A0A077Z0I3_TRITR Loading...

alpha-glucosidase

AlphaFold DB , UniProt , Accession A0A077Z0I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	35.4	Very low	249 Å²	249	164.5 Å²	164.5	100%	1.227	87%	0.871	S	S	*	*				0	113	0	-99.5	171.4	172.5	0	0	107.2
2	K	34.3	Very low	35.3	Very low	211 Å²	211	164.3 Å²	164.3	92%	0.917	87%	0.87	S	S	*	*			trans	33.5	103.6	172.3	-73.6	-178.9	173.4	-179.2	0	119.1
3	E	30	Very low	35.2	Very low	194 Å²	194	165.8 Å²	165.8	91%	0.907	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-69.9	146.6	155.4	-70	175.4	151.8	0	0	111.2
4	P	50.8	Low	35.1	Very low	118 Å²	118	163.1 Å²	163.1	77%	0.766	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-102	159.4	158.2	35	-24.7	0	0	0	112
5	P	40.7	Very low	35.2	Very low	126 Å²	126	157.7 Å²	157.7	82%	0.818	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-85.1	151.6	-160.7	34.2	-33.9	0	0	0	113.9
6	S	33.3	Very low	35.3	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.4	170.7	54.9	0	0	0	0	112.8
7	E	36.4	Very low	35.2	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	85%	0.851	S	S	*	*			trans	-130.3	105.6	159.8	-156.4	169.5	-157.7	0	0	109.1
8	F	31.9	Very low	35.2	Very low	202 Å²	202	153.8 Å²	153.8	89%	0.886	85%	0.849	S	S	*	*			trans	-90.7	121.6	172.9	-105.7	-95.3	0	0	0	108.4
9	V	37	Very low	35.3	Very low	122 Å²	122	151.6 Å²	151.6	74%	0.739	85%	0.846	S	S	*	*			trans	-104.9	120.5	165	178.3	0	0	0	0	108
10	P	33.2	Very low	35.2	Very low	117 Å²	117	147.9 Å²	147.9	76%	0.76	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-86.9	122.3	174.6	31.1	-26.8	0	0	0	110.4
11	L	32.4	Very low	35.2	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-81.7	120.1	162.7	-97.2	160.2	0	0	0	109.2
12	N	34	Very low	35.3	Very low	161 Å²	161	145 Å²	145	86%	0.861	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-62	129.3	-174.6	-139.2	0.5	0	0	0	111.8
13	Q	34.3	Very low	35.3	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-78.6	126.3	167.5	-71.9	177.5	-1.4	0	0	109.5
14	S	33.3	Very low	35.6	Very low	128 Å²	128	141 Å²	141	90%	0.895	82%	0.82	S	S	*	*			trans	-99.2	105.3	158.7	141.1	0	0	0	0	107
15	A	37.1	Very low	34.9	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	82%	0.822	S	S	*	*			trans	-127.9	130.1	167	0	0	0	0	0	109.5
16	A	36.1	Very low	34.8	Very low	89 Å²	89	144.6 Å²	144.6	74%	0.736	82%	0.824	S	S	*	*			trans	60.7	109.4	147.3	0	0	0	0	0	119.3
17	N	34.1	Very low	35.1	Very low	160 Å²	160	148 Å²	148	86%	0.856	83%	0.828	S	S	*	*				-153.1	135.9	124.3	-81.9	-26.6	0	0	0	103.5
18	D	34.8	Very low	35.1	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	82%	0.823	S	S	*	*				-171.5	140.8	53	-147.8	-11.8	0	0	0	108.8
19	S	38	Very low	35.4	Very low	113 Å²	113	143.5 Å²	143.5	79%	0.79	83%	0.826	S	S	*	*			trans	-109.9	121.6	176.8	54.1	0	0	0	0	109.9
20	G	31.7	Very low	35.4	Very low	77 Å²	77	141.6 Å²	141.6	79%	0.794	83%	0.831	S	S	*	*			trans	76.2	94.2	146.7	0	0	0	0	0	118
21	V	35.7	Very low	35.5	Very low	146 Å²	146	140.7 Å²	140.7	89%	0.885	83%	0.833	S	S	*	*			trans	-132.7	112	154.9	178.4	0	0	0	0	109.8
22	H	33.1	Very low	35.8	Very low	190 Å²	190	138.3 Å²	138.3	88%	0.88	83%	0.831	S	S	*	*			trans	-82.5	123.7	166.9	-102.8	-70	0	0	0	110.3
23	R	33	Very low	36.1	Very low	256 Å²	256	133.9 Å²	133.9	97%	0.966	82%	0.817	S	S	*	*			trans	174.9	142.5	141.8	-108.2	177.4	-177.9	166.3	2	112.9
24	G	36.8	Very low	36.4	Very low	64 Å²	64	132.2 Å²	132.2	66%	0.66	81%	0.814	S	S	*	*			trans	124.7	81.1	161.7	0	0	0	0	0	113.9
25	I	35.3	Very low	36.8	Very low	159 Å²	159	132.3 Å²	132.3	82%	0.815	80%	0.804	S	S	*	*				64.1	107.6	105.3	-58.6	169.2	0	0	0	113.4
26	N	40.2	Very low	37.1	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	81%	0.805	S	S	*	*			trans	-156	143.4	135.3	-114.5	-14.7	0	0	0	112.9
27	E	37.6	Very low	37.2	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	80%	0.798	S	S	*	*			trans	-76.9	163.1	-166.6	-55.4	172.6	134.4	0	0	114.3
28	G	38.3	Very low	37.9	Very low	74 Å²	74	134.9 Å²	134.9	76%	0.763	80%	0.799	S	S	*	*			trans	158.7	73	157	0	0	0	0	0	119.5
29	K	37.6	Very low	38.1	Very low	219 Å²	219	134.8 Å²	134.8	95%	0.952	79%	0.792	S	S	*	*			trans	42.1	129.7	140.9	-75	178.3	175.1	174.8	0	123.8
30	G	35.7	Very low	38.5	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	80%	0.8	S	S	*	*			trans	106.4	142.5	130.5	0	0	0	0	0	117
31	A	36.8	Very low	38.8	Very low	98 Å²	98	143 Å²	143	81%	0.81	80%	0.799	S	S	*	*			cis	-179.2	157.5	-30.8	0	0	0	0	0	106.9
32	S	38	Very low	38.9	Very low	123 Å²	123	144.3 Å²	144.3	86%	0.86	80%	0.8	S	S	*	*			trans	86	144	159.2	-156.6	0	0	0	0	118.7
33	A	39.5	Very low	39.3	Very low	69 Å²	69	141 Å²	141	57%	0.57	80%	0.799	S	S	*	*			cis	-178.7	169.6	-25.6	0	0	0	0	0	108
34	D	41.2	Very low	39.5	Very low	148 Å²	148	135 Å²	135	79%	0.791	79%	0.79	S	S	*	*			trans	84.1	142	151.4	-58.1	-14.3	0	0	0	120.8
35	D	41.9	Very low	39.7	Very low	130 Å²	130	141.4 Å²	141.4	70%	0.695	80%	0.8	S	S	*	*			cis	-175.4	172.7	-18.9	-144.8	-8.5	0	0	0	110.8
36	H	43.4	Very low	39.8	Very low	153 Å²	153	138.9 Å²	138.9	71%	0.708	79%	0.794	S	S	*	*			trans	75.9	138.3	162.1	-77.9	-67.5	0	0	0	122.2
37	E	39.4	Very low	39.7	Very low	127 Å²	127	138.7 Å²	138.7	59%	0.593	79%	0.793	S	S	*	*			cis	132.8	124.3	-4.9	-173.2	-177.5	-172.4	0	0	109.3	K39	E37-K39 IonicContact OE1-NZ 2.84Å; E37-K39 PolarHBondContact OE1-NZ 3.39Å
38	A	48.1	Very low	39.7	Very low	106 Å²	106	138.9 Å²	138.9	88%	0.876	79%	0.793	S	S	*	*			trans	-163.7	126.3	147.5	0	0	0	0	0	112.8
39	K	38.7	Very low	39.8	Very low	151 Å²	151	141.5 Å²	141.5	66%	0.657	79%	0.794	S	S	*	*			trans	-92	154.9	-176.1	-69.9	167.4	170.7	116.3	0	113	E37	E37-K39 IonicContact OE1-NZ 2.84Å; E37-K39 PolarHBondContact OE1-NZ 3.39Å
40	L	45.9	Very low	40	Very low	183 Å²	183	136.8 Å²	136.8	96%	0.958	79%	0.786	S	S	*	*				-157.8	137.6	129.3	-129.9	110	0	0	0	112.9
41	K	38.2	Very low	40.4	Very low	179 Å²	179	138.5 Å²	138.5	78%	0.778	78%	0.78	S	S	*	*			trans	-93.4	149.6	-169	-65.2	168.8	171.5	176.9	0	112.4
42	L	39	Very low	40.6	Very low	175 Å²	175	138.7 Å²	138.7	92%	0.916	78%	0.782	S	S	*	*			trans	-159.7	114.2	133.7	-145.7	69.8	0	0	0	114.3
43	S	40.4	Very low	40.9	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	78%	0.782	S	S	*	*			trans	58.5	133.3	149.7	-123.9	0	0	0	0	123.7
44	V	37.4	Very low	41.2	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	79%	0.788	S	S	*	*			trans	-99.1	138.9	-167.5	171.2	0	0	0	0	111.7
45	K	40.3	Very low	41.6	Very low	200 Å²	200	144.7 Å²	144.7	87%	0.87	79%	0.789	S	S	*	*			trans	-127.8	145.1	138.1	-91.7	-173.9	178.1	178.9	0	108.3	D47	K45-D47 PolarHBondContact O-N 2.85Å
46	P	37.8	Very low	42.1	Very low	106 Å²	106	147.6 Å²	147.6	69%	0.688	80%	0.795	S	S	*	*			trans	-94.2	98.4	-159	33.5	-25.3	0	0	0	109.6
47	D	38.2	Very low	43.1	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	80%	0.799	S	S	*	*			trans	-165.2	144.8	161.3	-82.3	-42.6	0	0	0	107.7	K45	K45-D47 PolarHBondContact O-N 2.85Å
48	E	37.2	Very low	44.7	Very low	188 Å²	188	144.4 Å²	144.4	88%	0.879	80%	0.799	S	S	*	*			trans	80.4	91.4	174.5	-56.7	-173.6	146.8	0	0	118.2	P50	E48-P50 WeakPolarHBondContact O-CD 3.46Å
49	V	42.2	Very low	46	Very low	129 Å²	129	143.8 Å²	143.8	78%	0.782	78%	0.781	S	S	*	*			trans	-89.1	108.5	150.6	178.4	0	0	0	0	107.8	V51	V49-V51 HydrophobicContact CG1-CG2 4.09Å; V49-V51 PolarHBondContact O-N 2.65Å; V49-V51 VanDerWaalsContact O-N 3.16Å
50	P	40.8	Very low	48.1	Very low	120 Å²	120	140 Å²	140	78%	0.779	77%	0.77	S	S	*	*			trans	-79.6	98.4	166.7	30.1	-27.6	0	0	0	108.3	E48 A52	E48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-A52 PolarHBondContact O-N 3.21Å; P50-A52 VanDerWaalsContact O-N 3.15Å
51	V	44.5	Very low	49.8	Very low	118 Å²	118	138.1 Å²	138.1	72%	0.715	75%	0.754	S	S	*	*			trans	-65.6	109.4	165.7	178.9	0	0	0	0	107.7	V49 R53	V49-V51 HydrophobicContact CG1-CG2 4.09Å; V49-V51 PolarHBondContact O-N 2.65Å; V49-V51 VanDerWaalsContact O-N 3.16Å; V51-R53 PolarHBondContact O-N 2.86Å
52	A	41.6	Very low	51.9	Low	101 Å²	101	135.4 Å²	135.4	84%	0.835	74%	0.744	S	S	*	*			trans	-55.6	101.8	170.4	0	0	0	0	0	109.7	P50 A54	P50-A52 PolarHBondContact O-N 3.21Å; P50-A52 VanDerWaalsContact O-N 3.15Å; A52-A54 PolarHBondContact O-N 2.87Å
53	R	44.2	Very low	53.8	Low	233 Å²	233	131.8 Å²	131.8	88%	0.879	72%	0.723	S	S	*	*			trans	-71.4	124.8	178.1	-96.9	178.5	177.4	165.7	0.8	110	V51	V51-R53 PolarHBondContact O-N 2.86Å
54	A	44.8	Very low	55.8	Low	84 Å²	84	130.6 Å²	130.6	69%	0.694	71%	0.707	S	S	*	*			trans	-49.4	133.8	165.5	0	0	0	0	0	112.2	A52 K56	A52-A54 PolarHBondContact O-N 2.87Å; A54-K56 VanDerWaalsContact C-N 3.29Å; A54-K56 PolarHBondContact O-N 3.36Å
55	N	48.9	Very low	57.8	Low	149 Å²	149	129.3 Å²	129.3	80%	0.797	69%	0.692	S	S	*	*			trans	-61.7	82.4	169.1	-78.2	-23.4	0	0	0	110.9	I57	N55-I57 HydrophobicContact CB-CD1 4.2Å; N55-I57 HydrophobicContact CB-CG1 4.34Å; N55-I57 PolarHBondContact O-N 3.44Å
56	K	53.3	Low	59.6	Low	191 Å²	191	129.7 Å²	129.7	83%	0.83	69%	0.688	S	S	*	*			trans	-81.1	86.3	164.9	-82.1	-175.4	174.9	-178.5	0	108.8	A54 G58	A54-K56 VanDerWaalsContact C-N 3.29Å; A54-K56 PolarHBondContact O-N 3.36Å; K56-G58 PolarHBondContact O-N 3.29Å
57	I	64.1	Low	61.5	Low	156 Å²	156	131.6 Å²	131.6	80%	0.8	68%	0.683	S	S	*	*			trans	-81.3	0.7	177.8	-65.2	163.9	0	0	0	112.1	N55	N55-I57 HydrophobicContact CB-CD1 4.2Å; N55-I57 HydrophobicContact CB-CG1 4.34Å; N55-I57 PolarHBondContact O-N 3.44Å
58	G	72.4	Confident	63.4	Low	57 Å²	57	125.3 Å²	125.3	59%	0.588	65%	0.652	S	S	*	*	S	Bend	trans	-107.7	131.4	176.1	0	0	0	0	0	112.9	K56	K56-G58 PolarHBondContact O-N 3.29Å
59	L	77	Confident	65.3	Low	94 Å²	94	124.4 Å²	124.4	49%	0.492	65%	0.645	S	S	.	*			trans	-70.2	138.2	165.3	-77	90.2	0	0	0	109.6	Q63 L64 Y67	L59-Q63 HydrophobicContact CB-CB 4.03Å; L59-Q63 HydrophobicContact CD2-CB 3.9Å; L59-Q63 HydrophobicContact CG-CB 4.24Å; L59-L64 HydrophobicContact CB-CB 4.22Å; L59-L64 HydrophobicContact CB-CD1 4.49Å; L59-Y67 HydrophobicContact CD2-CD2 3.98Å; L59-Y67 HydrophobicContact CD2-CE2 4.26Å
60	T	81.1	Confident	67.2	Low	70 Å²	70	121.5 Å²	121.5	43%	0.429	63%	0.626	S	S	.	*			trans	-68.1	161.3	167.7	73.1	0	0	0	0	110.2	E62 Q63 L64	T60-E62 WeakPolarHBondContact CB-OE2 3.2Å; T60-E62 PolarHBondContact O-N 2.93Å; T60-E62 VanDerWaalsContact O-N 3.15Å; T60-E62 PolarHBondContact OG1-OE2 3.41Å; T60-Q63 PolarHBondContact O-N 3.08Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.21Å; T60-L64 PolarHBondContact O-N 3.48Å
61	K	82.4	Confident	69.3	Low	144 Å²	144	119.9 Å²	119.9	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-50.9	-42.5	-178.3	179.8	-178.1	171.8	-175.4	0	111.8	L64 E65	K61-L64 PolarHBondContact O-N 3.22Å; K61-E65 WeakPolarHBondContact CE-OE1 3.24Å; K61-E65 HydrophobicContact CG-CG 4.48Å; K61-E65 WeakPolarHBondContact O-CB 3.27Å; K61-E65 WeakPolarHBondContact O-CG 3.32Å; K61-E65 PolarHBondContact O-N 3.07Å
62	E	81.5	Confident	71.3	Confident	122 Å²	122	121.4 Å²	121.4	57%	0.57	61%	0.609	S	S	*	*	H	α-helix	trans	-68.9	-35.2	-178.5	-50.8	73.2	-155.1	0	0	112	T60	T60-E62 WeakPolarHBondContact CB-OE2 3.2Å; T60-E62 PolarHBondContact O-N 2.93Å; T60-E62 VanDerWaalsContact O-N 3.15Å; T60-E62 PolarHBondContact OG1-OE2 3.41Å
63	Q	79.8	Confident	73.3	Confident	99 Å²	99	123.2 Å²	123.2	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-73.8	-38.9	176.3	-65.1	176.6	-39.8	0	0	111	L59 T60 Y67	L59-Q63 HydrophobicContact CB-CB 4.03Å; L59-Q63 HydrophobicContact CD2-CB 3.9Å; L59-Q63 HydrophobicContact CG-CB 4.24Å; T60-Q63 PolarHBondContact O-N 3.08Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.21Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.31Å
64	L	81.6	Confident	75.3	Confident	97 Å²	97	116 Å²	116	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-68.7	-42	178.3	-170.1	71.8	0	0	0	111.5	L59 T60 K61 R66 Y67 A68	L59-L64 HydrophobicContact CB-CB 4.22Å; L59-L64 HydrophobicContact CB-CD1 4.49Å; T60-L64 PolarHBondContact O-N 3.48Å; K61-L64 PolarHBondContact O-N 3.22Å; L64-R66 PolarHBondContact O-N 3.04Å; L64-R66 VanDerWaalsContact O-N 3.14Å; L64-Y67 PolarHBondContact O-N 3.08Å; L64-A68 WeakPolarHBondContact O-CB 3.24Å; L64-A68 PolarHBondContact O-N 2.86Å
65	E	80.4	Confident	77.4	Confident	100 Å²	100	121.1 Å²	121.1	47%	0.467	57%	0.574	S	S	.	*	H	α-helix	trans	-57.7	-28.4	-179.3	-83.1	-178.9	-174.8	0	0	113.5	K61	K61-E65 WeakPolarHBondContact CE-OE1 3.24Å; K61-E65 HydrophobicContact CG-CG 4.48Å; K61-E65 WeakPolarHBondContact O-CB 3.27Å; K61-E65 WeakPolarHBondContact O-CG 3.32Å; K61-E65 PolarHBondContact O-N 3.07Å
66	R	77.3	Confident	79.5	Confident	209 Å²	209	116.7 Å²	116.7	79%	0.789	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-41	174.1	-68.7	-175.7	-172.1	-179.8	1.5	112.8	L64	L64-R66 PolarHBondContact O-N 3.04Å; L64-R66 VanDerWaalsContact O-N 3.14Å
67	Y	77.9	Confident	81.2	Confident	146 Å²	146	114.7 Å²	114.7	57%	0.573	54%	0.537	S	S	*	.	H	α-helix	trans	-91.2	-23.9	-179.5	-64	-76.3	0	0	0	112.7	L59 Q63 L64 K69 D70	L59-Y67 HydrophobicContact CD2-CD2 3.98Å; L59-Y67 HydrophobicContact CD2-CE2 4.26Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.31Å; L64-Y67 PolarHBondContact O-N 3.08Å; Y67-K69 PolarHBondContact O-N 3.49Å; Y67-D70 WeakPolarHBondContact O-CB 3.4Å; Y67-D70 PolarHBondContact O-N 3.08Å; Y67-D70 VanDerWaalsContact O-N 3.08Å
68	A	77.6	Confident	82.5	Confident	25 Å²	25	112.6 Å²	112.6	21%	0.207	53%	0.526	C	S	.	.	H	α-helix	trans	-64.5	-24.1	-179.5	0	0	0	0	0	113	L64	L64-A68 WeakPolarHBondContact O-CB 3.24Å; L64-A68 PolarHBondContact O-N 2.86Å
69	K	77.5	Confident	83.5	Confident	168 Å²	168	112.3 Å²	112.3	73%	0.73	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	2.2	177.1	-67.1	-175.1	-179.7	178.4	0	113.8	Y67	Y67-K69 PolarHBondContact O-N 3.49Å
70	D	82.9	Confident	84.4	Confident	69 Å²	69	113.5 Å²	113.5	37%	0.369	53%	0.525	S	S	.	.			trans	-60.9	126.4	175.6	-168	-36.1	0	0	0	109.7	Y67 Y72 W73 I74	Y67-D70 WeakPolarHBondContact O-CB 3.4Å; Y67-D70 PolarHBondContact O-N 3.08Å; Y67-D70 VanDerWaalsContact O-N 3.08Å; D70-Y72 PolarHBondContact O-N 3.05Å; D70-Y72 PolarHBondContact OD1-N 2.81Å; D70-W73 PolarHBondContact O-N 3.32Å; D70-I74 PolarHBondContact O-N 2.85Å; D70-I74 VanDerWaalsContact O-N 3.08Å
71	P	84.8	Confident	85	Confident	85 Å²	85	113.6 Å²	113.6	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-50.5	-31	178.4	-27.8	33.9	0	0	0	113.7	R75	P71-R75 WeakPolarHBondContact O-CD 3.29Å; P71-R75 WeakPolarHBondContact O-CG 3.46Å; P71-R75 PolarHBondContact O-N 2.8Å
72	Y	85.3	Confident	85.6	Confident	150 Å²	150	110 Å²	110	59%	0.588	52%	0.516	S	S	*	.	H	α-helix	trans	-66.4	-51.4	177.1	-178.2	-103.4	0	0	0	112.3	D70 I74 R75 I76	D70-Y72 PolarHBondContact O-N 3.05Å; D70-Y72 PolarHBondContact OD1-N 2.81Å; Y72-I74 PolarHBondContact O-N 3.26Å; Y72-R75 PolarHBondContact O-N 2.83Å; Y72-I76 HydrophobicContact CD1-CD1 3.86Å; Y72-I76 HydrophobicContact CE1-CD1 3.28Å; Y72-I76 HydrophobicContact CE1-CG1 4.49Å; Y72-I76 HydrophobicContact CE2-CD1 4.07Å; Y72-I76 HydrophobicContact CG-CD1 4.48Å; Y72-I76 VanDerWaalsContact CZ-CD1 3.4Å; Y72-I76 PolarHBondContact O-N 3.33Å; Y72-I76 VanDerWaalsContact O-N 3.08Å
73	W	85	Confident	86.3	Confident	139 Å²	139	107.9 Å²	107.9	53%	0.527	51%	0.511	S	S	.	.	H	α-helix	trans	-68.5	-33.7	-179	-76.4	111	0	0	0	113	D70 I76 R77	D70-W73 PolarHBondContact O-N 3.32Å; W73-I76 PolarHBondContact O-N 3.49Å; W73-R77 WeakPolarHBondContact O-CB 3.36Å; W73-R77 PolarHBondContact O-N 2.85Å
74	I	86.2	Confident	87.1	Confident	83 Å²	83	109 Å²	109	43%	0.426	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-46.1	173.6	-66.6	172.2	0	0	0	110.3	D70 Y72 R77 L78	D70-I74 PolarHBondContact O-N 2.85Å; D70-I74 VanDerWaalsContact O-N 3.08Å; Y72-I74 PolarHBondContact O-N 3.26Å; I74-R77 PolarHBondContact O-N 3.49Å; I74-L78 VanDerWaalsContact O-CB 3.31Å; I74-L78 WeakPolarHBondContact O-CB 3.21Å; I74-L78 PolarHBondContact O-N 2.85Å
75	R	89.3	Confident	87.9	Confident	190 Å²	190	111 Å²	111	72%	0.717	52%	0.515	S	S	*	.	H	α-helix	trans	-63	-42.3	178.6	-73.1	172.2	-174.6	-169.1	2.7	112	P71 Y72 A79	P71-R75 WeakPolarHBondContact O-CD 3.29Å; P71-R75 WeakPolarHBondContact O-CG 3.46Å; P71-R75 PolarHBondContact O-N 2.8Å; Y72-R75 PolarHBondContact O-N 2.83Å; R75-A79 VanDerWaalsContact O-CB 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.21Å; R75-A79 PolarHBondContact O-N 2.85Å
76	I	92.1	Very high	88.6	Confident	56 Å²	56	111.2 Å²	111.2	29%	0.287	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-47.8	176.5	-69.8	176.4	0	0	0	111.2	Y72 W73 L78 A79 L80	Y72-I76 HydrophobicContact CD1-CD1 3.86Å; Y72-I76 HydrophobicContact CE1-CD1 3.28Å; Y72-I76 HydrophobicContact CE1-CG1 4.49Å; Y72-I76 HydrophobicContact CE2-CD1 4.07Å; Y72-I76 HydrophobicContact CG-CD1 4.48Å; Y72-I76 VanDerWaalsContact CZ-CD1 3.4Å; Y72-I76 PolarHBondContact O-N 3.33Å; Y72-I76 VanDerWaalsContact O-N 3.08Å; W73-I76 PolarHBondContact O-N 3.49Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 2.84Å; I76-A79 PolarHBondContact O-N 3.46Å; I76-L80 HydrophobicContact CG2-CD1 3.94Å; I76-L80 HydrophobicContact CG2-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CG 3.45Å; I76-L80 PolarHBondContact O-N 3.37Å
77	R	89.9	Confident	89.6	Confident	149 Å²	149	104.8 Å²	104.8	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-61	-44.1	179.6	-170.8	-173.6	-57.2	166.4	5.4	111	W73 I74 L80 V81	W73-R77 WeakPolarHBondContact O-CB 3.36Å; W73-R77 PolarHBondContact O-N 2.85Å; I74-R77 PolarHBondContact O-N 3.49Å; R77-L80 PolarHBondContact O-N 3.4Å; R77-V81 VanDerWaalsContact O-CG2 3.31Å; R77-V81 WeakPolarHBondContact O-CG2 3.16Å; R77-V81 PolarHBondContact O-N 3.43Å
78	L	91	Very high	90.5	Very high	112 Å²	112	103.9 Å²	103.9	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-62.4	-45.4	176.1	-171.3	71.7	0	0	0	110.9	I74 I76 L80 V81 V82	I74-L78 VanDerWaalsContact O-CB 3.31Å; I74-L78 WeakPolarHBondContact O-CB 3.21Å; I74-L78 PolarHBondContact O-N 2.85Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 2.84Å; L78-L80 PolarHBondContact O-N 3.33Å; L78-V81 PolarHBondContact O-N 3.3Å; L78-V82 HydrophobicContact CD1-CG2 4.47Å; L78-V82 HydrophobicContact CG-CG2 4.35Å; L78-V82 WeakPolarHBondContact O-CB 3.09Å; L78-V82 WeakPolarHBondContact O-CG2 3.48Å; L78-V82 PolarHBondContact O-N 3.49Å
79	A	93.3	Very high	91.5	Very high	52 Å²	52	107.1 Å²	107.1	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-60.2	-42.8	177.1	0	0	0	0	0	112.2	R75 I76 T83	R75-A79 VanDerWaalsContact O-CB 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.21Å; R75-A79 PolarHBondContact O-N 2.85Å; I76-A79 PolarHBondContact O-N 3.46Å; A79-T83 VanDerWaalsContact O-CB 3.24Å; A79-T83 WeakPolarHBondContact O-CB 3.48Å; A79-T83 PolarHBondContact O-N 2.88Å; A79-T83 PolarHBondContact O-OG1 2.89Å
80	L	94.9	Very high	92.4	Very high	118 Å²	118	101.8 Å²	101.8	62%	0.618	50%	0.498	S	S	*	.	H	α-helix	trans	-66.5	-44	177.3	-72.1	174.2	0	0	0	112.3	I76 R77 L78 T83 F84	I76-L80 HydrophobicContact CG2-CD1 3.94Å; I76-L80 HydrophobicContact CG2-CG 4.33Å; I76-L80 WeakPolarHBondContact O-CG 3.45Å; I76-L80 PolarHBondContact O-N 3.37Å; R77-L80 PolarHBondContact O-N 3.4Å; L78-L80 PolarHBondContact O-N 3.33Å; L80-T83 PolarHBondContact O-N 3.38Å; L80-F84 WeakPolarHBondContact O-CB 3.24Å; L80-F84 PolarHBondContact O-N 2.88Å
81	V	94.7	Very high	93.1	Very high	72 Å²	72	105 Å²	105	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-44	177.3	171	0	0	0	0	110.9	R77 L78 F84 W85	R77-V81 VanDerWaalsContact O-CG2 3.31Å; R77-V81 WeakPolarHBondContact O-CG2 3.16Å; R77-V81 PolarHBondContact O-N 3.43Å; L78-V81 PolarHBondContact O-N 3.3Å; V81-F84 PolarHBondContact O-N 3.29Å; V81-W85 VanDerWaalsContact O-CD1 3.22Å; V81-W85 PolarHBondContact O-N 3.46Å; V81-W85 VanDerWaalsContact O-N 3.14Å
82	V	95.7	Very high	93.7	Very high	70 Å²	70	106.4 Å²	106.4	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-44.4	176.2	170.1	0	0	0	0	110.6	L78 F84 W85 I86	L78-V82 HydrophobicContact CD1-CG2 4.47Å; L78-V82 HydrophobicContact CG-CG2 4.35Å; L78-V82 WeakPolarHBondContact O-CB 3.09Å; L78-V82 WeakPolarHBondContact O-CG2 3.48Å; L78-V82 PolarHBondContact O-N 3.49Å; V82-F84 PolarHBondContact O-N 2.93Å; V82-W85 PolarHBondContact O-N 3.33Å; V82-I86 HydrophobicContact CG1-CD1 3.67Å; V82-I86 HydrophobicContact CG1-CG1 4.35Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.47Å
83	T	95.6	Very high	94.2	Very high	76 Å²	76	103.3 Å²	103.3	47%	0.466	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-42.7	177.5	-56.9	0	0	0	0	111.5	A79 L80 W85 I86 V87	A79-T83 VanDerWaalsContact O-CB 3.24Å; A79-T83 WeakPolarHBondContact O-CB 3.48Å; A79-T83 PolarHBondContact O-N 2.88Å; A79-T83 PolarHBondContact O-OG1 2.89Å; L80-T83 PolarHBondContact O-N 3.38Å; T83-W85 PolarHBondContact O-N 3.14Å; T83-I86 PolarHBondContact O-N 3.4Å; T83-V87 HydrophobicContact CG2-CG2 4.27Å; T83-V87 WeakPolarHBondContact O-CB 3.25Å; T83-V87 WeakPolarHBondContact O-CG2 3.26Å; T83-V87 PolarHBondContact O-N 2.86Å
84	F	96.6	Very high	94.8	Very high	122 Å²	122	99 Å²	99	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-56.7	-49.3	175.8	172.2	-94.4	0	0	0	111.7	L80 V81 V82 V87 W88	L80-F84 WeakPolarHBondContact O-CB 3.24Å; L80-F84 PolarHBondContact O-N 2.88Å; V81-F84 PolarHBondContact O-N 3.29Å; V82-F84 PolarHBondContact O-N 2.93Å; F84-V87 PolarHBondContact O-N 2.96Å; F84-W88 VanDerWaalsContact O-CB 3.31Å; F84-W88 WeakPolarHBondContact O-CB 3.24Å; F84-W88 PolarHBondContact O-N 3.39Å
85	W	97.2	Very high	95.3	Very high	140 Å²	140	97.4 Å²	97.4	53%	0.53	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-37.1	178.6	-77.1	109.9	0	0	0	112.8	V81 V82 T83 W88 I89	V81-W85 VanDerWaalsContact O-CD1 3.22Å; V81-W85 PolarHBondContact O-N 3.46Å; V81-W85 VanDerWaalsContact O-N 3.14Å; V82-W85 PolarHBondContact O-N 3.33Å; T83-W85 PolarHBondContact O-N 3.14Å; W85-W88 HydrophobicContact CE3-CE3 4.46Å; W85-W88 HydrophobicContact CZ3-CE3 4.34Å; W85-W88 PolarHBondContact O-N 3.42Å; W85-I89 WeakPolarHBondContact O-CB 3.39Å; W85-I89 WeakPolarHBondContact O-CG1 3.32Å; W85-I89 PolarHBondContact O-N 3.22Å
86	I	97.1	Very high	95.6	Very high	104 Å²	104	92.3 Å²	92.3	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-48	174.1	-71	169.5	0	0	0	110.6	V82 T83 I89 A90	V82-I86 HydrophobicContact CG1-CD1 3.67Å; V82-I86 HydrophobicContact CG1-CG1 4.35Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.47Å; T83-I86 PolarHBondContact O-N 3.4Å; I86-I89 PolarHBondContact O-N 3.14Å; I86-A90 VanDerWaalsContact O-CB 3.24Å; I86-A90 WeakPolarHBondContact O-CB 3.48Å; I86-A90 PolarHBondContact O-N 3.01Å
87	V	96.9	Very high	95.8	Very high	75 Å²	75	91.3 Å²	91.3	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-42.7	178.4	171	0	0	0	0	110.8	T83 F84 A90 M91	T83-V87 HydrophobicContact CG2-CG2 4.27Å; T83-V87 WeakPolarHBondContact O-CB 3.25Å; T83-V87 WeakPolarHBondContact O-CG2 3.26Å; T83-V87 PolarHBondContact O-N 2.86Å; F84-V87 PolarHBondContact O-N 2.96Å; V87-A90 PolarHBondContact O-N 3.27Å; V87-M91 HydrophobicContact CG1-SD 4.44Å; V87-M91 WeakPolarHBondContact O-CG 3.31Å; V87-M91 PolarHBondContact O-N 2.9Å
88	W	97.6	Very high	96	Very high	127 Å²	127	89.5 Å²	89.5	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-46.4	178.8	-168.7	92.7	0	0	0	111.9	F84 W85 A90 M91 F92	F84-W88 VanDerWaalsContact O-CB 3.31Å; F84-W88 WeakPolarHBondContact O-CB 3.24Å; F84-W88 PolarHBondContact O-N 3.39Å; W85-W88 HydrophobicContact CE3-CE3 4.46Å; W85-W88 HydrophobicContact CZ3-CE3 4.34Å; W85-W88 PolarHBondContact O-N 3.42Å; W88-A90 VanDerWaalsContact C-N 3.34Å; W88-A90 PolarHBondContact O-N 2.77Å; W88-M91 PolarHBondContact O-N 3.33Å; W88-F92 HydrophobicContact CH2-CD2 4.47Å; W88-F92 HydrophobicContact CZ3-CB 4.35Å; W88-F92 HydrophobicContact CZ3-CG 4.43Å; W88-F92 WeakPolarHBondContact O-CB 3.31Å; W88-F92 PolarHBondContact O-N 3.43Å
89	I	97.3	Very high	96.1	Very high	92 Å²	92	89.6 Å²	89.6	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175	-69	168	0	0	0	110.3	W85 I86 M91 F92 V93	W85-I89 WeakPolarHBondContact O-CB 3.39Å; W85-I89 WeakPolarHBondContact O-CG1 3.32Å; W85-I89 PolarHBondContact O-N 3.22Å; I86-I89 PolarHBondContact O-N 3.14Å; I89-M91 PolarHBondContact O-N 2.95Å; I89-F92 PolarHBondContact O-N 2.79Å; I89-V93 HydrophobicContact CG2-CG2 4.24Å; I89-V93 WeakPolarHBondContact O-CB 3.39Å; I89-V93 VanDerWaalsContact O-CG2 3.29Å; I89-V93 WeakPolarHBondContact O-CG2 3.36Å; I89-V93 PolarHBondContact O-N 3.44Å
90	A	96.9	Very high	96	Very high	56 Å²	56	92.5 Å²	92.5	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-42.8	177	0	0	0	0	0	112.1	I86 V87 W88 A94	I86-A90 VanDerWaalsContact O-CB 3.24Å; I86-A90 WeakPolarHBondContact O-CB 3.48Å; I86-A90 PolarHBondContact O-N 3.01Å; V87-A90 PolarHBondContact O-N 3.27Å; W88-A90 VanDerWaalsContact C-N 3.34Å; W88-A90 PolarHBondContact O-N 2.77Å; A90-A94 VanDerWaalsContact O-CB 3.24Å; A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.2Å
91	M	97.3	Very high	95.9	Very high	138 Å²	138	93.5 Å²	93.5	68%	0.68	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-40.7	174.2	-76.8	-173	68.6	0	0	112.1	V87 W88 I89 A94 A95	V87-M91 HydrophobicContact CG1-SD 4.44Å; V87-M91 WeakPolarHBondContact O-CG 3.31Å; V87-M91 PolarHBondContact O-N 2.9Å; W88-M91 PolarHBondContact O-N 3.33Å; I89-M91 PolarHBondContact O-N 2.95Å; M91-A94 PolarHBondContact O-N 3.43Å; M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 3.3Å
92	F	97.2	Very high	95.6	Very high	113 Å²	113	93.1 Å²	93.1	50%	0.496	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-45	177.9	-173	-108.6	0	0	0	111.7	W88 I89 A94 A95 I96	W88-F92 HydrophobicContact CH2-CD2 4.47Å; W88-F92 HydrophobicContact CZ3-CB 4.35Å; W88-F92 HydrophobicContact CZ3-CG 4.43Å; W88-F92 WeakPolarHBondContact O-CB 3.31Å; W88-F92 PolarHBondContact O-N 3.43Å; I89-F92 PolarHBondContact O-N 2.79Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A94 PolarHBondContact O-N 3.3Å; F92-A95 PolarHBondContact O-N 3Å; F92-I96 HydrophobicContact CD1-CD1 3.75Å; F92-I96 HydrophobicContact CE1-CD1 3.38Å; F92-I96 HydrophobicContact CE1-CG1 4.44Å; F92-I96 HydrophobicContact CG-CD1 4.47Å; F92-I96 HydrophobicContact CZ-CD1 3.81Å; F92-I96 WeakPolarHBondContact O-CG1 3.32Å; F92-I96 PolarHBondContact O-N 3.48Å
93	V	97.2	Very high	95	Very high	86 Å²	86	95.4 Å²	95.4	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-40.6	174	172.7	0	0	0	0	110.8	I89 I96 A97	I89-V93 HydrophobicContact CG2-CG2 4.24Å; I89-V93 WeakPolarHBondContact O-CB 3.39Å; I89-V93 VanDerWaalsContact O-CG2 3.29Å; I89-V93 WeakPolarHBondContact O-CG2 3.36Å; I89-V93 PolarHBondContact O-N 3.44Å; V93-I96 PolarHBondContact O-N 2.9Å; V93-A97 VanDerWaalsContact O-CB 3.25Å; V93-A97 WeakPolarHBondContact O-CB 3.4Å; V93-A97 PolarHBondContact O-N 3.46Å
94	A	96.4	Very high	94.3	Very high	47 Å²	47	101.3 Å²	101.3	39%	0.388	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-41.5	175.2	0	0	0	0	0	112.1	A90 M91 F92 A97 I98	A90-A94 VanDerWaalsContact O-CB 3.24Å; A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.2Å; M91-A94 PolarHBondContact O-N 3.43Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A94 PolarHBondContact O-N 3.3Å; A94-A97 PolarHBondContact O-N 3.26Å; A94-I98 VanDerWaalsContact O-CG1 3.26Å; A94-I98 WeakPolarHBondContact O-CG1 3.31Å; A94-I98 PolarHBondContact O-N 3.04Å
95	A	96.4	Very high	93.3	Very high	51 Å²	51	100.8 Å²	100.8	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-45.1	175.7	0	0	0	0	0	111.8	M91 F92 A97 I98 V99	M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 3.3Å; F92-A95 PolarHBondContact O-N 3Å; A95-A97 VanDerWaalsContact C-N 3.35Å; A95-I98 PolarHBondContact O-N 2.86Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 2.92Å
96	I	96.6	Very high	92.1	Very high	82 Å²	82	96.7 Å²	96.7	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-45.6	173.9	-67.8	169.2	0	0	0	110.4	F92 V93 I98 V99 V100	F92-I96 HydrophobicContact CD1-CD1 3.75Å; F92-I96 HydrophobicContact CE1-CD1 3.38Å; F92-I96 HydrophobicContact CE1-CG1 4.44Å; F92-I96 HydrophobicContact CG-CD1 4.47Å; F92-I96 HydrophobicContact CZ-CD1 3.81Å; F92-I96 WeakPolarHBondContact O-CG1 3.32Å; F92-I96 PolarHBondContact O-N 3.48Å; V93-I96 PolarHBondContact O-N 2.9Å; I96-I98 VanDerWaalsContact C-N 3.34Å; I96-I98 PolarHBondContact O-N 3.5Å; I96-V99 PolarHBondContact O-N 2.98Å; I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 WeakPolarHBondContact O-CB 3.08Å; I96-V100 WeakPolarHBondContact O-CG2 3.46Å; I96-V100 PolarHBondContact O-N 2.91Å
97	A	95.5	Very high	90.8	Very high	36 Å²	36	99.1 Å²	99.1	30%	0.298	56%	0.561	S	S	.	*	H	α-helix	trans	-60.6	-42.3	178.3	0	0	0	0	0	111.4	V93 A94 A95 V99 V100 L101	V93-A97 VanDerWaalsContact O-CB 3.25Å; V93-A97 WeakPolarHBondContact O-CB 3.4Å; V93-A97 PolarHBondContact O-N 3.46Å; A94-A97 PolarHBondContact O-N 3.26Å; A95-A97 VanDerWaalsContact C-N 3.35Å; A97-V99 PolarHBondContact O-N 2.57Å; A97-V100 PolarHBondContact O-N 2.89Å; A97-L101 HydrophobicContact CB-CD1 4.18Å; A97-L101 WeakPolarHBondContact O-CA 3.42Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.33Å; A97-L101 PolarHBondContact O-N 2.83Å
98	I	94.6	Very high	89.8	Confident	110 Å²	110	101.2 Å²	101.2	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-60.4	-47.4	174.9	-70.2	163.6	0	0	0	110.2	A94 A95 I96 V100 S102	A94-I98 VanDerWaalsContact O-CG1 3.26Å; A94-I98 WeakPolarHBondContact O-CG1 3.31Å; A94-I98 PolarHBondContact O-N 3.04Å; A95-I98 PolarHBondContact O-N 2.86Å; I96-I98 VanDerWaalsContact C-N 3.34Å; I96-I98 PolarHBondContact O-N 3.5Å; I98-V100 PolarHBondContact O-N 2.99Å; I98-S102 WeakPolarHBondContact O-CA 3.43Å; I98-S102 WeakPolarHBondContact O-CB 3.43Å; I98-S102 PolarHBondContact O-N 3.14Å; I98-S102 PolarHBondContact O-OG 3.03Å
99	V	92.8	Very high	88.6	Confident	115 Å²	115	97.3 Å²	97.3	70%	0.697	56%	0.555	S	S	*	*	H	α-helix	trans	-64.9	-41	-178.9	174	0	0	0	0	112.1	A95 I96 A97	A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 2.92Å; I96-V99 PolarHBondContact O-N 2.98Å; A97-V99 PolarHBondContact O-N 2.57Å
100	V	92.8	Very high	87.4	Confident	112 Å²	112	99.1 Å²	99.1	68%	0.679	57%	0.573	S	S	*	*	H	α-helix	trans	-78.4	-36.4	-177.1	175.2	0	0	0	0	112.4	I96 A97 I98	I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 WeakPolarHBondContact O-CB 3.08Å; I96-V100 WeakPolarHBondContact O-CG2 3.46Å; I96-V100 PolarHBondContact O-N 2.91Å; A97-V100 PolarHBondContact O-N 2.89Å; I98-V100 PolarHBondContact O-N 2.99Å
101	L	92.1	Very high	86.4	Confident	140 Å²	140	98.3 Å²	98.3	73%	0.733	56%	0.558	S	S	*	*	H	α-helix	trans	-88.9	-16	-179.2	-59.5	172.8	0	0	0	112.9	A97 P103	A97-L101 HydrophobicContact CB-CD1 4.18Å; A97-L101 WeakPolarHBondContact O-CA 3.42Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.33Å; A97-L101 PolarHBondContact O-N 2.83Å; L101-P103 WeakPolarHBondContact O-CD 2.84Å
102	S	88.3	Confident	85.7	Confident	64 Å²	64	94.8 Å²	94.8	45%	0.448	54%	0.541	S	S	.	.	S	Bend	trans	-63.1	122.3	174.3	-72.7	0	0	0	0	108.7	I98 K104	I98-S102 WeakPolarHBondContact O-CA 3.43Å; I98-S102 WeakPolarHBondContact O-CB 3.43Å; I98-S102 PolarHBondContact O-N 3.14Å; I98-S102 PolarHBondContact O-OG 3.03Å; S102-K104 PolarHBondContact O-N 2.64Å
103	P	83.5	Confident	85.2	Confident	118 Å²	118	90 Å²	90	77%	0.766	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.8	143.7	173.9	25.8	-32.9	0	0	0	108.5	L101 C105	L101-P103 WeakPolarHBondContact O-CD 2.84Å; P103-C105 PolarHBondContact O-N 3.24Å
104	K	79.6	Confident	84.4	Confident	200 Å²	200	87.2 Å²	87.2	87%	0.87	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.4	168.8	-69.1	-176.2	178.5	-179.8	0	107.6	S102	S102-K104 PolarHBondContact O-N 2.64Å
105	C	76	Confident	83.6	Confident	110 Å²	110	86.1 Å²	86.1	74%	0.743	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-50.8	129.9	169	-66.1	0	0	0	0	107.4	P103 D107	P103-C105 PolarHBondContact O-N 3.24Å; C105-D107 PolarHBondContact O-N 3.04Å
106	P	71.5	Confident	82.9	Confident	54 Å²	54	85.8 Å²	85.8	35%	0.351	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-58.1	138.4	177.6	24.4	-32.8	0	0	0	108.6	K108 T490	P106-K108 PolarHBondContact O-N 3Å; P106-T490 HydrophobicContact CG-CG2 3.24Å
107	D	71.6	Confident	82.4	Confident	156 Å²	156	84 Å²	84	83%	0.834	46%	0.464	S	S	*	.			trans	-61	110.5	-179	-66.7	-41.1	0	0	0	108.4	C105	C105-D107 PolarHBondContact O-N 3.04Å
108	K	74.7	Confident	82.1	Confident	118 Å²	118	82.4 Å²	82.4	51%	0.513	45%	0.45	S	S	.	.			trans	-67	126.2	174	-67.3	176.5	-177.7	175.9	0	106.4	P106 Y469	P106-K108 PolarHBondContact O-N 3Å; K108-Y469 HydrophobicContact CB-CD1 4.47Å; K108-Y469 HydrophobicContact CB-CE1 4.17Å; K108-Y469 HydrophobicContact CD-CD2 4.45Å; K108-Y469 HydrophobicContact CD-CE2 3.94Å; K108-Y469 HydrophobicContact CG-CE2 4.43Å
109	P	71.7	Confident	81.9	Confident	45 Å²	45	77.3 Å²	77.3	29%	0.292	42%	0.424	S	S	.	.			trans	-58.4	132.8	178.8	23.4	-31.2	0	0	0	108.2	R111 Y469 I489	P109-R111 PolarHBondContact O-N 2.83Å; P109-Y469 HydrophobicContact CG-CD1 3.86Å; P109-Y469 WeakPolarHBondContact O-CE1 3.46Å; P109-I489 HydrophobicContact CG-CD1 4.08Å
110	P	72.5	Confident	82	Confident	131 Å²	131	71.9 Å²	71.9	85%	0.851	39%	0.391	S	S	*	.			trans	-64.4	106.4	-177.4	26	-33.1	0	0	0	108.2
111	R	76	Confident	82	Confident	39 Å²	39	67.1 Å²	67.1	15%	0.147	36%	0.362	C	S	.	.			trans	-108.3	125.2	178.2	-70.4	-175.8	-170.6	-176.6	2.3	110.9	P109 Q115 L468 Y469	P109-R111 PolarHBondContact O-N 2.83Å; R111-Q115 VanDerWaalsContact CA-OE1 3.25Å; R111-Q115 HydrophobicContact CB-CB 4.38Å; R111-L468 VanDerWaalsContact CD-O 3.31Å; R111-L468 WeakPolarHBondContact CD-O 3.47Å; R111-L468 PolarHBondContact NH1-O 3.18Å; R111-Y469 HydrophobicContact CB-CE1 4.23Å; R111-Y469 HydrophobicContact CG-CD1 4.35Å; R111-Y469 HydrophobicContact CG-CE1 4.15Å; R111-Y469 VanDerWaalsContact CZ-CA 3.47Å; R111-Y469 PolarHBondContact NH2-O 3.47Å
112	L	83.8	Confident	82.1	Confident	63 Å²	63	60.5 Å²	60.5	33%	0.33	33%	0.327	S	S	.	.			trans	-67.8	162	173.9	-66	173.3	0	0	0	110	W114 Q115	L112-W114 HydrophobicContact CB-CD2 4.44Å; L112-W114 HydrophobicContact CB-CG 4.29Å; L112-W114 HydrophobicContact CB-CZ2 4.45Å; L112-W114 VanDerWaalsContact CB-NE1 3.35Å; L112-W114 HydrophobicContact CD1-CZ2 3.81Å; L112-W114 PolarHBondContact O-N 2.95Å; L112-Q115 PolarHBondContact O-N 2.9Å; L112-Q115 VanDerWaalsContact O-N 3.12Å
113	W	85	Confident	82.3	Confident	13 Å²	13	58.4 Å²	58.4	5%	0.049	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.3	-39.9	-177.7	69	-90.8	0	0	0	111.3	Q115 K116 R117 T155 Y201 V203 D291 S324 F328	W113-Q115 PolarHBondContact O-N 3.11Å; W113-Q115 VanDerWaalsContact O-N 3.1Å; W113-K116 WeakPolarHBondContact O-CG 3.32Å; W113-K116 PolarHBondContact O-N 3.25Å; W113-R117 HydrophobicContact CB-CG 4.34Å; W113-R117 HydrophobicContact CE3-CG 4.5Å; W113-R117 WeakPolarHBondContact O-CB 3.44Å; W113-R117 WeakPolarHBondContact O-CG 3.43Å; W113-R117 PolarHBondContact O-N 3.05Å; W113-R117 VanDerWaalsContact O-N 3.15Å; W113-T155 HydrophobicContact CH2-CG2 4.17Å; W113-T155 HydrophobicContact CZ3-CG2 3.66Å; W113-T155 WeakPolarHBondContact CZ3-OG1 3.02Å; W113-Y201 HydrophobicContact CB-CD1 4.46Å; W113-Y201 HydrophobicContact CB-CD2 4.19Å; W113-Y201 HydrophobicContact CB-CE1 3.92Å; W113-Y201 HydrophobicContact CB-CE2 3.62Å; W113-Y201 VanDerWaalsContact CB-CZ 3.46Å; W113-Y201 AromaticContact CD1-CE1 3.94Å; W113-Y201 AromaticContact CD2-CD1 3.81Å; W113-Y201 HydrophobicContact CD2-CD1 3.81Å; W113-Y201 HydrophobicContact CD2-CD2 4.02Å; W113-Y201 HydrophobicContact CD2-CE1 4.12Å; W113-Y201 HydrophobicContact CD2-CE2 4.32Å; W113-Y201 AromaticContact CD2-CG 3.75Å; W113-Y201 HydrophobicContact CD2-CG 3.75Å; W113-Y201 HydrophobicContact CE3-CD1 4.22Å; W113-Y201 AromaticContact CE3-CD2 3.72Å; W113-Y201 HydrophobicContact CE3-CD2 3.72Å; W113-Y201 HydrophobicContact CE3-CE2 4.32Å; W113-Y201 AromaticContact CE3-CG 3.66Å; W113-Y201 HydrophobicContact CE3-CG 3.66Å; W113-Y201 AromaticContact CG-CD1 3.9Å; W113-Y201 HydrophobicContact CG-CD1 3.9Å; W113-Y201 HydrophobicContact CG-CD2 4.23Å; W113-Y201 AromaticContact CG-CE1 3.69Å; W113-Y201 HydrophobicContact CG-CE1 3.69Å; W113-Y201 HydrophobicContact CG-CE2 4.05Å; W113-Y201 HydrophobicContact CG-CG 4.16Å; W113-Y201 AromaticContact CG-CZ 3.77Å; W113-Y201 HydrophobicContact CZ3-CG 4.24Å; W113-V203 HydrophobicContact CH2-CG2 3.59Å; W113-V203 HydrophobicContact CZ3-CG2 4.28Å; W113-D291 HydrophobicContact CH2-CB 4.45Å; W113-D291 HydrophobicContact CZ2-CB 3.85Å; W113-D291 VanDerWaalsContact CZ2-O 3.24Å; W113-D291 WeakPolarHBondContact CZ2-O 3.31Å; W113-S324 PolarHBondContact NE1-O 2.92Å; W113-F328 HydrophobicContact CH2-CE2 4.11Å; W113-F328 HydrophobicContact CH2-CZ 4.06Å
114	W	80.5	Confident	82.7	Confident	28 Å²	28	52.8 Å²	52.8	11%	0.106	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-71.2	-1.2	-179.5	60.7	-101.7	0	0	0	114.7	L112 F328 E355 S391	L112-W114 HydrophobicContact CB-CD2 4.44Å; L112-W114 HydrophobicContact CB-CG 4.29Å; L112-W114 HydrophobicContact CB-CZ2 4.45Å; L112-W114 VanDerWaalsContact CB-NE1 3.35Å; L112-W114 HydrophobicContact CD1-CZ2 3.81Å; L112-W114 PolarHBondContact O-N 2.95Å; W114-F328 HydrophobicContact CB-CE1 3.9Å; W114-F328 HydrophobicContact CB-CZ 3.47Å; W114-F328 VanDerWaalsContact CB-CZ 3.47Å; W114-F328 HydrophobicContact CE3-CE1 4.41Å; W114-F328 HydrophobicContact CG-CZ 4.43Å; W114-E355 HydrophobicContact CH2-CB 4.47Å; W114-E355 HydrophobicContact CH2-CG 4.49Å; W114-E355 HydrophobicContact CZ3-CB 4.32Å; W114-S391 WeakPolarHBondContact O-CB 3.38Å; W114-S391 PolarHBondContact O-OG 3.35Å
115	Q	79.4	Confident	83.2	Confident	24 Å²	24	43.3 Å²	43.3	11%	0.112	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-101	-3	176.1	-66.4	175.3	-40.5	0	0	113.2	R111 L112 W113 G390	R111-Q115 VanDerWaalsContact CA-OE1 3.25Å; R111-Q115 HydrophobicContact CB-CB 4.38Å; L112-Q115 PolarHBondContact O-N 2.9Å; L112-Q115 VanDerWaalsContact O-N 3.12Å; W113-Q115 PolarHBondContact O-N 3.11Å; W113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-G390 CarbonylContact O-C 3.09Å; Q115-G390 WeakPolarHBondContact O-CA 2.95Å
116	K	81.6	Confident	83.8	Confident	43 Å²	43	38 Å²	38	19%	0.187	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-20.3	-171.5	62.8	-176.4	172.3	-169.2	0	115.4	W113 L468	W113-K116 WeakPolarHBondContact O-CG 3.32Å; W113-K116 PolarHBondContact O-N 3.25Å; K116-L468 HydrophobicContact CB-CD2 3.8Å; K116-L468 HydrophobicContact CD-CD2 3.99Å; K116-L468 HydrophobicContact CG-CD2 4.3Å
117	R	86.2	Confident	84.8	Confident	46 Å²	46	35.5 Å²	35.5	17%	0.174	18%	0.179	C	C	.	.	S	Bend	trans	-89.9	157.8	-172.6	-62.5	-64.8	-173.4	179.1	-8.4	111.6	W113 Q154 Y201 S391 D462	W113-R117 HydrophobicContact CB-CG 4.34Å; W113-R117 HydrophobicContact CE3-CG 4.5Å; W113-R117 WeakPolarHBondContact O-CB 3.44Å; W113-R117 WeakPolarHBondContact O-CG 3.43Å; W113-R117 PolarHBondContact O-N 3.05Å; W113-R117 VanDerWaalsContact O-N 3.15Å; R117-Q154 HydrophobicContact CB-CB 4.28Å; R117-Q154 HydrophobicContact CG-CB 4.31Å; R117-Y201 HydrophobicContact CG-CE2 4.35Å; R117-S391 WeakPolarHBondContact O-CB 3.42Å; R117-S391 PolarHBondContact O-OG 2.99Å; R117-S391 VanDerWaalsContact O-OG 3.07Å; R117-D462 IonicContact CZ-OD1 3.9Å; R117-D462 IonicContact NH1-OD1 2.62Å; R117-D462 PolarHBondContact NH1-OD1 2.65Å; R117-D462 IonicContact NH1-OD2 2.55Å; R117-D462 PolarHBondContact NH1-OD2 3.34Å; R117-D462 IonicContact NH2-OD1 3.59Å
118	L	89.9	Confident	85.8	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.1	168.2	-62.4	176.5	0	0	0	109.6	Q154 T155 M386 L392 L394 F454 A458	L118-Q154 VanDerWaalsContact N-OE1 3.08Å; L118-T155 WeakPolarHBondContact O-CB 2.94Å; L118-T155 PolarHBondContact O-N 2.83Å; L118-T155 VanDerWaalsContact O-N 3.08Å; L118-T155 PolarHBondContact O-OG1 3.03Å; L118-M386 HydrophobicContact CD1-CE 4.01Å; L118-M386 HydrophobicContact CD1-SD 4.1Å; L118-M386 HydrophobicContact CD2-CE 4.13Å; L118-M386 HydrophobicContact CD2-SD 3.78Å; L118-L392 HydrophobicContact CD2-CB 3.78Å; L118-L392 HydrophobicContact CD2-CD1 3.79Å; L118-L392 HydrophobicContact CD2-CG 4.12Å; L118-L394 HydrophobicContact CB-CD2 4.34Å; L118-L394 HydrophobicContact CD2-CD2 4.46Å; L118-F454 HydrophobicContact CD1-CZ 4.4Å; L118-A458 HydrophobicContact CD1-CB 3.61Å
119	C	91	Very high	86.6	Confident	4 Å²	4	23.9 Å²	23.9	3%	0.027	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.3	168.9	-159.8	0	0	0	0	109.2	L392 D393 L394	C119-L392 WeakPolarHBondContact CA-O 3.36Å; C119-L392 WeakPolarHBondContact CB-O 3.46Å; C119-L392 PolarHBondContact N-O 2.71Å; C119-D393 HydrophobicContact CB-CB 4.35Å; C119-D393 WeakPolarHBondContact O-CA 3.14Å; C119-L394 WeakPolarHBondContact O-CD2 3.46Å; C119-L394 PolarHBondContact O-N 3.2Å
120	Y	94.1	Very high	87.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	100.7	-176.8	-169.6	-102.9	0	0	0	108.9	I122 F127 L148 I153 T155 R157 L394 Y396 E399	Y120-I122 HydrophobicContact CD1-CD1 3.99Å; Y120-I122 HydrophobicContact CD1-CG1 3.53Å; Y120-I122 HydrophobicContact CE1-CD1 4.33Å; Y120-I122 HydrophobicContact CE1-CG1 3.81Å; Y120-I122 PolarHBondContact O-N 2.78Å; Y120-F127 AromaticContact CE1-CE2 3.89Å; Y120-F127 HydrophobicContact CE1-CE2 3.89Å; Y120-F127 HydrophobicContact CE1-CZ 4.22Å; Y120-L148 HydrophobicContact CD1-CD1 4.34Å; Y120-L148 HydrophobicContact CD1-CD2 4.05Å; Y120-L148 HydrophobicContact CE1-CD1 4.4Å; Y120-L148 HydrophobicContact CE1-CD2 3.59Å; Y120-I153 VanDerWaalsContact CB-CG2 3.48Å; Y120-I153 HydrophobicContact CD2-CD1 3.58Å; Y120-I153 HydrophobicContact CD2-CG1 3.96Å; Y120-I153 HydrophobicContact CE2-CD1 4.25Å; Y120-I153 HydrophobicContact CE2-CG1 4.46Å; Y120-I153 HydrophobicContact CG-CD1 4.06Å; Y120-I153 HydrophobicContact CG-CG1 4.12Å; Y120-I153 HydrophobicContact CG-CG2 4.06Å; Y120-T155 WeakPolarHBondContact CB-O 3.19Å; Y120-T155 PolarHBondContact N-O 2.86Å; Y120-R157 PolarHBondContact O-N 2.83Å; Y120-L394 CarbonylContact C-O 3.6Å; Y120-L394 WeakPolarHBondContact CA-O 3.27Å; Y120-L394 HydrophobicContact CD2-CD1 3.45Å; Y120-L394 VanDerWaalsContact CD2-CD1 3.45Å; Y120-L394 HydrophobicContact CD2-CG 3.87Å; Y120-L394 HydrophobicContact CE2-CD1 3.7Å; Y120-Y396 VanDerWaalsContact CZ-CA 3.44Å; Y120-Y396 VanDerWaalsContact CZ-CB 3.43Å; Y120-Y396 VanDerWaalsContact OH-CA 3.31Å; Y120-Y396 WeakPolarHBondContact OH-CA 3.46Å; Y120-Y396 WeakPolarHBondContact OH-CB 3.18Å; Y120-E399 WeakPolarHBondContact CE2-OE2 3.37Å; Y120-E399 PolarHBondContact OH-OE1 3.2Å; Y120-E399 PolarHBondContact OH-OE2 3.27Å
121	Q	93.7	Very high	88.4	Confident	13 Å²	13	22.4 Å²	22.4	6%	0.061	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.4	178.2	-175.8	-176.8	2.2	0	0	109.8	R157 L394 M395 Y396	Q121-R157 WeakPolarHBondContact CA-O 3.5Å; Q121-L394 PolarHBondContact N-O 2.84Å; Q121-M395 WeakPolarHBondContact O-CA 3.41Å; Q121-Y396 PolarHBondContact O-N 3.35Å
122	I	93.9	Very high	88.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.3	179.1	-61.1	175	0	0	0	107.5	Y120 T124 F127 I141 L148 I156 R157 S159	Y120-I122 HydrophobicContact CD1-CD1 3.99Å; Y120-I122 HydrophobicContact CD1-CG1 3.53Å; Y120-I122 HydrophobicContact CE1-CD1 4.33Å; Y120-I122 HydrophobicContact CE1-CG1 3.81Å; Y120-I122 PolarHBondContact O-N 2.78Å; I122-T124 PolarHBondContact O-N 3.36Å; I122-F127 HydrophobicContact CD1-CE1 4.13Å; I122-F127 HydrophobicContact CD1-CE2 4.5Å; I122-F127 HydrophobicContact CD1-CZ 4.07Å; I122-F127 HydrophobicContact CG1-CE2 4.31Å; I122-F127 HydrophobicContact CG1-CZ 4.38Å; I122-F127 HydrophobicContact CG2-CB 3.52Å; I122-F127 HydrophobicContact CG2-CD1 3.77Å; I122-F127 HydrophobicContact CG2-CD2 3.71Å; I122-F127 HydrophobicContact CG2-CE1 4.32Å; I122-F127 HydrophobicContact CG2-CE2 4.3Å; I122-F127 HydrophobicContact CG2-CG 3.39Å; I122-I141 HydrophobicContact CD1-CG2 3.88Å; I122-I141 HydrophobicContact CG2-CD1 3.8Å; I122-I141 HydrophobicContact CG2-CG1 4.09Å; I122-L148 HydrophobicContact CD1-CD1 4.09Å; I122-I156 HydrophobicContact CD1-CB 4.04Å; I122-I156 HydrophobicContact CD1-CG2 3.99Å; I122-R157 PolarHBondContact N-O 2.93Å; I122-S159 PolarHBondContact O-N 3.38Å; I122-S159 PolarHBondContact O-OG 3.16Å
123	W	91.6	Very high	89	Confident	21 Å²	21	25.5 Å²	25.5	8%	0.08	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	101.3	164.8	-173.3	69.8	0	0	0	108.1	P125 G126 F127 S159 Y396 V407 M427 A429	W123-P125 VanDerWaalsContact C-CD 3.44Å; W123-P125 HydrophobicContact CD2-CB 4.33Å; W123-P125 HydrophobicContact CD2-CG 4.31Å; W123-P125 HydrophobicContact CE3-CB 4.2Å; W123-P125 HydrophobicContact CH2-CB 3.85Å; W123-P125 HydrophobicContact CH2-CG 4.46Å; W123-P125 HydrophobicContact CZ2-CB 3.98Å; W123-P125 HydrophobicContact CZ2-CG 4.08Å; W123-P125 HydrophobicContact CZ3-CB 3.95Å; W123-G126 VanDerWaalsContact CE3-CA 3.48Å; W123-G126 PolarHBondContact O-N 3.04Å; W123-F127 PolarHBondContact O-N 3.36Å; W123-S159 VanDerWaalsContact CA-OG 3.31Å; W123-S159 WeakPolarHBondContact CA-OG 3.25Å; W123-Y396 HydrophobicContact CB-CE1 3.63Å; W123-V407 HydrophobicContact CB-CG1 4.27Å; W123-V407 HydrophobicContact CD2-CG1 3.69Å; W123-V407 HydrophobicContact CE3-CG1 3.32Å; W123-V407 HydrophobicContact CG-CG1 4.14Å; W123-V407 HydrophobicContact CZ3-CG1 3.83Å; W123-M427 HydrophobicContact CH2-CE 3.94Å; W123-M427 HydrophobicContact CZ3-CE 3.67Å; W123-A429 HydrophobicContact CE3-CB 4.29Å; W123-A429 HydrophobicContact CH2-CB 3.84Å; W123-A429 HydrophobicContact CZ3-CB 3.35Å
124	T	92.9	Very high	89.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-51.6	-47.4	-166.8	-53.1	0	0	0	0	113.2	I122 G126 F127 G136 L138 I141 S159 I161 V182	I122-T124 PolarHBondContact O-N 3.36Å; T124-G126 PolarHBondContact O-N 2.96Å; T124-G126 VanDerWaalsContact O-N 3.15Å; T124-F127 PolarHBondContact O-N 3.15Å; T124-G136 CarbonylContact C-O 3.46Å; T124-G136 CarbonylContact O-C 3.59Å; T124-G136 VanDerWaalsContact O-C 3.3Å; T124-G136 VanDerWaalsContact O-CA 3.27Å; T124-G136 WeakPolarHBondContact O-CA 3.43Å; T124-L138 HydrophobicContact CG2-CD2 4.44Å; T124-I141 HydrophobicContact CG2-CD1 3.68Å; T124-I141 HydrophobicContact CG2-CG1 4.41Å; T124-S159 WeakPolarHBondContact CB-O 3.38Å; T124-S159 PolarHBondContact N-O 3.15Å; T124-S159 VanDerWaalsContact N-O 3.09Å; T124-S159 PolarHBondContact OG1-O 3.08Å; T124-I161 HydrophobicContact CG2-CG2 4.21Å; T124-I161 WeakPolarHBondContact OG1-CG2 3.39Å; T124-V182 HydrophobicContact CG2-CB 4.05Å; T124-V182 HydrophobicContact CG2-CG1 4.08Å
125	P	89.3	Confident	89.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33	180	-25.9	36.1	0	0	0	113.7	W123 V135 G136 F169 M427	W123-P125 VanDerWaalsContact C-CD 3.44Å; W123-P125 HydrophobicContact CD2-CB 4.33Å; W123-P125 HydrophobicContact CD2-CG 4.31Å; W123-P125 HydrophobicContact CE3-CB 4.2Å; W123-P125 HydrophobicContact CH2-CB 3.85Å; W123-P125 HydrophobicContact CH2-CG 4.46Å; W123-P125 HydrophobicContact CZ2-CB 3.98Å; W123-P125 HydrophobicContact CZ2-CG 4.08Å; W123-P125 HydrophobicContact CZ3-CB 3.95Å; P125-V135 HydrophobicContact CB-CG1 3.93Å; P125-G136 WeakPolarHBondContact O-CA 3.46Å; P125-G136 PolarHBondContact O-N 3.24Å; P125-F169 HydrophobicContact CB-CD2 4.29Å; P125-F169 HydrophobicContact CB-CE2 3.83Å; P125-F169 HydrophobicContact CB-CZ 4.24Å; P125-F169 HydrophobicContact CG-CD1 4.12Å; P125-F169 HydrophobicContact CG-CD2 3.44Å; P125-F169 VanDerWaalsContact CG-CD2 3.44Å; P125-F169 HydrophobicContact CG-CE1 4.04Å; P125-F169 HydrophobicContact CG-CE2 3.32Å; P125-F169 HydrophobicContact CG-CG 3.86Å; P125-F169 HydrophobicContact CG-CZ 3.64Å; P125-M427 HydrophobicContact CB-CE 3.99Å; P125-M427 WeakPolarHBondContact O-CE 3.34Å
126	G	89.2	Confident	90	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-97.6	3.9	-175.8	0	0	0	0	0	115.5	W123 T124 L409 M410	W123-G126 VanDerWaalsContact CE3-CA 3.48Å; W123-G126 PolarHBondContact O-N 3.04Å; T124-G126 PolarHBondContact O-N 2.96Å; T124-G126 VanDerWaalsContact O-N 3.15Å; G126-L409 VanDerWaalsContact CA-CD2 3.49Å; G126-L409 WeakPolarHBondContact O-CA 3.05Å; G126-M410 PolarHBondContact O-N 3.19Å
127	F	92.5	Very high	90.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-60.6	-167.8	-171.4	-110.3	0	0	0	113.9	Y120 I122 W123 T124 I141 K144 L148 Y396 M410 W412	Y120-F127 AromaticContact CE1-CE2 3.89Å; Y120-F127 HydrophobicContact CE1-CE2 3.89Å; Y120-F127 HydrophobicContact CE1-CZ 4.22Å; I122-F127 HydrophobicContact CD1-CE1 4.13Å; I122-F127 HydrophobicContact CD1-CE2 4.5Å; I122-F127 HydrophobicContact CD1-CZ 4.07Å; I122-F127 HydrophobicContact CG1-CE2 4.31Å; I122-F127 HydrophobicContact CG1-CZ 4.38Å; I122-F127 HydrophobicContact CG2-CB 3.52Å; I122-F127 HydrophobicContact CG2-CD1 3.77Å; I122-F127 HydrophobicContact CG2-CD2 3.71Å; I122-F127 HydrophobicContact CG2-CE1 4.32Å; I122-F127 HydrophobicContact CG2-CE2 4.3Å; I122-F127 HydrophobicContact CG2-CG 3.39Å; W123-F127 PolarHBondContact O-N 3.36Å; T124-F127 PolarHBondContact O-N 3.15Å; F127-I141 HydrophobicContact CD1-CB 4.41Å; F127-I141 HydrophobicContact CD1-CG1 3.76Å; F127-I141 HydrophobicContact CE1-CG1 4.31Å; F127-I141 HydrophobicContact CE1-CG2 4.49Å; F127-K144 HydrophobicContact CE1-CB 3.95Å; F127-K144 HydrophobicContact CE1-CG 4.29Å; F127-K144 HydrophobicContact CZ-CB 4.4Å; F127-L148 HydrophobicContact CZ-CD1 4.03Å; F127-L148 HydrophobicContact CZ-CD2 4.22Å; F127-L148 HydrophobicContact CZ-CG 4.42Å; F127-Y396 HydrophobicContact CD2-CD2 4.18Å; F127-Y396 HydrophobicContact CD2-CG 4.01Å; F127-Y396 HydrophobicContact CE2-CG 4.43Å; F127-M410 HydrophobicContact CD2-CB 4.07Å; F127-M410 HydrophobicContact CD2-CG 4.04Å; F127-M410 HydrophobicContact CE2-CG 4.12Å; F127-M410 WeakPolarHBondContact O-CB 3.41Å; F127-W412 HydrophobicContact CD1-CZ2 4.45Å; F127-W412 HydrophobicContact CD2-CZ2 4.45Å; F127-W412 AromaticContact CE1-CZ2 3.78Å; F127-W412 HydrophobicContact CE1-CZ2 3.78Å; F127-W412 HydrophobicContact CE2-CH2 4.5Å; F127-W412 AromaticContact CE2-CZ2 3.76Å; F127-W412 HydrophobicContact CE2-CZ2 3.76Å; F127-W412 AromaticContact CZ-CH2 4Å; F127-W412 HydrophobicContact CZ-CH2 4Å; F127-W412 AromaticContact CZ-CZ2 3.41Å; F127-W412 HydrophobicContact CZ-CZ2 3.41Å; F127-W412 VanDerWaalsContact CZ-CZ2 3.41Å; F127-W412 PolarHBondContact O-NE1 3.31Å
128	A	92.6	Very high	91.1	Very high	7 Å²	7	18.8 Å²	18.8	6%	0.058	10%	0.104	C	C	.	.			trans	-159.4	122.7	-179.9	0	0	0	0	0	109.9	G136 D137 G140 K144	A128-G136 CarbonylContact O-C 3.55Å; A128-G136 WeakPolarHBondContact O-CA 3.39Å; A128-D137 PolarHBondContact O-N 2.85Å; A128-G140 WeakPolarHBondContact O-CA 3.25Å; A128-K144 HydrophobicContact CB-CG 4.08Å
129	D	91.9	Very high	91.4	Very high	24 Å²	24	23.9 Å²	23.9	13%	0.128	13%	0.126	C	C	.	.			trans	-92.8	127.1	175.3	175.8	-3.2	0	0	0	109.8	N131 N132 D133 G134 W419	D129-N131 PolarHBondContact OD1-N 3.37Å; D129-N131 PolarHBondContact OD1-OD1 2.73Å; D129-N132 WeakPolarHBondContact OD1-CA 2.98Å; D129-N132 PolarHBondContact OD1-N 2.87Å; D129-N132 VanDerWaalsContact OD2-C 3.31Å; D129-N132 WeakPolarHBondContact OD2-CA 3.17Å; D129-N132 PolarHBondContact OD2-N 2.8Å; D129-D133 PolarHBondContact OD2-N 3.37Å; D129-G134 WeakPolarHBondContact OD2-CA 3.09Å; D129-G134 PolarHBondContact OD2-N 3.22Å; D129-W419 HydrophobicContact CB-CD2 3.69Å; D129-W419 HydrophobicContact CB-CE3 3.17Å; D129-W419 HydrophobicContact CB-CG 4.32Å; D129-W419 HydrophobicContact CB-CH2 4.22Å; D129-W419 HydrophobicContact CB-CZ3 3.49Å; D129-W419 VanDerWaalsContact CB-CZ3 3.49Å
130	S	92.3	Very high	91.7	Very high	57 Å²	57	23.8 Å²	23.8	40%	0.399	13%	0.126	S	C	.	.	S	Bend	trans	-99.9	-15.6	-179.5	85.7	0	0	0	0	114	D137 K139	S130-D137 VanDerWaalsContact CB-OD1 3.29Å; S130-D137 WeakPolarHBondContact CB-OD1 3.49Å; S130-D137 WeakPolarHBondContact CB-OD2 3.26Å; S130-D137 VanDerWaalsContact OG-CG 3.22Å; S130-D137 PolarHBondContact OG-OD1 3.46Å; S130-D137 VanDerWaalsContact OG-OD1 3.04Å; S130-D137 PolarHBondContact OG-OD2 2.95Å; S130-K139 WeakPolarHBondContact OG-CB 3.4Å
131	N	89.8	Confident	91.8	Very high	87 Å²	87	23.8 Å²	23.8	47%	0.465	13%	0.126	S	C	.	.	S	Bend	trans	-118.5	-4.4	-171.6	72.8	8.8	0	0	0	113.4	D129 D133	D129-N131 PolarHBondContact OD1-N 3.37Å; D129-N131 PolarHBondContact OD1-OD1 2.73Å; N131-D133 VanDerWaalsContact C-N 3.33Å; N131-D133 PolarHBondContact ND2-OD2 3.17Å; N131-D133 VanDerWaalsContact OD1-CB 3.29Å; N131-D133 WeakPolarHBondContact OD1-CB 3.04Å; N131-D133 PolarHBondContact OD1-N 3.27Å; N131-D133 PolarHBondContact OD1-OD1 3.13Å; N131-D133 PolarHBondContact OD1-OD2 2.79Å
132	N	86	Confident	92	Very high	108 Å²	108	26.6 Å²	26.6	58%	0.578	14%	0.138	S	C	*	.	S	Bend	trans	62.8	29.2	-177.5	-50.9	-72.5	0	0	0	114.3	D129	D129-N132 WeakPolarHBondContact OD1-CA 2.98Å; D129-N132 PolarHBondContact OD1-N 2.87Å; D129-N132 VanDerWaalsContact OD2-C 3.31Å; D129-N132 WeakPolarHBondContact OD2-CA 3.17Å; D129-N132 PolarHBondContact OD2-N 2.8Å
133	D	86.8	Confident	92.1	Very high	60 Å²	60	29.9 Å²	29.9	32%	0.321	16%	0.16	S	C	.	.	S	Bend	trans	-82.5	-4.5	172.7	72.8	15.3	0	0	0	113.3	D129 N131 V135	D129-D133 PolarHBondContact OD2-N 3.37Å; N131-D133 VanDerWaalsContact C-N 3.33Å; N131-D133 PolarHBondContact ND2-OD2 3.17Å; N131-D133 VanDerWaalsContact OD1-CB 3.29Å; N131-D133 WeakPolarHBondContact OD1-CB 3.04Å; N131-D133 PolarHBondContact OD1-N 3.27Å; N131-D133 PolarHBondContact OD1-OD1 3.13Å; N131-D133 PolarHBondContact OD1-OD2 2.79Å; D133-V135 WeakPolarHBondContact OD1-CA 3.46Å; D133-V135 WeakPolarHBondContact OD1-CB 3.17Å; D133-V135 PolarHBondContact OD1-N 3.14Å
134	G	85.5	Confident	92.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	90.9	4.4	179.7	0	0	0	0	0	114.1	D129 W419	D129-G134 WeakPolarHBondContact OD2-CA 3.09Å; D129-G134 PolarHBondContact OD2-N 3.22Å; G134-W419 VanDerWaalsContact CA-O 3.28Å; G134-W419 WeakPolarHBondContact CA-O 3.21Å; G134-W419 WeakPolarHBondContact O-CZ3 2.88Å
135	V	87.8	Confident	92.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-121.7	130.6	175.9	-171.2	0	0	0	0	110.1	P125 D133 F169 Y423	P125-V135 HydrophobicContact CB-CG1 3.93Å; D133-V135 WeakPolarHBondContact OD1-CA 3.46Å; D133-V135 WeakPolarHBondContact OD1-CB 3.17Å; D133-V135 PolarHBondContact OD1-N 3.14Å; V135-F169 HydrophobicContact CG1-CZ 4.19Å; V135-Y423 HydrophobicContact CG2-CD1 4.36Å; V135-Y423 HydrophobicContact CG2-CD2 3.24Å; V135-Y423 HydrophobicContact CG2-CE1 4.19Å; V135-Y423 HydrophobicContact CG2-CE2 3.03Å; V135-Y423 HydrophobicContact CG2-CG 3.95Å
136	G	90.8	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.			trans	-65.3	140.3	172.1	0	0	0	0	0	112.3	T124 P125 A128	T124-G136 CarbonylContact C-O 3.46Å; T124-G136 CarbonylContact O-C 3.59Å; T124-G136 VanDerWaalsContact O-C 3.3Å; T124-G136 VanDerWaalsContact O-CA 3.27Å; T124-G136 WeakPolarHBondContact O-CA 3.43Å; P125-G136 WeakPolarHBondContact O-CA 3.46Å; P125-G136 PolarHBondContact O-N 3.24Å; A128-G136 CarbonylContact O-C 3.55Å; A128-G136 WeakPolarHBondContact O-CA 3.39Å
137	D	94.2	Very high	93.2	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.053	20%	0.201	C	C	.	.			trans	-131.1	169.8	-171	66.6	25.5	0	0	0	112.3	A128 S130 K139 G140 I141 V182	A128-D137 PolarHBondContact O-N 2.85Å; S130-D137 VanDerWaalsContact CB-OD1 3.29Å; S130-D137 WeakPolarHBondContact CB-OD1 3.49Å; S130-D137 WeakPolarHBondContact CB-OD2 3.26Å; S130-D137 VanDerWaalsContact OG-CG 3.22Å; S130-D137 PolarHBondContact OG-OD1 3.46Å; S130-D137 VanDerWaalsContact OG-OD1 3.04Å; S130-D137 PolarHBondContact OG-OD2 2.95Å; D137-K139 PolarHBondContact O-N 3.42Å; D137-K139 PolarHBondContact OD1-N 3.14Å; D137-G140 PolarHBondContact O-N 2.91Å; D137-G140 VanDerWaalsContact O-N 3.15Å; D137-G140 WeakPolarHBondContact OD1-CA 3.26Å; D137-G140 PolarHBondContact OD1-N 3.23Å; D137-I141 PolarHBondContact O-N 3.46Å; D137-V182 WeakPolarHBondContact CB-O 3.42Å
138	L	97.5	Very high	93.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-31.4	-178.2	-65.4	176	0	0	0	112.3	T124 I141 K142 I161 I178 V182 D187 F188 L191	T124-L138 HydrophobicContact CG2-CD2 4.44Å; L138-I141 HydrophobicContact CD2-CD1 4.43Å; L138-I141 PolarHBondContact O-N 3.2Å; L138-K142 WeakPolarHBondContact O-CB 3.38Å; L138-K142 PolarHBondContact O-N 2.89Å; L138-I161 HydrophobicContact CD2-CB 4.48Å; L138-I161 HydrophobicContact CD2-CG2 3.89Å; L138-I178 HydrophobicContact CD1-CG2 4.02Å; L138-V182 HydrophobicContact CG-CG2 4.46Å; L138-V182 WeakPolarHBondContact CG-O 3.39Å; L138-V182 PolarHBondContact N-O 3.38Å; L138-D187 HydrophobicContact CB-CB 4.18Å; L138-D187 HydrophobicContact CD1-CB 4.24Å; L138-F188 HydrophobicContact CD1-CB 3.9Å; L138-F188 HydrophobicContact CD1-CD2 4.47Å; L138-L191 HydrophobicContact CD2-CD2 3.89Å
139	K	97	Very high	93.5	Very high	109 Å²	109	39.4 Å²	39.4	47%	0.474	22%	0.215	S	C	.	.	H	α-helix	trans	-69.9	-37.2	176.3	-70.1	179.8	-173.7	173.3	0	111.3	S130 D137 K142 S143 D187	S130-K139 WeakPolarHBondContact OG-CB 3.4Å; D137-K139 PolarHBondContact O-N 3.42Å; D137-K139 PolarHBondContact OD1-N 3.14Å; K139-K142 WeakPolarHBondContact O-CB 3.31Å; K139-K142 PolarHBondContact O-N 3.14Å; K139-S143 PolarHBondContact O-N 2.87Å; K139-D187 WeakPolarHBondContact CE-OD1 3.32Å; K139-D187 IonicContact NZ-OD1 2.84Å
140	G	95.9	Very high	93.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-47.8	172.9	0	0	0	0	0	110.7	A128 D137 K142 S143 K144	A128-G140 WeakPolarHBondContact O-CA 3.25Å; D137-G140 PolarHBondContact O-N 2.91Å; D137-G140 VanDerWaalsContact O-N 3.15Å; D137-G140 WeakPolarHBondContact OD1-CA 3.26Å; D137-G140 PolarHBondContact OD1-N 3.23Å; G140-K142 PolarHBondContact O-N 3.04Å; G140-S143 WeakPolarHBondContact O-CB 3.43Å; G140-S143 PolarHBondContact O-N 2.92Å; G140-S143 PolarHBondContact O-OG 3.21Å; G140-K144 WeakPolarHBondContact O-CG 3.47Å; G140-K144 PolarHBondContact O-N 2.63Å
141	I	97.3	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-50.7	171.7	-60.9	177.2	0	0	0	110.6	I122 T124 F127 D137 L138 S143 K144 L145 I156 P158 L191	I122-I141 HydrophobicContact CD1-CG2 3.88Å; I122-I141 HydrophobicContact CG2-CD1 3.8Å; I122-I141 HydrophobicContact CG2-CG1 4.09Å; T124-I141 HydrophobicContact CG2-CD1 3.68Å; T124-I141 HydrophobicContact CG2-CG1 4.41Å; F127-I141 HydrophobicContact CD1-CB 4.41Å; F127-I141 HydrophobicContact CD1-CG1 3.76Å; F127-I141 HydrophobicContact CE1-CG1 4.31Å; F127-I141 HydrophobicContact CE1-CG2 4.49Å; D137-I141 PolarHBondContact O-N 3.46Å; L138-I141 HydrophobicContact CD2-CD1 4.43Å; L138-I141 PolarHBondContact O-N 3.2Å; I141-S143 PolarHBondContact O-N 3.3Å; I141-K144 PolarHBondContact O-N 3.3Å; I141-L145 PolarHBondContact O-N 2.58Å; I141-I156 HydrophobicContact CG2-CD1 4.25Å; I141-P158 HydrophobicContact CD1-CB 4.13Å; I141-P158 HydrophobicContact CD1-CG 4.45Å; I141-L191 HydrophobicContact CB-CD1 4.23Å; I141-L191 HydrophobicContact CB-CD2 4.46Å; I141-L191 HydrophobicContact CG2-CD1 3.75Å; I141-L191 HydrophobicContact CG2-CD2 4.2Å
142	K	97.6	Very high	93.8	Very high	73 Å²	73	37.1 Å²	37.1	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-55.2	-39.9	179.6	-174.9	-178	180	-174.7	0	111.8	L138 K139 G140 K144 L145 D190 L191 A194	L138-K142 WeakPolarHBondContact O-CB 3.38Å; L138-K142 PolarHBondContact O-N 2.89Å; K139-K142 WeakPolarHBondContact O-CB 3.31Å; K139-K142 PolarHBondContact O-N 3.14Å; G140-K142 PolarHBondContact O-N 3.04Å; K142-K144 VanDerWaalsContact C-N 3.25Å; K142-K144 PolarHBondContact O-N 3.37Å; K142-L145 HydrophobicContact CG-CD1 4.4Å; K142-L145 WeakPolarHBondContact O-CG 3.45Å; K142-L145 PolarHBondContact O-N 2.95Å; K142-D190 HydrophobicContact CD-CB 4.42Å; K142-D190 IonicContact NZ-OD2 2.7Å; K142-D190 PolarHBondContact NZ-OD2 3.12Å; K142-L191 HydrophobicContact CB-CD1 3.97Å; K142-A194 HydrophobicContact CD-CB 4.38Å; K142-A194 HydrophobicContact CG-CB 3.95Å
143	S	96.5	Very high	94.3	Very high	68 Å²	68	32.1 Å²	32.1	48%	0.476	17%	0.165	S	C	.	.	H	α-helix	trans	-64.2	-28.7	179	81.4	0	0	0	0	113.4	K139 G140 I141	K139-S143 PolarHBondContact O-N 2.87Å; G140-S143 WeakPolarHBondContact O-CB 3.43Å; G140-S143 PolarHBondContact O-N 2.92Å; G140-S143 PolarHBondContact O-OG 3.21Å; I141-S143 PolarHBondContact O-N 3.3Å
144	K	96.1	Very high	94.5	Very high	48 Å²	48	30 Å²	30	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-95.9	-0.4	-176.1	-60.7	-59.2	-176	-178.2	0	114.4	F127 A128 G140 I141 K142 V146 E147 L148 W412	F127-K144 HydrophobicContact CE1-CB 3.95Å; F127-K144 HydrophobicContact CE1-CG 4.29Å; F127-K144 HydrophobicContact CZ-CB 4.4Å; A128-K144 HydrophobicContact CB-CG 4.08Å; G140-K144 WeakPolarHBondContact O-CG 3.47Å; G140-K144 PolarHBondContact O-N 2.63Å; I141-K144 PolarHBondContact O-N 3.3Å; K142-K144 VanDerWaalsContact C-N 3.25Å; K142-K144 PolarHBondContact O-N 3.37Å; K144-V146 PolarHBondContact O-N 3.26Å; K144-E147 WeakPolarHBondContact CA-OE2 3.28Å; K144-E147 PolarHBondContact O-N 2.76Å; K144-L148 WeakPolarHBondContact O-CG 3.49Å; K144-L148 PolarHBondContact O-N 3.18Å; K144-W412 HydrophobicContact CB-CH2 3.6Å; K144-W412 HydrophobicContact CB-CZ2 3.66Å; K144-W412 HydrophobicContact CB-CZ3 4.45Å; K144-W412 HydrophobicContact CD-CD2 3.98Å; K144-W412 HydrophobicContact CD-CE3 3.97Å; K144-W412 HydrophobicContact CD-CH2 3.73Å; K144-W412 HydrophobicContact CD-CZ2 3.7Å; K144-W412 HydrophobicContact CD-CZ3 3.86Å; K144-W412 HydrophobicContact CG-CD2 4.48Å; K144-W412 HydrophobicContact CG-CH2 3.71Å; K144-W412 HydrophobicContact CG-CZ2 3.39Å; K144-W412 HydrophobicContact CG-CZ3 4.36Å
145	L	97.2	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-31.1	-179.8	-71.7	177	0	0	0	113.1	I141 K142 S149 I156 L191 A194	I141-L145 PolarHBondContact O-N 2.58Å; K142-L145 HydrophobicContact CG-CD1 4.4Å; K142-L145 WeakPolarHBondContact O-CG 3.45Å; K142-L145 PolarHBondContact O-N 2.95Å; L145-S149 VanDerWaalsContact O-CB 3.29Å; L145-S149 WeakPolarHBondContact O-CB 3.3Å; L145-S149 PolarHBondContact O-N 2.99Å; L145-I156 HydrophobicContact CD2-CD1 4.03Å; L145-I156 HydrophobicContact CD2-CG2 4.43Å; L145-L191 HydrophobicContact CD1-CD1 4.08Å; L145-L191 HydrophobicContact CD2-CD1 4.4Å; L145-L191 HydrophobicContact CG-CD1 4.44Å; L145-A194 HydrophobicContact CD1-CB 3.72Å
146	V	96.3	Very high	95.4	Very high	82 Å²	82	30 Å²	30	50%	0.497	15%	0.153	S	C	.	.	H	α-helix	trans	-66.8	-44.7	178.7	176.5	0	0	0	0	110.3	K144 S149 R150 R198	K144-V146 PolarHBondContact O-N 3.26Å; V146-S149 PolarHBondContact O-N 3.47Å; V146-R150 WeakPolarHBondContact O-CB 3.41Å; V146-R150 PolarHBondContact O-N 3.47Å; V146-R198 VanDerWaalsContact CG2-NH2 3.29Å
147	E	95.4	Very high	95.6	Very high	48 Å²	48	30.1 Å²	30.1	22%	0.224	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-46.5	177.9	-69.7	84.4	166.3	0	0	111.3	K144 R150 I151 W412 F440	K144-E147 WeakPolarHBondContact CA-OE2 3.28Å; K144-E147 PolarHBondContact O-N 2.76Å; E147-R150 WeakPolarHBondContact O-CB 3.32Å; E147-R150 PolarHBondContact O-N 2.68Å; E147-I151 PolarHBondContact O-N 2.8Å; E147-W412 HydrophobicContact CB-CH2 4.44Å; E147-W412 HydrophobicContact CB-CZ3 4.02Å; E147-W412 HydrophobicContact CG-CZ3 4.31Å; E147-F440 HydrophobicContact CB-CE1 3.84Å; E147-F440 HydrophobicContact CB-CZ 3.77Å; E147-F440 HydrophobicContact CG-CE1 3.93Å; E147-F440 HydrophobicContact CG-CZ 4.37Å
148	L	96	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-46.5	176.4	-67.6	-178.7	0	0	0	111.8	Y120 I122 F127 K144 R150 I151 G152 I153 I156 M200	Y120-L148 HydrophobicContact CD1-CD1 4.34Å; Y120-L148 HydrophobicContact CD1-CD2 4.05Å; Y120-L148 HydrophobicContact CE1-CD1 4.4Å; Y120-L148 HydrophobicContact CE1-CD2 3.59Å; I122-L148 HydrophobicContact CD1-CD1 4.09Å; F127-L148 HydrophobicContact CZ-CD1 4.03Å; F127-L148 HydrophobicContact CZ-CD2 4.22Å; F127-L148 HydrophobicContact CZ-CG 4.42Å; K144-L148 WeakPolarHBondContact O-CG 3.49Å; K144-L148 PolarHBondContact O-N 3.18Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.36Å; L148-I151 HydrophobicContact CD2-CD1 4.46Å; L148-I151 WeakPolarHBondContact O-CG1 3.18Å; L148-I151 PolarHBondContact O-N 3.48Å; L148-G152 PolarHBondContact O-N 2.74Å; L148-I153 HydrophobicContact CB-CB 4.17Å; L148-I153 HydrophobicContact CB-CG1 4.49Å; L148-I153 HydrophobicContact CD2-CG1 4.35Å; L148-I153 WeakPolarHBondContact O-CB 3.45Å; L148-I153 PolarHBondContact O-N 2.77Å; L148-I156 HydrophobicContact CD1-CG2 3.91Å; L148-M200 HydrophobicContact CB-CE 4.47Å
149	S	94.8	Very high	95.3	Very high	49 Å²	49	29.9 Å²	29.9	34%	0.343	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-40.4	176.2	-177.7	0	0	0	0	111.8	L145 V146 I151 G152	L145-S149 VanDerWaalsContact O-CB 3.29Å; L145-S149 WeakPolarHBondContact O-CB 3.3Å; L145-S149 PolarHBondContact O-N 2.99Å; V146-S149 PolarHBondContact O-N 3.47Å; S149-I151 VanDerWaalsContact C-N 3.33Å; S149-I151 PolarHBondContact O-N 2.92Å; S149-G152 PolarHBondContact O-N 2.72Å
150	R	94.2	Very high	94.9	Very high	113 Å²	113	25.4 Å²	25.4	43%	0.426	14%	0.137	S	C	.	.	H	α-helix	trans	-63.2	-35.9	-179.2	-174.5	179.8	64	-166.8	-10.3	113.3	V146 E147 L148 K459	V146-R150 WeakPolarHBondContact O-CB 3.41Å; V146-R150 PolarHBondContact O-N 3.47Å; E147-R150 WeakPolarHBondContact O-CB 3.32Å; E147-R150 PolarHBondContact O-N 2.68Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.36Å; R150-K459 WeakPolarHBondContact O-CE 3.43Å; R150-K459 PolarHBondContact O-NZ 3.1Å
151	I	94.4	Very high	94.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.5	177.2	64.6	161.2	0	0	0	112.8	E147 L148 S149 I153 E399 F440 L451 F454 T455 A458	E147-I151 PolarHBondContact O-N 2.8Å; L148-I151 HydrophobicContact CD2-CD1 4.46Å; L148-I151 WeakPolarHBondContact O-CG1 3.18Å; L148-I151 PolarHBondContact O-N 3.48Å; S149-I151 VanDerWaalsContact C-N 3.33Å; S149-I151 PolarHBondContact O-N 2.92Å; I151-I153 HydrophobicContact CD1-CD1 4.42Å; I151-I153 HydrophobicContact CD1-CG1 3.81Å; I151-I153 HydrophobicContact CG1-CG1 3.96Å; I151-E399 HydrophobicContact CD1-CG 4.13Å; I151-F440 HydrophobicContact CD1-CE2 4.21Å; I151-F440 HydrophobicContact CG2-CE2 3.87Å; I151-F440 HydrophobicContact CG2-CZ 3.77Å; I151-L451 HydrophobicContact CD1-CD1 4.38Å; I151-L451 HydrophobicContact CG2-CD1 4.08Å; I151-L451 HydrophobicContact CG2-CG 4.48Å; I151-F454 HydrophobicContact CD1-CD1 4.42Å; I151-F454 HydrophobicContact CD1-CE1 4.01Å; I151-T455 WeakPolarHBondContact O-CA 3.26Å; I151-A458 WeakPolarHBondContact O-CB 3.24Å
152	G	93.4	Very high	94.7	Very high	7 Å²	7	25.8 Å²	25.8	7%	0.072	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	19	176.2	0	0	0	0	0	114.4	L148 S149 Q154	L148-G152 PolarHBondContact O-N 2.74Å; S149-G152 PolarHBondContact O-N 2.72Å; G152-Q154 PolarHBondContact O-NE2 3.04Å; G152-Q154 PolarHBondContact O-OE1 2.99Å
153	I	94.9	Very high	94.5	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.137	C	C	.	.			trans	-71.9	134.1	166.4	-61.2	-52.6	0	0	0	108.9	Y120 L148 I151 I156 M200 F454	Y120-I153 VanDerWaalsContact CB-CG2 3.48Å; Y120-I153 HydrophobicContact CD2-CD1 3.58Å; Y120-I153 HydrophobicContact CD2-CG1 3.96Å; Y120-I153 HydrophobicContact CE2-CD1 4.25Å; Y120-I153 HydrophobicContact CE2-CG1 4.46Å; Y120-I153 HydrophobicContact CG-CD1 4.06Å; Y120-I153 HydrophobicContact CG-CG1 4.12Å; Y120-I153 HydrophobicContact CG-CG2 4.06Å; L148-I153 HydrophobicContact CB-CB 4.17Å; L148-I153 HydrophobicContact CB-CG1 4.49Å; L148-I153 HydrophobicContact CD2-CG1 4.35Å; L148-I153 WeakPolarHBondContact O-CB 3.45Å; L148-I153 PolarHBondContact O-N 2.77Å; I151-I153 HydrophobicContact CD1-CD1 4.42Å; I151-I153 HydrophobicContact CD1-CG1 3.81Å; I151-I153 HydrophobicContact CG1-CG1 3.96Å; I153-I156 HydrophobicContact CG2-CG2 4.39Å; I153-M200 HydrophobicContact CG2-CE 4.15Å; I153-F454 HydrophobicContact CD1-CE1 3.86Å; I153-F454 HydrophobicContact CD1-CZ 3.64Å
154	Q	92.5	Very high	94.2	Very high	15 Å²	15	22.4 Å²	22.4	7%	0.07	12%	0.117	C	C	.	.			trans	-119.8	-16.8	-179.8	-52.4	102	3.5	0	0	114	R117 L118 G152 M200 Y201	R117-Q154 HydrophobicContact CB-CB 4.28Å; R117-Q154 HydrophobicContact CG-CB 4.31Å; L118-Q154 VanDerWaalsContact N-OE1 3.08Å; G152-Q154 PolarHBondContact O-NE2 3.04Å; G152-Q154 PolarHBondContact O-OE1 2.99Å; Q154-M200 CarbonylContact O-C 3.54Å; Q154-M200 WeakPolarHBondContact O-CA 3.47Å; Q154-M200 VanDerWaalsContact O-CB 3.3Å; Q154-M200 WeakPolarHBondContact O-CB 3.43Å; Q154-Y201 PolarHBondContact O-N 3.43Å
155	T	94.8	Very high	93.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128	176.7	-47.8	0	0	0	0	108.3	W113 L118 Y120 Y201 V203	W113-T155 HydrophobicContact CH2-CG2 4.17Å; W113-T155 HydrophobicContact CZ3-CG2 3.66Å; W113-T155 WeakPolarHBondContact CZ3-OG1 3.02Å; L118-T155 WeakPolarHBondContact O-CB 2.94Å; L118-T155 PolarHBondContact O-N 2.83Å; L118-T155 VanDerWaalsContact O-N 3.08Å; L118-T155 PolarHBondContact O-OG1 3.03Å; Y120-T155 WeakPolarHBondContact CB-O 3.19Å; Y120-T155 PolarHBondContact N-O 2.86Å; T155-Y201 CarbonylContact C-O 3.55Å; T155-Y201 VanDerWaalsContact CA-O 3.29Å; T155-Y201 WeakPolarHBondContact CA-O 3.47Å; T155-V203 HydrophobicContact CG2-CB 4.35Å; T155-V203 HydrophobicContact CG2-CG2 3.52Å
156	I	96.4	Very high	92.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.5	170	60	167.5	0	0	0	109.7	I122 I141 L145 L148 I153 P158 L191 T195 M200 Y201 V202 V203	I122-I156 HydrophobicContact CD1-CB 4.04Å; I122-I156 HydrophobicContact CD1-CG2 3.99Å; I141-I156 HydrophobicContact CG2-CD1 4.25Å; L145-I156 HydrophobicContact CD2-CD1 4.03Å; L145-I156 HydrophobicContact CD2-CG2 4.43Å; L148-I156 HydrophobicContact CD1-CG2 3.91Å; I153-I156 HydrophobicContact CG2-CG2 4.39Å; I156-P158 HydrophobicContact CD1-CG 4.15Å; I156-P158 HydrophobicContact CG1-CG 4.49Å; I156-L191 HydrophobicContact CD1-CD1 4.12Å; I156-L191 HydrophobicContact CD1-CD2 4.42Å; I156-L191 HydrophobicContact CD1-CG 4.36Å; I156-T195 HydrophobicContact CD1-CG2 4.19Å; I156-T195 HydrophobicContact CG1-CG2 4.09Å; I156-M200 HydrophobicContact CG2-CE 3.93Å; I156-Y201 PolarHBondContact N-O 3.3Å; I156-V202 HydrophobicContact CD1-CG2 4.31Å; I156-V202 HydrophobicContact CG1-CG2 4.15Å; I156-V203 PolarHBondContact O-N 2.91Å
157	R	95.1	Very high	90.9	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	85.2	173.2	178.9	-177.2	164.8	-149.9	-11.5	109.8	Y120 Q121 I122 S159 V203 D205 F294 D393	Y120-R157 PolarHBondContact O-N 2.83Å; Q121-R157 WeakPolarHBondContact CA-O 3.5Å; I122-R157 PolarHBondContact N-O 2.93Å; R157-S159 PolarHBondContact O-N 2.92Å; R157-V203 VanDerWaalsContact CA-O 3.27Å; R157-V203 WeakPolarHBondContact CA-O 3.46Å; R157-V203 HydrophobicContact CB-CB 4.11Å; R157-V203 HydrophobicContact CB-CG1 4.45Å; R157-V203 HydrophobicContact CG-CB 4.2Å; R157-V203 HydrophobicContact CG-CG1 4.05Å; R157-D205 IonicContact CZ-OD1 3.62Å; R157-D205 IonicContact NE-OD1 2.78Å; R157-D205 PolarHBondContact NE-OD1 2.88Å; R157-D205 IonicContact NH2-OD1 3.63Å; R157-D205 PolarHBondContact NH2-OD1 2.91Å; R157-D205 IonicContact NH2-OD2 3.62Å; R157-F294 VanDerWaalsContact CZ-CD2 3.46Å; R157-F294 VanDerWaalsContact NH1-CE2 3.26Å; R157-F294 VanDerWaalsContact NH2-CG 3.29Å; R157-D393 IonicContact CZ-OD2 3.2Å; R157-D393 IonicContact NH1-OD2 2.82Å; R157-D393 PolarHBondContact NH1-OD2 3Å
158	P	95.1	Very high	89.7	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	122.6	173.5	-18.7	33	0	0	0	110.5	I141 I156 I161 L191 V203	I141-P158 HydrophobicContact CD1-CB 4.13Å; I141-P158 HydrophobicContact CD1-CG 4.45Å; I156-P158 HydrophobicContact CD1-CG 4.15Å; I156-P158 HydrophobicContact CG1-CG 4.49Å; P158-I161 HydrophobicContact CB-CD1 4.49Å; P158-I161 HydrophobicContact CB-CG2 3.88Å; P158-L191 HydrophobicContact CG-CD2 4.17Å; P158-V203 WeakPolarHBondContact CD-O 3.32Å
159	S	91.2	Very high	88.7	Confident	6 Å²	6	21.7 Å²	21.7	4%	0.042	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.6	175.9	63.6	0	0	0	0	110.1	I122 W123 T124 R157 I161 D205	I122-S159 PolarHBondContact O-N 3.38Å; I122-S159 PolarHBondContact O-OG 3.16Å; W123-S159 VanDerWaalsContact CA-OG 3.31Å; W123-S159 WeakPolarHBondContact CA-OG 3.25Å; T124-S159 WeakPolarHBondContact CB-O 3.38Å; T124-S159 PolarHBondContact N-O 3.15Å; T124-S159 VanDerWaalsContact N-O 3.09Å; T124-S159 PolarHBondContact OG1-O 3.08Å; R157-S159 PolarHBondContact O-N 2.92Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.41Å; S159-D205 WeakPolarHBondContact CB-OD2 3.14Å
160	G	88.6	Confident	87.9	Confident	14 Å²	14	22.9 Å²	22.9	14%	0.144	13%	0.13	C	C	.	.	S	Bend	trans	68.5	28.7	-177.4	0	0	0	0	0	114.1	F169	G160-F169 WeakPolarHBondContact O-CD1 3.27Å
161	I	94.3	Very high	87.4	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.01	12%	0.116	C	C	.	.			trans	-100.3	-18.9	-178.5	74.4	170.1	0	0	0	114.3	T124 L138 P158 S159 I178 D179 V182 F188 L204	T124-I161 HydrophobicContact CG2-CG2 4.21Å; T124-I161 WeakPolarHBondContact OG1-CG2 3.39Å; L138-I161 HydrophobicContact CD2-CB 4.48Å; L138-I161 HydrophobicContact CD2-CG2 3.89Å; P158-I161 HydrophobicContact CB-CD1 4.49Å; P158-I161 HydrophobicContact CB-CG2 3.88Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.41Å; I161-I178 HydrophobicContact CB-CD1 4.31Å; I161-I178 HydrophobicContact CD1-CD1 3.75Å; I161-I178 HydrophobicContact CG1-CD1 4.02Å; I161-I178 CarbonylContact O-C 3.6Å; I161-I178 VanDerWaalsContact O-CA 3.32Å; I161-I178 WeakPolarHBondContact O-CA 3.38Å; I161-D179 PolarHBondContact O-N 3.5Å; I161-V182 HydrophobicContact CB-CG2 4.21Å; I161-F188 HydrophobicContact CD1-CD2 3.75Å; I161-F188 HydrophobicContact CD1-CE2 3.6Å; I161-L204 HydrophobicContact CD1-CD1 3.27Å; I161-L204 HydrophobicContact CG1-CD1 3.76Å
162	L	94.6	Very high	87.2	Confident	8 Å²	8	18.7 Å²	18.7	4%	0.042	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-75.3	147.7	-178.2	-63.2	177.9	0	0	0	110.4	N164 I172 K177 P207 W285	L162-N164 PolarHBondContact O-N 2.91Å; L162-N164 PolarHBondContact O-ND2 2.93Å; L162-N164 VanDerWaalsContact O-ND2 3.12Å; L162-I172 HydrophobicContact CB-CG2 4.17Å; L162-K177 WeakPolarHBondContact CA-O 3.49Å; L162-P207 HydrophobicContact CD1-CG 4.06Å; L162-W285 HydrophobicContact CD2-CZ2 3.64Å
163	Q	93.5	Very high	87.1	Confident	58 Å²	58	19.5 Å²	19.5	27%	0.271	12%	0.12	S	C	.	.			trans	-56.4	128.7	178.6	-170.4	178.2	27.5	0	0	110.2	I172 T173 S174 K177	Q163-I172 CarbonylContact O-C 3.53Å; Q163-I172 WeakPolarHBondContact O-CA 3.34Å; Q163-T173 PolarHBondContact O-N 3.3Å; Q163-T173 PolarHBondContact O-OG1 3.47Å; Q163-S174 PolarHBondContact O-N 3.16Å; Q163-K177 HydrophobicContact CB-CB 3.9Å; Q163-K177 PolarHBondContact N-O 3.25Å
164	N	88.8	Confident	87.1	Confident	12 Å²	12	20.1 Å²	20.1	6%	0.064	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-140	161.3	-177.2	67.5	90	0	0	0	111.5	L162 G166 F169 D171 D179 R181	L162-N164 PolarHBondContact O-N 2.91Å; L162-N164 PolarHBondContact O-ND2 2.93Å; L162-N164 VanDerWaalsContact O-ND2 3.12Å; N164-G166 PolarHBondContact OD1-N 3.14Å; N164-G166 PolarHBondContact OD1-O 3.43Å; N164-F169 WeakPolarHBondContact ND2-CD1 3.44Å; N164-D171 CarbonylContact C-O 3.53Å; N164-D171 WeakPolarHBondContact CA-O 3.41Å; N164-D171 VanDerWaalsContact CB-O 3.22Å; N164-D171 WeakPolarHBondContact CB-O 3.39Å; N164-D179 PolarHBondContact N-OD2 3.28Å; N164-D179 PolarHBondContact ND2-OD2 3.13Å; N164-R181 PolarHBondContact ND2-NH2 3.45Å; N164-R181 PolarHBondContact OD1-NH2 3.22Å
165	A	81.2	Confident	87.2	Confident	56 Å²	56	19.6 Å²	19.6	46%	0.463	12%	0.122	S	C	.	.	S	Bend	trans	-93.1	-13	179.9	0	0	0	0	0	113.5	D171 T173	A165-D171 PolarHBondContact N-O 3.16Å; A165-T173 HydrophobicContact CB-CG2 3.74Å
166	G	72.5	Confident	87.2	Confident	19 Å²	19	22.1 Å²	22.1	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-106.1	179.4	-168.1	0	0	0	0	0	114.3	N164 R181	N164-G166 PolarHBondContact OD1-N 3.14Å; N164-G166 PolarHBondContact OD1-O 3.43Å; G166-R181 PolarHBondContact O-NH1 3.37Å; G166-R181 PolarHBondContact O-NH2 3.46Å; G166-R181 VanDerWaalsContact O-NH2 3.15Å
167	V	67.8	Low	87.1	Confident	65 Å²	65	27.8 Å²	27.8	39%	0.394	16%	0.162	S	C	.	.	S	Bend	trans	-83.5	-30.4	175.1	-175.9	0	0	0	0	111.2	F169	V167-F169 WeakPolarHBondContact O-CD2 3.32Å; V167-F169 VanDerWaalsContact O-CE2 3.31Å; V167-F169 WeakPolarHBondContact O-CE2 3.48Å; V167-F169 PolarHBondContact O-N 2.93Å
168	G	69.7	Low	87.2	Confident	9 Å²	9	28.4 Å²	28.4	9%	0.093	17%	0.165	C	C	.	.	S	Bend	trans	-86.5	1.4	-174.5	0	0	0	0	0	117.3	E170 E428	G168-E170 PolarHBondContact O-N 3.15Å; G168-E428 WeakPolarHBondContact CA-OE1 3.41Å; G168-E428 WeakPolarHBondContact CA-OE2 3.32Å; G168-E428 PolarHBondContact N-OE1 3.34Å
169	F	75.4	Confident	87.1	Confident	14 Å²	14	28.5 Å²	28.5	6%	0.061	17%	0.166	C	C	.	.	S	Bend	trans	61.5	7.4	-178.6	-57	-100.1	0	0	0	115.9	P125 V135 G160 N164 V167 D179 V182	P125-F169 HydrophobicContact CB-CD2 4.29Å; P125-F169 HydrophobicContact CB-CE2 3.83Å; P125-F169 HydrophobicContact CB-CZ 4.24Å; P125-F169 HydrophobicContact CG-CD1 4.12Å; P125-F169 HydrophobicContact CG-CD2 3.44Å; P125-F169 VanDerWaalsContact CG-CD2 3.44Å; P125-F169 HydrophobicContact CG-CE1 4.04Å; P125-F169 HydrophobicContact CG-CE2 3.32Å; P125-F169 HydrophobicContact CG-CG 3.86Å; P125-F169 HydrophobicContact CG-CZ 3.64Å; V135-F169 HydrophobicContact CG1-CZ 4.19Å; G160-F169 WeakPolarHBondContact O-CD1 3.27Å; N164-F169 WeakPolarHBondContact ND2-CD1 3.44Å; V167-F169 WeakPolarHBondContact O-CD2 3.32Å; V167-F169 VanDerWaalsContact O-CE2 3.31Å; V167-F169 WeakPolarHBondContact O-CE2 3.48Å; V167-F169 PolarHBondContact O-N 2.93Å; F169-D179 HydrophobicContact CE1-CB 4.43Å; F169-V182 HydrophobicContact CD1-CG1 4.48Å; F169-V182 HydrophobicContact CE1-CG1 3.8Å; F169-V182 HydrophobicContact CZ-CG1 4.4Å
170	E	77.5	Confident	87.2	Confident	75 Å²	75	33 Å²	33	35%	0.35	20%	0.195	S	C	.	.			trans	-88.6	-23.9	173.5	-57	-165.7	156.9	0	0	112.6	G168 I172 K259	G168-E170 PolarHBondContact O-N 3.15Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 2.87Å; E170-K259 IonicContact OE1-NZ 2.72Å; E170-K259 IonicContact OE2-NZ 3.98Å; E170-K259 PolarHBondContact OE2-NZ 3.16Å
171	D	82.9	Confident	87.3	Confident	22 Å²	22	35.4 Å²	35.4	12%	0.118	20%	0.2	C	C	.	.	S	Bend	trans	-85.2	60.9	-172	-161.1	18.1	0	0	0	112.6	N164 A165 S211 K263 V264	N164-D171 CarbonylContact C-O 3.53Å; N164-D171 WeakPolarHBondContact CA-O 3.41Å; N164-D171 VanDerWaalsContact CB-O 3.22Å; N164-D171 WeakPolarHBondContact CB-O 3.39Å; A165-D171 PolarHBondContact N-O 3.16Å; D171-S211 WeakPolarHBondContact OD1-CA 3.42Å; D171-S211 WeakPolarHBondContact OD1-CB 3.41Å; D171-S211 PolarHBondContact OD1-OG 2.74Å; D171-S211 PolarHBondContact OD2-OG 3.45Å; D171-K263 VanDerWaalsContact OD1-O 3.11Å; D171-V264 HydrophobicContact CB-CG1 4.32Å; D171-V264 WeakPolarHBondContact OD1-CG1 3.37Å
172	I	90.5	Very high	87.2	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-65.1	139.1	-168.6	66	155.1	0	0	0	113.4	L162 Q163 E170 H175 P207 V209 T210 S211 H214	L162-I172 HydrophobicContact CB-CG2 4.17Å; Q163-I172 CarbonylContact O-C 3.53Å; Q163-I172 WeakPolarHBondContact O-CA 3.34Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 2.87Å; I172-H175 WeakPolarHBondContact CD1-NE2 3.46Å; I172-P207 HydrophobicContact CD1-CB 3.75Å; I172-P207 HydrophobicContact CD1-CG 3.88Å; I172-P207 HydrophobicContact CG1-CB 4.41Å; I172-P207 HydrophobicContact CG2-CG 4.31Å; I172-V209 WeakPolarHBondContact CD1-O 3.49Å; I172-V209 WeakPolarHBondContact CG1-O 3.47Å; I172-T210 HydrophobicContact CD1-CG2 4.41Å; I172-S211 WeakPolarHBondContact O-CB 3.37Å; I172-S211 PolarHBondContact O-N 3.19Å; I172-H214 PolarHBondContact O-CD2 3.26Å
173	T	92.2	Very high	87.2	Confident	24 Å²	24	36 Å²	36	15%	0.147	21%	0.207	C	C	.	.	S	Bend	trans	-117	-5.4	177.7	53.8	0	0	0	0	113.3	Q163 A165 N213 H214 P215	Q163-T173 PolarHBondContact O-N 3.3Å; Q163-T173 PolarHBondContact O-OG1 3.47Å; A165-T173 HydrophobicContact CB-CG2 3.74Å; T173-N213 HydrophobicContact CG2-CB 4.38Å; T173-H214 VanDerWaalsContact CA-CD2 3.42Å; T173-H214 WeakPolarHBondContact CA-CD2 3.43Å; T173-H214 PolarHBondContact O-CD2 3.41Å; T173-H214 VanDerWaalsContact O-CD2 3.27Å; T173-H214 PolarHBondContact O-NE2 2.88Å; T173-P215 VanDerWaalsContact O-CD 3.32Å; T173-P215 WeakPolarHBondContact O-CD 3.42Å
174	S	94	Very high	87.3	Confident	14 Å²	14	35.6 Å²	35.6	10%	0.098	21%	0.211	C	C	.	.			trans	-159.8	132.4	172.6	171.7	0	0	0	0	111.7	Q163 V176 K177	Q163-S174 PolarHBondContact O-N 3.16Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact OG-N 3.18Å; S174-K177 WeakPolarHBondContact OG-CB 3.5Å; S174-K177 WeakPolarHBondContact OG-CG 3.17Å; S174-K177 PolarHBondContact OG-N 3.42Å
175	H	94.2	Very high	87.7	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	22%	0.223	C	C	.	.	S	Bend	trans	-78.1	-10.8	173.6	-62.8	74.1	0	0	0	114.6	I172 P207 H214 W216 A281 W285	I172-H175 WeakPolarHBondContact CD1-NE2 3.46Å; H175-P207 PolarHBondContact NE2-O 3.18Å; H175-P207 VanDerWaalsContact NE2-O 3.08Å; H175-H214 AromaticContact CE1-NE2 3.89Å; H175-H214 AromaticContact ND1-NE2 3.57Å; H175-W216 AromaticContact CE1-CH2 3.49Å; H175-W216 VanDerWaalsContact CE1-CH2 3.49Å; H175-W216 WeakPolarHBondContact CE1-CH2 3.17Å; H175-W216 AromaticContact CE1-CZ3 3.18Å; H175-W216 WeakPolarHBondContact CE1-CZ3 3.07Å; H175-W216 AromaticContact CG-CH2 3.98Å; H175-W216 AromaticContact ND1-CH2 3.24Å; H175-W216 WeakPolarHBondContact ND1-CH2 3.08Å; H175-W216 AromaticContact ND1-CZ3 3.44Å; H175-W216 WeakPolarHBondContact ND1-CZ3 3.25Å; H175-A281 HydrophobicContact CB-CB 3.73Å; H175-W285 PolarHBondContact O-NE1 2.98Å
176	V	95.1	Very high	88.5	Confident	55 Å²	55	40.6 Å²	40.6	33%	0.333	23%	0.226	S	C	.	.	S	Bend	trans	-123.6	9.4	-171.2	-62	0	0	0	0	113.6	S174 A281 F284	S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact OG-N 3.18Å; V176-A281 HydrophobicContact CG1-CB 4.01Å; V176-F284 HydrophobicContact CB-CD1 4.03Å; V176-F284 HydrophobicContact CB-CE1 4.1Å; V176-F284 HydrophobicContact CB-CG 4.25Å; V176-F284 HydrophobicContact CB-CZ 4.37Å; V176-F284 HydrophobicContact CG1-CB 4.23Å; V176-F284 HydrophobicContact CG1-CD1 4.1Å; V176-F284 HydrophobicContact CG1-CG 4.08Å; V176-F284 WeakPolarHBondContact O-CE1 3.29Å; V176-F284 WeakPolarHBondContact O-CZ 3.32Å
177	K	95.6	Very high	89.7	Confident	119 Å²	119	40.9 Å²	40.9	52%	0.517	22%	0.223	S	C	.	.			trans	-122.3	140.5	177.9	-68.9	177	177	178.9	0	109.8	L162 Q163 S174	L162-K177 WeakPolarHBondContact CA-O 3.49Å; Q163-K177 HydrophobicContact CB-CB 3.9Å; Q163-K177 PolarHBondContact N-O 3.25Å; S174-K177 WeakPolarHBondContact OG-CB 3.5Å; S174-K177 WeakPolarHBondContact OG-CG 3.17Å; S174-K177 PolarHBondContact OG-N 3.42Å
178	I	95.8	Very high	91.1	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.082	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-78.7	142.6	170	-62.6	-62.7	0	0	0	109	L138 I161 V182 G183 L185 F188 W285	L138-I178 HydrophobicContact CD1-CG2 4.02Å; I161-I178 HydrophobicContact CB-CD1 4.31Å; I161-I178 HydrophobicContact CD1-CD1 3.75Å; I161-I178 HydrophobicContact CG1-CD1 4.02Å; I161-I178 CarbonylContact O-C 3.6Å; I161-I178 VanDerWaalsContact O-CA 3.32Å; I161-I178 WeakPolarHBondContact O-CA 3.38Å; I178-V182 HydrophobicContact CG2-CG2 3.71Å; I178-G183 WeakPolarHBondContact CG2-O 3.32Å; I178-L185 HydrophobicContact CG1-CD1 4.27Å; I178-F188 HydrophobicContact CD1-CB 4.23Å; I178-F188 HydrophobicContact CD1-CD2 4.08Å; I178-F188 HydrophobicContact CD1-CG 4.28Å; I178-F188 HydrophobicContact CG1-CB 4.26Å; I178-W285 HydrophobicContact CD1-CH2 3.51Å; I178-W285 HydrophobicContact CD1-CZ2 4.42Å; I178-W285 HydrophobicContact CD1-CZ3 4.1Å; I178-W285 HydrophobicContact CG1-CH2 3.96Å
179	D	93.8	Very high	92.5	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.212	C	C	.	.			trans	-66.9	125.9	172.2	-166.4	-73.6	0	0	0	110	I161 N164 F169 R181 V182 G183	I161-D179 PolarHBondContact O-N 3.5Å; N164-D179 PolarHBondContact N-OD2 3.28Å; N164-D179 PolarHBondContact ND2-OD2 3.13Å; F169-D179 HydrophobicContact CE1-CB 4.43Å; D179-R181 PolarHBondContact O-N 3.47Å; D179-R181 WeakPolarHBondContact OD1-CB 2.99Å; D179-R181 WeakPolarHBondContact OD1-CG 3.32Å; D179-R181 IonicContact OD1-CZ 3.86Å; D179-R181 PolarHBondContact OD1-N 3.3Å; D179-R181 IonicContact OD1-NE 3.11Å; D179-R181 PolarHBondContact OD1-NE 3.12Å; D179-R181 IonicContact OD1-NH2 3.58Å; D179-R181 IonicContact OD2-CZ 3.71Å; D179-R181 IonicContact OD2-NE 3.75Å; D179-R181 IonicContact OD2-NH2 2.8Å; D179-R181 PolarHBondContact OD2-NH2 3.23Å; D179-V182 HydrophobicContact CB-CG2 4.21Å; D179-V182 VanDerWaalsContact O-CG2 3.27Å; D179-V182 WeakPolarHBondContact O-CG2 3.35Å; D179-V182 PolarHBondContact O-N 3.01Å; D179-G183 PolarHBondContact O-N 2.98Å
180	P	93	Very high	93.6	Very high	100 Å²	100	41.9 Å²	41.9	65%	0.649	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.9	-175.8	25.1	-35.2	0	0	0	113.7	V182	P180-V182 VanDerWaalsContact C-N 3.33Å
181	R	90.3	Very high	94.6	Very high	65 Å²	65	38.3 Å²	38.3	25%	0.245	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.7	175.2	-64.2	170.2	-72.4	-177.9	-6.3	113.1	N164 G166 D179	N164-R181 PolarHBondContact ND2-NH2 3.45Å; N164-R181 PolarHBondContact OD1-NH2 3.22Å; G166-R181 PolarHBondContact O-NH1 3.37Å; G166-R181 PolarHBondContact O-NH2 3.46Å; G166-R181 VanDerWaalsContact O-NH2 3.15Å; D179-R181 PolarHBondContact O-N 3.47Å; D179-R181 WeakPolarHBondContact OD1-CB 2.99Å; D179-R181 WeakPolarHBondContact OD1-CG 3.32Å; D179-R181 IonicContact OD1-CZ 3.86Å; D179-R181 PolarHBondContact OD1-N 3.3Å; D179-R181 IonicContact OD1-NE 3.11Å; D179-R181 PolarHBondContact OD1-NE 3.12Å; D179-R181 IonicContact OD1-NH2 3.58Å; D179-R181 IonicContact OD2-CZ 3.71Å; D179-R181 IonicContact OD2-NE 3.75Å; D179-R181 IonicContact OD2-NH2 2.8Å; D179-R181 PolarHBondContact OD2-NH2 3.23Å
182	V	92.8	Very high	95.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.1	179.6	-54.5	0	0	0	0	113	T124 D137 L138 I161 F169 I178 D179 P180	T124-V182 HydrophobicContact CG2-CB 4.05Å; T124-V182 HydrophobicContact CG2-CG1 4.08Å; D137-V182 WeakPolarHBondContact CB-O 3.42Å; L138-V182 HydrophobicContact CG-CG2 4.46Å; L138-V182 WeakPolarHBondContact CG-O 3.39Å; L138-V182 PolarHBondContact N-O 3.38Å; I161-V182 HydrophobicContact CB-CG2 4.21Å; F169-V182 HydrophobicContact CD1-CG1 4.48Å; F169-V182 HydrophobicContact CE1-CG1 3.8Å; F169-V182 HydrophobicContact CZ-CG1 4.4Å; I178-V182 HydrophobicContact CG2-CG2 3.71Å; D179-V182 HydrophobicContact CB-CG2 4.21Å; D179-V182 VanDerWaalsContact O-CG2 3.27Å; D179-V182 WeakPolarHBondContact O-CG2 3.35Å; D179-V182 PolarHBondContact O-N 3.01Å; P180-V182 VanDerWaalsContact C-N 3.33Å
183	G	94.4	Very high	95.6	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	23%	0.225	C	C	.	.			trans	136.6	-162.9	174.6	0	0	0	0	0	114	I178 D179	I178-G183 WeakPolarHBondContact CG2-O 3.32Å; D179-G183 PolarHBondContact O-N 2.98Å
184	S	96.7	Very high	95.9	Very high	50 Å²	50	39.4 Å²	39.4	35%	0.35	23%	0.227	S	C	.	.			trans	-106.9	170.2	179.4	69.7	0	0	0	0	112	Q186 D187 F188	S184-Q186 PolarHBondContact O-N 3.2Å; S184-Q186 PolarHBondContact OG-N 3.23Å; S184-D187 WeakPolarHBondContact CB-OD2 3.31Å; S184-D187 PolarHBondContact N-OD2 2.83Å; S184-D187 WeakPolarHBondContact O-CB 3.32Å; S184-D187 PolarHBondContact O-N 2.8Å; S184-D187 VanDerWaalsContact O-N 3.15Å; S184-D187 PolarHBondContact OG-N 3.01Å; S184-D187 PolarHBondContact OG-OD2 2.88Å; S184-F188 PolarHBondContact O-N 2.62Å
185	L	96.7	Very high	96.1	Very high	59 Å²	59	38.7 Å²	38.7	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-33.5	171.4	-169.2	62.5	0	0	0	112.1	I178 D187 F188 D189 F284 W285	I178-L185 HydrophobicContact CG1-CD1 4.27Å; L185-D187 VanDerWaalsContact C-N 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.45Å; L185-F188 PolarHBondContact O-N 3.41Å; L185-D189 PolarHBondContact O-N 3.18Å; L185-F284 HydrophobicContact CD1-CE1 4.24Å; L185-F284 HydrophobicContact CD1-CZ 4.2Å; L185-F284 HydrophobicContact CD2-CZ 4.04Å; L185-W285 HydrophobicContact CD1-CH2 4.03Å; L185-W285 HydrophobicContact CD1-CZ3 3.87Å
186	Q	97.4	Very high	96.2	Very high	114 Å²	114	41.9 Å²	41.9	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-38.6	174.6	-176.4	61.2	55.3	0	0	111.4	S184 F188 D189 D190	S184-Q186 PolarHBondContact O-N 3.2Å; S184-Q186 PolarHBondContact OG-N 3.23Å; Q186-F188 PolarHBondContact O-N 3.13Å; Q186-D189 PolarHBondContact O-N 2.55Å; Q186-D190 PolarHBondContact NE2-OD1 3.29Å; Q186-D190 VanDerWaalsContact O-CB 3.29Å; Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 PolarHBondContact O-N 3.23Å
187	D	97.9	Very high	96.3	Very high	25 Å²	25	42.4 Å²	42.4	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-32.1	176.5	-59.3	-51.3	0	0	0	111.6	L138 K139 S184 L185 D190 L191	L138-D187 HydrophobicContact CB-CB 4.18Å; L138-D187 HydrophobicContact CD1-CB 4.24Å; K139-D187 WeakPolarHBondContact CE-OD1 3.32Å; K139-D187 IonicContact NZ-OD1 2.84Å; S184-D187 WeakPolarHBondContact CB-OD2 3.31Å; S184-D187 PolarHBondContact N-OD2 2.83Å; S184-D187 WeakPolarHBondContact O-CB 3.32Å; S184-D187 PolarHBondContact O-N 2.8Å; S184-D187 VanDerWaalsContact O-N 3.15Å; S184-D187 PolarHBondContact OG-N 3.01Å; S184-D187 PolarHBondContact OG-OD2 2.88Å; L185-D187 VanDerWaalsContact C-N 3.34Å; D187-D190 WeakPolarHBondContact O-CB 3.37Å; D187-L191 WeakPolarHBondContact O-CB 3.31Å; D187-L191 PolarHBondContact O-N 3.37Å
188	F	98	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-49.6	171.9	-177.8	-93.2	0	0	0	112	L138 I161 I178 S184 L185 Q186 D190 L191 V192 L204 W285 R288 V290	L138-F188 HydrophobicContact CD1-CB 3.9Å; L138-F188 HydrophobicContact CD1-CD2 4.47Å; I161-F188 HydrophobicContact CD1-CD2 3.75Å; I161-F188 HydrophobicContact CD1-CE2 3.6Å; I178-F188 HydrophobicContact CD1-CB 4.23Å; I178-F188 HydrophobicContact CD1-CD2 4.08Å; I178-F188 HydrophobicContact CD1-CG 4.28Å; I178-F188 HydrophobicContact CG1-CB 4.26Å; S184-F188 PolarHBondContact O-N 2.62Å; L185-F188 WeakPolarHBondContact O-CB 3.45Å; L185-F188 PolarHBondContact O-N 3.41Å; Q186-F188 PolarHBondContact O-N 3.13Å; F188-D190 PolarHBondContact O-N 2.72Å; F188-L191 WeakPolarHBondContact O-CB 3.18Å; F188-L191 PolarHBondContact O-N 3.19Å; F188-V192 HydrophobicContact CD1-CG2 4.03Å; F188-V192 HydrophobicContact CE1-CG2 3.58Å; F188-V192 HydrophobicContact CE2-CG2 4.45Å; F188-V192 HydrophobicContact CZ-CG2 3.83Å; F188-V192 WeakPolarHBondContact O-CG2 3.37Å; F188-V192 PolarHBondContact O-N 3.44Å; F188-L204 HydrophobicContact CE2-CD1 4.43Å; F188-W285 HydrophobicContact CD1-CE3 4.03Å; F188-W285 AromaticContact CD1-CZ3 3.62Å; F188-W285 HydrophobicContact CD1-CZ3 3.62Å; F188-W285 HydrophobicContact CD2-CZ3 4.35Å; F188-W285 AromaticContact CE1-CE3 3.49Å; F188-W285 HydrophobicContact CE1-CE3 3.49Å; F188-W285 VanDerWaalsContact CE1-CE3 3.49Å; F188-W285 AromaticContact CE1-CZ3 3.56Å; F188-W285 HydrophobicContact CE1-CZ3 3.56Å; F188-W285 HydrophobicContact CE2-CZ3 4.3Å; F188-W285 HydrophobicContact CG-CZ3 4.02Å; F188-W285 AromaticContact CZ-CE3 3.78Å; F188-W285 HydrophobicContact CZ-CE3 3.78Å; F188-W285 AromaticContact CZ-CZ3 3.91Å; F188-W285 HydrophobicContact CZ-CZ3 3.91Å; F188-R288 HydrophobicContact CE1-CB 4.45Å; F188-V290 HydrophobicContact CE1-CG2 3.94Å; F188-V290 HydrophobicContact CZ-CG2 3.58Å
189	D	97.9	Very high	96.2	Very high	49 Å²	49	44 Å²	44	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-39.9	178.4	-66.7	-24.2	0	0	0	111	L185 Q186 V192 G193 R288	L185-D189 PolarHBondContact O-N 3.18Å; Q186-D189 PolarHBondContact O-N 2.55Å; D189-V192 PolarHBondContact O-N 2.83Å; D189-G193 PolarHBondContact O-N 2.85Å; D189-R288 VanDerWaalsContact OD1-CD 3.25Å; D189-R288 WeakPolarHBondContact OD1-CD 3.41Å; D189-R288 WeakPolarHBondContact OD1-CG 3.49Å; D189-R288 IonicContact OD1-NE 2.9Å
190	D	98	Very high	96.2	Very high	61 Å²	61	44.1 Å²	44.1	33%	0.326	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-41.7	172.7	-94.9	38.6	0	0	0	113.5	K142 Q186 D187 F188 A194	K142-D190 HydrophobicContact CD-CB 4.42Å; K142-D190 IonicContact NZ-OD2 2.7Å; K142-D190 PolarHBondContact NZ-OD2 3.12Å; Q186-D190 PolarHBondContact NE2-OD1 3.29Å; Q186-D190 VanDerWaalsContact O-CB 3.29Å; Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 PolarHBondContact O-N 3.23Å; D187-D190 WeakPolarHBondContact O-CB 3.37Å; F188-D190 PolarHBondContact O-N 2.72Å; D190-A194 VanDerWaalsContact O-CB 3.3Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.24Å
191	L	98.3	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-45	176.6	173.1	64.7	0	0	0	110.6	L138 I141 K142 L145 I156 P158 D187 F188 A194 T195	L138-L191 HydrophobicContact CD2-CD2 3.89Å; I141-L191 HydrophobicContact CB-CD1 4.23Å; I141-L191 HydrophobicContact CB-CD2 4.46Å; I141-L191 HydrophobicContact CG2-CD1 3.75Å; I141-L191 HydrophobicContact CG2-CD2 4.2Å; K142-L191 HydrophobicContact CB-CD1 3.97Å; L145-L191 HydrophobicContact CD1-CD1 4.08Å; L145-L191 HydrophobicContact CD2-CD1 4.4Å; L145-L191 HydrophobicContact CG-CD1 4.44Å; I156-L191 HydrophobicContact CD1-CD1 4.12Å; I156-L191 HydrophobicContact CD1-CD2 4.42Å; I156-L191 HydrophobicContact CD1-CG 4.36Å; P158-L191 HydrophobicContact CG-CD2 4.17Å; D187-L191 WeakPolarHBondContact O-CB 3.31Å; D187-L191 PolarHBondContact O-N 3.37Å; F188-L191 WeakPolarHBondContact O-CB 3.18Å; F188-L191 PolarHBondContact O-N 3.19Å; L191-A194 PolarHBondContact O-N 2.84Å; L191-T195 WeakPolarHBondContact O-CB 3.46Å; L191-T195 PolarHBondContact O-N 3.35Å; L191-T195 PolarHBondContact O-OG1 2.86Å
192	V	98.1	Very high	96.7	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-50.8	177.2	175.9	0	0	0	0	110.2	F188 D189 A194 T195 H196 V202 R288	F188-V192 HydrophobicContact CD1-CG2 4.03Å; F188-V192 HydrophobicContact CE1-CG2 3.58Å; F188-V192 HydrophobicContact CE2-CG2 4.45Å; F188-V192 HydrophobicContact CZ-CG2 3.83Å; F188-V192 WeakPolarHBondContact O-CG2 3.37Å; F188-V192 PolarHBondContact O-N 3.44Å; D189-V192 PolarHBondContact O-N 2.83Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 3.4Å; V192-T195 WeakPolarHBondContact O-CB 3.33Å; V192-T195 PolarHBondContact O-N 3.41Å; V192-T195 VanDerWaalsContact O-N 3.15Å; V192-H196 VanDerWaalsContact CG1-CE1 3.48Å; V192-H196 WeakPolarHBondContact CG1-CE1 3.24Å; V192-H196 PolarHBondContact O-N 2.79Å; V192-V202 HydrophobicContact CG2-CG1 4.47Å; V192-V202 HydrophobicContact CG2-CG2 4.27Å; V192-R288 WeakPolarHBondContact CG1-O 3.42Å
193	G	97.9	Very high	96.7	Very high	46 Å²	46	39.1 Å²	39.1	47%	0.474	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-42.3	178.1	0	0	0	0	0	113.2	D189 G197	D189-G193 PolarHBondContact O-N 2.85Å; G193-G197 PolarHBondContact O-N 3.17Å
194	A	98	Very high	96.7	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-35	177.1	0	0	0	0	0	113.2	K142 L145 D190 L191 V192	K142-A194 HydrophobicContact CD-CB 4.38Å; K142-A194 HydrophobicContact CG-CB 3.95Å; L145-A194 HydrophobicContact CD1-CB 3.72Å; D190-A194 VanDerWaalsContact O-CB 3.3Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.24Å; L191-A194 PolarHBondContact O-N 2.84Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 3.4Å
195	T	97.8	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-50.7	176.6	-58.1	0	0	0	0	110.2	I156 L191 V192 G197 R198 M200 V202	I156-T195 HydrophobicContact CD1-CG2 4.19Å; I156-T195 HydrophobicContact CG1-CG2 4.09Å; L191-T195 WeakPolarHBondContact O-CB 3.46Å; L191-T195 PolarHBondContact O-N 3.35Å; L191-T195 PolarHBondContact O-OG1 2.86Å; V192-T195 WeakPolarHBondContact O-CB 3.33Å; V192-T195 PolarHBondContact O-N 3.41Å; V192-T195 VanDerWaalsContact O-N 3.15Å; T195-G197 VanDerWaalsContact C-N 3.32Å; T195-G197 PolarHBondContact O-N 3.04Å; T195-R198 PolarHBondContact O-N 3.14Å; T195-M200 HydrophobicContact CG2-CB 3.48Å; T195-M200 VanDerWaalsContact CG2-CB 3.48Å; T195-M200 WeakPolarHBondContact O-CB 3.24Å; T195-M200 PolarHBondContact O-N 3.22Å; T195-V202 HydrophobicContact CG2-CG2 3.62Å
196	H	97.2	Very high	96.2	Very high	70 Å²	70	34.1 Å²	34.1	32%	0.324	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-38.2	176.7	-70.1	177.7	0	0	0	112.6	V192 R198 G199 M200 G289 D291	V192-H196 VanDerWaalsContact CG1-CE1 3.48Å; V192-H196 WeakPolarHBondContact CG1-CE1 3.24Å; V192-H196 PolarHBondContact O-N 2.79Å; H196-R198 PolarHBondContact O-N 3.43Å; H196-G199 PolarHBondContact O-N 3.35Å; H196-M200 PolarHBondContact CD2-O 3.33Å; H196-G289 PolarHBondContact CE1-O 3.43Å; H196-G289 PolarHBondContact NE2-O 3.37Å; H196-D291 IonicContact CD2-OD2 2.65Å; H196-D291 IonicContact CE1-OD2 2.97Å; H196-D291 IonicContact NE2-OD1 3.64Å; H196-D291 IonicContact NE2-OD2 2.81Å; H196-D291 PolarHBondContact NE2-OD2 3.24Å
197	G	96.5	Very high	95.8	Very high	66 Å²	66	29.1 Å²	29.1	68%	0.68	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12	174.5	0	0	0	0	0	114.5	G193 T195	G193-G197 PolarHBondContact O-N 3.17Å; T195-G197 VanDerWaalsContact C-N 3.32Å; T195-G197 PolarHBondContact O-N 3.04Å
198	R	95.3	Very high	95.2	Very high	115 Å²	115	28 Å²	28	43%	0.434	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.3	175.2	-65.7	170.3	168.8	32.3	1.3	113.1	V146 T195 H196 M200	V146-R198 VanDerWaalsContact CG2-NH2 3.29Å; T195-R198 PolarHBondContact O-N 3.14Å; H196-R198 PolarHBondContact O-N 3.43Å; R198-M200 HydrophobicContact CB-CG 4.09Å; R198-M200 HydrophobicContact CB-SD 4.08Å; R198-M200 PolarHBondContact O-N 3.02Å
199	G	93.6	Very high	94.6	Very high	53 Å²	53	28.6 Å²	28.6	55%	0.546	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	23.9	-173.3	0	0	0	0	0	113.3	H196	H196-G199 PolarHBondContact O-N 3.35Å
200	M	95.5	Very high	94.2	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.03	17%	0.168	C	C	.	.			trans	-99.7	165	176.2	-62.1	173.8	63	0	0	110.6	L148 I153 Q154 I156 T195 H196 R198	L148-M200 HydrophobicContact CB-CE 4.47Å; I153-M200 HydrophobicContact CG2-CE 4.15Å; Q154-M200 CarbonylContact O-C 3.54Å; Q154-M200 WeakPolarHBondContact O-CA 3.47Å; Q154-M200 VanDerWaalsContact O-CB 3.3Å; Q154-M200 WeakPolarHBondContact O-CB 3.43Å; I156-M200 HydrophobicContact CG2-CE 3.93Å; T195-M200 HydrophobicContact CG2-CB 3.48Å; T195-M200 VanDerWaalsContact CG2-CB 3.48Å; T195-M200 WeakPolarHBondContact O-CB 3.24Å; T195-M200 PolarHBondContact O-N 3.22Å; H196-M200 PolarHBondContact CD2-O 3.33Å; R198-M200 HydrophobicContact CB-CG 4.09Å; R198-M200 HydrophobicContact CB-SD 4.08Å; R198-M200 PolarHBondContact O-N 3.02Å
201	Y	95.4	Very high	93.8	Very high	62 Å²	62	23.4 Å²	23.4	24%	0.243	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.5	-177.5	-57.9	-83	0	0	0	111.7	W113 R117 Q154 T155 I156 D291	W113-Y201 HydrophobicContact CB-CD1 4.46Å; W113-Y201 HydrophobicContact CB-CD2 4.19Å; W113-Y201 HydrophobicContact CB-CE1 3.92Å; W113-Y201 HydrophobicContact CB-CE2 3.62Å; W113-Y201 VanDerWaalsContact CB-CZ 3.46Å; W113-Y201 AromaticContact CD1-CE1 3.94Å; W113-Y201 AromaticContact CD2-CD1 3.81Å; W113-Y201 HydrophobicContact CD2-CD1 3.81Å; W113-Y201 HydrophobicContact CD2-CD2 4.02Å; W113-Y201 HydrophobicContact CD2-CE1 4.12Å; W113-Y201 HydrophobicContact CD2-CE2 4.32Å; W113-Y201 AromaticContact CD2-CG 3.75Å; W113-Y201 HydrophobicContact CD2-CG 3.75Å; W113-Y201 HydrophobicContact CE3-CD1 4.22Å; W113-Y201 AromaticContact CE3-CD2 3.72Å; W113-Y201 HydrophobicContact CE3-CD2 3.72Å; W113-Y201 HydrophobicContact CE3-CE2 4.32Å; W113-Y201 AromaticContact CE3-CG 3.66Å; W113-Y201 HydrophobicContact CE3-CG 3.66Å; W113-Y201 AromaticContact CG-CD1 3.9Å; W113-Y201 HydrophobicContact CG-CD1 3.9Å; W113-Y201 HydrophobicContact CG-CD2 4.23Å; W113-Y201 AromaticContact CG-CE1 3.69Å; W113-Y201 HydrophobicContact CG-CE1 3.69Å; W113-Y201 HydrophobicContact CG-CE2 4.05Å; W113-Y201 HydrophobicContact CG-CG 4.16Å; W113-Y201 AromaticContact CG-CZ 3.77Å; W113-Y201 HydrophobicContact CZ3-CG 4.24Å; R117-Y201 HydrophobicContact CG-CE2 4.35Å; Q154-Y201 PolarHBondContact O-N 3.43Å; T155-Y201 CarbonylContact C-O 3.55Å; T155-Y201 VanDerWaalsContact CA-O 3.29Å; T155-Y201 WeakPolarHBondContact CA-O 3.47Å; I156-Y201 PolarHBondContact N-O 3.3Å; Y201-D291 VanDerWaalsContact CA-OD2 3.32Å; Y201-D291 WeakPolarHBondContact CA-OD2 3.24Å; Y201-D291 HydrophobicContact CD1-CB 4.02Å
202	V	96.6	Very high	93.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.3	176.1	-178.1	0	0	0	0	110.2	I156 V192 T195 D291 G292	I156-V202 HydrophobicContact CD1-CG2 4.31Å; I156-V202 HydrophobicContact CG1-CG2 4.15Å; V192-V202 HydrophobicContact CG2-CG1 4.47Å; V192-V202 HydrophobicContact CG2-CG2 4.27Å; T195-V202 HydrophobicContact CG2-CG2 3.62Å; V202-D291 PolarHBondContact N-OD2 2.87Å; V202-D291 WeakPolarHBondContact O-CA 3.48Å; V202-D291 WeakPolarHBondContact O-CB 3.3Å; V202-D291 PolarHBondContact O-N 2.96Å; V202-G292 PolarHBondContact O-N 3.1Å
203	V	94.5	Very high	92.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.9	170.6	175.6	0	0	0	0	109	W113 T155 I156 R157 P158 G292 F294 F328	W113-V203 HydrophobicContact CH2-CG2 3.59Å; W113-V203 HydrophobicContact CZ3-CG2 4.28Å; T155-V203 HydrophobicContact CG2-CB 4.35Å; T155-V203 HydrophobicContact CG2-CG2 3.52Å; I156-V203 PolarHBondContact O-N 2.91Å; R157-V203 VanDerWaalsContact CA-O 3.27Å; R157-V203 WeakPolarHBondContact CA-O 3.46Å; R157-V203 HydrophobicContact CB-CB 4.11Å; R157-V203 HydrophobicContact CB-CG1 4.45Å; R157-V203 HydrophobicContact CG-CB 4.2Å; R157-V203 HydrophobicContact CG-CG1 4.05Å; P158-V203 WeakPolarHBondContact CD-O 3.32Å; V203-G292 CarbonylContact C-O 3.45Å; V203-G292 VanDerWaalsContact CA-O 3.26Å; V203-G292 WeakPolarHBondContact CA-O 3.42Å; V203-F294 HydrophobicContact CG1-CB 4.18Å; V203-F328 HydrophobicContact CG1-CD2 4.06Å; V203-F328 HydrophobicContact CG1-CE2 4.16Å; V203-F328 HydrophobicContact CG2-CE2 3.84Å
204	L	94.2	Very high	92.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144	179.1	-172.2	63.8	0	0	0	111.7	I161 F188 W285 V290 G292 F293 F294	I161-L204 HydrophobicContact CD1-CD1 3.27Å; I161-L204 HydrophobicContact CG1-CD1 3.76Å; F188-L204 HydrophobicContact CE2-CD1 4.43Å; L204-W285 HydrophobicContact CD2-CB 4.1Å; L204-W285 HydrophobicContact CD2-CD2 3.41Å; L204-W285 VanDerWaalsContact CD2-CD2 3.41Å; L204-W285 HydrophobicContact CD2-CE3 3.99Å; L204-W285 HydrophobicContact CD2-CG 3.43Å; L204-W285 VanDerWaalsContact CD2-CG 3.43Å; L204-W285 HydrophobicContact CD2-CZ2 4.3Å; L204-V290 HydrophobicContact CB-CG1 3.96Å; L204-G292 PolarHBondContact N-O 3.49Å; L204-F293 HydrophobicContact CB-CD1 4.25Å; L204-F293 HydrophobicContact CB-CE1 4.32Å; L204-F293 HydrophobicContact CD2-CE1 4.47Å; L204-F293 CarbonylContact O-C 3.58Å; L204-F293 VanDerWaalsContact O-CA 3.24Å; L204-F293 WeakPolarHBondContact O-CA 3.14Å; L204-F294 PolarHBondContact O-N 3.32Å
205	D	91.1	Very high	92.2	Very high	20 Å²	20	27.6 Å²	27.6	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132	168.6	-72.1	-13.8	0	0	0	111	R157 S159 F294 T296	R157-D205 IonicContact CZ-OD1 3.62Å; R157-D205 IonicContact NE-OD1 2.78Å; R157-D205 PolarHBondContact NE-OD1 2.88Å; R157-D205 IonicContact NH2-OD1 3.63Å; R157-D205 PolarHBondContact NH2-OD1 2.91Å; R157-D205 IonicContact NH2-OD2 3.62Å; S159-D205 WeakPolarHBondContact CB-OD2 3.14Å; D205-F294 WeakPolarHBondContact CA-O 3.46Å; D205-T296 HydrophobicContact CB-CG2 4.02Å
206	L	90.8	Very high	92.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	93.1	171.1	-175.8	64.6	0	0	0	108.8	V208 L278 A281 F293 F294 L295 T296	L206-V208 PolarHBondContact O-N 3.1Å; L206-L278 HydrophobicContact CD1-CD2 4.23Å; L206-L278 HydrophobicContact CG-CD2 4.42Å; L206-A281 HydrophobicContact CD1-CB 4.26Å; L206-F293 HydrophobicContact CB-CD1 4.36Å; L206-F294 PolarHBondContact N-O 3.25Å; L206-L295 HydrophobicContact CB-CD2 3.91Å; L206-L295 HydrophobicContact CD2-CD2 3.76Å; L206-L295 HydrophobicContact CG-CD2 4.09Å; L206-L295 WeakPolarHBondContact O-CA 3.48Å; L206-T296 PolarHBondContact O-N 2.91Å
207	P	88.9	Confident	91.8	Very high	10 Å²	10	25.6 Å²	25.6	7%	0.065	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.3	-176.9	-19.9	33.7	0	0	0	112.4	L162 I172 H175 V209 T296	L162-P207 HydrophobicContact CD1-CG 4.06Å; I172-P207 HydrophobicContact CD1-CB 3.75Å; I172-P207 HydrophobicContact CD1-CG 3.88Å; I172-P207 HydrophobicContact CG1-CB 4.41Å; I172-P207 HydrophobicContact CG2-CG 4.31Å; H175-P207 PolarHBondContact NE2-O 3.18Å; H175-P207 VanDerWaalsContact NE2-O 3.08Å; P207-V209 VanDerWaalsContact C-N 3.27Å; P207-V209 HydrophobicContact CB-CG2 4.38Å; P207-T296 VanDerWaalsContact CA-OG1 3.24Å; P207-T296 WeakPolarHBondContact CA-OG1 3.42Å; P207-T296 WeakPolarHBondContact CB-OG1 3.48Å
208	V	86	Confident	91.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.145	C	C	.	.	S	Bend	trans	-94.3	15.9	171.3	-63.9	0	0	0	0	112.8	L206 L267 L269 L278 T296 F301	L206-V208 PolarHBondContact O-N 3.1Å; V208-L267 WeakPolarHBondContact O-CB 3.47Å; V208-L267 PolarHBondContact O-N 2.97Å; V208-L269 HydrophobicContact CB-CD1 3.94Å; V208-L269 HydrophobicContact CB-CD2 4.12Å; V208-L269 HydrophobicContact CG1-CD1 3.96Å; V208-L269 HydrophobicContact CG1-CD2 4.01Å; V208-L269 HydrophobicContact CG2-CD1 4.29Å; V208-L278 HydrophobicContact CG1-CD1 4.35Å; V208-T296 WeakPolarHBondContact CG2-O 3.48Å; V208-T296 PolarHBondContact N-O 3.39Å; V208-F301 HydrophobicContact CB-CE2 4.01Å; V208-F301 HydrophobicContact CG2-CD2 3.88Å; V208-F301 HydrophobicContact CG2-CE2 3.46Å; V208-F301 VanDerWaalsContact CG2-CE2 3.46Å; V208-F301 HydrophobicContact CG2-CZ 4.48Å
209	V	85.8	Confident	91.4	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.9	171	-67.6	0	0	0	0	108.3	I172 P207 A265 L266	I172-V209 WeakPolarHBondContact CD1-O 3.49Å; I172-V209 WeakPolarHBondContact CG1-O 3.47Å; P207-V209 VanDerWaalsContact C-N 3.27Å; P207-V209 HydrophobicContact CB-CG2 4.38Å; V209-A265 WeakPolarHBondContact CA-O 3.47Å; V209-L266 HydrophobicContact CG1-CD1 3.54Å
210	T	89.6	Confident	91.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.3	177.5	70.4	0	0	0	0	111.7	I172 W216 Y231 V264 A265 L267	I172-T210 HydrophobicContact CD1-CG2 4.41Å; T210-W216 HydrophobicContact CG2-CE3 4.23Å; T210-W216 HydrophobicContact CG2-CZ3 4.4Å; T210-Y231 VanDerWaalsContact OG1-CE1 3.25Å; T210-Y231 WeakPolarHBondContact OG1-CE1 3.48Å; T210-Y231 PolarHBondContact OG1-OH 3.3Å; T210-V264 CarbonylContact O-C 3.56Å; T210-V264 WeakPolarHBondContact O-CA 3.16Å; T210-A265 PolarHBondContact N-O 2.65Å; T210-A265 PolarHBondContact O-N 2.63Å; T210-L267 HydrophobicContact CG2-CD1 3.89Å; T210-L267 HydrophobicContact CG2-CD2 3.98Å; T210-L267 HydrophobicContact CG2-CG 4.01Å
211	S	88	Confident	90.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	150.4	169.2	-168.6	0	0	0	0	112.5	D171 I172 N213 H214 K263	D171-S211 WeakPolarHBondContact OD1-CA 3.42Å; D171-S211 WeakPolarHBondContact OD1-CB 3.41Å; D171-S211 PolarHBondContact OD1-OG 2.74Å; D171-S211 PolarHBondContact OD2-OG 3.45Å; I172-S211 WeakPolarHBondContact O-CB 3.37Å; I172-S211 PolarHBondContact O-N 3.19Å; S211-N213 PolarHBondContact O-N 3.21Å; S211-N213 PolarHBondContact OG-N 2.87Å; S211-H214 WeakPolarHBondContact O-CB 3.44Å; S211-H214 PolarHBondContact O-N 3.01Å; S211-K263 CarbonylContact C-O 3.58Å; S211-K263 WeakPolarHBondContact CA-O 3.12Å
212	V	87	Confident	90.6	Very high	23 Å²	23	31.9 Å²	31.9	14%	0.139	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	162.3	-59.7	0	0	0	0	112.3	H214 F217 Y255 K263	V212-H214 VanDerWaalsContact C-N 3.34Å; V212-F217 VanDerWaalsContact CA-CD1 3.42Å; V212-F217 HydrophobicContact CB-CD1 3.73Å; V212-F217 HydrophobicContact CB-CE1 3.5Å; V212-F217 VanDerWaalsContact CB-CE1 3.5Å; V212-F217 HydrophobicContact CB-CG 4.44Å; V212-F217 HydrophobicContact CB-CZ 4.18Å; V212-F217 HydrophobicContact CG1-CD1 4.2Å; V212-F217 HydrophobicContact CG1-CE1 3.6Å; V212-F217 HydrophobicContact CG1-CE2 4.39Å; V212-F217 HydrophobicContact CG1-CZ 3.75Å; V212-F217 WeakPolarHBondContact O-CD1 3.45Å; V212-Y255 HydrophobicContact CG1-CE2 4.21Å; V212-K263 WeakPolarHBondContact CG1-O 3.19Å; V212-K263 HydrophobicContact CG2-CB 3.75Å; V212-K263 HydrophobicContact CG2-CD 4.25Å; V212-K263 HydrophobicContact CG2-CG 4.13Å; V212-K263 PolarHBondContact N-O 3.23Å
213	N	87.5	Confident	90.1	Very high	72 Å²	72	33.8 Å²	33.8	39%	0.385	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.5	170.3	-53.6	-44.6	0	0	0	112.1	T173 S211	T173-N213 HydrophobicContact CG2-CB 4.38Å; S211-N213 PolarHBondContact O-N 3.21Å; S211-N213 PolarHBondContact OG-N 2.87Å
214	H	92.5	Very high	89.9	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.019	19%	0.188	C	C	.	.	S	Bend	trans	-69.9	137.9	176.3	-164.9	-78.5	0	0	0	109.2	I172 T173 H175 S211 V212 W216 F217 E218	I172-H214 PolarHBondContact O-CD2 3.26Å; T173-H214 VanDerWaalsContact CA-CD2 3.42Å; T173-H214 WeakPolarHBondContact CA-CD2 3.43Å; T173-H214 PolarHBondContact O-CD2 3.41Å; T173-H214 VanDerWaalsContact O-CD2 3.27Å; T173-H214 PolarHBondContact O-NE2 2.88Å; H175-H214 AromaticContact CE1-NE2 3.89Å; H175-H214 AromaticContact ND1-NE2 3.57Å; S211-H214 WeakPolarHBondContact O-CB 3.44Å; S211-H214 PolarHBondContact O-N 3.01Å; V212-H214 VanDerWaalsContact C-N 3.34Å; H214-W216 AromaticContact CE1-CD1 3.77Å; H214-W216 AromaticContact CE1-CD2 3.16Å; H214-W216 AromaticContact CE1-CE2 3.48Å; H214-W216 VanDerWaalsContact CE1-CE2 3.48Å; H214-W216 AromaticContact CE1-CE3 3.53Å; H214-W216 AromaticContact CE1-CG 3.37Å; H214-W216 AromaticContact CE1-NE1 3.83Å; H214-W216 VanDerWaalsContact ND1-CB 3.35Å; H214-W216 WeakPolarHBondContact ND1-CB 3.46Å; H214-W216 AromaticContact ND1-CD1 3.86Å; H214-W216 AromaticContact ND1-CD2 3.49Å; H214-W216 AromaticContact ND1-CE3 3.85Å; H214-W216 AromaticContact ND1-CG 3.25Å; H214-W216 VanDerWaalsContact ND1-CG 3.25Å; H214-W216 PolarHBondContact ND1-N 2.92Å; H214-W216 VanDerWaalsContact ND1-N 3.14Å; H214-W216 PolarHBondContact O-N 3.38Å; H214-F217 HydrophobicContact CB-CB 4.4Å; H214-F217 WeakPolarHBondContact O-CA 3.36Å; H214-F217 WeakPolarHBondContact O-CB 3.29Å; H214-F217 PolarHBondContact O-N 2.7Å; H214-E218 PolarHBondContact O-N 3.34Å; H214-E218 VanDerWaalsContact O-N 3.1Å
215	P	93.4	Very high	89.5	Confident	62 Å²	62	42.2 Å²	42.2	40%	0.403	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-30.9	178.5	-28.9	35.4	0	0	0	113.7	T173 K219	T173-P215 VanDerWaalsContact O-CD 3.32Å; T173-P215 WeakPolarHBondContact O-CD 3.42Å; P215-K219 WeakPolarHBondContact O-CB 3.43Å; P215-K219 VanDerWaalsContact O-CG 3.24Å; P215-K219 WeakPolarHBondContact O-CG 3.42Å; P215-K219 PolarHBondContact O-N 3Å
216	W	93.8	Very high	89.4	Confident	27 Å²	27	43.6 Å²	43.6	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-37	173.4	-58	-16	0	0	0	112.9	H175 T210 H214 Y220 Y227 F230 Y231 L267 E277	H175-W216 AromaticContact CE1-CH2 3.49Å; H175-W216 VanDerWaalsContact CE1-CH2 3.49Å; H175-W216 WeakPolarHBondContact CE1-CH2 3.17Å; H175-W216 AromaticContact CE1-CZ3 3.18Å; H175-W216 WeakPolarHBondContact CE1-CZ3 3.07Å; H175-W216 AromaticContact CG-CH2 3.98Å; H175-W216 AromaticContact ND1-CH2 3.24Å; H175-W216 WeakPolarHBondContact ND1-CH2 3.08Å; H175-W216 AromaticContact ND1-CZ3 3.44Å; H175-W216 WeakPolarHBondContact ND1-CZ3 3.25Å; T210-W216 HydrophobicContact CG2-CE3 4.23Å; T210-W216 HydrophobicContact CG2-CZ3 4.4Å; H214-W216 AromaticContact CE1-CD1 3.77Å; H214-W216 AromaticContact CE1-CD2 3.16Å; H214-W216 AromaticContact CE1-CE2 3.48Å; H214-W216 VanDerWaalsContact CE1-CE2 3.48Å; H214-W216 AromaticContact CE1-CE3 3.53Å; H214-W216 AromaticContact CE1-CG 3.37Å; H214-W216 AromaticContact CE1-NE1 3.83Å; H214-W216 VanDerWaalsContact ND1-CB 3.35Å; H214-W216 WeakPolarHBondContact ND1-CB 3.46Å; H214-W216 AromaticContact ND1-CD1 3.86Å; H214-W216 AromaticContact ND1-CD2 3.49Å; H214-W216 AromaticContact ND1-CE3 3.85Å; H214-W216 AromaticContact ND1-CG 3.25Å; H214-W216 VanDerWaalsContact ND1-CG 3.25Å; H214-W216 PolarHBondContact ND1-N 2.92Å; H214-W216 VanDerWaalsContact ND1-N 3.14Å; H214-W216 PolarHBondContact O-N 3.38Å; W216-Y220 WeakPolarHBondContact O-CB 3.09Å; W216-Y220 PolarHBondContact O-N 2.77Å; W216-Y227 HydrophobicContact CB-CD1 4.33Å; W216-Y227 HydrophobicContact CB-CE1 4.4Å; W216-Y227 AromaticContact CD1-CE1 3.64Å; W216-Y227 HydrophobicContact CG-CE1 4.13Å; W216-F230 HydrophobicContact CB-CD1 3.99Å; W216-F230 HydrophobicContact CB-CE1 4.29Å; W216-F230 HydrophobicContact CD2-CD1 4.35Å; W216-F230 HydrophobicContact CD2-CE1 4.01Å; W216-F230 HydrophobicContact CE3-CD1 4.35Å; W216-F230 HydrophobicContact CE3-CE1 4.22Å; W216-F230 HydrophobicContact CG-CD1 4.24Å; W216-F230 HydrophobicContact CG-CE1 4.06Å; W216-Y231 HydrophobicContact CB-CE2 4.4Å; W216-Y231 WeakPolarHBondContact CB-OH 3.42Å; W216-L267 HydrophobicContact CE3-CD2 4.21Å; W216-L267 HydrophobicContact CZ3-CD1 4.3Å; W216-E277 HydrophobicContact CH2-CB 3.68Å; W216-E277 HydrophobicContact CH2-CG 4.48Å; W216-E277 HydrophobicContact CZ2-CB 3.6Å; W216-E277 HydrophobicContact CZ2-CG 3.98Å; W216-E277 HydrophobicContact CZ3-CB 4.45Å
217	F	90.8	Very high	89.3	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-38.9	177.7	-164.2	-100.1	0	0	0	111.4	V212 H214 Y220 K221 Y231 Y255 A265	V212-F217 VanDerWaalsContact CA-CD1 3.42Å; V212-F217 HydrophobicContact CB-CD1 3.73Å; V212-F217 HydrophobicContact CB-CE1 3.5Å; V212-F217 VanDerWaalsContact CB-CE1 3.5Å; V212-F217 HydrophobicContact CB-CG 4.44Å; V212-F217 HydrophobicContact CB-CZ 4.18Å; V212-F217 HydrophobicContact CG1-CD1 4.2Å; V212-F217 HydrophobicContact CG1-CE1 3.6Å; V212-F217 HydrophobicContact CG1-CE2 4.39Å; V212-F217 HydrophobicContact CG1-CZ 3.75Å; V212-F217 WeakPolarHBondContact O-CD1 3.45Å; H214-F217 HydrophobicContact CB-CB 4.4Å; H214-F217 WeakPolarHBondContact O-CA 3.36Å; H214-F217 WeakPolarHBondContact O-CB 3.29Å; H214-F217 PolarHBondContact O-N 2.7Å; F217-Y220 HydrophobicContact CD2-CD1 4.38Å; F217-Y220 HydrophobicContact CE2-CD1 4.33Å; F217-Y220 WeakPolarHBondContact O-CB 3.41Å; F217-Y220 PolarHBondContact O-N 3.14Å; F217-K221 HydrophobicContact CD1-CD 4.42Å; F217-K221 HydrophobicContact CD1-CG 4.32Å; F217-K221 HydrophobicContact CE1-CD 4.24Å; F217-K221 HydrophobicContact CE1-CG 4.32Å; F217-K221 WeakPolarHBondContact O-CG 3.48Å; F217-K221 PolarHBondContact O-N 3.32Å; F217-Y231 HydrophobicContact CB-CE2 4.01Å; F217-Y231 AromaticContact CD2-CD1 3.79Å; F217-Y231 HydrophobicContact CD2-CD1 3.79Å; F217-Y231 AromaticContact CD2-CD2 3.72Å; F217-Y231 HydrophobicContact CD2-CD2 3.72Å; F217-Y231 AromaticContact CD2-CE1 3.75Å; F217-Y231 HydrophobicContact CD2-CE1 3.75Å; F217-Y231 AromaticContact CD2-CE2 3.68Å; F217-Y231 HydrophobicContact CD2-CE2 3.68Å; F217-Y231 AromaticContact CD2-CG 3.78Å; F217-Y231 HydrophobicContact CD2-CG 3.78Å; F217-Y231 AromaticContact CD2-CZ 3.69Å; F217-Y231 HydrophobicContact CE2-CD1 4.13Å; F217-Y231 HydrophobicContact CE2-CD2 4.33Å; F217-Y231 HydrophobicContact CE2-CE1 4.47Å; F217-Y231 HydrophobicContact CE2-CG 4.05Å; F217-Y231 HydrophobicContact CG-CE2 4.29Å; F217-Y231 PolarHBondContact N-OH 3.22Å; F217-Y255 HydrophobicContact CE2-CD1 4.03Å; F217-Y255 HydrophobicContact CE2-CD2 4.09Å; F217-Y255 HydrophobicContact CE2-CE1 4.48Å; F217-Y255 AromaticContact CE2-CG 3.82Å; F217-Y255 HydrophobicContact CE2-CG 3.82Å; F217-Y255 AromaticContact CZ-CD1 3.62Å; F217-Y255 HydrophobicContact CZ-CD1 3.62Å; F217-Y255 HydrophobicContact CZ-CD2 4.06Å; F217-Y255 AromaticContact CZ-CE1 3.67Å; F217-Y255 HydrophobicContact CZ-CE1 3.67Å; F217-Y255 HydrophobicContact CZ-CE2 4.09Å; F217-Y255 AromaticContact CZ-CG 3.83Å; F217-Y255 HydrophobicContact CZ-CG 3.83Å; F217-Y255 AromaticContact CZ-CZ 3.89Å; F217-A265 HydrophobicContact CD2-CB 3.84Å; F217-A265 HydrophobicContact CE2-CB 3.48Å; F217-A265 VanDerWaalsContact CE2-CB 3.48Å; F217-A265 HydrophobicContact CZ-CB 4.31Å
218	E	90.8	Very high	89	Confident	102 Å²	102	46.8 Å²	46.8	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-50.5	172.3	-65.6	-178.8	162.2	0	0	111.2	H214 Y220 K221 E222	H214-E218 PolarHBondContact O-N 3.34Å; H214-E218 VanDerWaalsContact O-N 3.1Å; E218-Y220 VanDerWaalsContact C-N 3.28Å; E218-Y220 PolarHBondContact O-N 3.28Å; E218-K221 WeakPolarHBondContact O-CB 3.2Å; E218-K221 PolarHBondContact O-N 3.31Å; E218-E222 WeakPolarHBondContact O-CG 3.38Å; E218-E222 PolarHBondContact O-N 3.29Å
219	K	92.6	Very high	89	Confident	77 Å²	77	49.8 Å²	49.8	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-36.4	174.8	-72.7	179.6	-173.5	-177	0	113.1	P215 E222 G223 A224 Y227	P215-K219 WeakPolarHBondContact O-CB 3.43Å; P215-K219 VanDerWaalsContact O-CG 3.24Å; P215-K219 WeakPolarHBondContact O-CG 3.42Å; P215-K219 PolarHBondContact O-N 3Å; K219-E222 PolarHBondContact O-N 3.02Å; K219-G223 PolarHBondContact O-N 3.28Å; K219-G223 VanDerWaalsContact O-N 3.13Å; K219-A224 HydrophobicContact CB-CB 3.99Å; K219-A224 HydrophobicContact CG-CB 4.36Å; K219-A224 WeakPolarHBondContact O-CB 3.24Å; K219-A224 PolarHBondContact O-N 3.07Å; K219-Y227 HydrophobicContact CB-CD1 4.07Å; K219-Y227 HydrophobicContact CB-CD2 3.95Å; K219-Y227 HydrophobicContact CB-CG 3.67Å; K219-Y227 HydrophobicContact CD-CD1 4.09Å; K219-Y227 HydrophobicContact CD-CD2 3.66Å; K219-Y227 HydrophobicContact CD-CE1 3.89Å; K219-Y227 HydrophobicContact CD-CE2 3.42Å; K219-Y227 VanDerWaalsContact CD-CE2 3.42Å; K219-Y227 HydrophobicContact CD-CG 3.99Å; K219-Y227 HydrophobicContact CG-CD2 4.4Å; K219-Y227 PolarHBondContact NZ-OH 3.31Å; K219-Y227 VanDerWaalsContact NZ-OH 3.12Å
220	Y	91.3	Very high	89.2	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-44.9	173.5	167.7	-110.7	0	0	0	111.6	W216 F217 E218 G223 Y227 S228 Y231 N232 K253 S254	W216-Y220 WeakPolarHBondContact O-CB 3.09Å; W216-Y220 PolarHBondContact O-N 2.77Å; F217-Y220 HydrophobicContact CD2-CD1 4.38Å; F217-Y220 HydrophobicContact CE2-CD1 4.33Å; F217-Y220 WeakPolarHBondContact O-CB 3.41Å; F217-Y220 PolarHBondContact O-N 3.14Å; E218-Y220 VanDerWaalsContact C-N 3.28Å; E218-Y220 PolarHBondContact O-N 3.28Å; Y220-G223 PolarHBondContact O-N 3.42Å; Y220-Y227 WeakPolarHBondContact CD2-O 3.46Å; Y220-S228 WeakPolarHBondContact CD2-O 3.27Å; Y220-S228 WeakPolarHBondContact CE2-O 2.96Å; Y220-Y231 AromaticContact CD1-CD2 3.64Å; Y220-Y231 HydrophobicContact CD1-CD2 3.64Å; Y220-Y231 HydrophobicContact CD1-CG 4.19Å; Y220-Y231 HydrophobicContact CD2-CD2 4.14Å; Y220-Y231 HydrophobicContact CE1-CD2 4.29Å; Y220-Y231 HydrophobicContact CE1-CG 4.43Å; Y220-Y231 AromaticContact CG-CD2 3.56Å; Y220-Y231 HydrophobicContact CG-CD2 3.56Å; Y220-Y231 HydrophobicContact CG-CE2 4.34Å; Y220-Y231 HydrophobicContact CG-CG 4.44Å; Y220-N232 HydrophobicContact CE2-CB 4.24Å; Y220-K253 HydrophobicContact CD2-CD 4.41Å; Y220-K253 HydrophobicContact CE1-CB 3.79Å; Y220-K253 HydrophobicContact CE1-CD 4.32Å; Y220-K253 HydrophobicContact CE1-CG 4.22Å; Y220-K253 HydrophobicContact CE2-CD 3.8Å; Y220-K253 VanDerWaalsContact O-CE 3.26Å; Y220-K253 WeakPolarHBondContact O-CE 3.22Å; Y220-S254 PolarHBondContact OH-N 3.44Å; Y220-S254 PolarHBondContact OH-O 3.35Å
221	K	88.6	Confident	89.1	Confident	99 Å²	99	49.3 Å²	49.3	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.2	-71.1	-161.7	-170.6	-166.5	0	112.5	F217 E218 G223 E250	F217-K221 HydrophobicContact CD1-CD 4.42Å; F217-K221 HydrophobicContact CD1-CG 4.32Å; F217-K221 HydrophobicContact CE1-CD 4.24Å; F217-K221 HydrophobicContact CE1-CG 4.32Å; F217-K221 WeakPolarHBondContact O-CG 3.48Å; F217-K221 PolarHBondContact O-N 3.32Å; E218-K221 WeakPolarHBondContact O-CB 3.2Å; E218-K221 PolarHBondContact O-N 3.31Å; K221-G223 PolarHBondContact O-N 2.5Å; K221-E250 WeakPolarHBondContact CE-OE2 3.09Å; K221-E250 IonicContact NZ-OE2 3.59Å; K221-E250 PolarHBondContact NZ-OE2 3.18Å
222	E	89.2	Confident	88.8	Confident	154 Å²	154	51.3 Å²	51.3	72%	0.72	29%	0.29	S	S	*	.	H	α-helix	trans	-70.3	-14.9	177.2	-69	174.6	177.1	0	0	113.1	E218 K219 A224	E218-E222 WeakPolarHBondContact O-CG 3.38Å; E218-E222 PolarHBondContact O-N 3.29Å; K219-E222 PolarHBondContact O-N 3.02Å; E222-A224 VanDerWaalsContact C-N 3.32Å
223	G	86.4	Confident	88.1	Confident	39 Å²	39	50.2 Å²	50.2	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	29.7	-174.7	0	0	0	0	0	112.8	K219 Y220 K221	K219-G223 PolarHBondContact O-N 3.28Å; K219-G223 VanDerWaalsContact O-N 3.13Å; Y220-G223 PolarHBondContact O-N 3.42Å; K221-G223 PolarHBondContact O-N 2.5Å
224	A	89.1	Confident	86.8	Confident	30 Å²	30	48.4 Å²	48.4	25%	0.248	28%	0.279	C	S	.	.			trans	-59	141	178.2	0	0	0	0	0	111.3	K219 E222 G226 Y227	K219-A224 HydrophobicContact CB-CB 3.99Å; K219-A224 HydrophobicContact CG-CB 4.36Å; K219-A224 WeakPolarHBondContact O-CB 3.24Å; K219-A224 PolarHBondContact O-N 3.07Å; E222-A224 VanDerWaalsContact C-N 3.32Å; A224-G226 PolarHBondContact O-N 3.15Å; A224-Y227 HydrophobicContact CB-CD2 4.24Å; A224-Y227 PolarHBondContact O-N 3.1Å
225	V	87.2	Confident	85.2	Confident	149 Å²	149	50.5 Å²	50.5	90%	0.903	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128.4	179.6	-179.9	0	0	0	0	109.8
226	G	87.3	Confident	83.5	Confident	48 Å²	48	50.8 Å²	50.8	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-11.7	-178.4	0	0	0	0	0	115.3	A224 F230	A224-G226 PolarHBondContact O-N 3.15Å; G226-F230 WeakPolarHBondContact O-CE2 3.28Å
227	Y	88.9	Confident	81.8	Confident	37 Å²	37	50.4 Å²	50.4	15%	0.145	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-0.7	178.4	-65.7	-88.6	0	0	0	113	W216 K219 Y220 A224 D229 F230	W216-Y227 HydrophobicContact CB-CD1 4.33Å; W216-Y227 HydrophobicContact CB-CE1 4.4Å; W216-Y227 AromaticContact CD1-CE1 3.64Å; W216-Y227 HydrophobicContact CG-CE1 4.13Å; K219-Y227 HydrophobicContact CB-CD1 4.07Å; K219-Y227 HydrophobicContact CB-CD2 3.95Å; K219-Y227 HydrophobicContact CB-CG 3.67Å; K219-Y227 HydrophobicContact CD-CD1 4.09Å; K219-Y227 HydrophobicContact CD-CD2 3.66Å; K219-Y227 HydrophobicContact CD-CE1 3.89Å; K219-Y227 HydrophobicContact CD-CE2 3.42Å; K219-Y227 VanDerWaalsContact CD-CE2 3.42Å; K219-Y227 HydrophobicContact CD-CG 3.99Å; K219-Y227 HydrophobicContact CG-CD2 4.4Å; K219-Y227 PolarHBondContact NZ-OH 3.31Å; K219-Y227 VanDerWaalsContact NZ-OH 3.12Å; Y220-Y227 WeakPolarHBondContact CD2-O 3.46Å; A224-Y227 HydrophobicContact CB-CD2 4.24Å; A224-Y227 PolarHBondContact O-N 3.1Å; Y227-D229 PolarHBondContact O-N 2.89Å; Y227-D229 VanDerWaalsContact O-N 3.08Å; Y227-F230 AromaticContact CD1-CD1 3.84Å; Y227-F230 HydrophobicContact CD1-CD1 3.84Å; Y227-F230 HydrophobicContact CD1-CD2 4.23Å; Y227-F230 AromaticContact CD1-CE1 3.64Å; Y227-F230 HydrophobicContact CD1-CE1 3.64Å; Y227-F230 HydrophobicContact CD1-CE2 4.04Å; Y227-F230 HydrophobicContact CD1-CG 4.13Å; Y227-F230 AromaticContact CD1-CZ 3.74Å; Y227-F230 HydrophobicContact CD1-CZ 3.74Å; Y227-F230 HydrophobicContact CE1-CD1 4.35Å; Y227-F230 AromaticContact CE1-CE1 3.73Å; Y227-F230 HydrophobicContact CE1-CE1 3.73Å; Y227-F230 HydrophobicContact CE1-CE2 4.48Å; Y227-F230 AromaticContact CE1-CZ 3.8Å; Y227-F230 HydrophobicContact CE1-CZ 3.8Å; Y227-F230 PolarHBondContact O-N 2.77Å
228	S	82.2	Confident	79.8	Confident	43 Å²	43	60.1 Å²	60.1	30%	0.301	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.6	-169.8	52.1	0	0	0	0	114.9	Y220 K253	Y220-S228 WeakPolarHBondContact CD2-O 3.27Å; Y220-S228 WeakPolarHBondContact CE2-O 2.96Å; S228-K253 PolarHBondContact O-NZ 3.44Å
229	D	87	Confident	77.9	Confident	64 Å²	64	63.4 Å²	63.4	34%	0.342	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	3.1	-172.4	-64.4	-65.9	0	0	0	113.9	Y227 Y231 N232 N268	Y227-D229 PolarHBondContact O-N 2.89Å; Y227-D229 VanDerWaalsContact O-N 3.08Å; D229-Y231 PolarHBondContact O-N 3.35Å; D229-N232 HydrophobicContact CB-CB 4.48Å; D229-N232 PolarHBondContact O-N 3.1Å; D229-N232 VanDerWaalsContact O-N 3.11Å; D229-N232 PolarHBondContact OD1-ND2 3.08Å; D229-N268 WeakPolarHBondContact O-CB 3.46Å; D229-N268 PolarHBondContact O-ND2 2.85Å; D229-N268 VanDerWaalsContact O-ND2 3.16Å
230	F	90	Very high	76.1	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.013	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25	-175.9	-95.6	-131.9	0	0	0	114.8	W216 G226 Y227 L267 N268 D271 V274 E277	W216-F230 HydrophobicContact CB-CD1 3.99Å; W216-F230 HydrophobicContact CB-CE1 4.29Å; W216-F230 HydrophobicContact CD2-CD1 4.35Å; W216-F230 HydrophobicContact CD2-CE1 4.01Å; W216-F230 HydrophobicContact CE3-CD1 4.35Å; W216-F230 HydrophobicContact CE3-CE1 4.22Å; W216-F230 HydrophobicContact CG-CD1 4.24Å; W216-F230 HydrophobicContact CG-CE1 4.06Å; G226-F230 WeakPolarHBondContact O-CE2 3.28Å; Y227-F230 AromaticContact CD1-CD1 3.84Å; Y227-F230 HydrophobicContact CD1-CD1 3.84Å; Y227-F230 HydrophobicContact CD1-CD2 4.23Å; Y227-F230 AromaticContact CD1-CE1 3.64Å; Y227-F230 HydrophobicContact CD1-CE1 3.64Å; Y227-F230 HydrophobicContact CD1-CE2 4.04Å; Y227-F230 HydrophobicContact CD1-CG 4.13Å; Y227-F230 AromaticContact CD1-CZ 3.74Å; Y227-F230 HydrophobicContact CD1-CZ 3.74Å; Y227-F230 HydrophobicContact CE1-CD1 4.35Å; Y227-F230 AromaticContact CE1-CE1 3.73Å; Y227-F230 HydrophobicContact CE1-CE1 3.73Å; Y227-F230 HydrophobicContact CE1-CE2 4.48Å; Y227-F230 AromaticContact CE1-CZ 3.8Å; Y227-F230 HydrophobicContact CE1-CZ 3.8Å; Y227-F230 PolarHBondContact O-N 2.77Å; F230-L267 CarbonylContact O-C 3.59Å; F230-L267 WeakPolarHBondContact O-CA 3.32Å; F230-N268 PolarHBondContact O-N 3.48Å; F230-D271 WeakPolarHBondContact CD2-OD2 3.13Å; F230-D271 VanDerWaalsContact CE2-OD2 3.3Å; F230-D271 WeakPolarHBondContact CE2-OD2 3.42Å; F230-V274 HydrophobicContact CB-CG2 4.02Å; F230-V274 HydrophobicContact CD1-CG2 3.64Å; F230-V274 HydrophobicContact CD2-CG2 3.67Å; F230-V274 HydrophobicContact CE1-CG2 3.95Å; F230-V274 HydrophobicContact CE2-CG2 3.97Å; F230-V274 HydrophobicContact CG-CG2 3.5Å; F230-V274 VanDerWaalsContact CG-CG2 3.5Å; F230-V274 HydrophobicContact CZ-CG2 4.12Å; F230-E277 HydrophobicContact CE1-CG 4.28Å; F230-E277 HydrophobicContact CZ-CG 4.11Å
231	Y	87.7	Confident	74.2	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	5.4	178.2	-55.7	-91.5	0	0	0	112.5	T210 W216 F217 Y220 D229 I233 A265 L266 L267	T210-Y231 VanDerWaalsContact OG1-CE1 3.25Å; T210-Y231 WeakPolarHBondContact OG1-CE1 3.48Å; T210-Y231 PolarHBondContact OG1-OH 3.3Å; W216-Y231 HydrophobicContact CB-CE2 4.4Å; W216-Y231 WeakPolarHBondContact CB-OH 3.42Å; F217-Y231 HydrophobicContact CB-CE2 4.01Å; F217-Y231 AromaticContact CD2-CD1 3.79Å; F217-Y231 HydrophobicContact CD2-CD1 3.79Å; F217-Y231 AromaticContact CD2-CD2 3.72Å; F217-Y231 HydrophobicContact CD2-CD2 3.72Å; F217-Y231 AromaticContact CD2-CE1 3.75Å; F217-Y231 HydrophobicContact CD2-CE1 3.75Å; F217-Y231 AromaticContact CD2-CE2 3.68Å; F217-Y231 HydrophobicContact CD2-CE2 3.68Å; F217-Y231 AromaticContact CD2-CG 3.78Å; F217-Y231 HydrophobicContact CD2-CG 3.78Å; F217-Y231 AromaticContact CD2-CZ 3.69Å; F217-Y231 HydrophobicContact CE2-CD1 4.13Å; F217-Y231 HydrophobicContact CE2-CD2 4.33Å; F217-Y231 HydrophobicContact CE2-CE1 4.47Å; F217-Y231 HydrophobicContact CE2-CG 4.05Å; F217-Y231 HydrophobicContact CG-CE2 4.29Å; F217-Y231 PolarHBondContact N-OH 3.22Å; Y220-Y231 AromaticContact CD1-CD2 3.64Å; Y220-Y231 HydrophobicContact CD1-CD2 3.64Å; Y220-Y231 HydrophobicContact CD1-CG 4.19Å; Y220-Y231 HydrophobicContact CD2-CD2 4.14Å; Y220-Y231 HydrophobicContact CE1-CD2 4.29Å; Y220-Y231 HydrophobicContact CE1-CG 4.43Å; Y220-Y231 AromaticContact CG-CD2 3.56Å; Y220-Y231 HydrophobicContact CG-CD2 3.56Å; Y220-Y231 HydrophobicContact CG-CE2 4.34Å; Y220-Y231 HydrophobicContact CG-CG 4.44Å; D229-Y231 PolarHBondContact O-N 3.35Å; Y231-I233 VanDerWaalsContact C-N 3.29Å; Y231-I233 PolarHBondContact O-N 3.43Å; Y231-A265 HydrophobicContact CD1-CB 3.6Å; Y231-A265 HydrophobicContact CE1-CB 3.86Å; Y231-L266 VanDerWaalsContact CD1-O 3.32Å; Y231-L266 WeakPolarHBondContact CD1-O 3.49Å; Y231-L267 HydrophobicContact CD1-CD2 4.21Å; Y231-L267 HydrophobicContact CE1-CD2 3.52Å; Y231-L267 HydrophobicContact CE1-CG 4.29Å; Y231-L267 HydrophobicContact CE2-CD2 4.44Å
232	N	82	Confident	72.4	Confident	41 Å²	41	66.7 Å²	66.7	22%	0.219	38%	0.383	C	S	.	.			trans	-82.6	72.9	-175.4	-176	14.8	0	0	0	110.8	Y220 D229 N268	Y220-N232 HydrophobicContact CE2-CB 4.24Å; D229-N232 HydrophobicContact CB-CB 4.48Å; D229-N232 PolarHBondContact O-N 3.1Å; D229-N232 VanDerWaalsContact O-N 3.11Å; D229-N232 PolarHBondContact OD1-ND2 3.08Å; N232-N268 PolarHBondContact O-ND2 3.15Å
233	I	72.5	Confident	70.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	35%	0.35	C	S	.	.			trans	-91.8	-17.9	-177.3	-37.9	177.6	0	0	0	111.6	Y231 S235 H236 F237 I256 L266 L267 N268	Y231-I233 VanDerWaalsContact C-N 3.29Å; Y231-I233 PolarHBondContact O-N 3.43Å; I233-S235 PolarHBondContact O-N 3.46Å; I233-H236 HydrophobicContact CG2-CB 4.49Å; I233-H236 WeakPolarHBondContact O-CB 2.98Å; I233-H236 PolarHBondContact O-CD2 2.84Å; I233-H236 VanDerWaalsContact O-CD2 3.31Å; I233-H236 PolarHBondContact O-N 3.25Å; I233-F237 HydrophobicContact CB-CE2 3.81Å; I233-F237 HydrophobicContact CB-CZ 4.39Å; I233-F237 HydrophobicContact CG2-CD2 4.38Å; I233-F237 HydrophobicContact CG2-CE2 3.29Å; I233-F237 HydrophobicContact CG2-CZ 3.41Å; I233-F237 VanDerWaalsContact CG2-CZ 3.41Å; I233-F237 WeakPolarHBondContact O-CD2 3.41Å; I233-F237 WeakPolarHBondContact O-CE2 3.38Å; I233-I256 HydrophobicContact CB-CD1 4.49Å; I233-L266 HydrophobicContact CD1-CB 3.78Å; I233-L266 HydrophobicContact CD1-CD2 3.69Å; I233-L266 HydrophobicContact CD1-CG 3.68Å; I233-L266 WeakPolarHBondContact CD1-O 3.27Å; I233-L267 VanDerWaalsContact CD1-O 3.28Å; I233-L267 WeakPolarHBondContact CD1-O 3.42Å; I233-N268 HydrophobicContact CG1-CB 4.02Å
234	A	60.6	Low	69.1	Low	34 Å²	34	62.1 Å²	62.1	28%	0.281	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33.8	-173.7	0	0	0	0	0	113.7	H236 F237 T247	A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.84Å; A234-F237 PolarHBondContact O-N 2.98Å; A234-T247 HydrophobicContact CB-CG2 4.25Å
235	S	57.4	Low	67.5	Low	47 Å²	47	67.1 Å²	67.1	33%	0.329	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-71.1	-22.5	-178.3	84	0	0	0	0	114.3	I233 F237 R238	I233-S235 PolarHBondContact O-N 3.46Å; S235-F237 PolarHBondContact O-N 2.94Å; S235-R238 PolarHBondContact O-NE 3.04Å
236	H	59.1	Low	66.5	Low	69 Å²	69	63.6 Å²	63.6	32%	0.319	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-72.6	-15	176.3	-58.5	-88.7	0	0	0	111.4	I233 A234 N268 E270	I233-H236 HydrophobicContact CG2-CB 4.49Å; I233-H236 WeakPolarHBondContact O-CB 2.98Å; I233-H236 PolarHBondContact O-CD2 2.84Å; I233-H236 VanDerWaalsContact O-CD2 3.31Å; I233-H236 PolarHBondContact O-N 3.25Å; A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.84Å; H236-N268 PolarHBondContact NE2-ND2 2.84Å; H236-E270 VanDerWaalsContact CE1-CD 3.44Å; H236-E270 IonicContact CE1-OE2 3.99Å; H236-E270 PolarHBondContact CE1-OE2 3.03Å; H236-E270 VanDerWaalsContact ND1-CD 3.27Å; H236-E270 IonicContact ND1-OE1 3.2Å; H236-E270 PolarHBondContact ND1-OE1 3.07Å; H236-E270 IonicContact ND1-OE2 2.72Å; H236-E270 PolarHBondContact ND1-OE2 3.35Å
237	F	57.2	Low	65.6	Low	19 Å²	19	62.9 Å²	62.9	8%	0.083	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-106.3	19.6	-173.8	-54.3	-57	0	0	0	114.8	I233 A234 S235 N239 S240 P243 I256 L304	I233-F237 HydrophobicContact CB-CE2 3.81Å; I233-F237 HydrophobicContact CB-CZ 4.39Å; I233-F237 HydrophobicContact CG2-CD2 4.38Å; I233-F237 HydrophobicContact CG2-CE2 3.29Å; I233-F237 HydrophobicContact CG2-CZ 3.41Å; I233-F237 VanDerWaalsContact CG2-CZ 3.41Å; I233-F237 WeakPolarHBondContact O-CD2 3.41Å; I233-F237 WeakPolarHBondContact O-CE2 3.38Å; A234-F237 PolarHBondContact O-N 2.98Å; S235-F237 PolarHBondContact O-N 2.94Å; F237-N239 PolarHBondContact O-N 2.73Å; F237-S240 PolarHBondContact O-N 3.36Å; F237-P243 HydrophobicContact CB-CB 3.79Å; F237-P243 HydrophobicContact CB-CG 3.55Å; F237-P243 HydrophobicContact CD1-CB 4.38Å; F237-P243 HydrophobicContact CD1-CG 3.65Å; F237-P243 HydrophobicContact CD2-CB 3.49Å; F237-P243 VanDerWaalsContact CD2-CB 3.49Å; F237-P243 HydrophobicContact CD2-CG 3.71Å; F237-P243 HydrophobicContact CE1-CG 4.32Å; F237-P243 HydrophobicContact CE2-CB 4.16Å; F237-P243 HydrophobicContact CE2-CG 4.33Å; F237-P243 HydrophobicContact CG-CB 3.63Å; F237-P243 HydrophobicContact CG-CG 3.34Å; F237-I256 HydrophobicContact CD2-CD1 4.22Å; F237-I256 HydrophobicContact CE2-CD1 3.59Å; F237-I256 HydrophobicContact CZ-CD1 4.43Å; F237-L304 HydrophobicContact CD1-CD2 3.89Å; F237-L304 HydrophobicContact CE1-CB 3.54Å; F237-L304 HydrophobicContact CE1-CD1 4.39Å; F237-L304 HydrophobicContact CE1-CD2 3.22Å; F237-L304 HydrophobicContact CE1-CG 3.83Å; F237-L304 WeakPolarHBondContact CE1-O 3.24Å; F237-L304 HydrophobicContact CE2-CD2 4.37Å; F237-L304 HydrophobicContact CZ-CB 3.62Å; F237-L304 HydrophobicContact CZ-CD1 3.89Å; F237-L304 HydrophobicContact CZ-CD2 3.52Å; F237-L304 HydrophobicContact CZ-CG 3.83Å
238	R	48.2	Very low	64.9	Low	205 Å²	205	63.5 Å²	63.5	77%	0.774	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-18.1	-179.5	-80.4	-175.6	-110.1	-147.8	-0	114.7	S235	S235-R238 PolarHBondContact O-NE 3.04Å
239	N	52.3	Low	64.5	Low	171 Å²	171	65.9 Å²	65.9	91%	0.914	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	4.9	178.8	-68.7	-7.5	0	0	0	114.9	F237	F237-N239 PolarHBondContact O-N 2.73Å
240	S	53.1	Low	63.7	Low	53 Å²	53	66.9 Å²	66.9	37%	0.371	37%	0.372	S	S	.	.			trans	-118.2	130.2	178.2	-176.5	0	0	0	0	110.9	F237 V242 P243	F237-S240 PolarHBondContact O-N 3.36Å; S240-V242 VanDerWaalsContact C-N 3.26Å; S240-V242 PolarHBondContact O-N 2.66Å; S240-V242 PolarHBondContact OG-N 2.94Å; S240-P243 VanDerWaalsContact O-CD 3.3Å; S240-P243 WeakPolarHBondContact O-CD 3.49Å
241	T	51.5	Low	62.9	Low	122 Å²	122	70.7 Å²	70.7	75%	0.748	41%	0.412	S	S	*	.	S	Bend	trans	-75.5	-14	175.9	40.8	0	0	0	0	113.3	S244	T241-S244 PolarHBondContact O-OG 2.74Å
242	V	52.5	Low	62	Low	72 Å²	72	76.4 Å²	76.4	44%	0.436	45%	0.452	S	S	.	.	S	Bend	trans	-69.5	-42.5	-173.9	-170.2	0	0	0	0	112.6	S240 S244	S240-V242 VanDerWaalsContact C-N 3.26Å; S240-V242 PolarHBondContact O-N 2.66Å; S240-V242 PolarHBondContact OG-N 2.94Å; V242-S244 PolarHBondContact O-N 2.86Å
243	P	54	Low	61.7	Low	4 Å²	4	76.4 Å²	76.4	3%	0.026	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-78.8	-21.1	-169.2	-25.9	44.1	0	0	0	114.3	F237 S240 L245 L246 T247 I256 L304	F237-P243 HydrophobicContact CB-CB 3.79Å; F237-P243 HydrophobicContact CB-CG 3.55Å; F237-P243 HydrophobicContact CD1-CB 4.38Å; F237-P243 HydrophobicContact CD1-CG 3.65Å; F237-P243 HydrophobicContact CD2-CB 3.49Å; F237-P243 VanDerWaalsContact CD2-CB 3.49Å; F237-P243 HydrophobicContact CD2-CG 3.71Å; F237-P243 HydrophobicContact CE1-CG 4.32Å; F237-P243 HydrophobicContact CE2-CB 4.16Å; F237-P243 HydrophobicContact CE2-CG 4.33Å; F237-P243 HydrophobicContact CG-CB 3.63Å; F237-P243 HydrophobicContact CG-CG 3.34Å; S240-P243 VanDerWaalsContact O-CD 3.3Å; S240-P243 WeakPolarHBondContact O-CD 3.49Å; P243-L245 PolarHBondContact O-N 2.97Å; P243-L246 PolarHBondContact O-N 3.37Å; P243-L246 VanDerWaalsContact O-N 3.13Å; P243-T247 WeakPolarHBondContact O-CB 3.39Å; P243-T247 PolarHBondContact O-N 3.33Å; P243-T247 PolarHBondContact O-OG1 2.92Å; P243-I256 HydrophobicContact CB-CD1 4.34Å; P243-L304 HydrophobicContact CG-CD2 4Å
244	S	51.3	Low	61.9	Low	92 Å²	92	77.2 Å²	77.2	64%	0.643	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.1	178.5	59	0	0	0	0	113.1	T241 V242	T241-S244 PolarHBondContact O-OG 2.74Å; V242-S244 PolarHBondContact O-N 2.86Å
245	L	54.9	Low	62.8	Low	135 Å²	135	76.9 Å²	76.9	71%	0.707	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-81.2	-16.9	177.9	-72.1	171.5	0	0	0	113.8	P243	P243-L245 PolarHBondContact O-N 2.97Å
246	L	66.8	Low	63.6	Low	76 Å²	76	74.8 Å²	74.8	40%	0.398	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-22.4	-178.6	-62.8	173.4	0	0	0	112	P243 V248 I256 P257	P243-L246 PolarHBondContact O-N 3.37Å; P243-L246 VanDerWaalsContact O-N 3.13Å; L246-V248 PolarHBondContact O-N 3.17Å; L246-I256 HydrophobicContact CB-CG2 4.12Å; L246-P257 WeakPolarHBondContact O-CD 3.1Å
247	T	68.8	Low	64.3	Low	32 Å²	32	72.5 Å²	72.5	20%	0.196	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-69.6	124.2	-176.2	-56.6	0	0	0	0	111.5	A234 P243 Y255	A234-T247 HydrophobicContact CB-CG2 4.25Å; P243-T247 WeakPolarHBondContact O-CB 3.39Å; P243-T247 PolarHBondContact O-N 3.33Å; P243-T247 PolarHBondContact O-OG1 2.92Å; T247-Y255 WeakPolarHBondContact CA-O 3.48Å
248	V	74.9	Confident	64.6	Low	51 Å²	51	73 Å²	73	31%	0.309	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.4	170	178.7	0	0	0	0	108.2	L246 E250 S254 Y255 P257	L246-V248 PolarHBondContact O-N 3.17Å; V248-E250 HydrophobicContact CG1-CG 4.32Å; V248-S254 CarbonylContact O-C 3.58Å; V248-S254 VanDerWaalsContact O-CA 3.3Å; V248-S254 WeakPolarHBondContact O-CA 3.38Å; V248-Y255 HydrophobicContact CB-CD1 4.38Å; V248-Y255 HydrophobicContact CB-CE1 3.91Å; V248-Y255 HydrophobicContact CB-CE2 4.36Å; V248-Y255 HydrophobicContact CG1-CE1 3.81Å; V248-Y255 PolarHBondContact N-O 3.22Å; V248-Y255 PolarHBondContact O-N 3.38Å; V248-P257 HydrophobicContact CG2-CG 3.88Å
249	S	72.4	Confident	65.3	Low	92 Å²	92	66.9 Å²	66.9	64%	0.643	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.2	175.5	-59.6	0	0	0	0	109.9	K253	S249-K253 WeakPolarHBondContact CA-O 3.37Å
250	E	71.4	Confident	65.3	Low	86 Å²	86	69.7 Å²	69.7	40%	0.402	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	101.4	174	-75.6	-177.5	-156.9	0	0	108.6	K221 V248 S252 K253 Y255	K221-E250 WeakPolarHBondContact CE-OE2 3.09Å; K221-E250 IonicContact NZ-OE2 3.59Å; K221-E250 PolarHBondContact NZ-OE2 3.18Å; V248-E250 HydrophobicContact CG1-CG 4.32Å; E250-S252 PolarHBondContact O-N 2.96Å; E250-K253 CarbonylContact C-O 3.54Å; E250-K253 PolarHBondContact N-O 3.3Å; E250-K253 PolarHBondContact O-N 3.15Å; E250-Y255 HydrophobicContact CG-CE1 4.48Å; E250-Y255 PolarHBondContact OE1-OH 3.38Å
251	G	72.3	Confident	65.2	Low	83 Å²	83	72 Å²	72	86%	0.856	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-125.2	-176.4	0	0	0	0	0	112.4	K253	G251-K253 VanDerWaalsContact C-N 3.3Å
252	S	68.6	Low	65.7	Low	119 Å²	119	69.4 Å²	69.4	83%	0.832	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.2	177.1	60.2	0	0	0	0	113.7	E250	E250-S252 PolarHBondContact O-N 2.96Å
253	K	76.6	Confident	66.7	Low	41 Å²	41	72.2 Å²	72.2	18%	0.178	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147	-174.7	-62.8	-57.2	-170.1	170.7	0	110.7	Y220 S228 S249 E250 G251	Y220-K253 HydrophobicContact CD2-CD 4.41Å; Y220-K253 HydrophobicContact CE1-CB 3.79Å; Y220-K253 HydrophobicContact CE1-CD 4.32Å; Y220-K253 HydrophobicContact CE1-CG 4.22Å; Y220-K253 HydrophobicContact CE2-CD 3.8Å; Y220-K253 VanDerWaalsContact O-CE 3.26Å; Y220-K253 WeakPolarHBondContact O-CE 3.22Å; S228-K253 PolarHBondContact O-NZ 3.44Å; S249-K253 WeakPolarHBondContact CA-O 3.37Å; E250-K253 CarbonylContact C-O 3.54Å; E250-K253 PolarHBondContact N-O 3.3Å; E250-K253 PolarHBondContact O-N 3.15Å; G251-K253 VanDerWaalsContact C-N 3.3Å
254	S	76.3	Confident	68	Low	18 Å²	18	72.2 Å²	72.2	13%	0.126	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.4	177.1	58.1	0	0	0	0	110.3	Y220 V248	Y220-S254 PolarHBondContact OH-N 3.44Å; Y220-S254 PolarHBondContact OH-O 3.35Å; V248-S254 CarbonylContact O-C 3.58Å; V248-S254 VanDerWaalsContact O-CA 3.3Å; V248-S254 WeakPolarHBondContact O-CA 3.38Å
255	Y	78.8	Confident	69.6	Low	27 Å²	27	67.9 Å²	67.9	11%	0.106	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	163.2	173.9	67.3	-80.7	0	0	0	110.2	V212 F217 T247 V248 E250 P257 A265	V212-Y255 HydrophobicContact CG1-CE2 4.21Å; F217-Y255 HydrophobicContact CE2-CD1 4.03Å; F217-Y255 HydrophobicContact CE2-CD2 4.09Å; F217-Y255 HydrophobicContact CE2-CE1 4.48Å; F217-Y255 AromaticContact CE2-CG 3.82Å; F217-Y255 HydrophobicContact CE2-CG 3.82Å; F217-Y255 AromaticContact CZ-CD1 3.62Å; F217-Y255 HydrophobicContact CZ-CD1 3.62Å; F217-Y255 HydrophobicContact CZ-CD2 4.06Å; F217-Y255 AromaticContact CZ-CE1 3.67Å; F217-Y255 HydrophobicContact CZ-CE1 3.67Å; F217-Y255 HydrophobicContact CZ-CE2 4.09Å; F217-Y255 AromaticContact CZ-CG 3.83Å; F217-Y255 HydrophobicContact CZ-CG 3.83Å; F217-Y255 AromaticContact CZ-CZ 3.89Å; T247-Y255 WeakPolarHBondContact CA-O 3.48Å; V248-Y255 HydrophobicContact CB-CD1 4.38Å; V248-Y255 HydrophobicContact CB-CE1 3.91Å; V248-Y255 HydrophobicContact CB-CE2 4.36Å; V248-Y255 HydrophobicContact CG1-CE1 3.81Å; V248-Y255 PolarHBondContact N-O 3.22Å; V248-Y255 PolarHBondContact O-N 3.38Å; E250-Y255 HydrophobicContact CG-CE1 4.48Å; E250-Y255 PolarHBondContact OE1-OH 3.38Å; Y255-P257 HydrophobicContact CE2-CB 4.32Å; Y255-A265 HydrophobicContact CD2-CB 3.58Å; Y255-A265 HydrophobicContact CE2-CB 4.21Å; Y255-A265 HydrophobicContact CG-CB 4.26Å
256	I	75	Confident	70.9	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	35%	0.35	C	S	.	.			trans	-105.7	118.7	175.1	-62.4	175.7	0	0	0	107.6	I233 F237 P243 L246 L266	I233-I256 HydrophobicContact CB-CD1 4.49Å; F237-I256 HydrophobicContact CD2-CD1 4.22Å; F237-I256 HydrophobicContact CE2-CD1 3.59Å; F237-I256 HydrophobicContact CZ-CD1 4.43Å; P243-I256 HydrophobicContact CB-CD1 4.34Å; L246-I256 HydrophobicContact CB-CG2 4.12Å; I256-L266 HydrophobicContact CB-CB 4.31Å; I256-L266 WeakPolarHBondContact O-CB 3.44Å; I256-L266 PolarHBondContact O-N 3.01Å
257	P	72.9	Confident	71.9	Confident	20 Å²	20	57.8 Å²	57.8	13%	0.13	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-74.3	143.2	172.8	32	-29.9	0	0	0	110.3	L246 V248 Y255 V264	L246-P257 WeakPolarHBondContact O-CD 3.1Å; V248-P257 HydrophobicContact CG2-CG 3.88Å; Y255-P257 HydrophobicContact CE2-CB 4.32Å; P257-V264 CarbonylContact C-O 3.42Å; P257-V264 WeakPolarHBondContact CA-O 3.14Å
258	S	64.3	Low	72.6	Confident	30 Å²	30	56.7 Å²	56.7	21%	0.21	32%	0.324	C	S	.	.	S	Bend	trans	-66	-40.3	179.9	-168.1	0	0	0	0	112.3	V264 L300	S258-V264 PolarHBondContact N-O 3.42Å; S258-L300 WeakPolarHBondContact OG-CD1 3.14Å
259	K	63.5	Low	72.8	Confident	76 Å²	76	54.5 Å²	54.5	33%	0.33	31%	0.311	S	S	.	.	S	Bend	trans	-136.9	146.7	173.7	-55.2	-171.7	-147.9	135.3	0	109.3	E170 A261 E262	E170-K259 IonicContact OE1-NZ 2.72Å; E170-K259 IonicContact OE2-NZ 3.98Å; E170-K259 PolarHBondContact OE2-NZ 3.16Å; K259-A261 PolarHBondContact O-N 3.39Å; K259-E262 HydrophobicContact CB-CB 4.17Å; K259-E262 HydrophobicContact CB-CG 4.03Å; K259-E262 WeakPolarHBondContact CB-OE2 3.3Å; K259-E262 VanDerWaalsContact CD-CD 3.5Å; K259-E262 WeakPolarHBondContact CD-OE1 3.49Å; K259-E262 VanDerWaalsContact CD-OE2 3.26Å; K259-E262 WeakPolarHBondContact CD-OE2 2.99Å; K259-E262 WeakPolarHBondContact CE-OE1 3.22Å; K259-E262 VanDerWaalsContact CE-OE2 3.3Å; K259-E262 WeakPolarHBondContact CE-OE2 3.24Å; K259-E262 VanDerWaalsContact CG-OE2 3.29Å; K259-E262 WeakPolarHBondContact CG-OE2 3.09Å; K259-E262 VanDerWaalsContact NZ-CD 3.35Å; K259-E262 IonicContact NZ-OE1 2.86Å; K259-E262 PolarHBondContact NZ-OE1 3.11Å; K259-E262 IonicContact NZ-OE2 3.54Å; K259-E262 PolarHBondContact NZ-OE2 2.82Å; K259-E262 PolarHBondContact O-N 3.35Å
260	R	50.6	Low	73.1	Confident	231 Å²	231	54.4 Å²	54.4	87%	0.872	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.6	-171.3	-159.5	179.9	-105.1	163.4	-5.2	114.5
261	A	50.6	Low	73.7	Confident	102 Å²	102	52.1 Å²	52.1	84%	0.843	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-4.2	178.9	0	0	0	0	0	113.7	K259	K259-A261 PolarHBondContact O-N 3.39Å
262	E	62.3	Low	74.3	Confident	66 Å²	66	52.8 Å²	52.8	31%	0.308	28%	0.275	S	S	.	.	S	Bend	trans	-105.3	142.9	-171.8	-67.9	175.4	179.7	0	0	112	K259 V264	K259-E262 HydrophobicContact CB-CB 4.17Å; K259-E262 HydrophobicContact CB-CG 4.03Å; K259-E262 WeakPolarHBondContact CB-OE2 3.3Å; K259-E262 VanDerWaalsContact CD-CD 3.5Å; K259-E262 WeakPolarHBondContact CD-OE1 3.49Å; K259-E262 VanDerWaalsContact CD-OE2 3.26Å; K259-E262 WeakPolarHBondContact CD-OE2 2.99Å; K259-E262 WeakPolarHBondContact CE-OE1 3.22Å; K259-E262 VanDerWaalsContact CE-OE2 3.3Å; K259-E262 WeakPolarHBondContact CE-OE2 3.24Å; K259-E262 VanDerWaalsContact CG-OE2 3.29Å; K259-E262 WeakPolarHBondContact CG-OE2 3.09Å; K259-E262 VanDerWaalsContact NZ-CD 3.35Å; K259-E262 IonicContact NZ-OE1 2.86Å; K259-E262 PolarHBondContact NZ-OE1 3.11Å; K259-E262 IonicContact NZ-OE2 3.54Å; K259-E262 PolarHBondContact NZ-OE2 2.82Å; K259-E262 PolarHBondContact O-N 3.35Å; E262-V264 HydrophobicContact CB-CG2 3.81Å; E262-V264 PolarHBondContact O-N 2.82Å
263	K	74.6	Confident	75.2	Confident	131 Å²	131	47.9 Å²	47.9	57%	0.57	24%	0.243	S	C	*	.			trans	-79.8	34.9	179.8	-73.4	-173.4	-177	179.3	0	112.6	D171 S211 V212	D171-K263 VanDerWaalsContact OD1-O 3.11Å; S211-K263 CarbonylContact C-O 3.58Å; S211-K263 WeakPolarHBondContact CA-O 3.12Å; V212-K263 WeakPolarHBondContact CG1-O 3.19Å; V212-K263 HydrophobicContact CG2-CB 3.75Å; V212-K263 HydrophobicContact CG2-CD 4.25Å; V212-K263 HydrophobicContact CG2-CG 4.13Å; V212-K263 PolarHBondContact N-O 3.23Å
264	V	80.5	Confident	75.8	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.3	-179	-69.8	0	0	0	0	111.4	D171 T210 P257 S258 E262	D171-V264 HydrophobicContact CB-CG1 4.32Å; D171-V264 WeakPolarHBondContact OD1-CG1 3.37Å; T210-V264 CarbonylContact O-C 3.56Å; T210-V264 WeakPolarHBondContact O-CA 3.16Å; P257-V264 CarbonylContact C-O 3.42Å; P257-V264 WeakPolarHBondContact CA-O 3.14Å; S258-V264 PolarHBondContact N-O 3.42Å; E262-V264 HydrophobicContact CB-CG2 3.81Å; E262-V264 PolarHBondContact O-N 2.82Å
265	A	84.8	Confident	76.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.2	-179	0	0	0	0	0	111.4	V209 T210 F217 Y231 Y255	V209-A265 WeakPolarHBondContact CA-O 3.47Å; T210-A265 PolarHBondContact N-O 2.65Å; T210-A265 PolarHBondContact O-N 2.63Å; F217-A265 HydrophobicContact CD2-CB 3.84Å; F217-A265 HydrophobicContact CE2-CB 3.48Å; F217-A265 VanDerWaalsContact CE2-CB 3.48Å; F217-A265 HydrophobicContact CZ-CB 4.31Å; Y231-A265 HydrophobicContact CD1-CB 3.6Å; Y231-A265 HydrophobicContact CE1-CB 3.86Å; Y255-A265 HydrophobicContact CD2-CB 3.58Å; Y255-A265 HydrophobicContact CE2-CB 4.21Å; Y255-A265 HydrophobicContact CG-CB 4.26Å
266	L	82.9	Confident	76.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.5	177	-161.8	66.5	0	0	0	111	V209 Y231 I233 I256 L300 F301 L304	V209-L266 HydrophobicContact CG1-CD1 3.54Å; Y231-L266 VanDerWaalsContact CD1-O 3.32Å; Y231-L266 WeakPolarHBondContact CD1-O 3.49Å; I233-L266 HydrophobicContact CD1-CB 3.78Å; I233-L266 HydrophobicContact CD1-CD2 3.69Å; I233-L266 HydrophobicContact CD1-CG 3.68Å; I233-L266 WeakPolarHBondContact CD1-O 3.27Å; I256-L266 HydrophobicContact CB-CB 4.31Å; I256-L266 WeakPolarHBondContact O-CB 3.44Å; I256-L266 PolarHBondContact O-N 3.01Å; L266-L300 HydrophobicContact CD1-CB 4.4Å; L266-L300 HydrophobicContact CD1-CD1 4.28Å; L266-L300 HydrophobicContact CD2-CB 4.37Å; L266-F301 HydrophobicContact CD1-CD2 3.88Å; L266-F301 HydrophobicContact CD1-CE1 4.48Å; L266-F301 HydrophobicContact CD1-CE2 3.1Å; L266-F301 HydrophobicContact CD1-CZ 3.47Å; L266-F301 VanDerWaalsContact CD1-CZ 3.47Å; L266-F301 HydrophobicContact CD2-CE1 4.09Å; L266-F301 HydrophobicContact CD2-CE2 4.08Å; L266-F301 HydrophobicContact CD2-CZ 3.82Å; L266-F301 HydrophobicContact CG-CD2 4.5Å; L266-F301 HydrophobicContact CG-CE1 4.13Å; L266-F301 HydrophobicContact CG-CE2 3.64Å; L266-F301 HydrophobicContact CG-CZ 3.4Å; L266-L304 HydrophobicContact CD2-CD1 4.11Å
267	L	86.8	Confident	77.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.			trans	-75.5	145	176.6	-70.7	169.5	0	0	0	111.7	V208 T210 W216 F230 Y231 I233 L269 V274 L278 F301	V208-L267 WeakPolarHBondContact O-CB 3.47Å; V208-L267 PolarHBondContact O-N 2.97Å; T210-L267 HydrophobicContact CG2-CD1 3.89Å; T210-L267 HydrophobicContact CG2-CD2 3.98Å; T210-L267 HydrophobicContact CG2-CG 4.01Å; W216-L267 HydrophobicContact CE3-CD2 4.21Å; W216-L267 HydrophobicContact CZ3-CD1 4.3Å; F230-L267 CarbonylContact O-C 3.59Å; F230-L267 WeakPolarHBondContact O-CA 3.32Å; Y231-L267 HydrophobicContact CD1-CD2 4.21Å; Y231-L267 HydrophobicContact CE1-CD2 3.52Å; Y231-L267 HydrophobicContact CE1-CG 4.29Å; Y231-L267 HydrophobicContact CE2-CD2 4.44Å; I233-L267 VanDerWaalsContact CD1-O 3.28Å; I233-L267 WeakPolarHBondContact CD1-O 3.42Å; L267-L269 HydrophobicContact CB-CD2 4.13Å; L267-L269 PolarHBondContact O-N 3.49Å; L267-L269 VanDerWaalsContact O-N 3.1Å; L267-V274 HydrophobicContact CB-CG1 3.98Å; L267-V274 HydrophobicContact CD1-CG1 4.19Å; L267-V274 HydrophobicContact CD2-CG1 4.47Å; L267-V274 HydrophobicContact CD2-CG2 4.44Å; L267-V274 HydrophobicContact CG-CG1 4.46Å; L267-L278 HydrophobicContact CD1-CD2 4.45Å; L267-F301 WeakPolarHBondContact O-CZ 3.29Å
268	N	83.6	Confident	78.3	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.043	26%	0.26	C	S	.	.			trans	-77.5	94.5	168.9	-174.4	0.3	0	0	0	109.8	D229 F230 N232 I233 H236 E270 D271 V274	D229-N268 WeakPolarHBondContact O-CB 3.46Å; D229-N268 PolarHBondContact O-ND2 2.85Å; D229-N268 VanDerWaalsContact O-ND2 3.16Å; F230-N268 PolarHBondContact O-N 3.48Å; N232-N268 PolarHBondContact O-ND2 3.15Å; I233-N268 HydrophobicContact CG1-CB 4.02Å; H236-N268 PolarHBondContact NE2-ND2 2.84Å; N268-E270 PolarHBondContact O-N 3.2Å; N268-E270 PolarHBondContact OD1-N 3.28Å; N268-E270 VanDerWaalsContact OD1-N 3.17Å; N268-D271 HydrophobicContact CB-CB 4.33Å; N268-D271 WeakPolarHBondContact O-CB 3.44Å; N268-D271 PolarHBondContact O-N 3.43Å; N268-D271 VanDerWaalsContact O-N 3.13Å; N268-V274 WeakPolarHBondContact O-CB 3.13Å; N268-V274 WeakPolarHBondContact O-CG2 3.45Å
269	L	79.9	Confident	79.5	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.4	-177.2	-61.4	179.6	0	0	0	113.8	V208 L267 V274 Q275 L278 F301 L310	V208-L269 HydrophobicContact CB-CD1 3.94Å; V208-L269 HydrophobicContact CB-CD2 4.12Å; V208-L269 HydrophobicContact CG1-CD1 3.96Å; V208-L269 HydrophobicContact CG1-CD2 4.01Å; V208-L269 HydrophobicContact CG2-CD1 4.29Å; L267-L269 HydrophobicContact CB-CD2 4.13Å; L267-L269 PolarHBondContact O-N 3.49Å; L267-L269 VanDerWaalsContact O-N 3.1Å; L269-V274 HydrophobicContact CD2-CG1 3.92Å; L269-Q275 WeakPolarHBondContact O-CG 3.3Å; L269-Q275 PolarHBondContact O-NE2 2.8Å; L269-L278 HydrophobicContact CD2-CD1 3.7Å; L269-F301 HydrophobicContact CB-CE1 4.14Å; L269-F301 HydrophobicContact CB-CZ 4.48Å; L269-F301 HydrophobicContact CD1-CD1 3.78Å; L269-F301 HydrophobicContact CD1-CD2 3.95Å; L269-F301 HydrophobicContact CD1-CE1 3.39Å; L269-F301 HydrophobicContact CD1-CE2 3.51Å; L269-F301 HydrophobicContact CD1-CG 4.03Å; L269-F301 HydrophobicContact CD1-CZ 3.22Å; L269-F301 HydrophobicContact CG-CD1 4.41Å; L269-F301 HydrophobicContact CG-CE1 3.61Å; L269-F301 HydrophobicContact CG-CE2 4.23Å; L269-F301 HydrophobicContact CG-CZ 3.49Å; L269-F301 VanDerWaalsContact CG-CZ 3.49Å; L269-L310 HydrophobicContact CB-CD1 4.12Å; L269-L310 HydrophobicContact CB-CD2 4.12Å; L269-L310 HydrophobicContact CD1-CD2 3.36Å; L269-L310 HydrophobicContact CD2-CD1 4.33Å; L269-L310 HydrophobicContact CD2-CD2 4.49Å; L269-L310 HydrophobicContact CG-CD2 4.18Å
270	E	77.8	Confident	80.8	Confident	91 Å²	91	52.5 Å²	52.5	43%	0.425	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-24.1	170.3	-64.3	-168.4	-173.4	0	0	112.2	H236 N268 N272 Q275 V305	H236-E270 VanDerWaalsContact CE1-CD 3.44Å; H236-E270 IonicContact CE1-OE2 3.99Å; H236-E270 PolarHBondContact CE1-OE2 3.03Å; H236-E270 VanDerWaalsContact ND1-CD 3.27Å; H236-E270 IonicContact ND1-OE1 3.2Å; H236-E270 PolarHBondContact ND1-OE1 3.07Å; H236-E270 IonicContact ND1-OE2 2.72Å; H236-E270 PolarHBondContact ND1-OE2 3.35Å; N268-E270 PolarHBondContact O-N 3.2Å; N268-E270 PolarHBondContact OD1-N 3.28Å; N268-E270 VanDerWaalsContact OD1-N 3.17Å; E270-N272 PolarHBondContact O-N 3.34Å; E270-Q275 PolarHBondContact O-NE2 3.03Å; E270-V305 HydrophobicContact CG-CG1 4.15Å
271	D	83.8	Confident	82.8	Confident	37 Å²	37	41.6 Å²	41.6	20%	0.198	23%	0.228	C	C	.	.			trans	-66.1	130.2	179.1	-179.7	64	0	0	0	111.5	F230 N268 G273 V274 Q275	F230-D271 WeakPolarHBondContact CD2-OD2 3.13Å; F230-D271 VanDerWaalsContact CE2-OD2 3.3Å; F230-D271 WeakPolarHBondContact CE2-OD2 3.42Å; N268-D271 HydrophobicContact CB-CB 4.33Å; N268-D271 WeakPolarHBondContact O-CB 3.44Å; N268-D271 PolarHBondContact O-N 3.43Å; N268-D271 VanDerWaalsContact O-N 3.13Å; D271-G273 VanDerWaalsContact C-N 3.28Å; D271-G273 PolarHBondContact O-N 2.98Å; D271-G273 WeakPolarHBondContact OD2-CA 3.41Å; D271-G273 PolarHBondContact OD2-N 2.86Å; D271-V274 HydrophobicContact CB-CB 4.23Å; D271-V274 HydrophobicContact CB-CG2 4Å; D271-V274 PolarHBondContact O-N 2.83Å; D271-V274 PolarHBondContact OD2-N 3.15Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.41Å; D271-Q275 PolarHBondContact O-N 2.9Å; D271-Q275 VanDerWaalsContact O-N 3.09Å
272	N	85.6	Confident	84.7	Confident	98 Å²	98	36.8 Å²	36.8	52%	0.524	19%	0.188	S	C	.	.	H	α-helix	trans	-67.9	-30.9	-179.7	-71.8	-38.1	0	0	0	111.6	E270 Q275 M276 K313	E270-N272 PolarHBondContact O-N 3.34Å; N272-Q275 PolarHBondContact O-N 3.34Å; N272-Q275 PolarHBondContact OD1-OE1 3.45Å; N272-M276 WeakPolarHBondContact O-CB 3.4Å; N272-M276 VanDerWaalsContact O-CG 3.27Å; N272-M276 WeakPolarHBondContact O-CG 3.31Å; N272-M276 PolarHBondContact O-N 2.82Å; N272-K313 PolarHBondContact OD1-NZ 2.89Å
273	G	88.9	Confident	86.1	Confident	15 Å²	15	34.9 Å²	34.9	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-49.1	175.8	0	0	0	0	0	111.7	D271 Q275 M276 E277	D271-G273 VanDerWaalsContact C-N 3.28Å; D271-G273 PolarHBondContact O-N 2.98Å; D271-G273 WeakPolarHBondContact OD2-CA 3.41Å; D271-G273 PolarHBondContact OD2-N 2.86Å; G273-Q275 VanDerWaalsContact C-N 3.34Å; G273-Q275 PolarHBondContact O-N 3.13Å; G273-M276 PolarHBondContact O-N 3.32Å; G273-E277 WeakPolarHBondContact O-CG 3.32Å; G273-E277 PolarHBondContact O-N 3.48Å
274	V	89.1	Confident	87	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.1	-46.9	173.9	173.6	0	0	0	0	111.3	F230 L267 N268 L269 D271 M276 E277 L278	F230-V274 HydrophobicContact CB-CG2 4.02Å; F230-V274 HydrophobicContact CD1-CG2 3.64Å; F230-V274 HydrophobicContact CD2-CG2 3.67Å; F230-V274 HydrophobicContact CE1-CG2 3.95Å; F230-V274 HydrophobicContact CE2-CG2 3.97Å; F230-V274 HydrophobicContact CG-CG2 3.5Å; F230-V274 VanDerWaalsContact CG-CG2 3.5Å; F230-V274 HydrophobicContact CZ-CG2 4.12Å; L267-V274 HydrophobicContact CB-CG1 3.98Å; L267-V274 HydrophobicContact CD1-CG1 4.19Å; L267-V274 HydrophobicContact CD2-CG1 4.47Å; L267-V274 HydrophobicContact CD2-CG2 4.44Å; L267-V274 HydrophobicContact CG-CG1 4.46Å; N268-V274 WeakPolarHBondContact O-CB 3.13Å; N268-V274 WeakPolarHBondContact O-CG2 3.45Å; L269-V274 HydrophobicContact CD2-CG1 3.92Å; D271-V274 HydrophobicContact CB-CB 4.23Å; D271-V274 HydrophobicContact CB-CG2 4Å; D271-V274 PolarHBondContact O-N 2.83Å; D271-V274 PolarHBondContact OD2-N 3.15Å; V274-M276 VanDerWaalsContact C-N 3.34Å; V274-M276 PolarHBondContact O-N 2.81Å; V274-E277 PolarHBondContact O-N 2.94Å; V274-L278 HydrophobicContact CG1-CD1 4.03Å; V274-L278 HydrophobicContact CG1-CG 4.42Å; V274-L278 WeakPolarHBondContact O-CG 3.29Å; V274-L278 PolarHBondContact O-N 3.21Å
275	Q	85.5	Confident	87.7	Confident	19 Å²	19	30.9 Å²	30.9	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-40.9	179.2	-69.9	163.4	16	0	0	112.4	L269 E270 D271 N272 G273 A279 L310	L269-Q275 WeakPolarHBondContact O-CG 3.3Å; L269-Q275 PolarHBondContact O-NE2 2.8Å; E270-Q275 PolarHBondContact O-NE2 3.03Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.41Å; D271-Q275 PolarHBondContact O-N 2.9Å; D271-Q275 VanDerWaalsContact O-N 3.09Å; N272-Q275 PolarHBondContact O-N 3.34Å; N272-Q275 PolarHBondContact OD1-OE1 3.45Å; G273-Q275 VanDerWaalsContact C-N 3.34Å; G273-Q275 PolarHBondContact O-N 3.13Å; Q275-A279 VanDerWaalsContact O-CB 3.29Å; Q275-A279 WeakPolarHBondContact O-CB 3.13Å; Q275-A279 PolarHBondContact O-N 3.34Å; Q275-L310 HydrophobicContact CG-CD1 4.43Å
276	M	87.6	Confident	88.1	Confident	117 Å²	117	31.7 Å²	31.7	58%	0.576	17%	0.171	S	C	*	.	H	α-helix	trans	-64.9	-43.9	176.2	-75	-175.5	-59.9	0	0	111.8	N272 G273 V274 A279 N280	N272-M276 WeakPolarHBondContact O-CB 3.4Å; N272-M276 VanDerWaalsContact O-CG 3.27Å; N272-M276 WeakPolarHBondContact O-CG 3.31Å; N272-M276 PolarHBondContact O-N 2.82Å; G273-M276 PolarHBondContact O-N 3.32Å; V274-M276 VanDerWaalsContact C-N 3.34Å; V274-M276 PolarHBondContact O-N 2.81Å; M276-A279 PolarHBondContact O-N 3.39Å; M276-N280 WeakPolarHBondContact O-CB 3.5Å; M276-N280 PolarHBondContact O-N 3.34Å; M276-N280 PolarHBondContact O-ND2 2.85Å
277	E	91.3	Very high	88.6	Confident	55 Å²	55	36.7 Å²	36.7	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-41.4	178.7	-69.1	-74.5	-164.9	0	0	111.9	W216 F230 G273 V274 N280 A281	W216-E277 HydrophobicContact CH2-CB 3.68Å; W216-E277 HydrophobicContact CH2-CG 4.48Å; W216-E277 HydrophobicContact CZ2-CB 3.6Å; W216-E277 HydrophobicContact CZ2-CG 3.98Å; W216-E277 HydrophobicContact CZ3-CB 4.45Å; F230-E277 HydrophobicContact CE1-CG 4.28Å; F230-E277 HydrophobicContact CZ-CG 4.11Å; G273-E277 WeakPolarHBondContact O-CG 3.32Å; G273-E277 PolarHBondContact O-N 3.48Å; V274-E277 PolarHBondContact O-N 2.94Å; E277-N280 PolarHBondContact O-N 2.83Å; E277-A281 PolarHBondContact O-N 3.44Å
278	L	90.7	Very high	89	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-39.5	174.1	-68.8	177.2	0	0	0	112.1	L206 V208 L267 L269 V274 N280 A281 L282 L314	L206-L278 HydrophobicContact CD1-CD2 4.23Å; L206-L278 HydrophobicContact CG-CD2 4.42Å; V208-L278 HydrophobicContact CG1-CD1 4.35Å; L267-L278 HydrophobicContact CD1-CD2 4.45Å; L269-L278 HydrophobicContact CD2-CD1 3.7Å; V274-L278 HydrophobicContact CG1-CD1 4.03Å; V274-L278 HydrophobicContact CG1-CG 4.42Å; V274-L278 WeakPolarHBondContact O-CG 3.29Å; V274-L278 PolarHBondContact O-N 3.21Å; L278-N280 VanDerWaalsContact C-N 3.35Å; L278-A281 PolarHBondContact O-N 2.88Å; L278-L282 WeakPolarHBondContact O-CB 3.11Å; L278-L282 PolarHBondContact O-N 3.47Å; L278-L314 HydrophobicContact CB-CD2 4.12Å
279	A	88.4	Confident	89.5	Confident	25 Å²	25	40.9 Å²	40.9	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-37.6	174.6	0	0	0	0	0	112.1	Q275 M276 L282 S283 A317	Q275-A279 VanDerWaalsContact O-CB 3.29Å; Q275-A279 WeakPolarHBondContact O-CB 3.13Å; Q275-A279 PolarHBondContact O-N 3.34Å; M276-A279 PolarHBondContact O-N 3.39Å; A279-L282 WeakPolarHBondContact O-CB 3.4Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-S283 WeakPolarHBondContact O-CB 3.24Å; A279-S283 PolarHBondContact O-N 3.45Å; A279-A317 HydrophobicContact CB-CB 3.88Å
280	N	90.9	Very high	90.2	Very high	97 Å²	97	40.6 Å²	40.6	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-43.5	174.2	-71.6	-22.8	0	0	0	111.5	M276 E277 L278 L282 S283 F284	M276-N280 WeakPolarHBondContact O-CB 3.5Å; M276-N280 PolarHBondContact O-N 3.34Å; M276-N280 PolarHBondContact O-ND2 2.85Å; E277-N280 PolarHBondContact O-N 2.83Å; L278-N280 VanDerWaalsContact C-N 3.35Å; N280-L282 VanDerWaalsContact C-N 3.33Å; N280-S283 PolarHBondContact O-N 2.88Å; N280-F284 WeakPolarHBondContact O-CB 3.46Å; N280-F284 PolarHBondContact O-N 2.82Å
281	A	93.3	Very high	91	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-44.7	174.1	0	0	0	0	0	111.1	H175 V176 L206 E277 L278 S283 F284 W285	H175-A281 HydrophobicContact CB-CB 3.73Å; V176-A281 HydrophobicContact CG1-CB 4.01Å; L206-A281 HydrophobicContact CD1-CB 4.26Å; E277-A281 PolarHBondContact O-N 3.44Å; L278-A281 PolarHBondContact O-N 2.88Å; A281-S283 PolarHBondContact O-N 3.21Å; A281-F284 WeakPolarHBondContact O-CB 2.97Å; A281-F284 PolarHBondContact O-N 2.74Å; A281-W285 PolarHBondContact O-N 3.18Å
282	L	91.4	Very high	91.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-50.7	174.6	-167.3	158.9	0	0	0	111	L278 A279 N280 F284 W285 A286 F293 A318	L278-L282 WeakPolarHBondContact O-CB 3.11Å; L278-L282 PolarHBondContact O-N 3.47Å; A279-L282 WeakPolarHBondContact O-CB 3.4Å; A279-L282 PolarHBondContact O-N 2.94Å; N280-L282 VanDerWaalsContact C-N 3.33Å; L282-F284 VanDerWaalsContact C-N 3.32Å; L282-F284 PolarHBondContact O-N 3.19Å; L282-W285 PolarHBondContact O-N 2.86Å; L282-A286 HydrophobicContact CD2-CB 4.37Å; L282-A286 VanDerWaalsContact O-CB 3.29Å; L282-A286 WeakPolarHBondContact O-CB 3.43Å; L282-A286 PolarHBondContact O-N 3.48Å; L282-F293 HydrophobicContact CB-CZ 4.42Å; L282-F293 HydrophobicContact CD1-CD2 3.97Å; L282-F293 HydrophobicContact CD1-CE2 4.27Å; L282-F293 HydrophobicContact CD1-CG 4.35Å; L282-F293 HydrophobicContact CD2-CD2 4.12Å; L282-F293 HydrophobicContact CD2-CE2 3.62Å; L282-F293 HydrophobicContact CD2-CZ 4.14Å; L282-F293 HydrophobicContact CG-CD1 4.44Å; L282-F293 HydrophobicContact CG-CD2 3.65Å; L282-F293 HydrophobicContact CG-CE1 4.26Å; L282-F293 HydrophobicContact CG-CE2 3.46Å; L282-F293 VanDerWaalsContact CG-CE2 3.46Å; L282-F293 HydrophobicContact CG-CG 4.15Å; L282-F293 HydrophobicContact CG-CZ 3.78Å; L282-F293 WeakPolarHBondContact O-CZ 3.45Å; L282-A318 HydrophobicContact CD1-CB 4.03Å; L282-A318 HydrophobicContact CD2-CB 3.92Å
283	S	90.8	Very high	91.6	Very high	26 Å²	26	30 Å²	30	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-55.6	-46.6	176.5	178	0	0	0	0	111.8	A279 N280 A281 W285 A286 D287 K321	A279-S283 WeakPolarHBondContact O-CB 3.24Å; A279-S283 PolarHBondContact O-N 3.45Å; N280-S283 PolarHBondContact O-N 2.88Å; A281-S283 PolarHBondContact O-N 3.21Å; S283-W285 VanDerWaalsContact C-N 3.27Å; S283-W285 PolarHBondContact O-N 3.43Å; S283-A286 PolarHBondContact O-N 3.46Å; S283-D287 WeakPolarHBondContact O-CB 3.48Å; S283-D287 PolarHBondContact O-N 2.99Å; S283-D287 PolarHBondContact OG-OD2 3.24Å; S283-K321 WeakPolarHBondContact OG-CE 3.49Å; S283-K321 PolarHBondContact OG-NZ 3.17Å
284	F	93.9	Very high	91.5	Very high	52 Å²	52	29.6 Å²	29.6	23%	0.228	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-39.7	-178.4	172.7	-88.6	0	0	0	112.8	V176 L185 N280 A281 L282 R288	V176-F284 HydrophobicContact CB-CD1 4.03Å; V176-F284 HydrophobicContact CB-CE1 4.1Å; V176-F284 HydrophobicContact CB-CG 4.25Å; V176-F284 HydrophobicContact CB-CZ 4.37Å; V176-F284 HydrophobicContact CG1-CB 4.23Å; V176-F284 HydrophobicContact CG1-CD1 4.1Å; V176-F284 HydrophobicContact CG1-CG 4.08Å; V176-F284 WeakPolarHBondContact O-CE1 3.29Å; V176-F284 WeakPolarHBondContact O-CZ 3.32Å; L185-F284 HydrophobicContact CD1-CE1 4.24Å; L185-F284 HydrophobicContact CD1-CZ 4.2Å; L185-F284 HydrophobicContact CD2-CZ 4.04Å; N280-F284 WeakPolarHBondContact O-CB 3.46Å; N280-F284 PolarHBondContact O-N 2.82Å; A281-F284 WeakPolarHBondContact O-CB 2.97Å; A281-F284 PolarHBondContact O-N 2.74Å; L282-F284 VanDerWaalsContact C-N 3.32Å; L282-F284 PolarHBondContact O-N 3.19Å; F284-R288 VanDerWaalsContact CD2-NH1 3.26Å; F284-R288 PolarHBondContact O-NH1 3.36Å
285	W	95.3	Very high	91.3	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-81.8	-36.1	178.2	-67.6	119.6	0	0	0	112.4	L162 H175 I178 L185 F188 L204 A281 L282 S283 D287 R288 G289 V290 F293	L162-W285 HydrophobicContact CD2-CZ2 3.64Å; H175-W285 PolarHBondContact O-NE1 2.98Å; I178-W285 HydrophobicContact CD1-CH2 3.51Å; I178-W285 HydrophobicContact CD1-CZ2 4.42Å; I178-W285 HydrophobicContact CD1-CZ3 4.1Å; I178-W285 HydrophobicContact CG1-CH2 3.96Å; L185-W285 HydrophobicContact CD1-CH2 4.03Å; L185-W285 HydrophobicContact CD1-CZ3 3.87Å; F188-W285 HydrophobicContact CD1-CE3 4.03Å; F188-W285 AromaticContact CD1-CZ3 3.62Å; F188-W285 HydrophobicContact CD1-CZ3 3.62Å; F188-W285 HydrophobicContact CD2-CZ3 4.35Å; F188-W285 AromaticContact CE1-CE3 3.49Å; F188-W285 HydrophobicContact CE1-CE3 3.49Å; F188-W285 VanDerWaalsContact CE1-CE3 3.49Å; F188-W285 AromaticContact CE1-CZ3 3.56Å; F188-W285 HydrophobicContact CE1-CZ3 3.56Å; F188-W285 HydrophobicContact CE2-CZ3 4.3Å; F188-W285 HydrophobicContact CG-CZ3 4.02Å; F188-W285 AromaticContact CZ-CE3 3.78Å; F188-W285 HydrophobicContact CZ-CE3 3.78Å; F188-W285 AromaticContact CZ-CZ3 3.91Å; F188-W285 HydrophobicContact CZ-CZ3 3.91Å; L204-W285 HydrophobicContact CD2-CB 4.1Å; L204-W285 HydrophobicContact CD2-CD2 3.41Å; L204-W285 VanDerWaalsContact CD2-CD2 3.41Å; L204-W285 HydrophobicContact CD2-CE3 3.99Å; L204-W285 HydrophobicContact CD2-CG 3.43Å; L204-W285 VanDerWaalsContact CD2-CG 3.43Å; L204-W285 HydrophobicContact CD2-CZ2 4.3Å; A281-W285 PolarHBondContact O-N 3.18Å; L282-W285 PolarHBondContact O-N 2.86Å; S283-W285 VanDerWaalsContact C-N 3.27Å; S283-W285 PolarHBondContact O-N 3.43Å; W285-D287 VanDerWaalsContact C-N 3.33Å; W285-D287 PolarHBondContact O-N 3.22Å; W285-R288 WeakPolarHBondContact O-CB 3.46Å; W285-R288 PolarHBondContact O-N 3.39Å; W285-R288 VanDerWaalsContact O-N 3.09Å; W285-G289 PolarHBondContact O-N 2.78Å; W285-V290 HydrophobicContact CB-CB 4.24Å; W285-V290 HydrophobicContact CB-CG2 3.93Å; W285-V290 WeakPolarHBondContact O-CB 3.47Å; W285-V290 WeakPolarHBondContact O-CG2 3.22Å; W285-V290 PolarHBondContact O-N 3.02Å; W285-F293 HydrophobicContact CB-CE1 3.66Å; W285-F293 HydrophobicContact CB-CZ 3.68Å; W285-F293 HydrophobicContact CG-CE1 4.26Å
286	A	92.8	Very high	91.1	Very high	17 Å²	17	30.2 Å²	30.2	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-40.6	174.8	0	0	0	0	0	111.6	L282 S283 R288 G289 K321 I325	L282-A286 HydrophobicContact CD2-CB 4.37Å; L282-A286 VanDerWaalsContact O-CB 3.29Å; L282-A286 WeakPolarHBondContact O-CB 3.43Å; L282-A286 PolarHBondContact O-N 3.48Å; S283-A286 PolarHBondContact O-N 3.46Å; A286-R288 PolarHBondContact O-N 3.34Å; A286-R288 VanDerWaalsContact O-N 3.16Å; A286-G289 PolarHBondContact O-N 3.39Å; A286-K321 HydrophobicContact CB-CB 4.28Å; A286-I325 HydrophobicContact CB-CD1 3.87Å
287	D	93.2	Very high	90.4	Very high	105 Å²	105	25.5 Å²	25.5	56%	0.561	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	175.9	-66.2	-25	0	0	0	112.2	S283 W285 K321	S283-D287 WeakPolarHBondContact O-CB 3.48Å; S283-D287 PolarHBondContact O-N 2.99Å; S283-D287 PolarHBondContact OG-OD2 3.24Å; W285-D287 VanDerWaalsContact C-N 3.33Å; W285-D287 PolarHBondContact O-N 3.22Å; D287-K321 IonicContact OD1-NZ 2.74Å; D287-K321 PolarHBondContact OD1-NZ 3.44Å; D287-K321 IonicContact OD2-NZ 3.49Å; D287-K321 PolarHBondContact OD2-NZ 3.18Å
288	R	94.7	Very high	88.9	Confident	74 Å²	74	23.1 Å²	23.1	28%	0.279	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.4	173.5	-73.9	174.2	171.2	70.8	6.4	114.2	F188 D189 V192 F284 W285 A286	F188-R288 HydrophobicContact CE1-CB 4.45Å; D189-R288 VanDerWaalsContact OD1-CD 3.25Å; D189-R288 WeakPolarHBondContact OD1-CD 3.41Å; D189-R288 WeakPolarHBondContact OD1-CG 3.49Å; D189-R288 IonicContact OD1-NE 2.9Å; V192-R288 WeakPolarHBondContact CG1-O 3.42Å; F284-R288 VanDerWaalsContact CD2-NH1 3.26Å; F284-R288 PolarHBondContact O-NH1 3.36Å; W285-R288 WeakPolarHBondContact O-CB 3.46Å; W285-R288 PolarHBondContact O-N 3.39Å; W285-R288 VanDerWaalsContact O-N 3.09Å; A286-R288 PolarHBondContact O-N 3.34Å; A286-R288 VanDerWaalsContact O-N 3.16Å
289	G	94	Very high	87.4	Confident	21 Å²	21	26.5 Å²	26.5	22%	0.216	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	11	176.7	0	0	0	0	0	115.1	H196 W285 A286 D291	H196-G289 PolarHBondContact CE1-O 3.43Å; H196-G289 PolarHBondContact NE2-O 3.37Å; W285-G289 PolarHBondContact O-N 2.78Å; A286-G289 PolarHBondContact O-N 3.39Å; G289-D291 PolarHBondContact O-N 2.98Å
290	V	95.3	Very high	85.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.			trans	-60	131.2	170.7	174.3	0	0	0	0	110.1	F188 L204 W285 G292 F293	F188-V290 HydrophobicContact CE1-CG2 3.94Å; F188-V290 HydrophobicContact CZ-CG2 3.58Å; L204-V290 HydrophobicContact CB-CG1 3.96Å; W285-V290 HydrophobicContact CB-CB 4.24Å; W285-V290 HydrophobicContact CB-CG2 3.93Å; W285-V290 WeakPolarHBondContact O-CB 3.47Å; W285-V290 WeakPolarHBondContact O-CG2 3.22Å; W285-V290 PolarHBondContact O-N 3.02Å; V290-G292 WeakPolarHBondContact CG1-O 3.19Å; V290-F293 HydrophobicContact CB-CZ 4.13Å; V290-F293 HydrophobicContact CG1-CE1 3.98Å; V290-F293 HydrophobicContact CG1-CE2 4.06Å; V290-F293 HydrophobicContact CG1-CZ 3.73Å
291	D	93.9	Very high	84.4	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.021	14%	0.138	C	C	.	.			trans	-93.4	-20.1	-174.5	-61.1	-69.6	0	0	0	112.9	W113 H196 Y201 V202 G289 K322 I325 G326	W113-D291 HydrophobicContact CH2-CB 4.45Å; W113-D291 HydrophobicContact CZ2-CB 3.85Å; W113-D291 VanDerWaalsContact CZ2-O 3.24Å; W113-D291 WeakPolarHBondContact CZ2-O 3.31Å; H196-D291 IonicContact CD2-OD2 2.65Å; H196-D291 IonicContact CE1-OD2 2.97Å; H196-D291 IonicContact NE2-OD1 3.64Å; H196-D291 IonicContact NE2-OD2 2.81Å; H196-D291 PolarHBondContact NE2-OD2 3.24Å; Y201-D291 VanDerWaalsContact CA-OD2 3.32Å; Y201-D291 WeakPolarHBondContact CA-OD2 3.24Å; Y201-D291 HydrophobicContact CD1-CB 4.02Å; V202-D291 PolarHBondContact N-OD2 2.87Å; V202-D291 WeakPolarHBondContact O-CA 3.48Å; V202-D291 WeakPolarHBondContact O-CB 3.3Å; V202-D291 PolarHBondContact O-N 2.96Å; G289-D291 PolarHBondContact O-N 2.98Å; D291-K322 IonicContact OD1-NZ 3.46Å; D291-K322 PolarHBondContact OD1-NZ 3.24Å; D291-I325 VanDerWaalsContact O-CA 3.22Å; D291-I325 WeakPolarHBondContact O-CA 3.27Å; D291-G326 PolarHBondContact O-N 2.99Å
292	G	92	Very high	82.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	166.4	178.2	0	0	0	0	0	114.1	V202 V203 L204 V290 G326	V202-G292 PolarHBondContact O-N 3.1Å; V203-G292 CarbonylContact C-O 3.45Å; V203-G292 VanDerWaalsContact CA-O 3.26Å; V203-G292 WeakPolarHBondContact CA-O 3.42Å; L204-G292 PolarHBondContact N-O 3.49Å; V290-G292 WeakPolarHBondContact CG1-O 3.19Å; G292-G326 CarbonylContact C-O 3.33Å; G292-G326 WeakPolarHBondContact CA-O 3.47Å
293	F	90.5	Very high	80.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.7	178.3	-63.7	-88.2	0	0	0	110.5	L204 L206 L282 W285 V290 I325 G326 L327 F328	L204-F293 HydrophobicContact CB-CD1 4.25Å; L204-F293 HydrophobicContact CB-CE1 4.32Å; L204-F293 HydrophobicContact CD2-CE1 4.47Å; L204-F293 CarbonylContact O-C 3.58Å; L204-F293 VanDerWaalsContact O-CA 3.24Å; L204-F293 WeakPolarHBondContact O-CA 3.14Å; L206-F293 HydrophobicContact CB-CD1 4.36Å; L282-F293 HydrophobicContact CB-CZ 4.42Å; L282-F293 HydrophobicContact CD1-CD2 3.97Å; L282-F293 HydrophobicContact CD1-CE2 4.27Å; L282-F293 HydrophobicContact CD1-CG 4.35Å; L282-F293 HydrophobicContact CD2-CD2 4.12Å; L282-F293 HydrophobicContact CD2-CE2 3.62Å; L282-F293 HydrophobicContact CD2-CZ 4.14Å; L282-F293 HydrophobicContact CG-CD1 4.44Å; L282-F293 HydrophobicContact CG-CD2 3.65Å; L282-F293 HydrophobicContact CG-CE1 4.26Å; L282-F293 HydrophobicContact CG-CE2 3.46Å; L282-F293 VanDerWaalsContact CG-CE2 3.46Å; L282-F293 HydrophobicContact CG-CG 4.15Å; L282-F293 HydrophobicContact CG-CZ 3.78Å; L282-F293 WeakPolarHBondContact O-CZ 3.45Å; W285-F293 HydrophobicContact CB-CE1 3.66Å; W285-F293 HydrophobicContact CB-CZ 3.68Å; W285-F293 HydrophobicContact CG-CE1 4.26Å; V290-F293 HydrophobicContact CB-CZ 4.13Å; V290-F293 HydrophobicContact CG1-CE1 3.98Å; V290-F293 HydrophobicContact CG1-CE2 4.06Å; V290-F293 HydrophobicContact CG1-CZ 3.73Å; F293-I325 HydrophobicContact CD2-CG2 3.92Å; F293-I325 HydrophobicContact CE2-CG2 4.18Å; F293-G326 PolarHBondContact N-O 3.31Å; F293-L327 HydrophobicContact CB-CD1 4.02Å; F293-L327 WeakPolarHBondContact O-CA 3.21Å; F293-F328 WeakPolarHBondContact O-CD2 3.29Å; F293-F328 PolarHBondContact O-N 3.1Å
294	F	87.5	Confident	78.5	Confident	5 Å²	5	34.5 Å²	34.5	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118	171.6	-170	-75.1	0	0	0	109.5	R157 V203 L204 D205 L206 T296 F328 T330 L357	R157-F294 VanDerWaalsContact CZ-CD2 3.46Å; R157-F294 VanDerWaalsContact NH1-CE2 3.26Å; R157-F294 VanDerWaalsContact NH2-CG 3.29Å; V203-F294 HydrophobicContact CG1-CB 4.18Å; L204-F294 PolarHBondContact O-N 3.32Å; D205-F294 WeakPolarHBondContact CA-O 3.46Å; L206-F294 PolarHBondContact N-O 3.25Å; F294-T296 HydrophobicContact CD1-CG2 3.7Å; F294-T296 HydrophobicContact CE1-CG2 4.11Å; F294-T296 PolarHBondContact O-N 2.63Å; F294-F328 CarbonylContact C-O 3.59Å; F294-F328 WeakPolarHBondContact CA-O 3.48Å; F294-F328 HydrophobicContact CB-CB 4.35Å; F294-F328 HydrophobicContact CD2-CB 3.49Å; F294-F328 VanDerWaalsContact CD2-CB 3.49Å; F294-F328 HydrophobicContact CD2-CG 4.45Å; F294-F328 HydrophobicContact CE2-CB 4.14Å; F294-F328 HydrophobicContact CG-CB 4.17Å; F294-T330 HydrophobicContact CE1-CG2 3.9Å; F294-T330 HydrophobicContact CZ-CG2 3.83Å; F294-L357 HydrophobicContact CD2-CD1 4.36Å; F294-L357 HydrophobicContact CE2-CD1 4.41Å; F294-L357 HydrophobicContact CE2-CD2 3.87Å
295	L	84.7	Confident	76.6	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	112.3	177.7	-55.6	-170.8	0	0	0	110.3	L206 F311 L314 L327 F328	L206-L295 HydrophobicContact CB-CD2 3.91Å; L206-L295 HydrophobicContact CD2-CD2 3.76Å; L206-L295 HydrophobicContact CG-CD2 4.09Å; L206-L295 WeakPolarHBondContact O-CA 3.48Å; L295-F311 HydrophobicContact CD1-CD1 4Å; L295-F311 HydrophobicContact CD1-CE1 3.33Å; L295-F311 HydrophobicContact CD1-CZ 3.77Å; L295-F311 HydrophobicContact CG-CE1 4.16Å; L295-L314 HydrophobicContact CD1-CD1 3.63Å; L295-L314 HydrophobicContact CD2-CD1 4Å; L295-L314 HydrophobicContact CG-CD1 4.47Å; L295-L327 HydrophobicContact CD2-CD1 4.13Å; L295-L327 HydrophobicContact CG-CD1 4.2Å; L295-F328 PolarHBondContact N-O 3.21Å
296	T	81.4	Confident	74.8	Confident	32 Å²	32	38.4 Å²	38.4	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.7	177.5	59.1	0	0	0	0	111.1	D205 L206 P207 V208 F294 A298	D205-T296 HydrophobicContact CB-CG2 4.02Å; L206-T296 PolarHBondContact O-N 2.91Å; P207-T296 VanDerWaalsContact CA-OG1 3.24Å; P207-T296 WeakPolarHBondContact CA-OG1 3.42Å; P207-T296 WeakPolarHBondContact CB-OG1 3.48Å; V208-T296 WeakPolarHBondContact CG2-O 3.48Å; V208-T296 PolarHBondContact N-O 3.39Å; F294-T296 HydrophobicContact CD1-CG2 3.7Å; F294-T296 HydrophobicContact CE1-CG2 4.11Å; F294-T296 PolarHBondContact O-N 2.63Å; T296-A298 VanDerWaalsContact C-N 3.28Å
297	G	72.9	Confident	73.2	Confident	18 Å²	18	39.3 Å²	39.3	19%	0.186	22%	0.217	C	C	.	.	S	Bend	trans	84.5	-2.8	-171.7	0	0	0	0	0	114.4	S299	G297-S299 PolarHBondContact O-N 3.25Å
298	A	59.8	Low	71.7	Confident	5 Å²	5	37.5 Å²	37.5	4%	0.041	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.1	179.4	0	0	0	0	0	114.5	T296 L300 F301 Q302 V331	T296-A298 VanDerWaalsContact C-N 3.28Å; A298-L300 VanDerWaalsContact C-N 3.28Å; A298-L300 PolarHBondContact O-N 3.21Å; A298-F301 WeakPolarHBondContact O-CA 3.42Å; A298-F301 WeakPolarHBondContact O-CB 3.45Å; A298-F301 PolarHBondContact O-N 2.88Å; A298-Q302 PolarHBondContact O-N 3.19Å; A298-V331 HydrophobicContact CB-CG2 4.2Å
299	S	58	Low	70.4	Confident	71 Å²	71	37.4 Å²	37.4	50%	0.497	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.6	-179.6	46.8	0	0	0	0	112.4	G297 F301 Q302 T330	G297-S299 PolarHBondContact O-N 3.25Å; S299-F301 PolarHBondContact O-N 3.46Å; S299-Q302 PolarHBondContact O-N 2.57Å; S299-T330 PolarHBondContact N-OG1 2.83Å
300	L	57.8	Low	69.1	Low	47 Å²	47	37 Å²	37	25%	0.246	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.7	-28.3	174.2	-67.5	166.5	0	0	0	111.6	S258 L266 A298 L304	S258-L300 WeakPolarHBondContact OG-CD1 3.14Å; L266-L300 HydrophobicContact CD1-CB 4.4Å; L266-L300 HydrophobicContact CD1-CD1 4.28Å; L266-L300 HydrophobicContact CD2-CB 4.37Å; A298-L300 VanDerWaalsContact C-N 3.28Å; A298-L300 PolarHBondContact O-N 3.21Å; L300-L304 WeakPolarHBondContact O-CD1 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.1Å
301	F	58.4	Low	68	Low	11 Å²	11	37.7 Å²	37.7	5%	0.048	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-77.5	-21.2	-178.4	-74.1	-84.7	0	0	0	114.6	V208 L266 L267 L269 A298 S299 E303 L304 V305	V208-F301 HydrophobicContact CB-CE2 4.01Å; V208-F301 HydrophobicContact CG2-CD2 3.88Å; V208-F301 HydrophobicContact CG2-CE2 3.46Å; V208-F301 VanDerWaalsContact CG2-CE2 3.46Å; V208-F301 HydrophobicContact CG2-CZ 4.48Å; L266-F301 HydrophobicContact CD1-CD2 3.88Å; L266-F301 HydrophobicContact CD1-CE1 4.48Å; L266-F301 HydrophobicContact CD1-CE2 3.1Å; L266-F301 HydrophobicContact CD1-CZ 3.47Å; L266-F301 VanDerWaalsContact CD1-CZ 3.47Å; L266-F301 HydrophobicContact CD2-CE1 4.09Å; L266-F301 HydrophobicContact CD2-CE2 4.08Å; L266-F301 HydrophobicContact CD2-CZ 3.82Å; L266-F301 HydrophobicContact CG-CD2 4.5Å; L266-F301 HydrophobicContact CG-CE1 4.13Å; L266-F301 HydrophobicContact CG-CE2 3.64Å; L266-F301 HydrophobicContact CG-CZ 3.4Å; L267-F301 WeakPolarHBondContact O-CZ 3.29Å; L269-F301 HydrophobicContact CB-CE1 4.14Å; L269-F301 HydrophobicContact CB-CZ 4.48Å; L269-F301 HydrophobicContact CD1-CD1 3.78Å; L269-F301 HydrophobicContact CD1-CD2 3.95Å; L269-F301 HydrophobicContact CD1-CE1 3.39Å; L269-F301 HydrophobicContact CD1-CE2 3.51Å; L269-F301 HydrophobicContact CD1-CG 4.03Å; L269-F301 HydrophobicContact CD1-CZ 3.22Å; L269-F301 HydrophobicContact CG-CD1 4.41Å; L269-F301 HydrophobicContact CG-CE1 3.61Å; L269-F301 HydrophobicContact CG-CE2 4.23Å; L269-F301 HydrophobicContact CG-CZ 3.49Å; L269-F301 VanDerWaalsContact CG-CZ 3.49Å; A298-F301 WeakPolarHBondContact O-CA 3.42Å; A298-F301 WeakPolarHBondContact O-CB 3.45Å; A298-F301 PolarHBondContact O-N 2.88Å; S299-F301 PolarHBondContact O-N 3.46Å; F301-E303 PolarHBondContact O-N 3.04Å; F301-E303 VanDerWaalsContact O-N 3.14Å; F301-L304 PolarHBondContact O-N 3.46Å; F301-V305 HydrophobicContact CD1-CB 4.26Å; F301-V305 HydrophobicContact CD1-CG2 3.77Å; F301-V305 HydrophobicContact CE1-CG2 4.23Å; F301-V305 PolarHBondContact O-N 2.94Å; F301-V305 VanDerWaalsContact O-N 3.13Å
302	Q	51.7	Low	66.9	Low	72 Å²	72	40.2 Å²	40.2	34%	0.336	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-55.6	-32.6	177.9	-72.2	-175.4	16.1	0	0	111.9	A298 S299 T330 V331 T334	A298-Q302 PolarHBondContact O-N 3.19Å; S299-Q302 PolarHBondContact O-N 2.57Å; Q302-T330 PolarHBondContact NE2-O 2.7Å; Q302-V331 HydrophobicContact CG-CB 4.3Å; Q302-V331 HydrophobicContact CG-CG1 4.17Å; Q302-V331 HydrophobicContact CG-CG2 3.75Å; Q302-V331 VanDerWaalsContact NE2-CA 3.27Å; Q302-T334 PolarHBondContact NE2-OG1 2.89Å; Q302-T334 PolarHBondContact OE1-OG1 3.2Å
303	E	50.1	Low	66	Low	158 Å²	158	44.9 Å²	44.9	74%	0.738	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-86.6	-14	177.5	-62.5	-171.9	170.7	0	0	113.3	F301	F301-E303 PolarHBondContact O-N 3.04Å; F301-E303 VanDerWaalsContact O-N 3.14Å
304	L	51.4	Low	65.4	Low	31 Å²	31	45 Å²	45	16%	0.162	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-25.7	-155.3	-63.3	179.3	0	0	0	115.6	F237 P243 L266 L300 F301	F237-L304 HydrophobicContact CD1-CD2 3.89Å; F237-L304 HydrophobicContact CE1-CB 3.54Å; F237-L304 HydrophobicContact CE1-CD1 4.39Å; F237-L304 HydrophobicContact CE1-CD2 3.22Å; F237-L304 HydrophobicContact CE1-CG 3.83Å; F237-L304 WeakPolarHBondContact CE1-O 3.24Å; F237-L304 HydrophobicContact CE2-CD2 4.37Å; F237-L304 HydrophobicContact CZ-CB 3.62Å; F237-L304 HydrophobicContact CZ-CD1 3.89Å; F237-L304 HydrophobicContact CZ-CD2 3.52Å; F237-L304 HydrophobicContact CZ-CG 3.83Å; P243-L304 HydrophobicContact CG-CD2 4Å; L266-L304 HydrophobicContact CD2-CD1 4.11Å; L300-L304 WeakPolarHBondContact O-CD1 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.1Å; F301-L304 PolarHBondContact O-N 3.46Å
305	V	53.6	Low	64.9	Low	26 Å²	26	49.7 Å²	49.7	16%	0.158	28%	0.276	C	S	.	.	S	Bend	trans	-143.1	149	-174.1	-177.2	0	0	0	0	111.6	E270 F301 S307	E270-V305 HydrophobicContact CG-CG1 4.15Å; F301-V305 HydrophobicContact CD1-CB 4.26Å; F301-V305 HydrophobicContact CD1-CG2 3.77Å; F301-V305 HydrophobicContact CE1-CG2 4.23Å; F301-V305 PolarHBondContact O-N 2.94Å; F301-V305 VanDerWaalsContact O-N 3.13Å; V305-S307 PolarHBondContact O-N 2.98Å
306	N	56.3	Low	64.6	Low	109 Å²	109	53.4 Å²	53.4	58%	0.583	30%	0.301	S	S	*	.			trans	-65	84.5	167.9	-171.3	-0	0	0	0	109.8	S308 T309	N306-S308 PolarHBondContact O-N 3.48Å; N306-S308 PolarHBondContact OD1-OG 3.41Å; N306-T309 PolarHBondContact O-N 3.25Å; N306-T309 PolarHBondContact O-OG1 3.22Å
307	S	59.1	Low	64.4	Low	36 Å²	36	52.9 Å²	52.9	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-53.1	-28.4	-173.4	61.6	0	0	0	0	113.3	V305 T309 L310 F311	V305-S307 PolarHBondContact O-N 2.98Å; S307-T309 VanDerWaalsContact C-N 3.3Å; S307-T309 PolarHBondContact O-N 3.41Å; S307-L310 PolarHBondContact O-N 2.68Å; S307-F311 WeakPolarHBondContact O-CD2 3.4Å; S307-F311 PolarHBondContact O-N 2.84Å
308	S	63.1	Low	64.6	Low	66 Å²	66	52.1 Å²	52.1	46%	0.462	29%	0.292	S	S	.	.	H	α-helix	trans	-54.7	-38.8	-177.5	66.2	0	0	0	0	114.1	N306 A312	N306-S308 PolarHBondContact O-N 3.48Å; N306-S308 PolarHBondContact OD1-OG 3.41Å; S308-A312 VanDerWaalsContact O-CB 3.24Å; S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 3.03Å
309	T	65.8	Low	65.5	Low	72 Å²	72	56.2 Å²	56.2	44%	0.442	31%	0.307	S	S	.	.	H	α-helix	trans	-74.2	-42.2	-176.1	56.8	0	0	0	0	112.2	N306 S307 A312 K313	N306-T309 PolarHBondContact O-N 3.25Å; N306-T309 PolarHBondContact O-OG1 3.22Å; S307-T309 VanDerWaalsContact C-N 3.3Å; S307-T309 PolarHBondContact O-N 3.41Å; T309-A312 PolarHBondContact O-N 2.86Å; T309-K313 WeakPolarHBondContact O-CG 3.3Å; T309-K313 PolarHBondContact O-N 3.42Å
310	L	67.9	Low	66.4	Low	12 Å²	12	60.8 Å²	60.8	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-52.1	174.6	173.6	72.1	0	0	0	110.7	L269 Q275 S307 A312 K313 L314	L269-L310 HydrophobicContact CB-CD1 4.12Å; L269-L310 HydrophobicContact CB-CD2 4.12Å; L269-L310 HydrophobicContact CD1-CD2 3.36Å; L269-L310 HydrophobicContact CD2-CD1 4.33Å; L269-L310 HydrophobicContact CD2-CD2 4.49Å; L269-L310 HydrophobicContact CG-CD2 4.18Å; Q275-L310 HydrophobicContact CG-CD1 4.43Å; S307-L310 PolarHBondContact O-N 2.68Å; L310-A312 VanDerWaalsContact C-N 3.26Å; L310-A312 PolarHBondContact O-N 3.01Å; L310-K313 PolarHBondContact O-N 3.27Å; L310-K313 VanDerWaalsContact O-N 3.15Å; L310-L314 HydrophobicContact CD1-CD1 3.82Å; L310-L314 HydrophobicContact CD1-CG 4.05Å; L310-L314 HydrophobicContact CD2-CD1 4.39Å; L310-L314 HydrophobicContact CG-CD1 3.86Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 PolarHBondContact O-N 3.35Å
311	F	71.5	Confident	67.5	Low	15 Å²	15	63.2 Å²	63.2	7%	0.066	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-39.9	179.8	-80.5	-69.8	0	0	0	111.1	L295 S307 R315 L327 S329 V331	L295-F311 HydrophobicContact CD1-CD1 4Å; L295-F311 HydrophobicContact CD1-CE1 3.33Å; L295-F311 HydrophobicContact CD1-CZ 3.77Å; L295-F311 HydrophobicContact CG-CE1 4.16Å; S307-F311 WeakPolarHBondContact O-CD2 3.4Å; S307-F311 PolarHBondContact O-N 2.84Å; F311-R315 WeakPolarHBondContact O-CA 3.48Å; F311-R315 WeakPolarHBondContact O-CB 3Å; F311-R315 PolarHBondContact O-N 3.42Å; F311-L327 HydrophobicContact CD1-CD2 3.94Å; F311-L327 HydrophobicContact CD1-CG 4.4Å; F311-S329 WeakPolarHBondContact CZ-OG 3.27Å; F311-V331 HydrophobicContact CE2-CB 4.44Å; F311-V331 HydrophobicContact CE2-CG2 4.17Å; F311-V331 HydrophobicContact CZ-CG2 4.28Å
312	A	71.2	Confident	68.5	Low	57 Å²	57	66.3 Å²	66.3	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-43	175.8	0	0	0	0	0	112.6	S308 T309 L310 S316	S308-A312 VanDerWaalsContact O-CB 3.24Å; S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 3.03Å; T309-A312 PolarHBondContact O-N 2.86Å; L310-A312 VanDerWaalsContact C-N 3.26Å; L310-A312 PolarHBondContact O-N 3.01Å; A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 2.74Å
313	K	73.1	Confident	69.6	Low	98 Å²	98	70.2 Å²	70.2	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-48.6	178.4	-76	-178.7	174.7	179.2	0	112.5	N272 T309 L310 R315 S316 A317	N272-K313 PolarHBondContact OD1-NZ 2.89Å; T309-K313 WeakPolarHBondContact O-CG 3.3Å; T309-K313 PolarHBondContact O-N 3.42Å; L310-K313 PolarHBondContact O-N 3.27Å; L310-K313 VanDerWaalsContact O-N 3.15Å; K313-R315 VanDerWaalsContact C-N 3.28Å; K313-R315 PolarHBondContact O-N 2.72Å; K313-S316 WeakPolarHBondContact O-CB 3.26Å; K313-S316 PolarHBondContact O-N 3.46Å; K313-S316 VanDerWaalsContact O-N 3.15Å; K313-A317 PolarHBondContact O-N 3.35Å
314	L	77.5	Confident	71	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-39.2	176.2	-69.4	176.2	0	0	0	111.2	L278 L295 L310 A317 A318 L327	L278-L314 HydrophobicContact CB-CD2 4.12Å; L295-L314 HydrophobicContact CD1-CD1 3.63Å; L295-L314 HydrophobicContact CD2-CD1 4Å; L295-L314 HydrophobicContact CG-CD1 4.47Å; L310-L314 HydrophobicContact CD1-CD1 3.82Å; L310-L314 HydrophobicContact CD1-CG 4.05Å; L310-L314 HydrophobicContact CD2-CD1 4.39Å; L310-L314 HydrophobicContact CG-CD1 3.86Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 PolarHBondContact O-N 3.35Å; L314-A317 PolarHBondContact O-N 3.44Å; L314-A318 VanDerWaalsContact O-CB 3.31Å; L314-A318 WeakPolarHBondContact O-CB 3.29Å; L314-A318 PolarHBondContact O-N 3.2Å; L314-L327 HydrophobicContact CB-CD2 3.89Å
315	R	77.1	Confident	72.5	Confident	104 Å²	104	62.9 Å²	62.9	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-43.2	173.7	-174.1	177	-68.4	167.8	-2.9	111.2	F311 K313 A318 Y319 L327	F311-R315 WeakPolarHBondContact O-CA 3.48Å; F311-R315 WeakPolarHBondContact O-CB 3Å; F311-R315 PolarHBondContact O-N 3.42Å; K313-R315 VanDerWaalsContact C-N 3.28Å; K313-R315 PolarHBondContact O-N 2.72Å; R315-A318 PolarHBondContact O-N 2.96Å; R315-Y319 HydrophobicContact CG-CD2 3.6Å; R315-Y319 HydrophobicContact CG-CE2 3.45Å; R315-Y319 VanDerWaalsContact CG-CE2 3.45Å; R315-Y319 HydrophobicContact CG-CG 4.35Å; R315-Y319 VanDerWaalsContact O-CB 3.27Å; R315-Y319 WeakPolarHBondContact O-CB 3.31Å; R315-Y319 WeakPolarHBondContact O-CD2 3.49Å; R315-Y319 PolarHBondContact O-N 3.41Å; R315-L327 HydrophobicContact CB-CD2 4.24Å
316	S	78.1	Confident	73.9	Confident	78 Å²	78	61.6 Å²	61.6	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-58.9	-48.5	175.2	-173.4	0	0	0	0	111.6	A312 K313 A318 Y319 E320	A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 2.74Å; K313-S316 WeakPolarHBondContact O-CB 3.26Å; K313-S316 PolarHBondContact O-N 3.46Å; K313-S316 VanDerWaalsContact O-N 3.15Å; S316-A318 VanDerWaalsContact C-N 3.34Å; S316-A318 PolarHBondContact O-N 3.31Å; S316-Y319 PolarHBondContact O-N 2.98Å; S316-E320 WeakPolarHBondContact O-CB 3.33Å; S316-E320 PolarHBondContact O-N 3.11Å
317	A	77.9	Confident	75.1	Confident	22 Å²	22	57.2 Å²	57.2	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-40.1	178.6	0	0	0	0	0	112.2	A279 K313 L314	A279-A317 HydrophobicContact CB-CB 3.88Å; K313-A317 PolarHBondContact O-N 3.35Å; L314-A317 PolarHBondContact O-N 3.44Å
318	A	78.1	Confident	76	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-45.6	174.7	0	0	0	0	0	112.4	L282 L314 R315 S316 E320 K321 K322 I325	L282-A318 HydrophobicContact CD1-CB 4.03Å; L282-A318 HydrophobicContact CD2-CB 3.92Å; L314-A318 VanDerWaalsContact O-CB 3.31Å; L314-A318 WeakPolarHBondContact O-CB 3.29Å; L314-A318 PolarHBondContact O-N 3.2Å; R315-A318 PolarHBondContact O-N 2.96Å; S316-A318 VanDerWaalsContact C-N 3.34Å; S316-A318 PolarHBondContact O-N 3.31Å; A318-E320 VanDerWaalsContact C-N 3.32Å; A318-E320 PolarHBondContact O-N 2.86Å; A318-K321 PolarHBondContact O-N 2.9Å; A318-K321 VanDerWaalsContact O-N 3.11Å; A318-K322 PolarHBondContact O-N 2.78Å; A318-I325 HydrophobicContact CB-CB 4.14Å; A318-I325 HydrophobicContact CB-CG2 3.76Å
319	Y	77.5	Confident	76.6	Confident	91 Å²	91	52.5 Å²	52.5	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-34.8	-177.1	-86.9	-130.3	0	0	0	111.9	R315 S316 K321	R315-Y319 HydrophobicContact CG-CD2 3.6Å; R315-Y319 HydrophobicContact CG-CE2 3.45Å; R315-Y319 VanDerWaalsContact CG-CE2 3.45Å; R315-Y319 HydrophobicContact CG-CG 4.35Å; R315-Y319 VanDerWaalsContact O-CB 3.27Å; R315-Y319 WeakPolarHBondContact O-CB 3.31Å; R315-Y319 WeakPolarHBondContact O-CD2 3.49Å; R315-Y319 PolarHBondContact O-N 3.41Å; S316-Y319 PolarHBondContact O-N 2.98Å; Y319-K321 PolarHBondContact O-N 3.36Å
320	E	78.2	Confident	76.6	Confident	167 Å²	167	50.9 Å²	50.9	78%	0.78	26%	0.255	S	S	*	.	H	α-helix	trans	-59.3	-31.2	173.7	-171.9	176.3	-179.2	0	0	112.2	S316 A318	S316-E320 WeakPolarHBondContact O-CB 3.33Å; S316-E320 PolarHBondContact O-N 3.11Å; A318-E320 VanDerWaalsContact C-N 3.32Å; A318-E320 PolarHBondContact O-N 2.86Å
321	K	79.2	Confident	76.3	Confident	98 Å²	98	50.8 Å²	50.8	43%	0.426	26%	0.255	S	S	.	.	H	α-helix	trans	-84.5	-49.1	177.1	-70	-66.3	-173.2	149.1	0	113.2	S283 A286 D287 A318 Y319 I325	S283-K321 WeakPolarHBondContact OG-CE 3.49Å; S283-K321 PolarHBondContact OG-NZ 3.17Å; A286-K321 HydrophobicContact CB-CB 4.28Å; D287-K321 IonicContact OD1-NZ 2.74Å; D287-K321 PolarHBondContact OD1-NZ 3.44Å; D287-K321 IonicContact OD2-NZ 3.49Å; D287-K321 PolarHBondContact OD2-NZ 3.18Å; A318-K321 PolarHBondContact O-N 2.9Å; A318-K321 VanDerWaalsContact O-N 3.11Å; Y319-K321 PolarHBondContact O-N 3.36Å; K321-I325 HydrophobicContact CB-CD1 4.36Å
322	K	79.7	Confident	75.7	Confident	76 Å²	76	51.5 Å²	51.5	33%	0.33	26%	0.258	S	S	.	.			trans	-158.6	110.9	-177.9	175.7	-176.5	-168.3	-176.6	0	108.5	D291 A318 S324 I325	D291-K322 IonicContact OD1-NZ 3.46Å; D291-K322 PolarHBondContact OD1-NZ 3.24Å; A318-K322 PolarHBondContact O-N 2.78Å; K322-S324 VanDerWaalsContact CE-OG 3.22Å; K322-S324 WeakPolarHBondContact CE-OG 3.38Å; K322-S324 WeakPolarHBondContact CG-OG 3.41Å; K322-S324 PolarHBondContact O-N 3.13Å; K322-I325 HydrophobicContact CB-CD1 3.76Å; K322-I325 HydrophobicContact CB-CG1 3.77Å; K322-I325 HydrophobicContact CD-CG1 4.08Å; K322-I325 HydrophobicContact CG-CG1 4.09Å; K322-I325 WeakPolarHBondContact O-CB 3.33Å; K322-I325 WeakPolarHBondContact O-CG1 3.44Å; K322-I325 PolarHBondContact O-N 2.98Å
323	E	75.7	Confident	75.2	Confident	154 Å²	154	50 Å²	50	72%	0.72	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.3	-178.8	-65.5	-175.8	165.3	0	0	113.5	I325	E323-I325 VanDerWaalsContact C-N 3.29Å; E323-I325 PolarHBondContact O-N 3.39Å
324	S	80.2	Confident	74.6	Confident	33 Å²	33	47.9 Å²	47.9	23%	0.231	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.4	178.3	76.2	0	0	0	0	114.2	W113 K322 G326	W113-S324 PolarHBondContact NE1-O 2.92Å; K322-S324 VanDerWaalsContact CE-OG 3.22Å; K322-S324 WeakPolarHBondContact CE-OG 3.38Å; K322-S324 WeakPolarHBondContact CG-OG 3.41Å; K322-S324 PolarHBondContact O-N 3.13Å; S324-G326 PolarHBondContact O-N 3.02Å
325	I	82.8	Confident	73.7	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.255	C	S	.	.			trans	-67.7	122.6	-179.9	-73.9	172.7	0	0	0	110.2	A286 D291 F293 A318 K321 K322 E323	A286-I325 HydrophobicContact CB-CD1 3.87Å; D291-I325 VanDerWaalsContact O-CA 3.22Å; D291-I325 WeakPolarHBondContact O-CA 3.27Å; F293-I325 HydrophobicContact CD2-CG2 3.92Å; F293-I325 HydrophobicContact CE2-CG2 4.18Å; A318-I325 HydrophobicContact CB-CB 4.14Å; A318-I325 HydrophobicContact CB-CG2 3.76Å; K321-I325 HydrophobicContact CB-CD1 4.36Å; K322-I325 HydrophobicContact CB-CD1 3.76Å; K322-I325 HydrophobicContact CB-CG1 3.77Å; K322-I325 HydrophobicContact CD-CG1 4.08Å; K322-I325 HydrophobicContact CG-CG1 4.09Å; K322-I325 WeakPolarHBondContact O-CB 3.33Å; K322-I325 WeakPolarHBondContact O-CG1 3.44Å; K322-I325 PolarHBondContact O-N 2.98Å; E323-I325 VanDerWaalsContact C-N 3.29Å; E323-I325 PolarHBondContact O-N 3.39Å
326	G	82.8	Confident	73.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.3	173.5	0	0	0	0	0	110.6	D291 G292 F293 S324	D291-G326 PolarHBondContact O-N 2.99Å; G292-G326 CarbonylContact C-O 3.33Å; G292-G326 WeakPolarHBondContact CA-O 3.47Å; F293-G326 PolarHBondContact N-O 3.31Å; S324-G326 PolarHBondContact O-N 3.02Å
327	L	80.8	Confident	72.4	Confident	16 Å²	16	46.3 Å²	46.3	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.6	171.8	-174.5	66.1	0	0	0	108.8	F293 L295 F311 L314 R315	F293-L327 HydrophobicContact CB-CD1 4.02Å; F293-L327 WeakPolarHBondContact O-CA 3.21Å; L295-L327 HydrophobicContact CD2-CD1 4.13Å; L295-L327 HydrophobicContact CG-CD1 4.2Å; F311-L327 HydrophobicContact CD1-CD2 3.94Å; F311-L327 HydrophobicContact CD1-CG 4.4Å; L314-L327 HydrophobicContact CB-CD2 3.89Å; R315-L327 HydrophobicContact CB-CD2 4.24Å
328	F	78.4	Confident	71.6	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.3	-174.5	-48.2	-78.8	0	0	0	110.9	W113 W114 V203 F293 F294 L295 L357	W113-F328 HydrophobicContact CH2-CE2 4.11Å; W113-F328 HydrophobicContact CH2-CZ 4.06Å; W114-F328 HydrophobicContact CB-CE1 3.9Å; W114-F328 HydrophobicContact CB-CZ 3.47Å; W114-F328 VanDerWaalsContact CB-CZ 3.47Å; W114-F328 HydrophobicContact CE3-CE1 4.41Å; W114-F328 HydrophobicContact CG-CZ 4.43Å; V203-F328 HydrophobicContact CG1-CD2 4.06Å; V203-F328 HydrophobicContact CG1-CE2 4.16Å; V203-F328 HydrophobicContact CG2-CE2 3.84Å; F293-F328 WeakPolarHBondContact O-CD2 3.29Å; F293-F328 PolarHBondContact O-N 3.1Å; F294-F328 CarbonylContact C-O 3.59Å; F294-F328 WeakPolarHBondContact CA-O 3.48Å; F294-F328 HydrophobicContact CB-CB 4.35Å; F294-F328 HydrophobicContact CD2-CB 3.49Å; F294-F328 VanDerWaalsContact CD2-CB 3.49Å; F294-F328 HydrophobicContact CD2-CG 4.45Å; F294-F328 HydrophobicContact CE2-CB 4.14Å; F294-F328 HydrophobicContact CG-CB 4.17Å; L295-F328 PolarHBondContact N-O 3.21Å; F328-L357 HydrophobicContact CB-CD1 3.99Å; F328-L357 HydrophobicContact CD1-CB 3.65Å; F328-L357 HydrophobicContact CD1-CD1 3.46Å; F328-L357 VanDerWaalsContact CD1-CD1 3.46Å; F328-L357 HydrophobicContact CD1-CG 4.23Å; F328-L357 HydrophobicContact CD2-CD1 4.31Å; F328-L357 HydrophobicContact CE1-CB 4.2Å; F328-L357 HydrophobicContact CE1-CD1 3.87Å; F328-L357 HydrophobicContact CG-CB 4.46Å; F328-L357 HydrophobicContact CG-CD1 3.67Å; F328-L357 HydrophobicContact CZ-CD1 4.43Å
329	S	74.8	Confident	70.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.8	173.4	69.2	0	0	0	0	110.6	F311 V331 H332	F311-S329 WeakPolarHBondContact CZ-OG 3.27Å; S329-V331 PolarHBondContact O-N 3.21Å; S329-V331 WeakPolarHBondContact OG-CB 3.39Å; S329-V331 PolarHBondContact OG-N 3Å; S329-H332 PolarHBondContact O-N 3.27Å; S329-H332 PolarHBondContact OG-CD2 2.84Å; S329-H332 VanDerWaalsContact OG-CD2 3.29Å
330	T	66.6	Low	70.4	Confident	37 Å²	37	48.7 Å²	48.7	23%	0.227	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-21.2	171.4	54.5	0	0	0	0	113.1	F294 S299 Q302 H332 D333 T334	F294-T330 HydrophobicContact CE1-CG2 3.9Å; F294-T330 HydrophobicContact CZ-CG2 3.83Å; S299-T330 PolarHBondContact N-OG1 2.83Å; Q302-T330 PolarHBondContact NE2-O 2.7Å; T330-H332 VanDerWaalsContact C-N 3.28Å; T330-H332 PolarHBondContact O-N 2.84Å; T330-D333 WeakPolarHBondContact O-CB 3.44Å; T330-D333 PolarHBondContact O-N 3.33Å; T330-D333 VanDerWaalsContact O-N 3.1Å; T330-T334 PolarHBondContact O-N 2.95Å; T330-T334 VanDerWaalsContact O-N 3.13Å; T330-T334 PolarHBondContact O-OG1 2.92Å
331	V	60.6	Low	69.7	Low	11 Å²	11	47.8 Å²	47.8	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-42.3	173.9	-171.6	0	0	0	0	111.3	A298 Q302 F311 S329 D333 T334 E335	A298-V331 HydrophobicContact CB-CG2 4.2Å; Q302-V331 HydrophobicContact CG-CB 4.3Å; Q302-V331 HydrophobicContact CG-CG1 4.17Å; Q302-V331 HydrophobicContact CG-CG2 3.75Å; Q302-V331 VanDerWaalsContact NE2-CA 3.27Å; F311-V331 HydrophobicContact CE2-CB 4.44Å; F311-V331 HydrophobicContact CE2-CG2 4.17Å; F311-V331 HydrophobicContact CZ-CG2 4.28Å; S329-V331 PolarHBondContact O-N 3.21Å; S329-V331 WeakPolarHBondContact OG-CB 3.39Å; S329-V331 PolarHBondContact OG-N 3Å; V331-D333 PolarHBondContact O-N 2.71Å; V331-T334 PolarHBondContact O-N 2.92Å; V331-E335 WeakPolarHBondContact O-CG 3.09Å; V331-E335 PolarHBondContact O-N 3.27Å
332	H	59.9	Low	69	Low	29 Å²	29	49.5 Å²	49.5	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-27.2	177.5	-60.4	-45.7	0	0	0	113.1	S329 T330 R336 R356	S329-H332 PolarHBondContact O-N 3.27Å; S329-H332 PolarHBondContact OG-CD2 2.84Å; S329-H332 VanDerWaalsContact OG-CD2 3.29Å; T330-H332 VanDerWaalsContact C-N 3.28Å; T330-H332 PolarHBondContact O-N 2.84Å; H332-R336 WeakPolarHBondContact O-CB 3.49Å; H332-R336 PolarHBondContact O-N 3.49Å; H332-R356 HydrophobicContact CB-CB 4.41Å; H332-R356 HydrophobicContact CB-CG 4.43Å
333	D	61.3	Low	68.2	Low	26 Å²	26	46.9 Å²	46.9	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-74.5	-46.6	177	-174.8	55.4	0	0	0	111.3	T330 V331 E335 R336 Q337 N359	T330-D333 WeakPolarHBondContact O-CB 3.44Å; T330-D333 PolarHBondContact O-N 3.33Å; T330-D333 VanDerWaalsContact O-N 3.1Å; V331-D333 PolarHBondContact O-N 2.71Å; D333-E335 PolarHBondContact O-N 3.39Å; D333-R336 CarbonylContact O-C 3.54Å; D333-R336 WeakPolarHBondContact O-CA 3.38Å; D333-R336 VanDerWaalsContact O-CB 3.32Å; D333-R336 WeakPolarHBondContact O-CB 3.37Å; D333-R336 PolarHBondContact O-N 2.98Å; D333-Q337 WeakPolarHBondContact O-CG 3.12Å; D333-Q337 PolarHBondContact O-N 3.13Å; D333-Q337 PolarHBondContact OD1-NE2 2.89Å; D333-N359 HydrophobicContact CB-CB 4.16Å; D333-N359 PolarHBondContact OD1-N 2.87Å
334	T	59.6	Low	67.5	Low	53 Å²	53	42.9 Å²	42.9	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-49.2	178.8	-53.7	0	0	0	0	111.5	Q302 T330 V331 R336 Q337 L338	Q302-T334 PolarHBondContact NE2-OG1 2.89Å; Q302-T334 PolarHBondContact OE1-OG1 3.2Å; T330-T334 PolarHBondContact O-N 2.95Å; T330-T334 VanDerWaalsContact O-N 3.13Å; T330-T334 PolarHBondContact O-OG1 2.92Å; V331-T334 PolarHBondContact O-N 2.92Å; T334-R336 PolarHBondContact O-N 2.8Å; T334-Q337 PolarHBondContact O-N 3.4Å; T334-L338 HydrophobicContact CG2-CD1 3.74Å; T334-L338 WeakPolarHBondContact O-CD1 3.34Å; T334-L338 PolarHBondContact O-N 2.67Å
335	E	59.5	Low	66.6	Low	82 Å²	82	47.1 Å²	47.1	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-56.9	-37.1	174.8	-67.3	177.4	169	0	0	112.1	V331 D333 L338 E339 R356	V331-E335 WeakPolarHBondContact O-CG 3.09Å; V331-E335 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact O-N 3.39Å; E335-L338 PolarHBondContact O-N 2.69Å; E335-E339 WeakPolarHBondContact O-CG 3.23Å; E335-E339 PolarHBondContact O-N 2.74Å; E335-R356 IonicContact OE2-CZ 3.25Å; E335-R356 IonicContact OE2-NE 2.69Å; E335-R356 IonicContact OE2-NH1 2.63Å; E335-R356 IonicContact OE2-NH2 3.3Å
336	R	63.2	Low	65.2	Low	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-42.4	178.5	179.3	54.3	162.2	-120.1	-10.7	112.7	H332 D333 T334 L338 E339 L340 S353 T358 P389	H332-R336 WeakPolarHBondContact O-CB 3.49Å; H332-R336 PolarHBondContact O-N 3.49Å; D333-R336 CarbonylContact O-C 3.54Å; D333-R336 WeakPolarHBondContact O-CA 3.38Å; D333-R336 VanDerWaalsContact O-CB 3.32Å; D333-R336 WeakPolarHBondContact O-CB 3.37Å; D333-R336 PolarHBondContact O-N 2.98Å; T334-R336 PolarHBondContact O-N 2.8Å; R336-L338 VanDerWaalsContact C-N 3.27Å; R336-L338 PolarHBondContact O-N 2.8Å; R336-E339 PolarHBondContact O-N 2.86Å; R336-L340 HydrophobicContact CG-CD1 4.24Å; R336-L340 WeakPolarHBondContact O-CG 3.35Å; R336-L340 PolarHBondContact O-N 3.33Å; R336-S353 PolarHBondContact NH1-O 2.71Å; R336-T358 HydrophobicContact CG-CG2 4.18Å; R336-P389 PolarHBondContact NH2-O 3.23Å
337	Q	63.6	Low	63.4	Low	70 Å²	70	58.9 Å²	58.9	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.3	-63.7	-64.9	-20.1	0	0	110.4	D333 T334 L340 R341	D333-Q337 WeakPolarHBondContact O-CG 3.12Å; D333-Q337 PolarHBondContact O-N 3.13Å; D333-Q337 PolarHBondContact OD1-NE2 2.89Å; T334-Q337 PolarHBondContact O-N 3.4Å; Q337-L340 PolarHBondContact O-N 3.37Å; Q337-R341 VanDerWaalsContact O-CB 3.3Å; Q337-R341 WeakPolarHBondContact O-CB 3.17Å; Q337-R341 PolarHBondContact O-N 2.96Å
338	L	62.1	Low	61.8	Low	95 Å²	95	59.2 Å²	59.2	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-49.2	171.8	-86.3	88.3	0	0	0	111.7	T334 E335 R336 L340 R341 E342	T334-L338 HydrophobicContact CG2-CD1 3.74Å; T334-L338 WeakPolarHBondContact O-CD1 3.34Å; T334-L338 PolarHBondContact O-N 2.67Å; E335-L338 PolarHBondContact O-N 2.69Å; R336-L338 VanDerWaalsContact C-N 3.27Å; R336-L338 PolarHBondContact O-N 2.8Å; L338-L340 VanDerWaalsContact C-N 3.32Å; L338-L340 PolarHBondContact O-N 2.94Å; L338-R341 PolarHBondContact O-N 3.03Å; L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 WeakPolarHBondContact O-CG 3.48Å; L338-E342 PolarHBondContact O-N 3.42Å
339	E	63.1	Low	60.2	Low	49 Å²	49	64.4 Å²	64.4	23%	0.229	33%	0.328	C	S	.	.	H	α-helix	trans	-56.5	-44.7	176.7	-79.6	-178.9	172.7	0	0	112.4	E335 R336 E342 Q343 R356	E335-E339 WeakPolarHBondContact O-CG 3.23Å; E335-E339 PolarHBondContact O-N 2.74Å; R336-E339 PolarHBondContact O-N 2.86Å; E339-E342 PolarHBondContact O-N 3.34Å; E339-Q343 WeakPolarHBondContact O-CB 2.97Å; E339-Q343 VanDerWaalsContact O-CG 3.26Å; E339-Q343 WeakPolarHBondContact O-CG 3.09Å; E339-Q343 PolarHBondContact O-N 2.5Å; E339-R356 IonicContact OE1-CZ 3.14Å; E339-R356 VanDerWaalsContact OE1-CZ 3.25Å; E339-R356 IonicContact OE1-NH1 3.21Å; E339-R356 PolarHBondContact OE1-NH1 2.98Å; E339-R356 IonicContact OE1-NH2 3.54Å; E339-R356 PolarHBondContact OE1-NH2 2.89Å; E339-R356 IonicContact OE2-NH1 3.86Å; E339-R356 PolarHBondContact OE2-NH1 3.39Å
340	L	65.9	Low	59	Low	21 Å²	21	71.4 Å²	71.4	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-66	-40.1	178.8	-70.1	171.3	0	0	0	111.6	R336 Q337 L338 Q343 L344 L388	R336-L340 HydrophobicContact CG-CD1 4.24Å; R336-L340 WeakPolarHBondContact O-CG 3.35Å; R336-L340 PolarHBondContact O-N 3.33Å; Q337-L340 PolarHBondContact O-N 3.37Å; L338-L340 VanDerWaalsContact C-N 3.32Å; L338-L340 PolarHBondContact O-N 2.94Å; L340-Q343 PolarHBondContact O-N 3.05Å; L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.45Å; L340-L388 HydrophobicContact CD1-CD1 3.66Å; L340-L388 HydrophobicContact CD2-CD1 4.2Å; L340-L388 HydrophobicContact CD2-CD2 3.57Å
341	R	64.7	Low	58.3	Low	147 Å²	147	74.6 Å²	74.6	56%	0.555	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-46.1	176.2	-174.7	179.7	-173.9	-172.2	5.4	111.4	Q337 L338 Q343 L344 I345	Q337-R341 VanDerWaalsContact O-CB 3.3Å; Q337-R341 WeakPolarHBondContact O-CB 3.17Å; Q337-R341 PolarHBondContact O-N 2.96Å; L338-R341 PolarHBondContact O-N 3.03Å; R341-Q343 VanDerWaalsContact C-N 3.28Å; R341-Q343 PolarHBondContact O-N 3.18Å; R341-L344 PolarHBondContact O-N 2.95Å; R341-I345 HydrophobicContact CG-CD1 3.66Å; R341-I345 WeakPolarHBondContact O-CB 3.3Å; R341-I345 VanDerWaalsContact O-CG1 3.25Å; R341-I345 WeakPolarHBondContact O-CG1 3.42Å; R341-I345 PolarHBondContact O-N 3.49Å
342	E	63.7	Low	58	Low	135 Å²	135	74.8 Å²	74.8	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-60.8	-39.5	176.4	-74	-179.7	175.8	0	0	111.5	L338 E339 I345 G346	L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 WeakPolarHBondContact O-CG 3.48Å; L338-E342 PolarHBondContact O-N 3.42Å; E339-E342 PolarHBondContact O-N 3.34Å; E342-I345 PolarHBondContact O-N 3.22Å; E342-G346 WeakPolarHBondContact O-CA 3.27Å; E342-G346 PolarHBondContact O-N 3.44Å
343	Q	62.3	Low	58	Low	20 Å²	20	74.9 Å²	74.9	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-67.4	-43.5	175.3	-77.9	-175.2	-0.5	0	0	113.1	E339 L340 R341 I345 H350 F474	E339-Q343 WeakPolarHBondContact O-CB 2.97Å; E339-Q343 VanDerWaalsContact O-CG 3.26Å; E339-Q343 WeakPolarHBondContact O-CG 3.09Å; E339-Q343 PolarHBondContact O-N 2.5Å; L340-Q343 PolarHBondContact O-N 3.05Å; R341-Q343 VanDerWaalsContact C-N 3.28Å; R341-Q343 PolarHBondContact O-N 3.18Å; Q343-I345 PolarHBondContact O-N 3.23Å; Q343-H350 PolarHBondContact NE2-O 2.03Å; Q343-F474 HydrophobicContact CB-CE1 3.66Å; Q343-F474 HydrophobicContact CB-CZ 3.69Å; Q343-F474 HydrophobicContact CG-CE1 3.95Å; Q343-F474 HydrophobicContact CG-CZ 4.19Å; Q343-F474 WeakPolarHBondContact O-CE2 3.4Å; Q343-F474 WeakPolarHBondContact O-CZ 3.22Å
344	L	62	Low	57.7	Low	71 Å²	71	75.2 Å²	75.2	37%	0.372	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-26.8	178.9	-73	169	0	0	0	112.6	L340 R341 V482 L508	L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.45Å; R341-L344 PolarHBondContact O-N 2.95Å; L344-V482 HydrophobicContact CD2-CG1 4.45Å; L344-L508 HydrophobicContact CD1-CD1 4.08Å
345	I	60.7	Low	57.8	Low	121 Å²	121	78.7 Å²	78.7	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-96.6	-29.6	-177.4	-62.2	173.3	0	0	0	112.6	R341 E342 Q343	R341-I345 HydrophobicContact CG-CD1 3.66Å; R341-I345 WeakPolarHBondContact O-CB 3.3Å; R341-I345 VanDerWaalsContact O-CG1 3.25Å; R341-I345 WeakPolarHBondContact O-CG1 3.42Å; R341-I345 PolarHBondContact O-N 3.49Å; E342-I345 PolarHBondContact O-N 3.22Å; Q343-I345 PolarHBondContact O-N 3.23Å
346	G	54.3	Low	58	Low	33 Å²	33	77.4 Å²	77.4	34%	0.34	39%	0.394	S	S	.	.	S	Bend	trans	-115.9	137.3	-169	0	0	0	0	0	114.6	E342 G348	E342-G346 WeakPolarHBondContact O-CA 3.27Å; E342-G346 PolarHBondContact O-N 3.44Å; G346-G348 PolarHBondContact O-N 3.19Å
347	E	44.7	Very low	58.4	Low	217 Å²	217	77.5 Å²	77.5	100%	1.014	39%	0.394	S	S	*	.	S	Bend	trans	-67.1	58.2	173.8	-63.8	-170.3	151.9	0	0	113.3
348	G	46.4	Very low	59	Low	23 Å²	23	74.2 Å²	74.2	24%	0.237	38%	0.379	C	S	.	.			trans	-134.4	102.9	-178.8	0	0	0	0	0	111.9	G346 H350	G346-G348 PolarHBondContact O-N 3.19Å; G348-H350 PolarHBondContact O-N 3.39Å
349	L	44.9	Very low	59.7	Low	112 Å²	112	70.2 Å²	70.2	59%	0.586	36%	0.358	S	S	*	.			trans	-70.3	64.4	173.2	-82	153.2	0	0	0	111.5
350	H	50.4	Low	60.5	Low	148 Å²	148	68 Å²	68	69%	0.685	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-87.3	134.4	171.5	-67.2	-65.2	0	0	0	110.4	Q343 G348 V352	Q343-H350 PolarHBondContact NE2-O 2.03Å; G348-H350 PolarHBondContact O-N 3.39Å; H350-V352 PolarHBondContact O-N 3.45Å
351	S	52.5	Low	61	Low	104 Å²	104	67 Å²	67	73%	0.727	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-65.3	120.3	177.6	54	0	0	0	0	110.1
352	V	54.5	Low	61.4	Low	14 Å²	14	62.3 Å²	62.3	9%	0.085	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.6	174.3	-179.2	0	0	0	0	110	H350 P389	H350-V352 PolarHBondContact O-N 3.45Å; V352-P389 HydrophobicContact CB-CG 3.54Å; V352-P389 HydrophobicContact CG1-CG 3.5Å
353	S	59.1	Low	61.7	Low	32 Å²	32	57.1 Å²	57.1	22%	0.224	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.2	140.4	-177.7	178.6	0	0	0	0	112.6	R336 E355	R336-S353 PolarHBondContact NH1-O 2.71Å; S353-E355 VanDerWaalsContact C-N 3.3Å; S353-E355 PolarHBondContact OG-N 2.83Å; S353-E355 VanDerWaalsContact OG-N 3.12Å
354	F	55.7	Low	62	Low	32 Å²	32	61.3 Å²	61.3	14%	0.14	33%	0.33	C	S	.	.	S	Bend	trans	-81.9	-8.3	172.4	-77.2	-85.6	0	0	0	113.4	R356 P389 G390 G470	F354-R356 VanDerWaalsContact C-N 3.3Å; F354-R356 PolarHBondContact O-N 3.49Å; F354-P389 HydrophobicContact CD1-CB 3.56Å; F354-P389 HydrophobicContact CD2-CB 4.23Å; F354-P389 HydrophobicContact CE1-CB 3.03Å; F354-P389 HydrophobicContact CE1-CG 4.46Å; F354-P389 HydrophobicContact CE2-CB 3.83Å; F354-P389 HydrophobicContact CG-CB 4.11Å; F354-P389 HydrophobicContact CZ-CB 3.21Å; F354-P389 HydrophobicContact CZ-CG 4.38Å; F354-G390 VanDerWaalsContact CD1-N 3.29Å; F354-G390 WeakPolarHBondContact O-CA 3.15Å; F354-G470 WeakPolarHBondContact CZ-O 3.37Å
355	E	60.1	Low	62.4	Low	126 Å²	126	59.2 Å²	59.2	59%	0.589	32%	0.321	S	S	*	.	S	Bend	trans	-84.1	-6.3	-171.7	-61.9	-175.9	167.6	0	0	113.7	W114 S353	W114-E355 HydrophobicContact CH2-CB 4.47Å; W114-E355 HydrophobicContact CH2-CG 4.49Å; W114-E355 HydrophobicContact CZ3-CB 4.32Å; S353-E355 VanDerWaalsContact C-N 3.3Å; S353-E355 PolarHBondContact OG-N 2.83Å; S353-E355 VanDerWaalsContact OG-N 3.12Å
356	R	65.3	Low	63.2	Low	56 Å²	56	53.8 Å²	53.8	21%	0.211	30%	0.295	C	S	.	.			trans	-108.2	137.2	-172.7	-59.6	-170.6	-171	154.5	9.4	111.7	H332 E335 E339 F354	H332-R356 HydrophobicContact CB-CB 4.41Å; H332-R356 HydrophobicContact CB-CG 4.43Å; E335-R356 IonicContact OE2-CZ 3.25Å; E335-R356 IonicContact OE2-NE 2.69Å; E335-R356 IonicContact OE2-NH1 2.63Å; E335-R356 IonicContact OE2-NH2 3.3Å; E339-R356 IonicContact OE1-CZ 3.14Å; E339-R356 VanDerWaalsContact OE1-CZ 3.25Å; E339-R356 IonicContact OE1-NH1 3.21Å; E339-R356 PolarHBondContact OE1-NH1 2.98Å; E339-R356 IonicContact OE1-NH2 3.54Å; E339-R356 PolarHBondContact OE1-NH2 2.89Å; E339-R356 IonicContact OE2-NH1 3.86Å; E339-R356 PolarHBondContact OE2-NH1 3.39Å; F354-R356 VanDerWaalsContact C-N 3.3Å; F354-R356 PolarHBondContact O-N 3.49Å
357	L	71.3	Confident	64.7	Low	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.9	168.7	174.2	153.2	0	0	0	108	F294 F328 S391 D393	F294-L357 HydrophobicContact CD2-CD1 4.36Å; F294-L357 HydrophobicContact CE2-CD1 4.41Å; F294-L357 HydrophobicContact CE2-CD2 3.87Å; F328-L357 HydrophobicContact CB-CD1 3.99Å; F328-L357 HydrophobicContact CD1-CB 3.65Å; F328-L357 HydrophobicContact CD1-CD1 3.46Å; F328-L357 VanDerWaalsContact CD1-CD1 3.46Å; F328-L357 HydrophobicContact CD1-CG 4.23Å; F328-L357 HydrophobicContact CD2-CD1 4.31Å; F328-L357 HydrophobicContact CE1-CB 4.2Å; F328-L357 HydrophobicContact CE1-CD1 3.87Å; F328-L357 HydrophobicContact CG-CB 4.46Å; F328-L357 HydrophobicContact CG-CD1 3.67Å; F328-L357 HydrophobicContact CZ-CD1 4.43Å; L357-S391 CarbonylContact C-O 3.54Å; L357-S391 WeakPolarHBondContact CA-O 3.3Å; L357-D393 HydrophobicContact CD1-CB 3.87Å; L357-D393 HydrophobicContact CD2-CB 3.44Å; L357-D393 VanDerWaalsContact CD2-CB 3.44Å; L357-D393 HydrophobicContact CG-CB 3.74Å
358	T	75.2	Confident	66.6	Low	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120	174	-48	0	0	0	0	108.2	R336 F385 L388 S391 L392 D393	R336-T358 HydrophobicContact CG-CG2 4.18Å; T358-F385 HydrophobicContact CG2-CD1 4.31Å; T358-F385 HydrophobicContact CG2-CE1 4.42Å; T358-L388 HydrophobicContact CG2-CD1 4.02Å; T358-S391 PolarHBondContact N-O 2.62Å; T358-L392 HydrophobicContact CG2-CD2 4.47Å; T358-L392 CarbonylContact O-C 3.6Å; T358-L392 WeakPolarHBondContact O-CA 3.49Å; T358-D393 PolarHBondContact O-N 3.43Å
359	N	77.9	Confident	68.6	Low	12 Å²	12	41 Å²	41	6%	0.064	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.2	176.4	-166.8	-75.3	0	0	0	108.8	D333 S361 D393	D333-N359 HydrophobicContact CB-CB 4.16Å; D333-N359 PolarHBondContact OD1-N 2.87Å; N359-S361 WeakPolarHBondContact OD1-CA 3.37Å; N359-S361 PolarHBondContact OD1-N 2.99Å; N359-S361 PolarHBondContact OD1-O 3.08Å; N359-D393 PolarHBondContact ND2-OD2 3Å
360	I	79.1	Confident	70.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-83.6	-43.3	176.8	-61.8	179.8	0	0	0	109.3	L368 R371 L382 F385 L392 D393 L394	I360-L368 HydrophobicContact CG2-CD2 4.14Å; I360-R371 PolarHBondContact O-NH2 3.25Å; I360-L382 HydrophobicContact CD1-CD1 4.06Å; I360-F385 HydrophobicContact CD1-CB 3.75Å; I360-F385 HydrophobicContact CD1-CD2 4.36Å; I360-F385 HydrophobicContact CD1-CG 4.18Å; I360-F385 HydrophobicContact CG1-CB 4.07Å; I360-F385 HydrophobicContact CG1-CD1 4.46Å; I360-F385 HydrophobicContact CG1-CD2 4.11Å; I360-F385 HydrophobicContact CG1-CG 3.99Å; I360-F385 HydrophobicContact CG2-CD2 4.01Å; I360-F385 HydrophobicContact CG2-CE2 4.21Å; I360-L392 HydrophobicContact CD1-CB 4.3Å; I360-L392 HydrophobicContact CD1-CD1 4.45Å; I360-D393 PolarHBondContact N-O 2.93Å; I360-L394 HydrophobicContact CD1-CB 4.42Å
361	S	76.1	Confident	72.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.			trans	-157.1	157.2	174.4	62.3	0	0	0	0	110.9	N359 M395 E398	N359-S361 WeakPolarHBondContact OD1-CA 3.37Å; N359-S361 PolarHBondContact OD1-N 2.99Å; N359-S361 PolarHBondContact OD1-O 3.08Å; S361-M395 WeakPolarHBondContact OG-CB 3.49Å; S361-E398 WeakPolarHBondContact CB-OE1 3.16Å; S361-E398 WeakPolarHBondContact OG-CG 3.02Å; S361-E398 PolarHBondContact OG-OE1 3.46Å
362	N	73.7	Confident	73.9	Confident	49 Å²	49	37 Å²	37	26%	0.262	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-136.2	178.3	174.5	61.4	66.8	0	0	0	109.8	N364 S365 M395	N362-N364 PolarHBondContact O-N 3.31Å; N362-N364 VanDerWaalsContact O-N 3.1Å; N362-N364 WeakPolarHBondContact OD1-CA 3.29Å; N362-N364 WeakPolarHBondContact OD1-CB 3.4Å; N362-N364 PolarHBondContact OD1-N 2.89Å; N362-S365 PolarHBondContact N-OG 3.45Å; N362-S365 PolarHBondContact ND2-OG 2.94Å; N362-S365 PolarHBondContact O-N 3.45Å; N362-S365 PolarHBondContact O-OG 3.2Å; N362-S365 PolarHBondContact OD1-N 2.96Å; N362-S365 PolarHBondContact OD1-OG 2.82Å; N362-M395 WeakPolarHBondContact O-CE 3.38Å
363	S	69.8	Low	75.4	Confident	26 Å²	26	39.6 Å²	39.6	18%	0.182	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.1	-178.2	49.2	0	0	0	0	115	M395 V407	S363-M395 VanDerWaalsContact CA-SD 3.56Å; S363-M395 PolarHBondContact N-SD 3.42Å; S363-M395 VanDerWaalsContact N-SD 3.44Å; S363-V407 WeakPolarHBondContact O-CG2 3.25Å
364	N	68.4	Low	76.6	Confident	107 Å²	107	42 Å²	42	57%	0.572	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-14.6	-175.2	-62.2	-38.1	0	0	0	113.5	N362	N362-N364 PolarHBondContact O-N 3.31Å; N362-N364 VanDerWaalsContact O-N 3.1Å; N362-N364 WeakPolarHBondContact OD1-CA 3.29Å; N362-N364 WeakPolarHBondContact OD1-CB 3.4Å; N362-N364 PolarHBondContact OD1-N 2.89Å
365	S	70	Confident	78.1	Confident	27 Å²	27	43.7 Å²	43.7	19%	0.189	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-103.3	110.1	173.9	65.2	0	0	0	0	107.5	N362	N362-S365 PolarHBondContact N-OG 3.45Å; N362-S365 PolarHBondContact ND2-OG 2.94Å; N362-S365 PolarHBondContact O-N 3.45Å; N362-S365 PolarHBondContact O-OG 3.2Å; N362-S365 PolarHBondContact OD1-N 2.96Å; N362-S365 PolarHBondContact OD1-OG 2.82Å
366	G	76.9	Confident	79.4	Confident	7 Å²	7	39.5 Å²	39.5	7%	0.072	21%	0.211	C	C	.	.			trans	-45.2	158.5	176.1	0	0	0	0	0	113.2	R371 V404 P405	G366-R371 WeakPolarHBondContact O-CG 3.28Å; G366-R371 PolarHBondContact O-NE 3.43Å; G366-V404 CarbonylContact C-O 3.38Å; G366-V404 WeakPolarHBondContact CA-O 3.44Å; G366-P405 VanDerWaalsContact CA-C 3.47Å; G366-P405 WeakPolarHBondContact CA-O 3.24Å; G366-P405 PolarHBondContact N-O 3.01Å
367	S	85.7	Confident	80.3	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.021	21%	0.206	C	C	.	.			trans	-54.3	155.3	-170.9	68.3	0	0	0	0	112	A369 Y370 R371 E398 V402 V404	S367-A369 PolarHBondContact O-N 3.09Å; S367-Y370 WeakPolarHBondContact O-CA 3.47Å; S367-Y370 WeakPolarHBondContact O-CB 3.46Å; S367-Y370 PolarHBondContact O-N 2.94Å; S367-Y370 WeakPolarHBondContact OG-CB 3.29Å; S367-Y370 PolarHBondContact OG-N 3.18Å; S367-R371 PolarHBondContact O-N 3.44Å; S367-E398 WeakPolarHBondContact CA-OE1 3.13Å; S367-V402 VanDerWaalsContact CB-O 3.29Å; S367-V402 WeakPolarHBondContact CB-O 3.42Å; S367-V402 PolarHBondContact OG-O 3.16Å; S367-V404 PolarHBondContact N-O 2.67Å; S367-V404 PolarHBondContact OG-N 3.47Å; S367-V404 PolarHBondContact OG-O 3.27Å
368	L	85.9	Confident	81.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-54.3	-40.9	178	-173.7	62.5	0	0	0	111	I360 Y370 R371 M372 A378 T381 L382 F385 E398	I360-L368 HydrophobicContact CG2-CD2 4.14Å; L368-Y370 VanDerWaalsContact C-N 3.35Å; L368-Y370 PolarHBondContact O-N 3Å; L368-R371 PolarHBondContact O-N 3.11Å; L368-M372 HydrophobicContact CD1-CG 4.05Å; L368-M372 HydrophobicContact CD1-SD 4.29Å; L368-M372 HydrophobicContact CG-CG 4.22Å; L368-M372 WeakPolarHBondContact O-CB 3.4Å; L368-M372 VanDerWaalsContact O-CG 3.24Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 2.89Å; L368-A378 WeakPolarHBondContact CD2-O 3.19Å; L368-A378 HydrophobicContact CG-CB 4.24Å; L368-T381 HydrophobicContact CD1-CG2 3.97Å; L368-T381 HydrophobicContact CD2-CG2 4.25Å; L368-L382 HydrophobicContact CD2-CB 4.01Å; L368-F385 HydrophobicContact CD1-CE2 4.08Å; L368-F385 HydrophobicContact CD2-CD2 4.3Å; L368-F385 HydrophobicContact CD2-CE2 4.35Å; L368-E398 WeakPolarHBondContact CB-OE2 3.37Å; L368-E398 PolarHBondContact N-OE1 3.06Å; L368-E398 PolarHBondContact N-OE2 3.24Å; L368-E398 VanDerWaalsContact N-OE2 3.17Å
369	A	87.5	Confident	81.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-36.5	176.5	0	0	0	0	0	113.8	S367 G373 A378 T403	S367-A369 PolarHBondContact O-N 3.09Å; A369-G373 PolarHBondContact O-N 3.3Å; A369-A378 VanDerWaalsContact CA-CB 3.47Å; A369-A378 HydrophobicContact CB-CB 3.83Å; A369-T403 HydrophobicContact CB-CG2 3.71Å
370	Y	88.2	Confident	82.1	Confident	126 Å²	126	39.9 Å²	39.9	49%	0.494	22%	0.216	S	C	.	.	H	α-helix	trans	-67.4	-47.3	172.8	176.9	-98.9	0	0	0	111.9	S367 L368 M372 G373 V404 P405	S367-Y370 WeakPolarHBondContact O-CA 3.47Å; S367-Y370 WeakPolarHBondContact O-CB 3.46Å; S367-Y370 PolarHBondContact O-N 2.94Å; S367-Y370 WeakPolarHBondContact OG-CB 3.29Å; S367-Y370 PolarHBondContact OG-N 3.18Å; L368-Y370 VanDerWaalsContact C-N 3.35Å; L368-Y370 PolarHBondContact O-N 3Å; Y370-M372 PolarHBondContact O-N 3.44Å; Y370-G373 PolarHBondContact O-N 2.84Å; Y370-V404 VanDerWaalsContact CB-O 3.24Å; Y370-V404 WeakPolarHBondContact CB-O 3.49Å; Y370-P405 HydrophobicContact CD1-CB 4.34Å; Y370-P405 HydrophobicContact CD2-CB 4.35Å; Y370-P405 HydrophobicContact CE1-CB 3.88Å; Y370-P405 HydrophobicContact CE2-CB 3.9Å
371	R	86.5	Confident	82.4	Confident	118 Å²	118	41.1 Å²	41.1	45%	0.445	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-36.4	-178.5	-68	-168.2	-63.3	139.8	-2.3	113	I360 G366 S367 L368 G373	I360-R371 PolarHBondContact O-NH2 3.25Å; G366-R371 WeakPolarHBondContact O-CG 3.28Å; G366-R371 PolarHBondContact O-NE 3.43Å; S367-R371 PolarHBondContact O-N 3.44Å; L368-R371 PolarHBondContact O-N 3.11Å; R371-G373 VanDerWaalsContact C-N 3.32Å
372	M	84.5	Confident	82.9	Confident	36 Å²	36	41.1 Å²	41.1	18%	0.177	22%	0.224	C	C	.	.	H	α-helix	trans	-78.4	-16.3	176.8	-61.6	-43.5	-67.9	0	0	113.1	L368 Y370 D374 L377 A378 T381	L368-M372 HydrophobicContact CD1-CG 4.05Å; L368-M372 HydrophobicContact CD1-SD 4.29Å; L368-M372 HydrophobicContact CG-CG 4.22Å; L368-M372 WeakPolarHBondContact O-CB 3.4Å; L368-M372 VanDerWaalsContact O-CG 3.24Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 2.89Å; Y370-M372 PolarHBondContact O-N 3.44Å; M372-D374 PolarHBondContact O-N 2.97Å; M372-L377 HydrophobicContact CB-CB 4.33Å; M372-L377 HydrophobicContact CB-CD2 4.19Å; M372-L377 HydrophobicContact CB-CG 4.07Å; M372-L377 HydrophobicContact CE-CD1 4.1Å; M372-L377 HydrophobicContact CE-CD2 3.54Å; M372-L377 HydrophobicContact CE-CG 3.53Å; M372-L377 HydrophobicContact CG-CG 4.35Å; M372-A378 HydrophobicContact CB-CB 4.36Å; M372-A378 HydrophobicContact CG-CB 4.31Å; M372-T381 HydrophobicContact SD-CG2 4.45Å
373	G	85.8	Confident	83.5	Confident	69 Å²	69	40.2 Å²	40.2	71%	0.711	22%	0.219	S	C	*	.	S	Bend	trans	68.2	-6.1	-176.9	0	0	0	0	0	115.5	A369 Y370 R371	A369-G373 PolarHBondContact O-N 3.3Å; Y370-G373 PolarHBondContact O-N 2.84Å; R371-G373 VanDerWaalsContact C-N 3.32Å
374	D	85.4	Confident	84.2	Confident	81 Å²	81	41 Å²	41	43%	0.433	22%	0.223	S	C	.	.			trans	-142.6	127.5	178.1	173.7	13.8	0	0	0	110	M372 A376 L377 A378	M372-D374 PolarHBondContact O-N 2.97Å; D374-A376 VanDerWaalsContact C-N 3.3Å; D374-A376 PolarHBondContact O-N 3.33Å; D374-A376 PolarHBondContact OD1-N 3.39Å; D374-L377 HydrophobicContact CB-CB 3.94Å; D374-L377 PolarHBondContact O-N 2.91Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.49Å
375	R	87	Confident	84.9	Confident	69 Å²	69	37.1 Å²	37.1	26%	0.26	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-36.3	178	-175.5	177	-69.9	138.3	6.1	112	L377 A378 E379 G401 E434 Y450	R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.98Å; R375-A378 WeakPolarHBondContact O-CB 3.36Å; R375-A378 PolarHBondContact O-N 3.37Å; R375-E379 PolarHBondContact O-N 2.88Å; R375-G401 PolarHBondContact NE-O 3.36Å; R375-G401 PolarHBondContact NH2-O 3.15Å; R375-E434 IonicContact NH2-OE1 3.81Å; R375-E434 PolarHBondContact NH2-OE1 3.29Å; R375-E434 IonicContact NH2-OE2 3.4Å; R375-E434 PolarHBondContact NH2-OE2 2.94Å; R375-Y450 HydrophobicContact CG-CD2 3.73Å; R375-Y450 HydrophobicContact CG-CE2 3.94Å
376	A	86.9	Confident	85.7	Confident	37 Å²	37	35.9 Å²	35.9	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-36.3	180	0	0	0	0	0	110.6	D374 A380 R502	D374-A376 VanDerWaalsContact C-N 3.3Å; D374-A376 PolarHBondContact O-N 3.33Å; D374-A376 PolarHBondContact OD1-N 3.39Å; A376-A380 PolarHBondContact O-N 3.48Å; A376-R502 VanDerWaalsContact CB-NH2 3.25Å; A376-R502 PolarHBondContact O-NH1 2.77Å; A376-R502 PolarHBondContact O-NH2 3.17Å
377	L	85.2	Confident	85.9	Confident	21 Å²	21	36 Å²	36	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-70.9	-36.8	172.7	-177.8	54.7	0	0	0	112.2	M372 D374 R375 A380 T381 C504	M372-L377 HydrophobicContact CB-CB 4.33Å; M372-L377 HydrophobicContact CB-CD2 4.19Å; M372-L377 HydrophobicContact CB-CG 4.07Å; M372-L377 HydrophobicContact CE-CD1 4.1Å; M372-L377 HydrophobicContact CE-CD2 3.54Å; M372-L377 HydrophobicContact CE-CG 3.53Å; M372-L377 HydrophobicContact CG-CG 4.35Å; D374-L377 HydrophobicContact CB-CB 3.94Å; D374-L377 PolarHBondContact O-N 2.91Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.98Å; L377-A380 WeakPolarHBondContact O-CB 3.46Å; L377-A380 PolarHBondContact O-N 2.86Å; L377-T381 WeakPolarHBondContact O-CB 3.46Å; L377-T381 PolarHBondContact O-N 3.32Å; L377-T381 PolarHBondContact O-OG1 2.94Å; L377-C504 HydrophobicContact CD1-CB 3.28Å
378	A	86.9	Confident	85.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-43	173.6	0	0	0	0	0	112.1	L368 A369 M372 D374 R375 A380 T381 L382	L368-A378 WeakPolarHBondContact CD2-O 3.19Å; L368-A378 HydrophobicContact CG-CB 4.24Å; A369-A378 VanDerWaalsContact CA-CB 3.47Å; A369-A378 HydrophobicContact CB-CB 3.83Å; M372-A378 HydrophobicContact CB-CB 4.36Å; M372-A378 HydrophobicContact CG-CB 4.31Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.49Å; R375-A378 WeakPolarHBondContact O-CB 3.36Å; R375-A378 PolarHBondContact O-N 3.37Å; A378-A380 VanDerWaalsContact C-N 3.31Å; A378-A380 PolarHBondContact O-N 3.34Å; A378-T381 PolarHBondContact O-N 3.26Å; A378-T381 VanDerWaalsContact O-N 3.16Å; A378-L382 VanDerWaalsContact O-CB 3.31Å; A378-L382 WeakPolarHBondContact O-CB 3.47Å; A378-L382 PolarHBondContact O-N 3.16Å
379	E	89.4	Confident	85.3	Confident	53 Å²	53	36 Å²	36	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.5	-167.4	-174.6	130.9	0	0	111	R375 T381 L382 L383 Y450 V453	R375-E379 PolarHBondContact O-N 2.88Å; E379-T381 VanDerWaalsContact C-N 3.33Å; E379-T381 PolarHBondContact O-N 3.3Å; E379-L382 PolarHBondContact O-N 2.95Å; E379-L383 HydrophobicContact CG-CD1 4.45Å; E379-L383 WeakPolarHBondContact O-CB 3.32Å; E379-L383 WeakPolarHBondContact O-CD1 3.38Å; E379-L383 WeakPolarHBondContact O-CG 3.38Å; E379-L383 PolarHBondContact O-N 2.74Å; E379-Y450 HydrophobicContact CB-CD2 3.98Å; E379-Y450 HydrophobicContact CB-CE2 3.53Å; E379-Y450 HydrophobicContact CG-CD2 4.19Å; E379-Y450 HydrophobicContact CG-CE2 4.07Å; E379-V453 HydrophobicContact CG-CG1 4.08Å
380	A	86	Confident	84.9	Confident	4 Å²	4	36 Å²	36	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-41	174.9	0	0	0	0	0	112.8	A376 L377 A378 L383 V384 F500 R502	A376-A380 PolarHBondContact O-N 3.48Å; L377-A380 WeakPolarHBondContact O-CB 3.46Å; L377-A380 PolarHBondContact O-N 2.86Å; A378-A380 VanDerWaalsContact C-N 3.31Å; A378-A380 PolarHBondContact O-N 3.34Å; A380-L383 WeakPolarHBondContact O-CB 3.46Å; A380-L383 PolarHBondContact O-N 3.19Å; A380-V384 WeakPolarHBondContact O-CG2 3.46Å; A380-V384 PolarHBondContact O-N 3.17Å; A380-V384 VanDerWaalsContact O-N 3.14Å; A380-F500 HydrophobicContact CB-CE1 3.87Å; A380-F500 HydrophobicContact CB-CZ 3.7Å; A380-R502 HydrophobicContact CB-CG 4.34Å
381	T	84.5	Confident	84.5	Confident	28 Å²	28	30.1 Å²	30.1	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-72.3	-39.5	-179	-53.4	0	0	0	0	110.6	L368 M372 L377 A378 E379 L383 V384 F385	L368-T381 HydrophobicContact CD1-CG2 3.97Å; L368-T381 HydrophobicContact CD2-CG2 4.25Å; M372-T381 HydrophobicContact SD-CG2 4.45Å; L377-T381 WeakPolarHBondContact O-CB 3.46Å; L377-T381 PolarHBondContact O-N 3.32Å; L377-T381 PolarHBondContact O-OG1 2.94Å; A378-T381 PolarHBondContact O-N 3.26Å; A378-T381 VanDerWaalsContact O-N 3.16Å; E379-T381 VanDerWaalsContact C-N 3.33Å; E379-T381 PolarHBondContact O-N 3.3Å; T381-L383 VanDerWaalsContact C-N 3.3Å; T381-L383 PolarHBondContact O-N 2.84Å; T381-V384 WeakPolarHBondContact O-CB 3.33Å; T381-V384 PolarHBondContact O-N 3.43Å; T381-V384 VanDerWaalsContact O-N 3.13Å; T381-F385 HydrophobicContact CG2-CD2 4.01Å; T381-F385 HydrophobicContact CG2-CE2 3.57Å; T381-F385 HydrophobicContact CG2-CZ 4.33Å; T381-F385 VanDerWaalsContact O-CD2 3.27Å; T381-F385 WeakPolarHBondContact O-CD2 3.45Å; T381-F385 PolarHBondContact O-N 2.82Å
382	L	87	Confident	84.5	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-40.8	171.6	178	65.4	0	0	0	111.3	I360 L368 A378 E379 V384 F385 M386 Y450 F454	I360-L382 HydrophobicContact CD1-CD1 4.06Å; L368-L382 HydrophobicContact CD2-CB 4.01Å; A378-L382 VanDerWaalsContact O-CB 3.31Å; A378-L382 WeakPolarHBondContact O-CB 3.47Å; A378-L382 PolarHBondContact O-N 3.16Å; E379-L382 PolarHBondContact O-N 2.95Å; L382-V384 VanDerWaalsContact C-N 3.32Å; L382-V384 PolarHBondContact O-N 3.09Å; L382-F385 PolarHBondContact O-N 3.2Å; L382-M386 HydrophobicContact CD1-CE 3.87Å; L382-M386 HydrophobicContact CD1-CG 4.2Å; L382-M386 HydrophobicContact CG-CG 4.33Å; L382-M386 VanDerWaalsContact O-CB 3.32Å; L382-M386 WeakPolarHBondContact O-CB 3.5Å; L382-M386 WeakPolarHBondContact O-CG 3.48Å; L382-M386 PolarHBondContact O-N 2.91Å; L382-Y450 HydrophobicContact CD2-CE1 3.57Å; L382-F454 HydrophobicContact CD2-CD2 3.95Å
383	L	86.8	Confident	84.6	Confident	29 Å²	29	22.8 Å²	22.8	15%	0.152	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-44.6	172.8	-82	156.8	0	0	0	111.6	E379 A380 T381 M386 M387 L457 F500	E379-L383 HydrophobicContact CG-CD1 4.45Å; E379-L383 WeakPolarHBondContact O-CB 3.32Å; E379-L383 WeakPolarHBondContact O-CD1 3.38Å; E379-L383 WeakPolarHBondContact O-CG 3.38Å; E379-L383 PolarHBondContact O-N 2.74Å; A380-L383 WeakPolarHBondContact O-CB 3.46Å; A380-L383 PolarHBondContact O-N 3.19Å; T381-L383 VanDerWaalsContact C-N 3.3Å; T381-L383 PolarHBondContact O-N 2.84Å; L383-M386 PolarHBondContact O-N 2.95Å; L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.08Å; L383-M387 VanDerWaalsContact O-N 3.16Å; L383-L457 HydrophobicContact CD2-CD1 3.28Å; L383-L457 HydrophobicContact CD2-CD2 3.36Å; L383-L457 HydrophobicContact CD2-CG 3.84Å; L383-L457 HydrophobicContact CG-CD1 3.73Å; L383-F500 HydrophobicContact CB-CE2 4.11Å; L383-F500 HydrophobicContact CB-CZ 4.24Å; L383-F500 HydrophobicContact CD1-CE2 3.61Å; L383-F500 HydrophobicContact CD1-CZ 3.93Å; L383-F500 HydrophobicContact CG-CE2 4.35Å
384	V	82.9	Confident	84.8	Confident	44 Å²	44	19.5 Å²	19.5	27%	0.267	10%	0.104	S	C	.	.	H	α-helix	trans	-60.8	-49.9	174.9	173.5	0	0	0	0	111.1	A380 T381 L382 M386 M387 L388 I484 F500	A380-V384 WeakPolarHBondContact O-CG2 3.46Å; A380-V384 PolarHBondContact O-N 3.17Å; A380-V384 VanDerWaalsContact O-N 3.14Å; T381-V384 WeakPolarHBondContact O-CB 3.33Å; T381-V384 PolarHBondContact O-N 3.43Å; T381-V384 VanDerWaalsContact O-N 3.13Å; L382-V384 VanDerWaalsContact C-N 3.32Å; L382-V384 PolarHBondContact O-N 3.09Å; V384-M386 VanDerWaalsContact C-N 3.34Å; V384-M386 PolarHBondContact O-N 3.27Å; V384-M387 HydrophobicContact CG2-CE 4.39Å; V384-M387 WeakPolarHBondContact O-CB 3.24Å; V384-M387 PolarHBondContact O-N 3.37Å; V384-M387 VanDerWaalsContact O-N 3.08Å; V384-L388 PolarHBondContact O-N 2.94Å; V384-I484 HydrophobicContact CB-CD1 4.23Å; V384-I484 HydrophobicContact CG1-CD1 3.65Å; V384-I484 HydrophobicContact CG2-CD1 3.88Å; V384-F500 HydrophobicContact CG2-CD1 4.31Å; V384-F500 HydrophobicContact CG2-CE1 4.48Å
385	F	84.3	Confident	85	Confident	25 Å²	25	15.8 Å²	15.8	11%	0.11	8%	0.084	C	C	.	.	H	α-helix	trans	-58.9	-44.6	177.5	-73.4	-55.6	0	0	0	111.9	T358 I360 L368 T381 L382 M387 L388 L392	T358-F385 HydrophobicContact CG2-CD1 4.31Å; T358-F385 HydrophobicContact CG2-CE1 4.42Å; I360-F385 HydrophobicContact CD1-CB 3.75Å; I360-F385 HydrophobicContact CD1-CD2 4.36Å; I360-F385 HydrophobicContact CD1-CG 4.18Å; I360-F385 HydrophobicContact CG1-CB 4.07Å; I360-F385 HydrophobicContact CG1-CD1 4.46Å; I360-F385 HydrophobicContact CG1-CD2 4.11Å; I360-F385 HydrophobicContact CG1-CG 3.99Å; I360-F385 HydrophobicContact CG2-CD2 4.01Å; I360-F385 HydrophobicContact CG2-CE2 4.21Å; L368-F385 HydrophobicContact CD1-CE2 4.08Å; L368-F385 HydrophobicContact CD2-CD2 4.3Å; L368-F385 HydrophobicContact CD2-CE2 4.35Å; T381-F385 HydrophobicContact CG2-CD2 4.01Å; T381-F385 HydrophobicContact CG2-CE2 3.57Å; T381-F385 HydrophobicContact CG2-CZ 4.33Å; T381-F385 VanDerWaalsContact O-CD2 3.27Å; T381-F385 WeakPolarHBondContact O-CD2 3.45Å; T381-F385 PolarHBondContact O-N 2.82Å; L382-F385 PolarHBondContact O-N 3.2Å; F385-M387 PolarHBondContact O-N 3.02Å; F385-M387 VanDerWaalsContact O-N 3.15Å; F385-L388 HydrophobicContact CD1-CD1 3.76Å; F385-L388 HydrophobicContact CE1-CD1 4.47Å; F385-L388 VanDerWaalsContact O-CB 3.28Å; F385-L388 WeakPolarHBondContact O-CB 3.44Å; F385-L388 WeakPolarHBondContact O-CG 3.48Å; F385-L388 PolarHBondContact O-N 3.15Å; F385-L392 WeakPolarHBondContact O-CD1 3.44Å
386	M	86.4	Confident	85.3	Confident	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-20.5	177.7	-72.7	-70.4	177.9	0	0	113.6	L118 L382 L383 V384 L392 L394 F454 L457 R461 F467	L118-M386 HydrophobicContact CD1-CE 4.01Å; L118-M386 HydrophobicContact CD1-SD 4.1Å; L118-M386 HydrophobicContact CD2-CE 4.13Å; L118-M386 HydrophobicContact CD2-SD 3.78Å; L382-M386 HydrophobicContact CD1-CE 3.87Å; L382-M386 HydrophobicContact CD1-CG 4.2Å; L382-M386 HydrophobicContact CG-CG 4.33Å; L382-M386 VanDerWaalsContact O-CB 3.32Å; L382-M386 WeakPolarHBondContact O-CB 3.5Å; L382-M386 WeakPolarHBondContact O-CG 3.48Å; L382-M386 PolarHBondContact O-N 2.91Å; L383-M386 PolarHBondContact O-N 2.95Å; V384-M386 VanDerWaalsContact C-N 3.34Å; V384-M386 PolarHBondContact O-N 3.27Å; M386-L392 HydrophobicContact CG-CD1 4.42Å; M386-L392 HydrophobicContact SD-CD1 3.79Å; M386-L394 HydrophobicContact CE-CD2 4.47Å; M386-F454 HydrophobicContact CE-CD2 3.78Å; M386-F454 HydrophobicContact CE-CE2 3.27Å; M386-F454 HydrophobicContact CE-CZ 3.99Å; M386-L457 HydrophobicContact CB-CB 4.33Å; M386-L457 HydrophobicContact CB-CD1 4.42Å; M386-L457 HydrophobicContact CG-CB 4.24Å; M386-L457 HydrophobicContact CG-CD1 4.3Å; M386-R461 PolarHBondContact O-NH1 3.41Å; M386-F467 WeakPolarHBondContact O-CE1 3.45Å
387	M	81.8	Confident	85.4	Confident	10 Å²	10	10.9 Å²	10.9	5%	0.049	6%	0.058	C	C	.	.	H	α-helix	trans	-85.9	-14	172.3	-70.4	-174.4	-67.9	0	0	113.9	L383 V384 F385 F467 I484 R486 F500	L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.08Å; L383-M387 VanDerWaalsContact O-N 3.16Å; V384-M387 HydrophobicContact CG2-CE 4.39Å; V384-M387 WeakPolarHBondContact O-CB 3.24Å; V384-M387 PolarHBondContact O-N 3.37Å; V384-M387 VanDerWaalsContact O-N 3.08Å; F385-M387 PolarHBondContact O-N 3.02Å; F385-M387 VanDerWaalsContact O-N 3.15Å; M387-F467 HydrophobicContact CB-CE1 4.38Å; M387-F467 HydrophobicContact CG-CE1 3.91Å; M387-F467 HydrophobicContact CG-CZ 4.22Å; M387-I484 HydrophobicContact CB-CG2 4.13Å; M387-I484 HydrophobicContact CE-CB 3.79Å; M387-I484 HydrophobicContact CE-CD1 3.93Å; M387-I484 HydrophobicContact CE-CG1 4.44Å; M387-I484 HydrophobicContact CE-CG2 3.78Å; M387-I484 HydrophobicContact SD-CB 4.19Å; M387-I484 HydrophobicContact SD-CG2 3.8Å; M387-R486 WeakPolarHBondContact O-CD 3.29Å; M387-R486 PolarHBondContact O-NH1 3.39Å; M387-F500 HydrophobicContact CE-CB 4.04Å; M387-F500 HydrophobicContact CE-CG 4.39Å
388	L	79.7	Confident	85.7	Confident	3 Å²	3	9.9 Å²	9.9	2%	0.016	5%	0.053	C	C	.	.	S	Bend	trans	-65.1	144.4	179.1	-62.6	-178.1	0	0	0	111.6	L340 T358 V384 F385 L392 R461 M472	L340-L388 HydrophobicContact CD1-CD1 3.66Å; L340-L388 HydrophobicContact CD2-CD1 4.2Å; L340-L388 HydrophobicContact CD2-CD2 3.57Å; T358-L388 HydrophobicContact CG2-CD1 4.02Å; V384-L388 PolarHBondContact O-N 2.94Å; F385-L388 HydrophobicContact CD1-CD1 3.76Å; F385-L388 HydrophobicContact CE1-CD1 4.47Å; F385-L388 VanDerWaalsContact O-CB 3.28Å; F385-L388 WeakPolarHBondContact O-CB 3.44Å; F385-L388 WeakPolarHBondContact O-CG 3.48Å; F385-L388 PolarHBondContact O-N 3.15Å; L388-L392 HydrophobicContact CB-CD2 4.38Å; L388-R461 VanDerWaalsContact O-CZ 3.26Å; L388-R461 PolarHBondContact O-NH1 3.38Å; L388-R461 PolarHBondContact O-NH2 2.93Å; L388-M472 HydrophobicContact CD2-CE 3.58Å; L388-M472 HydrophobicContact CD2-SD 3.55Å; L388-M472 VanDerWaalsContact CD2-SD 3.55Å
389	P	77.9	Confident	85.9	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.053	C	C	.	.	S	Bend	trans	-69.9	157.4	170.6	27.8	-31.5	0	0	0	111.9	R336 V352 F354	R336-P389 PolarHBondContact NH2-O 3.23Å; V352-P389 HydrophobicContact CB-CG 3.54Å; V352-P389 HydrophobicContact CG1-CG 3.5Å; F354-P389 HydrophobicContact CD1-CB 3.56Å; F354-P389 HydrophobicContact CD2-CB 4.23Å; F354-P389 HydrophobicContact CE1-CB 3.03Å; F354-P389 HydrophobicContact CE1-CG 4.46Å; F354-P389 HydrophobicContact CE2-CB 3.83Å; F354-P389 HydrophobicContact CG-CB 4.11Å; F354-P389 HydrophobicContact CZ-CB 3.21Å; F354-P389 HydrophobicContact CZ-CG 4.38Å
390	G	78.8	Confident	86.1	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	98.7	-153.7	176.6	0	0	0	0	0	113.5	Q115 F354 R461	Q115-G390 CarbonylContact O-C 3.09Å; Q115-G390 WeakPolarHBondContact O-CA 2.95Å; F354-G390 VanDerWaalsContact CD1-N 3.29Å; F354-G390 WeakPolarHBondContact O-CA 3.15Å; G390-R461 PolarHBondContact O-NH2 3.36Å
391	S	80.6	Confident	86.3	Confident	3 Å²	3	7.2 Å²	7.2	2%	0.021	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.8	172.5	-75	0	0	0	0	111	W114 R117 L357 T358	W114-S391 WeakPolarHBondContact O-CB 3.38Å; W114-S391 PolarHBondContact O-OG 3.35Å; R117-S391 WeakPolarHBondContact O-CB 3.42Å; R117-S391 PolarHBondContact O-OG 2.99Å; R117-S391 VanDerWaalsContact O-OG 3.07Å; L357-S391 CarbonylContact C-O 3.54Å; L357-S391 WeakPolarHBondContact CA-O 3.3Å; T358-S391 PolarHBondContact N-O 2.62Å
392	L	86.5	Confident	86.4	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.3	174.7	-56.3	174	0	0	0	107.8	L118 C119 T358 I360 F385 M386 L388	L118-L392 HydrophobicContact CD2-CB 3.78Å; L118-L392 HydrophobicContact CD2-CD1 3.79Å; L118-L392 HydrophobicContact CD2-CG 4.12Å; C119-L392 WeakPolarHBondContact CA-O 3.36Å; C119-L392 WeakPolarHBondContact CB-O 3.46Å; C119-L392 PolarHBondContact N-O 2.71Å; T358-L392 HydrophobicContact CG2-CD2 4.47Å; T358-L392 CarbonylContact O-C 3.6Å; T358-L392 WeakPolarHBondContact O-CA 3.49Å; I360-L392 HydrophobicContact CD1-CB 4.3Å; I360-L392 HydrophobicContact CD1-CD1 4.45Å; F385-L392 WeakPolarHBondContact O-CD1 3.44Å; M386-L392 HydrophobicContact CG-CD1 4.42Å; M386-L392 HydrophobicContact SD-CD1 3.79Å; L388-L392 HydrophobicContact CB-CD2 4.38Å
393	D	87.3	Confident	86.5	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.6	174.4	-168.4	26.8	0	0	0	108.1	C119 R157 L357 T358 N359 I360	C119-D393 HydrophobicContact CB-CB 4.35Å; C119-D393 WeakPolarHBondContact O-CA 3.14Å; R157-D393 IonicContact CZ-OD2 3.2Å; R157-D393 IonicContact NH1-OD2 2.82Å; R157-D393 PolarHBondContact NH1-OD2 3Å; L357-D393 HydrophobicContact CD1-CB 3.87Å; L357-D393 HydrophobicContact CD2-CB 3.44Å; L357-D393 VanDerWaalsContact CD2-CB 3.44Å; L357-D393 HydrophobicContact CG-CB 3.74Å; T358-D393 PolarHBondContact O-N 3.43Å; N359-D393 PolarHBondContact ND2-OD2 3Å; I360-D393 PolarHBondContact N-O 2.93Å
394	L	89.8	Confident	86.4	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.8	179.1	59.7	133.6	0	0	0	110	L118 C119 Y120 Q121 I360 M386 E398 F454	L118-L394 HydrophobicContact CB-CD2 4.34Å; L118-L394 HydrophobicContact CD2-CD2 4.46Å; C119-L394 WeakPolarHBondContact O-CD2 3.46Å; C119-L394 PolarHBondContact O-N 3.2Å; Y120-L394 CarbonylContact C-O 3.6Å; Y120-L394 WeakPolarHBondContact CA-O 3.27Å; Y120-L394 HydrophobicContact CD2-CD1 3.45Å; Y120-L394 VanDerWaalsContact CD2-CD1 3.45Å; Y120-L394 HydrophobicContact CD2-CG 3.87Å; Y120-L394 HydrophobicContact CE2-CD1 3.7Å; Q121-L394 PolarHBondContact N-O 2.84Å; I360-L394 HydrophobicContact CD1-CB 4.42Å; M386-L394 HydrophobicContact CE-CD2 4.47Å; L394-E398 HydrophobicContact CB-CB 4.43Å; L394-E398 HydrophobicContact CD1-CB 4.36Å; L394-F454 HydrophobicContact CD1-CE2 3.65Å; L394-F454 HydrophobicContact CD1-CZ 3.74Å; L394-F454 HydrophobicContact CD2-CE2 4.35Å; L394-F454 HydrophobicContact CD2-CZ 4.36Å
395	M	89.9	Confident	86.3	Confident	3 Å²	3	8.2 Å²	8.2	2%	0.015	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	148.7	169.1	-169.1	167.7	65	0	0	110.3	Q121 S361 N362 S363 E398 V407	Q121-M395 WeakPolarHBondContact O-CA 3.41Å; S361-M395 WeakPolarHBondContact OG-CB 3.49Å; N362-M395 WeakPolarHBondContact O-CE 3.38Å; S363-M395 VanDerWaalsContact CA-SD 3.56Å; S363-M395 PolarHBondContact N-SD 3.42Å; S363-M395 VanDerWaalsContact N-SD 3.44Å; M395-E398 WeakPolarHBondContact O-CB 3.49Å; M395-E398 VanDerWaalsContact O-CG 3.25Å; M395-E398 WeakPolarHBondContact O-CG 3.33Å; M395-E398 PolarHBondContact O-N 2.72Å; M395-V407 HydrophobicContact SD-CG2 4.27Å
396	Y	91.7	Very high	86	Confident	1 Å²	1	11.9 Å²	11.9	0%	0.004	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	147.1	172.8	75.6	-83.1	0	0	0	112.2	Y120 Q121 W123 F127 E398 V407 H408 M410	Y120-Y396 VanDerWaalsContact CZ-CA 3.44Å; Y120-Y396 VanDerWaalsContact CZ-CB 3.43Å; Y120-Y396 VanDerWaalsContact OH-CA 3.31Å; Y120-Y396 WeakPolarHBondContact OH-CA 3.46Å; Y120-Y396 WeakPolarHBondContact OH-CB 3.18Å; Q121-Y396 PolarHBondContact O-N 3.35Å; W123-Y396 HydrophobicContact CB-CE1 3.63Å; F127-Y396 HydrophobicContact CD2-CD2 4.18Å; F127-Y396 HydrophobicContact CD2-CG 4.01Å; F127-Y396 HydrophobicContact CE2-CG 4.43Å; Y396-E398 VanDerWaalsContact C-N 3.28Å; Y396-E398 PolarHBondContact O-N 2.8Å; Y396-V407 VanDerWaalsContact OH-CG1 3.27Å; Y396-V407 WeakPolarHBondContact OH-CG1 3.41Å; Y396-H408 WeakPolarHBondContact CE2-O 3.3Å; Y396-H408 PolarHBondContact OH-O 3.09Å; Y396-M410 HydrophobicContact CD2-CB 3.61Å; Y396-M410 HydrophobicContact CD2-CG 4.02Å; Y396-M410 HydrophobicContact CD2-SD 3.73Å; Y396-M410 HydrophobicContact CE2-CB 3.64Å
397	G	90.3	Very high	85.7	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-17.3	-176.2	0	0	0	0	0	113.8	E399 L400 G401	G397-E399 VanDerWaalsContact C-N 3.25Å; G397-E399 PolarHBondContact N-OE1 3.34Å; G397-E399 PolarHBondContact N-OE2 3.44Å; G397-E399 PolarHBondContact O-N 2.89Å; G397-L400 WeakPolarHBondContact O-CB 3.12Å; G397-L400 PolarHBondContact O-N 2.75Å; G397-G401 PolarHBondContact O-N 3Å
398	E	90.5	Very high	85.8	Confident	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-60.1	-37.5	171.1	-73.7	-61.1	159.4	0	0	111.9	S361 S367 L368 L394 M395 Y396 L400 G401 Y450	S361-E398 WeakPolarHBondContact CB-OE1 3.16Å; S361-E398 WeakPolarHBondContact OG-CG 3.02Å; S361-E398 PolarHBondContact OG-OE1 3.46Å; S367-E398 WeakPolarHBondContact CA-OE1 3.13Å; L368-E398 WeakPolarHBondContact CB-OE2 3.37Å; L368-E398 PolarHBondContact N-OE1 3.06Å; L368-E398 PolarHBondContact N-OE2 3.24Å; L368-E398 VanDerWaalsContact N-OE2 3.17Å; L394-E398 HydrophobicContact CB-CB 4.43Å; L394-E398 HydrophobicContact CD1-CB 4.36Å; M395-E398 WeakPolarHBondContact O-CB 3.49Å; M395-E398 VanDerWaalsContact O-CG 3.25Å; M395-E398 WeakPolarHBondContact O-CG 3.33Å; M395-E398 PolarHBondContact O-N 2.72Å; Y396-E398 VanDerWaalsContact C-N 3.28Å; Y396-E398 PolarHBondContact O-N 2.8Å; E398-L400 PolarHBondContact O-N 3.3Å; E398-G401 PolarHBondContact O-N 3.2Å; E398-G401 VanDerWaalsContact O-N 3.15Å; E398-Y450 WeakPolarHBondContact O-CE1 3.43Å
399	E	92.4	Very high	86.3	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-67.3	-13.5	176.1	76.1	-74	-177.9	0	0	113.7	Y120 I151 G397 M410 Y450 L451 F454	Y120-E399 WeakPolarHBondContact CE2-OE2 3.37Å; Y120-E399 PolarHBondContact OH-OE1 3.2Å; Y120-E399 PolarHBondContact OH-OE2 3.27Å; I151-E399 HydrophobicContact CD1-CG 4.13Å; G397-E399 VanDerWaalsContact C-N 3.25Å; G397-E399 PolarHBondContact N-OE1 3.34Å; G397-E399 PolarHBondContact N-OE2 3.44Å; G397-E399 PolarHBondContact O-N 2.89Å; E399-M410 WeakPolarHBondContact OE1-CE 3.09Å; E399-Y450 WeakPolarHBondContact O-CD1 3.48Å; E399-L451 HydrophobicContact CB-CD1 3.99Å; E399-L451 HydrophobicContact CG-CD1 3.61Å; E399-L451 VanDerWaalsContact O-CA 3.24Å; E399-L451 WeakPolarHBondContact O-CA 3.32Å; E399-L451 PolarHBondContact O-N 2.92Å; E399-F454 HydrophobicContact CB-CB 4.26Å; E399-F454 HydrophobicContact CB-CD1 3.68Å; E399-F454 HydrophobicContact CB-CD2 3.73Å; E399-F454 HydrophobicContact CB-CE1 3.94Å; E399-F454 HydrophobicContact CB-CE2 3.97Å; E399-F454 HydrophobicContact CB-CG 3.61Å; E399-F454 HydrophobicContact CB-CZ 4.09Å
400	L	92.4	Very high	86.9	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-98.1	-14.5	176	-60.4	-179.1	0	0	0	112.1	G397 E398 V402 M410 C411 F440 Q443 L451	G397-L400 WeakPolarHBondContact O-CB 3.12Å; G397-L400 PolarHBondContact O-N 2.75Å; E398-L400 PolarHBondContact O-N 3.3Å; L400-V402 VanDerWaalsContact C-N 3.27Å; L400-V402 HydrophobicContact CB-CG2 3.78Å; L400-V402 HydrophobicContact CD1-CG2 4.44Å; L400-V402 PolarHBondContact O-N 2.96Å; L400-M410 HydrophobicContact CD1-CE 3.83Å; L400-M410 HydrophobicContact CD1-SD 3.97Å; L400-M410 HydrophobicContact CG-CE 4.44Å; L400-C411 HydrophobicContact CD1-CB 4.19Å; L400-F440 HydrophobicContact CD2-CB 4.13Å; L400-F440 HydrophobicContact CD2-CD2 4.18Å; L400-Q443 PolarHBondContact O-NE2 3.39Å; L400-L451 HydrophobicContact CD2-CB 4.4Å; L400-L451 HydrophobicContact CD2-CD1 4.22Å; L400-L451 HydrophobicContact CD2-CD2 4.22Å
401	G	90.1	Very high	87.6	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	32	-176.5	0	0	0	0	0	113	R375 G397 E398	R375-G401 PolarHBondContact NE-O 3.36Å; R375-G401 PolarHBondContact NH2-O 3.15Å; G397-G401 PolarHBondContact O-N 3Å; E398-G401 PolarHBondContact O-N 3.2Å; E398-G401 VanDerWaalsContact O-N 3.15Å
402	V	87.7	Confident	88.1	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.074	C	C	.	.			trans	-68.6	135.6	177.6	177.3	0	0	0	0	109.3	S367 L400 V404 S432 E434 Q438	S367-V402 VanDerWaalsContact CB-O 3.29Å; S367-V402 WeakPolarHBondContact CB-O 3.42Å; S367-V402 PolarHBondContact OG-O 3.16Å; L400-V402 VanDerWaalsContact C-N 3.27Å; L400-V402 HydrophobicContact CB-CG2 3.78Å; L400-V402 HydrophobicContact CD1-CG2 4.44Å; L400-V402 PolarHBondContact O-N 2.96Å; V402-V404 HydrophobicContact CG1-CG1 3.75Å; V402-V404 HydrophobicContact CG1-CG2 4.18Å; V402-V404 PolarHBondContact O-N 3.34Å; V402-S432 WeakPolarHBondContact CG1-OG 3.18Å; V402-E434 WeakPolarHBondContact CA-OE2 3.4Å; V402-Q438 HydrophobicContact CG2-CB 4.32Å
403	T	88.9	Confident	88.2	Confident	50 Å²	50	16.2 Å²	16.2	31%	0.307	9%	0.092	S	C	.	.			trans	-92.5	96	178.3	67.1	0	0	0	0	110.8	A369 E434	A369-T403 HydrophobicContact CB-CG2 3.71Å; T403-E434 PolarHBondContact N-OE2 3.01Å; T403-E434 VanDerWaalsContact OG1-CD 3.32Å; T403-E434 PolarHBondContact OG1-OE1 3.12Å
404	V	85	Confident	87.8	Confident	10 Å²	10	17.7 Å²	17.7	6%	0.061	11%	0.107	C	C	.	.			trans	-136.4	140	-178.6	-78.2	0	0	0	0	112.1	G366 S367 Y370 V402 H408	G366-V404 CarbonylContact C-O 3.38Å; G366-V404 WeakPolarHBondContact CA-O 3.44Å; S367-V404 PolarHBondContact N-O 2.67Å; S367-V404 PolarHBondContact OG-N 3.47Å; S367-V404 PolarHBondContact OG-O 3.27Å; Y370-V404 VanDerWaalsContact CB-O 3.24Å; Y370-V404 WeakPolarHBondContact CB-O 3.49Å; V402-V404 HydrophobicContact CG1-CG1 3.75Å; V402-V404 HydrophobicContact CG1-CG2 4.18Å; V402-V404 PolarHBondContact O-N 3.34Å; V404-H408 HydrophobicContact CB-CB 4.4Å; V404-H408 HydrophobicContact CG1-CB 4.02Å; V404-H408 HydrophobicContact CG2-CB 4.31Å; V404-H408 WeakPolarHBondContact CG2-ND1 3.25Å
405	P	81.1	Confident	87.1	Confident	63 Å²	63	23.1 Å²	23.1	41%	0.409	13%	0.132	S	C	.	.	S	Bend	trans	-75.3	-24.8	-178.8	29.2	-34.9	0	0	0	113.8	G366 Y370	G366-P405 VanDerWaalsContact CA-C 3.47Å; G366-P405 WeakPolarHBondContact CA-O 3.24Å; G366-P405 PolarHBondContact N-O 3.01Å; Y370-P405 HydrophobicContact CD1-CB 4.34Å; Y370-P405 HydrophobicContact CD2-CB 4.35Å; Y370-P405 HydrophobicContact CE1-CB 3.88Å; Y370-P405 HydrophobicContact CE2-CB 3.9Å
406	N	76.6	Confident	86.3	Confident	101 Å²	101	23 Å²	23	54%	0.54	13%	0.132	S	C	.	.	S	Bend	trans	-141.5	-178.9	-173	-61.4	-42.8	0	0	0	110.2	H408	N406-H408 PolarHBondContact O-N 2.89Å
407	V	80.1	Confident	84.9	Confident	18 Å²	18	30.3 Å²	30.3	11%	0.109	16%	0.159	C	C	.	.			trans	-50.7	136.8	168.2	-173.1	0	0	0	0	110.9	W123 S363 M395 Y396 A429	W123-V407 HydrophobicContact CB-CG1 4.27Å; W123-V407 HydrophobicContact CD2-CG1 3.69Å; W123-V407 HydrophobicContact CE3-CG1 3.32Å; W123-V407 HydrophobicContact CG-CG1 4.14Å; W123-V407 HydrophobicContact CZ3-CG1 3.83Å; S363-V407 WeakPolarHBondContact O-CG2 3.25Å; M395-V407 HydrophobicContact SD-CG2 4.27Å; Y396-V407 VanDerWaalsContact OH-CG1 3.27Å; Y396-V407 WeakPolarHBondContact OH-CG1 3.41Å; V407-A429 HydrophobicContact CG1-CB 4.15Å
408	H	85	Confident	83.5	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.014	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-137.2	159.1	-175	64.5	-66.7	0	0	0	109.4	Y396 V404 N406 M410 S430	Y396-H408 WeakPolarHBondContact CE2-O 3.3Å; Y396-H408 PolarHBondContact OH-O 3.09Å; V404-H408 HydrophobicContact CB-CB 4.4Å; V404-H408 HydrophobicContact CG1-CB 4.02Å; V404-H408 HydrophobicContact CG2-CB 4.31Å; V404-H408 WeakPolarHBondContact CG2-ND1 3.25Å; N406-H408 PolarHBondContact O-N 2.89Å; H408-M410 PolarHBondContact O-N 2.79Å; H408-S430 CarbonylContact C-O 3.6Å; H408-S430 VanDerWaalsContact CA-O 3.29Å; H408-S430 WeakPolarHBondContact CA-O 3.41Å; H408-S430 WeakPolarHBondContact CB-O 3.48Å
409	L	89.3	Confident	82.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.186	C	C	.	.			trans	-67.3	136.8	173.2	-60.5	-177.7	0	0	0	110.9	G126 C411 E416 W419 S420 M427 A429 S430 V431	G126-L409 VanDerWaalsContact CA-CD2 3.49Å; G126-L409 WeakPolarHBondContact O-CA 3.05Å; L409-C411 PolarHBondContact O-N 3.05Å; L409-E416 HydrophobicContact CB-CB 4.39Å; L409-W419 HydrophobicContact CD1-CZ2 4.44Å; L409-W419 HydrophobicContact CD2-CH2 3.97Å; L409-W419 HydrophobicContact CD2-CZ2 4.29Å; L409-S420 WeakPolarHBondContact CD1-OG 3.42Å; L409-M427 HydrophobicContact CD2-CE 3.34Å; L409-M427 HydrophobicContact CD2-SD 3.99Å; L409-A429 HydrophobicContact CD2-CB 3.93Å; L409-A429 HydrophobicContact CG-CB 4.34Å; L409-S430 PolarHBondContact N-O 3Å; L409-V431 HydrophobicContact CB-CG2 4.31Å; L409-V431 HydrophobicContact CD1-CG2 3.54Å; L409-V431 HydrophobicContact CG-CG2 4.28Å
410	M	91.7	Very high	81.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.			trans	-64.3	117.3	-178.6	177.5	51.6	177.8	0	0	110.6	G126 F127 Y396 E399 L400 H408 W412 E416 F440	G126-M410 PolarHBondContact O-N 3.19Å; F127-M410 HydrophobicContact CD2-CB 4.07Å; F127-M410 HydrophobicContact CD2-CG 4.04Å; F127-M410 HydrophobicContact CE2-CG 4.12Å; F127-M410 WeakPolarHBondContact O-CB 3.41Å; Y396-M410 HydrophobicContact CD2-CB 3.61Å; Y396-M410 HydrophobicContact CD2-CG 4.02Å; Y396-M410 HydrophobicContact CD2-SD 3.73Å; Y396-M410 HydrophobicContact CE2-CB 3.64Å; E399-M410 WeakPolarHBondContact OE1-CE 3.09Å; L400-M410 HydrophobicContact CD1-CE 3.83Å; L400-M410 HydrophobicContact CD1-SD 3.97Å; L400-M410 HydrophobicContact CG-CE 4.44Å; H408-M410 PolarHBondContact O-N 2.79Å; M410-W412 HydrophobicContact CE-CH2 4.33Å; M410-W412 HydrophobicContact CE-CZ2 4.29Å; M410-W412 HydrophobicContact CE-CZ3 4.5Å; M410-W412 HydrophobicContact CG-CD2 4.22Å; M410-W412 HydrophobicContact CG-CG 4.33Å; M410-W412 HydrophobicContact CG-CZ2 4.01Å; M410-W412 PolarHBondContact O-N 3.32Å; M410-E416 WeakPolarHBondContact O-CG 3.38Å; M410-F440 HydrophobicContact CE-CD2 4.22Å
411	C	91.9	Very high	79.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.			trans	-75.7	85.6	-179.1	-48.2	0	0	0	0	111.4	L400 L409 C435 N439 F440	L400-C411 HydrophobicContact CD1-CB 4.19Å; L409-C411 PolarHBondContact O-N 3.05Å; C411-C435 HydrophobicContact CB-CB 3.58Å; C411-C435 WeakPolarHBondContact CB-SG 3.13Å; C411-C435 WeakPolarHBondContact SG-CA 3.45Å; C411-C435 WeakPolarHBondContact SG-CB 3.49Å; C411-C435 CovalentContact SG-SG 2.03Å; C411-C435 PolarHBondContact SG-SG 3.02Å; C411-N439 HydrophobicContact CB-CB 4.02Å; C411-N439 CarbonylContact O-C 3.3Å; C411-N439 VanDerWaalsContact O-CA 3.23Å; C411-N439 WeakPolarHBondContact O-CA 3.09Å; C411-N439 WeakPolarHBondContact O-CB 3.45Å; C411-F440 PolarHBondContact O-N 2.98Å
412	W	92.7	Very high	78.6	Confident	17 Å²	17	47 Å²	47	6%	0.064	25%	0.251	C	S	.	.	S	Bend	trans	-76.1	-54.4	176.7	-74.1	104.2	0	0	0	113.2	F127 K144 E147 M410 E416 F440 E441	F127-W412 HydrophobicContact CD1-CZ2 4.45Å; F127-W412 HydrophobicContact CD2-CZ2 4.45Å; F127-W412 AromaticContact CE1-CZ2 3.78Å; F127-W412 HydrophobicContact CE1-CZ2 3.78Å; F127-W412 HydrophobicContact CE2-CH2 4.5Å; F127-W412 AromaticContact CE2-CZ2 3.76Å; F127-W412 HydrophobicContact CE2-CZ2 3.76Å; F127-W412 AromaticContact CZ-CH2 4Å; F127-W412 HydrophobicContact CZ-CH2 4Å; F127-W412 AromaticContact CZ-CZ2 3.41Å; F127-W412 HydrophobicContact CZ-CZ2 3.41Å; F127-W412 VanDerWaalsContact CZ-CZ2 3.41Å; F127-W412 PolarHBondContact O-NE1 3.31Å; K144-W412 HydrophobicContact CB-CH2 3.6Å; K144-W412 HydrophobicContact CB-CZ2 3.66Å; K144-W412 HydrophobicContact CB-CZ3 4.45Å; K144-W412 HydrophobicContact CD-CD2 3.98Å; K144-W412 HydrophobicContact CD-CE3 3.97Å; K144-W412 HydrophobicContact CD-CH2 3.73Å; K144-W412 HydrophobicContact CD-CZ2 3.7Å; K144-W412 HydrophobicContact CD-CZ3 3.86Å; K144-W412 HydrophobicContact CG-CD2 4.48Å; K144-W412 HydrophobicContact CG-CH2 3.71Å; K144-W412 HydrophobicContact CG-CZ2 3.39Å; K144-W412 HydrophobicContact CG-CZ3 4.36Å; E147-W412 HydrophobicContact CB-CH2 4.44Å; E147-W412 HydrophobicContact CB-CZ3 4.02Å; E147-W412 HydrophobicContact CG-CZ3 4.31Å; M410-W412 HydrophobicContact CE-CH2 4.33Å; M410-W412 HydrophobicContact CE-CZ2 4.29Å; M410-W412 HydrophobicContact CE-CZ3 4.5Å; M410-W412 HydrophobicContact CG-CD2 4.22Å; M410-W412 HydrophobicContact CG-CG 4.33Å; M410-W412 HydrophobicContact CG-CZ2 4.01Å; M410-W412 PolarHBondContact O-N 3.32Å; W412-E416 WeakPolarHBondContact CA-OE1 3.2Å; W412-E416 PolarHBondContact N-OE1 3.3Å; W412-F440 HydrophobicContact CE3-CB 4.07Å; W412-F440 AromaticContact CE3-CD1 3.96Å; W412-F440 HydrophobicContact CE3-CD1 3.96Å; W412-F440 AromaticContact CE3-CG 3.95Å; W412-F440 HydrophobicContact CE3-CG 3.95Å; W412-F440 AromaticContact CZ3-CD1 3.92Å; W412-F440 HydrophobicContact CZ3-CD1 3.92Å; W412-F440 HydrophobicContact CZ3-CD2 4.13Å; W412-F440 HydrophobicContact CZ3-CE1 4.09Å; W412-F440 HydrophobicContact CZ3-CE2 4.3Å; W412-F440 AromaticContact CZ3-CG 3.94Å; W412-F440 HydrophobicContact CZ3-CG 3.94Å; W412-F440 HydrophobicContact CZ3-CZ 4.3Å; W412-F440 PolarHBondContact O-N 3.22Å; W412-E441 PolarHBondContact O-N 2.86Å
413	N	88.3	Confident	77.6	Confident	70 Å²	70	48.7 Å²	48.7	37%	0.374	26%	0.258	S	S	.	.	S	Bend	trans	-140.4	0.2	-172	66.4	4.9	0	0	0	113.7	Q415 E416	N413-Q415 WeakPolarHBondContact OD1-CB 3.34Å; N413-Q415 PolarHBondContact OD1-N 3.02Å; N413-E416 PolarHBondContact N-OE1 3.08Å; N413-E416 PolarHBondContact OD1-OE1 3.39Å
414	G	78	Confident	76	Confident	31 Å²	31	55.1 Å²	55.1	32%	0.32	28%	0.284	S	S	.	.	S	Bend	trans	91.4	-1.4	179.9	0	0	0	0	0	114.3	E416	G414-E416 WeakPolarHBondContact CA-OE2 3.07Å; G414-E416 PolarHBondContact N-OE1 3.26Å; G414-E416 PolarHBondContact N-OE2 3.2Å
415	Q	75.2	Confident	74.8	Confident	114 Å²	114	60.1 Å²	60.1	53%	0.533	31%	0.307	S	S	.	.			trans	-94.9	14.1	177.7	-58.8	-162.4	-90	0	0	113.2	N413 R417 D418	N413-Q415 WeakPolarHBondContact OD1-CB 3.34Å; N413-Q415 PolarHBondContact OD1-N 3.02Å; Q415-R417 PolarHBondContact O-N 2.63Å; Q415-R417 VanDerWaalsContact O-N 3.09Å; Q415-D418 PolarHBondContact NE2-OD2 2.95Å; Q415-D418 WeakPolarHBondContact O-CB 3.44Å; Q415-D418 PolarHBondContact O-N 2.93Å
416	E	72.8	Confident	73.7	Confident	2 Å²	2	62 Å²	62	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-21.3	-172.3	-64.5	69.5	-149.1	0	0	113.6	L409 M410 W412 N413 G414 D418 W419 S420 V431	L409-E416 HydrophobicContact CB-CB 4.39Å; M410-E416 WeakPolarHBondContact O-CG 3.38Å; W412-E416 WeakPolarHBondContact CA-OE1 3.2Å; W412-E416 PolarHBondContact N-OE1 3.3Å; N413-E416 PolarHBondContact N-OE1 3.08Å; N413-E416 PolarHBondContact OD1-OE1 3.39Å; G414-E416 WeakPolarHBondContact CA-OE2 3.07Å; G414-E416 PolarHBondContact N-OE1 3.26Å; G414-E416 PolarHBondContact N-OE2 3.2Å; E416-D418 PolarHBondContact O-N 2.89Å; E416-W419 PolarHBondContact O-NE1 2.97Å; E416-S420 PolarHBondContact O-N 2.85Å; E416-S420 PolarHBondContact O-OG 3Å; E416-V431 HydrophobicContact CB-CG1 4.3Å; E416-V431 HydrophobicContact CB-CG2 4.28Å
417	R	62	Low	72.9	Confident	154 Å²	154	58.7 Å²	58.7	58%	0.581	30%	0.303	S	S	*	.	H	α-helix	trans	-63.4	-30.3	172.3	-68.9	-173	176.1	178.6	-0.9	112.5	Q415 S420 S421 V431	Q415-R417 PolarHBondContact O-N 2.63Å; Q415-R417 VanDerWaalsContact O-N 3.09Å; R417-S420 PolarHBondContact O-OG 3.28Å; R417-S421 WeakPolarHBondContact O-CB 3.09Å; R417-S421 PolarHBondContact O-N 3.46Å; R417-V431 HydrophobicContact CG-CB 3.98Å; R417-V431 HydrophobicContact CG-CG1 3.85Å; R417-V431 HydrophobicContact CG-CG2 3.79Å
418	D	62.5	Low	72.1	Confident	88 Å²	88	63.8 Å²	63.8	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-69	-51.9	-172.6	-62.9	-19.3	0	0	0	109.8	Q415 E416 S421 H422	Q415-D418 PolarHBondContact NE2-OD2 2.95Å; Q415-D418 WeakPolarHBondContact O-CB 3.44Å; Q415-D418 PolarHBondContact O-N 2.93Å; E416-D418 PolarHBondContact O-N 2.89Å; D418-S421 PolarHBondContact O-OG 3.22Å; D418-H422 PolarHBondContact O-CE1 2.78Å; D418-H422 PolarHBondContact O-ND1 3.03Å
419	W	69.9	Low	71.5	Confident	29 Å²	29	64 Å²	64	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-73	-43.1	-178.5	63.8	-86.2	0	0	0	112.6	D129 G134 L409 E416 S421 H422	D129-W419 HydrophobicContact CB-CD2 3.69Å; D129-W419 HydrophobicContact CB-CE3 3.17Å; D129-W419 HydrophobicContact CB-CG 4.32Å; D129-W419 HydrophobicContact CB-CH2 4.22Å; D129-W419 HydrophobicContact CB-CZ3 3.49Å; D129-W419 VanDerWaalsContact CB-CZ3 3.49Å; G134-W419 VanDerWaalsContact CA-O 3.28Å; G134-W419 WeakPolarHBondContact CA-O 3.21Å; G134-W419 WeakPolarHBondContact O-CZ3 2.88Å; L409-W419 HydrophobicContact CD1-CZ2 4.44Å; L409-W419 HydrophobicContact CD2-CH2 3.97Å; L409-W419 HydrophobicContact CD2-CZ2 4.29Å; E416-W419 PolarHBondContact O-NE1 2.97Å; W419-S421 PolarHBondContact O-N 3.27Å; W419-S421 VanDerWaalsContact O-N 3.11Å; W419-H422 WeakPolarHBondContact O-CB 3.22Å; W419-H422 PolarHBondContact O-N 3.26Å; W419-H422 PolarHBondContact O-ND1 3.28Å
420	S	66.1	Low	70.9	Confident	27 Å²	27	67.9 Å²	67.9	19%	0.189	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-24.2	-179.5	57.1	0	0	0	0	114.9	L409 E416 R417 H422 Y423	L409-S420 WeakPolarHBondContact CD1-OG 3.42Å; E416-S420 PolarHBondContact O-N 2.85Å; E416-S420 PolarHBondContact O-OG 3Å; R417-S420 PolarHBondContact O-OG 3.28Å; S420-H422 PolarHBondContact O-N 2.8Å; S420-Y423 PolarHBondContact O-N 3.3Å
421	S	62.7	Low	70.5	Confident	89 Å²	89	69.1 Å²	69.1	62%	0.622	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.5	174	73.4	0	0	0	0	114.3	R417 D418 W419	R417-S421 WeakPolarHBondContact O-CB 3.09Å; R417-S421 PolarHBondContact O-N 3.46Å; D418-S421 PolarHBondContact O-OG 3.22Å; W419-S421 PolarHBondContact O-N 3.27Å; W419-S421 VanDerWaalsContact O-N 3.11Å
422	H	63.9	Low	70.1	Confident	118 Å²	118	69.2 Å²	69.2	55%	0.546	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.6	179.8	-65.6	76.5	0	0	0	112.6	D418 W419 S420 Q424	D418-H422 PolarHBondContact O-CE1 2.78Å; D418-H422 PolarHBondContact O-ND1 3.03Å; W419-H422 WeakPolarHBondContact O-CB 3.22Å; W419-H422 PolarHBondContact O-N 3.26Å; W419-H422 PolarHBondContact O-ND1 3.28Å; S420-H422 PolarHBondContact O-N 2.8Å; H422-Q424 PolarHBondContact O-N 3.05Å
423	Y	66.3	Low	69.6	Low	38 Å²	38	73.6 Å²	73.6	15%	0.149	39%	0.394	C	S	.	.			trans	-73.3	120.8	178.8	-162.2	-131.3	0	0	0	110.4	V135 S420 H425 M427	V135-Y423 HydrophobicContact CG2-CD1 4.36Å; V135-Y423 HydrophobicContact CG2-CD2 3.24Å; V135-Y423 HydrophobicContact CG2-CE1 4.19Å; V135-Y423 HydrophobicContact CG2-CE2 3.03Å; V135-Y423 HydrophobicContact CG2-CG 3.95Å; S420-Y423 PolarHBondContact O-N 3.3Å; Y423-H425 HydrophobicContact CD1-CB 4.06Å; Y423-H425 WeakPolarHBondContact CD1-O 3.22Å; Y423-H425 HydrophobicContact CE1-CB 3.64Å; Y423-H425 PolarHBondContact O-N 3.32Å; Y423-H425 VanDerWaalsContact O-N 3.15Å; Y423-M427 HydrophobicContact CD1-CB 4.34Å; Y423-M427 HydrophobicContact CD1-CG 3.86Å; Y423-M427 HydrophobicContact CE1-CG 4.18Å
424	Q	55.4	Low	69.5	Low	184 Å²	184	72.4 Å²	72.4	86%	0.86	39%	0.386	S	S	*	.	S	Bend	trans	-68.1	-13.5	-177	-69.9	-175.1	-15.5	0	0	113.7	H422	H422-Q424 PolarHBondContact O-N 3.05Å
425	H	60.1	Low	69.9	Low	115 Å²	115	71 Å²	71	53%	0.532	37%	0.372	S	S	.	.	S	Bend	trans	-112.7	158.5	178.7	-61.7	-65.9	0	0	0	110.9	Y423 M427	Y423-H425 HydrophobicContact CD1-CB 4.06Å; Y423-H425 WeakPolarHBondContact CD1-O 3.22Å; Y423-H425 HydrophobicContact CE1-CB 3.64Å; Y423-H425 PolarHBondContact O-N 3.32Å; Y423-H425 VanDerWaalsContact O-N 3.15Å; H425-M427 PolarHBondContact O-N 2.92Å
426	S	56.2	Low	70.3	Confident	104 Å²	104	69.3 Å²	69.3	73%	0.727	38%	0.377	S	S	*	.			trans	-66.3	108	170.8	55.9	0	0	0	0	108.8
427	M	61.1	Low	70.8	Confident	31 Å²	31	73.7 Å²	73.7	15%	0.153	40%	0.404	C	S	.	.			trans	-60.5	138.8	164	-114.3	178.8	111.3	0	0	108.9	W123 P125 L409 Y423 H425 A429	W123-M427 HydrophobicContact CH2-CE 3.94Å; W123-M427 HydrophobicContact CZ3-CE 3.67Å; P125-M427 HydrophobicContact CB-CE 3.99Å; P125-M427 WeakPolarHBondContact O-CE 3.34Å; L409-M427 HydrophobicContact CD2-CE 3.34Å; L409-M427 HydrophobicContact CD2-SD 3.99Å; Y423-M427 HydrophobicContact CD1-CB 4.34Å; Y423-M427 HydrophobicContact CD1-CG 3.86Å; Y423-M427 HydrophobicContact CE1-CG 4.18Å; H425-M427 PolarHBondContact O-N 2.92Å; M427-A429 HydrophobicContact CE-CB 4.44Å; M427-A429 PolarHBondContact O-N 2.74Å
428	E	63.2	Low	72	Confident	124 Å²	124	68.3 Å²	68.3	58%	0.579	39%	0.386	S	S	*	.	S	Bend	trans	-65.4	-22.1	175.8	-70.9	-178.6	173.9	0	0	112.1	G168	G168-E428 WeakPolarHBondContact CA-OE1 3.41Å; G168-E428 WeakPolarHBondContact CA-OE2 3.32Å; G168-E428 PolarHBondContact N-OE1 3.34Å
429	A	73.1	Confident	73.4	Confident	8 Å²	8	64.8 Å²	64.8	7%	0.066	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-93.3	138.1	176.7	0	0	0	0	0	112.3	W123 V407 L409 M427	W123-A429 HydrophobicContact CE3-CB 4.29Å; W123-A429 HydrophobicContact CH2-CB 3.84Å; W123-A429 HydrophobicContact CZ3-CB 3.35Å; V407-A429 HydrophobicContact CG1-CB 4.15Å; L409-A429 HydrophobicContact CD2-CB 3.93Å; L409-A429 HydrophobicContact CG-CB 4.34Å; M427-A429 HydrophobicContact CE-CB 4.44Å; M427-A429 PolarHBondContact O-N 2.74Å
430	S	76.2	Confident	74.6	Confident	82 Å²	82	63.7 Å²	63.7	57%	0.573	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-102.6	153.3	172.8	58	0	0	0	0	111.2	H408 L409 S432	H408-S430 CarbonylContact C-O 3.6Å; H408-S430 VanDerWaalsContact CA-O 3.29Å; H408-S430 WeakPolarHBondContact CA-O 3.41Å; H408-S430 WeakPolarHBondContact CB-O 3.48Å; L409-S430 PolarHBondContact N-O 3Å; S430-S432 PolarHBondContact O-N 3.03Å
431	V	81.8	Confident	75.9	Confident	26 Å²	26	66.3 Å²	66.3	16%	0.158	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.9	122.4	168.9	-176	0	0	0	0	108.6	L409 E416 R417 C435	L409-V431 HydrophobicContact CB-CG2 4.31Å; L409-V431 HydrophobicContact CD1-CG2 3.54Å; L409-V431 HydrophobicContact CG-CG2 4.28Å; E416-V431 HydrophobicContact CB-CG1 4.3Å; E416-V431 HydrophobicContact CB-CG2 4.28Å; R417-V431 HydrophobicContact CG-CB 3.98Å; R417-V431 HydrophobicContact CG-CG1 3.85Å; R417-V431 HydrophobicContact CG-CG2 3.79Å; V431-C435 HydrophobicContact CG1-CB 4.16Å
432	S	83.9	Confident	77.3	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.021	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-60.3	131.7	173.7	178.4	0	0	0	0	110.2	V402 S430 E434 C435	V402-S432 WeakPolarHBondContact CG1-OG 3.18Å; S430-S432 PolarHBondContact O-N 3.03Å; S432-E434 PolarHBondContact O-N 2.83Å; S432-E434 VanDerWaalsContact O-N 3.08Å; S432-E434 WeakPolarHBondContact OG-CB 3.12Å; S432-E434 PolarHBondContact OG-N 2.76Å; S432-C435 WeakPolarHBondContact O-CB 3.39Å; S432-C435 PolarHBondContact O-N 2.83Å; S432-C435 PolarHBondContact O-SG 2.81Å
433	P	83.1	Confident	78.8	Confident	108 Å²	108	58.9 Å²	58.9	70%	0.701	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-54.8	-26.2	170.8	-24.1	34	0	0	0	112.5	C435	P433-C435 VanDerWaalsContact C-N 3.29Å; P433-C435 PolarHBondContact O-N 3.49Å
434	E	86.2	Confident	80.1	Confident	45 Å²	45	59.5 Å²	59.5	21%	0.21	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-72.1	-18.2	178.7	-57.7	-169.4	156.3	0	0	113.2	R375 V402 T403 S432 A436 T437 Q438	R375-E434 IonicContact NH2-OE1 3.81Å; R375-E434 PolarHBondContact NH2-OE1 3.29Å; R375-E434 IonicContact NH2-OE2 3.4Å; R375-E434 PolarHBondContact NH2-OE2 2.94Å; V402-E434 WeakPolarHBondContact CA-OE2 3.4Å; T403-E434 PolarHBondContact N-OE2 3.01Å; T403-E434 VanDerWaalsContact OG1-CD 3.32Å; T403-E434 PolarHBondContact OG1-OE1 3.12Å; S432-E434 PolarHBondContact O-N 2.83Å; S432-E434 VanDerWaalsContact O-N 3.08Å; S432-E434 WeakPolarHBondContact OG-CB 3.12Å; S432-E434 PolarHBondContact OG-N 2.76Å; E434-A436 PolarHBondContact O-N 2.99Å; E434-T437 CarbonylContact O-C 3.6Å; E434-T437 PolarHBondContact O-N 2.63Å; E434-T437 PolarHBondContact O-OG1 2.93Å; E434-Q438 HydrophobicContact CB-CB 4.12Å; E434-Q438 HydrophobicContact CB-CG 3.99Å; E434-Q438 PolarHBondContact O-N 3.27Å
435	C	86.2	Confident	81.8	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-55.9	-27.4	-176.3	-71	0	0	0	0	113.4	C411 V431 S432 P433 T437 N439	C411-C435 HydrophobicContact CB-CB 3.58Å; C411-C435 WeakPolarHBondContact CB-SG 3.13Å; C411-C435 WeakPolarHBondContact SG-CA 3.45Å; C411-C435 WeakPolarHBondContact SG-CB 3.49Å; C411-C435 CovalentContact SG-SG 2.03Å; C411-C435 PolarHBondContact SG-SG 3.02Å; V431-C435 HydrophobicContact CG1-CB 4.16Å; S432-C435 WeakPolarHBondContact O-CB 3.39Å; S432-C435 PolarHBondContact O-N 2.83Å; S432-C435 PolarHBondContact O-SG 2.81Å; P433-C435 VanDerWaalsContact C-N 3.29Å; P433-C435 PolarHBondContact O-N 3.49Å; C435-T437 PolarHBondContact O-N 3Å; C435-N439 WeakPolarHBondContact O-CB 3.43Å; C435-N439 PolarHBondContact O-ND2 3.18Å
436	A	83.4	Confident	83.4	Confident	79 Å²	79	53.9 Å²	53.9	65%	0.653	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.1	-28.6	175.2	0	0	0	0	0	113.2	E434	E434-A436 PolarHBondContact O-N 2.99Å
437	T	84.3	Confident	85.2	Confident	94 Å²	94	56.4 Å²	56.4	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-28.8	-176.1	63.6	0	0	0	0	113.7	E434 C435	E434-T437 CarbonylContact O-C 3.6Å; E434-T437 PolarHBondContact O-N 2.63Å; E434-T437 PolarHBondContact O-OG1 2.93Å; C435-T437 PolarHBondContact O-N 3Å
438	Q	85.9	Confident	86.7	Confident	41 Å²	41	59.1 Å²	59.1	19%	0.192	35%	0.352	C	S	.	.	S	Bend	trans	-111.4	50.2	-176.5	-56.2	-58	-41.4	0	0	110.7	V402 E434	V402-Q438 HydrophobicContact CG2-CB 4.32Å; E434-Q438 HydrophobicContact CB-CB 4.12Å; E434-Q438 HydrophobicContact CB-CG 3.99Å; E434-Q438 PolarHBondContact O-N 3.27Å
439	N	92.4	Very high	88.1	Confident	13 Å²	13	54 Å²	54	7%	0.07	33%	0.33	C	S	.	.			trans	-98.7	159.6	172.5	59.6	73.4	0	0	0	112.3	C411 C435 E441 A442 Q443	C411-N439 HydrophobicContact CB-CB 4.02Å; C411-N439 CarbonylContact O-C 3.3Å; C411-N439 VanDerWaalsContact O-CA 3.23Å; C411-N439 WeakPolarHBondContact O-CA 3.09Å; C411-N439 WeakPolarHBondContact O-CB 3.45Å; C435-N439 WeakPolarHBondContact O-CB 3.43Å; C435-N439 PolarHBondContact O-ND2 3.18Å; N439-E441 PolarHBondContact O-N 3.49Å; N439-E441 PolarHBondContact OD1-N 3.15Å; N439-A442 PolarHBondContact O-N 2.68Å; N439-A442 WeakPolarHBondContact OD1-CB 3.38Å; N439-A442 PolarHBondContact OD1-N 3.3Å; N439-Q443 WeakPolarHBondContact O-CG 3.05Å; N439-Q443 PolarHBondContact O-N 2.89Å
440	F	94.8	Very high	89	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-46.7	-177.7	-174.2	-88.7	0	0	0	112.6	E147 I151 L400 M410 C411 W412 L444 L451	E147-F440 HydrophobicContact CB-CE1 3.84Å; E147-F440 HydrophobicContact CB-CZ 3.77Å; E147-F440 HydrophobicContact CG-CE1 3.93Å; E147-F440 HydrophobicContact CG-CZ 4.37Å; I151-F440 HydrophobicContact CD1-CE2 4.21Å; I151-F440 HydrophobicContact CG2-CE2 3.87Å; I151-F440 HydrophobicContact CG2-CZ 3.77Å; L400-F440 HydrophobicContact CD2-CB 4.13Å; L400-F440 HydrophobicContact CD2-CD2 4.18Å; M410-F440 HydrophobicContact CE-CD2 4.22Å; C411-F440 PolarHBondContact O-N 2.98Å; W412-F440 HydrophobicContact CE3-CB 4.07Å; W412-F440 AromaticContact CE3-CD1 3.96Å; W412-F440 HydrophobicContact CE3-CD1 3.96Å; W412-F440 AromaticContact CE3-CG 3.95Å; W412-F440 HydrophobicContact CE3-CG 3.95Å; W412-F440 AromaticContact CZ3-CD1 3.92Å; W412-F440 HydrophobicContact CZ3-CD1 3.92Å; W412-F440 HydrophobicContact CZ3-CD2 4.13Å; W412-F440 HydrophobicContact CZ3-CE1 4.09Å; W412-F440 HydrophobicContact CZ3-CE2 4.3Å; W412-F440 AromaticContact CZ3-CG 3.94Å; W412-F440 HydrophobicContact CZ3-CG 3.94Å; W412-F440 HydrophobicContact CZ3-CZ 4.3Å; W412-F440 PolarHBondContact O-N 3.22Å; F440-L444 VanDerWaalsContact O-CB 3.22Å; F440-L444 WeakPolarHBondContact O-CB 3.31Å; F440-L444 PolarHBondContact O-N 3.02Å; F440-L451 HydrophobicContact CD2-CD1 4.22Å; F440-L451 HydrophobicContact CD2-CD2 3.74Å; F440-L451 HydrophobicContact CE2-CD1 4.05Å; F440-L451 HydrophobicContact CE2-CD2 3.85Å; F440-L451 HydrophobicContact CG-CD2 4.13Å; F440-L451 HydrophobicContact CZ-CD2 4.35Å
441	E	93.3	Very high	89.9	Confident	82 Å²	82	50.3 Å²	50.3	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-44.3	-177.9	-172.3	175.8	172.7	0	0	112.5	W412 N439 L444 K445	W412-E441 PolarHBondContact O-N 2.86Å; N439-E441 PolarHBondContact O-N 3.49Å; N439-E441 PolarHBondContact OD1-N 3.15Å; E441-L444 PolarHBondContact O-N 2.75Å; E441-K445 HydrophobicContact CG-CD 4.43Å; E441-K445 WeakPolarHBondContact O-CG 3.21Å; E441-K445 PolarHBondContact O-N 3.02Å; E441-K445 WeakPolarHBondContact OE1-CE 3.36Å; E441-K445 IonicContact OE1-NZ 3.48Å; E441-K445 PolarHBondContact OE1-NZ 3.48Å
442	A	93	Very high	90.5	Very high	43 Å²	43	52.4 Å²	52.4	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-47.5	178	0	0	0	0	0	111.6	N439 L444 K445 A446	N439-A442 PolarHBondContact O-N 2.68Å; N439-A442 WeakPolarHBondContact OD1-CB 3.38Å; N439-A442 PolarHBondContact OD1-N 3.3Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 3.04Å; A442-K445 PolarHBondContact O-N 3.25Å; A442-A446 PolarHBondContact O-N 2.8Å
443	Q	94.7	Very high	90.9	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-32.6	179.8	-72.3	-161.1	32.4	0	0	112.8	L400 N439 K445 S449 L451	L400-Q443 PolarHBondContact O-NE2 3.39Å; N439-Q443 WeakPolarHBondContact O-CG 3.05Å; N439-Q443 PolarHBondContact O-N 2.89Å; Q443-K445 VanDerWaalsContact C-N 3.35Å; Q443-S449 VanDerWaalsContact O-CB 3.27Å; Q443-S449 WeakPolarHBondContact O-CB 2.96Å; Q443-S449 PolarHBondContact O-OG 3.09Å; Q443-L451 HydrophobicContact CB-CB 3.79Å; Q443-L451 HydrophobicContact CB-CD2 4.14Å
444	L	93.1	Very high	91.4	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-40	175.5	-176	84.7	0	0	0	111.9	F440 E441 A442 L451 K452	F440-L444 VanDerWaalsContact O-CB 3.22Å; F440-L444 WeakPolarHBondContact O-CB 3.31Å; F440-L444 PolarHBondContact O-N 3.02Å; E441-L444 PolarHBondContact O-N 2.75Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 3.04Å; L444-L451 HydrophobicContact CB-CD2 4.16Å; L444-L451 HydrophobicContact CD1-CD2 4.49Å; L444-K452 WeakPolarHBondContact O-CE 3.34Å
445	K	92.6	Very high	91.8	Very high	142 Å²	142	47.7 Å²	47.7	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-76.4	-32.7	-179.4	-70	176	-172.5	171.7	0	112.9	E441 A442 Q443	E441-K445 HydrophobicContact CG-CD 4.43Å; E441-K445 WeakPolarHBondContact O-CG 3.21Å; E441-K445 PolarHBondContact O-N 3.02Å; E441-K445 WeakPolarHBondContact OE1-CE 3.36Å; E441-K445 IonicContact OE1-NZ 3.48Å; E441-K445 PolarHBondContact OE1-NZ 3.48Å; A442-K445 PolarHBondContact O-N 3.25Å; Q443-K445 VanDerWaalsContact C-N 3.35Å
446	A	93.8	Very high	92.1	Very high	40 Å²	40	53.2 Å²	53.2	33%	0.331	31%	0.307	S	S	.	.	S	Bend	trans	-59.3	143.3	-179.8	0	0	0	0	0	112.3	A442 A448 K452	A442-A446 PolarHBondContact O-N 2.8Å; A446-A448 PolarHBondContact O-N 3.38Å; A446-K452 VanDerWaalsContact O-CD 3.28Å; A446-K452 WeakPolarHBondContact O-CD 3.46Å; A446-K452 WeakPolarHBondContact O-CE 3.44Å; A446-K452 PolarHBondContact O-NZ 2.97Å
447	D	93.2	Very high	92.5	Very high	156 Å²	156	50.5 Å²	50.5	83%	0.834	28%	0.281	S	S	*	.	S	Bend	trans	-59.9	-42.6	-177.5	-72.8	-34.5	0	0	0	113.3	K452	D447-K452 VanDerWaalsContact O-CD 3.24Å; D447-K452 WeakPolarHBondContact O-CD 3.14Å; D447-K452 PolarHBondContact O-NZ 3.43Å
448	A	92.2	Very high	92.9	Very high	88 Å²	88	46 Å²	46	73%	0.727	25%	0.254	S	S	*	.	S	Bend	trans	-130.7	134.6	171.4	0	0	0	0	0	109.3	A446	A446-A448 PolarHBondContact O-N 3.38Å
449	S	93.2	Very high	93.1	Very high	18 Å²	18	47 Å²	47	13%	0.126	26%	0.258	C	S	.	.			trans	-157.5	162.4	-179.4	63.7	0	0	0	0	110.4	Q443 L451 K452 V453	Q443-S449 VanDerWaalsContact O-CB 3.27Å; Q443-S449 WeakPolarHBondContact O-CB 2.96Å; Q443-S449 PolarHBondContact O-OG 3.09Å; S449-L451 VanDerWaalsContact C-N 3.28Å; S449-L451 PolarHBondContact O-N 3.27Å; S449-K452 PolarHBondContact O-N 3.29Å; S449-K452 VanDerWaalsContact O-N 3.11Å; S449-K452 WeakPolarHBondContact OG-CG 3.29Å; S449-K452 PolarHBondContact OG-N 3.02Å; S449-K452 VanDerWaalsContact OG-N 3.16Å; S449-V453 PolarHBondContact O-N 3.18Å; S449-V453 VanDerWaalsContact O-N 3.1Å
450	Y	92.5	Very high	93	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-44.6	175.4	-163	-76.1	0	0	0	110.8	R375 E379 L382 E398 E399 K452 V453 F454	R375-Y450 HydrophobicContact CG-CD2 3.73Å; R375-Y450 HydrophobicContact CG-CE2 3.94Å; E379-Y450 HydrophobicContact CB-CD2 3.98Å; E379-Y450 HydrophobicContact CB-CE2 3.53Å; E379-Y450 HydrophobicContact CG-CD2 4.19Å; E379-Y450 HydrophobicContact CG-CE2 4.07Å; L382-Y450 HydrophobicContact CD2-CE1 3.57Å; E398-Y450 WeakPolarHBondContact O-CE1 3.43Å; E399-Y450 WeakPolarHBondContact O-CD1 3.48Å; Y450-K452 VanDerWaalsContact C-N 3.33Å; Y450-K452 PolarHBondContact O-N 3.4Å; Y450-V453 PolarHBondContact O-N 3.13Å; Y450-F454 PolarHBondContact O-N 3.12Å
451	L	94.7	Very high	92.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-38.1	175.4	-175	62.8	0	0	0	113.5	I151 E399 L400 F440 Q443 L444 S449 T455	I151-L451 HydrophobicContact CD1-CD1 4.38Å; I151-L451 HydrophobicContact CG2-CD1 4.08Å; I151-L451 HydrophobicContact CG2-CG 4.48Å; E399-L451 HydrophobicContact CB-CD1 3.99Å; E399-L451 HydrophobicContact CG-CD1 3.61Å; E399-L451 VanDerWaalsContact O-CA 3.24Å; E399-L451 WeakPolarHBondContact O-CA 3.32Å; E399-L451 PolarHBondContact O-N 2.92Å; L400-L451 HydrophobicContact CD2-CB 4.4Å; L400-L451 HydrophobicContact CD2-CD1 4.22Å; L400-L451 HydrophobicContact CD2-CD2 4.22Å; F440-L451 HydrophobicContact CD2-CD1 4.22Å; F440-L451 HydrophobicContact CD2-CD2 3.74Å; F440-L451 HydrophobicContact CE2-CD1 4.05Å; F440-L451 HydrophobicContact CE2-CD2 3.85Å; F440-L451 HydrophobicContact CG-CD2 4.13Å; F440-L451 HydrophobicContact CZ-CD2 4.35Å; Q443-L451 HydrophobicContact CB-CB 3.79Å; Q443-L451 HydrophobicContact CB-CD2 4.14Å; L444-L451 HydrophobicContact CB-CD2 4.16Å; L444-L451 HydrophobicContact CD1-CD2 4.49Å; S449-L451 VanDerWaalsContact C-N 3.28Å; S449-L451 PolarHBondContact O-N 3.27Å; L451-T455 VanDerWaalsContact O-CB 3.29Å; L451-T455 WeakPolarHBondContact O-CB 3.41Å; L451-T455 PolarHBondContact O-N 3.4Å; L451-T455 PolarHBondContact O-OG1 2.94Å
452	K	93.9	Very high	92.2	Very high	70 Å²	70	47.9 Å²	47.9	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-67.5	-41.6	176.5	-82.9	-175.3	167.8	-178.2	0	111.6	L444 A446 D447 S449 Y450 T455 Q456	L444-K452 WeakPolarHBondContact O-CE 3.34Å; A446-K452 VanDerWaalsContact O-CD 3.28Å; A446-K452 WeakPolarHBondContact O-CD 3.46Å; A446-K452 WeakPolarHBondContact O-CE 3.44Å; A446-K452 PolarHBondContact O-NZ 2.97Å; D447-K452 VanDerWaalsContact O-CD 3.24Å; D447-K452 WeakPolarHBondContact O-CD 3.14Å; D447-K452 PolarHBondContact O-NZ 3.43Å; S449-K452 PolarHBondContact O-N 3.29Å; S449-K452 VanDerWaalsContact O-N 3.11Å; S449-K452 WeakPolarHBondContact OG-CG 3.29Å; S449-K452 PolarHBondContact OG-N 3.02Å; S449-K452 VanDerWaalsContact OG-N 3.16Å; Y450-K452 VanDerWaalsContact C-N 3.33Å; Y450-K452 PolarHBondContact O-N 3.4Å; K452-T455 PolarHBondContact O-N 3.07Å; K452-Q456 WeakPolarHBondContact O-CG 3.34Å; K452-Q456 PolarHBondContact O-N 3.3Å
453	V	92.6	Very high	91.9	Very high	44 Å²	44	55.2 Å²	55.2	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-50.2	174.6	175.7	0	0	0	0	110	E379 S449 Y450 T455 Q456 L457	E379-V453 HydrophobicContact CG-CG1 4.08Å; S449-V453 PolarHBondContact O-N 3.18Å; S449-V453 VanDerWaalsContact O-N 3.1Å; Y450-V453 PolarHBondContact O-N 3.13Å; V453-T455 VanDerWaalsContact C-N 3.31Å; V453-T455 PolarHBondContact O-N 3.32Å; V453-Q456 PolarHBondContact O-N 3.27Å; V453-L457 HydrophobicContact CG1-CD1 3.96Å; V453-L457 HydrophobicContact CG1-CG 4.5Å; V453-L457 WeakPolarHBondContact O-CG 3.43Å; V453-L457 PolarHBondContact O-N 3.48Å
454	F	93.8	Very high	91.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-52.3	-49.5	173.9	176.9	-85.2	0	0	0	111.7	L118 I151 I153 L382 M386 L394 E399 Y450 Q456 L457 A458	L118-F454 HydrophobicContact CD1-CZ 4.4Å; I151-F454 HydrophobicContact CD1-CD1 4.42Å; I151-F454 HydrophobicContact CD1-CE1 4.01Å; I153-F454 HydrophobicContact CD1-CE1 3.86Å; I153-F454 HydrophobicContact CD1-CZ 3.64Å; L382-F454 HydrophobicContact CD2-CD2 3.95Å; M386-F454 HydrophobicContact CE-CD2 3.78Å; M386-F454 HydrophobicContact CE-CE2 3.27Å; M386-F454 HydrophobicContact CE-CZ 3.99Å; L394-F454 HydrophobicContact CD1-CE2 3.65Å; L394-F454 HydrophobicContact CD1-CZ 3.74Å; L394-F454 HydrophobicContact CD2-CE2 4.35Å; L394-F454 HydrophobicContact CD2-CZ 4.36Å; E399-F454 HydrophobicContact CB-CB 4.26Å; E399-F454 HydrophobicContact CB-CD1 3.68Å; E399-F454 HydrophobicContact CB-CD2 3.73Å; E399-F454 HydrophobicContact CB-CE1 3.94Å; E399-F454 HydrophobicContact CB-CE2 3.97Å; E399-F454 HydrophobicContact CB-CG 3.61Å; E399-F454 HydrophobicContact CB-CZ 4.09Å; Y450-F454 PolarHBondContact O-N 3.12Å; F454-Q456 VanDerWaalsContact C-N 3.33Å; F454-Q456 PolarHBondContact O-N 2.93Å; F454-L457 PolarHBondContact O-N 3.04Å; F454-A458 HydrophobicContact CE1-CB 4.19Å; F454-A458 WeakPolarHBondContact O-CB 3.35Å; F454-A458 PolarHBondContact O-N 2.79Å
455	T	94.4	Very high	91.1	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-41.4	-177.9	-63.7	0	0	0	0	112.3	I151 L451 K452 V453 K459	I151-T455 WeakPolarHBondContact O-CA 3.26Å; L451-T455 VanDerWaalsContact O-CB 3.29Å; L451-T455 WeakPolarHBondContact O-CB 3.41Å; L451-T455 PolarHBondContact O-N 3.4Å; L451-T455 PolarHBondContact O-OG1 2.94Å; K452-T455 PolarHBondContact O-N 3.07Å; V453-T455 VanDerWaalsContact C-N 3.31Å; V453-T455 PolarHBondContact O-N 3.32Å; T455-K459 HydrophobicContact CG2-CD 4.06Å; T455-K459 WeakPolarHBondContact O-CB 3.48Å; T455-K459 VanDerWaalsContact O-CG 3.31Å; T455-K459 WeakPolarHBondContact O-CG 3.43Å; T455-K459 PolarHBondContact O-N 3.42Å; T455-K459 VanDerWaalsContact O-N 3.14Å
456	Q	92.6	Very high	90.6	Very high	118 Å²	118	49 Å²	49	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-67	-42.7	177.5	-67.6	-60.5	-18.8	0	0	111.1	K452 V453 F454 K459 L460	K452-Q456 WeakPolarHBondContact O-CG 3.34Å; K452-Q456 PolarHBondContact O-N 3.3Å; V453-Q456 PolarHBondContact O-N 3.27Å; F454-Q456 VanDerWaalsContact C-N 3.33Å; F454-Q456 PolarHBondContact O-N 2.93Å; Q456-K459 PolarHBondContact O-N 3.14Å; Q456-L460 WeakPolarHBondContact O-CB 3.47Å; Q456-L460 VanDerWaalsContact O-CG 3.25Å; Q456-L460 WeakPolarHBondContact O-CG 3.11Å; Q456-L460 PolarHBondContact O-N 3.26Å
457	L	90.7	Very high	90.1	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-44.2	178.1	-65.2	169.2	0	0	0	112.6	L383 M386 V453 F454 K459 L460 R461	L383-L457 HydrophobicContact CD2-CD1 3.28Å; L383-L457 HydrophobicContact CD2-CD2 3.36Å; L383-L457 HydrophobicContact CD2-CG 3.84Å; L383-L457 HydrophobicContact CG-CD1 3.73Å; M386-L457 HydrophobicContact CB-CB 4.33Å; M386-L457 HydrophobicContact CB-CD1 4.42Å; M386-L457 HydrophobicContact CG-CB 4.24Å; M386-L457 HydrophobicContact CG-CD1 4.3Å; V453-L457 HydrophobicContact CG1-CD1 3.96Å; V453-L457 HydrophobicContact CG1-CG 4.5Å; V453-L457 WeakPolarHBondContact O-CG 3.43Å; V453-L457 PolarHBondContact O-N 3.48Å; F454-L457 PolarHBondContact O-N 3.04Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.03Å; L457-L460 PolarHBondContact O-N 3.47Å; L457-R461 WeakPolarHBondContact O-CB 3.39Å; L457-R461 PolarHBondContact O-N 2.86Å
458	A	92.3	Very high	89.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-42.5	176.4	0	0	0	0	0	111.6	L118 I151 F454 D462	L118-A458 HydrophobicContact CD1-CB 3.61Å; I151-A458 WeakPolarHBondContact O-CB 3.24Å; F454-A458 HydrophobicContact CE1-CB 4.19Å; F454-A458 WeakPolarHBondContact O-CB 3.35Å; F454-A458 PolarHBondContact O-N 2.79Å; A458-D462 PolarHBondContact O-N 3.25Å
459	K	91.3	Very high	88.9	Confident	63 Å²	63	38.5 Å²	38.5	27%	0.274	18%	0.183	S	C	.	.	H	α-helix	trans	-70.2	-37.8	176.2	-72.9	173.4	-178.1	169	0	113.1	R150 T455 Q456 L457 D462 R463	R150-K459 WeakPolarHBondContact O-CE 3.43Å; R150-K459 PolarHBondContact O-NZ 3.1Å; T455-K459 HydrophobicContact CG2-CD 4.06Å; T455-K459 WeakPolarHBondContact O-CB 3.48Å; T455-K459 VanDerWaalsContact O-CG 3.31Å; T455-K459 WeakPolarHBondContact O-CG 3.43Å; T455-K459 PolarHBondContact O-N 3.42Å; T455-K459 VanDerWaalsContact O-N 3.14Å; Q456-K459 PolarHBondContact O-N 3.14Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.03Å; K459-D462 PolarHBondContact O-N 2.95Å; K459-R463 WeakPolarHBondContact O-CB 3.42Å; K459-R463 WeakPolarHBondContact O-CG 3.32Å; K459-R463 PolarHBondContact O-N 3.01Å
460	L	89.3	Confident	88.2	Confident	62 Å²	62	37.6 Å²	37.6	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-45.6	174.9	-77.6	170.3	0	0	0	110.7	Q456 L457 D462 R463 A464 F498	Q456-L460 WeakPolarHBondContact O-CB 3.47Å; Q456-L460 VanDerWaalsContact O-CG 3.25Å; Q456-L460 WeakPolarHBondContact O-CG 3.11Å; Q456-L460 PolarHBondContact O-N 3.26Å; L457-L460 PolarHBondContact O-N 3.47Å; L460-D462 PolarHBondContact O-N 3.38Å; L460-R463 PolarHBondContact O-N 3.31Å; L460-A464 WeakPolarHBondContact O-CB 3.44Å; L460-A464 PolarHBondContact O-N 3.34Å; L460-F498 HydrophobicContact CD1-CE2 4.49Å; L460-F498 HydrophobicContact CD1-CZ 3.97Å
461	R	88.3	Confident	87.5	Confident	4 Å²	4	40 Å²	40	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-38.6	177.9	-172.5	180	-176.1	78.6	0.3	112.4	M386 L388 G390 L457 F467 L468	M386-R461 PolarHBondContact O-NH1 3.41Å; L388-R461 VanDerWaalsContact O-CZ 3.26Å; L388-R461 PolarHBondContact O-NH1 3.38Å; L388-R461 PolarHBondContact O-NH2 2.93Å; G390-R461 PolarHBondContact O-NH2 3.36Å; L457-R461 WeakPolarHBondContact O-CB 3.39Å; L457-R461 PolarHBondContact O-N 2.86Å; R461-F467 HydrophobicContact CB-CD1 4.41Å; R461-F467 HydrophobicContact CG-CB 4.3Å; R461-F467 HydrophobicContact CG-CD1 4.39Å; R461-L468 WeakPolarHBondContact O-CD2 3.4Å
462	D	84.8	Confident	86.7	Confident	53 Å²	53	41.1 Å²	41.1	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-73.3	-32.1	179.8	-173.9	28.9	0	0	0	113.8	R117 A458 K459 L460 L468	R117-D462 IonicContact CZ-OD1 3.9Å; R117-D462 IonicContact NH1-OD1 2.62Å; R117-D462 PolarHBondContact NH1-OD1 2.65Å; R117-D462 IonicContact NH1-OD2 2.55Å; R117-D462 PolarHBondContact NH1-OD2 3.34Å; R117-D462 IonicContact NH2-OD1 3.59Å; A458-D462 PolarHBondContact O-N 3.25Å; K459-D462 PolarHBondContact O-N 2.95Å; L460-D462 PolarHBondContact O-N 3.38Å; D462-L468 WeakPolarHBondContact O-CD1 3.29Å
463	R	85.9	Confident	85.9	Confident	197 Å²	197	41.3 Å²	41.3	74%	0.743	20%	0.197	S	C	*	.	H	α-helix	trans	-102.3	-33.5	-170.4	-65	174.3	-176.8	-171.1	-1.4	113.6	K459 L460	K459-R463 WeakPolarHBondContact O-CB 3.42Å; K459-R463 WeakPolarHBondContact O-CG 3.32Å; K459-R463 PolarHBondContact O-N 3.01Å; L460-R463 PolarHBondContact O-N 3.31Å
464	A	86.6	Confident	85	Confident	27 Å²	27	41.2 Å²	41.2	22%	0.223	19%	0.193	C	C	.	.			trans	-82.4	123.8	-171.4	0	0	0	0	0	111.3	L460 A466 F467 L468	L460-A464 WeakPolarHBondContact O-CB 3.44Å; L460-A464 PolarHBondContact O-N 3.34Å; A464-A466 PolarHBondContact O-N 2.96Å; A464-F467 HydrophobicContact CB-CD2 3.73Å; A464-F467 HydrophobicContact CB-CE2 4.47Å; A464-F467 PolarHBondContact O-N 2.67Å; A464-L468 PolarHBondContact O-N 2.8Å
465	E	83.3	Confident	84	Confident	41 Å²	41	43.6 Å²	43.6	19%	0.192	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-37.1	179	-164	-168.5	143.3	0	0	112.4	F467 L468 Y469 G470 S488 T490	E465-F467 PolarHBondContact O-N 2.82Å; E465-L468 PolarHBondContact O-N 3.26Å; E465-Y469 HydrophobicContact CG-CD2 3.65Å; E465-Y469 HydrophobicContact CG-CG 4.43Å; E465-Y469 WeakPolarHBondContact O-CA 3.47Å; E465-Y469 PolarHBondContact O-N 3.34Å; E465-G470 PolarHBondContact O-N 3.15Å; E465-G470 VanDerWaalsContact O-N 3.14Å; E465-S488 PolarHBondContact OE1-OG 2.76Å; E465-T490 WeakPolarHBondContact OE1-CB 3.28Å; E465-T490 WeakPolarHBondContact OE1-CG2 3.12Å; E465-T490 PolarHBondContact OE1-N 3.36Å; E465-T490 PolarHBondContact OE1-OG1 3.3Å; E465-T490 WeakPolarHBondContact OE2-CB 3.4Å; E465-T490 WeakPolarHBondContact OE2-CG2 3.49Å; E465-T490 PolarHBondContact OE2-OG1 3.44Å
466	A	83.2	Confident	83	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-34.2	176.9	0	0	0	0	0	112.4	A464 G470 R486	A464-A466 PolarHBondContact O-N 2.96Å; A466-G470 WeakPolarHBondContact O-CA 3.27Å; A466-G470 PolarHBondContact O-N 3.33Å; A466-G470 VanDerWaalsContact O-N 3.13Å; A466-R486 HydrophobicContact CB-CB 3.78Å; A466-R486 PolarHBondContact O-NE 2.93Å; A466-R486 VanDerWaalsContact O-NE 3.14Å; A466-R486 PolarHBondContact O-NH2 3.03Å
467	F	83.7	Confident	82.1	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-82.4	-40	176.5	-74.7	-100	0	0	0	112.3	M386 M387 R461 A464 E465 R486 F498	M386-F467 WeakPolarHBondContact O-CE1 3.45Å; M387-F467 HydrophobicContact CB-CE1 4.38Å; M387-F467 HydrophobicContact CG-CE1 3.91Å; M387-F467 HydrophobicContact CG-CZ 4.22Å; R461-F467 HydrophobicContact CB-CD1 4.41Å; R461-F467 HydrophobicContact CG-CB 4.3Å; R461-F467 HydrophobicContact CG-CD1 4.39Å; A464-F467 HydrophobicContact CB-CD2 3.73Å; A464-F467 HydrophobicContact CB-CE2 4.47Å; A464-F467 PolarHBondContact O-N 2.67Å; E465-F467 PolarHBondContact O-N 2.82Å; F467-R486 PolarHBondContact O-NH2 2.86Å; F467-F498 HydrophobicContact CE2-CD2 4.09Å; F467-F498 HydrophobicContact CE2-CE2 4.13Å; F467-F498 HydrophobicContact CZ-CD2 4.17Å; F467-F498 HydrophobicContact CZ-CE2 4.43Å
468	L	81.1	Confident	81.2	Confident	22 Å²	22	50.9 Å²	50.9	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-74.5	-31.8	-177.2	-72.1	-177.8	0	0	0	114.5	R111 K116 R461 D462 A464 E465	R111-L468 VanDerWaalsContact CD-O 3.31Å; R111-L468 WeakPolarHBondContact CD-O 3.47Å; R111-L468 PolarHBondContact NH1-O 3.18Å; K116-L468 HydrophobicContact CB-CD2 3.8Å; K116-L468 HydrophobicContact CD-CD2 3.99Å; K116-L468 HydrophobicContact CG-CD2 4.3Å; R461-L468 WeakPolarHBondContact O-CD2 3.4Å; D462-L468 WeakPolarHBondContact O-CD1 3.29Å; A464-L468 PolarHBondContact O-N 2.8Å; E465-L468 PolarHBondContact O-N 3.26Å
469	Y	79.5	Confident	80.2	Confident	31 Å²	31	60.4 Å²	60.4	12%	0.122	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-32.6	-169.2	-58.4	-68.5	0	0	0	113.1	K108 P109 R111 E465	K108-Y469 HydrophobicContact CB-CD1 4.47Å; K108-Y469 HydrophobicContact CB-CE1 4.17Å; K108-Y469 HydrophobicContact CD-CD2 4.45Å; K108-Y469 HydrophobicContact CD-CE2 3.94Å; K108-Y469 HydrophobicContact CG-CE2 4.43Å; P109-Y469 HydrophobicContact CG-CD1 3.86Å; P109-Y469 WeakPolarHBondContact O-CE1 3.46Å; R111-Y469 HydrophobicContact CB-CE1 4.23Å; R111-Y469 HydrophobicContact CG-CD1 4.35Å; R111-Y469 HydrophobicContact CG-CE1 4.15Å; R111-Y469 VanDerWaalsContact CZ-CA 3.47Å; R111-Y469 PolarHBondContact NH2-O 3.47Å; E465-Y469 HydrophobicContact CG-CD2 3.65Å; E465-Y469 HydrophobicContact CG-CG 4.43Å; E465-Y469 WeakPolarHBondContact O-CA 3.47Å; E465-Y469 PolarHBondContact O-N 3.34Å
470	G	77.7	Confident	79.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.4	154.4	-171.3	0	0	0	0	0	115.8	F354 E465 A466 R486 E487	F354-G470 WeakPolarHBondContact CZ-O 3.37Å; E465-G470 PolarHBondContact O-N 3.15Å; E465-G470 VanDerWaalsContact O-N 3.14Å; A466-G470 WeakPolarHBondContact O-CA 3.27Å; A466-G470 PolarHBondContact O-N 3.33Å; A466-G470 VanDerWaalsContact O-N 3.13Å; G470-R486 PolarHBondContact O-NE 3.15Å; G470-R486 PolarHBondContact O-NH2 2.74Å; G470-E487 CarbonylContact C-O 3.35Å; G470-E487 WeakPolarHBondContact CA-O 3.02Å
471	T	77.9	Confident	78.2	Confident	60 Å²	60	56 Å²	56	37%	0.368	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.3	175.8	45.9	0	0	0	0	110.7	R486 E487	T471-R486 WeakPolarHBondContact O-CA 3.48Å; T471-E487 PolarHBondContact N-O 2.85Å; T471-E487 PolarHBondContact O-N 3.15Å
472	M	77.6	Confident	77.4	Confident	24 Å²	24	56.8 Å²	56.8	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.6	172	-174.2	-173.7	178.6	0	0	109.9	L388 I484	L388-M472 HydrophobicContact CD2-CE 3.58Å; L388-M472 HydrophobicContact CD2-SD 3.55Å; L388-M472 VanDerWaalsContact CD2-SD 3.55Å; M472-I484 HydrophobicContact CE-CB 4.37Å; M472-I484 HydrophobicContact CE-CD1 3.91Å; M472-I484 HydrophobicContact CE-CG1 4.15Å; M472-I484 HydrophobicContact CE-CG2 3.35Å; M472-I484 HydrophobicContact CG-CG2 4.14Å
473	R	76.4	Confident	77.1	Confident	74 Å²	74	56.2 Å²	56.2	28%	0.279	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.6	173.5	-61.1	-67.1	-172	-170.5	3.1	108.7	I484 W485 E487	R473-I484 WeakPolarHBondContact O-CA 3.46Å; R473-W485 HydrophobicContact CB-CD2 3.62Å; R473-W485 HydrophobicContact CB-CE3 4.03Å; R473-W485 HydrophobicContact CB-CG 4.21Å; R473-W485 HydrophobicContact CB-CH2 3.76Å; R473-W485 HydrophobicContact CB-CZ2 3.31Å; R473-W485 HydrophobicContact CB-CZ3 4.1Å; R473-W485 HydrophobicContact CG-CZ2 3.9Å; R473-W485 PolarHBondContact N-O 2.89Å; R473-W485 PolarHBondContact O-N 2.6Å; R473-E487 HydrophobicContact CG-CG 4.32Å; R473-E487 IonicContact CZ-OE2 3.95Å; R473-E487 IonicContact NE-OE2 2.67Å; R473-E487 PolarHBondContact NE-OE2 3.39Å; R473-E487 VanDerWaalsContact NE-OE2 3.14Å; R473-E487 IonicContact NH2-OE2 3.82Å
474	F	74.2	Confident	76.7	Confident	42 Å²	42	47 Å²	47	18%	0.184	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.7	174.4	64.1	-88.7	0	0	0	110.1	Q343 I483 I484	Q343-F474 HydrophobicContact CB-CE1 3.66Å; Q343-F474 HydrophobicContact CB-CZ 3.69Å; Q343-F474 HydrophobicContact CG-CE1 3.95Å; Q343-F474 HydrophobicContact CG-CZ 4.19Å; Q343-F474 WeakPolarHBondContact O-CE2 3.4Å; Q343-F474 WeakPolarHBondContact O-CZ 3.22Å; F474-I483 CarbonylContact C-O 3.51Å; F474-I483 WeakPolarHBondContact CA-O 2.79Å; F474-I484 HydrophobicContact CB-CG1 4.4Å
475	S	73.4	Confident	76.5	Confident	50 Å²	50	48.3 Å²	48.3	35%	0.35	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	138.4	173.9	177.7	0	0	0	0	108.4	P477 I483	S475-P477 VanDerWaalsContact O-CD 3.31Å; S475-P477 WeakPolarHBondContact O-CD 3.41Å; S475-I483 PolarHBondContact N-O 2.78Å; S475-I483 PolarHBondContact O-N 3.23Å
476	S	74.2	Confident	76.5	Confident	70 Å²	70	46.6 Å²	46.6	49%	0.49	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	81	175.8	-174.2	0	0	0	0	109	K478 C481	S476-K478 PolarHBondContact O-N 2.83Å; S476-C481 WeakPolarHBondContact CA-O 3.37Å; S476-C481 PolarHBondContact OG-O 2.88Å
477	P	71.8	Confident	76.3	Confident	78 Å²	78	50 Å²	50	51%	0.506	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-19.9	-173.1	28.7	-36.6	0	0	0	113.2	S475 I483	S475-P477 VanDerWaalsContact O-CD 3.31Å; S475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-I483 HydrophobicContact CG-CD1 3.79Å; P477-I483 HydrophobicContact CG-CG1 4.22Å
478	K	73.6	Confident	76	Confident	159 Å²	159	50.7 Å²	50.7	69%	0.691	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.3	178.9	-66.2	-173	179.7	-178.9	0	109.4	S476 G480 C481	S476-K478 PolarHBondContact O-N 2.83Å; K478-G480 PolarHBondContact O-N 2.84Å; K478-C481 PolarHBondContact O-N 2.93Å
479	Q	69.8	Low	75.6	Confident	200 Å²	200	53.2 Å²	53.2	94%	0.935	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	131.7	169.1	-81	178.4	-18.5	0	0	110.5	C481	Q479-C481 VanDerWaalsContact C-N 3.34Å; Q479-C481 PolarHBondContact O-N 3.24Å
480	G	68.3	Low	75	Confident	15 Å²	15	54.1 Å²	54.1	16%	0.155	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-25.1	-176.8	0	0	0	0	0	115.2	K478 R502 C503 C504	K478-G480 PolarHBondContact O-N 2.84Å; G480-R502 VanDerWaalsContact O-O 3.09Å; G480-C503 CarbonylContact O-C 3.44Å; G480-C503 WeakPolarHBondContact O-CA 3.47Å; G480-C504 PolarHBondContact O-N 2.9Å
481	C	70.5	Confident	74	Confident	18 Å²	18	59 Å²	59	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.5	-175.9	-74	0	0	0	0	112.4	S476 K478 Q479 C503	S476-C481 WeakPolarHBondContact CA-O 3.37Å; S476-C481 PolarHBondContact OG-O 2.88Å; K478-C481 PolarHBondContact O-N 2.93Å; Q479-C481 VanDerWaalsContact C-N 3.34Å; Q479-C481 PolarHBondContact O-N 3.24Å; C481-C503 PolarHBondContact SG-SG 2.82Å
482	V	71.7	Confident	72.7	Confident	19 Å²	19	63.2 Å²	63.2	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.1	168.3	-170.4	0	0	0	0	109.4	L344 I484 L505	L344-V482 HydrophobicContact CD2-CG1 4.45Å; V482-I484 HydrophobicContact CG1-CD1 4.18Å; V482-I484 HydrophobicContact CG1-CG1 3.8Å; V482-L505 HydrophobicContact CG2-CD1 3.15Å; V482-L505 HydrophobicContact CG2-CD2 4.47Å; V482-L505 HydrophobicContact CG2-CG 3.68Å
483	I	78.8	Confident	70.9	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.1	168.1	-59.8	178	0	0	0	108.3	F474 S475 P477 W485 I499 F500	F474-I483 CarbonylContact C-O 3.51Å; F474-I483 WeakPolarHBondContact CA-O 2.79Å; S475-I483 PolarHBondContact N-O 2.78Å; S475-I483 PolarHBondContact O-N 3.23Å; P477-I483 HydrophobicContact CG-CD1 3.79Å; P477-I483 HydrophobicContact CG-CG1 4.22Å; I483-W485 HydrophobicContact CG2-CE3 3.91Å; I483-W485 HydrophobicContact CG2-CZ3 4.17Å; I483-I499 HydrophobicContact CD1-CG2 4.46Å; I483-I499 HydrophobicContact CG1-CG2 4.3Å; I483-I499 HydrophobicContact CG2-CG2 3.87Å; I483-F500 WeakPolarHBondContact CA-O 3.47Å
484	I	78.1	Confident	68.9	Low	4 Å²	4	68 Å²	68	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	176.2	-61.9	171.7	0	0	0	108.2	V384 M387 M472 R473 F474 V482	V384-I484 HydrophobicContact CB-CD1 4.23Å; V384-I484 HydrophobicContact CG1-CD1 3.65Å; V384-I484 HydrophobicContact CG2-CD1 3.88Å; M387-I484 HydrophobicContact CB-CG2 4.13Å; M387-I484 HydrophobicContact CE-CB 3.79Å; M387-I484 HydrophobicContact CE-CD1 3.93Å; M387-I484 HydrophobicContact CE-CG1 4.44Å; M387-I484 HydrophobicContact CE-CG2 3.78Å; M387-I484 HydrophobicContact SD-CB 4.19Å; M387-I484 HydrophobicContact SD-CG2 3.8Å; M472-I484 HydrophobicContact CE-CB 4.37Å; M472-I484 HydrophobicContact CE-CD1 3.91Å; M472-I484 HydrophobicContact CE-CG1 4.15Å; M472-I484 HydrophobicContact CE-CG2 3.35Å; M472-I484 HydrophobicContact CG-CG2 4.14Å; R473-I484 WeakPolarHBondContact O-CA 3.46Å; F474-I484 HydrophobicContact CB-CG1 4.4Å; V482-I484 HydrophobicContact CG1-CD1 4.18Å; V482-I484 HydrophobicContact CG1-CG1 3.8Å
485	W	82.6	Confident	67.3	Low	54 Å²	54	68.1 Å²	68.1	21%	0.205	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.7	171.7	69	100.9	0	0	0	111.9	R473 I483 E487 I496 F498	R473-W485 HydrophobicContact CB-CD2 3.62Å; R473-W485 HydrophobicContact CB-CE3 4.03Å; R473-W485 HydrophobicContact CB-CG 4.21Å; R473-W485 HydrophobicContact CB-CH2 3.76Å; R473-W485 HydrophobicContact CB-CZ2 3.31Å; R473-W485 HydrophobicContact CB-CZ3 4.1Å; R473-W485 HydrophobicContact CG-CZ2 3.9Å; R473-W485 PolarHBondContact N-O 2.89Å; R473-W485 PolarHBondContact O-N 2.6Å; I483-W485 HydrophobicContact CG2-CE3 3.91Å; I483-W485 HydrophobicContact CG2-CZ3 4.17Å; W485-E487 PolarHBondContact NE1-OE1 3.19Å; W485-I496 HydrophobicContact CB-CG2 4.15Å; W485-F498 WeakPolarHBondContact CB-O 3.42Å
486	R	81.9	Confident	65.9	Low	5 Å²	5	71.2 Å²	71.2	2%	0.019	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.2	176.8	-62.5	-63.6	-66.2	-87.9	-3	109.7	M387 A466 F467 G470 T471	M387-R486 WeakPolarHBondContact O-CD 3.29Å; M387-R486 PolarHBondContact O-NH1 3.39Å; A466-R486 HydrophobicContact CB-CB 3.78Å; A466-R486 PolarHBondContact O-NE 2.93Å; A466-R486 VanDerWaalsContact O-NE 3.14Å; A466-R486 PolarHBondContact O-NH2 3.03Å; F467-R486 PolarHBondContact O-NH2 2.86Å; G470-R486 PolarHBondContact O-NE 3.15Å; G470-R486 PolarHBondContact O-NH2 2.74Å; T471-R486 WeakPolarHBondContact O-CA 3.48Å
487	E	79	Confident	64.7	Low	73 Å²	73	72.3 Å²	72.3	34%	0.341	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.1	179.1	-66.9	173.4	167.5	0	0	109.7	G470 T471 R473 W485	G470-E487 CarbonylContact C-O 3.35Å; G470-E487 WeakPolarHBondContact CA-O 3.02Å; T471-E487 PolarHBondContact N-O 2.85Å; T471-E487 PolarHBondContact O-N 3.15Å; R473-E487 HydrophobicContact CG-CG 4.32Å; R473-E487 IonicContact CZ-OE2 3.95Å; R473-E487 IonicContact NE-OE2 2.67Å; R473-E487 PolarHBondContact NE-OE2 3.39Å; R473-E487 VanDerWaalsContact NE-OE2 3.14Å; R473-E487 IonicContact NH2-OE2 3.82Å; W485-E487 PolarHBondContact NE1-OE1 3.19Å
488	S	77.8	Confident	63.7	Low	24 Å²	24	73 Å²	73	17%	0.168	39%	0.39	C	S	.	.			trans	-71	154.7	177.4	-166.5	0	0	0	0	111.8	E465 T490	E465-S488 PolarHBondContact OE1-OG 2.76Å; S488-T490 PolarHBondContact OG-OG1 2.79Å; S488-T490 VanDerWaalsContact OG-OG1 3.04Å
489	I	72.2	Confident	62.2	Low	75 Å²	75	70.5 Å²	70.5	39%	0.385	38%	0.383	S	S	.	.	S	Bend	trans	-78.2	-34.4	175.1	-53.1	-179.5	0	0	0	110.4	P109	P109-I489 HydrophobicContact CG-CD1 4.08Å
490	T	66.6	Low	61	Low	51 Å²	51	63 Å²	63	31%	0.313	35%	0.347	S	S	.	.	S	Bend	trans	-77.1	-26.2	-177.3	46.8	0	0	0	0	116.1	P106 E465 S488	P106-T490 HydrophobicContact CG-CG2 3.24Å; E465-T490 WeakPolarHBondContact OE1-CB 3.28Å; E465-T490 WeakPolarHBondContact OE1-CG2 3.12Å; E465-T490 PolarHBondContact OE1-N 3.36Å; E465-T490 PolarHBondContact OE1-OG1 3.3Å; E465-T490 WeakPolarHBondContact OE2-CB 3.4Å; E465-T490 WeakPolarHBondContact OE2-CG2 3.49Å; E465-T490 PolarHBondContact OE2-OG1 3.44Å; S488-T490 PolarHBondContact OG-OG1 2.79Å; S488-T490 VanDerWaalsContact OG-OG1 3.04Å
491	M	58.3	Low	59.7	Low	103 Å²	103	66.7 Å²	66.7	51%	0.507	37%	0.367	S	S	.	.			trans	-108.9	94.8	-171.3	-60.8	-158.4	86.5	0	0	110.2	A493	M491-A493 PolarHBondContact O-N 2.96Å
492	T	49.4	Very low	58.5	Low	148 Å²	148	69.9 Å²	69.9	91%	0.908	38%	0.376	S	S	*	.	S	Bend	trans	-73.1	-3.1	177.8	48	0	0	0	0	114.2
493	A	40.1	Very low	56.7	Low	69 Å²	69	73.1 Å²	73.1	57%	0.57	40%	0.398	S	S	*	.	S	Bend	trans	-154.3	126.6	174.3	0	0	0	0	0	109.7	M491	M491-A493 PolarHBondContact O-N 2.96Å
494	V	34.5	Very low	54.9	Low	129 Å²	129	74.1 Å²	74.1	78%	0.782	41%	0.409	S	S	*	.			trans	70.4	83.3	167.6	-163.6	0	0	0	0	114.9
495	S	41	Very low	53.3	Low	44 Å²	44	76 Å²	76	31%	0.308	42%	0.419	S	S	.	.			trans	-167.7	83.8	141.8	-84.4	0	0	0	0	110.6	H497	S495-H497 VanDerWaalsContact C-N 3.32Å; S495-H497 WeakPolarHBondContact CB-CE1 3.36Å; S495-H497 VanDerWaalsContact CB-NE2 3.32Å; S495-H497 WeakPolarHBondContact CB-NE2 3.47Å; S495-H497 PolarHBondContact O-N 3.11Å; S495-H497 VanDerWaalsContact O-N 3.11Å; S495-H497 PolarHBondContact OG-CE1 3.31Å; S495-H497 VanDerWaalsContact OG-CE1 3.25Å
496	I	43.1	Very low	51.3	Low	115 Å²	115	80.5 Å²	80.5	59%	0.59	45%	0.446	S	S	*	.			trans	-70.9	95.9	157.5	-62	169.3	0	0	0	104.8	W485 I499	W485-I496 HydrophobicContact CB-CG2 4.15Å; I496-I499 HydrophobicContact CG2-CD1 4.43Å; I496-I499 HydrophobicContact CG2-CG1 3.76Å
497	H	50.1	Low	49.3	Very low	93 Å²	93	88.6 Å²	88.6	43%	0.431	48%	0.478	S	S	.	.			trans	-75.7	-24.6	-173.6	-81.1	-47.5	0	0	0	113.4	S495	S495-H497 VanDerWaalsContact C-N 3.32Å; S495-H497 WeakPolarHBondContact CB-CE1 3.36Å; S495-H497 VanDerWaalsContact CB-NE2 3.32Å; S495-H497 WeakPolarHBondContact CB-NE2 3.47Å; S495-H497 PolarHBondContact O-N 3.11Å; S495-H497 VanDerWaalsContact O-N 3.11Å; S495-H497 PolarHBondContact OG-CE1 3.31Å; S495-H497 VanDerWaalsContact OG-CE1 3.25Å
498	F	49.9	Very low	47.3	Very low	93 Å²	93	90.3 Å²	90.3	41%	0.408	49%	0.489	S	S	.	.			trans	-149.5	131	176.9	-68.6	-81.2	0	0	0	110.6	L460 F467 W485	L460-F498 HydrophobicContact CD1-CE2 4.49Å; L460-F498 HydrophobicContact CD1-CZ 3.97Å; F467-F498 HydrophobicContact CE2-CD2 4.09Å; F467-F498 HydrophobicContact CE2-CE2 4.13Å; F467-F498 HydrophobicContact CZ-CD2 4.17Å; F467-F498 HydrophobicContact CZ-CE2 4.43Å; W485-F498 WeakPolarHBondContact CB-O 3.42Å
499	I	41.6	Very low	45	Very low	107 Å²	107	98.1 Å²	98.1	55%	0.549	53%	0.529	S	S	.	.			trans	-106.6	109.4	162.2	-61.9	176.2	0	0	0	104.4	I483 I496 V501	I483-I499 HydrophobicContact CD1-CG2 4.46Å; I483-I499 HydrophobicContact CG1-CG2 4.3Å; I483-I499 HydrophobicContact CG2-CG2 3.87Å; I496-I499 HydrophobicContact CG2-CD1 4.43Å; I496-I499 HydrophobicContact CG2-CG1 3.76Å; I499-V501 HydrophobicContact CG2-CG2 3.5Å
500	F	45.3	Very low	43.7	Very low	41 Å²	41	99.3 Å²	99.3	18%	0.18	54%	0.536	C	S	.	.			trans	-80.7	125.3	162.6	-151.4	-113.9	0	0	0	107.9	A380 L383 V384 M387 I483 R502	A380-F500 HydrophobicContact CB-CE1 3.87Å; A380-F500 HydrophobicContact CB-CZ 3.7Å; L383-F500 HydrophobicContact CB-CE2 4.11Å; L383-F500 HydrophobicContact CB-CZ 4.24Å; L383-F500 HydrophobicContact CD1-CE2 3.61Å; L383-F500 HydrophobicContact CD1-CZ 3.93Å; L383-F500 HydrophobicContact CG-CE2 4.35Å; V384-F500 HydrophobicContact CG2-CD1 4.31Å; V384-F500 HydrophobicContact CG2-CE1 4.48Å; M387-F500 HydrophobicContact CE-CB 4.04Å; M387-F500 HydrophobicContact CE-CG 4.39Å; I483-F500 WeakPolarHBondContact CA-O 3.47Å; F500-R502 HydrophobicContact CD1-CB 3.93Å; F500-R502 HydrophobicContact CE1-CB 3.38Å; F500-R502 HydrophobicContact CE1-CG 4.31Å; F500-R502 HydrophobicContact CZ-CB 3.95Å
501	V	41.4	Very low	42.5	Very low	93 Å²	93	101.8 Å²	101.8	56%	0.564	55%	0.548	S	S	*	.			trans	-121.8	100.5	167.4	-177	0	0	0	0	105	I499	I499-V501 HydrophobicContact CG2-CG2 3.5Å
502	R	45.1	Very low	41.6	Very low	86 Å²	86	101.7 Å²	101.7	33%	0.325	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.2	126.6	169.6	-159.2	144.9	174.7	-172.8	-0.4	111.4	A376 A380 G480 F500 C504	A376-R502 VanDerWaalsContact CB-NH2 3.25Å; A376-R502 PolarHBondContact O-NH1 2.77Å; A376-R502 PolarHBondContact O-NH2 3.17Å; A380-R502 HydrophobicContact CB-CG 4.34Å; G480-R502 VanDerWaalsContact O-O 3.09Å; F500-R502 HydrophobicContact CD1-CB 3.93Å; F500-R502 HydrophobicContact CE1-CB 3.38Å; F500-R502 HydrophobicContact CE1-CG 4.31Å; F500-R502 HydrophobicContact CZ-CB 3.95Å; R502-C504 VanDerWaalsContact C-N 3.28Å; R502-C504 PolarHBondContact O-N 2.95Å
503	C	34.8	Very low	41.1	Very low	86 Å²	86	99 Å²	99	58%	0.581	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	44.7	-170.8	-68.5	0	0	0	0	114.8	G480 C481	G480-C503 CarbonylContact O-C 3.44Å; G480-C503 WeakPolarHBondContact O-CA 3.47Å; C481-C503 PolarHBondContact SG-SG 2.82Å
504	C	41.1	Very low	41.2	Very low	64 Å²	64	100.9 Å²	100.9	43%	0.432	53%	0.527	S	S	.	.			trans	-134.2	67.8	-172.5	-62.7	0	0	0	0	113.8	L377 G480 R502	L377-C504 HydrophobicContact CD1-CB 3.28Å; G480-C504 PolarHBondContact O-N 2.9Å; R502-C504 VanDerWaalsContact C-N 3.28Å; R502-C504 PolarHBondContact O-N 2.95Å
505	L	43.3	Very low	41.6	Very low	44 Å²	44	99 Å²	99	23%	0.23	51%	0.51	C	S	.	.			trans	-100.9	4.3	169.5	-101.7	176.8	0	0	0	114.6	V482 Y507 L508	V482-L505 HydrophobicContact CG2-CD1 3.15Å; V482-L505 HydrophobicContact CG2-CD2 4.47Å; V482-L505 HydrophobicContact CG2-CG 3.68Å; L505-Y507 PolarHBondContact O-N 3.32Å; L505-Y507 VanDerWaalsContact O-N 3.14Å; L505-L508 HydrophobicContact CD2-CB 4.1Å; L505-L508 HydrophobicContact CD2-CD1 3.67Å; L505-L508 HydrophobicContact CD2-CG 4.47Å
506	D	40.7	Very low	41.7	Very low	147 Å²	147	102.9 Å²	102.9	79%	0.786	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.4	-177.5	-72.8	-18	0	0	0	114.5
507	Y	40	Very low	41.6	Very low	175 Å²	175	102 Å²	102	69%	0.686	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	7.1	-176.4	-98.5	-88.4	0	0	0	115.5	L505	L505-Y507 PolarHBondContact O-N 3.32Å; L505-Y507 VanDerWaalsContact O-N 3.14Å
508	L	37.3	Very low	40.9	Very low	110 Å²	110	102.8 Å²	102.8	58%	0.576	53%	0.526	S	S	*	.			trans	-98	13.3	176.7	-85.1	165.9	0	0	0	114	L344 L505	L344-L508 HydrophobicContact CD1-CD1 4.08Å; L505-L508 HydrophobicContact CD2-CB 4.1Å; L505-L508 HydrophobicContact CD2-CD1 3.67Å; L505-L508 HydrophobicContact CD2-CG 4.47Å
509	N	29.7	Very low	40	Very low	187 Å²	187	103.6 Å²	103.6	100%	1	54%	0.537	S	S	*	.			trans	-98.4	0	162.7	-80.2	-31.7	0	0	0	109.8

Retrieved 509 of 509 residues in 679.9 ms (Link to these results)

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