432 E434 V457 W481 I498 L520 Y522	F432-L454 HydrophobicContact CD2-CD2 4.06Å; F432-L454 HydrophobicContact CE2-CD2 4.28Å; E434-L454 PolarHBondContact O-N 3.4Å; L454-V457 HydrophobicContact CD1-CG2 4.09Å; L454-V457 HydrophobicContact CD2-CG2 3.62Å; L454-V457 HydrophobicContact CG-CG2 4.05Å; L454-W481 HydrophobicContact CB-CH2 4.48Å; L454-W481 HydrophobicContact CD2-CH2 3.86Å; L454-W481 HydrophobicContact CD2-CZ2 4.12Å; L454-W481 HydrophobicContact CG-CH2 3.87Å; L454-W481 HydrophobicContact CG-CZ2 4.37Å; L454-I498 HydrophobicContact CD2-CD1 3.73Å; L454-I498 HydrophobicContact CD2-CG1 3.79Å; L454-L520 HydrophobicContact CD1-CB 4.22Å; L454-L520 HydrophobicContact CD1-CD2 4.28Å; L454-Y522 HydrophobicContact CB-CD1 4.11Å; L454-Y522 HydrophobicContact CB-CE1 3.66Å; L454-Y522 HydrophobicContact CD1-CD1 4.34Å; L454-Y522 HydrophobicContact CD1-CD2 4.04Å; L454-Y522 HydrophobicContact CD1-CE1 3.87Å; L454-Y522 HydrophobicContact CD1-CE2 3.54Å; L454-Y522 HydrophobicContact CD1-CG 4.42Å; L454-Y522 VanDerWaalsContact CD1-CZ 3.45Å; L454-Y522 HydrophobicContact CG-CE1 4.34Å
455	H	94.2	Very high	87.3	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-41.7	-177	179.3	64.4	0	0	0	112.4	T453 I473 S474 S521 I523	T453-H455 PolarHBondContact O-N 2.89Å; H455-I473 WeakPolarHBondContact O-CA 3.28Å; H455-S474 PolarHBondContact CE1-O 3.12Å; H455-S474 PolarHBondContact ND1-O 3.03Å; H455-S474 VanDerWaalsContact ND1-O 3.08Å; H455-S474 PolarHBondContact O-N 3.3Å; H455-S521 WeakPolarHBondContact CA-O 3.24Å; H455-S521 WeakPolarHBondContact CB-O 3.37Å; H455-S521 PolarHBondContact N-O 3.13Å; H455-I523 HydrophobicContact CB-CD1 3.73Å; H455-I523 HydrophobicContact CB-CG1 3.8Å; H455-I523 VanDerWaalsContact CG-CD1 3.43Å
456	A	95.5	Very high	86.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.8	179	0	0	0	0	0	112.4	T217 L458 V471 Y472 I473 S521	T217-A456 HydrophobicContact CG2-CB 3.82Å; A456-L458 HydrophobicContact CB-CD1 4.47Å; A456-V471 HydrophobicContact CB-CG2 4.27Å; A456-Y472 CarbonylContact C-O 3.58Å; A456-Y472 WeakPolarHBondContact CA-O 3.36Å; A456-I473 HydrophobicContact CB-CG1 4.01Å; A456-S521 PolarHBondContact N-O 2.86Å; A456-S521 VanDerWaalsContact N-O 3.14Å; A456-S521 PolarHBondContact O-N 2.9Å
457	V	96.4	Very high	85.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109	176.3	-175.7	0	0	0	0	107.6	F432 L454 V459 V471 Y472 W481 N501 A517 L520	F432-V457 HydrophobicContact CE2-CG1 3.87Å; F432-V457 HydrophobicContact CE2-CG2 3.87Å; F432-V457 HydrophobicContact CZ-CG1 3.77Å; L454-V457 HydrophobicContact CD1-CG2 4.09Å; L454-V457 HydrophobicContact CD2-CG2 3.62Å; L454-V457 HydrophobicContact CG-CG2 4.05Å; V457-V459 HydrophobicContact CG1-CG2 3.85Å; V457-V471 WeakPolarHBondContact O-CA 3.5Å; V457-Y472 PolarHBondContact N-O 2.96Å; V457-Y472 PolarHBondContact O-N 3.16Å; V457-W481 HydrophobicContact CG2-CH2 4.22Å; V457-W481 HydrophobicContact CG2-CZ3 4.22Å; V457-N501 HydrophobicContact CG1-CB 4.41Å; V457-A517 HydrophobicContact CG1-CB 3.59Å; V457-L520 HydrophobicContact CB-CD2 4.23Å; V457-L520 HydrophobicContact CG1-CD2 3.8Å; V457-L520 HydrophobicContact CG2-CD2 4.08Å
458	L	94	Very high	85.9	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.7	176.8	-62.7	77.5	0	0	0	108.5	L214 A456 V471 A517 Y518 M519	L214-L458 HydrophobicContact CD1-CD2 4.47Å; A456-L458 HydrophobicContact CB-CD1 4.47Å; L458-V471 HydrophobicContact CD1-CG2 4.14Å; L458-V471 HydrophobicContact CG-CB 4.34Å; L458-V471 HydrophobicContact CG-CG2 3.81Å; L458-A517 CarbonylContact O-C 2.88Å; L458-A517 VanDerWaalsContact O-CA 3.27Å; L458-A517 WeakPolarHBondContact O-CA 3.38Å; L458-Y518 VanDerWaalsContact C-CE1 3.49Å; L458-Y518 HydrophobicContact CB-CD1 4.38Å; L458-Y518 HydrophobicContact CB-CE1 3.68Å; L458-Y518 HydrophobicContact CB-CE2 4.06Å; L458-Y518 HydrophobicContact CD2-CE2 4.31Å; L458-Y518 WeakPolarHBondContact CD2-OH 3.46Å; L458-Y518 VanDerWaalsContact O-CD1 3.3Å; L458-Y518 WeakPolarHBondContact O-CD1 3.33Å; L458-Y518 PolarHBondContact O-N 3.44Å; L458-M519 HydrophobicContact CB-CB 4.11Å; L458-M519 HydrophobicContact CD1-CB 4.17Å; L458-M519 HydrophobicContact CD1-CG 4.1Å; L458-M519 HydrophobicContact CD1-SD 4.24Å; L458-M519 HydrophobicContact CD2-CB 4.37Å; L458-M519 HydrophobicContact CD2-SD 3.88Å; L458-M519 HydrophobicContact CG-CB 4.44Å; L458-M519 PolarHBondContact N-O 3.4Å; L458-M519 PolarHBondContact O-N 3.07Å
459	V	92.5	Very high	85.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.9	-168.4	177.1	0	0	0	0	109.8	V457 Y469 V470 Y472 N501 T515 N516 A517	V457-V459 HydrophobicContact CG1-CG2 3.85Å; V459-Y469 WeakPolarHBondContact O-CA 3.39Å; V459-V470 HydrophobicContact CB-CG2 3.83Å; V459-V470 HydrophobicContact CG1-CG2 4.19Å; V459-V470 PolarHBondContact N-O 3.04Å; V459-V470 PolarHBondContact O-N 2.89Å; V459-Y472 HydrophobicContact CB-CE2 4.25Å; V459-Y472 HydrophobicContact CG2-CD2 3.74Å; V459-Y472 HydrophobicContact CG2-CE2 3.76Å; V459-N501 HydrophobicContact CG2-CB 4.07Å; V459-T515 HydrophobicContact CG1-CG2 3.49Å; V459-T515 VanDerWaalsContact CG1-CG2 3.49Å; V459-N516 WeakPolarHBondContact CA-O 3.12Å; V459-A517 HydrophobicContact CG2-CB 4.46Å
460	H	88.3	Confident	85.9	Confident	17 Å²	17	28.7 Å²	28.7	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	175.3	179.4	-126.6	0	0	0	109.4	K425 D463 G467 Y469 N516 Y518	K425-H460 PolarHBondContact NZ-ND1 2.88Å; K425-H460 PolarHBondContact NZ-O 3.29Å; H460-D463 PolarHBondContact CE1-O 3.34Å; H460-D463 VanDerWaalsContact CE1-O 3.24Å; H460-G467 WeakPolarHBondContact NE2-CA 3.42Å; H460-Y469 HydrophobicContact CB-CD1 4.05Å; H460-Y469 HydrophobicContact CB-CE1 3.94Å; H460-Y469 AromaticContact CD2-CD1 3.79Å; H460-Y469 AromaticContact CD2-CD2 3.67Å; H460-Y469 AromaticContact CD2-CE1 3.51Å; H460-Y469 AromaticContact CD2-CE2 3.42Å; H460-Y469 VanDerWaalsContact CD2-CE2 3.42Å; H460-Y469 WeakPolarHBondContact CD2-CE2 3.33Å; H460-Y469 AromaticContact CD2-CG 3.89Å; H460-Y469 AromaticContact CD2-CZ 3.34Å; H460-Y469 AromaticContact CG-CE1 3.79Å; H460-Y469 AromaticContact CG-CZ 3.95Å; H460-Y469 AromaticContact NE2-CE2 3.59Å; H460-Y469 AromaticContact NE2-CZ 3.62Å; H460-N516 PolarHBondContact N-O 3.11Å; H460-N516 PolarHBondContact O-N 3.37Å; H460-N516 VanDerWaalsContact O-N 3.17Å; H460-Y518 HydrophobicContact CB-CD1 3.66Å; H460-Y518 HydrophobicContact CB-CE1 4.08Å
461	S	85.6	Confident	86	Confident	34 Å²	34	28.8 Å²	28.8	24%	0.238	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.3	174.3	-56.9	0	0	0	0	109.5	G467 H468 T515	S461-G467 CarbonylContact O-C 3.32Å; S461-G467 WeakPolarHBondContact O-CA 3.48Å; S461-H468 PolarHBondContact N-O 3.47Å; S461-H468 PolarHBondContact O-N 3.39Å; S461-T515 WeakPolarHBondContact CB-OG1 3.48Å; S461-T515 VanDerWaalsContact OG-CG2 3.24Å; S461-T515 WeakPolarHBondContact OG-CG2 3.46Å; S461-T515 PolarHBondContact OG-OG1 3.11Å
462	G	77.5	Confident	86.1	Confident	21 Å²	21	25.3 Å²	25.3	22%	0.216	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-167.9	-178	0	0	0	0	0	112.7	K425 G466 C514	K425-G462 WeakPolarHBondContact CD-O 3.5Å; K425-G462 PolarHBondContact NZ-O 3.04Å; G462-G466 WeakPolarHBondContact CA-O 3.5Å; G462-C514 PolarHBondContact N-O 3.36Å; G462-C514 VanDerWaalsContact N-O 3.15Å
463	D	69.8	Low	86.1	Confident	85 Å²	85	25.2 Å²	25.2	46%	0.455	14%	0.141	S	C	.	.			trans	-105.4	-166.3	-179.9	67.7	18.9	0	0	0	111.2	H460 H465 G466	H460-D463 PolarHBondContact CE1-O 3.34Å; H460-D463 VanDerWaalsContact CE1-O 3.24Å; D463-H465 WeakPolarHBondContact OD1-CA 3.29Å; D463-H465 PolarHBondContact OD1-N 2.85Å; D463-G466 PolarHBondContact N-O 2.81Å; D463-G466 PolarHBondContact OD1-N 3.31Å
464	F	66.2	Low	86	Confident	62 Å²	62	25 Å²	25	27%	0.272	14%	0.14	S	C	.	.	S	Bend	trans	-70	-29.3	178.7	176.7	-98	0	0	0	113.3	D281 V414 N423	D281-F464 HydrophobicContact CB-CE2 4.48Å; D281-F464 WeakPolarHBondContact OD2-CE2 3.18Å; V414-F464 HydrophobicContact CG1-CD2 3.89Å; V414-F464 HydrophobicContact CG1-CE2 4.14Å; N423-F464 HydrophobicContact CB-CD1 3.9Å; N423-F464 HydrophobicContact CB-CD2 3.46Å; N423-F464 VanDerWaalsContact CB-CD2 3.46Å; N423-F464 HydrophobicContact CB-CE1 3.92Å; N423-F464 HydrophobicContact CB-CE2 3.48Å; N423-F464 VanDerWaalsContact CB-CE2 3.48Å; N423-F464 HydrophobicContact CB-CG 3.69Å; N423-F464 HydrophobicContact CB-CZ 3.74Å; N423-F464 WeakPolarHBondContact ND2-CE2 3.42Å; N423-F464 WeakPolarHBondContact ND2-CZ 3.34Å
465	H	64.7	Low	85.6	Confident	138 Å²	138	25.6 Å²	25.6	64%	0.639	14%	0.144	S	C	*	.	S	Bend	trans	-85.7	-16.9	-175.2	-62.5	-61.7	0	0	0	113.6	Q279 D463	Q279-H465 PolarHBondContact OE1-O 3.1Å; D463-H465 WeakPolarHBondContact OD1-CA 3.29Å; D463-H465 PolarHBondContact OD1-N 2.85Å
466	G	66.1	Low	85.1	Confident	27 Å²	27	32.9 Å²	32.9	28%	0.278	18%	0.175	S	C	.	.	S	Bend	trans	-167.5	126.8	-167.5	0	0	0	0	0	111.2	G462 D463	G462-G466 WeakPolarHBondContact CA-O 3.5Å; D463-G466 PolarHBondContact N-O 2.81Å; D463-G466 PolarHBondContact OD1-N 3.31Å
467	G	76.1	Confident	84.4	Confident	22 Å²	22	33.7 Å²	33.7	23%	0.227	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-177	166.7	0	0	0	0	0	114.8	H460 S461	H460-G467 WeakPolarHBondContact NE2-CA 3.42Å; S461-G467 CarbonylContact O-C 3.32Å; S461-G467 WeakPolarHBondContact O-CA 3.48Å
468	H	83.7	Confident	83.9	Confident	62 Å²	62	37.9 Å²	37.9	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132	-176.7	-171.1	46.7	0	0	0	109.9	S461 D485 D486	S461-H468 PolarHBondContact N-O 3.47Å; S461-H468 PolarHBondContact O-N 3.39Å; H468-D485 IonicContact CD2-OD1 2.74Å; H468-D485 IonicContact CE1-OD1 3.14Å; H468-D485 PolarHBondContact CE1-OD1 2.87Å; H468-D485 IonicContact NE2-OD1 3.7Å; H468-D485 PolarHBondContact NE2-OD1 3.47Å; H468-D485 IonicContact NE2-OD2 3.36Å; H468-D486 IonicContact CE1-OD2 2.84Å; H468-D486 PolarHBondContact CE1-OD2 3.02Å
469	Y	87.1	Confident	83.4	Confident	20 Å²	20	39.2 Å²	39.2	8%	0.078	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.5	-175.2	-67	-99.5	0	0	0	109.6	C209 Y210 V282 V459 H460 Y518	C209-Y469 WeakPolarHBondContact SG-CD2 3.4Å; Y210-Y469 HydrophobicContact CD1-CE2 4.43Å; V282-Y469 HydrophobicContact CG2-CD1 4.35Å; V282-Y469 HydrophobicContact CG2-CE1 3.6Å; V459-Y469 WeakPolarHBondContact O-CA 3.39Å; H460-Y469 HydrophobicContact CB-CD1 4.05Å; H460-Y469 HydrophobicContact CB-CE1 3.94Å; H460-Y469 AromaticContact CD2-CD1 3.79Å; H460-Y469 AromaticContact CD2-CD2 3.67Å; H460-Y469 AromaticContact CD2-CE1 3.51Å; H460-Y469 AromaticContact CD2-CE2 3.42Å; H460-Y469 VanDerWaalsContact CD2-CE2 3.42Å; H460-Y469 WeakPolarHBondContact CD2-CE2 3.33Å; H460-Y469 AromaticContact CD2-CG 3.89Å; H460-Y469 AromaticContact CD2-CZ 3.34Å; H460-Y469 AromaticContact CG-CE1 3.79Å; H460-Y469 AromaticContact CG-CZ 3.95Å; H460-Y469 AromaticContact NE2-CE2 3.59Å; H460-Y469 AromaticContact NE2-CZ 3.62Å; Y469-Y518 HydrophobicContact CD1-CD1 4.44Å; Y469-Y518 AromaticContact CD1-CE1 3.57Å; Y469-Y518 HydrophobicContact CD1-CE1 3.57Å; Y469-Y518 AromaticContact CD1-CZ 3.74Å; Y469-Y518 AromaticContact CE1-CE1 3.97Å; Y469-Y518 HydrophobicContact CE1-CE1 3.97Å
470	V	91.9	Very high	83.2	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158	177.3	-57.5	0	0	0	0	109.2	V459 Y472 D485	V459-V470 HydrophobicContact CB-CG2 3.83Å; V459-V470 HydrophobicContact CG1-CG2 4.19Å; V459-V470 PolarHBondContact N-O 3.04Å; V459-V470 PolarHBondContact O-N 2.89Å; V470-Y472 HydrophobicContact CG2-CE2 3.89Å; V470-D485 HydrophobicContact CG1-CB 4.12Å; V470-D485 WeakPolarHBondContact CG1-OD1 2.92Å
471	V	94.9	Very high	83.4	Confident	1 Å²	1	46 Å²	46	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.3	174.6	65.3	0	0	0	0	111.5	Q216 A456 V457 L458 I473 F484	Q216-V471 HydrophobicContact CB-CG1 3.98Å; A456-V471 HydrophobicContact CB-CG2 4.27Å; V457-V471 WeakPolarHBondContact O-CA 3.5Å; L458-V471 HydrophobicContact CD1-CG2 4.14Å; L458-V471 HydrophobicContact CG-CB 4.34Å; L458-V471 HydrophobicContact CG-CG2 3.81Å; V471-I473 HydrophobicContact CG1-CD1 3.93Å; V471-I473 HydrophobicContact CG1-CG1 4.17Å; V471-I473 HydrophobicContact CG2-CD1 4.04Å; V471-I473 HydrophobicContact CG2-CG1 3.68Å; V471-F484 HydrophobicContact CG1-CB 3.69Å; V471-F484 HydrophobicContact CG1-CD2 4.49Å; V471-F484 HydrophobicContact CG1-CG 4.37Å; V471-F484 PolarHBondContact N-O 3.18Å; V471-F484 VanDerWaalsContact N-O 3.07Å; V471-F484 PolarHBondContact O-N 3.47Å
472	Y	96.2	Very high	83.7	Confident	26 Å²	26	44.9 Å²	44.9	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.9	170.1	-62	-99.4	0	0	0	108	A456 V457 V459 V470 C482 K483 C492 A497 N501	A456-Y472 CarbonylContact C-O 3.58Å; A456-Y472 WeakPolarHBondContact CA-O 3.36Å; V457-Y472 PolarHBondContact N-O 2.96Å; V457-Y472 PolarHBondContact O-N 3.16Å; V459-Y472 HydrophobicContact CB-CE2 4.25Å; V459-Y472 HydrophobicContact CG2-CD2 3.74Å; V459-Y472 HydrophobicContact CG2-CE2 3.76Å; V470-Y472 HydrophobicContact CG2-CE2 3.89Å; Y472-C482 CarbonylContact C-O 3.59Å; Y472-C482 WeakPolarHBondContact CA-O 3.44Å; Y472-K483 HydrophobicContact CD1-CB 3.89Å; Y472-K483 HydrophobicContact CD1-CG 4.16Å; Y472-K483 HydrophobicContact CE1-CB 3.73Å; Y472-K483 HydrophobicContact CE1-CD 4.03Å; Y472-K483 HydrophobicContact CE1-CG 3.71Å; Y472-K483 HydrophobicContact CE2-CG 4.43Å; Y472-C492 VanDerWaalsContact CD1-SG 3.6Å; Y472-C492 HydrophobicContact CE1-CB 4.46Å; Y472-A497 HydrophobicContact CD1-CB 3.79Å; Y472-A497 HydrophobicContact CG-CB 4.02Å; Y472-N501 WeakPolarHBondContact CE2-ND2 3.31Å
473	I	95.7	Very high	84.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.2	-178.4	-52.3	179.6	0	0	0	108.9	Q216 F220 H455 A456 V471 P475 W481 C482 F484	Q216-I473 HydrophobicContact CB-CD1 3.77Å; F220-I473 HydrophobicContact CB-CG2 3.94Å; F220-I473 HydrophobicContact CD2-CB 4.5Å; F220-I473 HydrophobicContact CD2-CD1 3.56Å; F220-I473 HydrophobicContact CD2-CG2 3.97Å; F220-I473 HydrophobicContact CE2-CD1 4.16Å; F220-I473 HydrophobicContact CG-CD1 4.5Å; F220-I473 HydrophobicContact CG-CG2 4.01Å; H455-I473 WeakPolarHBondContact O-CA 3.28Å; A456-I473 HydrophobicContact CB-CG1 4.01Å; V471-I473 HydrophobicContact CG1-CD1 3.93Å; V471-I473 HydrophobicContact CG1-CG1 4.17Å; V471-I473 HydrophobicContact CG2-CD1 4.04Å; V471-I473 HydrophobicContact CG2-CG1 3.68Å; I473-P475 HydrophobicContact CG2-CG 4.38Å; I473-P475 VanDerWaalsContact O-CD 3.31Å; I473-P475 WeakPolarHBondContact O-CD 3.36Å; I473-W481 VanDerWaalsContact C-CE3 3.44Å; I473-W481 WeakPolarHBondContact O-CA 3.43Å; I473-C482 PolarHBondContact N-O 3.13Å; I473-C482 PolarHBondContact O-N 3.49Å; I473-F484 HydrophobicContact CB-CD2 4.14Å; I473-F484 HydrophobicContact CB-CE2 3.79Å; I473-F484 HydrophobicContact CD1-CD2 3.97Å; I473-F484 HydrophobicContact CD1-CE2 4.1Å; I473-F484 HydrophobicContact CG1-CD2 3.96Å; I473-F484 HydrophobicContact CG1-CE2 4.09Å
474	S	93.7	Very high	85.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	22%	0.217	C	C	.	.			trans	-103.5	90.9	161.4	-169.6	0	0	0	0	109.3	H455 K476 G477 N478 G479 K480	H455-S474 PolarHBondContact CE1-O 3.12Å; H455-S474 PolarHBondContact ND1-O 3.03Å; H455-S474 VanDerWaalsContact ND1-O 3.08Å; H455-S474 PolarHBondContact O-N 3.3Å; S474-K476 PolarHBondContact O-N 2.78Å; S474-G477 PolarHBondContact O-N 3.39Å; S474-N478 PolarHBondContact OG-N 3.43Å; S474-G479 PolarHBondContact OG-N 3.13Å; S474-K480 WeakPolarHBondContact CA-O 3.47Å; S474-K480 PolarHBondContact OG-O 3.23Å
475	P	87.5	Confident	86.8	Confident	13 Å²	13	39 Å²	39	8%	0.084	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.7	-168.5	-32.5	39.3	0	0	0	115.2	F220 I473	F220-P475 HydrophobicContact CD1-CB 3.55Å; F220-P475 HydrophobicContact CD1-CG 3.97Å; F220-P475 HydrophobicContact CE1-CB 3.65Å; F220-P475 HydrophobicContact CE1-CG 3.78Å; F220-P475 HydrophobicContact CG-CB 4.36Å; F220-P475 HydrophobicContact CZ-CG 4.21Å; I473-P475 HydrophobicContact CG2-CG 4.38Å; I473-P475 VanDerWaalsContact O-CD 3.31Å; I473-P475 WeakPolarHBondContact O-CD 3.36Å
476	K	82.7	Confident	88	Confident	156 Å²	156	33 Å²	33	68%	0.678	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.6	-179.2	-62.3	-175.7	-179.3	-178.4	0	113	S474 N478	S474-K476 PolarHBondContact O-N 2.78Å; K476-N478 HydrophobicContact CB-CB 4.47Å; K476-N478 PolarHBondContact O-N 2.85Å
477	G	82.6	Confident	89.1	Confident	17 Å²	17	34.7 Å²	34.7	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	63.4	25.6	-175.8	0	0	0	0	0	114.2	S474 M528	S474-G477 PolarHBondContact O-N 3.39Å; G477-M528 VanDerWaalsContact O-CE 3.26Å; G477-M528 WeakPolarHBondContact O-CE 3.45Å
478	N	84.4	Confident	89.7	Confident	87 Å²	87	33.9 Å²	33.9	47%	0.465	17%	0.172	S	C	.	.	S	Bend	trans	-106.8	15.9	-174.3	67.9	-10.2	0	0	0	113.3	S474 K476 K480	S474-N478 PolarHBondContact OG-N 3.43Å; K476-N478 HydrophobicContact CB-CB 4.47Å; K476-N478 PolarHBondContact O-N 2.85Å; N478-K480 PolarHBondContact O-N 3.14Å; N478-K480 WeakPolarHBondContact OD1-CB 3.42Å; N478-K480 PolarHBondContact OD1-N 3.13Å
479	G	83.2	Confident	90	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	16%	0.158	S	C	.	.	S	Bend	trans	75.8	1.7	-178.7	0	0	0	0	0	114.8	S474	S474-G479 PolarHBondContact OG-N 3.13Å
480	K	89.2	Confident	90	Very high	154 Å²	154	30.5 Å²	30.5	67%	0.67	16%	0.158	S	C	*	.			trans	-84.4	114.4	168	-62	-172.3	178.6	-173.5	0	108.7	S474 N478	S474-K480 WeakPolarHBondContact CA-O 3.47Å; S474-K480 PolarHBondContact OG-O 3.23Å; N478-K480 PolarHBondContact O-N 3.14Å; N478-K480 WeakPolarHBondContact OD1-CB 3.42Å; N478-K480 PolarHBondContact OD1-N 3.13Å
481	W	93	Very high	89.8	Confident	5 Å²	5	38.5 Å²	38.5	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.5	-174.8	-69.9	90.1	0	0	0	111.8	L454 V457 I473 C492 A497 I498	L454-W481 HydrophobicContact CB-CH2 4.48Å; L454-W481 HydrophobicContact CD2-CH2 3.86Å; L454-W481 HydrophobicContact CD2-CZ2 4.12Å; L454-W481 HydrophobicContact CG-CH2 3.87Å; L454-W481 HydrophobicContact CG-CZ2 4.37Å; V457-W481 HydrophobicContact CG2-CH2 4.22Å; V457-W481 HydrophobicContact CG2-CZ3 4.22Å; I473-W481 VanDerWaalsContact C-CE3 3.44Å; I473-W481 WeakPolarHBondContact O-CA 3.43Å; W481-C492 VanDerWaalsContact CB-SG 3.51Å; W481-C492 PolarHBondContact O-N 3.44Å; W481-A497 HydrophobicContact CB-CB 4.09Å; W481-A497 HydrophobicContact CD2-CB 3.52Å; W481-A497 HydrophobicContact CE3-CB 3.56Å; W481-A497 HydrophobicContact CG-CB 3.76Å; W481-A497 HydrophobicContact CZ3-CB 4.22Å; W481-I498 HydrophobicContact CZ2-CD1 4.04Å; W481-I498 HydrophobicContact CZ2-CG1 4.3Å
482	C	92.4	Very high	89.5	Confident	10 Å²	10	39.5 Å²	39.5	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135	169.8	-67.1	0	0	0	0	108.6	Y472 I473 F484 V489 C490	Y472-C482 CarbonylContact C-O 3.59Å; Y472-C482 WeakPolarHBondContact CA-O 3.44Å; I473-C482 PolarHBondContact N-O 3.13Å; I473-C482 PolarHBondContact O-N 3.49Å; C482-F484 HydrophobicContact CB-CD2 4.29Å; C482-F484 HydrophobicContact CB-CE2 3.56Å; C482-F484 HydrophobicContact CB-CZ 4.04Å; C482-F484 WeakPolarHBondContact O-CD2 3.28Å; C482-V489 HydrophobicContact CB-CG1 4.23Å; C482-C490 CarbonylContact C-O 3.56Å; C482-C490 WeakPolarHBondContact CA-O 3.4Å
483	K	93.4	Very high	89.2	Confident	31 Å²	31	41.9 Å²	41.9	14%	0.135	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.8	169.7	-177.6	-169.2	175.5	-156.4	0	107.3	Y472 D485 V489 C490	Y472-K483 HydrophobicContact CD1-CB 3.89Å; Y472-K483 HydrophobicContact CD1-CG 4.16Å; Y472-K483 HydrophobicContact CE1-CB 3.73Å; Y472-K483 HydrophobicContact CE1-CD 4.03Å; Y472-K483 HydrophobicContact CE1-CG 3.71Å; Y472-K483 HydrophobicContact CE2-CG 4.43Å; K483-D485 VanDerWaalsContact CE-OD2 3.31Å; K483-D485 WeakPolarHBondContact CE-OD2 3.35Å; K483-D485 IonicContact NZ-OD2 2.9Å; K483-D485 PolarHBondContact NZ-OD2 3.28Å; K483-V489 WeakPolarHBondContact O-CA 3.33Å; K483-C490 PolarHBondContact N-O 3.2Å; K483-C490 PolarHBondContact O-N 3.1Å
484	F	93.1	Very high	89	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.4	173.7	-64.3	-100.5	0	0	0	107.4	H199 Q216 F220 V471 I473 C482 V489	H199-F484 HydrophobicContact CB-CE1 3.91Å; H199-F484 HydrophobicContact CB-CZ 4.11Å; Q216-F484 HydrophobicContact CG-CB 4.28Å; Q216-F484 HydrophobicContact CG-CD1 4.06Å; Q216-F484 HydrophobicContact CG-CG 4.33Å; F220-F484 HydrophobicContact CD2-CZ 4.24Å; F220-F484 HydrophobicContact CE2-CD1 4.36Å; F220-F484 AromaticContact CE2-CE1 3.46Å; F220-F484 HydrophobicContact CE2-CE1 3.46Å; F220-F484 VanDerWaalsContact CE2-CE1 3.46Å; F220-F484 AromaticContact CE2-CE2 3.94Å; F220-F484 HydrophobicContact CE2-CE2 3.94Å; F220-F484 AromaticContact CE2-CZ 3.21Å; F220-F484 HydrophobicContact CE2-CZ 3.21Å; F220-F484 AromaticContact CZ-CE1 3.76Å; F220-F484 HydrophobicContact CZ-CE1 3.76Å; F220-F484 HydrophobicContact CZ-CE2 4.42Å; F220-F484 AromaticContact CZ-CZ 3.43Å; F220-F484 HydrophobicContact CZ-CZ 3.43Å; F220-F484 VanDerWaalsContact CZ-CZ 3.43Å; V471-F484 HydrophobicContact CG1-CB 3.69Å; V471-F484 HydrophobicContact CG1-CD2 4.49Å; V471-F484 HydrophobicContact CG1-CG 4.37Å; V471-F484 PolarHBondContact N-O 3.18Å; V471-F484 VanDerWaalsContact N-O 3.07Å; V471-F484 PolarHBondContact O-N 3.47Å; I473-F484 HydrophobicContact CB-CD2 4.14Å; I473-F484 HydrophobicContact CB-CE2 3.79Å; I473-F484 HydrophobicContact CD1-CD2 3.97Å; I473-F484 HydrophobicContact CD1-CE2 4.1Å; I473-F484 HydrophobicContact CG1-CD2 3.96Å; I473-F484 HydrophobicContact CG1-CE2 4.09Å; C482-F484 HydrophobicContact CB-CD2 4.29Å; C482-F484 HydrophobicContact CB-CE2 3.56Å; C482-F484 HydrophobicContact CB-CZ 4.04Å; C482-F484 WeakPolarHBondContact O-CD2 3.28Å; F484-V489 HydrophobicContact CD1-CB 4.28Å; F484-V489 HydrophobicContact CD1-CG1 3.64Å; F484-V489 HydrophobicContact CD1-CG2 3.56Å; F484-V489 HydrophobicContact CD2-CG1 4.35Å; F484-V489 HydrophobicContact CE1-CB 4.42Å; F484-V489 HydrophobicContact CE1-CG1 3.53Å; F484-V489 HydrophobicContact CE1-CG2 3.93Å; F484-V489 HydrophobicContact CE2-CG1 4.24Å; F484-V489 HydrophobicContact CG-CG1 4.04Å; F484-V489 HydrophobicContact CG-CG2 4.36Å; F484-V489 HydrophobicContact CZ-CG1 3.83Å
485	D	90.8	Very high	88.8	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	81.4	-178.2	-163.6	-15.7	0	0	0	107.3	H187 H468 V470 K483 D487 V488	H187-D485 IonicContact CE1-OD1 2.76Å; H187-D485 IonicContact CE1-OD2 3.48Å; H187-D485 IonicContact NE2-OD1 2.86Å; H187-D485 PolarHBondContact NE2-OD1 3.14Å; H187-D485 IonicContact NE2-OD2 3.52Å; H468-D485 IonicContact CD2-OD1 2.74Å; H468-D485 IonicContact CE1-OD1 3.14Å; H468-D485 PolarHBondContact CE1-OD1 2.87Å; H468-D485 IonicContact NE2-OD1 3.7Å; H468-D485 PolarHBondContact NE2-OD1 3.47Å; H468-D485 IonicContact NE2-OD2 3.36Å; V470-D485 HydrophobicContact CG1-CB 4.12Å; V470-D485 WeakPolarHBondContact CG1-OD1 2.92Å; K483-D485 VanDerWaalsContact CE-OD2 3.31Å; K483-D485 WeakPolarHBondContact CE-OD2 3.35Å; K483-D485 IonicContact NZ-OD2 2.9Å; K483-D485 PolarHBondContact NZ-OD2 3.28Å; D485-D487 PolarHBondContact O-N 3.06Å; D485-V488 CarbonylContact C-O 3.54Å; D485-V488 WeakPolarHBondContact CA-O 3.35Å; D485-V488 PolarHBondContact N-O 2.71Å; D485-V488 PolarHBondContact O-N 2.97Å; D485-V488 VanDerWaalsContact O-O 3.08Å
486	D	90.6	Very high	88.9	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.064	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-110	-171	-68.7	-46.5	0	0	0	113.2	G201 L202 N204 N212 H468 V488	G201-D486 CarbonylContact C-O 3.42Å; G201-D486 WeakPolarHBondContact CA-O 3.23Å; L202-D486 PolarHBondContact N-O 2.75Å; L202-D486 CarbonylContact O-C 3.57Å; L202-D486 VanDerWaalsContact O-CA 3.31Å; L202-D486 WeakPolarHBondContact O-CA 3.44Å; L202-D486 WeakPolarHBondContact O-CB 2.96Å; N204-D486 HydrophobicContact CB-CB 4.01Å; N204-D486 WeakPolarHBondContact CB-OD2 3.44Å; N204-D486 PolarHBondContact ND2-OD2 2.89Å; N212-D486 PolarHBondContact ND2-OD1 3.08Å; H468-D486 IonicContact CE1-OD2 2.84Å; H468-D486 PolarHBondContact CE1-OD2 3.02Å; D486-V488 VanDerWaalsContact C-N 3.33Å
487	D	88.4	Confident	89.4	Confident	62 Å²	62	42 Å²	42	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-17	-176.5	62.6	-38.3	0	0	0	113.2	H187 S193 L202 P259 D485	H187-D487 IonicContact CD2-OD1 3.43Å; S193-D487 PolarHBondContact OG-O 2.82Å; S193-D487 VanDerWaalsContact OG-O 3.05Å; L202-D487 PolarHBondContact O-N 3.37Å; P259-D487 HydrophobicContact CB-CB 3.7Å; P259-D487 HydrophobicContact CG-CB 3.69Å; D485-D487 PolarHBondContact O-N 3.06Å
488	V	88.2	Confident	90	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.3	-179.3	-180	0	0	0	0	109.9	A185 H187 W191 D485 D486	A185-V488 HydrophobicContact CB-CG1 3.34Å; H187-V488 VanDerWaalsContact CD2-CG2 3.49Å; H187-V488 WeakPolarHBondContact CD2-CG2 3.31Å; W191-V488 HydrophobicContact CG-CG1 4.27Å; D485-V488 CarbonylContact C-O 3.54Å; D485-V488 WeakPolarHBondContact CA-O 3.35Å; D485-V488 PolarHBondContact N-O 2.71Å; D485-V488 PolarHBondContact O-N 2.97Å; D485-V488 VanDerWaalsContact O-O 3.08Å; D486-V488 VanDerWaalsContact C-N 3.33Å
489	V	90.8	Very high	90.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.8	171.9	-167.4	0	0	0	0	108.3	W191 S193 T197 H199 C482 K483 F484	W191-V489 PolarHBondContact NE1-O 3.3Å; S193-V489 PolarHBondContact OG-N 3.38Å; T197-V489 HydrophobicContact CG2-CB 4.35Å; T197-V489 HydrophobicContact CG2-CG1 4.05Å; T197-V489 VanDerWaalsContact CG2-O 3.29Å; T197-V489 WeakPolarHBondContact CG2-O 3.36Å; H199-V489 HydrophobicContact CB-CG1 4.33Å; C482-V489 HydrophobicContact CB-CG1 4.23Å; K483-V489 WeakPolarHBondContact O-CA 3.33Å; F484-V489 HydrophobicContact CD1-CB 4.28Å; F484-V489 HydrophobicContact CD1-CG1 3.64Å; F484-V489 HydrophobicContact CD1-CG2 3.56Å; F484-V489 HydrophobicContact CD2-CG1 4.35Å; F484-V489 HydrophobicContact CE1-CB 4.42Å; F484-V489 HydrophobicContact CE1-CG1 3.53Å; F484-V489 HydrophobicContact CE1-CG2 3.93Å; F484-V489 HydrophobicContact CE2-CG1 4.24Å; F484-V489 HydrophobicContact CG-CG1 4.04Å; F484-V489 HydrophobicContact CG-CG2 4.36Å; F484-V489 HydrophobicContact CZ-CG1 3.83Å
490	C	87.6	Confident	90.7	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.6	177.1	65	0	0	0	0	111.3	A185 W191 C482 K483	A185-C490 HydrophobicContact CB-CB 3.77Å; W191-C490 HydrophobicContact CZ2-CB 4.1Å; C482-C490 CarbonylContact C-O 3.56Å; C482-C490 WeakPolarHBondContact CA-O 3.4Å; K483-C490 PolarHBondContact N-O 3.2Å; K483-C490 PolarHBondContact O-N 3.1Å
491	R	88.5	Confident	90.9	Very high	174 Å²	174	38.6 Å²	38.6	66%	0.657	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	146.1	169.8	-66.4	-173.5	-175.9	166.3	6	109.2	H196 T197	H196-R491 PolarHBondContact O-NE 3.32Å; H196-R491 PolarHBondContact O-NH2 2.85Å; T197-R491 HydrophobicContact CG2-CG 4.22Å
492	C	87.9	Confident	90.9	Very high	21 Å²	21	39.9 Å²	39.9	14%	0.142	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162	176	55.4	0	0	0	0	110.4	Y472 W481 E496	Y472-C492 VanDerWaalsContact CD1-SG 3.6Å; Y472-C492 HydrophobicContact CE1-CB 4.46Å; W481-C492 VanDerWaalsContact CB-SG 3.51Å; W481-C492 PolarHBondContact O-N 3.44Å; C492-E496 WeakPolarHBondContact CA-OE2 3.49Å; C492-E496 HydrophobicContact CB-CB 4.19Å; C492-E496 WeakPolarHBondContact CB-OE2 3.35Å
493	T	89.8	Confident	90.7	Very high	76 Å²	76	40.1 Å²	40.1	47%	0.466	20%	0.199	S	C	.	.			trans	-75.7	160.8	174	66.3	0	0	0	0	110.8	A495 E496 A497	T493-A495 VanDerWaalsContact C-N 3.27Å; T493-A495 PolarHBondContact O-N 3.06Å; T493-E496 PolarHBondContact N-OE2 3.17Å; T493-E496 PolarHBondContact O-N 3.01Å; T493-E496 VanDerWaalsContact OG1-CD 3.31Å; T493-E496 VanDerWaalsContact OG1-CG 3.25Å; T493-E496 WeakPolarHBondContact OG1-CG 3.17Å; T493-E496 PolarHBondContact OG1-N 2.59Å; T493-E496 PolarHBondContact OG1-OE2 2.69Å; T493-A497 PolarHBondContact O-N 3.39Å; T493-A497 VanDerWaalsContact O-N 3.16Å
494	K	90.8	Very high	90.1	Very high	89 Å²	89	39.7 Å²	39.7	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-37.9	173.6	-175.7	-174.5	178.9	-175.3	0	112.2	E434 A497 I498	E434-K494 VanDerWaalsContact CD-CE 3.42Å; E434-K494 VanDerWaalsContact CD-NZ 3.34Å; E434-K494 IonicContact OE1-NZ 2.86Å; E434-K494 WeakPolarHBondContact OE2-CE 3.47Å; E434-K494 IonicContact OE2-NZ 3.73Å; E434-K494 PolarHBondContact OE2-NZ 3.3Å; K494-A497 PolarHBondContact O-N 3.1Å; K494-I498 HydrophobicContact CD-CD1 4.48Å; K494-I498 HydrophobicContact CG-CD1 3.76Å; K494-I498 HydrophobicContact CG-CG1 4.38Å; K494-I498 WeakPolarHBondContact O-CB 3.39Å; K494-I498 PolarHBondContact O-N 3.15Å
495	A	90.8	Very high	88.7	Confident	31 Å²	31	42.8 Å²	42.8	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-42.2	178.7	0	0	0	0	0	111.3	T493 A497 I498 E499 M500	T493-A495 VanDerWaalsContact C-N 3.27Å; T493-A495 PolarHBondContact O-N 3.06Å; A495-A497 PolarHBondContact O-N 3.25Å; A495-I498 PolarHBondContact O-N 2.84Å; A495-E499 PolarHBondContact O-N 2.99Å; A495-M500 WeakPolarHBondContact O-CG 3.49Å; A495-M500 PolarHBondContact O-N 3.16Å
496	E	89	Confident	86.9	Confident	52 Å²	52	49 Å²	49	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-37.3	174.9	-72.5	164.1	147.8	0	0	113	C492 T493 M500 N501	C492-E496 WeakPolarHBondContact CA-OE2 3.49Å; C492-E496 HydrophobicContact CB-CB 4.19Å; C492-E496 WeakPolarHBondContact CB-OE2 3.35Å; T493-E496 PolarHBondContact N-OE2 3.17Å; T493-E496 PolarHBondContact O-N 3.01Å; T493-E496 VanDerWaalsContact OG1-CD 3.31Å; T493-E496 VanDerWaalsContact OG1-CG 3.25Å; T493-E496 WeakPolarHBondContact OG1-CG 3.17Å; T493-E496 PolarHBondContact OG1-N 2.59Å; T493-E496 PolarHBondContact OG1-OE2 2.69Å; E496-M500 HydrophobicContact CB-SD 4.26Å; E496-M500 HydrophobicContact CG-CE 3.82Å; E496-M500 HydrophobicContact CG-SD 3.69Å; E496-N501 PolarHBondContact O-ND2 2.92Å
497	A	92.9	Very high	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-75.9	-33.2	179.6	0	0	0	0	0	113.4	Y472 W481 T493 K494 A495 N501	Y472-A497 HydrophobicContact CD1-CB 3.79Å; Y472-A497 HydrophobicContact CG-CB 4.02Å; W481-A497 HydrophobicContact CB-CB 4.09Å; W481-A497 HydrophobicContact CD2-CB 3.52Å; W481-A497 HydrophobicContact CE3-CB 3.56Å; W481-A497 HydrophobicContact CG-CB 3.76Å; W481-A497 HydrophobicContact CZ3-CB 4.22Å; T493-A497 PolarHBondContact O-N 3.39Å; T493-A497 VanDerWaalsContact O-N 3.16Å; K494-A497 PolarHBondContact O-N 3.1Å; A495-A497 PolarHBondContact O-N 3.25Å; A497-N501 VanDerWaalsContact C-ND2 3.34Å; A497-N501 PolarHBondContact O-ND2 3.34Å
498	I	94.5	Very high	82.9	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-70.3	-170.1	-54.7	-179.2	0	0	0	111.2	F432 E434 L454 W481 K494 A495 M500 N501 Y502	F432-I498 HydrophobicContact CD2-CG2 3.97Å; F432-I498 HydrophobicContact CE2-CB 4.28Å; F432-I498 HydrophobicContact CE2-CG2 3.78Å; F432-I498 WeakPolarHBondContact CZ-O 3.45Å; F432-I498 WeakPolarHBondContact O-CG2 3.45Å; E434-I498 HydrophobicContact CB-CD1 4.04Å; L454-I498 HydrophobicContact CD2-CD1 3.73Å; L454-I498 HydrophobicContact CD2-CG1 3.79Å; W481-I498 HydrophobicContact CZ2-CD1 4.04Å; W481-I498 HydrophobicContact CZ2-CG1 4.3Å; K494-I498 HydrophobicContact CD-CD1 4.48Å; K494-I498 HydrophobicContact CG-CD1 3.76Å; K494-I498 HydrophobicContact CG-CG1 4.38Å; K494-I498 WeakPolarHBondContact O-CB 3.39Å; K494-I498 PolarHBondContact O-N 3.15Å; A495-I498 PolarHBondContact O-N 2.84Å; I498-M500 PolarHBondContact O-N 2.91Å; I498-N501 PolarHBondContact O-N 3.03Å; I498-Y502 HydrophobicContact CG2-CE1 3.72Å; I498-Y502 WeakPolarHBondContact CG2-OH 3.43Å; I498-Y502 WeakPolarHBondContact O-CD1 3.17Å
499	E	92.5	Very high	81	Confident	114 Å²	114	58.2 Å²	58.2	53%	0.533	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.8	-39	-169	-65.4	168.2	-152.6	0	0	112.9	A495 N501 Y502	A495-E499 PolarHBondContact O-N 2.99Å; E499-N501 PolarHBondContact O-N 2.98Å; E499-Y502 HydrophobicContact CB-CE2 4.15Å; E499-Y502 HydrophobicContact CG-CE2 4.08Å; E499-Y502 WeakPolarHBondContact O-CD2 3.47Å; E499-Y502 PolarHBondContact O-N 2.63Å
500	M	89.7	Confident	79.1	Confident	96 Å²	96	64.5 Å²	64.5	47%	0.473	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-71.4	-10.4	177.8	-63.6	-171.4	-168.5	0	0	113.3	A495 E496 I498	A495-M500 WeakPolarHBondContact O-CG 3.49Å; A495-M500 PolarHBondContact O-N 3.16Å; E496-M500 HydrophobicContact CB-SD 4.26Å; E496-M500 HydrophobicContact CG-CE 3.82Å; E496-M500 HydrophobicContact CG-SD 3.69Å; I498-M500 PolarHBondContact O-N 2.91Å
501	N	93.9	Very high	77.2	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-107.6	7.7	-177.3	-67	-43.5	0	0	0	113.6	F432 V457 V459 Y472 E496 A497 I498 E499 G503 A517	F432-N501 HydrophobicContact CZ-CB 3.95Å; V457-N501 HydrophobicContact CG1-CB 4.41Å; V459-N501 HydrophobicContact CG2-CB 4.07Å; Y472-N501 WeakPolarHBondContact CE2-ND2 3.31Å; E496-N501 PolarHBondContact O-ND2 2.92Å; A497-N501 VanDerWaalsContact C-ND2 3.34Å; A497-N501 PolarHBondContact O-ND2 3.34Å; I498-N501 PolarHBondContact O-N 3.03Å; E499-N501 PolarHBondContact O-N 2.98Å; N501-G503 PolarHBondContact O-N 2.82Å; N501-A517 HydrophobicContact CB-CB 4.35Å; N501-A517 PolarHBondContact O-N 3.4Å
502	Y	93.5	Very high	75.7	Confident	33 Å²	33	69.8 Å²	69.8	13%	0.129	37%	0.374	C	S	.	.	S	Bend	trans	-64.9	-25.5	174.2	-65.3	-24.4	0	0	0	112.8	R413 R429 F430 E431 F432 I498 E499	R413-Y502 PolarHBondContact NH2-O 2.92Å; R429-Y502 CarbonylContact C-O 3.58Å; R429-Y502 WeakPolarHBondContact CA-O 3.39Å; F430-Y502 PolarHBondContact N-O 2.87Å; F430-Y502 WeakPolarHBondContact O-CA 3.26Å; F430-Y502 WeakPolarHBondContact O-CD1 3.49Å; E431-Y502 HydrophobicContact CB-CD1 4.42Å; E431-Y502 HydrophobicContact CB-CE1 4.28Å; E431-Y502 HydrophobicContact CB-CE2 4.39Å; E431-Y502 HydrophobicContact CG-CD2 3.92Å; E431-Y502 HydrophobicContact CG-CE2 4Å; E431-Y502 HydrophobicContact CG-CG 4.21Å; F432-Y502 AromaticContact CD1-CD1 3.78Å; F432-Y502 HydrophobicContact CD1-CD1 3.78Å; F432-Y502 HydrophobicContact CD1-CE1 4.01Å; F432-Y502 HydrophobicContact CD2-CE1 4.24Å; F432-Y502 AromaticContact CE1-CD1 3.59Å; F432-Y502 HydrophobicContact CE1-CD1 3.59Å; F432-Y502 HydrophobicContact CE1-CE1 4.06Å; F432-Y502 HydrophobicContact CE2-CE1 4.29Å; F432-Y502 HydrophobicContact CG-CD1 4.34Å; F432-Y502 HydrophobicContact CG-CE1 4.1Å; F432-Y502 AromaticContact CZ-CD1 3.99Å; F432-Y502 HydrophobicContact CZ-CD1 3.99Å; F432-Y502 HydrophobicContact CZ-CE1 4.19Å; I498-Y502 HydrophobicContact CG2-CE1 3.72Å; I498-Y502 WeakPolarHBondContact CG2-OH 3.43Å; I498-Y502 WeakPolarHBondContact O-CD1 3.17Å; E499-Y502 HydrophobicContact CB-CE2 4.15Å; E499-Y502 HydrophobicContact CG-CE2 4.08Å; E499-Y502 WeakPolarHBondContact O-CD2 3.47Å; E499-Y502 PolarHBondContact O-N 2.63Å
503	G	87.9	Confident	74.2	Confident	15 Å²	15	72.2 Å²	72.2	16%	0.155	38%	0.383	C	S	.	.			trans	81.8	-171.9	-168	0	0	0	0	0	112.1	R429 N501	R429-G503 WeakPolarHBondContact CG-O 3.28Å; N501-G503 PolarHBondContact O-N 2.82Å
504	G	81.1	Confident	73.5	Confident	21 Å²	21	70.9 Å²	70.9	22%	0.216	38%	0.377	C	S	.	.	S	Bend	trans	96	167.2	-173.3	0	0	0	0	0	113.7	N427	N427-G504 PolarHBondContact O-N 3.33Å
505	A	64.7	Low	73.3	Confident	70 Å²	70	68 Å²	68	58%	0.579	37%	0.366	S	S	*	.	S	Bend	trans	-95.4	18.2	-174.5	0	0	0	0	0	113.8	G507	A505-G507 PolarHBondContact O-N 2.87Å
506	D	52.3	Low	73.3	Confident	141 Å²	141	66.5 Å²	66.5	75%	0.754	35%	0.354	S	S	*	.			trans	-76.6	32.5	-167.1	-65.7	-21.2	0	0	0	114.6	R429	R429-D506 WeakPolarHBondContact CD-OD2 3.34Å; R429-D506 IonicContact NE-OD2 3.45Å
507	G	48.9	Very low	73.5	Confident	38 Å²	38	64 Å²	64	39%	0.392	34%	0.343	S	S	.	.	S	Bend	trans	-159.9	146.4	174.7	0	0	0	0	0	114.1	A505 S509 Q513	A505-G507 PolarHBondContact O-N 2.87Å; G507-S509 PolarHBondContact O-N 3.46Å; G507-Q513 PolarHBondContact O-NE2 3.39Å
508	E	46	Very low	73.4	Confident	196 Å²	196	65.2 Å²	65.2	92%	0.916	35%	0.347	S	S	*	.	S	Bend	trans	-62.3	0.6	-177.2	-63.8	-176.9	152.7	0	0	114.9
509	S	49.1	Very low	73.3	Confident	38 Å²	38	65.4 Å²	65.4	27%	0.266	35%	0.348	S	S	.	.			trans	-103	104.9	-175.9	-38	0	0	0	0	111.2	G507 H511 R512	G507-S509 PolarHBondContact O-N 3.46Å; S509-H511 PolarHBondContact O-N 3.3Å; S509-H511 VanDerWaalsContact O-N 3.09Å; S509-R512 PolarHBondContact O-N 3.42Å
510	I	49	Very low	73.4	Confident	132 Å²	132	60 Å²	60	68%	0.677	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-50	-37.7	177.8	-62.6	169.2	0	0	0	111.9	R512 Q513	I510-R512 PolarHBondContact O-N 3.37Å; I510-Q513 PolarHBondContact O-N 3.12Å
511	H	49.2	Very low	73.6	Confident	142 Å²	142	55.4 Å²	55.4	66%	0.657	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.8	-30.7	180	-72.8	-61.6	0	0	0	114.5	S509	S509-H511 PolarHBondContact O-N 3.3Å; S509-H511 VanDerWaalsContact O-N 3.09Å
512	R	55.9	Low	73.7	Confident	154 Å²	154	55.2 Å²	55.2	58%	0.581	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-78.8	-21.3	178.5	-74.1	-175.4	177.8	172.7	-0.8	112.8	S509 I510 C514 T515	S509-R512 PolarHBondContact O-N 3.42Å; I510-R512 PolarHBondContact O-N 3.37Å; R512-C514 PolarHBondContact O-N 3.09Å; R512-C514 VanDerWaalsContact O-N 3.14Å; R512-T515 PolarHBondContact O-N 2.9Å
513	Q	57.5	Low	73.7	Confident	72 Å²	72	54.2 Å²	54.2	34%	0.336	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.2	-177.9	-62.3	-179.3	-9.1	0	0	113	G507 I510	G507-Q513 PolarHBondContact O-NE2 3.39Å; I510-Q513 PolarHBondContact O-N 3.12Å
514	C	74.6	Confident	74	Confident	48 Å²	48	54.1 Å²	54.1	32%	0.324	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-109.7	7.9	-179	-59.8	0	0	0	0	114.1	K425 G462 R512	K425-C514 PolarHBondContact NZ-O 3.11Å; G462-C514 PolarHBondContact N-O 3.36Å; G462-C514 VanDerWaalsContact N-O 3.15Å; R512-C514 PolarHBondContact O-N 3.09Å; R512-C514 VanDerWaalsContact O-N 3.14Å
515	T	86.6	Confident	74.4	Confident	28 Å²	28	56 Å²	56	17%	0.172	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.3	179.3	-62.1	0	0	0	0	110.3	V459 S461 R512	V459-T515 HydrophobicContact CG1-CG2 3.49Å; V459-T515 VanDerWaalsContact CG1-CG2 3.49Å; S461-T515 WeakPolarHBondContact CB-OG1 3.48Å; S461-T515 VanDerWaalsContact OG-CG2 3.24Å; S461-T515 WeakPolarHBondContact OG-CG2 3.46Å; S461-T515 PolarHBondContact OG-OG1 3.11Å; R512-T515 PolarHBondContact O-N 2.9Å
516	N	91.1	Very high	75.5	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157.6	179.5	44.3	60.4	0	0	0	113.1	R413 K425 N427 V459 H460	R413-N516 WeakPolarHBondContact CD-OD1 3.38Å; K425-N516 WeakPolarHBondContact CE-OD1 3.42Å; N427-N516 PolarHBondContact OD1-ND2 2.89Å; V459-N516 WeakPolarHBondContact CA-O 3.12Å; H460-N516 PolarHBondContact N-O 3.11Å; H460-N516 PolarHBondContact O-N 3.37Å; H460-N516 VanDerWaalsContact O-N 3.17Å
517	A	93.3	Very high	77	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.9	174.5	0	0	0	0	0	111.4	L411 R413 F432 V457 L458 V459 N501 L520	L411-A517 HydrophobicContact CD1-CB 4.41Å; L411-A517 WeakPolarHBondContact CD1-O 3.41Å; R413-A517 VanDerWaalsContact CD-O 3.32Å; R413-A517 WeakPolarHBondContact CD-O 3.27Å; R413-A517 PolarHBondContact NE-O 3.16Å; F432-A517 HydrophobicContact CE1-CB 3.58Å; F432-A517 HydrophobicContact CZ-CB 3.72Å; V457-A517 HydrophobicContact CG1-CB 3.59Å; L458-A517 CarbonylContact O-C 2.88Å; L458-A517 VanDerWaalsContact O-CA 3.27Å; L458-A517 WeakPolarHBondContact O-CA 3.38Å; V459-A517 HydrophobicContact CG2-CB 4.46Å; N501-A517 HydrophobicContact CB-CB 4.35Å; N501-A517 PolarHBondContact O-N 3.4Å; A517-L520 HydrophobicContact CB-CD2 4.08Å
518	Y	90.1	Very high	78	Confident	24 Å²	24	50.7 Å²	50.7	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-17	175.3	69.2	-89	0	0	0	112.8	V282 L411 L458 H460 Y469	V282-Y518 HydrophobicContact CB-CD2 4.39Å; V282-Y518 HydrophobicContact CB-CE2 4.16Å; V282-Y518 HydrophobicContact CG1-CD2 4.03Å; V282-Y518 HydrophobicContact CG1-CE2 3.79Å; V282-Y518 HydrophobicContact CG2-CD2 4.15Å; V282-Y518 HydrophobicContact CG2-CE2 3.56Å; L411-Y518 WeakPolarHBondContact CB-O 3.46Å; L411-Y518 PolarHBondContact N-O 3.37Å; L458-Y518 VanDerWaalsContact C-CE1 3.49Å; L458-Y518 HydrophobicContact CB-CD1 4.38Å; L458-Y518 HydrophobicContact CB-CE1 3.68Å; L458-Y518 HydrophobicContact CB-CE2 4.06Å; L458-Y518 HydrophobicContact CD2-CE2 4.31Å; L458-Y518 WeakPolarHBondContact CD2-OH 3.46Å; L458-Y518 VanDerWaalsContact O-CD1 3.3Å; L458-Y518 WeakPolarHBondContact O-CD1 3.33Å; L458-Y518 PolarHBondContact O-N 3.44Å; H460-Y518 HydrophobicContact CB-CD1 3.66Å; H460-Y518 HydrophobicContact CB-CE1 4.08Å; Y469-Y518 HydrophobicContact CD1-CD1 4.44Å; Y469-Y518 AromaticContact CD1-CE1 3.57Å; Y469-Y518 HydrophobicContact CD1-CE1 3.57Å; Y469-Y518 AromaticContact CD1-CZ 3.74Å; Y469-Y518 AromaticContact CE1-CE1 3.97Å; Y469-Y518 HydrophobicContact CE1-CE1 3.97Å
519	M	91.9	Very high	78.5	Confident	8 Å²	8	45 Å²	45	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.1	175.9	179.8	-173.6	177.3	0	0	110.2	L214 L305 H408 L409 Q410 L458	L214-M519 HydrophobicContact CD1-CE 4.11Å; L214-M519 HydrophobicContact CD1-SD 4.31Å; L305-M519 HydrophobicContact CD2-CE 3.97Å; H408-M519 HydrophobicContact CB-CE 3.82Å; L409-M519 CarbonylContact O-C 3.58Å; L409-M519 WeakPolarHBondContact O-CA 3.39Å; Q410-M519 HydrophobicContact CG-CG 4.33Å; L458-M519 HydrophobicContact CB-CB 4.11Å; L458-M519 HydrophobicContact CD1-CB 4.17Å; L458-M519 HydrophobicContact CD1-CG 4.1Å; L458-M519 HydrophobicContact CD1-SD 4.24Å; L458-M519 HydrophobicContact CD2-CB 4.37Å; L458-M519 HydrophobicContact CD2-SD 3.88Å; L458-M519 HydrophobicContact CG-CB 4.44Å; L458-M519 PolarHBondContact N-O 3.4Å; L458-M519 PolarHBondContact O-N 3.07Å
520	L	95.3	Very high	78.4	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.7	-180	-53.8	172.5	0	0	0	109.7	I365 L409 L411 F432 L454 V457 A517 Y522	I365-L520 HydrophobicContact CD1-CD1 3.64Å; I365-L520 HydrophobicContact CG1-CD1 4.46Å; L409-L520 HydrophobicContact CB-CB 4.33Å; L409-L520 PolarHBondContact N-O 3.04Å; L409-L520 PolarHBondContact O-N 3.02Å; L411-L520 HydrophobicContact CD1-CD1 4.12Å; L411-L520 HydrophobicContact CD1-CG 4.25Å; L411-L520 HydrophobicContact CD2-CD1 4.4Å; F432-L520 HydrophobicContact CB-CD1 3.46Å; F432-L520 VanDerWaalsContact CB-CD1 3.46Å; F432-L520 HydrophobicContact CD1-CD1 4.05Å; F432-L520 HydrophobicContact CD1-CD2 4.24Å; F432-L520 HydrophobicContact CD2-CD1 4.13Å; F432-L520 HydrophobicContact CD2-CD2 3.8Å; F432-L520 HydrophobicContact CE1-CD2 4.32Å; F432-L520 HydrophobicContact CE2-CD2 3.89Å; F432-L520 HydrophobicContact CG-CD1 3.63Å; F432-L520 HydrophobicContact CG-CD2 3.99Å; F432-L520 HydrophobicContact CG-CG 4.49Å; F432-L520 HydrophobicContact CZ-CD2 4.16Å; L454-L520 HydrophobicContact CD1-CB 4.22Å; L454-L520 HydrophobicContact CD1-CD2 4.28Å; V457-L520 HydrophobicContact CB-CD2 4.23Å; V457-L520 HydrophobicContact CG1-CD2 3.8Å; V457-L520 HydrophobicContact CG2-CD2 4.08Å; A517-L520 HydrophobicContact CB-CD2 4.08Å; L520-Y522 HydrophobicContact CB-CD2 4.18Å; L520-Y522 HydrophobicContact CB-CE2 3.86Å; L520-Y522 HydrophobicContact CD1-CE2 4.05Å
521	S	94.2	Very high	78	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.3	172.3	-167.4	0	0	0	0	109.5	H408 H455 A456	H408-S521 PolarHBondContact CE1-OG 3.1Å; H408-S521 VanDerWaalsContact CE1-OG 3.23Å; H408-S521 PolarHBondContact ND1-OG 2.77Å; H455-S521 WeakPolarHBondContact CA-O 3.24Å; H455-S521 WeakPolarHBondContact CB-O 3.37Å; H455-S521 PolarHBondContact N-O 3.13Å; A456-S521 PolarHBondContact N-O 2.86Å; A456-S521 VanDerWaalsContact N-O 3.14Å; A456-S521 PolarHBondContact O-N 2.9Å
522	Y	95.3	Very high	77	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.7	178.8	-83.3	-87.3	0	0	0	109.8	I365 V406 L407 L409 P433 L436 T453 L454 L520	I365-Y522 HydrophobicContact CD1-CE2 3.9Å; I365-Y522 WeakPolarHBondContact CD1-OH 3.38Å; V406-Y522 WeakPolarHBondContact CA-O 3.17Å; L407-Y522 PolarHBondContact N-O 3.02Å; L407-Y522 PolarHBondContact O-N 3.04Å; L409-Y522 HydrophobicContact CD1-CD2 3.85Å; L409-Y522 HydrophobicContact CD1-CE2 3.9Å; L409-Y522 HydrophobicContact CG-CD2 4.43Å; P433-Y522 WeakPolarHBondContact O-CE1 2.98Å; P433-Y522 PolarHBondContact O-OH 3.01Å; L436-Y522 HydrophobicContact CB-CD1 3.95Å; L436-Y522 HydrophobicContact CB-CE1 3.59Å; L436-Y522 HydrophobicContact CD2-CD1 4.27Å; L436-Y522 HydrophobicContact CD2-CD2 4.28Å; L436-Y522 HydrophobicContact CD2-CE1 4.16Å; L436-Y522 HydrophobicContact CD2-CE2 4.15Å; L436-Y522 HydrophobicContact CD2-CG 4.33Å; T453-Y522 WeakPolarHBondContact O-CA 3.48Å; L454-Y522 HydrophobicContact CB-CD1 4.11Å; L454-Y522 HydrophobicContact CB-CE1 3.66Å; L454-Y522 HydrophobicContact CD1-CD1 4.34Å; L454-Y522 HydrophobicContact CD1-CD2 4.04Å; L454-Y522 HydrophobicContact CD1-CE1 3.87Å; L454-Y522 HydrophobicContact CD1-CE2 3.54Å; L454-Y522 HydrophobicContact CD1-CG 4.42Å; L454-Y522 VanDerWaalsContact CD1-CZ 3.45Å; L454-Y522 HydrophobicContact CG-CE1 4.34Å; L520-Y522 HydrophobicContact CB-CD2 4.18Å; L520-Y522 HydrophobicContact CB-CE2 3.86Å; L520-Y522 HydrophobicContact CD1-CE2 4.05Å
523	I	93.8	Very high	75.7	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.1	175.7	-62.2	177.8	0	0	0	108.9	Y452 T453 H455 D525 C527 M528	Y452-I523 CarbonylContact C-O 3.56Å; Y452-I523 WeakPolarHBondContact CA-O 3.45Å; Y452-I523 VanDerWaalsContact CD1-C 3.47Å; T453-I523 PolarHBondContact N-O 3.39Å; T453-I523 PolarHBondContact O-N 2.84Å; H455-I523 HydrophobicContact CB-CD1 3.73Å; H455-I523 HydrophobicContact CB-CG1 3.8Å; H455-I523 VanDerWaalsContact CG-CD1 3.43Å; I523-D525 PolarHBondContact O-N 2.93Å; I523-C527 HydrophobicContact CG2-CB 4.35Å; I523-M528 HydrophobicContact CB-SD 4.15Å; I523-M528 HydrophobicContact CG2-CG 3.95Å; I523-M528 HydrophobicContact CG2-SD 3.99Å
524	R	93.7	Very high	74.3	Confident	13 Å²	13	41.9 Å²	41.9	5%	0.049	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132.1	178.2	-167	-179.9	-75.7	-160.8	-12.7	110.2	F403 P405 E446 T448 K451 Y452 S526 C527	F403-R524 PolarHBondContact O-NH2 2.86Å; P405-R524 PolarHBondContact O-N 3.03Å; E446-R524 IonicContact OE1-NH1 3.65Å; E446-R524 IonicContact OE2-CZ 3.9Å; E446-R524 IonicContact OE2-NH1 3.13Å; E446-R524 PolarHBondContact OE2-NH1 3.07Å; E446-R524 IonicContact OE2-NH2 2.71Å; E446-R524 PolarHBondContact OE2-NH2 2.66Å; T448-R524 PolarHBondContact OG1-NH1 3.12Å; K451-R524 WeakPolarHBondContact O-CA 3.27Å; Y452-R524 HydrophobicContact CD1-CB 4.07Å; Y452-R524 VanDerWaalsContact CD1-N 3.29Å; Y452-R524 HydrophobicContact CE1-CB 3.7Å; Y452-R524 HydrophobicContact CE1-CG 4.41Å; Y452-R524 PolarHBondContact OH-NE 2.83Å; Y452-R524 PolarHBondContact OH-NH2 3.01Å; R524-S526 WeakPolarHBondContact CD-OG 3.25Å; R524-S526 WeakPolarHBondContact CG-OG 3.43Å; R524-S526 PolarHBondContact O-N 3.27Å; R524-S526 VanDerWaalsContact O-N 3.17Å; R524-C527 WeakPolarHBondContact O-CB 3.35Å; R524-C527 PolarHBondContact O-N 3.46Å
525	D	91.2	Very high	72.6	Confident	59 Å²	59	43.9 Å²	43.9	32%	0.316	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59.1	-33.9	-173.7	-78.8	10.1	0	0	0	112.3	K435 K451 T453 I523 C527 M528	K435-D525 IonicContact NZ-OD1 3.6Å; K435-D525 PolarHBondContact NZ-OD1 3.44Å; K435-D525 IonicContact NZ-OD2 3.68Å; K435-D525 PolarHBondContact NZ-OD2 2.8Å; K451-D525 PolarHBondContact O-N 3.27Å; T453-D525 PolarHBondContact N-OD1 3.33Å; T453-D525 PolarHBondContact OG1-OD1 3.21Å; I523-D525 PolarHBondContact O-N 2.93Å; D525-C527 PolarHBondContact O-N 2.87Å; D525-C527 VanDerWaalsContact O-N 3.16Å; D525-M528 WeakPolarHBondContact O-CB 3.28Å; D525-M528 PolarHBondContact O-N 3.36Å; D525-M528 VanDerWaalsContact O-N 3.15Å
526	S	87.4	Confident	70	Confident	71 Å²	71	47.9 Å²	47.9	50%	0.497	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.3	174.8	60.6	0	0	0	0	114	R524	R524-S526 WeakPolarHBondContact CD-OG 3.25Å; R524-S526 WeakPolarHBondContact CG-OG 3.43Å; R524-S526 PolarHBondContact O-N 3.27Å; R524-S526 VanDerWaalsContact O-N 3.17Å
527	C	82.8	Confident	67.5	Low	23 Å²	23	51 Å²	51	16%	0.155	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-93.6	-12.8	179	-71.6	0	0	0	0	113.8	I523 R524 D525 G529 T530	I523-C527 HydrophobicContact CG2-CB 4.35Å; R524-C527 WeakPolarHBondContact O-CB 3.35Å; R524-C527 PolarHBondContact O-N 3.46Å; D525-C527 PolarHBondContact O-N 2.87Å; D525-C527 VanDerWaalsContact O-N 3.16Å; C527-G529 PolarHBondContact O-N 3.4Å; C527-G529 VanDerWaalsContact O-N 3.14Å; C527-T530 PolarHBondContact O-OG1 2.89Å; C527-T530 VanDerWaalsContact O-OG1 3.13Å
528	M	70.7	Confident	65.3	Low	44 Å²	44	55.4 Å²	55.4	22%	0.217	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-2.3	-172	-71.5	-93.9	-79.1	0	0	114.8	T453 G477 I523 D525	T453-M528 HydrophobicContact CG2-CE 3.74Å; G477-M528 VanDerWaalsContact O-CE 3.26Å; G477-M528 WeakPolarHBondContact O-CE 3.45Å; I523-M528 HydrophobicContact CB-SD 4.15Å; I523-M528 HydrophobicContact CG2-CG 3.95Å; I523-M528 HydrophobicContact CG2-SD 3.99Å; D525-M528 WeakPolarHBondContact O-CB 3.28Å; D525-M528 PolarHBondContact O-N 3.36Å; D525-M528 VanDerWaalsContact O-N 3.15Å
529	G	56.7	Low	63	Low	77 Å²	77	60.7 Å²	60.7	79%	0.794	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-6	180	0	0	0	0	0	116.7	C527 H531	C527-G529 PolarHBondContact O-N 3.4Å; C527-G529 VanDerWaalsContact O-N 3.14Å; G529-H531 VanDerWaalsContact C-N 3.25Å; G529-H531 PolarHBondContact O-N 3.49Å
530	T	45.5	Very low	60.7	Low	81 Å²	81	65.4 Å²	65.4	50%	0.497	40%	0.396	S	S	.	.			trans	-89.2	21.1	-174.6	48.1	0	0	0	0	114.2	K223 C527 G532	K223-T530 WeakPolarHBondContact CE-OG1 3.42Å; C527-T530 PolarHBondContact O-OG1 2.89Å; C527-T530 VanDerWaalsContact O-OG1 3.13Å; T530-G532 VanDerWaalsContact C-N 3.3Å; T530-G532 PolarHBondContact O-N 3.32Å; T530-G532 VanDerWaalsContact O-N 3.07Å
531	H	40.9	Very low	58.4	Low	79 Å²	79	67 Å²	67	37%	0.366	40%	0.403	S	S	.	.			trans	-89.1	65.9	-173.1	-66.5	21.6	0	0	0	110.5	G529	G529-H531 VanDerWaalsContact C-N 3.25Å; G529-H531 PolarHBondContact O-N 3.49Å
532	G	28.7	Very low	56.3	Low	49 Å²	49	70.1 Å²	70.1	51%	0.505	43%	0.429	S	S	.	.			trans	-131	145.4	178.7	0	0	0	0	0	112.1	K226 T530	K226-G532 PolarHBondContact NZ-O 2.93Å; K226-G532 VanDerWaalsContact NZ-O 3.12Å; T530-G532 VanDerWaalsContact C-N 3.3Å; T530-G532 PolarHBondContact O-N 3.32Å; T530-G532 VanDerWaalsContact O-N 3.07Å
533	A	27.9	Very low	54.1	Low	81 Å²	81	76 Å²	76	67%	0.669	46%	0.457	S	S	*	.			trans	78.2	87.9	-174.1	0	0	0	0	0	115.6	M535	A533-M535 PolarHBondContact O-N 2.92Å
534	M	29.5	Very low	52.3	Low	183 Å²	183	81.9 Å²	81.9	90%	0.901	48%	0.478	S	S	*	.			trans	-53.7	114.9	146.7	-175.8	171.7	169.8	0	0	107.4
535	M	38.4	Very low	50.6	Low	89 Å²	89	86.6 Å²	86.6	44%	0.438	50%	0.499	S	S	.	.			trans	-87.8	113.2	-176.4	-162.7	160.3	120.2	0	0	109	Q254 A533 M537	Q254-M535 PolarHBondContact NE2-O 2.85Å; A533-M535 PolarHBondContact O-N 2.92Å; M535-M537 HydrophobicContact CE-CG 3.69Å; M535-M537 HydrophobicContact CE-SD 3.68Å; M535-M537 HydrophobicContact CG-CG 4.31Å; M535-M537 PolarHBondContact O-N 3.26Å
536	T	32.6	Very low	49	Very low	112 Å²	112	92.1 Å²	92.1	69%	0.687	52%	0.516	S	S	*	.			trans	-78.2	92.3	170.2	46.2	0	0	0	0	108.8	V538	T536-V538 HydrophobicContact CG2-CG2 4.37Å
537	M	38.9	Very low	47.4	Very low	66 Å²	66	93 Å²	93	33%	0.325	51%	0.512	S	S	.	.			trans	-100	73.8	160.4	-68.9	-145.9	-47	0	0	108.4	Y251 F255 M535	Y251-M537 HydrophobicContact CD2-CE 4.39Å; Y251-M537 HydrophobicContact CE2-CE 4.33Å; F255-M537 HydrophobicContact CZ-CB 4.31Å; M535-M537 HydrophobicContact CE-CG 3.69Å; M535-M537 HydrophobicContact CE-SD 3.68Å; M535-M537 HydrophobicContact CG-CG 4.31Å; M535-M537 PolarHBondContact O-N 3.26Å
538	V	45.6	Very low	46.3	Very low	92 Å²	92	99.6 Å²	99.6	56%	0.558	54%	0.538	S	S	*	.			trans	-85	-17.1	-170.4	176.9	0	0	0	0	112.9	T536	T536-V538 HydrophobicContact CG2-CG2 4.37Å
539	D	41.5	Very low	45.9	Very low	135 Å²	135	101 Å²	101	72%	0.722	55%	0.552	S	S	*	*	H	α-helix	trans	-88.9	-26.9	-167	-64.5	-35.3	0	0	0	115.4
540	L	45.4	Very low	46.5	Very low	107 Å²	107	100.8 Å²	100.8	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-79.4	-22.2	-177.7	-82	152.9	0	0	0	114	R544	L540-R544 PolarHBondContact O-N 3.47Å
541	E	45.7	Very low	47.5	Very low	33 Å²	33	99.3 Å²	99.3	15%	0.154	53%	0.526	C	S	.	.	H	α-helix	trans	-88.9	-36.2	-175.6	-136.5	164.9	175.4	0	0	114.1	Y251 F255 Q543 R544 K545	Y251-E541 VanDerWaalsContact CE1-CD 3.47Å; Y251-E541 HydrophobicContact CE1-CG 3.73Å; Y251-E541 WeakPolarHBondContact OH-CA 3.4Å; Y251-E541 WeakPolarHBondContact OH-CB 3.26Å; Y251-E541 VanDerWaalsContact OH-CD 3.3Å; Y251-E541 WeakPolarHBondContact OH-CG 3.24Å; Y251-E541 PolarHBondContact OH-N 2.86Å; Y251-E541 PolarHBondContact OH-OE2 3.24Å; F255-E541 WeakPolarHBondContact CB-OE1 3.37Å; F255-E541 WeakPolarHBondContact CB-OE2 3.3Å; F255-E541 VanDerWaalsContact CG-OE2 3.3Å; F255-E541 WeakPolarHBondContact CG-OE2 3.48Å; E541-Q543 PolarHBondContact O-N 3.31Å; E541-R544 PolarHBondContact O-N 3.36Å; E541-K545 WeakPolarHBondContact O-CB 3.27Å; E541-K545 PolarHBondContact O-N 3.48Å
542	A	50.2	Low	49.1	Very low	66 Å²	66	101.9 Å²	101.9	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-57	-38.7	173.3	0	0	0	0	0	109.8	R546	A542-R546 WeakPolarHBondContact O-CB 2.88Å; A542-R546 PolarHBondContact O-N 3.16Å
543	Q	50	Low	51.5	Low	125 Å²	125	103.6 Å²	103.6	58%	0.584	54%	0.535	S	S	*	.	H	α-helix	trans	-69.7	-46.9	176.7	-160.9	156.9	-13.5	0	0	112.2	E541 R546 E547	E541-Q543 PolarHBondContact O-N 3.31Å; Q543-R546 WeakPolarHBondContact O-CB 3.19Å; Q543-R546 PolarHBondContact O-N 3.23Å; Q543-E547 WeakPolarHBondContact O-CG 3.41Å; Q543-E547 PolarHBondContact O-N 3.36Å
544	R	56.2	Low	54	Low	134 Å²	134	101.8 Å²	101.8	51%	0.506	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-36.3	178.9	-81.9	-178.1	164.6	165.7	2.7	114.8	L540 E541 E547 K548	L540-R544 PolarHBondContact O-N 3.47Å; E541-R544 PolarHBondContact O-N 3.36Å; R544-E547 PolarHBondContact O-N 2.9Å; R544-K548 PolarHBondContact O-N 3.3Å
545	K	56.5	Low	56.7	Low	113 Å²	113	93.4 Å²	93.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-42.2	174.1	-89.5	-175.9	176.9	175.6	0	110.3	D257 E541 K548 S549	D257-K545 IonicContact OD2-NZ 3.84Å; E541-K545 WeakPolarHBondContact O-CB 3.27Å; E541-K545 PolarHBondContact O-N 3.48Å; K545-K548 PolarHBondContact O-N 3.2Å; K545-S549 PolarHBondContact O-N 3.36Å; K545-S549 PolarHBondContact O-OG 3.22Å; K545-S549 VanDerWaalsContact O-OG 3.13Å
546	R	57.3	Low	59	Low	174 Å²	174	91.8 Å²	91.8	66%	0.657	46%	0.464	S	S	*	.	H	α-helix	trans	-59.4	-47.4	172.7	-124.8	177.8	-178.5	162	2.4	111.6	A542 Q543 K548 S549 E550	A542-R546 WeakPolarHBondContact O-CB 2.88Å; A542-R546 PolarHBondContact O-N 3.16Å; Q543-R546 WeakPolarHBondContact O-CB 3.19Å; Q543-R546 PolarHBondContact O-N 3.23Å; R546-K548 VanDerWaalsContact C-N 3.35Å; R546-K548 PolarHBondContact O-N 3.47Å; R546-S549 WeakPolarHBondContact CA-OG 3.3Å; R546-S549 PolarHBondContact O-N 3.24Å; R546-S549 PolarHBondContact O-OG 3.07Å; R546-E550 WeakPolarHBondContact O-CB 3.45Å; R546-E550 VanDerWaalsContact O-CG 3.28Å; R546-E550 WeakPolarHBondContact O-CG 3.26Å; R546-E550 PolarHBondContact O-N 3.31Å
547	E	55.4	Low	61.6	Low	91 Å²	91	86.4 Å²	86.4	43%	0.425	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-39.3	179.2	-76.3	174.2	-178.8	0	0	113.2	Q543 R544 A551	Q543-E547 WeakPolarHBondContact O-CG 3.41Å; Q543-E547 PolarHBondContact O-N 3.36Å; R544-E547 PolarHBondContact O-N 2.9Å; E547-A551 WeakPolarHBondContact O-CA 3.38Å; E547-A551 WeakPolarHBondContact O-CB 3.44Å; E547-A551 PolarHBondContact O-N 3.25Å
548	K	59.1	Low	64	Low	161 Å²	161	83.3 Å²	83.3	70%	0.7	42%	0.416	S	S	*	.	H	α-helix	trans	-71.1	-42.4	175.9	-85.7	-176	179.7	172.8	0	112.5	R544 K545 R546 E550 A551	R544-K548 PolarHBondContact O-N 3.3Å; K545-K548 PolarHBondContact O-N 3.2Å; R546-K548 VanDerWaalsContact C-N 3.35Å; R546-K548 PolarHBondContact O-N 3.47Å; K548-E550 PolarHBondContact O-N 3.17Å; K548-A551 PolarHBondContact O-N 3.21Å
549	S	62.8	Low	66.1	Low	72 Å²	72	79 Å²	79	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-64.6	-31.4	176.4	53.8	0	0	0	0	111.7	K545 R546 H552	K545-S549 PolarHBondContact O-N 3.36Å; K545-S549 PolarHBondContact O-OG 3.22Å; K545-S549 VanDerWaalsContact O-OG 3.13Å; R546-S549 WeakPolarHBondContact CA-OG 3.3Å; R546-S549 PolarHBondContact O-N 3.24Å; R546-S549 PolarHBondContact O-OG 3.07Å; S549-H552 PolarHBondContact O-CE1 3.46Å; S549-H552 PolarHBondContact O-ND1 3.06Å
550	E	68.6	Low	68.4	Low	74 Å²	74	72.6 Å²	72.6	35%	0.346	36%	0.356	S	S	.	.	H	α-helix	trans	-93	-8.2	-179.7	-64.3	175.6	-170.2	0	0	113.2	R546 K548 H552 L553 F554	R546-E550 WeakPolarHBondContact O-CB 3.45Å; R546-E550 VanDerWaalsContact O-CG 3.28Å; R546-E550 WeakPolarHBondContact O-CG 3.26Å; R546-E550 PolarHBondContact O-N 3.31Å; K548-E550 PolarHBondContact O-N 3.17Å; E550-H552 VanDerWaalsContact C-N 3.25Å; E550-H552 PolarHBondContact O-N 3.49Å; E550-L553 HydrophobicContact CB-CD1 4.22Å; E550-L553 HydrophobicContact CG-CD1 4.31Å; E550-L553 VanDerWaalsContact O-CB 3.24Å; E550-L553 WeakPolarHBondContact O-CB 3.49Å; E550-L553 PolarHBondContact O-N 3.45Å; E550-F554 HydrophobicContact CB-CE2 4.08Å; E550-F554 WeakPolarHBondContact O-CD2 3.34Å
551	A	67.6	Low	70.5	Confident	49 Å²	49	68.8 Å²	68.8	41%	0.405	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.9	-174.7	0	0	0	0	0	113.3	E547 K548 L553 F554	E547-A551 WeakPolarHBondContact O-CA 3.38Å; E547-A551 WeakPolarHBondContact O-CB 3.44Å; E547-A551 PolarHBondContact O-N 3.25Å; K548-A551 PolarHBondContact O-N 3.21Å; A551-L553 PolarHBondContact O-N 3.14Å; A551-F554 PolarHBondContact O-N 2.76Å; A551-F554 VanDerWaalsContact O-N 3.11Å
552	H	73.4	Confident	72.5	Confident	133 Å²	133	69.1 Å²	69.1	62%	0.616	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64	-19.9	177.6	73.8	-80.2	0	0	0	113.4	S549 E550 F554 R590	S549-H552 PolarHBondContact O-CE1 3.46Å; S549-H552 PolarHBondContact O-ND1 3.06Å; E550-H552 VanDerWaalsContact C-N 3.25Å; E550-H552 PolarHBondContact O-N 3.49Å; H552-F554 VanDerWaalsContact C-N 3.27Å; H552-F554 PolarHBondContact O-N 2.65Å; H552-R590 VanDerWaalsContact O-CD 3.31Å; H552-R590 WeakPolarHBondContact O-CD 3.31Å; H552-R590 PolarHBondContact O-NE 3.31Å
553	L	79.3	Confident	74.1	Confident	85 Å²	85	70.4 Å²	70.4	45%	0.445	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-79.8	-8.7	177.3	-58.6	171.7	0	0	0	112.9	E550 A551 K589 R590	E550-L553 HydrophobicContact CB-CD1 4.22Å; E550-L553 HydrophobicContact CG-CD1 4.31Å; E550-L553 VanDerWaalsContact O-CB 3.24Å; E550-L553 WeakPolarHBondContact O-CB 3.49Å; E550-L553 PolarHBondContact O-N 3.45Å; A551-L553 PolarHBondContact O-N 3.14Å; L553-K589 CarbonylContact O-C 3.57Å; L553-K589 WeakPolarHBondContact O-CA 3.22Å; L553-R590 PolarHBondContact O-N 3.25Å
554	F	81	Confident	75.7	Confident	43 Å²	43	65 Å²	65	19%	0.189	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.4	-177.2	-61.1	-92.6	0	0	0	112	E550 A551 H552 R587 V588 K589 R590	E550-F554 HydrophobicContact CB-CE2 4.08Å; E550-F554 WeakPolarHBondContact O-CD2 3.34Å; A551-F554 PolarHBondContact O-N 2.76Å; A551-F554 VanDerWaalsContact O-N 3.11Å; H552-F554 VanDerWaalsContact C-N 3.27Å; H552-F554 PolarHBondContact O-N 2.65Å; F554-R587 HydrophobicContact CB-CG 3.84Å; F554-R587 HydrophobicContact CD1-CG 3.77Å; F554-R587 HydrophobicContact CG-CG 3.97Å; F554-R587 VanDerWaalsContact CG-NE 3.31Å; F554-V588 CarbonylContact C-O 3.37Å; F554-V588 VanDerWaalsContact CA-O 3.24Å; F554-V588 WeakPolarHBondContact CA-O 3.4Å; F554-V588 WeakPolarHBondContact CB-O 3.29Å; F554-K589 HydrophobicContact CD1-CG 3.99Å; F554-K589 HydrophobicContact CE1-CG 3.64Å; F554-K589 HydrophobicContact CZ-CG 4.26Å; F554-R590 PolarHBondContact O-NE 3.3Å; F554-R590 VanDerWaalsContact O-NE 3.14Å
555	C	85	Confident	77.2	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	166.3	167.7	63	0	0	0	0	109	V588 R590	C555-V588 PolarHBondContact N-O 3.13Å; C555-V588 PolarHBondContact O-N 3.29Å; C555-R590 HydrophobicContact CB-CG 3.94Å
556	L	86.6	Confident	78.4	Confident	55 Å²	55	59.7 Å²	59.7	29%	0.288	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.1	178.1	-166	72.2	0	0	0	109	K585 T646 E647 V648	L556-K585 HydrophobicContact CD1-CB 4.01Å; L556-K585 HydrophobicContact CD2-CD 3.73Å; L556-K585 HydrophobicContact CD2-CG 4.2Å; L556-K585 HydrophobicContact CG-CB 4.33Å; L556-K585 HydrophobicContact CG-CD 4.46Å; L556-K585 HydrophobicContact CG-CG 4.45Å; L556-T646 PolarHBondContact N-O 3.37Å; L556-E647 HydrophobicContact CB-CB 4.41Å; L556-E647 HydrophobicContact CB-CG 4.3Å; L556-E647 HydrophobicContact CD2-CG 4.08Å; L556-E647 HydrophobicContact CG-CG 4.47Å; L556-E647 CarbonylContact O-C 3.48Å; L556-E647 VanDerWaalsContact O-CA 3.26Å; L556-E647 WeakPolarHBondContact O-CA 3.4Å; L556-V648 PolarHBondContact O-N 2.99Å
557	L	88.4	Confident	79.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.6	171.2	173	69	0	0	0	108.4	I559 K585 F586 V588 L597 V648 V650	L557-I559 HydrophobicContact CD1-CD1 3.91Å; L557-I559 HydrophobicContact CD2-CD1 3.94Å; L557-I559 HydrophobicContact CD2-CG1 4.45Å; L557-I559 HydrophobicContact CG-CD1 3.76Å; L557-I559 HydrophobicContact CG-CG1 4.27Å; L557-K585 CarbonylContact O-C 3.51Å; L557-K585 WeakPolarHBondContact O-CA 3.45Å; L557-F586 HydrophobicContact CB-CB 4.34Å; L557-F586 PolarHBondContact N-O 3.27Å; L557-F586 PolarHBondContact O-N 2.86Å; L557-V588 HydrophobicContact CB-CG1 4.16Å; L557-V588 HydrophobicContact CB-CG2 3.84Å; L557-V588 HydrophobicContact CD2-CG1 4.08Å; L557-L597 HydrophobicContact CD1-CD1 4.24Å; L557-L597 HydrophobicContact CD2-CD1 4.3Å; L557-L597 HydrophobicContact CD2-CD2 3.63Å; L557-V648 WeakPolarHBondContact CA-O 3.37Å; L557-V648 HydrophobicContact CD1-CB 4.43Å; L557-V648 HydrophobicContact CD1-CG1 4.32Å; L557-V650 HydrophobicContact CD1-CB 4.31Å; L557-V650 HydrophobicContact CD1-CG2 3.66Å
558	S	89.1	Confident	80.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.4	178	-67.4	0	0	0	0	109.1	E647 V648 L649 V650	S558-E647 WeakPolarHBondContact CB-OE1 3.49Å; S558-E647 PolarHBondContact OG-OE1 3.44Å; S558-V648 PolarHBondContact N-O 2.97Å; S558-L649 WeakPolarHBondContact O-CA 3.47Å; S558-V650 PolarHBondContact O-N 3.14Å
559	I	90	Very high	82.1	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.3	178.1	-57.3	-56.3	0	0	0	108.8	L557 S583 R584 F586 L601 V650 M652	L557-I559 HydrophobicContact CD1-CD1 3.91Å; L557-I559 HydrophobicContact CD2-CD1 3.94Å; L557-I559 HydrophobicContact CD2-CG1 4.45Å; L557-I559 HydrophobicContact CG-CD1 3.76Å; L557-I559 HydrophobicContact CG-CG1 4.27Å; I559-S583 CarbonylContact O-C 3.49Å; I559-S583 WeakPolarHBondContact O-CA 3.42Å; I559-R584 PolarHBondContact N-O 3.36Å; I559-R584 PolarHBondContact O-N 2.7Å; I559-F586 HydrophobicContact CB-CE2 4.36Å; I559-F586 HydrophobicContact CG1-CD2 3.88Å; I559-F586 HydrophobicContact CG1-CE2 3.79Å; I559-L601 HydrophobicContact CD1-CD1 4Å; I559-L601 HydrophobicContact CD1-CD2 4.39Å; I559-L601 HydrophobicContact CG1-CD2 4.14Å; I559-V650 WeakPolarHBondContact CA-O 3.43Å; I559-V650 HydrophobicContact CD1-CB 3.88Å; I559-V650 HydrophobicContact CD1-CG1 4.32Å; I559-M652 HydrophobicContact CG2-CB 3.71Å; I559-M652 HydrophobicContact CG2-SD 4.11Å
560	V	89.5	Confident	83	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.4	170.5	-66.9	0	0	0	0	109.8	A564 F565 I574 L579 F618 L649 V650 F651 M652	V560-A564 HydrophobicContact CB-CB 4.18Å; V560-A564 HydrophobicContact CG1-CB 4.45Å; V560-F565 HydrophobicContact CG2-CE1 4.43Å; V560-F565 HydrophobicContact CG2-CZ 4.46Å; V560-I574 HydrophobicContact CG1-CD1 4.13Å; V560-L579 HydrophobicContact CG1-CD2 3.79Å; V560-F618 HydrophobicContact CG2-CE2 3.91Å; V560-F618 HydrophobicContact CG2-CZ 4.19Å; V560-L649 HydrophobicContact CG1-CD1 3.89Å; V560-L649 HydrophobicContact CG2-CD1 4.19Å; V560-V650 PolarHBondContact N-O 3.02Å; V560-F651 HydrophobicContact CG2-CB 4.26Å; V560-F651 CarbonylContact O-C 3.51Å; V560-F651 WeakPolarHBondContact O-CA 3.26Å; V560-F651 WeakPolarHBondContact O-CD2 3.39Å; V560-M652 PolarHBondContact O-N 2.78Å
561	T	89.1	Confident	83.5	Confident	26 Å²	26	47.8 Å²	47.8	16%	0.16	28%	0.278	C	S	.	.			trans	-111.2	174.8	175	37	0	0	0	0	109.2	D563 A564 M652 L654	T561-D563 WeakPolarHBondContact CA-OD1 3.47Å; T561-D563 WeakPolarHBondContact CB-OD1 3.47Å; T561-D563 PolarHBondContact O-N 3.15Å; T561-D563 PolarHBondContact OG1-OD1 3.3Å; T561-A564 VanDerWaalsContact O-CB 3.3Å; T561-A564 WeakPolarHBondContact O-CB 3.26Å; T561-A564 PolarHBondContact O-N 2.62Å; T561-A564 VanDerWaalsContact O-N 3.1Å; T561-M652 HydrophobicContact CG2-CB 4.11Å; T561-L654 HydrophobicContact CG2-CD1 3.73Å; T561-L654 HydrophobicContact CG2-CG 4.1Å
562	S	87.3	Confident	84.3	Confident	41 Å²	41	47.3 Å²	47.3	29%	0.287	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-66.2	-24.3	-171.8	51.7	0	0	0	0	114.1	A564 F565	S562-A564 PolarHBondContact O-N 2.98Å; S562-F565 WeakPolarHBondContact O-CB 3.27Å; S562-F565 PolarHBondContact O-N 3.32Å; S562-F565 VanDerWaalsContact O-N 3.13Å
563	D	84.8	Confident	84.7	Confident	93 Å²	93	41.5 Å²	41.5	50%	0.497	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58.6	-31.3	171.6	61.1	-36.4	0	0	0	112.4	T561 F565 E566	T561-D563 WeakPolarHBondContact CA-OD1 3.47Å; T561-D563 WeakPolarHBondContact CB-OD1 3.47Å; T561-D563 PolarHBondContact O-N 3.15Å; T561-D563 PolarHBondContact OG1-OD1 3.3Å; D563-F565 PolarHBondContact O-N 3.01Å; D563-E566 WeakPolarHBondContact O-CB 3.31Å; D563-E566 PolarHBondContact O-N 3.07Å; D563-E566 VanDerWaalsContact O-N 3.15Å
564	A	82.9	Confident	84.7	Confident	10 Å²	10	37.7 Å²	37.7	8%	0.083	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.3	177.1	0	0	0	0	0	113.4	V560 T561 S562 I574 I582	V560-A564 HydrophobicContact CB-CB 4.18Å; V560-A564 HydrophobicContact CG1-CB 4.45Å; T561-A564 VanDerWaalsContact O-CB 3.3Å; T561-A564 WeakPolarHBondContact O-CB 3.26Å; T561-A564 PolarHBondContact O-N 2.62Å; T561-A564 VanDerWaalsContact O-N 3.1Å; S562-A564 PolarHBondContact O-N 2.98Å; A564-I574 HydrophobicContact CB-CD1 4.03Å; A564-I582 HydrophobicContact CB-CB 4.15Å; A564-I582 HydrophobicContact CB-CD1 4.1Å; A564-I582 HydrophobicContact CB-CG1 4.05Å
565	F	87.2	Confident	84.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-92.6	-14	178.4	-50.6	-30.5	0	0	0	112.4	V560 S562 D563 G567 H568 L573 I574 F651 F676 Y689	V560-F565 HydrophobicContact CG2-CE1 4.43Å; V560-F565 HydrophobicContact CG2-CZ 4.46Å; S562-F565 WeakPolarHBondContact O-CB 3.27Å; S562-F565 PolarHBondContact O-N 3.32Å; S562-F565 VanDerWaalsContact O-N 3.13Å; D563-F565 PolarHBondContact O-N 3.01Å; F565-G567 PolarHBondContact O-N 3.26Å; F565-H568 PolarHBondContact O-N 2.73Å; F565-L573 HydrophobicContact CD1-CB 3.87Å; F565-L573 HydrophobicContact CE1-CB 4Å; F565-L573 HydrophobicContact CE2-CD1 4.38Å; F565-L573 HydrophobicContact CG-CB 4.23Å; F565-L573 HydrophobicContact CZ-CB 4.44Å; F565-L573 HydrophobicContact CZ-CD1 4.36Å; F565-I574 HydrophobicContact CD1-CB 4.25Å; F565-I574 HydrophobicContact CE1-CB 4.35Å; F565-I574 HydrophobicContact CE1-CD1 4.41Å; F565-F651 AromaticContact CE2-CD2 3.72Å; F565-F651 HydrophobicContact CE2-CD2 3.72Å; F565-F651 AromaticContact CE2-CE2 3.56Å; F565-F651 HydrophobicContact CE2-CE2 3.56Å; F565-F651 HydrophobicContact CE2-CG 4.41Å; F565-F651 HydrophobicContact CE2-CZ 4.12Å; F565-F651 AromaticContact CZ-CD2 3.63Å; F565-F651 HydrophobicContact CZ-CD2 3.63Å; F565-F651 AromaticContact CZ-CE2 3.98Å; F565-F651 HydrophobicContact CZ-CE2 3.98Å; F565-F651 HydrophobicContact CZ-CG 4.21Å; F565-F676 HydrophobicContact CD2-CD1 4.42Å; F565-F676 HydrophobicContact CD2-CE1 4.28Å; F565-F676 HydrophobicContact CE2-CD1 4.31Å; F565-F676 AromaticContact CE2-CE1 3.76Å; F565-F676 HydrophobicContact CE2-CE1 3.76Å; F565-Y689 HydrophobicContact CB-CD1 4Å; F565-Y689 HydrophobicContact CB-CD2 4.14Å; F565-Y689 HydrophobicContact CB-CE1 4.17Å; F565-Y689 HydrophobicContact CB-CE2 4.31Å; F565-Y689 HydrophobicContact CB-CG 3.98Å; F565-Y689 HydrophobicContact CD2-CE1 4.25Å; F565-Y689 HydrophobicContact CD2-CE2 4.2Å; F565-Y689 AromaticContact CD2-CZ 3.86Å
566	E	82.8	Confident	83.9	Confident	137 Å²	137	43.6 Å²	43.6	64%	0.64	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	133.4	179.5	-65.4	-175.7	-172.8	0	0	110.8	D563 H568 Y689	D563-E566 WeakPolarHBondContact O-CB 3.31Å; D563-E566 PolarHBondContact O-N 3.07Å; D563-E566 VanDerWaalsContact O-N 3.15Å; E566-H568 VanDerWaalsContact C-N 3.27Å; E566-H568 PolarHBondContact O-N 2.87Å; E566-Y689 HydrophobicContact CG-CD1 4.24Å
567	G	81.3	Confident	83.2	Confident	56 Å²	56	47.2 Å²	47.2	58%	0.577	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-8.9	179.3	0	0	0	0	0	116	F565 Q569	F565-G567 PolarHBondContact O-N 3.26Å; G567-Q569 PolarHBondContact O-N 2.52Å; G567-Q569 PolarHBondContact O-NE2 2.81Å
568	H	83.5	Confident	82.5	Confident	25 Å²	25	51.3 Å²	51.3	12%	0.116	29%	0.289	C	S	.	.			trans	-71.2	117.6	-179.4	-178.4	62.3	0	0	0	112.8	F565 E566 G570 E572 L573 E575	F565-H568 PolarHBondContact O-N 2.73Å; E566-H568 VanDerWaalsContact C-N 3.27Å; E566-H568 PolarHBondContact O-N 2.87Å; H568-G570 PolarHBondContact CE1-N 3.39Å; H568-G570 VanDerWaalsContact NE2-CA 3.27Å; H568-G570 WeakPolarHBondContact NE2-CA 3.41Å; H568-G570 PolarHBondContact NE2-N 3.14Å; H568-E572 PolarHBondContact CD2-O 3.17Å; H568-E572 PolarHBondContact NE2-O 3.1Å; H568-L573 PolarHBondContact CD2-O 3.25Å; H568-E575 IonicContact CE1-OE2 2.76Å
569	Q	83.2	Confident	81.7	Confident	94 Å²	94	51.8 Å²	51.8	44%	0.439	29%	0.292	S	S	.	.			trans	-87.9	-8.9	-174.8	-59.3	-54.6	-54.6	0	0	114.4	G567 V686 T687	G567-Q569 PolarHBondContact O-N 2.52Å; G567-Q569 PolarHBondContact O-NE2 2.81Å; Q569-V686 VanDerWaalsContact OE1-CA 3.27Å; Q569-T687 PolarHBondContact NE2-O 3.29Å; Q569-T687 PolarHBondContact OE1-O 2.91Å
570	G	82.9	Confident	80.8	Confident	22 Å²	22	59 Å²	59	23%	0.227	33%	0.325	C	S	.	.	S	Bend	trans	-79.9	175.2	-176.4	0	0	0	0	0	114.5	H568 K678	H568-G570 PolarHBondContact CE1-N 3.39Å; H568-G570 VanDerWaalsContact NE2-CA 3.27Å; H568-G570 WeakPolarHBondContact NE2-CA 3.41Å; H568-G570 PolarHBondContact NE2-N 3.14Å; G570-K678 PolarHBondContact O-NZ 3.49Å
571	P	79.4	Confident	80	Confident	125 Å²	125	67 Å²	67	81%	0.812	36%	0.363	S	S	*	.	S	Bend	trans	-71	-28.6	-177	28	-34.4	0	0	0	113.8
572	E	84.5	Confident	79.5	Confident	38 Å²	38	68.9 Å²	68.9	18%	0.178	37%	0.371	C	S	.	.	S	Bend	trans	-91.5	-177.7	178.4	-66.4	-57.6	144.8	0	0	111.1	H568 L624 R625 K678	H568-E572 PolarHBondContact CD2-O 3.17Å; H568-E572 PolarHBondContact NE2-O 3.1Å; E572-L624 HydrophobicContact CB-CB 4.5Å; E572-R625 IonicContact OE1-CZ 3.68Å; E572-R625 IonicContact OE1-NE 3.69Å; E572-R625 IonicContact OE1-NH2 3.29Å; E572-R625 PolarHBondContact OE1-NH2 3.11Å; E572-R625 VanDerWaalsContact OE2-CG 3.26Å; E572-R625 WeakPolarHBondContact OE2-CG 3.45Å; E572-R625 IonicContact OE2-CZ 3.5Å; E572-R625 IonicContact OE2-NE 3.66Å; E572-R625 PolarHBondContact OE2-NE 2.93Å; E572-R625 IonicContact OE2-NH2 2.57Å; E572-K678 WeakPolarHBondContact O-CE 3.35Å; E572-K678 PolarHBondContact O-NZ 2.73Å
573	L	80.6	Confident	79.3	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.063	36%	0.363	C	S	.	.	S	Bend	trans	-74.5	-29	179.4	-69.6	170.2	0	0	0	113	F565 H568 P626 F676	F565-L573 HydrophobicContact CD1-CB 3.87Å; F565-L573 HydrophobicContact CE1-CB 4Å; F565-L573 HydrophobicContact CE2-CD1 4.38Å; F565-L573 HydrophobicContact CG-CB 4.23Å; F565-L573 HydrophobicContact CZ-CB 4.44Å; F565-L573 HydrophobicContact CZ-CD1 4.36Å; H568-L573 PolarHBondContact CD2-O 3.25Å; L573-P626 VanDerWaalsContact CD1-CD 3.48Å; L573-P626 HydrophobicContact CD1-CG 4.17Å; L573-F676 HydrophobicContact CD1-CD1 3.92Å; L573-F676 HydrophobicContact CD1-CD2 3.93Å; L573-F676 HydrophobicContact CD1-CE1 4.07Å; L573-F676 HydrophobicContact CD1-CE2 4.07Å; L573-F676 HydrophobicContact CD1-CG 3.86Å; L573-F676 HydrophobicContact CD1-CZ 4.15Å; L573-F676 HydrophobicContact CD2-CB 3.72Å; L573-F676 HydrophobicContact CD2-CD1 3.88Å; L573-F676 HydrophobicContact CD2-CG 3.82Å; L573-F676 HydrophobicContact CG-CG 4.48Å
574	I	79.6	Confident	79.3	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.364	C	S	.	.	S	Bend	trans	-152.9	157	-171.3	-166.5	162.8	0	0	0	109.4	V560 A564 F565 L579 I582 L624	V560-I574 HydrophobicContact CG1-CD1 4.13Å; A564-I574 HydrophobicContact CB-CD1 4.03Å; F565-I574 HydrophobicContact CD1-CB 4.25Å; F565-I574 HydrophobicContact CE1-CB 4.35Å; F565-I574 HydrophobicContact CE1-CD1 4.41Å; I574-L579 HydrophobicContact CD1-CD2 3.52Å; I574-L579 HydrophobicContact CD1-CG 4.29Å; I574-L579 HydrophobicContact CG1-CD2 4.22Å; I574-I582 HydrophobicContact CD1-CD1 3.34Å; I574-I582 HydrophobicContact CD1-CG1 3.96Å; I574-I582 HydrophobicContact CG1-CD1 3.7Å; I574-L624 HydrophobicContact CG2-CB 4.05Å; I574-L624 HydrophobicContact CG2-CD1 3.83Å; I574-L624 HydrophobicContact CG2-CG 4.39Å; I574-L624 VanDerWaalsContact O-CD1 3.24Å; I574-L624 WeakPolarHBondContact O-CD1 3.47Å
575	E	75.5	Confident	79.5	Confident	93 Å²	93	72.9 Å²	72.9	44%	0.435	38%	0.375	S	S	.	.			trans	-105.2	136.7	175.7	-157.3	160.6	-161.3	0	0	109.6	H568 D577 H578	H568-E575 IonicContact CE1-OE2 2.76Å; E575-D577 PolarHBondContact O-N 3.35Å; E575-H578 PolarHBondContact O-N 3.21Å; E575-H578 VanDerWaalsContact O-N 3.07Å; E575-H578 IonicContact OE2-CE1 2.89Å; E575-H578 PolarHBondContact OE2-CE1 2.93Å; E575-H578 IonicContact OE2-ND1 3.78Å
576	L	72.6	Confident	79.5	Confident	80 Å²	80	74 Å²	74	42%	0.419	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-54.9	-40.4	-176.9	-73.6	169.8	0	0	0	112.1	H578 L579 M621 L624	L576-H578 PolarHBondContact O-N 3Å; L576-L579 HydrophobicContact CD2-CD1 3.79Å; L576-L579 WeakPolarHBondContact O-CB 3.06Å; L576-L579 PolarHBondContact O-N 2.83Å; L576-L579 VanDerWaalsContact O-N 3.16Å; L576-M621 HydrophobicContact CD2-CE 3.35Å; L576-M621 HydrophobicContact CD2-SD 4.38Å; L576-L624 HydrophobicContact CD2-CD1 3.85Å; L576-L624 HydrophobicContact CD2-CD2 3.92Å; L576-L624 HydrophobicContact CD2-CG 4.31Å; L576-L624 HydrophobicContact CG-CD1 3.81Å
577	D	72	Confident	79.7	Confident	131 Å²	131	73.9 Å²	73.9	70%	0.701	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-66.3	-22.8	-176.8	-65.4	-12.3	0	0	0	113	E575	E575-D577 PolarHBondContact O-N 3.35Å
578	H	74.8	Confident	80	Confident	87 Å²	87	71.4 Å²	71.4	40%	0.403	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-90.4	-14.6	178.4	-63.3	147.8	0	0	0	113.4	E575 L576 E580 Q581 I582	E575-H578 PolarHBondContact O-N 3.21Å; E575-H578 VanDerWaalsContact O-N 3.07Å; E575-H578 IonicContact OE2-CE1 2.89Å; E575-H578 PolarHBondContact OE2-CE1 2.93Å; E575-H578 IonicContact OE2-ND1 3.78Å; L576-H578 PolarHBondContact O-N 3Å; H578-E580 PolarHBondContact O-N 3.37Å; H578-E580 VanDerWaalsContact O-N 3.15Å; H578-Q581 PolarHBondContact O-N 3.29Å; H578-I582 HydrophobicContact CB-CD1 3.93Å; H578-I582 WeakPolarHBondContact O-CD1 2.96Å; H578-I582 VanDerWaalsContact O-CG1 3.31Å; H578-I582 WeakPolarHBondContact O-CG1 3.39Å; H578-I582 PolarHBondContact O-N 2.99Å
579	L	72.9	Confident	80.1	Confident	9 Å²	9	76 Å²	76	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-32.7	-178.7	-77.9	169	0	0	0	112.8	V560 I574 L576 Q581 S583 L649	V560-L579 HydrophobicContact CG1-CD2 3.79Å; I574-L579 HydrophobicContact CD1-CD2 3.52Å; I574-L579 HydrophobicContact CD1-CG 4.29Å; I574-L579 HydrophobicContact CG1-CD2 4.22Å; L576-L579 HydrophobicContact CD2-CD1 3.79Å; L576-L579 WeakPolarHBondContact O-CB 3.06Å; L576-L579 PolarHBondContact O-N 2.83Å; L576-L579 VanDerWaalsContact O-N 3.16Å; L579-Q581 PolarHBondContact O-N 3.39Å; L579-S583 WeakPolarHBondContact O-CB 3.44Å; L579-S583 PolarHBondContact O-N 3.4Å; L579-S583 PolarHBondContact O-OG 3.03Å; L579-L649 HydrophobicContact CD1-CD2 3.98Å; L579-L649 HydrophobicContact CD2-CD1 3.68Å; L579-L649 HydrophobicContact CD2-CD2 4.03Å
580	E	71.1	Confident	80.2	Confident	155 Å²	155	73.8 Å²	73.8	72%	0.724	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-30.1	177.8	-73.7	-157.5	144.8	0	0	113.6	H578	H578-E580 PolarHBondContact O-N 3.37Å; H578-E580 VanDerWaalsContact O-N 3.15Å
581	Q	72.7	Confident	80.3	Confident	169 Å²	169	76.9 Å²	76.9	79%	0.79	37%	0.373	S	S	*	.	H	α-helix	trans	-91.4	-30.1	-176.2	-64.3	-179.8	6.8	0	0	112.8	H578 L579	H578-Q581 PolarHBondContact O-N 3.29Å; L579-Q581 PolarHBondContact O-N 3.39Å
582	I	78.2	Confident	80.7	Confident	65 Å²	65	72.7 Å²	72.7	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-107.4	-21.8	-171.2	63.5	-156.8	0	0	0	114.3	A564 I574 H578	A564-I582 HydrophobicContact CB-CB 4.15Å; A564-I582 HydrophobicContact CB-CD1 4.1Å; A564-I582 HydrophobicContact CB-CG1 4.05Å; I574-I582 HydrophobicContact CD1-CD1 3.34Å; I574-I582 HydrophobicContact CD1-CG1 3.96Å; I574-I582 HydrophobicContact CG1-CD1 3.7Å; H578-I582 HydrophobicContact CB-CD1 3.93Å; H578-I582 WeakPolarHBondContact O-CD1 2.96Å; H578-I582 VanDerWaalsContact O-CG1 3.31Å; H578-I582 WeakPolarHBondContact O-CG1 3.39Å; H578-I582 PolarHBondContact O-N 2.99Å
583	S	82.9	Confident	81	Confident	15 Å²	15	74 Å²	74	11%	0.105	35%	0.349	C	S	.	.			trans	-84.7	143.1	179.4	71.3	0	0	0	0	112.4	I559 L579 K585	I559-S583 CarbonylContact O-C 3.49Å; I559-S583 WeakPolarHBondContact O-CA 3.42Å; L579-S583 WeakPolarHBondContact O-CB 3.44Å; L579-S583 PolarHBondContact O-N 3.4Å; L579-S583 PolarHBondContact O-OG 3.03Å; S583-K585 WeakPolarHBondContact OG-CE 3.31Å
584	R	85.3	Confident	81.4	Confident	138 Å²	138	73.5 Å²	73.5	52%	0.521	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.8	171.3	-147.6	180	-170.4	-176.1	-0.5	109.5	I559 F586 Y605	I559-R584 PolarHBondContact N-O 3.36Å; I559-R584 PolarHBondContact O-N 2.7Å; R584-F586 HydrophobicContact CB-CE2 4.2Å; R584-F586 HydrophobicContact CG-CE2 4.25Å; R584-F586 HydrophobicContact CG-CZ 4.23Å; R584-Y605 WeakPolarHBondContact CD-OH 3.16Å
585	K	86.5	Confident	81.8	Confident	75 Å²	75	78.7 Å²	78.7	33%	0.326	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.1	-171	-66.4	-178.1	166	-156.9	0	111.9	L556 L557 S583 E647	L556-K585 HydrophobicContact CD1-CB 4.01Å; L556-K585 HydrophobicContact CD2-CD 3.73Å; L556-K585 HydrophobicContact CD2-CG 4.2Å; L556-K585 HydrophobicContact CG-CB 4.33Å; L556-K585 HydrophobicContact CG-CD 4.46Å; L556-K585 HydrophobicContact CG-CG 4.45Å; L557-K585 CarbonylContact O-C 3.51Å; L557-K585 WeakPolarHBondContact O-CA 3.45Å; S583-K585 WeakPolarHBondContact OG-CE 3.31Å; K585-E647 WeakPolarHBondContact CE-OE1 3.47Å; K585-E647 IonicContact NZ-OE1 3.41Å; K585-E647 PolarHBondContact NZ-OE1 2.93Å; K585-E647 IonicContact NZ-OE2 3.79Å
586	F	88.3	Confident	82.6	Confident	24 Å²	24	77.4 Å²	77.4	11%	0.105	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.1	176.2	-60.7	-85.3	0	0	0	110.6	L557 I559 R584 V588 F600 L601 Q604 Y605	L557-F586 HydrophobicContact CB-CB 4.34Å; L557-F586 PolarHBondContact N-O 3.27Å; L557-F586 PolarHBondContact O-N 2.86Å; I559-F586 HydrophobicContact CB-CE2 4.36Å; I559-F586 HydrophobicContact CG1-CD2 3.88Å; I559-F586 HydrophobicContact CG1-CE2 3.79Å; R584-F586 HydrophobicContact CB-CE2 4.2Å; R584-F586 HydrophobicContact CG-CE2 4.25Å; R584-F586 HydrophobicContact CG-CZ 4.23Å; F586-V588 HydrophobicContact CB-CG1 4.44Å; F586-F600 HydrophobicContact CB-CE1 3.96Å; F586-F600 HydrophobicContact CB-CZ 4.04Å; F586-F600 AromaticContact CD1-CE1 3.97Å; F586-F600 HydrophobicContact CD1-CE1 3.97Å; F586-F600 AromaticContact CD1-CZ 3.9Å; F586-F600 HydrophobicContact CD1-CZ 3.9Å; F586-F600 AromaticContact CG-CE1 3.9Å; F586-F600 HydrophobicContact CG-CE1 3.9Å; F586-F600 HydrophobicContact CG-CZ 4.14Å; F586-L601 HydrophobicContact CD2-CD2 4.44Å; F586-L601 HydrophobicContact CE2-CD2 4.14Å; F586-L601 HydrophobicContact CZ-CD2 4.5Å; F586-Q604 HydrophobicContact CE1-CB 4.19Å; F586-Q604 HydrophobicContact CE1-CG 3.97Å; F586-Q604 HydrophobicContact CZ-CB 4.4Å; F586-Y605 HydrophobicContact CE2-CE2 4.02Å; F586-Y605 AromaticContact CZ-CE2 3.79Å; F586-Y605 HydrophobicContact CZ-CE2 3.79Å
587	R	85.9	Confident	83.4	Confident	133 Å²	133	73.6 Å²	73.6	50%	0.502	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.4	172.9	-177	175.9	170.9	167.1	-2.6	109.3	F554	F554-R587 HydrophobicContact CB-CG 3.84Å; F554-R587 HydrophobicContact CD1-CG 3.77Å; F554-R587 HydrophobicContact CG-CG 3.97Å; F554-R587 VanDerWaalsContact CG-NE 3.31Å
588	V	87.6	Confident	84.3	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.7	-178.5	-61.5	0	0	0	0	111	F554 C555 L557 F586 M592 F600 M637	F554-V588 CarbonylContact C-O 3.37Å; F554-V588 VanDerWaalsContact CA-O 3.24Å; F554-V588 WeakPolarHBondContact CA-O 3.4Å; F554-V588 WeakPolarHBondContact CB-O 3.29Å; C555-V588 PolarHBondContact N-O 3.13Å; C555-V588 PolarHBondContact O-N 3.29Å; L557-V588 HydrophobicContact CB-CG1 4.16Å; L557-V588 HydrophobicContact CB-CG2 3.84Å; L557-V588 HydrophobicContact CD2-CG1 4.08Å; F586-V588 HydrophobicContact CB-CG1 4.44Å; V588-M592 HydrophobicContact CB-SD 4.08Å; V588-M592 HydrophobicContact CG1-SD 4.27Å; V588-F600 HydrophobicContact CG1-CE1 4.12Å; V588-F600 HydrophobicContact CG1-CZ 4.2Å; V588-M637 HydrophobicContact CG2-CG 4Å
589	K	85.4	Confident	85	Confident	120 Å²	120	68.9 Å²	68.9	52%	0.522	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	138.8	176.9	-71.1	-177.5	178.5	-180	0	109.6	L553 F554 S591 M592	L553-K589 CarbonylContact O-C 3.57Å; L553-K589 WeakPolarHBondContact O-CA 3.22Å; F554-K589 HydrophobicContact CD1-CG 3.99Å; F554-K589 HydrophobicContact CE1-CG 3.64Å; F554-K589 HydrophobicContact CZ-CG 4.26Å; K589-S591 PolarHBondContact O-N 2.83Å; K589-M592 HydrophobicContact CB-CB 4.47Å; K589-M592 WeakPolarHBondContact O-CB 3.48Å; K589-M592 PolarHBondContact O-N 3.42Å
590	R	85.3	Confident	85.8	Confident	48 Å²	48	71.1 Å²	71.1	18%	0.181	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.8	175	-74.7	-177.9	177.4	-94.4	-3.3	112.8	H552 L553 F554 C555 M592 M637 E638	H552-R590 VanDerWaalsContact O-CD 3.31Å; H552-R590 WeakPolarHBondContact O-CD 3.31Å; H552-R590 PolarHBondContact O-NE 3.31Å; L553-R590 PolarHBondContact O-N 3.25Å; F554-R590 PolarHBondContact O-NE 3.3Å; F554-R590 VanDerWaalsContact O-NE 3.14Å; C555-R590 HydrophobicContact CB-CG 3.94Å; R590-M592 VanDerWaalsContact C-N 3.28Å; R590-M592 PolarHBondContact O-N 3.33Å; R590-M637 PolarHBondContact O-N 3.28Å; R590-E638 HydrophobicContact CB-CB 4.29Å; R590-E638 PolarHBondContact O-N 2.49Å
591	S	85.3	Confident	86.7	Confident	87 Å²	87	63.7 Å²	63.7	61%	0.608	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.9	177.5	69.1	0	0	0	0	114.5	K589	K589-S591 PolarHBondContact O-N 2.83Å
592	M	88.5	Confident	87.5	Confident	37 Å²	37	59.1 Å²	59.1	18%	0.182	27%	0.274	C	S	.	.			trans	-68.3	132.7	178.4	-170.4	167.9	-171.2	0	0	109.4	V588 K589 R590 D596 L597 F600 T636 M637	V588-M592 HydrophobicContact CB-SD 4.08Å; V588-M592 HydrophobicContact CG1-SD 4.27Å; K589-M592 HydrophobicContact CB-CB 4.47Å; K589-M592 WeakPolarHBondContact O-CB 3.48Å; K589-M592 PolarHBondContact O-N 3.42Å; R590-M592 VanDerWaalsContact C-N 3.28Å; R590-M592 PolarHBondContact O-N 3.33Å; M592-D596 HydrophobicContact CE-CB 3.53Å; M592-D596 VanDerWaalsContact CE-O 3.24Å; M592-D596 WeakPolarHBondContact CE-O 3.3Å; M592-D596 HydrophobicContact CG-CB 3.77Å; M592-L597 HydrophobicContact CE-CD2 4.26Å; M592-L597 HydrophobicContact SD-CD2 4.19Å; M592-F600 HydrophobicContact CE-CB 3.81Å; M592-F600 HydrophobicContact CE-CG 4.21Å; M592-T636 WeakPolarHBondContact O-CA 3.38Å; M592-M637 HydrophobicContact CB-CG 4.28Å; M592-M637 PolarHBondContact O-N 3.34Å
593	E	90.3	Very high	87.9	Confident	67 Å²	67	64.4 Å²	64.4	31%	0.313	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-79.7	152.6	175.9	-67.4	-174.3	-166.7	0	0	110.2	R595 D596 C635	E593-R595 HydrophobicContact CB-CG 4.01Å; E593-R595 PolarHBondContact O-N 2.82Å; E593-R595 IonicContact OE2-CZ 3.22Å; E593-R595 IonicContact OE2-NE 3.49Å; E593-R595 PolarHBondContact OE2-NE 3.34Å; E593-R595 IonicContact OE2-NH2 3.89Å; E593-R595 PolarHBondContact OE2-NH2 3.23Å; E593-D596 PolarHBondContact N-OD2 3.17Å; E593-D596 WeakPolarHBondContact O-CB 3.3Å; E593-D596 PolarHBondContact O-N 2.89Å; E593-C635 WeakPolarHBondContact CA-O 3.48Å
594	F	89.3	Confident	88	Confident	1 Å²	1	68.4 Å²	68.4	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-32.2	178.7	-166.2	-91.2	0	0	0	112.3	D596 L597 Y598 L615 P617 I632 C635 M637 L640 V650	F594-D596 PolarHBondContact O-N 3.15Å; F594-L597 HydrophobicContact CD2-CD1 3.74Å; F594-L597 HydrophobicContact CE2-CD1 3.9Å; F594-L597 HydrophobicContact CG-CD1 4.34Å; F594-L597 WeakPolarHBondContact O-CB 3.47Å; F594-L597 PolarHBondContact O-N 3.36Å; F594-L597 VanDerWaalsContact O-N 3.1Å; F594-Y598 HydrophobicContact CD1-CE2 4.41Å; F594-Y598 HydrophobicContact CE1-CE2 4.26Å; F594-L615 HydrophobicContact CE1-CB 3.95Å; F594-L615 HydrophobicContact CE1-CD1 4.41Å; F594-L615 HydrophobicContact CZ-CB 3.7Å; F594-L615 HydrophobicContact CZ-CD1 4.4Å; F594-P617 HydrophobicContact CE2-CB 4.29Å; F594-I632 HydrophobicContact CB-CG1 4.21Å; F594-I632 WeakPolarHBondContact CB-O 3.11Å; F594-I632 HydrophobicContact CD1-CD1 3.74Å; F594-I632 HydrophobicContact CD1-CG1 3.88Å; F594-I632 HydrophobicContact CD1-CG2 4.17Å; F594-I632 HydrophobicContact CD2-CD1 3.85Å; F594-I632 HydrophobicContact CD2-CG1 4.07Å; F594-I632 HydrophobicContact CE1-CD1 3.56Å; F594-I632 HydrophobicContact CE1-CG1 4.23Å; F594-I632 HydrophobicContact CE1-CG2 4.41Å; F594-I632 HydrophobicContact CE2-CD1 3.67Å; F594-I632 HydrophobicContact CE2-CG1 4.4Å; F594-I632 HydrophobicContact CG-CD1 3.88Å; F594-I632 HydrophobicContact CG-CG1 3.79Å; F594-I632 HydrophobicContact CZ-CD1 3.52Å; F594-I632 HydrophobicContact CZ-CG1 4.47Å; F594-C635 PolarHBondContact N-O 3.49Å; F594-M637 HydrophobicContact CB-CE 3.97Å; F594-M637 HydrophobicContact CD2-CE 3.93Å; F594-M637 HydrophobicContact CG-CE 4.4Å; F594-L640 HydrophobicContact CB-CD1 4.43Å; F594-L640 HydrophobicContact CD2-CD1 3.41Å; F594-L640 VanDerWaalsContact CD2-CD1 3.41Å; F594-L640 HydrophobicContact CE2-CD1 4.07Å; F594-L640 HydrophobicContact CG-CD1 4.31Å; F594-V650 HydrophobicContact CE2-CG2 4.2Å
595	R	88.4	Confident	88	Confident	114 Å²	114	64.4 Å²	64.4	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-32.3	173.9	75.3	177.3	76.5	-141.9	0.8	112.9	E593 L597 Y598 P599 E633	E593-R595 HydrophobicContact CB-CG 4.01Å; E593-R595 PolarHBondContact O-N 2.82Å; E593-R595 IonicContact OE2-CZ 3.22Å; E593-R595 IonicContact OE2-NE 3.49Å; E593-R595 PolarHBondContact OE2-NE 3.34Å; E593-R595 IonicContact OE2-NH2 3.89Å; E593-R595 PolarHBondContact OE2-NH2 3.23Å; R595-L597 PolarHBondContact O-N 3.1Å; R595-Y598 PolarHBondContact O-N 2.97Å; R595-P599 VanDerWaalsContact O-CD 3.32Å; R595-P599 WeakPolarHBondContact O-CD 3.5Å; R595-E633 HydrophobicContact CB-CB 4.17Å; R595-E633 WeakPolarHBondContact CB-O 3.45Å; R595-E633 PolarHBondContact N-O 2.88Å; R595-E633 PolarHBondContact NE-O 3.45Å
596	D	90.6	Very high	87.9	Confident	66 Å²	66	67.9 Å²	67.9	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-78.2	-14.5	-175.7	-59	-39.9	0	0	0	111.7	M592 E593 F594 Y598 P599 F600	M592-D596 HydrophobicContact CE-CB 3.53Å; M592-D596 VanDerWaalsContact CE-O 3.24Å; M592-D596 WeakPolarHBondContact CE-O 3.3Å; M592-D596 HydrophobicContact CG-CB 3.77Å; E593-D596 PolarHBondContact N-OD2 3.17Å; E593-D596 WeakPolarHBondContact O-CB 3.3Å; E593-D596 PolarHBondContact O-N 2.89Å; F594-D596 PolarHBondContact O-N 3.15Å; D596-Y598 VanDerWaalsContact C-N 3.29Å; D596-Y598 PolarHBondContact O-N 2.83Å; D596-P599 WeakPolarHBondContact O-CD 3.36Å; D596-P599 WeakPolarHBondContact O-CG 3.46Å; D596-F600 WeakPolarHBondContact O-CB 3.07Å; D596-F600 PolarHBondContact O-N 3.13Å
597	L	90.4	Very high	87.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-32.2	174.2	-65.7	-174.4	0	0	0	112.1	L557 M592 F594 R595 F600 L601 L615 M637	L557-L597 HydrophobicContact CD1-CD1 4.24Å; L557-L597 HydrophobicContact CD2-CD1 4.3Å; L557-L597 HydrophobicContact CD2-CD2 3.63Å; M592-L597 HydrophobicContact CE-CD2 4.26Å; M592-L597 HydrophobicContact SD-CD2 4.19Å; F594-L597 HydrophobicContact CD2-CD1 3.74Å; F594-L597 HydrophobicContact CE2-CD1 3.9Å; F594-L597 HydrophobicContact CG-CD1 4.34Å; F594-L597 WeakPolarHBondContact O-CB 3.47Å; F594-L597 PolarHBondContact O-N 3.36Å; F594-L597 VanDerWaalsContact O-N 3.1Å; R595-L597 PolarHBondContact O-N 3.1Å; L597-F600 PolarHBondContact O-N 3.43Å; L597-L601 WeakPolarHBondContact O-CB 3.49Å; L597-L601 VanDerWaalsContact O-CG 3.3Å; L597-L601 WeakPolarHBondContact O-CG 3.4Å; L597-L601 PolarHBondContact O-N 2.84Å; L597-L615 HydrophobicContact CB-CD1 3.83Å; L597-M637 HydrophobicContact CD1-CE 3.75Å; L597-M637 HydrophobicContact CD1-SD 3.85Å; L597-M637 HydrophobicContact CD2-CE 4.46Å; L597-M637 HydrophobicContact CD2-SD 4.2Å; L597-M637 HydrophobicContact CG-CE 4.01Å; L597-M637 HydrophobicContact CG-SD 4.28Å
598	Y	91	Very high	87.8	Confident	47 Å²	47	65.9 Å²	65.9	18%	0.184	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-58.7	177.8	-74.9	-80.8	0	0	0	112.4	F594 R595 D596 F600 L601 E602 A609 F613 L615	F594-Y598 HydrophobicContact CD1-CE2 4.41Å; F594-Y598 HydrophobicContact CE1-CE2 4.26Å; R595-Y598 PolarHBondContact O-N 2.97Å; D596-Y598 VanDerWaalsContact C-N 3.29Å; D596-Y598 PolarHBondContact O-N 2.83Å; Y598-F600 VanDerWaalsContact C-N 3.26Å; Y598-F600 PolarHBondContact O-N 2.92Å; Y598-L601 PolarHBondContact O-N 3.45Å; Y598-E602 VanDerWaalsContact O-CB 3.24Å; Y598-E602 WeakPolarHBondContact O-CB 3.5Å; Y598-E602 PolarHBondContact O-N 2.88Å; Y598-A609 HydrophobicContact CD1-CB 3.85Å; Y598-A609 HydrophobicContact CG-CB 4.32Å; Y598-F613 AromaticContact CD1-CE2 3.74Å; Y598-F613 HydrophobicContact CD1-CE2 3.74Å; Y598-F613 HydrophobicContact CD1-CZ 4.09Å; Y598-F613 HydrophobicContact CE1-CE2 4.24Å; Y598-L615 HydrophobicContact CD1-CD1 4.2Å; Y598-L615 HydrophobicContact CD1-CG 4.4Å; Y598-L615 HydrophobicContact CD2-CD1 4.34Å; Y598-L615 HydrophobicContact CE1-CB 4.48Å; Y598-L615 HydrophobicContact CE1-CD1 4.14Å; Y598-L615 HydrophobicContact CE1-CG 3.98Å; Y598-L615 HydrophobicContact CE2-CD1 4.28Å; Y598-L615 HydrophobicContact CG-CD1 4.32Å
599	P	90	Very high	87.5	Confident	72 Å²	72	67 Å²	67	47%	0.468	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-29	177	25	-33.7	0	0	0	112.8	R595 D596 K603	R595-P599 VanDerWaalsContact O-CD 3.32Å; R595-P599 WeakPolarHBondContact O-CD 3.5Å; D596-P599 WeakPolarHBondContact O-CD 3.36Å; D596-P599 WeakPolarHBondContact O-CG 3.46Å; P599-K603 PolarHBondContact O-N 2.78Å
600	F	89.2	Confident	87	Confident	55 Å²	55	63.8 Å²	63.8	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-49.4	175	175	-101.9	0	0	0	111.9	F586 V588 M592 D596 L597 Y598 K603 Q604	F586-F600 HydrophobicContact CB-CE1 3.96Å; F586-F600 HydrophobicContact CB-CZ 4.04Å; F586-F600 AromaticContact CD1-CE1 3.97Å; F586-F600 HydrophobicContact CD1-CE1 3.97Å; F586-F600 AromaticContact CD1-CZ 3.9Å; F586-F600 HydrophobicContact CD1-CZ 3.9Å; F586-F600 AromaticContact CG-CE1 3.9Å; F586-F600 HydrophobicContact CG-CE1 3.9Å; F586-F600 HydrophobicContact CG-CZ 4.14Å; V588-F600 HydrophobicContact CG1-CE1 4.12Å; V588-F600 HydrophobicContact CG1-CZ 4.2Å; M592-F600 HydrophobicContact CE-CB 3.81Å; M592-F600 HydrophobicContact CE-CG 4.21Å; D596-F600 WeakPolarHBondContact O-CB 3.07Å; D596-F600 PolarHBondContact O-N 3.13Å; L597-F600 PolarHBondContact O-N 3.43Å; Y598-F600 VanDerWaalsContact C-N 3.26Å; Y598-F600 PolarHBondContact O-N 2.92Å; F600-K603 PolarHBondContact O-N 3.19Å; F600-Q604 HydrophobicContact CE1-CG 4.32Å; F600-Q604 HydrophobicContact CE2-CG 4.46Å; F600-Q604 HydrophobicContact CZ-CG 4.22Å; F600-Q604 VanDerWaalsContact O-CG 3.3Å; F600-Q604 WeakPolarHBondContact O-CG 3.24Å; F600-Q604 PolarHBondContact O-N 2.81Å
601	L	90.1	Very high	86.8	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-76.1	-32.6	-178.9	-64.9	175.7	0	0	0	112.4	I559 F586 L597 Y598 K603 Q604 Y605 F613 L615	I559-L601 HydrophobicContact CD1-CD1 4Å; I559-L601 HydrophobicContact CD1-CD2 4.39Å; I559-L601 HydrophobicContact CG1-CD2 4.14Å; F586-L601 HydrophobicContact CD2-CD2 4.44Å; F586-L601 HydrophobicContact CE2-CD2 4.14Å; F586-L601 HydrophobicContact CZ-CD2 4.5Å; L597-L601 WeakPolarHBondContact O-CB 3.49Å; L597-L601 VanDerWaalsContact O-CG 3.3Å; L597-L601 WeakPolarHBondContact O-CG 3.4Å; L597-L601 PolarHBondContact O-N 2.84Å; Y598-L601 PolarHBondContact O-N 3.45Å; L601-K603 PolarHBondContact O-N 3.01Å; L601-Q604 PolarHBondContact O-N 2.91Å; L601-Q604 VanDerWaalsContact O-N 3.13Å; L601-Y605 HydrophobicContact CB-CD2 4.35Å; L601-Y605 HydrophobicContact CD2-CD2 4.2Å; L601-Y605 HydrophobicContact CD2-CE2 3.87Å; L601-Y605 PolarHBondContact O-N 2.84Å; L601-F613 HydrophobicContact CB-CE2 4.21Å; L601-F613 HydrophobicContact CB-CZ 4.11Å; L601-L615 HydrophobicContact CD1-CD1 3.84Å; L601-L615 HydrophobicContact CD1-CD2 3.57Å; L601-L615 HydrophobicContact CD1-CG 4.35Å
602	E	89.2	Confident	86.9	Confident	73 Å²	73	63.9 Å²	63.9	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-54.1	-42.9	171.2	165.2	158	-143.4	0	0	111.1	Y598 N606 L607 F613	Y598-E602 VanDerWaalsContact O-CB 3.24Å; Y598-E602 WeakPolarHBondContact O-CB 3.5Å; Y598-E602 PolarHBondContact O-N 2.88Å; E602-N606 WeakPolarHBondContact O-CA 3.39Å; E602-N606 PolarHBondContact O-N 2.78Å; E602-L607 WeakPolarHBondContact CA-O 3.34Å; E602-L607 WeakPolarHBondContact CB-O 3.24Å; E602-L607 WeakPolarHBondContact CG-O 3.28Å; E602-L607 PolarHBondContact O-N 3.16Å; E602-F613 HydrophobicContact CB-CE1 4.23Å; E602-F613 HydrophobicContact CB-CZ 4.42Å
603	K	86.7	Confident	87	Confident	176 Å²	176	62.1 Å²	62.1	77%	0.765	31%	0.312	S	S	*	.	H	α-helix	trans	-71.5	-38.2	175.4	-171.6	176.9	180	179.6	0	113.6	P599 F600 L601	P599-K603 PolarHBondContact O-N 2.78Å; F600-K603 PolarHBondContact O-N 3.19Å; L601-K603 PolarHBondContact O-N 3.01Å
604	Q	85.2	Confident	87	Confident	98 Å²	98	60.6 Å²	60.6	46%	0.458	30%	0.303	S	S	.	.	H	α-helix	trans	-74.9	-35.7	-176.5	-68.6	-65.9	-18.3	0	0	113.1	F586 F600 L601	F586-Q604 HydrophobicContact CE1-CB 4.19Å; F586-Q604 HydrophobicContact CE1-CG 3.97Å; F586-Q604 HydrophobicContact CZ-CB 4.4Å; F600-Q604 HydrophobicContact CE1-CG 4.32Å; F600-Q604 HydrophobicContact CE2-CG 4.46Å; F600-Q604 HydrophobicContact CZ-CG 4.22Å; F600-Q604 VanDerWaalsContact O-CG 3.3Å; F600-Q604 WeakPolarHBondContact O-CG 3.24Å; F600-Q604 PolarHBondContact O-N 2.81Å; L601-Q604 PolarHBondContact O-N 2.91Å; L601-Q604 VanDerWaalsContact O-N 3.13Å
605	Y	84.7	Confident	87.1	Confident	54 Å²	54	61 Å²	61	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-102.6	-9	-178.4	-72.3	-91.9	0	0	0	113.4	R584 F586 L601 M652	R584-Y605 WeakPolarHBondContact CD-OH 3.16Å; F586-Y605 HydrophobicContact CE2-CE2 4.02Å; F586-Y605 AromaticContact CZ-CE2 3.79Å; F586-Y605 HydrophobicContact CZ-CE2 3.79Å; L601-Y605 HydrophobicContact CB-CD2 4.35Å; L601-Y605 HydrophobicContact CD2-CD2 4.2Å; L601-Y605 HydrophobicContact CD2-CE2 3.87Å; L601-Y605 PolarHBondContact O-N 2.84Å; Y605-M652 HydrophobicContact CD2-CE 4.14Å; Y605-M652 HydrophobicContact CD2-SD 4.22Å; Y605-M652 HydrophobicContact CE2-SD 4.14Å; Y605-M652 HydrophobicContact CG-CE 4.16Å; Y605-M652 HydrophobicContact CG-SD 4.48Å
606	N	85.5	Confident	87.1	Confident	149 Å²	149	56 Å²	56	80%	0.797	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	48.1	-175.3	-164	46.5	0	0	0	112.2	E602	E602-N606 WeakPolarHBondContact O-CA 3.39Å; E602-N606 PolarHBondContact O-N 2.78Å
607	L	86.4	Confident	87	Confident	29 Å²	29	53 Å²	53	15%	0.152	27%	0.271	C	S	.	.			trans	-128.4	145.5	-177	-64.6	176.2	0	0	0	111.1	E602 A609 Q612 F613 M652 L654 F655	E602-L607 WeakPolarHBondContact CA-O 3.34Å; E602-L607 WeakPolarHBondContact CB-O 3.24Å; E602-L607 WeakPolarHBondContact CG-O 3.28Å; E602-L607 PolarHBondContact O-N 3.16Å; L607-A609 PolarHBondContact O-N 3.04Å; L607-Q612 HydrophobicContact CB-CB 4.22Å; L607-Q612 HydrophobicContact CD2-CB 4.33Å; L607-F613 HydrophobicContact CB-CD1 3.75Å; L607-F613 HydrophobicContact CB-CE1 4.15Å; L607-F613 HydrophobicContact CD1-CD1 4.45Å; L607-M652 HydrophobicContact CD1-CE 3.77Å; L607-L654 HydrophobicContact CD1-CD2 3.58Å; L607-F655 HydrophobicContact CD2-CE1 4.02Å
608	I	84.7	Confident	86.7	Confident	85 Å²	85	53.7 Å²	53.7	44%	0.436	27%	0.274	S	S	.	.			trans	-81	118	-179.2	-55.8	169.8	0	0	0	110.7	G610 K611 Q612	I608-G610 PolarHBondContact O-N 3.41Å; I608-K611 HydrophobicContact CB-CB 4.26Å; I608-K611 HydrophobicContact CG2-CB 4.03Å; I608-K611 HydrophobicContact CG2-CD 4.08Å; I608-K611 HydrophobicContact CG2-CG 4.27Å; I608-K611 PolarHBondContact O-N 3.27Å; I608-Q612 HydrophobicContact CB-CG 4.32Å; I608-Q612 PolarHBondContact O-N 3.5Å
609	A	80.7	Confident	85.7	Confident	29 Å²	29	53.8 Å²	53.8	24%	0.24	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-58.3	135.7	178.6	0	0	0	0	0	112.6	Y598 L607 K611 F613	Y598-A609 HydrophobicContact CD1-CB 3.85Å; Y598-A609 HydrophobicContact CG-CB 4.32Å; L607-A609 PolarHBondContact O-N 3.04Å; A609-K611 PolarHBondContact O-N 3.22Å; A609-F613 VanDerWaalsContact CA-CE1 3.42Å; A609-F613 HydrophobicContact CB-CE1 3.9Å; A609-F613 HydrophobicContact CB-CZ 3.81Å
610	G	75.2	Confident	84.6	Confident	53 Å²	53	53 Å²	53	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-17.1	178.1	0	0	0	0	0	115.3	I608 F613	I608-G610 PolarHBondContact O-N 3.41Å; G610-F613 PolarHBondContact N-O 3.05Å
611	K	82	Confident	83.3	Confident	95 Å²	95	52.9 Å²	52.9	41%	0.413	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-53.6	170.9	-72.2	-171.9	168.9	-144	0	111.6	I608 A609 E663 L664	I608-K611 HydrophobicContact CB-CB 4.26Å; I608-K611 HydrophobicContact CG2-CB 4.03Å; I608-K611 HydrophobicContact CG2-CD 4.08Å; I608-K611 HydrophobicContact CG2-CG 4.27Å; I608-K611 PolarHBondContact O-N 3.27Å; A609-K611 PolarHBondContact O-N 3.22Å; K611-E663 HydrophobicContact CB-CG 4.19Å; K611-E663 HydrophobicContact CD-CG 4.4Å; K611-E663 WeakPolarHBondContact CD-OE1 3.41Å; K611-E663 WeakPolarHBondContact CE-OE1 3.3Å; K611-E663 HydrophobicContact CG-CG 4.39Å; K611-E663 IonicContact NZ-OE1 2.71Å; K611-E663 PolarHBondContact NZ-OE1 3.22Å; K611-E663 CarbonylContact O-C 3.44Å; K611-E663 VanDerWaalsContact O-CA 3.26Å; K611-E663 WeakPolarHBondContact O-CA 3.28Å; K611-L664 PolarHBondContact O-N 3.29Å
612	Q	86.9	Confident	82	Confident	41 Å²	41	60.2 Å²	60.2	19%	0.192	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-19.1	-173.6	-69.1	-177.9	-44.7	0	0	113	L607 I608 F655	L607-Q612 HydrophobicContact CB-CB 4.22Å; L607-Q612 HydrophobicContact CD2-CB 4.33Å; I608-Q612 HydrophobicContact CB-CG 4.32Å; I608-Q612 PolarHBondContact O-N 3.5Å; Q612-F655 HydrophobicContact CB-CD1 3.61Å; Q612-F655 HydrophobicContact CB-CE1 3.99Å; Q612-F655 HydrophobicContact CB-CG 4.4Å; Q612-F655 HydrophobicContact CG-CD1 3.93Å; Q612-F655 HydrophobicContact CG-CE1 4.05Å; Q612-F655 HydrophobicContact CG-CG 4.48Å; Q612-F655 VanDerWaalsContact O-CD1 3.31Å; Q612-F655 WeakPolarHBondContact O-CD1 3.34Å; Q612-F655 PolarHBondContact O-N 2.94Å
613	F	90.5	Very high	80.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.7	173.3	74.8	-85.7	0	0	0	113.3	Y598 L601 E602 L607 A609 G610 L615 M652 E653 L654 L664	Y598-F613 AromaticContact CD1-CE2 3.74Å; Y598-F613 HydrophobicContact CD1-CE2 3.74Å; Y598-F613 HydrophobicContact CD1-CZ 4.09Å; Y598-F613 HydrophobicContact CE1-CE2 4.24Å; L601-F613 HydrophobicContact CB-CE2 4.21Å; L601-F613 HydrophobicContact CB-CZ 4.11Å; E602-F613 HydrophobicContact CB-CE1 4.23Å; E602-F613 HydrophobicContact CB-CZ 4.42Å; L607-F613 HydrophobicContact CB-CD1 3.75Å; L607-F613 HydrophobicContact CB-CE1 4.15Å; L607-F613 HydrophobicContact CD1-CD1 4.45Å; A609-F613 VanDerWaalsContact CA-CE1 3.42Å; A609-F613 HydrophobicContact CB-CE1 3.9Å; A609-F613 HydrophobicContact CB-CZ 3.81Å; G610-F613 PolarHBondContact N-O 3.05Å; F613-L615 HydrophobicContact CD2-CD2 3.8Å; F613-L615 HydrophobicContact CD2-CG 4.12Å; F613-L615 HydrophobicContact CE2-CD1 4.26Å; F613-L615 HydrophobicContact CE2-CD2 3.88Å; F613-L615 HydrophobicContact CE2-CG 3.96Å; F613-M652 HydrophobicContact CB-CE 3.59Å; F613-M652 HydrophobicContact CB-CG 4.13Å; F613-M652 HydrophobicContact CD1-CE 3.79Å; F613-M652 HydrophobicContact CD2-CE 3.54Å; F613-M652 HydrophobicContact CD2-CG 4.18Å; F613-M652 HydrophobicContact CE1-CE 4.32Å; F613-M652 HydrophobicContact CE2-CE 4.1Å; F613-M652 HydrophobicContact CG-CE 3.35Å; F613-M652 HydrophobicContact CG-CG 4.46Å; F613-M652 HydrophobicContact CZ-CE 4.46Å; F613-E653 CarbonylContact C-O 3.47Å; F613-E653 WeakPolarHBondContact CA-O 3.26Å; F613-E653 WeakPolarHBondContact CB-O 3.49Å; F613-L654 HydrophobicContact CB-CD2 4.01Å; F613-L664 VanDerWaalsContact C-CD1 3.42Å
614	R	89.7	Confident	80.2	Confident	36 Å²	36	51.8 Å²	51.8	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.7	172.1	-172.1	-176.1	-62.8	130.5	-2.6	109.9	W616 E653 L664 P665 Y667 I694	R614-W616 VanDerWaalsContact CD-CZ2 3.49Å; R614-W616 HydrophobicContact CG-CZ2 4.46Å; R614-E653 HydrophobicContact CB-CB 4.34Å; R614-E653 IonicContact CZ-OE2 3.33Å; R614-E653 PolarHBondContact N-O 3.29Å; R614-E653 IonicContact NH1-OE1 2.67Å; R614-E653 IonicContact NH1-OE2 2.73Å; R614-E653 PolarHBondContact NH1-OE2 3.28Å; R614-E653 PolarHBondContact O-N 2.94Å; R614-L664 HydrophobicContact CB-CD1 3.92Å; R614-P665 PolarHBondContact NH2-O 3.12Å; R614-Y667 VanDerWaalsContact NH2-CB 3.33Å; R614-I694 VanDerWaalsContact NH1-CD1 3.29Å
615	L	91.1	Very high	80	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.3	-176.2	-56.9	177.5	0	0	0	111.2	F594 L597 Y598 L601 F613 V650 M652	F594-L615 HydrophobicContact CE1-CB 3.95Å; F594-L615 HydrophobicContact CE1-CD1 4.41Å; F594-L615 HydrophobicContact CZ-CB 3.7Å; F594-L615 HydrophobicContact CZ-CD1 4.4Å; L597-L615 HydrophobicContact CB-CD1 3.83Å; Y598-L615 HydrophobicContact CD1-CD1 4.2Å; Y598-L615 HydrophobicContact CD1-CG 4.4Å; Y598-L615 HydrophobicContact CD2-CD1 4.34Å; Y598-L615 HydrophobicContact CE1-CB 4.48Å; Y598-L615 HydrophobicContact CE1-CD1 4.14Å; Y598-L615 HydrophobicContact CE1-CG 3.98Å; Y598-L615 HydrophobicContact CE2-CD1 4.28Å; Y598-L615 HydrophobicContact CG-CD1 4.32Å; L601-L615 HydrophobicContact CD1-CD1 3.84Å; L601-L615 HydrophobicContact CD1-CD2 3.57Å; L601-L615 HydrophobicContact CD1-CG 4.35Å; F613-L615 HydrophobicContact CD2-CD2 3.8Å; F613-L615 HydrophobicContact CD2-CG 4.12Å; F613-L615 HydrophobicContact CE2-CD1 4.26Å; F613-L615 HydrophobicContact CE2-CD2 3.88Å; F613-L615 HydrophobicContact CE2-CG 3.96Å; L615-V650 HydrophobicContact CB-CG1 3.94Å; L615-V650 HydrophobicContact CD2-CG1 4.16Å; L615-M652 HydrophobicContact CD2-CB 4.15Å; L615-M652 HydrophobicContact CD2-CG 4.02Å
616	W	89.5	Confident	80	Confident	11 Å²	11	52.3 Å²	52.3	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	108.1	179.8	-56.1	89.4	0	0	0	110	R614 P626 N628 F651 E653 Y667 L674	R614-W616 VanDerWaalsContact CD-CZ2 3.49Å; R614-W616 HydrophobicContact CG-CZ2 4.46Å; W616-P626 HydrophobicContact CB-CB 3.7Å; W616-P626 HydrophobicContact CG-CB 4.48Å; W616-N628 HydrophobicContact CE3-CB 4.48Å; W616-N628 HydrophobicContact CZ3-CB 4.05Å; W616-F651 HydrophobicContact CB-CB 4.24Å; W616-F651 HydrophobicContact CB-CD1 4.04Å; W616-F651 AromaticContact CD1-CD1 3.6Å; W616-F651 AromaticContact CD1-CE1 3.99Å; W616-F651 HydrophobicContact CG-CD1 4.02Å; W616-F651 PolarHBondContact N-O 3.4Å; W616-F651 PolarHBondContact O-N 3.2Å; W616-E653 PolarHBondContact NE1-OE2 2.89Å; W616-Y667 AromaticContact CH2-CD1 3.86Å; W616-Y667 HydrophobicContact CH2-CD1 3.86Å; W616-Y667 HydrophobicContact CH2-CD2 4.05Å; W616-Y667 AromaticContact CH2-CE1 3.56Å; W616-Y667 HydrophobicContact CH2-CE1 3.56Å; W616-Y667 AromaticContact CH2-CE2 3.79Å; W616-Y667 HydrophobicContact CH2-CE2 3.79Å; W616-Y667 HydrophobicContact CH2-CG 4.1Å; W616-Y667 AromaticContact CH2-CZ 3.56Å; W616-Y667 HydrophobicContact CZ2-CD1 4.49Å; W616-Y667 HydrophobicContact CZ3-CE1 4.01Å; W616-Y667 AromaticContact CZ3-CZ 3.99Å; W616-L674 HydrophobicContact CD2-CD2 3.92Å; W616-L674 HydrophobicContact CE3-CD2 4.26Å; W616-L674 HydrophobicContact CG-CD2 4.44Å; W616-L674 HydrophobicContact CH2-CB 3.96Å; W616-L674 HydrophobicContact CH2-CD2 4.1Å; W616-L674 HydrophobicContact CZ2-CB 4.27Å; W616-L674 HydrophobicContact CZ2-CD2 3.76Å; W616-L674 HydrophobicContact CZ2-CG 4.47Å; W616-L674 HydrophobicContact CZ3-CB 4.38Å; W616-L674 HydrophobicContact CZ3-CD2 4.34Å
617	P	88.6	Confident	79.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	154	179.1	35.9	-44.6	0	0	0	112.1	F594 S627 L629 I632	F594-P617 HydrophobicContact CE2-CB 4.29Å; P617-S627 VanDerWaalsContact CD-O 3.28Å; P617-S627 WeakPolarHBondContact CD-O 3.23Å; P617-S627 WeakPolarHBondContact CG-O 3.37Å; P617-S627 PolarHBondContact O-N 2.87Å; P617-S627 PolarHBondContact O-OG 2.95Å; P617-L629 HydrophobicContact CG-CD1 4.16Å; P617-I632 HydrophobicContact CB-CD1 4.08Å; P617-I632 VanDerWaalsContact CD-CD1 3.42Å; P617-I632 HydrophobicContact CG-CD1 3.29Å
618	F	84.4	Confident	79.3	Confident	14 Å²	14	48.4 Å²	48.4	6%	0.061	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-91.5	121.8	163.4	-69.2	-107.7	0	0	0	108.6	V560 L624 P626 L649 F651	V560-F618 HydrophobicContact CG2-CE2 3.91Å; V560-F618 HydrophobicContact CG2-CZ 4.19Å; F618-L624 VanDerWaalsContact CD1-C 3.44Å; F618-L624 HydrophobicContact CD1-CB 4.2Å; F618-L624 HydrophobicContact CD1-CD2 4.14Å; F618-L624 HydrophobicContact CE1-CB 4.13Å; F618-L624 WeakPolarHBondContact CE1-O 3.46Å; F618-P626 HydrophobicContact CE1-CG 4.09Å; F618-P626 HydrophobicContact CE2-CG 4.13Å; F618-P626 HydrophobicContact CZ-CG 3.73Å; F618-L649 HydrophobicContact CB-CB 4.2Å; F618-L649 HydrophobicContact CB-CD2 4.27Å; F618-L649 HydrophobicContact CB-CG 4.39Å; F618-L649 HydrophobicContact CD1-CD2 3.95Å; F618-L649 HydrophobicContact CD2-CB 4.07Å; F618-L649 HydrophobicContact CD2-CD2 3.75Å; F618-L649 HydrophobicContact CD2-CG 3.51Å; F618-L649 WeakPolarHBondContact CD2-O 3.47Å; F618-L649 HydrophobicContact CE1-CD2 4.16Å; F618-L649 HydrophobicContact CE2-CD2 3.95Å; F618-L649 HydrophobicContact CE2-CG 3.8Å; F618-L649 HydrophobicContact CG-CB 4.3Å; F618-L649 HydrophobicContact CG-CD2 3.74Å; F618-L649 HydrophobicContact CG-CG 3.95Å; F618-L649 HydrophobicContact CZ-CD2 4.16Å; F618-L649 HydrophobicContact CZ-CG 4.48Å; F618-L649 PolarHBondContact N-O 3.01Å; F618-F651 HydrophobicContact CE2-CB 3.68Å; F618-F651 HydrophobicContact CZ-CB 4.21Å
619	T	69	Low	78.6	Confident	49 Å²	49	47 Å²	47	30%	0.301	26%	0.255	S	S	.	.	S	Bend	trans	-86.8	-25.3	-176.5	30.4	0	0	0	0	113.7	S627 L629 N642	T619-S627 WeakPolarHBondContact CB-OG 3.48Å; T619-S627 WeakPolarHBondContact CG2-OG 3.08Å; T619-S627 PolarHBondContact N-OG 3.42Å; T619-S627 VanDerWaalsContact OG1-CB 3.3Å; T619-S627 WeakPolarHBondContact OG1-CB 3.29Å; T619-S627 PolarHBondContact OG1-OG 3.21Å; T619-L629 HydrophobicContact CG2-CD1 3.57Å; T619-L629 HydrophobicContact CG2-CD2 3.6Å; T619-L629 HydrophobicContact CG2-CG 3.64Å; T619-N642 PolarHBondContact O-ND2 3.19Å; T619-N642 VanDerWaalsContact O-ND2 3.07Å
620	T	66.6	Low	78	Confident	55 Å²	55	50.7 Å²	50.7	34%	0.337	28%	0.28	S	S	.	.			trans	-139.3	132.1	178.1	55.5	0	0	0	0	109.4	N622 T623	T620-N622 PolarHBondContact O-N 2.89Å; T620-T623 CarbonylContact O-C 3.58Å; T620-T623 VanDerWaalsContact O-O 3.12Å; T620-T623 PolarHBondContact OG1-OG1 3.06Å
621	M	62.6	Low	77.8	Confident	53 Å²	53	55 Å²	55	26%	0.261	29%	0.29	S	S	.	.	S	Bend	trans	-71.4	-15.1	173.6	-64.2	-63.3	-85.6	0	0	112	L576 L624	L576-M621 HydrophobicContact CD2-CE 3.35Å; L576-M621 HydrophobicContact CD2-SD 4.38Å; M621-L624 HydrophobicContact SD-CD2 4.15Å
622	N	61.8	Low	77.7	Confident	154 Å²	154	51.4 Å²	51.4	82%	0.824	28%	0.275	S	S	*	.	S	Bend	trans	-77.1	-33	-179.8	-67.6	-3.5	0	0	0	113.1	T620	T620-N622 PolarHBondContact O-N 2.89Å
623	T	66.1	Low	77.4	Confident	64 Å²	64	54.4 Å²	54.4	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-128.1	91.2	173.4	55.5	0	0	0	0	106.3	T620 R625	T620-T623 CarbonylContact O-C 3.58Å; T620-T623 VanDerWaalsContact O-O 3.12Å; T620-T623 PolarHBondContact OG1-OG1 3.06Å; T623-R625 PolarHBondContact O-N 2.83Å
624	L	73.6	Confident	77	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	31%	0.311	C	S	.	.			trans	-66.2	72.6	-175.7	-73.7	165.7	0	0	0	111.2	E572 I574 L576 F618 M621 L649	E572-L624 HydrophobicContact CB-CB 4.5Å; I574-L624 HydrophobicContact CG2-CB 4.05Å; I574-L624 HydrophobicContact CG2-CD1 3.83Å; I574-L624 HydrophobicContact CG2-CG 4.39Å; I574-L624 VanDerWaalsContact O-CD1 3.24Å; I574-L624 WeakPolarHBondContact O-CD1 3.47Å; L576-L624 HydrophobicContact CD2-CD1 3.85Å; L576-L624 HydrophobicContact CD2-CD2 3.92Å; L576-L624 HydrophobicContact CD2-CG 4.31Å; L576-L624 HydrophobicContact CG-CD1 3.81Å; F618-L624 VanDerWaalsContact CD1-C 3.44Å; F618-L624 HydrophobicContact CD1-CB 4.2Å; F618-L624 HydrophobicContact CD1-CD2 4.14Å; F618-L624 HydrophobicContact CE1-CB 4.13Å; F618-L624 WeakPolarHBondContact CE1-O 3.46Å; M621-L624 HydrophobicContact SD-CD2 4.15Å; L624-L649 HydrophobicContact CD2-CD2 3.72Å
625	R	81.1	Confident	76.7	Confident	140 Å²	140	57.1 Å²	57.1	53%	0.528	32%	0.316	S	S	.	.			trans	-125	127.8	-179.9	-60	-170.8	-172.4	178.1	4.9	109.9	E572 T623 S627	E572-R625 IonicContact OE1-CZ 3.68Å; E572-R625 IonicContact OE1-NE 3.69Å; E572-R625 IonicContact OE1-NH2 3.29Å; E572-R625 PolarHBondContact OE1-NH2 3.11Å; E572-R625 VanDerWaalsContact OE2-CG 3.26Å; E572-R625 WeakPolarHBondContact OE2-CG 3.45Å; E572-R625 IonicContact OE2-CZ 3.5Å; E572-R625 IonicContact OE2-NE 3.66Å; E572-R625 PolarHBondContact OE2-NE 2.93Å; E572-R625 IonicContact OE2-NH2 2.57Å; T623-R625 PolarHBondContact O-N 2.83Å; R625-S627 PolarHBondContact O-N 2.9Å
626	P	83.5	Confident	76.5	Confident	23 Å²	23	58.4 Å²	58.4	15%	0.149	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-55.9	135.6	170.2	-25.8	35.3	0	0	0	110.3	L573 W616 F618 F651 F676	L573-P626 VanDerWaalsContact CD1-CD 3.48Å; L573-P626 HydrophobicContact CD1-CG 4.17Å; W616-P626 HydrophobicContact CB-CB 3.7Å; W616-P626 HydrophobicContact CG-CB 4.48Å; F618-P626 HydrophobicContact CE1-CG 4.09Å; F618-P626 HydrophobicContact CE2-CG 4.13Å; F618-P626 HydrophobicContact CZ-CG 3.73Å; P626-F651 HydrophobicContact CB-CB 4.23Å; P626-F651 HydrophobicContact CB-CD1 4.17Å; P626-F651 HydrophobicContact CG-CB 3.81Å; P626-F651 HydrophobicContact CG-CD1 3.94Å; P626-F651 HydrophobicContact CG-CG 4.07Å; P626-F676 HydrophobicContact CB-CE2 4.29Å; P626-F676 HydrophobicContact CB-CZ 4.27Å; P626-F676 HydrophobicContact CG-CE2 3.95Å; P626-F676 HydrophobicContact CG-CZ 3.72Å
627	S	79.7	Confident	76.2	Confident	22 Å²	22	57.9 Å²	57.9	15%	0.154	32%	0.323	C	S	.	.			trans	-126.6	146.6	-173.3	55.9	0	0	0	0	111	P617 T619 R625	P617-S627 VanDerWaalsContact CD-O 3.28Å; P617-S627 WeakPolarHBondContact CD-O 3.23Å; P617-S627 WeakPolarHBondContact CG-O 3.37Å; P617-S627 PolarHBondContact O-N 2.87Å; P617-S627 PolarHBondContact O-OG 2.95Å; T619-S627 WeakPolarHBondContact CB-OG 3.48Å; T619-S627 WeakPolarHBondContact CG2-OG 3.08Å; T619-S627 PolarHBondContact N-OG 3.42Å; T619-S627 VanDerWaalsContact OG1-CB 3.3Å; T619-S627 WeakPolarHBondContact OG1-CB 3.29Å; T619-S627 PolarHBondContact OG1-OG 3.21Å; R625-S627 PolarHBondContact O-N 2.9Å
628	N	77.7	Confident	75.8	Confident	73 Å²	73	62.3 Å²	62.3	39%	0.39	34%	0.343	S	S	.	.			trans	-98.3	108.1	171.1	-171.8	-3.4	0	0	0	108.8	W616 Y667 P669	W616-N628 HydrophobicContact CE3-CB 4.48Å; W616-N628 HydrophobicContact CZ3-CB 4.05Å; N628-Y667 VanDerWaalsContact ND2-CE1 3.28Å; N628-Y667 WeakPolarHBondContact ND2-CE1 3.48Å; N628-Y667 PolarHBondContact ND2-OH 3.08Å; N628-P669 WeakPolarHBondContact ND2-CB 3.38Å
629	L	70.1	Confident	75.6	Confident	56 Å²	56	68.2 Å²	68.2	29%	0.293	37%	0.371	S	S	.	.			trans	-94.1	126.6	177.2	-76.9	173.3	0	0	0	110.1	P617 T619 N631 I632 L640	P617-L629 HydrophobicContact CG-CD1 4.16Å; T619-L629 HydrophobicContact CG2-CD1 3.57Å; T619-L629 HydrophobicContact CG2-CD2 3.6Å; T619-L629 HydrophobicContact CG2-CG 3.64Å; L629-N631 PolarHBondContact O-N 3.47Å; L629-I632 HydrophobicContact CB-CB 3.89Å; L629-I632 HydrophobicContact CB-CD1 4.32Å; L629-I632 HydrophobicContact CB-CG1 4.17Å; L629-I632 HydrophobicContact CD1-CD1 4.48Å; L629-I632 HydrophobicContact CD1-CG1 4.38Å; L629-I632 WeakPolarHBondContact O-CB 3.43Å; L629-I632 PolarHBondContact O-N 3.03Å; L629-L640 HydrophobicContact CD1-CD2 3.68Å
630	S	68.8	Low	76	Confident	107 Å²	107	67 Å²	67	75%	0.748	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	134.5	168.7	55.4	0	0	0	0	110.4	I632	S630-I632 PolarHBondContact O-N 3.29Å
631	N	69.8	Low	76.3	Confident	142 Å²	142	64.5 Å²	64.5	76%	0.759	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	22.5	-179.2	-62.1	-21.6	0	0	0	115.5	L629 E633 A634	L629-N631 PolarHBondContact O-N 3.47Å; N631-E633 PolarHBondContact O-N 3.45Å; N631-E633 VanDerWaalsContact O-N 3.12Å; N631-A634 PolarHBondContact O-N 3.03Å
632	I	81.3	Confident	76.4	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.108	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-53.6	-34.6	179.5	-165.6	-177.3	0	0	0	113.7	F594 P617 L629 S630 A634 C635 L640	F594-I632 HydrophobicContact CB-CG1 4.21Å; F594-I632 WeakPolarHBondContact CB-O 3.11Å; F594-I632 HydrophobicContact CD1-CD1 3.74Å; F594-I632 HydrophobicContact CD1-CG1 3.88Å; F594-I632 HydrophobicContact CD1-CG2 4.17Å; F594-I632 HydrophobicContact CD2-CD1 3.85Å; F594-I632 HydrophobicContact CD2-CG1 4.07Å; F594-I632 HydrophobicContact CE1-CD1 3.56Å; F594-I632 HydrophobicContact CE1-CG1 4.23Å; F594-I632 HydrophobicContact CE1-CG2 4.41Å; F594-I632 HydrophobicContact CE2-CD1 3.67Å; F594-I632 HydrophobicContact CE2-CG1 4.4Å; F594-I632 HydrophobicContact CG-CD1 3.88Å; F594-I632 HydrophobicContact CG-CG1 3.79Å; F594-I632 HydrophobicContact CZ-CD1 3.52Å; F594-I632 HydrophobicContact CZ-CG1 4.47Å; P617-I632 HydrophobicContact CB-CD1 4.08Å; P617-I632 VanDerWaalsContact CD-CD1 3.42Å; P617-I632 HydrophobicContact CG-CD1 3.29Å; L629-I632 HydrophobicContact CB-CB 3.89Å; L629-I632 HydrophobicContact CB-CD1 4.32Å; L629-I632 HydrophobicContact CB-CG1 4.17Å; L629-I632 HydrophobicContact CD1-CD1 4.48Å; L629-I632 HydrophobicContact CD1-CG1 4.38Å; L629-I632 WeakPolarHBondContact O-CB 3.43Å; L629-I632 PolarHBondContact O-N 3.03Å; S630-I632 PolarHBondContact O-N 3.29Å; I632-A634 PolarHBondContact O-N 2.86Å; I632-A634 VanDerWaalsContact O-N 3.08Å; I632-C635 WeakPolarHBondContact O-CB 3.28Å; I632-C635 PolarHBondContact O-N 2.87Å; I632-L640 HydrophobicContact CG1-CD2 4.41Å
633	E	79.9	Confident	76.1	Confident	104 Å²	104	66.3 Å²	66.3	49%	0.486	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58.5	-27.4	-175.7	-67.5	-170.5	172.4	0	0	113.5	R595 N631	R595-E633 HydrophobicContact CB-CB 4.17Å; R595-E633 WeakPolarHBondContact CB-O 3.45Å; R595-E633 PolarHBondContact N-O 2.88Å; R595-E633 PolarHBondContact NE-O 3.45Å; N631-E633 PolarHBondContact O-N 3.45Å; N631-E633 VanDerWaalsContact O-N 3.12Å
634	A	82.3	Confident	75.6	Confident	56 Å²	56	66.2 Å²	66.2	46%	0.463	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-94.8	-5.3	177.1	0	0	0	0	0	113.6	N631 I632	N631-A634 PolarHBondContact O-N 3.03Å; I632-A634 PolarHBondContact O-N 2.86Å; I632-A634 VanDerWaalsContact O-N 3.08Å
635	C	83.6	Confident	75.1	Confident	36 Å²	36	69.1 Å²	69.1	24%	0.243	39%	0.385	C	S	.	.			trans	-75.4	136.1	176.2	-66.8	0	0	0	0	110.2	E593 F594 I632 H639 L640	E593-C635 WeakPolarHBondContact CA-O 3.48Å; F594-C635 PolarHBondContact N-O 3.49Å; I632-C635 WeakPolarHBondContact O-CB 3.28Å; I632-C635 PolarHBondContact O-N 2.87Å; C635-H639 HydrophobicContact CB-CB 4.47Å; C635-L640 HydrophobicContact CB-CG 4.43Å
636	T	86.2	Confident	74.7	Confident	35 Å²	35	67.1 Å²	67.1	22%	0.215	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-77.7	158	171.7	59.4	0	0	0	0	110.7	M592 E638 H639 L640	M592-T636 WeakPolarHBondContact O-CA 3.38Å; T636-E638 PolarHBondContact O-N 2.82Å; T636-H639 PolarHBondContact O-N 2.82Å; T636-H639 PolarHBondContact OG1-N 2.84Å; T636-L640 PolarHBondContact O-N 3.37Å
637	M	83	Confident	74.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-56	-33.7	172.8	-63.2	-57.8	100.9	0	0	111.8	V588 R590 M592 F594 L597 H639 L640 S641 V648	V588-M637 HydrophobicContact CG2-CG 4Å; R590-M637 PolarHBondContact O-N 3.28Å; M592-M637 HydrophobicContact CB-CG 4.28Å; M592-M637 PolarHBondContact O-N 3.34Å; F594-M637 HydrophobicContact CB-CE 3.97Å; F594-M637 HydrophobicContact CD2-CE 3.93Å; F594-M637 HydrophobicContact CG-CE 4.4Å; L597-M637 HydrophobicContact CD1-CE 3.75Å; L597-M637 HydrophobicContact CD1-SD 3.85Å; L597-M637 HydrophobicContact CD2-CE 4.46Å; L597-M637 HydrophobicContact CD2-SD 4.2Å; L597-M637 HydrophobicContact CG-CE 4.01Å; L597-M637 HydrophobicContact CG-SD 4.28Å; M637-H639 PolarHBondContact O-N 2.84Å; M637-L640 HydrophobicContact CE-CD1 3.84Å; M637-L640 PolarHBondContact O-N 3.01Å; M637-L640 HydrophobicContact SD-CD1 4.48Å; M637-S641 WeakPolarHBondContact O-CB 3.5Å; M637-S641 PolarHBondContact O-N 3.23Å; M637-S641 PolarHBondContact O-OG 2.9Å; M637-V648 HydrophobicContact CB-CG2 4.48Å
638	E	80.9	Confident	74.8	Confident	96 Å²	96	67.7 Å²	67.7	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-46.6	174.3	-169.7	168.2	-161.7	0	0	112.6	R590 T636 L640 S641	R590-E638 HydrophobicContact CB-CB 4.29Å; R590-E638 PolarHBondContact O-N 2.49Å; T636-E638 PolarHBondContact O-N 2.82Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.88Å; E638-S641 WeakPolarHBondContact CA-OG 3.44Å; E638-S641 PolarHBondContact O-N 3.45Å; E638-S641 VanDerWaalsContact O-N 3.16Å; E638-S641 PolarHBondContact O-OG 2.87Å
639	H	79.9	Confident	75.3	Confident	138 Å²	138	64.5 Å²	64.5	64%	0.639	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-34.9	177.7	-109.5	89.8	0	0	0	113	C635 T636 M637 S641	C635-H639 HydrophobicContact CB-CB 4.47Å; T636-H639 PolarHBondContact O-N 2.82Å; T636-H639 PolarHBondContact OG1-N 2.84Å; M637-H639 PolarHBondContact O-N 2.84Å; H639-S641 VanDerWaalsContact C-N 3.29Å
640	L	77.7	Confident	76.2	Confident	24 Å²	24	61.8 Å²	61.8	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-73.3	-25.3	177.2	-66.7	171.8	0	0	0	112.1	F594 L629 I632 C635 T636 M637 E638 N642 V648	F594-L640 HydrophobicContact CB-CD1 4.43Å; F594-L640 HydrophobicContact CD2-CD1 3.41Å; F594-L640 VanDerWaalsContact CD2-CD1 3.41Å; F594-L640 HydrophobicContact CE2-CD1 4.07Å; F594-L640 HydrophobicContact CG-CD1 4.31Å; L629-L640 HydrophobicContact CD1-CD2 3.68Å; I632-L640 HydrophobicContact CG1-CD2 4.41Å; C635-L640 HydrophobicContact CB-CG 4.43Å; T636-L640 PolarHBondContact O-N 3.37Å; M637-L640 HydrophobicContact CE-CD1 3.84Å; M637-L640 PolarHBondContact O-N 3.01Å; M637-L640 HydrophobicContact SD-CD1 4.48Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.88Å; L640-N642 VanDerWaalsContact C-N 3.27Å; L640-N642 PolarHBondContact O-N 3.02Å; L640-V648 HydrophobicContact CB-CG1 4.13Å; L640-V648 HydrophobicContact CB-CG2 4.41Å
641	S	73.7	Confident	77.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.021	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	39.8	179.6	69.1	0	0	0	0	114.4	M637 E638 H639 N643 G644 D645	M637-S641 WeakPolarHBondContact O-CB 3.5Å; M637-S641 PolarHBondContact O-N 3.23Å; M637-S641 PolarHBondContact O-OG 2.9Å; E638-S641 WeakPolarHBondContact CA-OG 3.44Å; E638-S641 PolarHBondContact O-N 3.45Å; E638-S641 VanDerWaalsContact O-N 3.16Å; E638-S641 PolarHBondContact O-OG 2.87Å; H639-S641 VanDerWaalsContact C-N 3.29Å; S641-N643 PolarHBondContact O-N 3.27Å; S641-G644 PolarHBondContact O-N 3.09Å; S641-G644 VanDerWaalsContact O-N 3.1Å; S641-D645 VanDerWaalsContact CB-O 3.27Å; S641-D645 WeakPolarHBondContact CB-O 3.15Å; S641-D645 PolarHBondContact O-N 2.82Å
642	N	64.5	Low	78.3	Confident	98 Å²	98	50 Å²	50	52%	0.524	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.3	46.1	173.3	-79.7	-25.8	0	0	0	116.2	T619 L640 G644	T619-N642 PolarHBondContact O-ND2 3.19Å; T619-N642 VanDerWaalsContact O-ND2 3.07Å; L640-N642 VanDerWaalsContact C-N 3.27Å; L640-N642 PolarHBondContact O-N 3.02Å; N642-G644 PolarHBondContact O-N 3.38Å
643	N	54	Low	78.7	Confident	147 Å²	147	49 Å²	49	79%	0.786	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	18.8	-177.9	-77.3	-14.5	0	0	0	117.7	S641	S641-N643 PolarHBondContact O-N 3.27Å
644	G	56.4	Low	79.1	Confident	61 Å²	61	46.8 Å²	46.8	63%	0.629	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.2	-26.9	-172.9	0	0	0	0	0	114.9	S641 N642	S641-G644 PolarHBondContact O-N 3.09Å; S641-G644 VanDerWaalsContact O-N 3.1Å; N642-G644 PolarHBondContact O-N 3.38Å
645	D	62.7	Low	79.2	Confident	70 Å²	70	46 Å²	46	37%	0.374	26%	0.256	S	S	.	.			trans	-80.6	137.3	178.9	-69.2	-32.5	0	0	0	110	S641	S641-D645 VanDerWaalsContact CB-O 3.27Å; S641-D645 WeakPolarHBondContact CB-O 3.15Å; S641-D645 PolarHBondContact O-N 2.82Å
646	T	72.3	Confident	78.9	Confident	98 Å²	98	46.8 Å²	46.8	60%	0.601	26%	0.258	S	S	*	.	S	Bend	trans	-85	-2.9	174.1	43.8	0	0	0	0	112.9	L556	L556-T646 PolarHBondContact N-O 3.37Å
647	E	81.2	Confident	78.2	Confident	52 Å²	52	52.6 Å²	52.6	24%	0.243	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.3	-170.1	-170.1	165.1	-172	0	0	110.4	L556 S558 K585	L556-E647 HydrophobicContact CB-CB 4.41Å; L556-E647 HydrophobicContact CB-CG 4.3Å; L556-E647 HydrophobicContact CD2-CG 4.08Å; L556-E647 HydrophobicContact CG-CG 4.47Å; L556-E647 CarbonylContact O-C 3.48Å; L556-E647 VanDerWaalsContact O-CA 3.26Å; L556-E647 WeakPolarHBondContact O-CA 3.4Å; S558-E647 WeakPolarHBondContact CB-OE1 3.49Å; S558-E647 PolarHBondContact OG-OE1 3.44Å; K585-E647 WeakPolarHBondContact CE-OE1 3.47Å; K585-E647 IonicContact NZ-OE1 3.41Å; K585-E647 PolarHBondContact NZ-OE1 2.93Å; K585-E647 IonicContact NZ-OE2 3.79Å
648	V	84.8	Confident	77.6	Confident	5 Å²	5	57 Å²	57	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.1	173.9	178.6	0	0	0	0	107.3	L556 L557 S558 M637 L640 V650	L556-V648 PolarHBondContact O-N 2.99Å; L557-V648 WeakPolarHBondContact CA-O 3.37Å; L557-V648 HydrophobicContact CD1-CB 4.43Å; L557-V648 HydrophobicContact CD1-CG1 4.32Å; S558-V648 PolarHBondContact N-O 2.97Å; M637-V648 HydrophobicContact CB-CG2 4.48Å; L640-V648 HydrophobicContact CB-CG1 4.13Å; L640-V648 HydrophobicContact CB-CG2 4.41Å; V648-V650 HydrophobicContact CG1-CG2 4.12Å
649	L	87.4	Confident	77.1	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.2	178.1	-176	65.7	0	0	0	110.4	S558 V560 L579 F618 L624	S558-L649 WeakPolarHBondContact O-CA 3.47Å; V560-L649 HydrophobicContact CG1-CD1 3.89Å; V560-L649 HydrophobicContact CG2-CD1 4.19Å; L579-L649 HydrophobicContact CD1-CD2 3.98Å; L579-L649 HydrophobicContact CD2-CD1 3.68Å; L579-L649 HydrophobicContact CD2-CD2 4.03Å; F618-L649 HydrophobicContact CB-CB 4.2Å; F618-L649 HydrophobicContact CB-CD2 4.27Å; F618-L649 HydrophobicContact CB-CG 4.39Å; F618-L649 HydrophobicContact CD1-CD2 3.95Å; F618-L649 HydrophobicContact CD2-CB 4.07Å; F618-L649 HydrophobicContact CD2-CD2 3.75Å; F618-L649 HydrophobicContact CD2-CG 3.51Å; F618-L649 WeakPolarHBondContact CD2-O 3.47Å; F618-L649 HydrophobicContact CE1-CD2 4.16Å; F618-L649 HydrophobicContact CE2-CD2 3.95Å; F618-L649 HydrophobicContact CE2-CG 3.8Å; F618-L649 HydrophobicContact CG-CB 4.3Å; F618-L649 HydrophobicContact CG-CD2 3.74Å; F618-L649 HydrophobicContact CG-CG 3.95Å; F618-L649 HydrophobicContact CZ-CD2 4.16Å; F618-L649 HydrophobicContact CZ-CG 4.48Å; F618-L649 PolarHBondContact N-O 3.01Å; L624-L649 HydrophobicContact CD2-CD2 3.72Å
650	V	89.5	Confident	76.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.8	179.6	179.4	0	0	0	0	110.2	L557 S558 I559 V560 F594 L615 V648	L557-V650 HydrophobicContact CD1-CB 4.31Å; L557-V650 HydrophobicContact CD1-CG2 3.66Å; S558-V650 PolarHBondContact O-N 3.14Å; I559-V650 WeakPolarHBondContact CA-O 3.43Å; I559-V650 HydrophobicContact CD1-CB 3.88Å; I559-V650 HydrophobicContact CD1-CG1 4.32Å; V560-V650 PolarHBondContact N-O 3.02Å; F594-V650 HydrophobicContact CE2-CG2 4.2Å; L615-V650 HydrophobicContact CB-CG1 3.94Å; L615-V650 HydrophobicContact CD2-CG1 4.16Å; V648-V650 HydrophobicContact CG1-CG2 4.12Å
651	F	91	Very high	76.4	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.7	168.9	168.8	-120.9	0	0	0	109.9	V560 F565 W616 F618 P626 E653 L674 F676	V560-F651 HydrophobicContact CG2-CB 4.26Å; V560-F651 CarbonylContact O-C 3.51Å; V560-F651 WeakPolarHBondContact O-CA 3.26Å; V560-F651 WeakPolarHBondContact O-CD2 3.39Å; F565-F651 AromaticContact CE2-CD2 3.72Å; F565-F651 HydrophobicContact CE2-CD2 3.72Å; F565-F651 AromaticContact CE2-CE2 3.56Å; F565-F651 HydrophobicContact CE2-CE2 3.56Å; F565-F651 HydrophobicContact CE2-CG 4.41Å; F565-F651 HydrophobicContact CE2-CZ 4.12Å; F565-F651 AromaticContact CZ-CD2 3.63Å; F565-F651 HydrophobicContact CZ-CD2 3.63Å; F565-F651 AromaticContact CZ-CE2 3.98Å; F565-F651 HydrophobicContact CZ-CE2 3.98Å; F565-F651 HydrophobicContact CZ-CG 4.21Å; W616-F651 HydrophobicContact CB-CB 4.24Å; W616-F651 HydrophobicContact CB-CD1 4.04Å; W616-F651 AromaticContact CD1-CD1 3.6Å; W616-F651 AromaticContact CD1-CE1 3.99Å; W616-F651 HydrophobicContact CG-CD1 4.02Å; W616-F651 PolarHBondContact N-O 3.4Å; W616-F651 PolarHBondContact O-N 3.2Å; F618-F651 HydrophobicContact CE2-CB 3.68Å; F618-F651 HydrophobicContact CZ-CB 4.21Å; P626-F651 HydrophobicContact CB-CB 4.23Å; P626-F651 HydrophobicContact CB-CD1 4.17Å; P626-F651 HydrophobicContact CG-CB 3.81Å; P626-F651 HydrophobicContact CG-CD1 3.94Å; P626-F651 HydrophobicContact CG-CG 4.07Å; F651-E653 HydrophobicContact CE1-CB 3.95Å; F651-E653 HydrophobicContact CZ-CB 4.22Å; F651-L674 HydrophobicContact CE1-CD2 4.44Å; F651-F676 HydrophobicContact CD1-CE1 4.46Å; F651-F676 AromaticContact CD1-CZ 3.98Å; F651-F676 HydrophobicContact CD1-CZ 3.98Å; F651-F676 AromaticContact CE1-CE1 3.9Å; F651-F676 HydrophobicContact CE1-CE1 3.9Å; F651-F676 AromaticContact CE1-CZ 3.69Å; F651-F676 HydrophobicContact CE1-CZ 3.69Å; F651-F676 HydrophobicContact CZ-CE1 4.06Å; F651-F676 HydrophobicContact CZ-CZ 4.32Å
652	M	91.5	Very high	76.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	102.4	174.6	-174.9	175.6	-173.9	0	0	108.7	I559 V560 T561 Y605 L607 F613 L615 L654	I559-M652 HydrophobicContact CG2-CB 3.71Å; I559-M652 HydrophobicContact CG2-SD 4.11Å; V560-M652 PolarHBondContact O-N 2.78Å; T561-M652 HydrophobicContact CG2-CB 4.11Å; Y605-M652 HydrophobicContact CD2-CE 4.14Å; Y605-M652 HydrophobicContact CD2-SD 4.22Å; Y605-M652 HydrophobicContact CE2-SD 4.14Å; Y605-M652 HydrophobicContact CG-CE 4.16Å; Y605-M652 HydrophobicContact CG-SD 4.48Å; L607-M652 HydrophobicContact CD1-CE 3.77Å; F613-M652 HydrophobicContact CB-CE 3.59Å; F613-M652 HydrophobicContact CB-CG 4.13Å; F613-M652 HydrophobicContact CD1-CE 3.79Å; F613-M652 HydrophobicContact CD2-CE 3.54Å; F613-M652 HydrophobicContact CD2-CG 4.18Å; F613-M652 HydrophobicContact CE1-CE 4.32Å; F613-M652 HydrophobicContact CE2-CE 4.1Å; F613-M652 HydrophobicContact CG-CE 3.35Å; F613-M652 HydrophobicContact CG-CG 4.46Å; F613-M652 HydrophobicContact CZ-CE 4.46Å; L615-M652 HydrophobicContact CD2-CB 4.15Å; L615-M652 HydrophobicContact CD2-CG 4.02Å; M652-L654 HydrophobicContact CE-CD2 3.76Å; M652-L654 HydrophobicContact CG-CD2 3.91Å; M652-L654 HydrophobicContact CG-CG 4.49Å; M652-L654 PolarHBondContact O-N 2.83Å; M652-L654 HydrophobicContact SD-CD2 4.08Å
653	E	90.9	Very high	77.3	Confident	2 Å²	2	69 Å²	69	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.7	170.7	176.7	-177.4	-162.1	0	0	107.9	F613 R614 W616 F651 L664 H692	F613-E653 CarbonylContact C-O 3.47Å; F613-E653 WeakPolarHBondContact CA-O 3.26Å; F613-E653 WeakPolarHBondContact CB-O 3.49Å; R614-E653 HydrophobicContact CB-CB 4.34Å; R614-E653 IonicContact CZ-OE2 3.33Å; R614-E653 PolarHBondContact N-O 3.29Å; R614-E653 IonicContact NH1-OE1 2.67Å; R614-E653 IonicContact NH1-OE2 2.73Å; R614-E653 PolarHBondContact NH1-OE2 3.28Å; R614-E653 PolarHBondContact O-N 2.94Å; W616-E653 PolarHBondContact NE1-OE2 2.89Å; F651-E653 HydrophobicContact CE1-CB 3.95Å; F651-E653 HydrophobicContact CZ-CB 4.22Å; E653-L664 HydrophobicContact CG-CD1 4.32Å; E653-L664 HydrophobicContact CG-CD2 3.84Å; E653-H692 IonicContact OE1-CD2 3.35Å; E653-H692 IonicContact OE1-NE2 3.8Å; E653-H692 PolarHBondContact OE1-NE2 3.42Å
654	L	87.5	Confident	78.8	Confident	57 Å²	57	62.9 Å²	62.9	30%	0.298	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.9	176.4	-62.9	176.9	0	0	0	110.2	T561 L607 F613 M652	T561-L654 HydrophobicContact CG2-CD1 3.73Å; T561-L654 HydrophobicContact CG2-CG 4.1Å; L607-L654 HydrophobicContact CD1-CD2 3.58Å; F613-L654 HydrophobicContact CB-CD2 4.01Å; M652-L654 HydrophobicContact CE-CD2 3.76Å; M652-L654 HydrophobicContact CG-CD2 3.91Å; M652-L654 HydrophobicContact CG-CG 4.49Å; M652-L654 PolarHBondContact O-N 2.83Å; M652-L654 HydrophobicContact SD-CD2 4.08Å
655	F	84.2	Confident	80.2	Confident	38 Å²	38	62.7 Å²	62.7	17%	0.167	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.3	153.4	168.9	78.9	-77.3	0	0	0	111.3	L607 Q612 F657 Q661 L664	L607-F655 HydrophobicContact CD2-CE1 4.02Å; Q612-F655 HydrophobicContact CB-CD1 3.61Å; Q612-F655 HydrophobicContact CB-CE1 3.99Å; Q612-F655 HydrophobicContact CB-CG 4.4Å; Q612-F655 HydrophobicContact CG-CD1 3.93Å; Q612-F655 HydrophobicContact CG-CE1 4.05Å; Q612-F655 HydrophobicContact CG-CG 4.48Å; Q612-F655 VanDerWaalsContact O-CD1 3.31Å; Q612-F655 WeakPolarHBondContact O-CD1 3.34Å; Q612-F655 PolarHBondContact O-N 2.94Å; F655-F657 HydrophobicContact CE2-CB 4.1Å; F655-F657 HydrophobicContact CZ-CB 4.28Å; F655-F657 PolarHBondContact O-N 2.93Å; F655-Q661 WeakPolarHBondContact CD2-O 3.39Å; F655-Q661 WeakPolarHBondContact CE2-O 3.28Å; F655-L664 HydrophobicContact CB-CD2 4.3Å; F655-L664 HydrophobicContact CB-CG 4.17Å
656	D	77.4	Confident	81.2	Confident	53 Å²	53	64.2 Å²	64.2	28%	0.283	34%	0.336	S	S	.	.			trans	-77.7	95.4	-179.6	-168.3	-21.9	0	0	0	111.2	V658 H659 Q661	D656-V658 VanDerWaalsContact C-N 3.27Å; D656-V658 PolarHBondContact O-N 2.85Å; D656-V658 WeakPolarHBondContact OD1-CA 3.1Å; D656-V658 WeakPolarHBondContact OD1-CB 3.49Å; D656-V658 PolarHBondContact OD1-N 3.35Å; D656-H659 VanDerWaalsContact CG-ND1 3.27Å; D656-H659 IonicContact OD1-CG 3.86Å; D656-H659 PolarHBondContact OD1-N 3.46Å; D656-H659 IonicContact OD1-ND1 3.04Å; D656-H659 PolarHBondContact OD1-ND1 2.87Å; D656-H659 IonicContact OD2-CE1 3.83Å; D656-H659 IonicContact OD2-CG 3.49Å; D656-H659 IonicContact OD2-ND1 2.75Å; D656-H659 PolarHBondContact OD2-ND1 3.13Å; D656-Q661 HydrophobicContact CB-CB 4.29Å; D656-Q661 HydrophobicContact CB-CG 4.22Å; D656-Q661 WeakPolarHBondContact O-CB 3.38Å; D656-Q661 PolarHBondContact O-N 2.94Å; D656-Q661 VanDerWaalsContact O-N 3.08Å
657	F	72	Confident	81.9	Confident	157 Å²	157	61.6 Å²	61.6	69%	0.689	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	175.5	70.2	-89.5	0	0	0	112.8	F655	F655-F657 HydrophobicContact CE2-CB 4.1Å; F655-F657 HydrophobicContact CZ-CB 4.28Å; F655-F657 PolarHBondContact O-N 2.93Å
658	V	70.2	Confident	82	Confident	93 Å²	93	65.8 Å²	65.8	56%	0.564	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.2	-175	-178.6	0	0	0	0	110.3	D656 E660	D656-V658 VanDerWaalsContact C-N 3.27Å; D656-V658 PolarHBondContact O-N 2.85Å; D656-V658 WeakPolarHBondContact OD1-CA 3.1Å; D656-V658 WeakPolarHBondContact OD1-CB 3.49Å; D656-V658 PolarHBondContact OD1-N 3.35Å; V658-E660 VanDerWaalsContact C-N 3.34Å
659	H	71.2	Confident	81.9	Confident	140 Å²	140	69 Å²	69	65%	0.648	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	24.1	179.9	-58.8	96.3	0	0	0	113.4	D656 Q661	D656-H659 VanDerWaalsContact CG-ND1 3.27Å; D656-H659 IonicContact OD1-CG 3.86Å; D656-H659 PolarHBondContact OD1-N 3.46Å; D656-H659 IonicContact OD1-ND1 3.04Å; D656-H659 PolarHBondContact OD1-ND1 2.87Å; D656-H659 IonicContact OD2-CE1 3.83Å; D656-H659 IonicContact OD2-CG 3.49Å; D656-H659 IonicContact OD2-ND1 2.75Å; D656-H659 PolarHBondContact OD2-ND1 3.13Å; H659-Q661 PolarHBondContact O-N 3.32Å; H659-Q661 VanDerWaalsContact O-N 3.08Å
660	E	68.3	Low	81.8	Confident	175 Å²	175	76 Å²	76	82%	0.818	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	28.1	176.4	-58.4	-174.8	167.9	0	0	114.5	V658	V658-E660 VanDerWaalsContact C-N 3.34Å
661	Q	73	Confident	81.7	Confident	91 Å²	91	80.2 Å²	80.2	43%	0.425	41%	0.407	S	S	.	.			trans	-68.5	141.3	169.6	-65.9	-170	-7.2	0	0	108.8	F655 D656 H659	F655-Q661 WeakPolarHBondContact CD2-O 3.39Å; F655-Q661 WeakPolarHBondContact CE2-O 3.28Å; D656-Q661 HydrophobicContact CB-CB 4.29Å; D656-Q661 HydrophobicContact CB-CG 4.22Å; D656-Q661 WeakPolarHBondContact O-CB 3.38Å; D656-Q661 PolarHBondContact O-N 2.94Å; D656-Q661 VanDerWaalsContact O-N 3.08Å; H659-Q661 PolarHBondContact O-N 3.32Å; H659-Q661 VanDerWaalsContact O-N 3.08Å
662	T	74.3	Confident	81.7	Confident	112 Å²	112	81.9 Å²	81.9	69%	0.687	41%	0.414	S	S	*	.			trans	-98.5	-22.3	176.7	51.7	0	0	0	0	112.4
663	E	84.3	Confident	81.5	Confident	94 Å²	94	84.3 Å²	84.3	44%	0.439	43%	0.429	S	S	.	.	S	Bend	trans	-145.2	150.1	-174.5	-57.2	-172.5	173.3	0	0	110.4	K611	K611-E663 HydrophobicContact CB-CG 4.19Å; K611-E663 HydrophobicContact CD-CG 4.4Å; K611-E663 WeakPolarHBondContact CD-OE1 3.41Å; K611-E663 WeakPolarHBondContact CE-OE1 3.3Å; K611-E663 HydrophobicContact CG-CG 4.39Å; K611-E663 IonicContact NZ-OE1 2.71Å; K611-E663 PolarHBondContact NZ-OE1 3.22Å; K611-E663 CarbonylContact O-C 3.44Å; K611-E663 VanDerWaalsContact O-CA 3.26Å; K611-E663 WeakPolarHBondContact O-CA 3.28Å
664	L	85.1	Confident	81.4	Confident	18 Å²	18	85.4 Å²	85.4	9%	0.094	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-67.4	147.1	173.1	-79	171.5	0	0	0	111.2	K611 F613 R614 E653 F655	K611-L664 PolarHBondContact O-N 3.29Å; F613-L664 VanDerWaalsContact C-CD1 3.42Å; R614-L664 HydrophobicContact CB-CD1 3.92Å; E653-L664 HydrophobicContact CG-CD1 4.32Å; E653-L664 HydrophobicContact CG-CD2 3.84Å; F655-L664 HydrophobicContact CB-CD2 4.3Å; F655-L664 HydrophobicContact CB-CG 4.17Å
665	P	84.7	Confident	81.4	Confident	56 Å²	56	84.7 Å²	84.7	36%	0.364	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-60.7	146.2	173.2	22	-29.7	0	0	0	111.6	R614 Y667 I694	R614-P665 PolarHBondContact NH2-O 3.12Å; P665-Y667 PolarHBondContact O-N 2.89Å; P665-I694 HydrophobicContact CG-CD1 3.98Å
666	P	84.2	Confident	81.7	Confident	102 Å²	102	85 Å²	85	66%	0.662	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-63.9	133.8	-179.9	26.4	-33.8	0	0	0	110.8	H672	P666-H672 PolarHBondContact O-CE1 3.2Å; P666-H672 PolarHBondContact O-ND1 3.42Å; P666-H672 VanDerWaalsContact O-ND1 3.12Å
667	Y	86.7	Confident	82.2	Confident	43 Å²	43	83.8 Å²	83.8	17%	0.169	43%	0.428	C	S	.	.			trans	-118	128.8	176.9	179.5	-103.6	0	0	0	110.1	R614 W616 N628 P665 P669 H672 I694	R614-Y667 VanDerWaalsContact NH2-CB 3.33Å; W616-Y667 AromaticContact CH2-CD1 3.86Å; W616-Y667 HydrophobicContact CH2-CD1 3.86Å; W616-Y667 HydrophobicContact CH2-CD2 4.05Å; W616-Y667 AromaticContact CH2-CE1 3.56Å; W616-Y667 HydrophobicContact CH2-CE1 3.56Å; W616-Y667 AromaticContact CH2-CE2 3.79Å; W616-Y667 HydrophobicContact CH2-CE2 3.79Å; W616-Y667 HydrophobicContact CH2-CG 4.1Å; W616-Y667 AromaticContact CH2-CZ 3.56Å; W616-Y667 HydrophobicContact CZ2-CD1 4.49Å; W616-Y667 HydrophobicContact CZ3-CE1 4.01Å; W616-Y667 AromaticContact CZ3-CZ 3.99Å; N628-Y667 VanDerWaalsContact ND2-CE1 3.28Å; N628-Y667 WeakPolarHBondContact ND2-CE1 3.48Å; N628-Y667 PolarHBondContact ND2-OH 3.08Å; P665-Y667 PolarHBondContact O-N 2.89Å; Y667-P669 HydrophobicContact CD1-CG 4.48Å; Y667-P669 HydrophobicContact CE1-CB 4.39Å; Y667-P669 HydrophobicContact CE1-CG 3.95Å; Y667-H672 HydrophobicContact CD2-CB 3.69Å; Y667-H672 HydrophobicContact CE2-CB 3.75Å; Y667-H672 VanDerWaalsContact CE2-O 3.28Å; Y667-H672 WeakPolarHBondContact CE2-O 3.33Å; Y667-H672 PolarHBondContact OH-O 3.1Å; Y667-I694 HydrophobicContact CD2-CD1 4.19Å; Y667-I694 HydrophobicContact CD2-CG2 3.9Å
668	R	84.9	Confident	83	Confident	140 Å²	140	79.7 Å²	79.7	53%	0.528	41%	0.41	S	S	.	.			trans	-123.9	114.7	175.6	-72	180	-178.1	-177.7	4.1	107.5	D670 E671 H672	R668-D670 PolarHBondContact O-N 3.22Å; R668-D670 VanDerWaalsContact O-N 3.11Å; R668-E671 HydrophobicContact CB-CB 4Å; R668-E671 HydrophobicContact CB-CG 4.33Å; R668-E671 VanDerWaalsContact CD-CD 3.45Å; R668-E671 WeakPolarHBondContact CD-OE1 3.38Å; R668-E671 VanDerWaalsContact CD-OE2 3.28Å; R668-E671 WeakPolarHBondContact CD-OE2 3.33Å; R668-E671 IonicContact CZ-OE1 3.93Å; R668-E671 IonicContact CZ-OE2 3.96Å; R668-E671 IonicContact NH1-OE1 2.92Å; R668-E671 PolarHBondContact NH1-OE1 3.23Å; R668-E671 IonicContact NH1-OE2 3.18Å; R668-E671 PolarHBondContact NH1-OE2 3.48Å; R668-E671 PolarHBondContact O-N 3.17Å; R668-H672 PolarHBondContact N-ND1 3.25Å; R668-H672 VanDerWaalsContact N-ND1 3.18Å; R668-H672 WeakPolarHBondContact O-CB 3.19Å; R668-H672 PolarHBondContact O-N 3.45Å
669	P	81.8	Confident	83.9	Confident	73 Å²	73	80.6 Å²	80.6	47%	0.474	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.5	-177.1	-28.1	34.2	0	0	0	114.2	N628 Y667	N628-P669 WeakPolarHBondContact ND2-CB 3.38Å; Y667-P669 HydrophobicContact CD1-CG 4.48Å; Y667-P669 HydrophobicContact CE1-CB 4.39Å; Y667-P669 HydrophobicContact CE1-CG 3.95Å
670	D	84.3	Confident	84.7	Confident	151 Å²	151	79.3 Å²	79.3	81%	0.807	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.7	-177.1	-56	-39.2	0	0	0	113.9	R668 L697	R668-D670 PolarHBondContact O-N 3.22Å; R668-D670 VanDerWaalsContact O-N 3.11Å; D670-L697 WeakPolarHBondContact O-CD1 3.15Å
671	E	87.9	Confident	85.7	Confident	90 Å²	90	72.4 Å²	72.4	42%	0.421	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-24.5	-175.7	-62.7	175.3	-155.9	0	0	112.4	R668 P696 L697	R668-E671 HydrophobicContact CB-CB 4Å; R668-E671 HydrophobicContact CB-CG 4.33Å; R668-E671 VanDerWaalsContact CD-CD 3.45Å; R668-E671 WeakPolarHBondContact CD-OE1 3.38Å; R668-E671 VanDerWaalsContact CD-OE2 3.28Å; R668-E671 WeakPolarHBondContact CD-OE2 3.33Å; R668-E671 IonicContact CZ-OE1 3.93Å; R668-E671 IonicContact CZ-OE2 3.96Å; R668-E671 IonicContact NH1-OE1 2.92Å; R668-E671 PolarHBondContact NH1-OE1 3.23Å; R668-E671 IonicContact NH1-OE2 3.18Å; R668-E671 PolarHBondContact NH1-OE2 3.48Å; R668-E671 PolarHBondContact O-N 3.17Å; E671-P696 CarbonylContact O-C 3.52Å; E671-P696 VanDerWaalsContact O-CA 3.29Å; E671-P696 WeakPolarHBondContact O-CA 3.31Å; E671-L697 PolarHBondContact O-N 2.93Å
672	H	90.6	Very high	86.5	Confident	34 Å²	34	72.2 Å²	72.2	16%	0.157	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.7	-168.4	-55.5	159.6	0	0	0	112.8	P666 Y667 R668 I694 M695	P666-H672 PolarHBondContact O-CE1 3.2Å; P666-H672 PolarHBondContact O-ND1 3.42Å; P666-H672 VanDerWaalsContact O-ND1 3.12Å; Y667-H672 HydrophobicContact CD2-CB 3.69Å; Y667-H672 HydrophobicContact CE2-CB 3.75Å; Y667-H672 VanDerWaalsContact CE2-O 3.28Å; Y667-H672 WeakPolarHBondContact CE2-O 3.33Å; Y667-H672 PolarHBondContact OH-O 3.1Å; R668-H672 PolarHBondContact N-ND1 3.25Å; R668-H672 VanDerWaalsContact N-ND1 3.18Å; R668-H672 WeakPolarHBondContact O-CB 3.19Å; R668-H672 PolarHBondContact O-N 3.45Å; H672-I694 HydrophobicContact CB-CG2 3.73Å; H672-M695 CarbonylContact C-O 2.99Å; H672-M695 VanDerWaalsContact CA-O 3.26Å; H672-M695 WeakPolarHBondContact CA-O 3.44Å
673	V	88.4	Confident	87.3	Confident	52 Å²	52	77.8 Å²	77.8	32%	0.315	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.6	171.3	61.4	0	0	0	0	110.4	V675 I694 M695 L697	V673-V675 HydrophobicContact CG1-CG2 4.09Å; V673-V675 HydrophobicContact CG2-CG2 4.34Å; V673-I694 WeakPolarHBondContact O-CA 3.33Å; V673-M695 HydrophobicContact CG1-CG 3.36Å; V673-M695 HydrophobicContact CG1-SD 4.08Å; V673-M695 PolarHBondContact N-O 2.82Å; V673-M695 PolarHBondContact O-N 2.98Å; V673-L697 HydrophobicContact CB-CD2 3.86Å; V673-L697 HydrophobicContact CG1-CD2 4.13Å
674	L	88.6	Confident	87.6	Confident	24 Å²	24	79 Å²	79	13%	0.126	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.6	171.7	178.3	68.5	0	0	0	108.9	W616 F651 F676 H692 I694	W616-L674 HydrophobicContact CD2-CD2 3.92Å; W616-L674 HydrophobicContact CE3-CD2 4.26Å; W616-L674 HydrophobicContact CG-CD2 4.44Å; W616-L674 HydrophobicContact CH2-CB 3.96Å; W616-L674 HydrophobicContact CH2-CD2 4.1Å; W616-L674 HydrophobicContact CZ2-CB 4.27Å; W616-L674 HydrophobicContact CZ2-CD2 3.76Å; W616-L674 HydrophobicContact CZ2-CG 4.47Å; W616-L674 HydrophobicContact CZ3-CB 4.38Å; W616-L674 HydrophobicContact CZ3-CD2 4.34Å; F651-L674 HydrophobicContact CE1-CD2 4.44Å; L674-F676 HydrophobicContact CD2-CE2 3.75Å; L674-F676 HydrophobicContact CD2-CZ 3.71Å; L674-F676 HydrophobicContact CG-CE2 4.02Å; L674-F676 HydrophobicContact CG-CZ 4.28Å; L674-H692 HydrophobicContact CD1-CB 4.03Å; L674-I694 HydrophobicContact CD1-CG1 4.06Å
675	V	88.3	Confident	87.8	Confident	42 Å²	42	85.7 Å²	85.7	26%	0.255	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.4	-178.9	-178	0	0	0	0	109.6	V673 L677 H692 I693 M695	V673-V675 HydrophobicContact CG1-CG2 4.09Å; V673-V675 HydrophobicContact CG2-CG2 4.34Å; V675-L677 HydrophobicContact CG1-CD2 4.2Å; V675-H692 CarbonylContact O-C 3.58Å; V675-H692 VanDerWaalsContact O-CA 3.23Å; V675-H692 WeakPolarHBondContact O-CA 3.37Å; V675-I693 HydrophobicContact CB-CG1 4.12Å; V675-I693 PolarHBondContact N-O 2.84Å; V675-I693 PolarHBondContact O-N 3.36Å; V675-M695 HydrophobicContact CB-SD 4.48Å; V675-M695 HydrophobicContact CG2-CG 4.04Å; V675-M695 HydrophobicContact CG2-SD 3.57Å; V675-M695 VanDerWaalsContact CG2-SD 3.57Å
676	F	89.3	Confident	88	Confident	46 Å²	46	85.3 Å²	85.3	20%	0.202	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.4	173.4	-65.3	-92.3	0	0	0	109.8	F565 L573 P626 F651 L674 Y689 H692	F565-F676 HydrophobicContact CD2-CD1 4.42Å; F565-F676 HydrophobicContact CD2-CE1 4.28Å; F565-F676 HydrophobicContact CE2-CD1 4.31Å; F565-F676 AromaticContact CE2-CE1 3.76Å; F565-F676 HydrophobicContact CE2-CE1 3.76Å; L573-F676 HydrophobicContact CD1-CD1 3.92Å; L573-F676 HydrophobicContact CD1-CD2 3.93Å; L573-F676 HydrophobicContact CD1-CE1 4.07Å; L573-F676 HydrophobicContact CD1-CE2 4.07Å; L573-F676 HydrophobicContact CD1-CG 3.86Å; L573-F676 HydrophobicContact CD1-CZ 4.15Å; L573-F676 HydrophobicContact CD2-CB 3.72Å; L573-F676 HydrophobicContact CD2-CD1 3.88Å; L573-F676 HydrophobicContact CD2-CG 3.82Å; L573-F676 HydrophobicContact CG-CG 4.48Å; P626-F676 HydrophobicContact CB-CE2 4.29Å; P626-F676 HydrophobicContact CB-CZ 4.27Å; P626-F676 HydrophobicContact CG-CE2 3.95Å; P626-F676 HydrophobicContact CG-CZ 3.72Å; F651-F676 HydrophobicContact CD1-CE1 4.46Å; F651-F676 AromaticContact CD1-CZ 3.98Å; F651-F676 HydrophobicContact CD1-CZ 3.98Å; F651-F676 AromaticContact CE1-CE1 3.9Å; F651-F676 HydrophobicContact CE1-CE1 3.9Å; F651-F676 AromaticContact CE1-CZ 3.69Å; F651-F676 HydrophobicContact CE1-CZ 3.69Å; F651-F676 HydrophobicContact CZ-CE1 4.06Å; F651-F676 HydrophobicContact CZ-CZ 4.32Å; L674-F676 HydrophobicContact CD2-CE2 3.75Å; L674-F676 HydrophobicContact CD2-CZ 3.71Å; L674-F676 HydrophobicContact CG-CE2 4.02Å; L674-F676 HydrophobicContact CG-CZ 4.28Å; F676-Y689 HydrophobicContact CB-CE2 4.44Å; F676-Y689 AromaticContact CD1-CE2 3.97Å; F676-Y689 HydrophobicContact CD1-CE2 3.97Å; F676-H692 HydrophobicContact CD1-CB 3.77Å; F676-H692 HydrophobicContact CE1-CB 3.89Å; F676-H692 HydrophobicContact CG-CB 4.34Å
677	L	89.2	Confident	88.1	Confident	27 Å²	27	81.7 Å²	81.7	14%	0.141	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.9	-174.6	-60.7	172.4	0	0	0	110.1	V675 Y689 S690 G691 I693 L708	V675-L677 HydrophobicContact CG1-CD2 4.2Å; L677-Y689 WeakPolarHBondContact O-CD2 3.24Å; L677-S690 PolarHBondContact O-N 3.35Å; L677-G691 PolarHBondContact N-O 3.44Å; L677-I693 HydrophobicContact CD1-CD1 4.06Å; L677-I693 HydrophobicContact CD1-CG1 4.15Å; L677-I693 HydrophobicContact CD1-CG2 4.08Å; L677-I693 HydrophobicContact CG-CG1 4.47Å; L677-L708 HydrophobicContact CD1-CD2 3.85Å; L677-L708 HydrophobicContact CD2-CD2 3.78Å; L677-L708 HydrophobicContact CG-CD2 4.33Å
678	K	88.1	Confident	88.1	Confident	70 Å²	70	84.5 Å²	84.5	30%	0.304	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.8	172	-73.6	-169.5	176	-157.9	0	109.4	G570 E572 T687 M688	G570-K678 PolarHBondContact O-NZ 3.49Å; E572-K678 WeakPolarHBondContact O-CE 3.35Å; E572-K678 PolarHBondContact O-NZ 2.73Å; K678-T687 HydrophobicContact CB-CG2 3.74Å; K678-T687 HydrophobicContact CD-CG2 3.75Å; K678-T687 HydrophobicContact CG-CG2 4.17Å; K678-M688 CarbonylContact C-O 3.57Å; K678-M688 VanDerWaalsContact CA-O 3.31Å; K678-M688 WeakPolarHBondContact CA-O 3.5Å
679	Y	87.9	Confident	88.3	Confident	113 Å²	113	79.5 Å²	79.5	44%	0.443	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.6	172	174.2	-106.6	0	0	0	109.7	D681 T687 M688 S690	Y679-D681 HydrophobicContact CE1-CB 3.89Å; Y679-T687 CarbonylContact O-C 3.59Å; Y679-T687 WeakPolarHBondContact O-CA 3.3Å; Y679-M688 PolarHBondContact N-O 3.33Å; Y679-M688 PolarHBondContact O-N 3.3Å; Y679-S690 WeakPolarHBondContact CB-OG 3.02Å
680	F	89.7	Confident	88.5	Confident	112 Å²	112	77.8 Å²	77.8	49%	0.491	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.5	173.6	177.2	-108.6	0	0	0	109.2	P682	F680-P682 HydrophobicContact CD1-CB 4.41Å; F680-P682 HydrophobicContact CE1-CB 4.02Å; F680-P682 WeakPolarHBondContact O-CD 3.46Å
681	D	88.7	Confident	88.6	Confident	30 Å²	30	71.7 Å²	71.7	16%	0.16	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.2	171.3	-172.6	-27.8	0	0	0	109.3	Y679 R683 L684 Q685 V686	Y679-D681 HydrophobicContact CE1-CB 3.89Å; D681-R683 PolarHBondContact O-N 2.92Å; D681-R683 WeakPolarHBondContact OD1-CA 3.09Å; D681-R683 VanDerWaalsContact OD1-CB 3.28Å; D681-R683 WeakPolarHBondContact OD1-CB 3.29Å; D681-R683 PolarHBondContact OD1-N 3.49Å; D681-L684 HydrophobicContact CB-CB 4.24Å; D681-L684 PolarHBondContact O-N 2.67Å; D681-L684 PolarHBondContact OD1-N 3.04Å; D681-Q685 WeakPolarHBondContact O-CA 3.4Å; D681-Q685 PolarHBondContact O-N 3.22Å; D681-V686 HydrophobicContact CB-CG2 4.29Å; D681-V686 PolarHBondContact N-O 3Å; D681-V686 PolarHBondContact O-N 2.97Å
682	P	90.2	Very high	88.6	Confident	87 Å²	87	69.5 Å²	69.5	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.4	-178.4	28.6	-35.8	0	0	0	113.6	F680	F680-P682 HydrophobicContact CD1-CB 4.41Å; F680-P682 HydrophobicContact CE1-CB 4.02Å; F680-P682 WeakPolarHBondContact O-CD 3.46Å
683	R	90.8	Very high	88.5	Confident	230 Å²	230	69.6 Å²	69.6	87%	0.868	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-42.3	179.3	-58.4	178.1	-179.1	172.8	2.4	111.2	D681	D681-R683 PolarHBondContact O-N 2.92Å; D681-R683 WeakPolarHBondContact OD1-CA 3.09Å; D681-R683 VanDerWaalsContact OD1-CB 3.28Å; D681-R683 WeakPolarHBondContact OD1-CB 3.29Å; D681-R683 PolarHBondContact OD1-N 3.49Å
684	L	90.1	Very high	88.5	Confident	119 Å²	119	69 Å²	69	62%	0.623	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.2	179.5	-65.7	179.6	0	0	0	112.4	D681 V686	D681-L684 HydrophobicContact CB-CB 4.24Å; D681-L684 PolarHBondContact O-N 2.67Å; D681-L684 PolarHBondContact OD1-N 3.04Å; L684-V686 HydrophobicContact CB-CG1 4.35Å; L684-V686 HydrophobicContact CB-CG2 3.67Å; L684-V686 HydrophobicContact CD1-CG2 4.28Å; L684-V686 PolarHBondContact O-N 3.08Å
685	Q	89.7	Confident	88.4	Confident	159 Å²	159	69.1 Å²	69.1	74%	0.743	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	37	-172.4	-56.4	-167.9	-53.3	0	0	112.4	D681	D681-Q685 WeakPolarHBondContact O-CA 3.4Å; D681-Q685 PolarHBondContact O-N 3.22Å
686	V	88.7	Confident	88.4	Confident	47 Å²	47	69.6 Å²	69.6	29%	0.285	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.2	178.2	-59.9	0	0	0	0	110.5	Q569 D681 L684 M688	Q569-V686 VanDerWaalsContact OE1-CA 3.27Å; D681-V686 HydrophobicContact CB-CG2 4.29Å; D681-V686 PolarHBondContact N-O 3Å; D681-V686 PolarHBondContact O-N 2.97Å; L684-V686 HydrophobicContact CB-CG1 4.35Å; L684-V686 HydrophobicContact CB-CG2 3.67Å; L684-V686 HydrophobicContact CD1-CG2 4.28Å; L684-V686 PolarHBondContact O-N 3.08Å; V686-M688 HydrophobicContact CG2-CG 4.45Å
687	T	86.8	Confident	88.3	Confident	26 Å²	26	72.5 Å²	72.5	16%	0.16	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.7	169.9	-50.4	0	0	0	0	108.8	Q569 K678 Y679	Q569-T687 PolarHBondContact NE2-O 3.29Å; Q569-T687 PolarHBondContact OE1-O 2.91Å; K678-T687 HydrophobicContact CB-CG2 3.74Å; K678-T687 HydrophobicContact CD-CG2 3.75Å; K678-T687 HydrophobicContact CG-CG2 4.17Å; Y679-T687 CarbonylContact O-C 3.59Å; Y679-T687 WeakPolarHBondContact O-CA 3.3Å
688	M	86.9	Confident	88.2	Confident	103 Å²	103	78.1 Å²	78.1	51%	0.507	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.1	178	-63.2	-179.5	65.2	0	0	108.9	K678 Y679 V686	K678-M688 CarbonylContact C-O 3.57Å; K678-M688 VanDerWaalsContact CA-O 3.31Å; K678-M688 WeakPolarHBondContact CA-O 3.5Å; Y679-M688 PolarHBondContact N-O 3.33Å; Y679-M688 PolarHBondContact O-N 3.3Å; V686-M688 HydrophobicContact CG2-CG 4.45Å
689	Y	88.2	Confident	88.1	Confident	34 Å²	34	75.7 Å²	75.7	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.5	171.9	178.3	-118	0	0	0	109.4	F565 E566 F676 L677 G691 H692	F565-Y689 HydrophobicContact CB-CD1 4Å; F565-Y689 HydrophobicContact CB-CD2 4.14Å; F565-Y689 HydrophobicContact CB-CE1 4.17Å; F565-Y689 HydrophobicContact CB-CE2 4.31Å; F565-Y689 HydrophobicContact CB-CG 3.98Å; F565-Y689 HydrophobicContact CD2-CE1 4.25Å; F565-Y689 HydrophobicContact CD2-CE2 4.2Å; F565-Y689 AromaticContact CD2-CZ 3.86Å; E566-Y689 HydrophobicContact CG-CD1 4.24Å; F676-Y689 HydrophobicContact CB-CE2 4.44Å; F676-Y689 AromaticContact CD1-CE2 3.97Å; F676-Y689 HydrophobicContact CD1-CE2 3.97Å; L677-Y689 WeakPolarHBondContact O-CD2 3.24Å; Y689-G691 VanDerWaalsContact CE2-O 3.29Å; Y689-G691 WeakPolarHBondContact CE2-O 3.19Å; Y689-G691 VanDerWaalsContact CZ-C 3.43Å; Y689-G691 PolarHBondContact OH-O 3.18Å; Y689-H692 PolarHBondContact OH-N 3.12Å; Y689-H692 PolarHBondContact OH-ND1 2.79Å
690	S	85.5	Confident	87.9	Confident	38 Å²	38	73.1 Å²	73.1	27%	0.266	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	21.6	-177.3	-60.9	0	0	0	0	112.2	L677 Y679	L677-S690 PolarHBondContact O-N 3.35Å; Y679-S690 WeakPolarHBondContact CB-OG 3.02Å
691	G	87.3	Confident	87.5	Confident	22 Å²	22	74.4 Å²	74.4	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-168.6	-179.3	0	0	0	0	0	114.4	L677 Y689	L677-G691 PolarHBondContact N-O 3.44Å; Y689-G691 VanDerWaalsContact CE2-O 3.29Å; Y689-G691 WeakPolarHBondContact CE2-O 3.19Å; Y689-G691 VanDerWaalsContact CZ-C 3.43Å; Y689-G691 PolarHBondContact OH-O 3.18Å
692	H	88.5	Confident	87.2	Confident	44 Å²	44	75.3 Å²	75.3	20%	0.204	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.2	177.8	64.5	-88.8	0	0	0	110.7	E653 L674 V675 F676 Y689	E653-H692 IonicContact OE1-CD2 3.35Å; E653-H692 IonicContact OE1-NE2 3.8Å; E653-H692 PolarHBondContact OE1-NE2 3.42Å; L674-H692 HydrophobicContact CD1-CB 4.03Å; V675-H692 CarbonylContact O-C 3.58Å; V675-H692 VanDerWaalsContact O-CA 3.23Å; V675-H692 WeakPolarHBondContact O-CA 3.37Å; F676-H692 HydrophobicContact CD1-CB 3.77Å; F676-H692 HydrophobicContact CE1-CB 3.89Å; F676-H692 HydrophobicContact CG-CB 4.34Å; Y689-H692 PolarHBondContact OH-N 3.12Å; Y689-H692 PolarHBondContact OH-ND1 2.79Å
693	I	87.8	Confident	86.7	Confident	36 Å²	36	76.4 Å²	76.4	19%	0.185	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.3	-179.2	57.8	169.1	0	0	0	110.9	V675 L677 L704	V675-I693 HydrophobicContact CB-CG1 4.12Å; V675-I693 PolarHBondContact N-O 2.84Å; V675-I693 PolarHBondContact O-N 3.36Å; L677-I693 HydrophobicContact CD1-CD1 4.06Å; L677-I693 HydrophobicContact CD1-CG1 4.15Å; L677-I693 HydrophobicContact CD1-CG2 4.08Å; L677-I693 HydrophobicContact CG-CG1 4.47Å; I693-L704 HydrophobicContact CD1-CD2 3.29Å
694	I	87.7	Confident	86	Confident	39 Å²	39	66.6 Å²	66.6	20%	0.2	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	170.1	-59.1	-175.2	0	0	0	107.8	R614 P665 Y667 H672 V673 L674	R614-I694 VanDerWaalsContact NH1-CD1 3.29Å; P665-I694 HydrophobicContact CG-CD1 3.98Å; Y667-I694 HydrophobicContact CD2-CD1 4.19Å; Y667-I694 HydrophobicContact CD2-CG2 3.9Å; H672-I694 HydrophobicContact CB-CG2 3.73Å; V673-I694 WeakPolarHBondContact O-CA 3.33Å; L674-I694 HydrophobicContact CD1-CG1 4.06Å
695	M	87.1	Confident	85.3	Confident	27 Å²	27	64.4 Å²	64.4	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.8	-179.8	66.3	-176.9	-61.7	0	0	111.7	H672 V673 V675 A699 L704	H672-M695 CarbonylContact C-O 2.99Å; H672-M695 VanDerWaalsContact CA-O 3.26Å; H672-M695 WeakPolarHBondContact CA-O 3.44Å; V673-M695 HydrophobicContact CG1-CG 3.36Å; V673-M695 HydrophobicContact CG1-SD 4.08Å; V673-M695 PolarHBondContact N-O 2.82Å; V673-M695 PolarHBondContact O-N 2.98Å; V675-M695 HydrophobicContact CB-SD 4.48Å; V675-M695 HydrophobicContact CG2-CG 4.04Å; V675-M695 HydrophobicContact CG2-SD 3.57Å; V675-M695 VanDerWaalsContact CG2-SD 3.57Å; M695-A699 HydrophobicContact CE-CB 3.82Å; M695-L704 HydrophobicContact CE-CD1 4.07Å; M695-L704 HydrophobicContact CE-CD2 4.05Å; M695-L704 HydrophobicContact CE-CG 4.16Å; M695-L704 HydrophobicContact SD-CD1 4.31Å; M695-L704 HydrophobicContact SD-CD2 4.1Å
696	P	88.2	Confident	84.7	Confident	53 Å²	53	60.5 Å²	60.5	34%	0.344	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	141.5	168.7	-23.5	34.1	0	0	0	112	E671 N698 A699	E671-P696 CarbonylContact O-C 3.52Å; E671-P696 VanDerWaalsContact O-CA 3.29Å; E671-P696 WeakPolarHBondContact O-CA 3.31Å; P696-N698 WeakPolarHBondContact CB-OD1 3.07Å; P696-N698 PolarHBondContact O-N 3.11Å; P696-N698 VanDerWaalsContact O-N 3.14Å; P696-A699 HydrophobicContact CB-CB 4.21Å; P696-A699 HydrophobicContact CG-CB 4.46Å; P696-A699 VanDerWaalsContact O-CB 3.26Å; P696-A699 WeakPolarHBondContact O-CB 3.18Å; P696-A699 PolarHBondContact O-N 3.06Å
697	L	87.2	Confident	83.9	Confident	107 Å²	107	63.1 Å²	63.1	56%	0.56	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.9	178	-73.2	170.7	0	0	0	112.9	D670 E671 V673	D670-L697 WeakPolarHBondContact O-CD1 3.15Å; E671-L697 PolarHBondContact O-N 2.93Å; V673-L697 HydrophobicContact CB-CD2 3.86Å; V673-L697 HydrophobicContact CG1-CD2 4.13Å
698	N	87.9	Confident	83.3	Confident	145 Å²	145	65.9 Å²	65.9	78%	0.775	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-1	177.3	65.1	-20.5	0	0	0	113.9	P696	P696-N698 WeakPolarHBondContact CB-OD1 3.07Å; P696-N698 PolarHBondContact O-N 3.11Å; P696-N698 VanDerWaalsContact O-N 3.14Å
699	A	84.9	Confident	82.1	Confident	19 Å²	19	66.4 Å²	66.4	16%	0.157	39%	0.386	C	S	.	.			trans	-67.1	134.3	179.5	0	0	0	0	0	110.5	M695 P696 E703	M695-A699 HydrophobicContact CE-CB 3.82Å; P696-A699 HydrophobicContact CB-CB 4.21Å; P696-A699 HydrophobicContact CG-CB 4.46Å; P696-A699 VanDerWaalsContact O-CB 3.26Å; P696-A699 WeakPolarHBondContact O-CB 3.18Å; P696-A699 PolarHBondContact O-N 3.06Å; A699-E703 WeakPolarHBondContact CB-OE2 3.19Å
700	S	84.6	Confident	80.3	Confident	59 Å²	59	71.7 Å²	71.7	41%	0.413	42%	0.416	S	S	.	.			trans	-74.1	150.2	175.3	67.4	0	0	0	0	110.7	G702 E703	S700-G702 PolarHBondContact O-N 2.88Å; S700-G702 VanDerWaalsContact O-N 3.09Å; S700-E703 PolarHBondContact N-OE1 3.5Å; S700-E703 WeakPolarHBondContact O-CB 3.24Å; S700-E703 PolarHBondContact O-N 3.33Å; S700-E703 PolarHBondContact OG-OE1 3.24Å
701	I	81.5	Confident	78.2	Confident	138 Å²	138	75.4 Å²	75.4	71%	0.708	44%	0.442	S	S	*	.	H	α-helix	trans	-57.1	-27.6	173.3	-65	174.2	0	0	0	111.1	E703 L704	I701-E703 PolarHBondContact O-N 2.91Å; I701-L704 HydrophobicContact CG2-CD1 4.5Å; I701-L704 VanDerWaalsContact O-CB 3.29Å; I701-L704 WeakPolarHBondContact O-CB 3.44Å; I701-L704 PolarHBondContact O-N 3.46Å
702	G	82.2	Confident	77.8	Confident	49 Å²	49	78.1 Å²	78.1	51%	0.505	45%	0.452	S	S	.	.	H	α-helix	trans	-61.6	-28	175	0	0	0	0	0	113.9	S700 L704 C705	S700-G702 PolarHBondContact O-N 2.88Å; S700-G702 VanDerWaalsContact O-N 3.09Å; G702-L704 PolarHBondContact O-N 3.34Å; G702-C705 PolarHBondContact O-N 3.47Å
703	E	79.3	Confident	77.2	Confident	110 Å²	110	79.9 Å²	79.9	51%	0.514	47%	0.466	S	S	.	.	H	α-helix	trans	-73.1	-18	175.1	-69.9	157.9	-124.2	0	0	112.7	A699 S700 I701 P706	A699-E703 WeakPolarHBondContact CB-OE2 3.19Å; S700-E703 PolarHBondContact N-OE1 3.5Å; S700-E703 WeakPolarHBondContact O-CB 3.24Å; S700-E703 PolarHBondContact O-N 3.33Å; S700-E703 PolarHBondContact OG-OE1 3.24Å; I701-E703 PolarHBondContact O-N 2.91Å; E703-P706 WeakPolarHBondContact O-CD 3.28Å
704	L	76	Confident	76.6	Confident	24 Å²	24	82.3 Å²	82.3	13%	0.126	48%	0.481	C	S	.	.	H	α-helix	trans	-78	-29.2	174	-63.1	172.5	0	0	0	112.1	I693 M695 I701 G702 P706 L707 L708	I693-L704 HydrophobicContact CD1-CD2 3.29Å; M695-L704 HydrophobicContact CE-CD1 4.07Å; M695-L704 HydrophobicContact CE-CD2 4.05Å; M695-L704 HydrophobicContact CE-CG 4.16Å; M695-L704 HydrophobicContact SD-CD1 4.31Å; M695-L704 HydrophobicContact SD-CD2 4.1Å; I701-L704 HydrophobicContact CG2-CD1 4.5Å; I701-L704 VanDerWaalsContact O-CB 3.29Å; I701-L704 WeakPolarHBondContact O-CB 3.44Å; I701-L704 PolarHBondContact O-N 3.46Å; G702-L704 PolarHBondContact O-N 3.34Å; L704-P706 VanDerWaalsContact C-CD 3.46Å; L704-L707 WeakPolarHBondContact O-CB 3.26Å; L704-L707 PolarHBondContact O-N 2.92Å; L704-L708 HydrophobicContact CB-CD1 4.1Å; L704-L708 HydrophobicContact CB-CG 4.43Å; L704-L708 WeakPolarHBondContact O-CG 3.33Å; L704-L708 PolarHBondContact O-N 3.18Å
705	C	76.3	Confident	76	Confident	73 Å²	73	84.9 Å²	84.9	49%	0.493	50%	0.498	S	S	.	.	H	α-helix	trans	-50.7	-46.5	-173.2	-69.2	0	0	0	0	113.6	G702 L707 L708 T709	G702-C705 PolarHBondContact O-N 3.47Å; C705-L707 VanDerWaalsContact C-N 3.32Å; C705-L707 PolarHBondContact O-N 3.3Å; C705-L708 PolarHBondContact O-N 3.08Å; C705-T709 PolarHBondContact O-N 2.73Å; C705-T709 PolarHBondContact O-OG1 3.33Å
706	P	76.2	Confident	75.3	Confident	77 Å²	77	88.5 Å²	88.5	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-39.1	178.4	-22.1	33.8	0	0	0	113.3	E703 L704 T709 I710	E703-P706 WeakPolarHBondContact O-CD 3.28Å; L704-P706 VanDerWaalsContact C-CD 3.46Å; P706-T709 WeakPolarHBondContact CA-OG1 3.35Å; P706-T709 PolarHBondContact O-N 2.82Å; P706-T709 PolarHBondContact O-OG1 3.04Å; P706-I710 WeakPolarHBondContact O-CD1 3.46Å; P706-I710 WeakPolarHBondContact O-CG1 3.32Å
707	L	72.3	Confident	74.4	Confident	103 Å²	103	90.9 Å²	90.9	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-34.1	-179.5	-62.7	171.3	0	0	0	111.6	L704 C705 T709	L704-L707 WeakPolarHBondContact O-CB 3.26Å; L704-L707 PolarHBondContact O-N 2.92Å; C705-L707 VanDerWaalsContact C-N 3.32Å; C705-L707 PolarHBondContact O-N 3.3Å; L707-T709 VanDerWaalsContact C-N 3.34Å
708	L	73.2	Confident	73.5	Confident	83 Å²	83	89.7 Å²	89.7	44%	0.435	53%	0.53	S	S	.	.	H	α-helix	trans	-74.3	-22.9	178.1	-63	173.9	0	0	0	113.2	L677 L704 C705 I710	L677-L708 HydrophobicContact CD1-CD2 3.85Å; L677-L708 HydrophobicContact CD2-CD2 3.78Å; L677-L708 HydrophobicContact CG-CD2 4.33Å; L704-L708 HydrophobicContact CB-CD1 4.1Å; L704-L708 HydrophobicContact CB-CG 4.43Å; L704-L708 WeakPolarHBondContact O-CG 3.33Å; L704-L708 PolarHBondContact O-N 3.18Å; C705-L708 PolarHBondContact O-N 3.08Å; L708-I710 VanDerWaalsContact C-N 3.3Å; L708-I710 PolarHBondContact O-N 2.71Å
709	T	63.6	Low	72.4	Confident	114 Å²	114	85.5 Å²	85.5	70%	0.699	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-5	178.7	17.8	0	0	0	0	114.8	C705 P706 L707	C705-T709 PolarHBondContact O-N 2.73Å; C705-T709 PolarHBondContact O-OG1 3.33Å; P706-T709 WeakPolarHBondContact CA-OG1 3.35Å; P706-T709 PolarHBondContact O-N 2.82Å; P706-T709 PolarHBondContact O-OG1 3.04Å; L707-T709 VanDerWaalsContact C-N 3.34Å
710	I	50.5	Low	71.4	Confident	146 Å²	146	91 Å²	91	75%	0.749	54%	0.541	S	S	*	.			trans	-106.2	-4.8	-168.7	-64.4	173.3	0	0	0	113.8	P706 L708	P706-I710 WeakPolarHBondContact O-CD1 3.46Å; P706-I710 WeakPolarHBondContact O-CG1 3.32Å; L708-I710 VanDerWaalsContact C-N 3.3Å; L708-I710 PolarHBondContact O-N 2.71Å
711	S	41.1	Very low	70.2	Confident	116 Å²	116	93.9 Å²	93.9	81%	0.811	55%	0.553	S	S	*	*			trans	-102	0	167.8	72.7	0	0	0	0	111.1

Retrieved 711 of 711 residues in 381.1 ms (Link to these results)

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