A0A087Y2G6_POEFO Loading...

Complement C8 alpha chain

AlphaFold DB , UniProt , Accession A0A087Y2G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 591 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	49.6	Very low	47.5	Very low	250 Å²	250	118.6 Å²	118.6	100%	1.232	66%	0.663	S	S	*	*				0	55.1	0	-65.6	-177.3	-172.4	0	0	111.4
2	G	47	Very low	46.9	Very low	50 Å²	50	116.1 Å²	116.1	52%	0.515	66%	0.657	S	S	.	*			trans	-125.2	-13.2	-177.9	0	0	0	0	0	114.6
3	T	46	Very low	46.3	Very low	121 Å²	121	111.5 Å²	111.5	74%	0.742	64%	0.642	S	S	*	*	S	Bend	trans	-104.1	-14.4	-173	45.1	0	0	0	0	113.7
4	F	44.1	Very low	45.7	Very low	172 Å²	172	112.4 Å²	112.4	75%	0.754	64%	0.643	S	S	*	*	S	Bend	trans	-82.1	-27.3	179.5	-131.6	-96	0	0	0	113.2
5	N	45	Very low	45.1	Very low	128 Å²	128	118.8 Å²	118.8	68%	0.684	66%	0.655	S	S	*	*	H	α-helix	trans	-75	-23.7	-179.4	-110.6	2.4	0	0	0	113.7	V9	N5-V9 WeakPolarHBondContact O-CG2 3.25Å
6	H	44	Very low	44.5	Very low	145 Å²	145	120.2 Å²	120.2	67%	0.671	66%	0.66	S	S	*	*	H	α-helix	trans	-79.9	-23.2	179.3	-76	-61.6	0	0	0	113.5	A10	H6-A10 WeakPolarHBondContact O-CB 3.47Å; H6-A10 PolarHBondContact O-N 3.36Å
7	V	49.7	Very low	43.9	Very low	87 Å²	87	123.8 Å²	123.8	53%	0.527	67%	0.668	S	S	.	*	H	α-helix	trans	-77.9	-35.8	178.5	-179.6	0	0	0	0	111.2	L11	V7-L11 HydrophobicContact CG1-CD1 4.21Å; V7-L11 PolarHBondContact O-N 2.79Å
8	V	52.2	Low	43.4	Very low	82 Å²	82	125.1 Å²	125.1	50%	0.497	67%	0.673	S	S	.	*	H	α-helix	trans	-70.6	-39	179.2	-179.9	0	0	0	0	111.6	L11 C12	V8-L11 PolarHBondContact O-N 2.73Å; V8-C12 PolarHBondContact O-N 2.89Å
9	V	50.9	Low	42.9	Very low	103 Å²	103	125.8 Å²	125.8	62%	0.624	68%	0.677	S	S	*	*	H	α-helix	trans	-71.4	-33.2	178.3	178.8	0	0	0	0	111.9	N5 C12 A13	N5-V9 WeakPolarHBondContact O-CG2 3.25Å; V9-C12 PolarHBondContact O-N 2.91Å; V9-A13 PolarHBondContact O-N 3.3Å
10	A	47	Very low	42.5	Very low	56 Å²	56	124.7 Å²	124.7	46%	0.463	68%	0.676	S	S	.	*	H	α-helix	trans	-69.1	-33	176	0	0	0	0	0	112.9	H6 A13 L14	H6-A10 WeakPolarHBondContact O-CB 3.47Å; H6-A10 PolarHBondContact O-N 3.36Å; A10-A13 PolarHBondContact O-N 3.46Å; A10-L14 PolarHBondContact O-N 2.77Å
11	L	46.7	Very low	42	Very low	111 Å²	111	125 Å²	125	58%	0.581	68%	0.682	S	S	*	*	H	α-helix	trans	-73.8	-31	176.9	-82.8	159.6	0	0	0	113	V7 V8	V7-L11 HydrophobicContact CG1-CD1 4.21Å; V7-L11 PolarHBondContact O-N 2.79Å; V8-L11 PolarHBondContact O-N 2.73Å
12	C	40.3	Very low	41.1	Very low	88 Å²	88	119.1 Å²	119.1	60%	0.595	66%	0.66	S	S	*	*	H	α-helix	trans	-71.6	-30.1	172.9	-80.4	0	0	0	0	113.4	V8 V9	V8-C12 PolarHBondContact O-N 2.89Å; V9-C12 PolarHBondContact O-N 2.91Å
13	A	40	Very low	40.1	Very low	56 Å²	56	123.4 Å²	123.4	46%	0.463	67%	0.671	S	S	.	*	H	α-helix	trans	-75.7	-26.4	178.6	0	0	0	0	0	113.4	V9 A10	V9-A13 PolarHBondContact O-N 3.3Å; A10-A13 PolarHBondContact O-N 3.46Å
14	L	37	Very low	39.3	Very low	125 Å²	125	121.7 Å²	121.7	65%	0.654	67%	0.669	S	S	*	*	H	α-helix	trans	-80.7	-21.2	178.1	-101.3	145.9	0	0	0	113.6	A10 L16	A10-L14 PolarHBondContact O-N 2.77Å; L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 2.75Å
15	Y	37.6	Very low	38.5	Very low	208 Å²	208	118.8 Å²	118.8	82%	0.816	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-10.9	174.7	-108.7	-86.1	0	0	0	114.1
16	L	35.3	Very low	37.8	Very low	141 Å²	141	124.1 Å²	124.1	74%	0.738	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-2.2	178.3	-77.7	166	0	0	0	114.2	L14	L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 2.75Å
17	F	34.4	Very low	37	Very low	181 Å²	181	126 Å²	126	79%	0.794	68%	0.683	S	S	*	*	S	Bend	trans	-110.9	6.9	-176.4	-80.2	-74.5	0	0	0	116
18	I	35.3	Very low	35.8	Very low	148 Å²	148	127 Å²	127	76%	0.759	69%	0.69	S	S	*	*			trans	-111.5	75.3	173.8	-49.2	179.2	0	0	0	109.2	P20	I18-P20 WeakPolarHBondContact O-CD 3.38Å
19	N	33.5	Very low	34.7	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	71%	0.711	S	S	*	*			trans	-82.3	117.9	161.3	-94.3	-43.8	0	0	0	108.7	T21	N19-T21 PolarHBondContact O-N 2.85Å
20	P	35.1	Very low	33.5	Very low	102 Å²	102	135.3 Å²	135.3	66%	0.662	72%	0.715	S	S	*	*			trans	-77.8	114.7	151.1	29.4	-22.1	0	0	0	107.2	I18 V22	I18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-V22 PolarHBondContact O-N 2.85Å; P20-V22 VanDerWaalsContact O-N 3.13Å
21	T	31.8	Very low	33	Very low	132 Å²	132	138.9 Å²	138.9	81%	0.81	73%	0.731	S	S	*	*			trans	-4.1	101.2	158.7	51.6	0	0	0	0	114.7	N19 N23	N19-T21 PolarHBondContact O-N 2.85Å; T21-N23 PolarHBondContact O-N 3.33Å
22	V	29.8	Very low	32.1	Very low	127 Å²	127	137.1 Å²	137.1	77%	0.77	73%	0.728	S	S	*	*			trans	-66	102.7	163.8	177.5	0	0	0	0	106.8	P20 A24	P20-V22 PolarHBondContact O-N 2.85Å; P20-V22 VanDerWaalsContact O-N 3.13Å; V22-A24 VanDerWaalsContact C-N 3.25Å; V22-A24 PolarHBondContact O-N 3.43Å
23	N	27.2	Very low	32	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	74%	0.741	S	S	*	*			trans	-70.5	88	172.8	-151.8	2.9	0	0	0	107.7	T21 T25	T21-N23 PolarHBondContact O-N 3.33Å; N23-T25 PolarHBondContact O-N 3.01Å
24	A	28.8	Very low	31.6	Very low	84 Å²	84	144.2 Å²	144.2	69%	0.694	75%	0.751	S	S	*	*			trans	-70.9	73.8	174.4	0	0	0	0	0	109.7	V22 R26	V22-A24 VanDerWaalsContact C-N 3.25Å; V22-A24 PolarHBondContact O-N 3.43Å; A24-R26 PolarHBondContact O-N 3Å
25	T	27.2	Very low	31.6	Very low	112 Å²	112	148.9 Å²	148.9	69%	0.687	76%	0.76	S	S	*	*			trans	-71.2	91.3	158	42	0	0	0	0	107.2	N23 K27	N23-T25 PolarHBondContact O-N 3.01Å; T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.32Å
26	R	30.6	Very low	31.7	Very low	239 Å²	239	150.1 Å²	150.1	90%	0.902	76%	0.763	S	S	*	*			trans	-55.9	96.5	158.4	-81.9	-176.8	177.7	-166.5	-0.1	107	A24 P28	A24-R26 PolarHBondContact O-N 3Å; R26-P28 WeakPolarHBondContact O-CD 3.28Å
27	K	27.3	Very low	32	Very low	186 Å²	186	151.3 Å²	151.3	81%	0.809	77%	0.768	S	S	*	*			trans	-62	119.8	156.6	-80.3	-175	178.1	178.2	0	105.7	T25 W29	T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.32Å; K27-W29 PolarHBondContact O-N 3.25Å
28	P	24.1	Very low	32.7	Very low	106 Å²	106	149.5 Å²	149.5	69%	0.688	76%	0.756	S	S	*	*			trans	-58.2	136.8	177.5	23.7	-30.8	0	0	0	108.1	R26 T30	R26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-T30 VanDerWaalsContact C-N 3.25Å; P28-T30 PolarHBondContact O-N 2.02Å
29	W	28.5	Very low	33.9	Very low	243 Å²	243	144.4 Å²	144.4	92%	0.92	74%	0.736	S	S	*	*			trans	-56.4	94.9	166.1	-87.7	24.1	0	0	0	108.3	K27 T31	K27-W29 PolarHBondContact O-N 3.25Å; W29-T31 PolarHBondContact O-N 3.05Å
30	T	27	Very low	35	Very low	117 Å²	117	143 Å²	143	72%	0.718	74%	0.743	S	S	*	*			trans	-78.6	96.4	155.9	44.3	0	0	0	0	105.9	P28 S32	P28-T30 VanDerWaalsContact C-N 3.25Å; P28-T30 PolarHBondContact O-N 2.02Å; T30-S32 PolarHBondContact O-N 3.34Å
31	T	35	Very low	36.8	Very low	131 Å²	131	143.5 Å²	143.5	80%	0.804	74%	0.741	S	S	*	*			trans	-62.9	69	151.5	39.7	0	0	0	0	108.3	W29	W29-T31 PolarHBondContact O-N 3.05Å
32	S	29.2	Very low	39	Very low	74 Å²	74	138.2 Å²	138.2	52%	0.517	71%	0.709	S	S	.	*			trans	-105.8	83.3	153.5	170.6	0	0	0	0	104.2	T30 T34	T30-S32 PolarHBondContact O-N 3.34Å; S32-T34 PolarHBondContact O-N 3Å; S32-T34 PolarHBondContact OG-N 3.06Å
33	Q	38.3	Very low	41.7	Very low	183 Å²	183	133.5 Å²	133.5	86%	0.855	68%	0.681	S	S	*	*			trans	-58.5	85.1	145.1	-78.1	-175	-12.6	0	0	105.2	R35	Q33-R35 PolarHBondContact O-N 3.39Å
34	T	31.8	Very low	44.7	Very low	111 Å²	111	129.6 Å²	129.6	68%	0.681	67%	0.669	S	S	*	*			trans	-58.7	95.1	152.8	22.5	0	0	0	0	103.1	S32 R36	S32-T34 PolarHBondContact O-N 3Å; S32-T34 PolarHBondContact OG-N 3.06Å; T34-R36 PolarHBondContact O-N 2.82Å
35	R	36	Very low	47.7	Very low	223 Å²	223	127.8 Å²	127.8	84%	0.842	65%	0.65	S	S	*	*			trans	-48.5	101.7	156	-83.7	-177.4	179	179.1	-0.1	103.3	Q33 I37	Q33-R35 PolarHBondContact O-N 3.39Å; R35-I37 VanDerWaalsContact C-N 3.28Å; R35-I37 PolarHBondContact O-N 3.16Å
36	R	40	Very low	50.9	Low	234 Å²	234	123.5 Å²	123.5	88%	0.883	62%	0.623	S	S	*	*			trans	-53.1	109.8	162.8	-81.7	-174.8	175.5	-177.1	-1	103	T34 R38	T34-R36 PolarHBondContact O-N 2.82Å; R36-R38 VanDerWaalsContact C-N 3.3Å; R36-R38 PolarHBondContact O-N 2.8Å
37	I	40.8	Very low	53.9	Low	166 Å²	166	115.9 Å²	115.9	85%	0.851	60%	0.599	S	S	*	*			trans	-58.3	106.2	174.8	-62.6	173.3	0	0	0	103.2	R35 A39	R35-I37 VanDerWaalsContact C-N 3.28Å; R35-I37 PolarHBondContact O-N 3.16Å; I37-A39 PolarHBondContact O-N 3.04Å
38	R	49.7	Very low	57.1	Low	143 Å²	143	107.8 Å²	107.8	54%	0.54	57%	0.566	S	S	.	*			trans	-56.6	133.1	175.5	-98.2	-167.2	-149.6	146.6	19.8	106.8	R36 A40 S42	R36-R38 VanDerWaalsContact C-N 3.3Å; R36-R38 PolarHBondContact O-N 2.8Å; R38-A40 PolarHBondContact O-N 3.07Å; R38-S42 VanDerWaalsContact CB-OG 3.28Å; R38-S42 WeakPolarHBondContact CB-OG 3.37Å; R38-S42 WeakPolarHBondContact CD-OG 3.34Å; R38-S42 VanDerWaalsContact CG-OG 3.25Å; R38-S42 WeakPolarHBondContact CG-OG 3.2Å
39	A	59.5	Low	60.4	Low	41 Å²	41	110.5 Å²	110.5	34%	0.339	56%	0.563	S	S	.	*			trans	-53	136.3	162.4	0	0	0	0	0	107.3	I37 N41 S42 E537	I37-A39 PolarHBondContact O-N 3.04Å; A39-N41 PolarHBondContact O-N 3.26Å; A39-S42 WeakPolarHBondContact O-CB 3.4Å; A39-S42 PolarHBondContact O-N 2.76Å; A39-S42 PolarHBondContact O-OG 3.48Å; A39-E537 WeakPolarHBondContact CB-OE1 3.32Å
40	A	57.9	Low	63.4	Low	108 Å²	108	100.9 Å²	100.9	89%	0.893	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.6	-170.4	0	0	0	0	0	113.9	R38	R38-A40 PolarHBondContact O-N 3.07Å
41	N	72.3	Confident	66.5	Low	113 Å²	113	96 Å²	96	60%	0.604	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1	-179.8	-68.1	-17.1	0	0	0	114.7	A39	A39-N41 PolarHBondContact O-N 3.26Å
42	S	78.5	Confident	69.2	Low	22 Å²	22	101 Å²	101	15%	0.154	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-71.9	130.2	179.7	59.7	0	0	0	0	111.2	R38 A39 E536	R38-S42 VanDerWaalsContact CB-OG 3.28Å; R38-S42 WeakPolarHBondContact CB-OG 3.37Å; R38-S42 WeakPolarHBondContact CD-OG 3.34Å; R38-S42 VanDerWaalsContact CG-OG 3.25Å; R38-S42 WeakPolarHBondContact CG-OG 3.2Å; A39-S42 WeakPolarHBondContact O-CB 3.4Å; A39-S42 PolarHBondContact O-N 2.76Å; A39-S42 PolarHBondContact O-OG 3.48Å; S42-E536 WeakPolarHBondContact CA-OE1 3.15Å; S42-E536 WeakPolarHBondContact CB-OE1 3.43Å
43	P	86.9	Confident	72.3	Confident	27 Å²	27	101.1 Å²	101.1	18%	0.175	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-65.8	158.7	-178.6	23.8	-29.2	0	0	0	111.7	F78 V533 A534	P43-F78 HydrophobicContact CB-CD2 3.8Å; P43-F78 HydrophobicContact CB-CE2 4Å; P43-F78 HydrophobicContact CB-CG 4.31Å; P43-F78 HydrophobicContact CG-CB 4.32Å; P43-F78 HydrophobicContact CG-CD1 4.02Å; P43-F78 HydrophobicContact CG-CD2 3.68Å; P43-F78 HydrophobicContact CG-CE1 4.26Å; P43-F78 HydrophobicContact CG-CE2 3.91Å; P43-F78 HydrophobicContact CG-CG 3.74Å; P43-F78 HydrophobicContact CG-CZ 4.2Å; P43-V533 HydrophobicContact CG-CG2 4.28Å; P43-A534 HydrophobicContact CG-CB 3.45Å; P43-A534 VanDerWaalsContact CG-CB 3.45Å
44	A	89.1	Confident	74.8	Confident	59 Å²	59	94.4 Å²	94.4	49%	0.488	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-66.6	133.7	174.1	0	0	0	0	0	110.4	I46	A44-I46 PolarHBondContact O-N 2.9Å
45	P	92.9	Very high	77.6	Confident	46 Å²	46	93.8 Å²	93.8	30%	0.299	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-48	135	164.4	-25.9	34.2	0	0	0	109.7
46	I	93.4	Very high	80.1	Confident	22 Å²	22	87.3 Å²	87.3	11%	0.113	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-109.6	108.6	176.6	-65.5	173.5	0	0	0	105.4	A44 K74 P75 A76 Q77 F78 G80 A507	A44-I46 PolarHBondContact O-N 2.9Å; I46-K74 HydrophobicContact CG2-CD 3.46Å; I46-K74 VanDerWaalsContact CG2-CD 3.46Å; I46-K74 HydrophobicContact CG2-CG 3.69Å; I46-P75 VanDerWaalsContact CG2-O 3.3Å; I46-P75 WeakPolarHBondContact CG2-O 3.17Å; I46-A76 CarbonylContact O-C 3.49Å; I46-A76 VanDerWaalsContact O-CA 3.25Å; I46-A76 WeakPolarHBondContact O-CA 3.32Å; I46-Q77 HydrophobicContact CB-CB 4.18Å; I46-Q77 HydrophobicContact CD1-CB 4.36Å; I46-Q77 PolarHBondContact N-O 3.38Å; I46-Q77 PolarHBondContact O-N 2.88Å; I46-F78 HydrophobicContact CD1-CD2 4.09Å; I46-F78 HydrophobicContact CD1-CE2 4.15Å; I46-F78 HydrophobicContact CG1-CD2 4.43Å; I46-G80 WeakPolarHBondContact O-CA 3.33Å; I46-A507 HydrophobicContact CD1-CB 3.8Å
47	D	93.9	Very high	82.3	Confident	78 Å²	78	77.3 Å²	77.3	42%	0.417	41%	0.411	S	S	.	.			trans	-74.3	141.8	173.3	-57.9	-37.4	0	0	0	109.8	R49 G80 T81	D47-R49 PolarHBondContact O-N 3.26Å; D47-G80 VanDerWaalsContact OD1-CA 3.25Å; D47-G80 WeakPolarHBondContact OD1-CA 3.37Å; D47-T81 PolarHBondContact OD1-N 2.88Å; D47-T81 PolarHBondContact OD1-OG1 2.72Å
48	C	93.8	Very high	84.2	Confident	17 Å²	17	79.8 Å²	79.8	12%	0.115	41%	0.41	C	S	.	.			trans	-62.6	136	178	-176.7	0	0	0	0	110.8	L72 K74 A76 T81 C83	C48-L72 VanDerWaalsContact SG-CD1 3.54Å; C48-K74 WeakPolarHBondContact CA-O 3.48Å; C48-A76 HydrophobicContact CB-CB 3.75Å; C48-T81 WeakPolarHBondContact CB-O 3.27Å; C48-T81 PolarHBondContact N-O 3.08Å; C48-C83 HydrophobicContact CB-CB 3.85Å; C48-C83 WeakPolarHBondContact CB-SG 3.2Å; C48-C83 WeakPolarHBondContact SG-CB 3.36Å; C48-C83 CovalentContact SG-SG 2.01Å; C48-C83 PolarHBondContact SG-SG 3.02Å
49	R	93.1	Very high	85.6	Confident	162 Å²	162	76 Å²	76	61%	0.611	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.7	175	-63.5	-175.6	-174	-178.6	-0.2	109.2	D47 E73 K74	D47-R49 PolarHBondContact O-N 3.26Å; R49-E73 HydrophobicContact CB-CB 4.26Å; R49-E73 WeakPolarHBondContact O-CA 3.45Å; R49-E73 WeakPolarHBondContact O-CB 3.44Å; R49-E73 PolarHBondContact O-N 2.83Å; R49-K74 HydrophobicContact CB-CB 4.27Å; R49-K74 PolarHBondContact N-O 2.79Å; R49-K74 PolarHBondContact O-N 2.88Å
50	V	92.5	Very high	86	Confident	41 Å²	41	76.5 Å²	76.5	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.9	174	-77.2	0	0	0	0	109.2	L72 C83 L87	V50-L72 HydrophobicContact CG1-CD1 3.78Å; V50-C83 HydrophobicContact CG1-CB 4.38Å; V50-C83 VanDerWaalsContact CG1-SG 3.56Å; V50-L87 HydrophobicContact CG1-CD2 3.82Å
51	G	91.1	Very high	86.4	Confident	15 Å²	15	73.5 Å²	73.5	16%	0.155	37%	0.374	C	S	.	.			trans	-70	179.8	176.6	0	0	0	0	0	112.2	H71 E73	G51-H71 PolarHBondContact N-O 3.22Å; G51-E73 WeakPolarHBondContact CA-OE1 3.4Å
52	R	93.3	Very high	86.3	Confident	236 Å²	236	71 Å²	71	89%	0.891	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.7	149.8	171.4	-64.4	-177.6	179.4	179.8	-0	109.9
53	W	92.8	Very high	86.1	Confident	76 Å²	76	71.3 Å²	71.3	29%	0.288	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.1	138.5	168.4	-72.8	111.2	0	0	0	110.8	R68 R70 L87 D89	W53-R68 HydrophobicContact CD2-CG 4.26Å; W53-R68 HydrophobicContact CE3-CB 4.33Å; W53-R68 HydrophobicContact CE3-CG 3.6Å; W53-R68 HydrophobicContact CZ3-CG 4.01Å; W53-R70 HydrophobicContact CD2-CB 4.14Å; W53-R70 HydrophobicContact CD2-CG 4.2Å; W53-R70 HydrophobicContact CE3-CB 3.85Å; W53-R70 HydrophobicContact CE3-CG 3.9Å; W53-R70 HydrophobicContact CH2-CG 3.92Å; W53-R70 HydrophobicContact CZ2-CG 4.22Å; W53-R70 HydrophobicContact CZ3-CB 4.19Å; W53-R70 HydrophobicContact CZ3-CG 3.77Å; W53-L87 VanDerWaalsContact CZ3-O 3.3Å; W53-L87 WeakPolarHBondContact CZ3-O 3.45Å; W53-D89 HydrophobicContact CH2-CB 3.62Å; W53-D89 HydrophobicContact CZ2-CB 4.19Å; W53-D89 HydrophobicContact CZ3-CB 3.78Å
54	S	91.8	Very high	85.6	Confident	43 Å²	43	73.8 Å²	73.8	30%	0.301	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61	163.6	164	70.7	0	0	0	0	110.4	F69	S54-F69 WeakPolarHBondContact CB-O 3.25Å; S54-F69 PolarHBondContact N-O 2.9Å; S54-F69 PolarHBondContact OG-N 3.33Å; S54-F69 PolarHBondContact OG-O 3.23Å
55	S	89.9	Confident	85.2	Confident	97 Å²	97	76.3 Å²	76.3	68%	0.678	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-57.8	146	163.8	48.7	0	0	0	0	109.7	T57	S55-T57 PolarHBondContact O-N 3.45Å
56	W	88.6	Confident	84.8	Confident	88 Å²	88	74.7 Å²	74.7	33%	0.333	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-56.3	134.9	168	-72.5	108.6	0	0	0	109.9	T66 R68 D89 L91	W56-T66 WeakPolarHBondContact CB-OG1 3.06Å; W56-T66 HydrophobicContact CD2-CG2 4.15Å; W56-T66 HydrophobicContact CE3-CG2 3.58Å; W56-T66 HydrophobicContact CZ3-CG2 4.06Å; W56-R68 HydrophobicContact CD2-CB 4.23Å; W56-R68 HydrophobicContact CD2-CG 4.14Å; W56-R68 HydrophobicContact CE3-CB 3.93Å; W56-R68 HydrophobicContact CE3-CG 3.82Å; W56-R68 HydrophobicContact CH2-CG 3.7Å; W56-R68 VanDerWaalsContact CZ2-CD 3.42Å; W56-R68 HydrophobicContact CZ2-CG 4.03Å; W56-R68 HydrophobicContact CZ3-CB 4.18Å; W56-R68 HydrophobicContact CZ3-CG 3.61Å; W56-D89 HydrophobicContact CH2-CB 4.23Å; W56-L91 HydrophobicContact CH2-CB 4.04Å; W56-L91 HydrophobicContact CH2-CD1 3.43Å; W56-L91 VanDerWaalsContact CH2-CD1 3.43Å; W56-L91 HydrophobicContact CH2-CG 3.44Å; W56-L91 VanDerWaalsContact CH2-CG 3.44Å; W56-L91 HydrophobicContact CZ2-CD1 3.23Å; W56-L91 HydrophobicContact CZ2-CG 3.84Å; W56-L91 HydrophobicContact CZ3-CB 4.15Å; W56-L91 HydrophobicContact CZ3-CD1 4.22Å; W56-L91 HydrophobicContact CZ3-CG 4.06Å
57	T	86.3	Confident	84.5	Confident	23 Å²	23	74.7 Å²	74.7	14%	0.141	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61	153.9	171.2	60.6	0	0	0	0	109.3	S55 C59 T66 L67 D330 V333	S55-T57 PolarHBondContact O-N 3.45Å; T57-C59 PolarHBondContact O-N 3.48Å; T57-T66 PolarHBondContact N-OG1 2.86Å; T57-T66 PolarHBondContact O-OG1 2.98Å; T57-T66 PolarHBondContact OG1-OG1 2.76Å; T57-L67 HydrophobicContact CG2-CB 4.44Å; T57-L67 VanDerWaalsContact CG2-O 3.29Å; T57-L67 WeakPolarHBondContact CG2-O 3.49Å; T57-L67 PolarHBondContact N-O 3.42Å; T57-L67 PolarHBondContact OG1-N 2.92Å; T57-L67 PolarHBondContact OG1-O 2.95Å; T57-D330 HydrophobicContact CG2-CB 4.49Å; T57-D330 WeakPolarHBondContact CG2-OD2 3.31Å; T57-V333 HydrophobicContact CG2-CG2 3.57Å
58	R	81.6	Confident	84.3	Confident	219 Å²	219	73.6 Å²	73.6	83%	0.826	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-58.5	141.2	173.9	-66.1	-176.1	-176.5	177.2	3	109.1	D60	R58-D60 PolarHBondContact O-N 3.11Å
59	C	77.7	Confident	84.2	Confident	62 Å²	62	73 Å²	73	42%	0.419	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-65.1	121.9	172.6	-86.5	0	0	0	0	109.4	T57 C93	T57-C59 PolarHBondContact O-N 3.48Å; C59-C93 WeakPolarHBondContact CA-SG 3.41Å; C59-C93 HydrophobicContact CB-CB 3.79Å; C59-C93 WeakPolarHBondContact CB-SG 2.98Å; C59-C93 VanDerWaalsContact SG-CA 3.53Å; C59-C93 WeakPolarHBondContact SG-CB 3.42Å; C59-C93 CovalentContact SG-SG 2.03Å; C59-C93 PolarHBondContact SG-SG 3.2Å
60	D	68.2	Low	84.2	Confident	52 Å²	52	66.8 Å²	66.8	28%	0.278	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-88.7	124.7	170.6	-176	-7.7	0	0	0	108.4	R58 C62 T63 D64	R58-D60 PolarHBondContact O-N 3.11Å; D60-C62 PolarHBondContact O-N 2.93Å; D60-C62 VanDerWaalsContact O-N 3.17Å; D60-C62 WeakPolarHBondContact OD1-CB 3.24Å; D60-C62 PolarHBondContact OD1-N 3.41Å; D60-T63 PolarHBondContact O-N 3.46Å; D60-D64 PolarHBondContact O-N 2.87Å; D60-D64 VanDerWaalsContact O-N 3.13Å
61	S	66.8	Low	84.1	Confident	45 Å²	45	68.4 Å²	68.4	32%	0.315	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.5	176.4	45	0	0	0	0	113.6	T98	S61-T98 WeakPolarHBondContact CB-O 3.27Å
62	C	71.3	Confident	84.1	Confident	61 Å²	61	67.7 Å²	67.7	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-34.5	-177.3	-57.3	0	0	0	0	113.1	D60 C100	D60-C62 PolarHBondContact O-N 2.93Å; D60-C62 VanDerWaalsContact O-N 3.17Å; D60-C62 WeakPolarHBondContact OD1-CB 3.24Å; D60-C62 PolarHBondContact OD1-N 3.41Å; C62-C100 VanDerWaalsContact CA-SG 3.55Å; C62-C100 HydrophobicContact CB-CB 3.98Å; C62-C100 WeakPolarHBondContact CB-SG 3.48Å; C62-C100 WeakPolarHBondContact SG-CB 3.22Å; C62-C100 CovalentContact SG-SG 2.03Å; C62-C100 PolarHBondContact SG-SG 2.75Å
63	T	73.4	Confident	83.9	Confident	28 Å²	28	62.2 Å²	62.2	17%	0.172	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-14.5	-176.2	65.7	0	0	0	0	114.2	D60 K65 E324	D60-T63 PolarHBondContact O-N 3.46Å; T63-K65 WeakPolarHBondContact O-CD 3.15Å; T63-K65 WeakPolarHBondContact O-CG 3.32Å; T63-K65 PolarHBondContact O-N 2.83Å; T63-K65 VanDerWaalsContact O-N 3.1Å; T63-E324 HydrophobicContact CG2-CB 4.27Å; T63-E324 HydrophobicContact CG2-CG 3.64Å; T63-E324 WeakPolarHBondContact CG2-OE1 3.35Å
64	D	75.3	Confident	83.9	Confident	80 Å²	80	63.1 Å²	63.1	43%	0.428	32%	0.316	S	S	.	.			trans	51.2	28.7	-177.1	-162.9	32.9	0	0	0	113.6	D60 A92 C93	D60-D64 PolarHBondContact O-N 2.87Å; D60-D64 VanDerWaalsContact O-N 3.13Å; D64-A92 WeakPolarHBondContact O-CA 3.43Å; D64-C93 PolarHBondContact O-N 3.43Å; D64-C93 WeakPolarHBondContact OD1-CB 3.23Å
65	K	80.6	Confident	83.9	Confident	112 Å²	112	61.2 Å²	61.2	49%	0.487	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.4	-175.3	-70.3	161.4	-165.7	155.6	0	110.8	T63 L91	T63-K65 WeakPolarHBondContact O-CD 3.15Å; T63-K65 WeakPolarHBondContact O-CG 3.32Å; T63-K65 PolarHBondContact O-N 2.83Å; T63-K65 VanDerWaalsContact O-N 3.1Å; K65-L91 WeakPolarHBondContact CA-O 3.31Å
66	T	85.5	Confident	84.1	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.4	167.1	-179.9	0	0	0	0	109.6	W56 T57 R90 L91	W56-T66 WeakPolarHBondContact CB-OG1 3.06Å; W56-T66 HydrophobicContact CD2-CG2 4.15Å; W56-T66 HydrophobicContact CE3-CG2 3.58Å; W56-T66 HydrophobicContact CZ3-CG2 4.06Å; T57-T66 PolarHBondContact N-OG1 2.86Å; T57-T66 PolarHBondContact O-OG1 2.98Å; T57-T66 PolarHBondContact OG1-OG1 2.76Å; T66-R90 WeakPolarHBondContact O-CA 3.26Å; T66-L91 HydrophobicContact CG2-CB 3.93Å; T66-L91 PolarHBondContact N-O 3.36Å; T66-L91 PolarHBondContact O-N 2.76Å
67	L	87.4	Confident	84.3	Confident	23 Å²	23	52.7 Å²	52.7	12%	0.12	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.6	-177.5	-66.1	89.7	0	0	0	109.7	T57 D89 V333 R336	T57-L67 HydrophobicContact CG2-CB 4.44Å; T57-L67 VanDerWaalsContact CG2-O 3.29Å; T57-L67 WeakPolarHBondContact CG2-O 3.49Å; T57-L67 PolarHBondContact N-O 3.42Å; T57-L67 PolarHBondContact OG1-N 2.92Å; T57-L67 PolarHBondContact OG1-O 2.95Å; L67-D89 WeakPolarHBondContact CA-O 3.35Å; L67-V333 HydrophobicContact CB-CG2 4.36Å; L67-R336 VanDerWaalsContact CD2-NH1 3.29Å
68	R	90	Very high	84.6	Confident	55 Å²	55	52.6 Å²	52.6	21%	0.208	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159.1	166.1	63.1	177.5	-177.7	-179.5	-4.5	109.8	W53 W56 D89	W53-R68 HydrophobicContact CD2-CG 4.26Å; W53-R68 HydrophobicContact CE3-CB 4.33Å; W53-R68 HydrophobicContact CE3-CG 3.6Å; W53-R68 HydrophobicContact CZ3-CG 4.01Å; W56-R68 HydrophobicContact CD2-CB 4.23Å; W56-R68 HydrophobicContact CD2-CG 4.14Å; W56-R68 HydrophobicContact CE3-CB 3.93Å; W56-R68 HydrophobicContact CE3-CG 3.82Å; W56-R68 HydrophobicContact CH2-CG 3.7Å; W56-R68 VanDerWaalsContact CZ2-CD 3.42Å; W56-R68 HydrophobicContact CZ2-CG 4.03Å; W56-R68 HydrophobicContact CZ3-CB 4.18Å; W56-R68 HydrophobicContact CZ3-CG 3.61Å; R68-D89 HydrophobicContact CG-CB 3.85Å; R68-D89 IonicContact CZ-OD2 3.61Å; R68-D89 PolarHBondContact N-O 3.35Å; R68-D89 VanDerWaalsContact N-O 3.1Å; R68-D89 IonicContact NE-OD2 3.78Å; R68-D89 PolarHBondContact NE-OD2 2.94Å; R68-D89 VanDerWaalsContact NE-OD2 3.1Å; R68-D89 IonicContact NH2-OD2 2.76Å; R68-D89 PolarHBondContact NH2-OD2 2.79Å; R68-D89 PolarHBondContact O-N 3.49Å
69	F	92.1	Very high	84.8	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.022	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.3	-178.3	177.8	-96.8	0	0	0	111	S54 H71 L87 W88 F331 E500	S54-F69 WeakPolarHBondContact CB-O 3.25Å; S54-F69 PolarHBondContact N-O 2.9Å; S54-F69 PolarHBondContact OG-N 3.33Å; S54-F69 PolarHBondContact OG-O 3.23Å; F69-H71 HydrophobicContact CE1-CB 4.41Å; F69-H71 AromaticContact CE1-CE1 3.79Å; F69-H71 AromaticContact CE1-CG 3.86Å; F69-H71 AromaticContact CE1-ND1 3.69Å; F69-L87 WeakPolarHBondContact CA-O 3Å; F69-L87 HydrophobicContact CD2-CB 4.23Å; F69-L87 WeakPolarHBondContact CD2-O 3.31Å; F69-L87 HydrophobicContact CE2-CB 3.66Å; F69-L87 HydrophobicContact CZ-CB 4.34Å; F69-W88 AromaticContact CD2-CD1 3.81Å; F69-W88 HydrophobicContact CD2-CD2 4.04Å; F69-W88 AromaticContact CD2-CE2 3.66Å; F69-W88 HydrophobicContact CD2-CG 4.12Å; F69-W88 HydrophobicContact CD2-CZ2 4.13Å; F69-W88 AromaticContact CD2-NE1 3.54Å; F69-W88 HydrophobicContact CE2-CD2 4.17Å; F69-W88 AromaticContact CE2-CE2 3.65Å; F69-W88 HydrophobicContact CE2-CH2 4.08Å; F69-W88 AromaticContact CE2-CZ2 3.63Å; F69-W88 HydrophobicContact CE2-CZ2 3.63Å; F69-W88 AromaticContact CE2-NE1 3.97Å; F69-F331 AromaticContact CD1-CD1 3.72Å; F69-F331 HydrophobicContact CD1-CD1 3.72Å; F69-F331 HydrophobicContact CD1-CE1 4.13Å; F69-F331 AromaticContact CE1-CD1 3.5Å; F69-F331 HydrophobicContact CE1-CD1 3.5Å; F69-F331 AromaticContact CE1-CE1 3.47Å; F69-F331 HydrophobicContact CE1-CE1 3.47Å; F69-F331 VanDerWaalsContact CE1-CE1 3.47Å; F69-F331 HydrophobicContact CE2-CE1 4.38Å; F69-F331 HydrophobicContact CG-CD1 4.46Å; F69-F331 HydrophobicContact CZ-CD1 4.09Å; F69-F331 AromaticContact CZ-CE1 3.62Å; F69-F331 HydrophobicContact CZ-CE1 3.62Å; F69-E500 HydrophobicContact CZ-CG 4.48Å
70	R	91.6	Very high	85.4	Confident	30 Å²	30	43.3 Å²	43.3	11%	0.113	24%	0.237	C	C	.	.			trans	-132.4	134.8	169	60.7	-176.5	176.7	171.4	3.9	109.4	W53 G85 T86 L87	W53-R70 HydrophobicContact CD2-CB 4.14Å; W53-R70 HydrophobicContact CD2-CG 4.2Å; W53-R70 HydrophobicContact CE3-CB 3.85Å; W53-R70 HydrophobicContact CE3-CG 3.9Å; W53-R70 HydrophobicContact CH2-CG 3.92Å; W53-R70 HydrophobicContact CZ2-CG 4.22Å; W53-R70 HydrophobicContact CZ3-CB 4.19Å; W53-R70 HydrophobicContact CZ3-CG 3.77Å; R70-G85 VanDerWaalsContact NH2-C 3.33Å; R70-G85 PolarHBondContact NH2-O 3.01Å; R70-T86 VanDerWaalsContact CZ-O 3.25Å; R70-T86 PolarHBondContact NE-O 3.38Å; R70-T86 PolarHBondContact NH2-O 3.14Å; R70-L87 HydrophobicContact CG-CD2 4.35Å; R70-L87 PolarHBondContact N-O 2.64Å
71	H	91.1	Very high	86.5	Confident	76 Å²	76	45.3 Å²	45.3	35%	0.352	25%	0.252	S	S	.	.			trans	-68.5	144.3	175.5	-65	-87.5	0	0	0	110.5	G51 F69 E73 F331 E496 E500	G51-H71 PolarHBondContact N-O 3.22Å; F69-H71 HydrophobicContact CE1-CB 4.41Å; F69-H71 AromaticContact CE1-CE1 3.79Å; F69-H71 AromaticContact CE1-CG 3.86Å; F69-H71 AromaticContact CE1-ND1 3.69Å; H71-E73 PolarHBondContact O-N 2.95Å; H71-F331 AromaticContact CE1-CD1 3.71Å; H71-E496 IonicContact CE1-OE1 3.18Å; H71-E496 PolarHBondContact CE1-OE1 2.88Å; H71-E496 VanDerWaalsContact CE1-OE1 3.3Å; H71-E500 IonicContact ND1-OE2 2.7Å; H71-E500 PolarHBondContact ND1-OE2 3.11Å
72	L	90.3	Very high	87.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.5	165.5	-176.1	65.3	0	0	0	106.3	C48 V50 P75 L87 E500 R505 T520	C48-L72 VanDerWaalsContact SG-CD1 3.54Å; V50-L72 HydrophobicContact CG1-CD1 3.78Å; L72-P75 HydrophobicContact CD2-CB 3.97Å; L72-L87 HydrophobicContact CB-CD1 4.39Å; L72-L87 HydrophobicContact CB-CD2 4.2Å; L72-E500 PolarHBondContact N-OE1 2.89Å; L72-R505 PolarHBondContact O-NH1 3.01Å; L72-R505 PolarHBondContact O-NH2 3.02Å; L72-T520 HydrophobicContact CD1-CG2 4.11Å
73	E	90.8	Very high	88.4	Confident	120 Å²	120	46.1 Å²	46.1	56%	0.561	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-46.1	177.7	-68.6	-179.9	174.5	0	0	110.2	R49 G51 H71 R505	R49-E73 HydrophobicContact CB-CB 4.26Å; R49-E73 WeakPolarHBondContact O-CA 3.45Å; R49-E73 WeakPolarHBondContact O-CB 3.44Å; R49-E73 PolarHBondContact O-N 2.83Å; G51-E73 WeakPolarHBondContact CA-OE1 3.4Å; H71-E73 PolarHBondContact O-N 2.95Å; E73-R505 PolarHBondContact O-NH2 2.91Å; E73-R505 VanDerWaalsContact O-NH2 3.08Å
74	K	91.1	Very high	88.7	Confident	95 Å²	95	51.6 Å²	51.6	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.6	-179.7	-158.6	171.9	-171	-167	0	110.6	I46 C48 R49	I46-K74 HydrophobicContact CG2-CD 3.46Å; I46-K74 VanDerWaalsContact CG2-CD 3.46Å; I46-K74 HydrophobicContact CG2-CG 3.69Å; C48-K74 WeakPolarHBondContact CA-O 3.48Å; R49-K74 HydrophobicContact CB-CB 4.27Å; R49-K74 PolarHBondContact N-O 2.79Å; R49-K74 PolarHBondContact O-N 2.88Å
75	P	92.2	Very high	88.7	Confident	4 Å²	4	50 Å²	50	3%	0.026	29%	0.285	C	S	.	.			trans	-69.7	152.8	174.1	28.7	-33.2	0	0	0	111.2	I46 L72 T520 C522	I46-P75 VanDerWaalsContact CG2-O 3.3Å; I46-P75 WeakPolarHBondContact CG2-O 3.17Å; L72-P75 HydrophobicContact CD2-CB 3.97Å; P75-T520 CarbonylContact C-O 3.53Å; P75-T520 VanDerWaalsContact CA-O 3.24Å; P75-T520 WeakPolarHBondContact CA-O 3.3Å; P75-T520 WeakPolarHBondContact CB-O 3.38Å; P75-C522 VanDerWaalsContact CB-SG 3.58Å; P75-C522 WeakPolarHBondContact CG-SG 3.25Å
76	A	93.6	Very high	88.9	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-64.7	138.6	168.6	0	0	0	0	0	110.3	I46 C48 D82 T520 S521 C522	I46-A76 CarbonylContact O-C 3.49Å; I46-A76 VanDerWaalsContact O-CA 3.25Å; I46-A76 WeakPolarHBondContact O-CA 3.32Å; C48-A76 HydrophobicContact CB-CB 3.75Å; A76-D82 VanDerWaalsContact CB-OD1 3.28Å; A76-D82 WeakPolarHBondContact CB-OD1 3.44Å; A76-T520 PolarHBondContact N-O 2.91Å; A76-S521 CarbonylContact O-C 3.59Å; A76-S521 WeakPolarHBondContact O-CA 3.49Å; A76-C522 PolarHBondContact O-N 3.49Å
77	Q	93.1	Very high	89.1	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.019	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-155.9	160.2	176.2	-160.6	168.9	-3.5	0	0	111.9	I46 G79 G80 A507 C522	I46-Q77 HydrophobicContact CB-CB 4.18Å; I46-Q77 HydrophobicContact CD1-CB 4.36Å; I46-Q77 PolarHBondContact N-O 3.38Å; I46-Q77 PolarHBondContact O-N 2.88Å; Q77-G79 VanDerWaalsContact C-N 3.26Å; Q77-G79 PolarHBondContact O-N 3.39Å; Q77-G80 PolarHBondContact O-N 2.75Å; Q77-A507 PolarHBondContact NE2-O 2.8Å; Q77-C522 HydrophobicContact CB-CB 4.14Å; Q77-C522 HydrophobicContact CG-CB 3.83Å
78	F	92.1	Very high	89.2	Confident	20 Å²	20	49.2 Å²	49.2	9%	0.088	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37.2	175.4	-50.1	-43.8	0	0	0	113.6	P43 I46 A507 V533 A534	P43-F78 HydrophobicContact CB-CD2 3.8Å; P43-F78 HydrophobicContact CB-CE2 4Å; P43-F78 HydrophobicContact CB-CG 4.31Å; P43-F78 HydrophobicContact CG-CB 4.32Å; P43-F78 HydrophobicContact CG-CD1 4.02Å; P43-F78 HydrophobicContact CG-CD2 3.68Å; P43-F78 HydrophobicContact CG-CE1 4.26Å; P43-F78 HydrophobicContact CG-CE2 3.91Å; P43-F78 HydrophobicContact CG-CG 3.74Å; P43-F78 HydrophobicContact CG-CZ 4.2Å; I46-F78 HydrophobicContact CD1-CD2 4.09Å; I46-F78 HydrophobicContact CD1-CE2 4.15Å; I46-F78 HydrophobicContact CG1-CD2 4.43Å; F78-A507 HydrophobicContact CE2-CB 3.73Å; F78-A507 HydrophobicContact CZ-CB 4.01Å; F78-V533 HydrophobicContact CB-CB 4.38Å; F78-V533 HydrophobicContact CB-CG2 3.86Å; F78-V533 HydrophobicContact CD1-CB 4.33Å; F78-V533 HydrophobicContact CD1-CG2 4.11Å; F78-V533 WeakPolarHBondContact CD1-O 3.04Å; F78-V533 HydrophobicContact CG-CG2 4.3Å; F78-A534 HydrophobicContact CD1-CB 3.7Å; F78-A534 HydrophobicContact CE1-CB 3.23Å; F78-A534 HydrophobicContact CZ-CB 3.76Å
79	G	86	Confident	89.1	Confident	73 Å²	73	49 Å²	49	75%	0.753	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	19.4	-179	0	0	0	0	0	114.5	Q77	Q77-G79 VanDerWaalsContact C-N 3.26Å; Q77-G79 PolarHBondContact O-N 3.39Å
80	G	91.2	Very high	88.9	Confident	13 Å²	13	56.5 Å²	56.5	13%	0.134	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-71.6	165.1	167.3	0	0	0	0	0	112.1	I46 D47 Q77	I46-G80 WeakPolarHBondContact O-CA 3.33Å; D47-G80 VanDerWaalsContact OD1-CA 3.25Å; D47-G80 WeakPolarHBondContact OD1-CA 3.37Å; Q77-G80 PolarHBondContact O-N 2.75Å
81	T	91.3	Very high	88.7	Confident	95 Å²	95	59.4 Å²	59.4	58%	0.583	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-75.7	130.2	-177.8	58	0	0	0	0	111.7	D47 C48	D47-T81 PolarHBondContact OD1-N 2.88Å; D47-T81 PolarHBondContact OD1-OG1 2.72Å; C48-T81 WeakPolarHBondContact CB-O 3.27Å; C48-T81 PolarHBondContact N-O 3.08Å
82	D	89.6	Confident	88.4	Confident	98 Å²	98	59.4 Å²	59.4	52%	0.524	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-64.6	152.9	174.1	-66.8	-29.4	0	0	0	112.1	A76 S521	A76-D82 VanDerWaalsContact CB-OD1 3.28Å; A76-D82 WeakPolarHBondContact CB-OD1 3.44Å; D82-S521 VanDerWaalsContact OD1-CB 3.28Å; D82-S521 WeakPolarHBondContact OD1-CB 3.34Å
83	C	87.6	Confident	87.9	Confident	24 Å²	24	60 Å²	60	16%	0.162	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-70.7	134.1	175.8	-81.7	0	0	0	0	111.1	C48 V50 G85	C48-C83 HydrophobicContact CB-CB 3.85Å; C48-C83 WeakPolarHBondContact CB-SG 3.2Å; C48-C83 WeakPolarHBondContact SG-CB 3.36Å; C48-C83 CovalentContact SG-SG 2.01Å; C48-C83 PolarHBondContact SG-SG 3.02Å; V50-C83 HydrophobicContact CG1-CB 4.38Å; V50-C83 VanDerWaalsContact CG1-SG 3.56Å; C83-G85 PolarHBondContact O-N 3.25Å
84	V	80.7	Confident	87.3	Confident	143 Å²	143	59.3 Å²	59.3	87%	0.867	36%	0.359	S	S	*	.	S	Bend	trans	-84.8	112.2	170	-174.8	0	0	0	0	108.7
85	G	75.9	Confident	86.2	Confident	46 Å²	46	61.5 Å²	61.5	47%	0.474	38%	0.38	S	S	.	.	S	Bend	trans	107.8	166.6	173.9	0	0	0	0	0	114.9	R70 C83	R70-G85 VanDerWaalsContact NH2-C 3.33Å; R70-G85 PolarHBondContact NH2-O 3.01Å; C83-G85 PolarHBondContact O-N 3.25Å
86	T	84.6	Confident	84.5	Confident	94 Å²	94	63.7 Å²	63.7	58%	0.577	40%	0.399	S	S	*	.			trans	-81.3	165.9	-173.9	49.6	0	0	0	0	112.7	R70 W88	R70-T86 VanDerWaalsContact CZ-O 3.25Å; R70-T86 PolarHBondContact NE-O 3.38Å; R70-T86 PolarHBondContact NH2-O 3.14Å; T86-W88 WeakPolarHBondContact CB-O 3.23Å; T86-W88 PolarHBondContact OG1-O 3.11Å
87	L	88.4	Confident	82.7	Confident	7 Å²	7	70.6 Å²	70.6	4%	0.037	44%	0.441	C	S	.	.	S	Bend	trans	-85.2	-19.2	172	-56.5	175.7	0	0	0	112.7	V50 W53 F69 R70 L72 F501 T520	V50-L87 HydrophobicContact CG1-CD2 3.82Å; W53-L87 VanDerWaalsContact CZ3-O 3.3Å; W53-L87 WeakPolarHBondContact CZ3-O 3.45Å; F69-L87 WeakPolarHBondContact CA-O 3Å; F69-L87 HydrophobicContact CD2-CB 4.23Å; F69-L87 WeakPolarHBondContact CD2-O 3.31Å; F69-L87 HydrophobicContact CE2-CB 3.66Å; F69-L87 HydrophobicContact CZ-CB 4.34Å; R70-L87 HydrophobicContact CG-CD2 4.35Å; R70-L87 PolarHBondContact N-O 2.64Å; L72-L87 HydrophobicContact CB-CD1 4.39Å; L72-L87 HydrophobicContact CB-CD2 4.2Å; L87-F501 HydrophobicContact CD1-CE1 3.69Å; L87-F501 HydrophobicContact CD1-CZ 4.04Å; L87-T520 HydrophobicContact CD2-CG2 4.25Å; L87-T520 HydrophobicContact CG-CG2 4.37Å
88	W	89.6	Confident	81.3	Confident	29 Å²	29	75 Å²	75	11%	0.11	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.5	173.4	-61.5	-96.3	0	0	0	110.4	F69 T86 I269 G332 S335 F501	F69-W88 AromaticContact CD2-CD1 3.81Å; F69-W88 HydrophobicContact CD2-CD2 4.04Å; F69-W88 AromaticContact CD2-CE2 3.66Å; F69-W88 HydrophobicContact CD2-CG 4.12Å; F69-W88 HydrophobicContact CD2-CZ2 4.13Å; F69-W88 AromaticContact CD2-NE1 3.54Å; F69-W88 HydrophobicContact CE2-CD2 4.17Å; F69-W88 AromaticContact CE2-CE2 3.65Å; F69-W88 HydrophobicContact CE2-CH2 4.08Å; F69-W88 AromaticContact CE2-CZ2 3.63Å; F69-W88 HydrophobicContact CE2-CZ2 3.63Å; F69-W88 AromaticContact CE2-NE1 3.97Å; T86-W88 WeakPolarHBondContact CB-O 3.23Å; T86-W88 PolarHBondContact OG1-O 3.11Å; W88-I269 HydrophobicContact CD2-CD1 4.45Å; W88-I269 HydrophobicContact CE3-CD1 3.73Å; W88-I269 HydrophobicContact CE3-CG1 4.02Å; W88-I269 HydrophobicContact CH2-CD1 3.02Å; W88-I269 HydrophobicContact CH2-CG1 4.04Å; W88-I269 HydrophobicContact CZ2-CD1 3.81Å; W88-I269 HydrophobicContact CZ3-CD1 2.97Å; W88-I269 HydrophobicContact CZ3-CG1 3.47Å; W88-I269 VanDerWaalsContact CZ3-CG1 3.47Å; W88-G332 PolarHBondContact NE1-O 2.95Å; W88-S335 PolarHBondContact NE1-OG 3.37Å; W88-F501 AromaticContact CH2-CE1 3.92Å; W88-F501 HydrophobicContact CH2-CE1 3.92Å; W88-F501 HydrophobicContact CH2-CE2 4.1Å; W88-F501 AromaticContact CH2-CZ 3.32Å; W88-F501 HydrophobicContact CH2-CZ 3.32Å; W88-F501 HydrophobicContact CZ2-CE2 4.26Å; W88-F501 AromaticContact CZ2-CZ 3.83Å; W88-F501 HydrophobicContact CZ2-CZ 3.83Å; W88-F501 HydrophobicContact CZ3-CZ 4.38Å
89	D	89.3	Confident	80	Confident	50 Å²	50	82.1 Å²	82.1	27%	0.267	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.4	170.7	-168.1	12.1	0	0	0	109.5	W53 W56 L67 R68	W53-D89 HydrophobicContact CH2-CB 3.62Å; W53-D89 HydrophobicContact CZ2-CB 4.19Å; W53-D89 HydrophobicContact CZ3-CB 3.78Å; W56-D89 HydrophobicContact CH2-CB 4.23Å; L67-D89 WeakPolarHBondContact CA-O 3.35Å; R68-D89 HydrophobicContact CG-CB 3.85Å; R68-D89 IonicContact CZ-OD2 3.61Å; R68-D89 PolarHBondContact N-O 3.35Å; R68-D89 VanDerWaalsContact N-O 3.1Å; R68-D89 IonicContact NE-OD2 3.78Å; R68-D89 PolarHBondContact NE-OD2 2.94Å; R68-D89 VanDerWaalsContact NE-OD2 3.1Å; R68-D89 IonicContact NH2-OD2 2.76Å; R68-D89 PolarHBondContact NH2-OD2 2.79Å; R68-D89 PolarHBondContact O-N 3.49Å
90	R	87.3	Confident	79.3	Confident	164 Å²	164	81.1 Å²	81.1	62%	0.619	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.4	-176.4	76.3	-175.9	-158.6	-172.3	7.6	110.1	T66	T66-R90 WeakPolarHBondContact O-CA 3.26Å
91	L	87.5	Confident	78.1	Confident	91 Å²	91	88.3 Å²	88.3	48%	0.476	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.8	171.7	-72.2	176.7	0	0	0	110.1	W56 K65 T66	W56-L91 HydrophobicContact CH2-CB 4.04Å; W56-L91 HydrophobicContact CH2-CD1 3.43Å; W56-L91 VanDerWaalsContact CH2-CD1 3.43Å; W56-L91 HydrophobicContact CH2-CG 3.44Å; W56-L91 VanDerWaalsContact CH2-CG 3.44Å; W56-L91 HydrophobicContact CZ2-CD1 3.23Å; W56-L91 HydrophobicContact CZ2-CG 3.84Å; W56-L91 HydrophobicContact CZ3-CB 4.15Å; W56-L91 HydrophobicContact CZ3-CD1 4.22Å; W56-L91 HydrophobicContact CZ3-CG 4.06Å; K65-L91 WeakPolarHBondContact CA-O 3.31Å; T66-L91 HydrophobicContact CG2-CB 3.93Å; T66-L91 PolarHBondContact N-O 3.36Å; T66-L91 PolarHBondContact O-N 2.76Å
92	A	85.1	Confident	77	Confident	76 Å²	76	88.9 Å²	88.9	63%	0.628	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.8	166.1	0	0	0	0	0	109.2	D64	D64-A92 WeakPolarHBondContact O-CA 3.43Å
93	C	79.3	Confident	76.3	Confident	12 Å²	12	90.9 Å²	90.9	8%	0.081	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-70.8	149.1	174.7	-80.4	0	0	0	0	111.2	C59 D64	C59-C93 WeakPolarHBondContact CA-SG 3.41Å; C59-C93 HydrophobicContact CB-CB 3.79Å; C59-C93 WeakPolarHBondContact CB-SG 2.98Å; C59-C93 VanDerWaalsContact SG-CA 3.53Å; C59-C93 WeakPolarHBondContact SG-CB 3.42Å; C59-C93 CovalentContact SG-SG 2.03Å; C59-C93 PolarHBondContact SG-SG 3.2Å; D64-C93 PolarHBondContact O-N 3.43Å; D64-C93 WeakPolarHBondContact OD1-CB 3.23Å
94	P	78.6	Confident	76	Confident	105 Å²	105	94.8 Å²	94.8	68%	0.682	54%	0.541	S	S	*	.	S	Bend	trans	-57.7	140.3	165.6	-15.3	28.6	0	0	0	108.3	A96	P94-A96 PolarHBondContact O-N 2.82Å
95	T	66.5	Low	76.2	Confident	141 Å²	141	91 Å²	91	87%	0.865	51%	0.512	S	S	*	.			trans	-40	104.2	-173.1	-1.2	0	0	0	0	111.5	T97	T95-T97 PolarHBondContact O-N 2.86Å
96	A	58.3	Low	76.8	Confident	50 Å²	50	89.3 Å²	89.3	41%	0.413	49%	0.492	S	S	.	.			trans	-71.7	116.1	-175.9	0	0	0	0	0	109.1	P94 T98	P94-A96 PolarHBondContact O-N 2.82Å; A96-T98 PolarHBondContact O-N 2.01Å
97	T	55.7	Low	76.9	Confident	148 Å²	148	87.9 Å²	87.9	91%	0.908	50%	0.497	S	S	*	.			trans	-78.2	-1.3	169.5	36.3	0	0	0	0	113	T95	T95-T97 PolarHBondContact O-N 2.86Å
98	T	62.4	Low	76.8	Confident	95 Å²	95	96.7 Å²	96.7	58%	0.583	54%	0.538	S	S	*	.	S	Bend	trans	-103.1	125.2	-176.6	37.2	0	0	0	0	111.4	S61 A96	S61-T98 WeakPolarHBondContact CB-O 3.27Å; A96-T98 PolarHBondContact O-N 2.01Å
99	Q	65.9	Low	76.9	Confident	171 Å²	171	97.9 Å²	97.9	80%	0.799	55%	0.55	S	S	*	*			trans	-66.4	132.4	177.6	-169.6	170.4	-0	0	0	110.8	M101	Q99-M101 PolarHBondContact O-N 2.98Å; Q99-M101 VanDerWaalsContact O-N 3.13Å
100	C	70.6	Confident	77	Confident	51 Å²	51	97 Å²	97	35%	0.345	54%	0.544	S	S	.	.			trans	-62.5	111.5	171.1	171	0	0	0	0	109.1	C62	C62-C100 VanDerWaalsContact CA-SG 3.55Å; C62-C100 HydrophobicContact CB-CB 3.98Å; C62-C100 WeakPolarHBondContact CB-SG 3.48Å; C62-C100 WeakPolarHBondContact SG-CB 3.22Å; C62-C100 CovalentContact SG-SG 2.03Å; C62-C100 PolarHBondContact SG-SG 2.75Å
101	M	65	Low	77.3	Confident	164 Å²	164	91.4 Å²	91.4	81%	0.808	53%	0.528	S	S	*	.			trans	-105.3	91.4	174.4	-66.5	-111.6	-79.9	0	0	107.4	Q99 K103	Q99-M101 PolarHBondContact O-N 2.98Å; Q99-M101 VanDerWaalsContact O-N 3.13Å; M101-K103 PolarHBondContact O-N 3.38Å
102	V	69.5	Low	77.5	Confident	108 Å²	108	87.1 Å²	87.1	66%	0.655	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-66.2	122.4	171.7	-175.9	0	0	0	0	107.2	D104	V102-D104 PolarHBondContact O-N 2.84Å
103	K	74.9	Confident	77.7	Confident	140 Å²	140	89.5 Å²	89.5	61%	0.609	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-68	128.2	176.3	-175	176.1	176.6	-170.2	0	108.2	M101 Y105	M101-K103 PolarHBondContact O-N 3.38Å; K103-Y105 HydrophobicContact CB-CE1 4.49Å; K103-Y105 HydrophobicContact CB-CE2 3.88Å; K103-Y105 HydrophobicContact CD-CE1 3.8Å; K103-Y105 HydrophobicContact CG-CE1 4.23Å; K103-Y105 HydrophobicContact CG-CE2 4.39Å; K103-Y105 WeakPolarHBondContact O-CD2 3.3Å; K103-Y105 VanDerWaalsContact O-CE2 3.23Å; K103-Y105 WeakPolarHBondContact O-CE2 3.49Å; K103-Y105 PolarHBondContact O-N 2.99Å
104	D	81.1	Confident	78	Confident	105 Å²	105	96.8 Å²	96.8	56%	0.561	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-73.8	119.4	171.8	-177.6	3.2	0	0	0	109.2	V102 C106	V102-D104 PolarHBondContact O-N 2.84Å; D104-C106 PolarHBondContact OD1-N 2.63Å
105	Y	85.5	Confident	78.4	Confident	64 Å²	64	92.8 Å²	92.8	25%	0.251	51%	0.508	S	S	.	.			trans	-104.9	-13.1	178.8	-64.8	-81.1	0	0	0	112.8	K103 M323 H482	K103-Y105 HydrophobicContact CB-CE1 4.49Å; K103-Y105 HydrophobicContact CB-CE2 3.88Å; K103-Y105 HydrophobicContact CD-CE1 3.8Å; K103-Y105 HydrophobicContact CG-CE1 4.23Å; K103-Y105 HydrophobicContact CG-CE2 4.39Å; K103-Y105 WeakPolarHBondContact O-CD2 3.3Å; K103-Y105 VanDerWaalsContact O-CE2 3.23Å; K103-Y105 WeakPolarHBondContact O-CE2 3.49Å; K103-Y105 PolarHBondContact O-N 2.99Å; Y105-M323 HydrophobicContact CE2-SD 4.42Å; Y105-H482 HydrophobicContact CD1-CB 3.85Å; Y105-H482 HydrophobicContact CD2-CB 4.49Å; Y105-H482 HydrophobicContact CE1-CB 4.33Å; Y105-H482 HydrophobicContact CG-CB 3.95Å; Y105-H482 AromaticContact CG-CG 3.81Å
106	C	87.4	Confident	79.4	Confident	10 Å²	10	86.8 Å²	86.8	7%	0.068	48%	0.475	C	S	.	.			trans	-82.6	-22.4	-166.4	-60	0	0	0	0	113.4	D104 E108 S109 T111 C118	D104-C106 PolarHBondContact OD1-N 2.63Å; C106-E108 PolarHBondContact O-N 2.94Å; C106-S109 VanDerWaalsContact O-CB 3.24Å; C106-S109 WeakPolarHBondContact O-CB 3.4Å; C106-S109 PolarHBondContact O-N 2.73Å; C106-S109 PolarHBondContact O-OG 3.27Å; C106-T111 WeakPolarHBondContact CB-OG1 3.38Å; C106-T111 PolarHBondContact SG-OG1 2.88Å; C106-C118 WeakPolarHBondContact CA-SG 3.24Å; C106-C118 HydrophobicContact CB-CB 3.73Å; C106-C118 WeakPolarHBondContact CB-SG 3.43Å; C106-C118 WeakPolarHBondContact SG-CA 3.39Å; C106-C118 WeakPolarHBondContact SG-CB 3.42Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 2.98Å
107	G	86.8	Confident	81	Confident	65 Å²	65	84.7 Å²	84.7	67%	0.67	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-109.5	175.1	0	0	0	0	0	112.1	S109	G107-S109 VanDerWaalsContact C-N 3.34Å
108	E	86.9	Confident	82.8	Confident	192 Å²	192	78.6 Å²	78.6	90%	0.897	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.9	176.7	-61.9	-174.2	170.5	0	0	113.6	C106	C106-E108 PolarHBondContact O-N 2.94Å
109	S	91.6	Very high	84.3	Confident	53 Å²	53	74.2 Å²	74.2	37%	0.371	39%	0.393	S	S	.	.	S	Bend	trans	-83	157.7	175	-56.4	0	0	0	0	111.1	C106 G107 I119	C106-S109 VanDerWaalsContact O-CB 3.24Å; C106-S109 WeakPolarHBondContact O-CB 3.4Å; C106-S109 PolarHBondContact O-N 2.73Å; C106-S109 PolarHBondContact O-OG 3.27Å; G107-S109 VanDerWaalsContact C-N 3.34Å; S109-I119 WeakPolarHBondContact CB-O 2.97Å
110	F	92.3	Very high	85.5	Confident	33 Å²	33	68.9 Å²	68.9	15%	0.145	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142.6	173.7	-177.8	-99.7	0	0	0	110.3	C118 I119 S135 D136	F110-C118 WeakPolarHBondContact O-CA 3.09Å; F110-I119 HydrophobicContact CB-CG1 3.97Å; F110-I119 HydrophobicContact CD1-CD1 3.85Å; F110-I119 HydrophobicContact CD1-CG1 3.8Å; F110-I119 HydrophobicContact CG-CG1 4.37Å; F110-I119 PolarHBondContact N-O 3.04Å; F110-I119 PolarHBondContact O-N 2.77Å; F110-S135 WeakPolarHBondContact CZ-O 3.02Å; F110-D136 HydrophobicContact CD1-CB 4.13Å; F110-D136 HydrophobicContact CE1-CB 3.79Å
111	T	92.4	Very high	86.5	Confident	46 Å²	46	71 Å²	71	28%	0.282	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.6	-179.9	-51.8	0	0	0	0	109.5	C106 K113	C106-T111 WeakPolarHBondContact CB-OG1 3.38Å; C106-T111 PolarHBondContact SG-OG1 2.88Å; T111-K113 PolarHBondContact O-N 2.83Å
112	C	92.5	Very high	87.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	37%	0.371	C	S	.	.			trans	-61.3	131.4	171.5	-55.6	0	0	0	0	109.9	E114 T115 G116 R117 C131 S135	C112-E114 PolarHBondContact O-N 2.82Å; C112-T115 WeakPolarHBondContact CB-OG1 3.5Å; C112-G116 WeakPolarHBondContact O-CA 3.05Å; C112-G116 PolarHBondContact O-N 2.94Å; C112-R117 HydrophobicContact CB-CB 4.36Å; C112-R117 PolarHBondContact N-O 3.03Å; C112-R117 PolarHBondContact SG-O 3.49Å; C112-R117 VanDerWaalsContact SG-O 3.39Å; C112-C131 VanDerWaalsContact CA-SG 3.56Å; C112-C131 HydrophobicContact CB-CB 3.69Å; C112-C131 WeakPolarHBondContact CB-SG 3.39Å; C112-C131 WeakPolarHBondContact SG-CB 3.47Å; C112-C131 CovalentContact SG-SG 2.03Å; C112-C131 PolarHBondContact SG-SG 2.04Å; C112-S135 WeakPolarHBondContact CA-OG 2.95Å
113	K	88.4	Confident	88.8	Confident	125 Å²	125	62.9 Å²	62.9	54%	0.543	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-45.9	-166.2	-75.2	174.8	-175	179.1	0	112.9	T111 D133 S135 D138 E139	T111-K113 PolarHBondContact O-N 2.83Å; K113-D133 WeakPolarHBondContact CA-OD2 3.24Å; K113-D133 WeakPolarHBondContact CB-OD2 3.44Å; K113-D133 PolarHBondContact N-OD2 2.84Å; K113-S135 PolarHBondContact N-OG 2.03Å; K113-S135 VanDerWaalsContact N-OG 3.07Å; K113-D138 IonicContact NZ-OD2 3.58Å; K113-D138 PolarHBondContact NZ-OD2 2.87Å; K113-E139 IonicContact NZ-OE1 3.56Å
114	E	85	Confident	89.6	Confident	166 Å²	166	60.8 Å²	60.8	78%	0.776	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-35.6	-176.7	-65.8	-161.8	161.9	0	0	113	C112 D133	C112-E114 PolarHBondContact O-N 2.82Å; E114-D133 HydrophobicContact CB-CB 4.21Å; E114-D133 HydrophobicContact CG-CB 4.05Å; E114-D133 PolarHBondContact N-OD2 3.44Å
115	T	87.2	Confident	90.1	Very high	20 Å²	20	56.7 Å²	56.7	12%	0.123	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.4	-165.2	67.6	0	0	0	0	113.6	C112 R117 E316 Y319 I320	C112-T115 WeakPolarHBondContact CB-OG1 3.5Å; T115-R117 PolarHBondContact O-N 3.28Å; T115-E316 WeakPolarHBondContact CB-OE2 3.28Å; T115-E316 HydrophobicContact CG2-CB 4.06Å; T115-E316 WeakPolarHBondContact CG2-OE2 3.07Å; T115-E316 PolarHBondContact OG1-OE2 3.13Å; T115-Y319 WeakPolarHBondContact O-CD1 3.34Å; T115-Y319 WeakPolarHBondContact O-CE1 3.48Å; T115-I320 HydrophobicContact CG2-CD1 3.7Å; T115-I320 HydrophobicContact CG2-CG1 4.44Å
116	G	88.8	Confident	90.1	Very high	16 Å²	16	54.6 Å²	54.6	17%	0.165	30%	0.303	C	S	.	.			trans	69.7	13.9	-179.7	0	0	0	0	0	113.9	C112 Y319	C112-G116 WeakPolarHBondContact O-CA 3.05Å; C112-G116 PolarHBondContact O-N 2.94Å; G116-Y319 VanDerWaalsContact C-CE1 3.47Å; G116-Y319 VanDerWaalsContact O-CE1 3.26Å; G116-Y319 WeakPolarHBondContact O-CE1 3.25Å; G116-Y319 PolarHBondContact O-OH 3.36Å
117	R	91.9	Very high	90.1	Very high	6 Å²	6	56.2 Å²	56.2	2%	0.023	32%	0.321	C	S	.	.			trans	-69.2	139.8	174.2	-180	168	77.7	176.9	3.6	110.2	C112 T115 D130 D179 M313 L314 E316 Y319	C112-R117 HydrophobicContact CB-CB 4.36Å; C112-R117 PolarHBondContact N-O 3.03Å; C112-R117 PolarHBondContact SG-O 3.49Å; C112-R117 VanDerWaalsContact SG-O 3.39Å; T115-R117 PolarHBondContact O-N 3.28Å; R117-D130 PolarHBondContact NH2-O 3.46Å; R117-D179 IonicContact CZ-OD2 2.76Å; R117-D179 IonicContact NH1-OD2 2.75Å; R117-D179 PolarHBondContact NH1-OD2 3.22Å; R117-D179 IonicContact NH2-OD2 2.67Å; R117-D179 PolarHBondContact NH2-OD2 3.03Å; R117-M313 HydrophobicContact CG-SD 4.24Å; R117-L314 PolarHBondContact NH1-O 2.87Å; R117-E316 IonicContact CZ-OE1 2.63Å; R117-E316 IonicContact NE-OE1 3.86Å; R117-E316 PolarHBondContact NE-OE1 2.91Å; R117-E316 VanDerWaalsContact NH1-CG 3.33Å; R117-E316 IonicContact NH1-OE1 2.72Å; R117-E316 IonicContact NH2-OE1 2.94Å; R117-E316 PolarHBondContact NH2-OE1 2.88Å; R117-Y319 HydrophobicContact CB-CD1 4.5Å
118	C	92.9	Very high	90.1	Very high	19 Å²	19	54.7 Å²	54.7	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.1	179.5	-49.8	0	0	0	0	111.2	C106 F110 H482	C106-C118 WeakPolarHBondContact CA-SG 3.24Å; C106-C118 HydrophobicContact CB-CB 3.73Å; C106-C118 WeakPolarHBondContact CB-SG 3.43Å; C106-C118 WeakPolarHBondContact SG-CA 3.39Å; C106-C118 WeakPolarHBondContact SG-CB 3.42Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 2.98Å; F110-C118 WeakPolarHBondContact O-CA 3.09Å; C118-H482 PolarHBondContact SG-CE1 2.94Å
119	I	93.4	Very high	90.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.2	173.8	66.8	168.4	0	0	0	110.3	S109 F110 Q121 L123 D130 D136 Y182	S109-I119 WeakPolarHBondContact CB-O 2.97Å; F110-I119 HydrophobicContact CB-CG1 3.97Å; F110-I119 HydrophobicContact CD1-CD1 3.85Å; F110-I119 HydrophobicContact CD1-CG1 3.8Å; F110-I119 HydrophobicContact CG-CG1 4.37Å; F110-I119 PolarHBondContact N-O 3.04Å; F110-I119 PolarHBondContact O-N 2.77Å; I119-Q121 PolarHBondContact O-N 2.92Å; I119-L123 HydrophobicContact CB-CD1 4.31Å; I119-L123 HydrophobicContact CD1-CB 4.23Å; I119-D130 HydrophobicContact CD1-CB 3.8Å; I119-D130 HydrophobicContact CG2-CB 4.49Å; I119-D136 HydrophobicContact CD1-CB 3.58Å; I119-Y182 HydrophobicContact CG2-CE2 4.36Å
120	S	92.3	Very high	90.3	Very high	58 Å²	58	46 Å²	46	41%	0.406	26%	0.256	S	S	.	.			trans	-61.5	138.7	178.6	175	0	0	0	0	111	S122 L123	S120-S122 PolarHBondContact O-N 2.03Å; S120-S122 PolarHBondContact OG-N 2.91Å; S120-S122 PolarHBondContact OG-OG 2.78Å; S120-L123 VanDerWaalsContact O-CB 3.29Å; S120-L123 WeakPolarHBondContact O-CB 3.27Å; S120-L123 PolarHBondContact O-N 2.03Å
121	Q	91	Very high	90.3	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-56.7	-26.3	176.2	-165.9	65.9	24.2	0	0	113	I119 L123 R124	I119-Q121 PolarHBondContact O-N 2.92Å; Q121-L123 PolarHBondContact O-N 3.07Å; Q121-R124 PolarHBondContact O-N 3.3Å
122	S	90.4	Very high	90.2	Very high	92 Å²	92	45.6 Å²	45.6	64%	0.643	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-67.3	-13.6	175.6	65.5	0	0	0	0	114.2	S120	S120-S122 PolarHBondContact O-N 2.03Å; S120-S122 PolarHBondContact OG-N 2.91Å; S120-S122 PolarHBondContact OG-OG 2.78Å
123	L	91.4	Very high	90.1	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-91.7	-12.1	-179	-62.7	178.4	0	0	0	112.5	I119 S120 Q121 N126 D130 Y182	I119-L123 HydrophobicContact CB-CD1 4.31Å; I119-L123 HydrophobicContact CD1-CB 4.23Å; S120-L123 VanDerWaalsContact O-CB 3.29Å; S120-L123 WeakPolarHBondContact O-CB 3.27Å; S120-L123 PolarHBondContact O-N 2.03Å; Q121-L123 PolarHBondContact O-N 3.07Å; L123-N126 WeakPolarHBondContact O-CB 3Å; L123-N126 PolarHBondContact O-ND2 2.81Å; L123-N126 VanDerWaalsContact O-ND2 3.07Å; L123-N126 PolarHBondContact O-OD1 2.93Å; L123-D130 HydrophobicContact CB-CB 4.43Å; L123-D130 WeakPolarHBondContact CB-OD2 3.05Å; L123-D130 HydrophobicContact CD1-CB 4.41Å; L123-Y182 HydrophobicContact CD1-CE2 4.3Å
124	R	92.1	Very high	90.3	Very high	96 Å²	96	47.5 Å²	47.5	36%	0.362	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	134.6	177.3	-165.7	-174	171.6	-155.2	-5.9	111.4	Q121 N126 D136	Q121-R124 PolarHBondContact O-N 3.3Å; R124-N126 PolarHBondContact O-N 3.4Å; R124-D136 WeakPolarHBondContact CG-O 2.91Å
125	C	91	Very high	90.7	Very high	18 Å²	18	39.8 Å²	39.8	12%	0.122	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.4	178.4	-54.6	0	0	0	0	113.4	D136 E137 C140 T144	C125-D136 PolarHBondContact N-O 2.92Å; C125-E137 WeakPolarHBondContact CA-OE1 3.41Å; C125-E137 WeakPolarHBondContact CA-OE2 3.32Å; C125-E137 PolarHBondContact N-OE1 3.43Å; C125-C140 WeakPolarHBondContact CA-SG 3.48Å; C125-C140 HydrophobicContact CB-CB 3.71Å; C125-C140 WeakPolarHBondContact CB-SG 3.36Å; C125-C140 VanDerWaalsContact SG-CA 3.55Å; C125-C140 WeakPolarHBondContact SG-CB 3.38Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.36Å; C125-T144 PolarHBondContact O-N 2.02Å
126	N	87.4	Confident	90.9	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.107	22%	0.222	C	C	.	.	S	Bend	trans	-89.5	-4.7	-179.2	75.3	8.4	0	0	0	112.5	L123 R124 E128 D130 E137	L123-N126 WeakPolarHBondContact O-CB 3Å; L123-N126 PolarHBondContact O-ND2 2.81Å; L123-N126 VanDerWaalsContact O-ND2 3.07Å; L123-N126 PolarHBondContact O-OD1 2.93Å; R124-N126 PolarHBondContact O-N 3.4Å; N126-E128 WeakPolarHBondContact OD1-CA 2.99Å; N126-E128 WeakPolarHBondContact OD1-CB 3.18Å; N126-E128 PolarHBondContact OD1-N 3.29Å; N126-E128 PolarHBondContact OD1-O 2.99Å; N126-D130 PolarHBondContact ND2-OD2 2.85Å; N126-E137 PolarHBondContact N-OE1 3.3Å; N126-E137 PolarHBondContact N-OE2 2.79Å; N126-E137 PolarHBondContact OD1-OE1 3.31Å
127	G	86	Confident	91.1	Very high	44 Å²	44	39.9 Å²	39.9	45%	0.454	22%	0.223	S	C	.	.	S	Bend	trans	83.6	12.2	-178.4	0	0	0	0	0	114.7	E137	G127-E137 VanDerWaalsContact CA-OE2 3.27Å; G127-E137 WeakPolarHBondContact CA-OE2 3.32Å; G127-E137 PolarHBondContact N-OE1 2.82Å; G127-E137 PolarHBondContact N-OE2 2.82Å
128	E	86.9	Confident	91	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.154	24%	0.241	C	C	.	.	S	Bend	trans	-135.2	127.3	178.7	176.6	167.5	-146.3	0	0	110	N126 D130 F183 R217	N126-E128 WeakPolarHBondContact OD1-CA 2.99Å; N126-E128 WeakPolarHBondContact OD1-CB 3.18Å; N126-E128 PolarHBondContact OD1-N 3.29Å; N126-E128 PolarHBondContact OD1-O 2.99Å; E128-D130 PolarHBondContact O-N 2.87Å; E128-D130 VanDerWaalsContact O-N 3.09Å; E128-F183 WeakPolarHBondContact OE1-CD2 3.2Å; E128-R217 IonicContact OE1-CZ 3.37Å; E128-R217 IonicContact OE1-NH1 2.82Å; E128-R217 PolarHBondContact OE1-NH1 2.82Å; E128-R217 IonicContact OE1-NH2 3.39Å; E128-R217 PolarHBondContact OE1-NH2 3.28Å; E128-R217 IonicContact OE2-CZ 2.96Å; E128-R217 IonicContact OE2-NH1 2.67Å; E128-R217 IonicContact OE2-NH2 3.66Å; E128-R217 PolarHBondContact OE2-NH2 2.98Å
129	P	89.4	Confident	90.8	Very high	62 Å²	62	49 Å²	49	40%	0.403	27%	0.266	S	S	.	.			trans	-68.7	111	178.6	28.5	-34.7	0	0	0	111	F134	P129-F134 HydrophobicContact CB-CD1 3.55Å; P129-F134 HydrophobicContact CB-CE1 3.59Å; P129-F134 HydrophobicContact CB-CG 4.37Å; P129-F134 HydrophobicContact CB-CZ 4.44Å; P129-F134 HydrophobicContact CG-CD1 4.17Å; P129-F134 HydrophobicContact CG-CE1 3.73Å
130	D	92.6	Very high	90.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.011	28%	0.276	C	S	.	.	S	Bend	trans	-98.1	-7.5	169.7	-73.2	-69.3	0	0	0	111.6	R117 I119 L123 N126 E128 D136 Y182 G184	R117-D130 PolarHBondContact NH2-O 3.46Å; I119-D130 HydrophobicContact CD1-CB 3.8Å; I119-D130 HydrophobicContact CG2-CB 4.49Å; L123-D130 HydrophobicContact CB-CB 4.43Å; L123-D130 WeakPolarHBondContact CB-OD2 3.05Å; L123-D130 HydrophobicContact CD1-CB 4.41Å; N126-D130 PolarHBondContact ND2-OD2 2.85Å; E128-D130 PolarHBondContact O-N 2.87Å; E128-D130 VanDerWaalsContact O-N 3.09Å; D130-D136 WeakPolarHBondContact CA-OD2 3.11Å; D130-D136 WeakPolarHBondContact CB-OD2 3.01Å; D130-D136 PolarHBondContact N-OD2 2.8Å; D130-Y182 HydrophobicContact CB-CD2 4.46Å; D130-Y182 HydrophobicContact CB-CE2 4.22Å; D130-Y182 WeakPolarHBondContact OD1-CE2 3.38Å; D130-G184 PolarHBondContact OD1-N 2.98Å
131	C	93.1	Very high	90.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.3	C	S	.	.	S	Bend	trans	-113.8	142.3	164.6	-60.6	0	0	0	0	111	C112 D133 F134 D136 E316	C112-C131 VanDerWaalsContact CA-SG 3.56Å; C112-C131 HydrophobicContact CB-CB 3.69Å; C112-C131 WeakPolarHBondContact CB-SG 3.39Å; C112-C131 WeakPolarHBondContact SG-CB 3.47Å; C112-C131 CovalentContact SG-SG 2.03Å; C112-C131 PolarHBondContact SG-SG 2.04Å; C131-D133 WeakPolarHBondContact CB-OD1 3.23Å; C131-D133 PolarHBondContact O-N 3.46Å; C131-F134 PolarHBondContact O-N 3.23Å; C131-D136 WeakPolarHBondContact CB-OD1 3.4Å; C131-D136 PolarHBondContact N-OD1 3.19Å; C131-E316 WeakPolarHBondContact CA-OE1 3.46Å
132	D	90.6	Very high	89.6	Confident	68 Å²	68	61.3 Å²	61.3	36%	0.364	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.9	178.8	-76.4	-26.9	0	0	0	112.4	F134 E316	D132-F134 VanDerWaalsContact C-N 3.3Å; D132-F134 WeakPolarHBondContact O-CD2 3.22Å; D132-E316 HydrophobicContact CB-CG 4.4Å; D132-E316 PolarHBondContact N-OE1 3.17Å; D132-E316 WeakPolarHBondContact OD2-CB 3.37Å; D132-E316 WeakPolarHBondContact OD2-CG 3.27Å
133	D	90.7	Very high	88.9	Confident	37 Å²	37	61.5 Å²	61.5	20%	0.198	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.7	176.5	71	-6.5	0	0	0	113.8	K113 E114 C131 S135	K113-D133 WeakPolarHBondContact CA-OD2 3.24Å; K113-D133 WeakPolarHBondContact CB-OD2 3.44Å; K113-D133 PolarHBondContact N-OD2 2.84Å; E114-D133 HydrophobicContact CB-CB 4.21Å; E114-D133 HydrophobicContact CG-CB 4.05Å; E114-D133 PolarHBondContact N-OD2 3.44Å; C131-D133 WeakPolarHBondContact CB-OD1 3.23Å; C131-D133 PolarHBondContact O-N 3.46Å; D133-S135 VanDerWaalsContact CG-OG 3.25Å; D133-S135 PolarHBondContact O-N 2.84Å; D133-S135 VanDerWaalsContact O-N 3.11Å; D133-S135 WeakPolarHBondContact OD1-CB 3.5Å; D133-S135 PolarHBondContact OD1-N 3.39Å; D133-S135 PolarHBondContact OD1-OG 2.87Å; D133-S135 WeakPolarHBondContact OD2-CB 3.14Å; D133-S135 PolarHBondContact OD2-OG 3Å
134	F	91.4	Very high	88.1	Confident	128 Å²	128	66.1 Å²	66.1	56%	0.561	34%	0.338	S	S	*	.			trans	58.2	16.6	-176.9	-58.9	-98.9	0	0	0	114.4	P129 C131 D132 D136 E137 D138	P129-F134 HydrophobicContact CB-CD1 3.55Å; P129-F134 HydrophobicContact CB-CE1 3.59Å; P129-F134 HydrophobicContact CB-CG 4.37Å; P129-F134 HydrophobicContact CB-CZ 4.44Å; P129-F134 HydrophobicContact CG-CD1 4.17Å; P129-F134 HydrophobicContact CG-CE1 3.73Å; C131-F134 PolarHBondContact O-N 3.23Å; D132-F134 VanDerWaalsContact C-N 3.3Å; D132-F134 WeakPolarHBondContact O-CD2 3.22Å; F134-D136 PolarHBondContact O-N 2.81Å; F134-E137 PolarHBondContact O-N 3Å; F134-E137 VanDerWaalsContact O-N 3.09Å; F134-D138 PolarHBondContact O-N 2.89Å
135	S	93.6	Very high	86.9	Confident	5 Å²	5	68.8 Å²	68.8	4%	0.035	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.8	-173.6	58.1	0	0	0	0	114.4	F110 C112 K113 D133 E137	F110-S135 WeakPolarHBondContact CZ-O 3.02Å; C112-S135 WeakPolarHBondContact CA-OG 2.95Å; K113-S135 PolarHBondContact N-OG 2.03Å; K113-S135 VanDerWaalsContact N-OG 3.07Å; D133-S135 VanDerWaalsContact CG-OG 3.25Å; D133-S135 PolarHBondContact O-N 2.84Å; D133-S135 VanDerWaalsContact O-N 3.11Å; D133-S135 WeakPolarHBondContact OD1-CB 3.5Å; D133-S135 PolarHBondContact OD1-N 3.39Å; D133-S135 PolarHBondContact OD1-OG 2.87Å; D133-S135 WeakPolarHBondContact OD2-CB 3.14Å; D133-S135 PolarHBondContact OD2-OG 3Å; S135-E137 VanDerWaalsContact C-N 3.31Å
136	D	92.1	Very high	85.8	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.7	173.9	60.1	-49.2	0	0	0	113.4	F110 I119 R124 C125 D130 C131 F134	F110-D136 HydrophobicContact CD1-CB 4.13Å; F110-D136 HydrophobicContact CE1-CB 3.79Å; I119-D136 HydrophobicContact CD1-CB 3.58Å; R124-D136 WeakPolarHBondContact CG-O 2.91Å; C125-D136 PolarHBondContact N-O 2.92Å; D130-D136 WeakPolarHBondContact CA-OD2 3.11Å; D130-D136 WeakPolarHBondContact CB-OD2 3.01Å; D130-D136 PolarHBondContact N-OD2 2.8Å; C131-D136 WeakPolarHBondContact CB-OD1 3.4Å; C131-D136 PolarHBondContact N-OD1 3.19Å; F134-D136 PolarHBondContact O-N 2.81Å
137	E	92.3	Very high	84.7	Confident	38 Å²	38	83 Å²	83	18%	0.178	41%	0.413	C	S	.	.	S	Bend	trans	-104	7.9	177	-63.4	-58.3	124.4	0	0	112.9	C125 N126 G127 F134 S135 C140	C125-E137 WeakPolarHBondContact CA-OE1 3.41Å; C125-E137 WeakPolarHBondContact CA-OE2 3.32Å; C125-E137 PolarHBondContact N-OE1 3.43Å; N126-E137 PolarHBondContact N-OE1 3.3Å; N126-E137 PolarHBondContact N-OE2 2.79Å; N126-E137 PolarHBondContact OD1-OE1 3.31Å; G127-E137 VanDerWaalsContact CA-OE2 3.27Å; G127-E137 WeakPolarHBondContact CA-OE2 3.32Å; G127-E137 PolarHBondContact N-OE1 2.82Å; G127-E137 PolarHBondContact N-OE2 2.82Å; F134-E137 PolarHBondContact O-N 3Å; F134-E137 VanDerWaalsContact O-N 3.09Å; S135-E137 VanDerWaalsContact C-N 3.31Å; E137-C140 VanDerWaalsContact C-SG 3.51Å; E137-C140 PolarHBondContact O-SG 3.42Å
138	D	91.1	Very high	84.1	Confident	74 Å²	74	82.5 Å²	82.5	40%	0.396	40%	0.4	S	S	.	.	S	Bend	trans	-91.4	151.4	176.9	-169.2	23.7	0	0	0	111.9	K113 F134 C140	K113-D138 IonicContact NZ-OD2 3.58Å; K113-D138 PolarHBondContact NZ-OD2 2.87Å; F134-D138 PolarHBondContact O-N 2.89Å; D138-C140 VanDerWaalsContact C-N 3.27Å; D138-C140 PolarHBondContact O-N 2.81Å
139	E	88.5	Confident	83.5	Confident	143 Å²	143	89.4 Å²	89.4	67%	0.668	43%	0.43	S	S	*	.	S	Bend	trans	52.9	39.7	-179.5	-60.6	176.3	-162.6	0	0	114.1	K113	K113-E139 IonicContact NZ-OE1 3.56Å
140	C	87.6	Confident	83.1	Confident	32 Å²	32	86.4 Å²	86.4	22%	0.216	41%	0.41	C	S	.	.			trans	-90.1	111.7	179.6	-63.6	0	0	0	0	112.5	C125 E137 D138 R142 I143	C125-C140 WeakPolarHBondContact CA-SG 3.48Å; C125-C140 HydrophobicContact CB-CB 3.71Å; C125-C140 WeakPolarHBondContact CB-SG 3.36Å; C125-C140 VanDerWaalsContact SG-CA 3.55Å; C125-C140 WeakPolarHBondContact SG-CB 3.38Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.36Å; E137-C140 VanDerWaalsContact C-SG 3.51Å; E137-C140 PolarHBondContact O-SG 3.42Å; D138-C140 VanDerWaalsContact C-N 3.27Å; D138-C140 PolarHBondContact O-N 2.81Å; C140-R142 VanDerWaalsContact C-N 3.26Å; C140-R142 PolarHBondContact O-N 3.28Å; C140-I143 HydrophobicContact CB-CG1 4.21Å
141	D	83.4	Confident	82.1	Confident	170 Å²	170	90.4 Å²	90.4	91%	0.909	44%	0.438	S	S	*	.	S	Bend	trans	-63.8	-32.7	173.5	-73.5	-32.2	0	0	0	112.5
142	R	79.3	Confident	81.5	Confident	215 Å²	215	96 Å²	96	81%	0.811	47%	0.472	S	S	*	.	S	Bend	trans	-146.5	122.5	176.3	-67.6	-175.2	176.4	-178.8	-1.9	109.6	C140	C140-R142 VanDerWaalsContact C-N 3.26Å; C140-R142 PolarHBondContact O-N 3.28Å
143	I	77.8	Confident	81.3	Confident	95 Å²	95	94.2 Å²	94.2	49%	0.487	46%	0.463	S	S	.	.			trans	-81.7	118.9	171.3	-57.3	173.3	0	0	0	107.4	C140 Q145	C140-I143 HydrophobicContact CB-CG1 4.21Å; I143-Q145 VanDerWaalsContact C-N 3.25Å; I143-Q145 HydrophobicContact CG2-CG 3.83Å; I143-Q145 PolarHBondContact O-N 2.98Å; I143-Q145 VanDerWaalsContact O-N 3.1Å
144	T	72.6	Confident	81.2	Confident	107 Å²	107	96.8 Å²	96.8	66%	0.656	48%	0.476	S	S	*	.			trans	-86.7	74.6	174.5	-50.4	0	0	0	0	107.8	C125 R146	C125-T144 PolarHBondContact O-N 2.02Å; T144-R146 PolarHBondContact O-N 3.33Å; T144-R146 VanDerWaalsContact O-N 3.15Å
145	Q	68.2	Low	81.2	Confident	151 Å²	151	93.5 Å²	93.5	71%	0.706	47%	0.467	S	S	*	.			trans	-57.7	123.8	178.3	-78.6	-172.3	-17.7	0	0	109.5	I143 E147	I143-Q145 VanDerWaalsContact C-N 3.25Å; I143-Q145 HydrophobicContact CG2-CG 3.83Å; I143-Q145 PolarHBondContact O-N 2.98Å; I143-Q145 VanDerWaalsContact O-N 3.1Å; Q145-E147 PolarHBondContact O-N 2.57Å
146	R	67.1	Low	81.2	Confident	129 Å²	129	93.4 Å²	93.4	49%	0.487	47%	0.466	S	S	.	.			trans	-68.7	119.8	171	-111.1	176.6	166.8	-159.8	13.9	109.5	T144 D148 G185	T144-R146 PolarHBondContact O-N 3.33Å; T144-R146 VanDerWaalsContact O-N 3.15Å; R146-D148 WeakPolarHBondContact CD-OD2 3.28Å; R146-D148 IonicContact NH1-OD2 3.94Å; R146-D148 PolarHBondContact NH1-OD2 3.36Å; R146-D148 PolarHBondContact O-N 3.01Å; R146-G185 PolarHBondContact NH1-O 2.72Å; R146-G185 PolarHBondContact NH2-O 3.42Å
147	E	65.8	Low	81.2	Confident	208 Å²	208	94 Å²	94	97%	0.972	47%	0.47	S	S	*	.			trans	-74.7	56.3	167	-64.1	-173.7	174	0	0	110.4	Q145	Q145-E147 PolarHBondContact O-N 2.57Å
148	D	71.6	Confident	81.1	Confident	34 Å²	34	92.9 Å²	92.9	18%	0.182	47%	0.469	C	S	.	.			trans	-109.5	156.9	173.2	77.2	31.2	0	0	0	111.6	R146 C150 S151 C187	R146-D148 WeakPolarHBondContact CD-OD2 3.28Å; R146-D148 IonicContact NH1-OD2 3.94Å; R146-D148 PolarHBondContact NH1-OD2 3.36Å; R146-D148 PolarHBondContact O-N 3.01Å; D148-C150 PolarHBondContact O-N 3.21Å; D148-C150 WeakPolarHBondContact OD1-CB 3.42Å; D148-C150 PolarHBondContact OD1-N 2.83Å; D148-S151 PolarHBondContact O-OG 3.47Å; D148-S151 PolarHBondContact OD1-N 3.08Å; D148-C187 HydrophobicContact CB-CB 4.35Å; D148-C187 WeakPolarHBondContact OD2-CB 3.48Å
149	K	74.8	Confident	81.2	Confident	177 Å²	177	89.6 Å²	89.6	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.2	-179.9	-66.6	-173.1	178.3	-176	0	112.7	L153	K149-L153 WeakPolarHBondContact O-CG 3.28Å
150	C	80.4	Confident	81.4	Confident	0 Å²	0	87.8 Å²	87.8	0%	0	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-25.5	-169.3	-76.3	0	0	0	0	113.4	D148 T152 L153 C187 R217	D148-C150 PolarHBondContact O-N 3.21Å; D148-C150 WeakPolarHBondContact OD1-CB 3.42Å; D148-C150 PolarHBondContact OD1-N 2.83Å; C150-T152 PolarHBondContact O-N 3.23Å; C150-T152 VanDerWaalsContact O-N 3.12Å; C150-L153 PolarHBondContact O-N 3.24Å; C150-C187 HydrophobicContact CB-CB 3.7Å; C150-C187 WeakPolarHBondContact CB-SG 3.5Å; C150-C187 VanDerWaalsContact SG-C 3.54Å; C150-C187 WeakPolarHBondContact SG-CA 3.36Å; C150-C187 WeakPolarHBondContact SG-CB 3.35Å; C150-C187 CovalentContact SG-SG 2.02Å; C150-C187 PolarHBondContact SG-SG 2.84Å; C150-R217 HydrophobicContact CB-CG 4.24Å; C150-R217 WeakPolarHBondContact O-CD 3.34Å; C150-R217 PolarHBondContact O-NH1 3.25Å
151	S	72.9	Confident	81.5	Confident	85 Å²	85	91.3 Å²	91.3	59%	0.594	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.9	178.3	54.6	0	0	0	0	114	D148	D148-S151 PolarHBondContact O-OG 3.47Å; D148-S151 PolarHBondContact OD1-N 3.08Å
152	T	79.4	Confident	81.9	Confident	119 Å²	119	83.3 Å²	83.3	73%	0.73	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-3.8	178.6	63.8	0	0	0	0	114	C150	C150-T152 PolarHBondContact O-N 3.23Å; C150-T152 VanDerWaalsContact O-N 3.12Å
153	L	86.4	Confident	82.7	Confident	32 Å²	32	73.1 Å²	73.1	17%	0.168	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-83.9	136.2	-176.7	-64.9	-179.3	0	0	0	111.3	K149 C150 Y189 N215 R217	K149-L153 WeakPolarHBondContact O-CG 3.28Å; C150-L153 PolarHBondContact O-N 3.24Å; L153-Y189 HydrophobicContact CD1-CG 4.39Å; L153-N215 HydrophobicContact CD1-CB 4.07Å; L153-N215 HydrophobicContact CD2-CB 4.19Å; L153-R217 HydrophobicContact CB-CB 3.93Å
154	I	89.1	Confident	83.5	Confident	90 Å²	90	70 Å²	70	46%	0.462	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.4	139.4	174	-54.4	169.5	0	0	0	108.9	Y216 R217	I154-Y216 HydrophobicContact CB-CD1 4.25Å; I154-Y216 HydrophobicContact CB-CE1 4.47Å; I154-Y216 HydrophobicContact CG2-CD1 4.46Å; I154-Y216 CarbonylContact O-C 3.56Å; I154-Y216 VanDerWaalsContact O-CA 3.26Å; I154-Y216 WeakPolarHBondContact O-CA 3.48Å; I154-R217 PolarHBondContact O-N 3.08Å
155	P	91.9	Very high	84.6	Confident	60 Å²	60	64.9 Å²	64.9	39%	0.39	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-60	158.8	173.9	-21.8	32.4	0	0	0	112.9	F183 Y216 R217	P155-F183 HydrophobicContact CB-CZ 4.47Å; P155-F183 HydrophobicContact CG-CZ 4.21Å; P155-Y216 WeakPolarHBondContact O-CD1 3.49Å; P155-R217 CarbonylContact C-O 3.47Å; P155-R217 VanDerWaalsContact CA-O 3.31Å; P155-R217 WeakPolarHBondContact CA-O 3.37Å
156	I	93.4	Very high	85.6	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-53.8	134.2	174	56.9	179	0	0	0	111.4	G158 A159 V190 R217 P219 Y222 Y225	I156-G158 PolarHBondContact O-N 3.02Å; I156-A159 HydrophobicContact CG1-CB 3.96Å; I156-A159 PolarHBondContact O-N 3.26Å; I156-V190 HydrophobicContact CG2-CG2 4.16Å; I156-R217 PolarHBondContact N-O 2.81Å; I156-P219 HydrophobicContact CG1-CG 4.34Å; I156-Y222 HydrophobicContact CD1-CD1 3.73Å; I156-Y222 HydrophobicContact CD1-CD2 3.89Å; I156-Y222 HydrophobicContact CD1-CE1 3.96Å; I156-Y222 HydrophobicContact CD1-CE2 4.12Å; I156-Y222 HydrophobicContact CD1-CG 3.69Å; I156-Y225 HydrophobicContact CB-CD1 4.35Å; I156-Y225 HydrophobicContact CB-CD2 4.4Å; I156-Y225 HydrophobicContact CB-CE1 4.3Å; I156-Y225 HydrophobicContact CB-CE2 4.34Å; I156-Y225 HydrophobicContact CB-CG 4.41Å; I156-Y225 HydrophobicContact CD1-CD2 3.54Å; I156-Y225 HydrophobicContact CD1-CE2 4.02Å; I156-Y225 HydrophobicContact CD1-CG 3.91Å; I156-Y225 HydrophobicContact CG1-CD2 4.43Å; I156-Y225 HydrophobicContact CG2-CD1 4Å; I156-Y225 HydrophobicContact CG2-CE1 4.33Å; I156-Y225 HydrophobicContact CG2-CG 4.17Å
157	P	91	Very high	86.6	Confident	12 Å²	12	53.2 Å²	53.2	8%	0.078	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	133.1	177.8	-26.7	35.7	0	0	0	112.2	A159 Y216 Y225 F227 K457 P460	P157-A159 VanDerWaalsContact C-N 3.33Å; P157-A159 PolarHBondContact O-N 3.2Å; P157-Y216 HydrophobicContact CG-CD1 4.26Å; P157-Y216 HydrophobicContact CG-CE1 3.94Å; P157-Y225 PolarHBondContact O-OH 3.43Å; P157-F227 HydrophobicContact CG-CZ 4.48Å; P157-K457 WeakPolarHBondContact CB-O 3.47Å; P157-K457 WeakPolarHBondContact CG-O 3Å; P157-P460 HydrophobicContact CB-CG 4.04Å
158	G	90.4	Very high	87.5	Confident	14 Å²	14	45 Å²	45	14%	0.144	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	14.1	179.5	0	0	0	0	0	115.4	I156 E160 R161 G162 M351	I156-G158 PolarHBondContact O-N 3.02Å; G158-E160 PolarHBondContact O-N 2.83Å; G158-R161 WeakPolarHBondContact O-CB 3.5Å; G158-R161 PolarHBondContact O-N 2.82Å; G158-G162 PolarHBondContact O-N 2.96Å; G158-M351 WeakPolarHBondContact O-CE 3.49Å
159	A	93.1	Very high	87.8	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-47	-48.5	171.3	0	0	0	0	0	111.6	I156 P157 R161 G162 T163 P180 P219 Y222	I156-A159 HydrophobicContact CG1-CB 3.96Å; I156-A159 PolarHBondContact O-N 3.26Å; P157-A159 VanDerWaalsContact C-N 3.33Å; P157-A159 PolarHBondContact O-N 3.2Å; A159-R161 PolarHBondContact O-N 2.92Å; A159-R161 VanDerWaalsContact O-N 3.17Å; A159-G162 PolarHBondContact O-N 2.89Å; A159-T163 PolarHBondContact O-N 3.24Å; A159-T163 PolarHBondContact O-OG1 2.8Å; A159-P180 HydrophobicContact CB-CB 4.16Å; A159-P219 HydrophobicContact CB-CG 4.13Å; A159-Y222 WeakPolarHBondContact CA-OH 3.31Å; A159-Y222 HydrophobicContact CB-CE2 4.27Å; A159-Y222 PolarHBondContact O-OH 2.59Å
160	E	92.5	Very high	87.9	Confident	105 Å²	105	36.9 Å²	36.9	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-25.8	179	-60.2	-177.5	169.8	0	0	113.6	G158 T163 Q164 Q176 P180	G158-E160 PolarHBondContact O-N 2.83Å; E160-T163 PolarHBondContact O-OG1 2.75Å; E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q176 PolarHBondContact O-NE2 3.05Å; E160-Q176 PolarHBondContact O-OE1 3.1Å; E160-P180 HydrophobicContact CG-CB 4.1Å; E160-P180 HydrophobicContact CG-CG 4Å
161	R	91.4	Very high	87.8	Confident	106 Å²	106	38 Å²	38	40%	0.4	21%	0.213	S	C	.	.	H	α-helix	trans	-78.3	-37.2	-179.9	-59.7	-58.8	-174.5	-176	-5	111.6	G158 A159 T163 L462	G158-R161 WeakPolarHBondContact O-CB 3.5Å; G158-R161 PolarHBondContact O-N 2.82Å; A159-R161 PolarHBondContact O-N 2.92Å; A159-R161 VanDerWaalsContact O-N 3.17Å; R161-T163 VanDerWaalsContact C-N 3.27Å; R161-T163 PolarHBondContact O-N 3.49Å; R161-L462 HydrophobicContact CB-CD1 3.53Å; R161-L462 WeakPolarHBondContact O-CD1 3.24Å
162	G	91.9	Very high	88.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-75	-18.7	-178.4	0	0	0	0	0	113.6	G158 A159 Y222 M307	G158-G162 PolarHBondContact O-N 2.96Å; A159-G162 PolarHBondContact O-N 2.89Å; G162-Y222 WeakPolarHBondContact CA-OH 3.43Å; G162-M307 VanDerWaalsContact C-CE 3.43Å; G162-M307 WeakPolarHBondContact O-CE 3.5Å
163	T	95.9	Very high	88.5	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.6	-177.9	52.2	0	0	0	0	114.2	A159 E160 R161 Q176 V177 L178 P180 Y222 M307	A159-T163 PolarHBondContact O-N 3.24Å; A159-T163 PolarHBondContact O-OG1 2.8Å; E160-T163 PolarHBondContact O-OG1 2.75Å; R161-T163 VanDerWaalsContact C-N 3.27Å; R161-T163 PolarHBondContact O-N 3.49Å; T163-Q176 PolarHBondContact O-OE1 2.99Å; T163-Q176 PolarHBondContact OG1-OE1 2.65Å; T163-V177 PolarHBondContact O-N 2.99Å; T163-L178 VanDerWaalsContact CB-O 3.29Å; T163-L178 WeakPolarHBondContact CB-O 3.39Å; T163-L178 HydrophobicContact CG2-CB 3.86Å; T163-L178 PolarHBondContact O-N 2.72Å; T163-L178 VanDerWaalsContact O-N 3.17Å; T163-P180 HydrophobicContact CG2-CB 4.04Å; T163-Y222 HydrophobicContact CG2-CE2 3.99Å; T163-M307 HydrophobicContact CG2-CE 4.14Å
164	Q	94.6	Very high	88.7	Confident	29 Å²	29	30.9 Å²	30.9	14%	0.136	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	149.4	176	-58.8	-167.8	-98.5	0	0	111.7	E160 F173 M174	E160-Q164 WeakPolarHBondContact O-CG 3.41Å; Q164-F173 HydrophobicContact CB-CB 4.33Å; Q164-F173 HydrophobicContact CB-CD1 4.07Å; Q164-M174 WeakPolarHBondContact CB-O 3.11Å; Q164-M174 PolarHBondContact NE2-O 3.31Å
165	G	94.1	Very high	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	166.6	166.6	0	0	0	0	0	112.7	F173 M174 D175 F341 H344	G165-F173 CarbonylContact O-C 3.46Å; G165-F173 WeakPolarHBondContact O-CA 3.26Å; G165-M174 PolarHBondContact O-N 2.89Å; G165-D175 PolarHBondContact N-O 3.45Å; G165-F341 VanDerWaalsContact CA-O 3.27Å; G165-F341 WeakPolarHBondContact CA-O 3.27Å; G165-H344 CarbonylContact C-O 3.45Å; G165-H344 WeakPolarHBondContact CA-O 2.97Å
166	Y	90.9	Very high	89.1	Confident	35 Å²	35	29.8 Å²	29.8	14%	0.137	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.7	-175.7	-175.5	-104.6	0	0	0	111.3	L168 G171 F173 T343 H344 F465 I467	Y166-L168 HydrophobicContact CE1-CD1 4.4Å; Y166-G171 WeakPolarHBondContact CE2-O 3.42Å; Y166-G171 WeakPolarHBondContact OH-CA 3.3Å; Y166-F173 HydrophobicContact CD2-CD1 4.12Å; Y166-F173 HydrophobicContact CD2-CE1 4.04Å; Y166-F173 HydrophobicContact CD2-CG 4.4Å; Y166-F173 HydrophobicContact CD2-CZ 4.26Å; Y166-T343 PolarHBondContact O-N 3.43Å; Y166-T343 PolarHBondContact O-OG1 2.94Å; Y166-T343 VanDerWaalsContact O-OG1 3.1Å; Y166-H344 PolarHBondContact N-O 3.05Å; Y166-H344 PolarHBondContact O-N 3.01Å; Y166-F465 HydrophobicContact CD1-CE2 4.44Å; Y166-F465 HydrophobicContact CD2-CE2 4.07Å; Y166-F465 HydrophobicContact CD2-CZ 4.11Å; Y166-F465 HydrophobicContact CE1-CE2 4.36Å; Y166-F465 HydrophobicContact CE2-CE2 4.01Å; Y166-F465 AromaticContact CE2-CZ 3.71Å; Y166-F465 HydrophobicContact CE2-CZ 3.71Å; Y166-F465 HydrophobicContact CG-CE2 4.29Å; Y166-I467 HydrophobicContact CD1-CD1 3.76Å; Y166-I467 HydrophobicContact CD1-CG2 4.32Å; Y166-I467 HydrophobicContact CE1-CD1 3.99Å
167	N	87.3	Confident	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.6	175.8	-166.3	-41.1	0	0	0	110.7	L169 G171 D172 M174 Y497	N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.76Å; N167-L169 PolarHBondContact OD1-N 3.37Å; N167-L169 VanDerWaalsContact OD1-N 3.1Å; N167-G171 WeakPolarHBondContact O-CA 3.32Å; N167-G171 PolarHBondContact O-N 3.1Å; N167-D172 PolarHBondContact N-O 2.86Å; N167-M174 HydrophobicContact CB-CE 3.29Å; N167-M174 HydrophobicContact CB-CG 4.09Å; N167-Y497 PolarHBondContact ND2-OH 3.44Å
168	L	84.2	Confident	89.6	Confident	35 Å²	35	29.2 Å²	29.2	18%	0.183	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.1	-174.9	-174.1	66	0	0	0	113.1	Y166 V260 T343 I467 L498	Y166-L168 HydrophobicContact CE1-CD1 4.4Å; L168-V260 HydrophobicContact CD2-CG2 4.43Å; L168-T343 PolarHBondContact N-OG1 2.87Å; L168-I467 HydrophobicContact CD1-CD1 4.28Å; L168-L498 HydrophobicContact CB-CD2 4.27Å; L168-L498 HydrophobicContact CD2-CD1 4.37Å; L168-L498 HydrophobicContact CD2-CD2 4.35Å
169	L	78.8	Confident	89.9	Confident	25 Å²	25	28.6 Å²	28.6	13%	0.131	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-42.6	-176.8	-65.1	177.9	0	0	0	112.3	N167 A265 Y497 L498 F501	N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.76Å; N167-L169 PolarHBondContact OD1-N 3.37Å; N167-L169 VanDerWaalsContact OD1-N 3.1Å; L169-A265 HydrophobicContact CB-CB 4.38Å; L169-Y497 HydrophobicContact CD1-CD1 4.16Å; L169-Y497 HydrophobicContact CD1-CE1 3.86Å; L169-L498 HydrophobicContact CD1-CD2 4.18Å; L169-L498 HydrophobicContact CD2-CD2 3.92Å; L169-L498 HydrophobicContact CG-CD2 3.71Å; L169-F501 HydrophobicContact CD1-CB 3.34Å
170	T	76.4	Confident	90	Very high	15 Å²	15	28.7 Å²	28.7	9%	0.092	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-20	-178.5	64.9	0	0	0	0	112.6	D172 A265 V267	T170-D172 PolarHBondContact O-N 2.82Å; T170-D172 WeakPolarHBondContact OG1-CB 3.43Å; T170-D172 PolarHBondContact OG1-N 2.88Å; T170-D172 PolarHBondContact OG1-OD2 2.72Å; T170-A265 WeakPolarHBondContact CA-O 3.46Å; T170-V267 HydrophobicContact CG2-CB 3.82Å; T170-V267 HydrophobicContact CG2-CG2 3.7Å
171	G	78.6	Confident	90	Very high	24 Å²	24	29.7 Å²	29.7	25%	0.247	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	16.1	-174.4	0	0	0	0	0	113.6	Y166 N167	Y166-G171 WeakPolarHBondContact CE2-O 3.42Å; Y166-G171 WeakPolarHBondContact OH-CA 3.3Å; N167-G171 WeakPolarHBondContact O-CA 3.32Å; N167-G171 PolarHBondContact O-N 3.1Å
172	D	80.1	Confident	90.1	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.064	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.6	-174.6	-71.5	-49.3	0	0	0	113	N167 T170 M174 N274 E276 S277	N167-D172 PolarHBondContact N-O 2.86Å; T170-D172 PolarHBondContact O-N 2.82Å; T170-D172 WeakPolarHBondContact OG1-CB 3.43Å; T170-D172 PolarHBondContact OG1-N 2.88Å; T170-D172 PolarHBondContact OG1-OD2 2.72Å; D172-M174 HydrophobicContact CB-CE 4.16Å; D172-N274 HydrophobicContact CB-CB 4.11Å; D172-N274 WeakPolarHBondContact CB-ND2 3.43Å; D172-N274 VanDerWaalsContact CG-CB 3.45Å; D172-N274 VanDerWaalsContact OD1-CB 3.29Å; D172-N274 WeakPolarHBondContact OD1-CB 3.44Å; D172-E276 WeakPolarHBondContact OD1-CB 3.28Å; D172-S277 PolarHBondContact OD2-OG 3.18Å
173	F	86.2	Confident	90.2	Very high	50 Å²	50	26.3 Å²	26.3	22%	0.219	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.4	165.9	-72.2	-78.9	0	0	0	110.7	Q164 G165 Y166 N274 V346 L462 F465	Q164-F173 HydrophobicContact CB-CB 4.33Å; Q164-F173 HydrophobicContact CB-CD1 4.07Å; G165-F173 CarbonylContact O-C 3.46Å; G165-F173 WeakPolarHBondContact O-CA 3.26Å; Y166-F173 HydrophobicContact CD2-CD1 4.12Å; Y166-F173 HydrophobicContact CD2-CE1 4.04Å; Y166-F173 HydrophobicContact CD2-CG 4.4Å; Y166-F173 HydrophobicContact CD2-CZ 4.26Å; F173-N274 PolarHBondContact O-ND2 3.34Å; F173-V346 HydrophobicContact CE1-CG2 3.89Å; F173-L462 HydrophobicContact CE1-CD2 3.9Å; F173-L462 HydrophobicContact CE2-CB 4.28Å; F173-L462 HydrophobicContact CZ-CB 3.86Å; F173-L462 HydrophobicContact CZ-CD2 3.78Å; F173-L462 HydrophobicContact CZ-CG 4.43Å; F173-F465 HydrophobicContact CE1-CZ 4.47Å; F173-F465 HydrophobicContact CE2-CE1 4.06Å; F173-F465 HydrophobicContact CE2-CZ 4.2Å; F173-F465 HydrophobicContact CZ-CD1 4.03Å; F173-F465 AromaticContact CZ-CE1 3.6Å; F173-F465 HydrophobicContact CZ-CE1 3.6Å; F173-F465 HydrophobicContact CZ-CE2 4.13Å; F173-F465 HydrophobicContact CZ-CG 4.49Å; F173-F465 AromaticContact CZ-CZ 3.66Å; F173-F465 HydrophobicContact CZ-CZ 3.66Å
174	M	90.2	Very high	89.9	Confident	24 Å²	24	27 Å²	27	12%	0.118	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-164.1	-171.8	-64.3	-57.6	-179.4	0	0	110.4	Q164 G165 N167 D172 T340	Q164-M174 WeakPolarHBondContact CB-O 3.11Å; Q164-M174 PolarHBondContact NE2-O 3.31Å; G165-M174 PolarHBondContact O-N 2.89Å; N167-M174 HydrophobicContact CB-CE 3.29Å; N167-M174 HydrophobicContact CB-CG 4.09Å; D172-M174 HydrophobicContact CB-CE 4.16Å; M174-T340 WeakPolarHBondContact CB-O 3.17Å
175	D	93.9	Very high	89.5	Confident	92 Å²	92	26 Å²	26	49%	0.492	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	167.5	178.8	-68.4	-10	0	0	0	112.2	G165 V177 T340 F341	G165-D175 PolarHBondContact N-O 3.45Å; D175-V177 PolarHBondContact O-N 3.39Å; D175-T340 HydrophobicContact CB-CG2 4.46Å; D175-T340 PolarHBondContact N-O 3.3Å; D175-T340 VanDerWaalsContact OD2-CG2 3.25Å; D175-T340 WeakPolarHBondContact OD2-CG2 3.31Å; D175-F341 HydrophobicContact CB-CD1 3.72Å; D175-F341 HydrophobicContact CB-CE1 3.92Å
176	Q	95.8	Very high	89.2	Confident	36 Å²	36	29.4 Å²	29.4	17%	0.168	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.1	-177	-61.8	-62.4	-14.8	0	0	111.2	E160 T163 H315	E160-Q176 PolarHBondContact O-NE2 3.05Å; E160-Q176 PolarHBondContact O-OE1 3.1Å; T163-Q176 PolarHBondContact O-OE1 2.99Å; T163-Q176 PolarHBondContact OG1-OE1 2.65Å; Q176-H315 HydrophobicContact CB-CB 3.97Å; Q176-H315 VanDerWaalsContact CB-CD2 3.4Å; Q176-H315 WeakPolarHBondContact CB-CD2 3.21Å
177	V	97.3	Very high	89.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.			trans	-106.3	-45.8	176.3	175.1	0	0	0	0	110.3	T163 D175 L314 H315 F318 F341 I470 A473	T163-V177 PolarHBondContact O-N 2.99Å; D175-V177 PolarHBondContact O-N 3.39Å; V177-L314 WeakPolarHBondContact O-CA 3.35Å; V177-H315 PolarHBondContact O-N 3.21Å; V177-F318 HydrophobicContact CB-CD2 4.26Å; V177-F318 HydrophobicContact CB-CE2 4.42Å; V177-F318 HydrophobicContact CG1-CD2 4.13Å; V177-F318 HydrophobicContact CG1-CE1 4.35Å; V177-F318 HydrophobicContact CG1-CE2 3.94Å; V177-F318 HydrophobicContact CG1-CG 4.45Å; V177-F318 HydrophobicContact CG1-CZ 4.03Å; V177-F318 HydrophobicContact CG2-CD2 4.01Å; V177-F318 HydrophobicContact CG2-CE2 4.04Å; V177-F341 HydrophobicContact CG2-CB 4.32Å; V177-I470 HydrophobicContact CG1-CD1 4.46Å; V177-I470 HydrophobicContact CG1-CG1 4.17Å; V177-I470 HydrophobicContact CG2-CD1 3.76Å; V177-I470 HydrophobicContact CG2-CG1 4.31Å; V177-A473 HydrophobicContact CG1-CB 4.11Å
178	L	97.6	Very high	89.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-99.9	152.8	175.1	-60.4	-178.3	0	0	0	109.6	T163 P180 M307 L312 L314 Y345	T163-L178 VanDerWaalsContact CB-O 3.29Å; T163-L178 WeakPolarHBondContact CB-O 3.39Å; T163-L178 HydrophobicContact CG2-CB 3.86Å; T163-L178 PolarHBondContact O-N 2.72Å; T163-L178 VanDerWaalsContact O-N 3.17Å; L178-P180 VanDerWaalsContact O-CD 3.3Å; L178-P180 WeakPolarHBondContact O-CD 3.41Å; L178-M307 HydrophobicContact CD1-CE 4.45Å; L178-M307 HydrophobicContact CD1-CG 4.48Å; L178-L312 HydrophobicContact CD1-CD2 4.13Å; L178-L312 HydrophobicContact CD2-CB 3.99Å; L178-L312 HydrophobicContact CD2-CD1 4.22Å; L178-L312 HydrophobicContact CD2-CD2 4.31Å; L178-L312 HydrophobicContact CD2-CG 4.41Å; L178-L314 HydrophobicContact CD2-CD2 4.13Å; L178-Y345 HydrophobicContact CD1-CD2 4.31Å
179	D	96.6	Very high	89.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.011	19%	0.193	C	C	.	.			trans	-79.3	119.9	176.5	-167.1	-37.6	0	0	0	110.9	R117 K181 Y182 N221 M313	R117-D179 IonicContact CZ-OD2 2.76Å; R117-D179 IonicContact NH1-OD2 2.75Å; R117-D179 PolarHBondContact NH1-OD2 3.22Å; R117-D179 IonicContact NH2-OD2 2.67Å; R117-D179 PolarHBondContact NH2-OD2 3.03Å; D179-K181 WeakPolarHBondContact OD1-CA 3.47Å; D179-K181 PolarHBondContact OD1-N 3.31Å; D179-Y182 PolarHBondContact OD1-N 3.27Å; D179-N221 PolarHBondContact N-ND2 2.84Å; D179-N221 PolarHBondContact O-ND2 3.1Å; D179-M313 HydrophobicContact CB-CG 4.32Å; D179-M313 PolarHBondContact N-O 3.44Å
180	P	95.1	Very high	90.1	Very high	7 Å²	7	38 Å²	38	5%	0.045	19%	0.192	C	C	.	.	S	Bend	trans	-83.2	-13.7	176.2	31.7	-30.8	0	0	0	114.3	A159 E160 T163 L178 P219	A159-P180 HydrophobicContact CB-CB 4.16Å; E160-P180 HydrophobicContact CG-CB 4.1Å; E160-P180 HydrophobicContact CG-CG 4Å; T163-P180 HydrophobicContact CG2-CB 4.04Å; L178-P180 VanDerWaalsContact O-CD 3.3Å; L178-P180 WeakPolarHBondContact O-CD 3.41Å; P180-P219 VanDerWaalsContact O-CB 3.32Å; P180-P219 WeakPolarHBondContact O-CB 3.41Å; P180-P219 WeakPolarHBondContact O-CG 3.31Å
181	K	92.9	Very high	90.6	Very high	127 Å²	127	43.1 Å²	43.1	55%	0.552	21%	0.211	S	C	*	.	S	Bend	trans	-106.3	-17.5	-174.9	-64.8	176.3	-175.3	171.4	0	113.2	D179 F183	D179-K181 WeakPolarHBondContact OD1-CA 3.47Å; D179-K181 PolarHBondContact OD1-N 3.31Å; K181-F183 WeakPolarHBondContact O-CD2 3.5Å; K181-F183 WeakPolarHBondContact O-CE2 3.29Å; K181-F183 PolarHBondContact O-N 3.24Å
182	Y	94.5	Very high	90.8	Very high	18 Å²	18	42.2 Å²	42.2	7%	0.071	20%	0.2	C	C	.	.			trans	-70.1	123.9	176.8	-179.1	-106.3	0	0	0	112.4	I119 L123 D130 D179 G184 Y220 M313	I119-Y182 HydrophobicContact CG2-CE2 4.36Å; L123-Y182 HydrophobicContact CD1-CE2 4.3Å; D130-Y182 HydrophobicContact CB-CD2 4.46Å; D130-Y182 HydrophobicContact CB-CE2 4.22Å; D130-Y182 WeakPolarHBondContact OD1-CE2 3.38Å; D179-Y182 PolarHBondContact OD1-N 3.27Å; Y182-G184 WeakPolarHBondContact OH-CA 3.3Å; Y182-Y220 HydrophobicContact CD1-CD1 4.1Å; Y182-Y220 AromaticContact CD1-CG 3.85Å; Y182-Y220 HydrophobicContact CD1-CG 3.85Å; Y182-Y220 HydrophobicContact CE1-CD1 4.01Å; Y182-Y220 HydrophobicContact CE1-CD2 4.05Å; Y182-Y220 AromaticContact CE1-CG 3.74Å; Y182-Y220 HydrophobicContact CE1-CG 3.74Å; Y182-Y220 VanDerWaalsContact O-CB 3.24Å; Y182-Y220 WeakPolarHBondContact O-CB 3.35Å; Y182-Y220 PolarHBondContact O-N 3.38Å; Y182-M313 HydrophobicContact CD1-CB 3.46Å; Y182-M313 VanDerWaalsContact CD1-CB 3.46Å; Y182-M313 HydrophobicContact CD1-CE 4.23Å; Y182-M313 HydrophobicContact CD1-CG 3.52Å; Y182-M313 HydrophobicContact CD2-CG 4.29Å; Y182-M313 HydrophobicContact CE1-CB 3.85Å; Y182-M313 HydrophobicContact CE1-CE 3.61Å; Y182-M313 HydrophobicContact CE1-CG 3.91Å; Y182-M313 HydrophobicContact CE2-CE 4.05Å; Y182-M313 HydrophobicContact CG-CB 4.14Å; Y182-M313 HydrophobicContact CG-CG 3.73Å; Y182-M313 VanDerWaalsContact CZ-CE 3.5Å
183	F	92.6	Very high	90.6	Very high	18 Å²	18	44 Å²	44	8%	0.079	22%	0.221	C	C	.	.			trans	-106.6	-22.2	175.8	-63	-78.6	0	0	0	113	E128 P155 K181 G185 K186 R217 P219	E128-F183 WeakPolarHBondContact OE1-CD2 3.2Å; P155-F183 HydrophobicContact CB-CZ 4.47Å; P155-F183 HydrophobicContact CG-CZ 4.21Å; K181-F183 WeakPolarHBondContact O-CD2 3.5Å; K181-F183 WeakPolarHBondContact O-CE2 3.29Å; K181-F183 PolarHBondContact O-N 3.24Å; F183-G185 VanDerWaalsContact C-N 3.28Å; F183-G185 PolarHBondContact O-N 2.88Å; F183-K186 PolarHBondContact O-N 2.8Å; F183-K186 VanDerWaalsContact O-N 3.13Å; F183-R217 HydrophobicContact CD1-CG 3.82Å; F183-R217 VanDerWaalsContact CD1-NE 3.34Å; F183-R217 HydrophobicContact CE1-CB 3.98Å; F183-R217 VanDerWaalsContact CE1-CD 3.4Å; F183-R217 HydrophobicContact CE1-CG 3.45Å; F183-R217 VanDerWaalsContact CE1-CG 3.45Å; F183-R217 HydrophobicContact CZ-CB 4.4Å; F183-R217 HydrophobicContact CZ-CG 4.1Å; F183-P219 HydrophobicContact CE1-CB 4.25Å; F183-P219 HydrophobicContact CE1-CG 4.1Å
184	G	90.3	Very high	90	Very high	15 Å²	15	45.2 Å²	45.2	16%	0.155	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	40	176.4	0	0	0	0	0	113	D130 Y182 K186	D130-G184 PolarHBondContact OD1-N 2.98Å; Y182-G184 WeakPolarHBondContact OH-CA 3.3Å; G184-K186 PolarHBondContact O-N 2.67Å
185	G	86.8	Confident	89	Confident	10 Å²	10	46.1 Å²	46.1	10%	0.103	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	23.6	-177.6	0	0	0	0	0	114.5	R146 F183	R146-G185 PolarHBondContact NH1-O 2.72Å; R146-G185 PolarHBondContact NH2-O 3.42Å; F183-G185 VanDerWaalsContact C-N 3.28Å; F183-G185 PolarHBondContact O-N 2.88Å
186	K	87.8	Confident	87.8	Confident	71 Å²	71	44.9 Å²	44.9	31%	0.309	23%	0.229	S	C	.	.			trans	-102.8	124.1	173	-65.7	-175.2	-177.6	177.6	0	110.9	F183 G184 E188 Y220	F183-K186 PolarHBondContact O-N 2.8Å; F183-K186 VanDerWaalsContact O-N 3.13Å; G184-K186 PolarHBondContact O-N 2.67Å; K186-E188 PolarHBondContact O-N 2.96Å; K186-Y220 HydrophobicContact CD-CD2 4.03Å; K186-Y220 HydrophobicContact CD-CE2 4.2Å
187	C	88.4	Confident	86.5	Confident	45 Å²	45	48.7 Å²	48.7	30%	0.304	24%	0.244	S	C	.	.			trans	-95.4	80.2	171.3	175.7	0	0	0	0	109.3	D148 C150	D148-C187 HydrophobicContact CB-CB 4.35Å; D148-C187 WeakPolarHBondContact OD2-CB 3.48Å; C150-C187 HydrophobicContact CB-CB 3.7Å; C150-C187 WeakPolarHBondContact CB-SG 3.5Å; C150-C187 VanDerWaalsContact SG-C 3.54Å; C150-C187 WeakPolarHBondContact SG-CA 3.36Å; C150-C187 WeakPolarHBondContact SG-CB 3.35Å; C150-C187 CovalentContact SG-SG 2.02Å; C150-C187 PolarHBondContact SG-SG 2.84Å
188	E	91.4	Very high	85.5	Confident	73 Å²	73	53.3 Å²	53.3	34%	0.341	27%	0.268	S	S	.	.			trans	-108	137.4	171.8	-68.1	-179.6	-161.5	0	0	109.4	K186 K218	K186-E188 PolarHBondContact O-N 2.96Å; E188-K218 HydrophobicContact CB-CB 4.37Å; E188-K218 PolarHBondContact O-N 3.11Å; E188-K218 WeakPolarHBondContact OE2-CE 3.29Å; E188-K218 IonicContact OE2-NZ 2.95Å; E188-K218 PolarHBondContact OE2-NZ 3.37Å
189	Y	89.2	Confident	84	Confident	138 Å²	138	57 Å²	57	54%	0.541	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.9	-178.7	58.1	-93.6	0	0	0	112.2	L153 N215 Y216	L153-Y189 HydrophobicContact CD1-CG 4.39Å; Y189-N215 HydrophobicContact CD2-CB 3.98Å; Y189-N215 HydrophobicContact CG-CB 4.35Å; Y189-Y216 CarbonylContact C-O 3.59Å; Y189-Y216 WeakPolarHBondContact CA-O 3.24Å; Y189-Y216 WeakPolarHBondContact CB-O 3.45Å
190	V	90.4	Very high	83	Confident	18 Å²	18	63.3 Å²	63.3	11%	0.109	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.5	-179.5	-176.6	0	0	0	0	108.7	I156 N215 Y216 K218 Y225 F227	I156-V190 HydrophobicContact CG2-CG2 4.16Å; V190-N215 CarbonylContact O-C 3.59Å; V190-N215 WeakPolarHBondContact O-CA 3.48Å; V190-Y216 PolarHBondContact N-O 3.03Å; V190-Y216 PolarHBondContact O-N 3.48Å; V190-K218 HydrophobicContact CG2-CB 4.24Å; V190-K218 HydrophobicContact CG2-CD 4.17Å; V190-Y225 HydrophobicContact CG1-CD1 4.27Å; V190-Y225 VanDerWaalsContact CG1-O 3.3Å; V190-Y225 WeakPolarHBondContact CG1-O 3.27Å; V190-Y225 HydrophobicContact CG2-CD1 4.45Å; V190-F227 HydrophobicContact CG1-CD2 3.95Å; V190-F227 HydrophobicContact CG1-CE2 3.91Å
191	Y	87.1	Confident	81.9	Confident	124 Å²	124	66.2 Å²	66.2	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	132	176.4	179.2	-103.6	0	0	0	111.1	W195 K214	Y191-W195 AromaticContact CE2-CD1 3.94Å; Y191-W195 AromaticContact CE2-NE1 3.5Å; Y191-W195 AromaticContact CZ-CD1 3.88Å; Y191-W195 AromaticContact CZ-NE1 3.45Å; Y191-W195 PolarHBondContact OH-NE1 3.12Å; Y191-K214 HydrophobicContact CD2-CG 4.16Å; Y191-K214 WeakPolarHBondContact CD2-O 3.43Å; Y191-K214 HydrophobicContact CE2-CG 3.87Å
192	N	83.4	Confident	81.2	Confident	4 Å²	4	63 Å²	63	2%	0.021	32%	0.324	C	S	.	.			trans	-96.4	125.3	172.9	-178.1	7.9	0	0	0	108.9	E194 E213 K214 Y216 F227 K457	N192-E194 VanDerWaalsContact C-N 3.29Å; N192-E194 PolarHBondContact O-N 3.26Å; N192-E194 PolarHBondContact OD1-N 3Å; N192-E213 WeakPolarHBondContact CB-O 3.45Å; N192-E213 PolarHBondContact ND2-O 3.2Å; N192-K214 PolarHBondContact N-O 3.12Å; N192-Y216 HydrophobicContact CB-CD2 4.16Å; N192-Y216 HydrophobicContact CB-CE2 3.81Å; N192-Y216 WeakPolarHBondContact ND2-CE2 3.24Å; N192-F227 HydrophobicContact CB-CE2 4.4Å; N192-K457 WeakPolarHBondContact ND2-CE 3.1Å; N192-K457 PolarHBondContact ND2-NZ 2.86Å; N192-K457 WeakPolarHBondContact OD1-CE 3.43Å
193	G	75.1	Confident	80.2	Confident	49 Å²	49	71.4 Å²	71.4	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.9	-179.7	0	0	0	0	0	114.6
194	E	73	Confident	79.5	Confident	77 Å²	77	74.3 Å²	74.3	36%	0.36	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.9	-168.6	-59.1	-156.8	142	0	0	115.2	N192 S196 K197	N192-E194 VanDerWaalsContact C-N 3.29Å; N192-E194 PolarHBondContact O-N 3.26Å; N192-E194 PolarHBondContact OD1-N 3Å; E194-S196 PolarHBondContact O-N 2.79Å; E194-S196 VanDerWaalsContact O-N 3.12Å; E194-K197 HydrophobicContact CB-CD 4.37Å; E194-K197 WeakPolarHBondContact O-CB 3.32Å; E194-K197 WeakPolarHBondContact O-CG 3.47Å; E194-K197 PolarHBondContact O-N 3.41Å; E194-K197 IonicContact OE1-NZ 3.9Å; E194-K197 PolarHBondContact OE1-NZ 3.29Å; E194-K197 IonicContact OE2-NZ 2.67Å; E194-K197 PolarHBondContact OE2-NZ 2.82Å
195	W	69.3	Low	79.1	Confident	42 Å²	42	80.2 Å²	80.2	16%	0.159	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26	-176.2	74.3	-76.4	0	0	0	114.3	Y191 K197 N210 E211 K214	Y191-W195 AromaticContact CE2-CD1 3.94Å; Y191-W195 AromaticContact CE2-NE1 3.5Å; Y191-W195 AromaticContact CZ-CD1 3.88Å; Y191-W195 AromaticContact CZ-NE1 3.45Å; Y191-W195 PolarHBondContact OH-NE1 3.12Å; W195-K197 PolarHBondContact O-N 2.82Å; W195-N210 PolarHBondContact O-N 2.69Å; W195-E211 HydrophobicContact CE3-CG 4.41Å; W195-E211 HydrophobicContact CZ3-CG 4.05Å; W195-K214 HydrophobicContact CB-CB 4.09Å; W195-K214 HydrophobicContact CD2-CB 3.8Å; W195-K214 HydrophobicContact CD2-CD 3.88Å; W195-K214 HydrophobicContact CD2-CG 3.7Å; W195-K214 HydrophobicContact CE3-CB 4.16Å; W195-K214 HydrophobicContact CE3-CD 4.13Å; W195-K214 HydrophobicContact CE3-CG 4.31Å; W195-K214 HydrophobicContact CG-CB 3.78Å; W195-K214 HydrophobicContact CG-CG 3.84Å; W195-K214 HydrophobicContact CH2-CD 4.07Å; W195-K214 HydrophobicContact CZ2-CD 3.79Å; W195-K214 HydrophobicContact CZ2-CG 4.33Å; W195-K214 HydrophobicContact CZ3-CD 4.22Å
196	S	68.5	Low	78.6	Confident	67 Å²	67	81.4 Å²	81.4	47%	0.469	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	8.1	178.7	67.3	0	0	0	0	113.6	E194 Y209	E194-S196 PolarHBondContact O-N 2.79Å; E194-S196 VanDerWaalsContact O-N 3.12Å; S196-Y209 WeakPolarHBondContact O-CD1 3.19Å; S196-Y209 WeakPolarHBondContact O-CE1 3.08Å
197	K	69.6	Low	78.3	Confident	115 Å²	115	83.3 Å²	83.3	50%	0.5	43%	0.426	S	S	.	.	S	Bend	trans	-74.7	129.8	168.1	-70.3	-179.7	-171.5	168.9	0	108.8	E194 W195 M199	E194-K197 HydrophobicContact CB-CD 4.37Å; E194-K197 WeakPolarHBondContact O-CB 3.32Å; E194-K197 WeakPolarHBondContact O-CG 3.47Å; E194-K197 PolarHBondContact O-N 3.41Å; E194-K197 IonicContact OE1-NZ 3.9Å; E194-K197 PolarHBondContact OE1-NZ 3.29Å; E194-K197 IonicContact OE2-NZ 2.67Å; E194-K197 PolarHBondContact OE2-NZ 2.82Å; W195-K197 PolarHBondContact O-N 2.82Å; K197-M199 PolarHBondContact O-N 3.48Å
198	L	75.2	Confident	77.7	Confident	97 Å²	97	86 Å²	86	51%	0.508	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124	178.3	-164.4	73.5	0	0	0	109.4	L207 Y209	L198-L207 HydrophobicContact CD1-CD1 4.45Å; L198-L207 HydrophobicContact CD1-CG 4.18Å; L198-L207 HydrophobicContact CD2-CD1 3.72Å; L198-L207 HydrophobicContact CD2-CD2 3.88Å; L198-L207 HydrophobicContact CD2-CG 3.85Å; L198-L207 HydrophobicContact CG-CD1 3.71Å; L198-L207 HydrophobicContact CG-CG 3.93Å; L198-Y209 HydrophobicContact CB-CD1 4.5Å; L198-Y209 HydrophobicContact CB-CE1 4.16Å; L198-Y209 HydrophobicContact CD1-CD1 4.12Å; L198-Y209 HydrophobicContact CD1-CD2 4.45Å; L198-Y209 HydrophobicContact CD1-CE1 3.87Å; L198-Y209 HydrophobicContact CD1-CE2 4.22Å; L198-Y209 HydrophobicContact CD1-CG 4.41Å
199	M	67.6	Low	77	Confident	81 Å²	81	88.6 Å²	88.6	40%	0.399	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.5	179.6	-67.8	-170.7	64.8	0	0	110.2	K197 L207 Q208 N210	K197-M199 PolarHBondContact O-N 3.48Å; M199-L207 WeakPolarHBondContact O-CA 3.44Å; M199-Q208 PolarHBondContact N-O 3.39Å; M199-Q208 PolarHBondContact O-N 2.85Å; M199-Q208 VanDerWaalsContact O-O 3.1Å; M199-N210 HydrophobicContact SD-CB 4.03Å; M199-N210 PolarHBondContact SD-ND2 2.99Å; M199-N210 VanDerWaalsContact SD-ND2 3.44Å
200	Y	75.8	Confident	76.1	Confident	133 Å²	133	83.3 Å²	83.3	52%	0.522	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.6	169.7	179.5	-116	0	0	0	108.4	A202 E205 S206 L207	Y200-A202 HydrophobicContact CD1-CB 4.39Å; Y200-A202 HydrophobicContact CE1-CB 3.98Å; Y200-E205 PolarHBondContact OH-OE2 2.91Å; Y200-S206 CarbonylContact C-O 3.58Å; Y200-S206 WeakPolarHBondContact CA-O 3.3Å; Y200-L207 HydrophobicContact CD2-CB 4.2Å; Y200-L207 HydrophobicContact CD2-CD1 4.36Å; Y200-L207 HydrophobicContact CG-CD1 4.49Å
201	D	70.8	Confident	75.2	Confident	68 Å²	68	89 Å²	89	36%	0.364	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	105.9	169.5	-175.9	-17.7	0	0	0	108.2	F203 C204 E205 S206	D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 2.92Å; D201-F203 WeakPolarHBondContact OD1-CA 3.46Å; D201-F203 WeakPolarHBondContact OD1-CB 3.44Å; D201-F203 PolarHBondContact OD1-N 3.44Å; D201-C204 HydrophobicContact CB-CB 4.17Å; D201-C204 CarbonylContact O-C 3.58Å; D201-C204 PolarHBondContact O-N 3.33Å; D201-C204 PolarHBondContact OD1-N 3.24Å; D201-C204 VanDerWaalsContact OD1-N 3.15Å; D201-C204 PolarHBondContact OD2-SG 3.29Å; D201-E205 VanDerWaalsContact O-CA 3.32Å; D201-E205 WeakPolarHBondContact O-CA 3.43Å; D201-E205 PolarHBondContact O-N 2.93Å; D201-S206 PolarHBondContact N-O 3.46Å; D201-S206 PolarHBondContact O-N 2.75Å; D201-S206 VanDerWaalsContact O-N 3.07Å
202	A	77.9	Confident	74.6	Confident	60 Å²	60	88.4 Å²	88.4	50%	0.496	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.4	179.4	0	0	0	0	0	113.1	Y200	Y200-A202 HydrophobicContact CD1-CB 4.39Å; Y200-A202 HydrophobicContact CE1-CB 3.98Å
203	F	75	Confident	74.2	Confident	195 Å²	195	89.3 Å²	89.3	86%	0.855	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-38.6	176.5	-175.2	-96.6	0	0	0	111	D201	D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 2.92Å; D201-F203 WeakPolarHBondContact OD1-CA 3.46Å; D201-F203 WeakPolarHBondContact OD1-CB 3.44Å; D201-F203 PolarHBondContact OD1-N 3.44Å
204	C	77.6	Confident	74.7	Confident	79 Å²	79	90.7 Å²	90.7	53%	0.534	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.4	177.5	-58.6	0	0	0	0	113.5	D201 S206	D201-C204 HydrophobicContact CB-CB 4.17Å; D201-C204 CarbonylContact O-C 3.58Å; D201-C204 PolarHBondContact O-N 3.33Å; D201-C204 PolarHBondContact OD1-N 3.24Å; D201-C204 VanDerWaalsContact OD1-N 3.15Å; D201-C204 PolarHBondContact OD2-SG 3.29Å; C204-S206 PolarHBondContact O-N 2.89Å; C204-S206 VanDerWaalsContact O-N 3.16Å
205	E	81	Confident	75.5	Confident	138 Å²	138	88.7 Å²	88.7	65%	0.645	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.5	-174.2	-67.3	-70.1	170.3	0	0	112.7	Y200 D201	Y200-E205 PolarHBondContact OH-OE2 2.91Å; D201-E205 VanDerWaalsContact O-CA 3.32Å; D201-E205 WeakPolarHBondContact O-CA 3.43Å; D201-E205 PolarHBondContact O-N 2.93Å
206	S	77.8	Confident	76.5	Confident	36 Å²	36	87 Å²	87	25%	0.252	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.8	-172.1	-176.5	0	0	0	0	111.5	Y200 D201 C204 Q208	Y200-S206 CarbonylContact C-O 3.58Å; Y200-S206 WeakPolarHBondContact CA-O 3.3Å; D201-S206 PolarHBondContact N-O 3.46Å; D201-S206 PolarHBondContact O-N 2.75Å; D201-S206 VanDerWaalsContact O-N 3.07Å; C204-S206 PolarHBondContact O-N 2.89Å; C204-S206 VanDerWaalsContact O-N 3.16Å; S206-Q208 PolarHBondContact OG-OE1 3.22Å
207	L	80.6	Confident	77.7	Confident	110 Å²	110	84.3 Å²	84.3	58%	0.576	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	105	173	-175.3	70.4	0	0	0	108.7	L198 M199 Y200	L198-L207 HydrophobicContact CD1-CD1 4.45Å; L198-L207 HydrophobicContact CD1-CG 4.18Å; L198-L207 HydrophobicContact CD2-CD1 3.72Å; L198-L207 HydrophobicContact CD2-CD2 3.88Å; L198-L207 HydrophobicContact CD2-CG 3.85Å; L198-L207 HydrophobicContact CG-CD1 3.71Å; L198-L207 HydrophobicContact CG-CG 3.93Å; M199-L207 WeakPolarHBondContact O-CA 3.44Å; Y200-L207 HydrophobicContact CD2-CB 4.2Å; Y200-L207 HydrophobicContact CD2-CD1 4.36Å; Y200-L207 HydrophobicContact CG-CD1 4.49Å
208	Q	76.3	Confident	78.8	Confident	101 Å²	101	79.7 Å²	79.7	47%	0.472	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.2	-174.3	62.2	-171.5	9.5	0	0	112.2	M199 S206	M199-Q208 PolarHBondContact N-O 3.39Å; M199-Q208 PolarHBondContact O-N 2.85Å; M199-Q208 VanDerWaalsContact O-O 3.1Å; S206-Q208 PolarHBondContact OG-OE1 3.22Å
209	Y	75.1	Confident	79.8	Confident	129 Å²	129	75 Å²	75	51%	0.506	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	147.6	161.8	-63.8	-69.7	0	0	0	108.6	S196 L198 E211	S196-Y209 WeakPolarHBondContact O-CD1 3.19Å; S196-Y209 WeakPolarHBondContact O-CE1 3.08Å; L198-Y209 HydrophobicContact CB-CD1 4.5Å; L198-Y209 HydrophobicContact CB-CE1 4.16Å; L198-Y209 HydrophobicContact CD1-CD1 4.12Å; L198-Y209 HydrophobicContact CD1-CD2 4.45Å; L198-Y209 HydrophobicContact CD1-CE1 3.87Å; L198-Y209 HydrophobicContact CD1-CE2 4.22Å; L198-Y209 HydrophobicContact CD1-CG 4.41Å; Y209-E211 VanDerWaalsContact C-N 3.25Å; Y209-E211 PolarHBondContact O-N 3.12Å
210	N	70.4	Confident	81.2	Confident	26 Å²	26	72.8 Å²	72.8	14%	0.139	36%	0.358	C	S	.	.			trans	-86.8	71.6	-177	-156.8	-16.4	0	0	0	109.9	W195 M199 D212 E213	W195-N210 PolarHBondContact O-N 2.69Å; M199-N210 HydrophobicContact SD-CB 4.03Å; M199-N210 PolarHBondContact SD-ND2 2.99Å; M199-N210 VanDerWaalsContact SD-ND2 3.44Å; N210-D212 PolarHBondContact O-N 3.2Å; N210-E213 HydrophobicContact CB-CB 4.33Å; N210-E213 WeakPolarHBondContact ND2-CG 3.25Å; N210-E213 PolarHBondContact ND2-OE1 3.2Å; N210-E213 PolarHBondContact ND2-OE2 2.89Å; N210-E213 PolarHBondContact O-N 2.97Å; N210-E213 VanDerWaalsContact O-N 3.14Å
211	E	73.2	Confident	82.2	Confident	137 Å²	137	66.5 Å²	66.5	64%	0.64	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.2	-178	-62.8	-159.1	159.4	0	0	112.4	W195 Y209 E213 K214	W195-E211 HydrophobicContact CE3-CG 4.41Å; W195-E211 HydrophobicContact CZ3-CG 4.05Å; Y209-E211 VanDerWaalsContact C-N 3.25Å; Y209-E211 PolarHBondContact O-N 3.12Å; E211-E213 PolarHBondContact O-N 3.38Å; E211-K214 WeakPolarHBondContact O-CB 3.11Å; E211-K214 PolarHBondContact O-N 3.14Å; E211-K214 VanDerWaalsContact O-N 3.14Å
212	D	72.8	Confident	83.4	Confident	113 Å²	113	63.2 Å²	63.2	60%	0.604	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64.8	-28	178	-60.3	-31.9	0	0	0	112.3	N210	N210-D212 PolarHBondContact O-N 3.2Å
213	E	76.6	Confident	84.3	Confident	23 Å²	23	65.3 Å²	65.3	11%	0.107	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-91.9	3.8	177.6	-73.6	-174.5	-165.6	0	0	114.1	N192 N210 E211 N215 Y216 K457 Y458	N192-E213 WeakPolarHBondContact CB-O 3.45Å; N192-E213 PolarHBondContact ND2-O 3.2Å; N210-E213 HydrophobicContact CB-CB 4.33Å; N210-E213 WeakPolarHBondContact ND2-CG 3.25Å; N210-E213 PolarHBondContact ND2-OE1 3.2Å; N210-E213 PolarHBondContact ND2-OE2 2.89Å; N210-E213 PolarHBondContact O-N 2.97Å; N210-E213 VanDerWaalsContact O-N 3.14Å; E211-E213 PolarHBondContact O-N 3.38Å; E213-N215 PolarHBondContact O-N 2.91Å; E213-Y216 WeakPolarHBondContact CG-OH 3.35Å; E213-Y216 PolarHBondContact OE2-OH 3.35Å; E213-K457 IonicContact OE2-NZ 3.94Å; E213-K457 PolarHBondContact OE2-NZ 2.94Å; E213-Y458 VanDerWaalsContact CD-CE1 3.48Å; E213-Y458 WeakPolarHBondContact OE1-CE1 3.25Å; E213-Y458 WeakPolarHBondContact OE2-CE1 3.18Å; E213-Y458 PolarHBondContact OE2-OH 3.35Å
214	K	84.8	Confident	85.3	Confident	77 Å²	77	59 Å²	59	34%	0.335	29%	0.293	S	S	.	.	S	Bend	trans	-60.9	-37.8	-179.5	-177.2	173.2	-177.3	172.1	0	112.2	Y191 N192 W195 E211	Y191-K214 HydrophobicContact CD2-CG 4.16Å; Y191-K214 WeakPolarHBondContact CD2-O 3.43Å; Y191-K214 HydrophobicContact CE2-CG 3.87Å; N192-K214 PolarHBondContact N-O 3.12Å; W195-K214 HydrophobicContact CB-CB 4.09Å; W195-K214 HydrophobicContact CD2-CB 3.8Å; W195-K214 HydrophobicContact CD2-CD 3.88Å; W195-K214 HydrophobicContact CD2-CG 3.7Å; W195-K214 HydrophobicContact CE3-CB 4.16Å; W195-K214 HydrophobicContact CE3-CD 4.13Å; W195-K214 HydrophobicContact CE3-CG 4.31Å; W195-K214 HydrophobicContact CG-CB 3.78Å; W195-K214 HydrophobicContact CG-CG 3.84Å; W195-K214 HydrophobicContact CH2-CD 4.07Å; W195-K214 HydrophobicContact CZ2-CD 3.79Å; W195-K214 HydrophobicContact CZ2-CG 4.33Å; W195-K214 HydrophobicContact CZ3-CD 4.22Å; E211-K214 WeakPolarHBondContact O-CB 3.11Å; E211-K214 PolarHBondContact O-N 3.14Å; E211-K214 VanDerWaalsContact O-N 3.14Å
215	N	88.9	Confident	86.1	Confident	36 Å²	36	55.9 Å²	55.9	19%	0.193	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.3	178.8	-58.4	-66.7	0	0	0	109.7	L153 Y189 V190 E213	L153-N215 HydrophobicContact CD1-CB 4.07Å; L153-N215 HydrophobicContact CD2-CB 4.19Å; Y189-N215 HydrophobicContact CD2-CB 3.98Å; Y189-N215 HydrophobicContact CG-CB 4.35Å; V190-N215 CarbonylContact O-C 3.59Å; V190-N215 WeakPolarHBondContact O-CA 3.48Å; E213-N215 PolarHBondContact O-N 2.91Å
216	Y	91.4	Very high	86.6	Confident	5 Å²	5	52.2 Å²	52.2	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.7	170.6	-66.9	-83.3	0	0	0	110.2	I154 P155 P157 Y189 V190 N192 E213 F227	I154-Y216 HydrophobicContact CB-CD1 4.25Å; I154-Y216 HydrophobicContact CB-CE1 4.47Å; I154-Y216 HydrophobicContact CG2-CD1 4.46Å; I154-Y216 CarbonylContact O-C 3.56Å; I154-Y216 VanDerWaalsContact O-CA 3.26Å; I154-Y216 WeakPolarHBondContact O-CA 3.48Å; P155-Y216 WeakPolarHBondContact O-CD1 3.49Å; P157-Y216 HydrophobicContact CG-CD1 4.26Å; P157-Y216 HydrophobicContact CG-CE1 3.94Å; Y189-Y216 CarbonylContact C-O 3.59Å; Y189-Y216 WeakPolarHBondContact CA-O 3.24Å; Y189-Y216 WeakPolarHBondContact CB-O 3.45Å; V190-Y216 PolarHBondContact N-O 3.03Å; V190-Y216 PolarHBondContact O-N 3.48Å; N192-Y216 HydrophobicContact CB-CD2 4.16Å; N192-Y216 HydrophobicContact CB-CE2 3.81Å; N192-Y216 WeakPolarHBondContact ND2-CE2 3.24Å; E213-Y216 WeakPolarHBondContact CG-OH 3.35Å; E213-Y216 PolarHBondContact OE2-OH 3.35Å; Y216-F227 AromaticContact CD2-CE2 3.65Å; Y216-F227 HydrophobicContact CD2-CE2 3.65Å; Y216-F227 AromaticContact CD2-CZ 3.49Å; Y216-F227 HydrophobicContact CD2-CZ 3.49Å; Y216-F227 VanDerWaalsContact CD2-CZ 3.49Å; Y216-F227 HydrophobicContact CE2-CE2 4.04Å; Y216-F227 AromaticContact CE2-CZ 3.62Å; Y216-F227 HydrophobicContact CE2-CZ 3.62Å; Y216-F227 HydrophobicContact CG-CZ 4.36Å
217	R	92.6	Very high	87.1	Confident	11 Å²	11	52.6 Å²	52.6	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.1	175.3	-159.2	178.4	177.5	175.5	-8.7	110.1	E128 C150 L153 I154 P155 I156 F183 P219	E128-R217 IonicContact OE1-CZ 3.37Å; E128-R217 IonicContact OE1-NH1 2.82Å; E128-R217 PolarHBondContact OE1-NH1 2.82Å; E128-R217 IonicContact OE1-NH2 3.39Å; E128-R217 PolarHBondContact OE1-NH2 3.28Å; E128-R217 IonicContact OE2-CZ 2.96Å; E128-R217 IonicContact OE2-NH1 2.67Å; E128-R217 IonicContact OE2-NH2 3.66Å; E128-R217 PolarHBondContact OE2-NH2 2.98Å; C150-R217 HydrophobicContact CB-CG 4.24Å; C150-R217 WeakPolarHBondContact O-CD 3.34Å; C150-R217 PolarHBondContact O-NH1 3.25Å; L153-R217 HydrophobicContact CB-CB 3.93Å; I154-R217 PolarHBondContact O-N 3.08Å; P155-R217 CarbonylContact C-O 3.47Å; P155-R217 VanDerWaalsContact CA-O 3.31Å; P155-R217 WeakPolarHBondContact CA-O 3.37Å; I156-R217 PolarHBondContact N-O 2.81Å; F183-R217 HydrophobicContact CD1-CG 3.82Å; F183-R217 VanDerWaalsContact CD1-NE 3.34Å; F183-R217 HydrophobicContact CE1-CB 3.98Å; F183-R217 VanDerWaalsContact CE1-CD 3.4Å; F183-R217 HydrophobicContact CE1-CG 3.45Å; F183-R217 VanDerWaalsContact CE1-CG 3.45Å; F183-R217 HydrophobicContact CZ-CB 4.4Å; F183-R217 HydrophobicContact CZ-CG 4.1Å; R217-P219 WeakPolarHBondContact O-CD 3.35Å
218	K	94.5	Very high	87.3	Confident	18 Å²	18	49.4 Å²	49.4	8%	0.078	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-96.4	119	180	-173.8	169.7	65	92.8	0	110.2	E188 V190 Y222 H223	E188-K218 HydrophobicContact CB-CB 4.37Å; E188-K218 PolarHBondContact O-N 3.11Å; E188-K218 WeakPolarHBondContact OE2-CE 3.29Å; E188-K218 IonicContact OE2-NZ 2.95Å; E188-K218 PolarHBondContact OE2-NZ 3.37Å; V190-K218 HydrophobicContact CG2-CB 4.24Å; V190-K218 HydrophobicContact CG2-CD 4.17Å; K218-Y222 PolarHBondContact NZ-O 3.44Å; K218-H223 PolarHBondContact NZ-O 2.95Å
219	P	95.6	Very high	86.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.2	155	174.9	-21.2	31.8	0	0	0	112.3	I156 A159 P180 F183 R217 N221 Y222	I156-P219 HydrophobicContact CG1-CG 4.34Å; A159-P219 HydrophobicContact CB-CG 4.13Å; P180-P219 VanDerWaalsContact O-CB 3.32Å; P180-P219 WeakPolarHBondContact O-CB 3.41Å; P180-P219 WeakPolarHBondContact O-CG 3.31Å; F183-P219 HydrophobicContact CE1-CB 4.25Å; F183-P219 HydrophobicContact CE1-CG 4.1Å; R217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 PolarHBondContact O-N 3.08Å; P219-Y222 HydrophobicContact CB-CD2 4.09Å; P219-Y222 HydrophobicContact CG-CD2 4.2Å; P219-Y222 PolarHBondContact O-N 3.05Å; P219-Y222 VanDerWaalsContact O-N 3.12Å
220	Y	95.8	Very high	86.4	Confident	34 Å²	34	50.7 Å²	50.7	13%	0.133	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.5	-171.3	175.5	-85.2	0	0	0	113.9	Y182 K186 Y222 R308 Q311	Y182-Y220 HydrophobicContact CD1-CD1 4.1Å; Y182-Y220 AromaticContact CD1-CG 3.85Å; Y182-Y220 HydrophobicContact CD1-CG 3.85Å; Y182-Y220 HydrophobicContact CE1-CD1 4.01Å; Y182-Y220 HydrophobicContact CE1-CD2 4.05Å; Y182-Y220 AromaticContact CE1-CG 3.74Å; Y182-Y220 HydrophobicContact CE1-CG 3.74Å; Y182-Y220 VanDerWaalsContact O-CB 3.24Å; Y182-Y220 WeakPolarHBondContact O-CB 3.35Å; Y182-Y220 PolarHBondContact O-N 3.38Å; K186-Y220 HydrophobicContact CD-CD2 4.03Å; K186-Y220 HydrophobicContact CD-CE2 4.2Å; Y220-Y222 VanDerWaalsContact C-N 3.27Å; Y220-Y222 PolarHBondContact O-N 2.88Å; Y220-R308 PolarHBondContact O-NE 2.9Å; Y220-R308 PolarHBondContact O-NH2 2.7Å; Y220-Q311 WeakPolarHBondContact CE1-O 3.23Å
221	N	97.3	Very high	86	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.2	-175.9	-77.1	-36.5	0	0	0	113.1	D179 P219 H223 R308 M313	D179-N221 PolarHBondContact N-ND2 2.84Å; D179-N221 PolarHBondContact O-ND2 3.1Å; P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 PolarHBondContact O-N 3.08Å; N221-H223 PolarHBondContact O-N 2.76Å; N221-R308 WeakPolarHBondContact O-CB 3.31Å; N221-R308 PolarHBondContact O-N 2.81Å; N221-M313 PolarHBondContact ND2-O 3.23Å; N221-M313 PolarHBondContact OD1-N 3.02Å
222	Y	97	Very high	85.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.6	175.7	-75	-96	0	0	0	109.9	I156 A159 G162 T163 K218 P219 Y220 Y225 F305 M307	I156-Y222 HydrophobicContact CD1-CD1 3.73Å; I156-Y222 HydrophobicContact CD1-CD2 3.89Å; I156-Y222 HydrophobicContact CD1-CE1 3.96Å; I156-Y222 HydrophobicContact CD1-CE2 4.12Å; I156-Y222 HydrophobicContact CD1-CG 3.69Å; A159-Y222 WeakPolarHBondContact CA-OH 3.31Å; A159-Y222 HydrophobicContact CB-CE2 4.27Å; A159-Y222 PolarHBondContact O-OH 2.59Å; G162-Y222 WeakPolarHBondContact CA-OH 3.43Å; T163-Y222 HydrophobicContact CG2-CE2 3.99Å; K218-Y222 PolarHBondContact NZ-O 3.44Å; P219-Y222 HydrophobicContact CB-CD2 4.09Å; P219-Y222 HydrophobicContact CG-CD2 4.2Å; P219-Y222 PolarHBondContact O-N 3.05Å; P219-Y222 VanDerWaalsContact O-N 3.12Å; Y220-Y222 VanDerWaalsContact C-N 3.27Å; Y220-Y222 PolarHBondContact O-N 2.88Å; Y222-Y225 HydrophobicContact CD1-CD2 4.35Å; Y222-Y225 HydrophobicContact CE1-CD2 4.44Å; Y222-F305 HydrophobicContact CD1-CB 4.04Å; Y222-F305 AromaticContact CD1-CD2 3.96Å; Y222-F305 HydrophobicContact CD1-CD2 3.96Å; Y222-F305 HydrophobicContact CD1-CG 4.26Å; Y222-F305 HydrophobicContact CE1-CB 4.07Å; Y222-F305 AromaticContact CE1-CD2 3.55Å; Y222-F305 HydrophobicContact CE1-CD2 3.55Å; Y222-F305 HydrophobicContact CE1-CE2 4.18Å; Y222-F305 AromaticContact CE1-CG 3.86Å; Y222-F305 HydrophobicContact CE1-CG 3.86Å; Y222-M307 HydrophobicContact CD1-CE 4.49Å; Y222-M307 HydrophobicContact CD1-SD 3.97Å; Y222-M307 HydrophobicContact CD2-SD 4.35Å; Y222-M307 HydrophobicContact CE1-CE 3.86Å; Y222-M307 HydrophobicContact CE1-SD 3.95Å; Y222-M307 HydrophobicContact CE2-CE 4.12Å; Y222-M307 HydrophobicContact CE2-SD 4.31Å; Y222-M307 HydrophobicContact CG-SD 4.18Å
223	H	95.9	Very high	85.1	Confident	103 Å²	103	47.2 Å²	47.2	48%	0.477	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-50.9	173.3	-178.9	52.3	0	0	0	110.8	K218 N221 K306	K218-H223 PolarHBondContact NZ-O 2.95Å; N221-H223 PolarHBondContact O-N 2.76Å; H223-K306 WeakPolarHBondContact CA-O 3.32Å; H223-K306 WeakPolarHBondContact CB-O 3.47Å; H223-K306 PolarHBondContact N-O 3.32Å
224	T	95.2	Very high	84.8	Confident	64 Å²	64	52.6 Å²	52.6	39%	0.393	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.3	176.1	58.8	0	0	0	0	110.6	F305 K306	T224-F305 VanDerWaalsContact O-CA 3.27Å; T224-F305 WeakPolarHBondContact O-CA 3.45Å; T224-K306 PolarHBondContact N-O 3.39Å; T224-K306 VanDerWaalsContact N-O 3.16Å; T224-K306 PolarHBondContact O-N 3.34Å; T224-K306 WeakPolarHBondContact OG1-CB 3.49Å
225	Y	94.6	Very high	84	Confident	12 Å²	12	50.6 Å²	50.6	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	125	170.3	-172.9	-79.9	0	0	0	107.8	I156 P157 V190 Y222 F227 A303 H304 F305 M351	I156-Y225 HydrophobicContact CB-CD1 4.35Å; I156-Y225 HydrophobicContact CB-CD2 4.4Å; I156-Y225 HydrophobicContact CB-CE1 4.3Å; I156-Y225 HydrophobicContact CB-CE2 4.34Å; I156-Y225 HydrophobicContact CB-CG 4.41Å; I156-Y225 HydrophobicContact CD1-CD2 3.54Å; I156-Y225 HydrophobicContact CD1-CE2 4.02Å; I156-Y225 HydrophobicContact CD1-CG 3.91Å; I156-Y225 HydrophobicContact CG1-CD2 4.43Å; I156-Y225 HydrophobicContact CG2-CD1 4Å; I156-Y225 HydrophobicContact CG2-CE1 4.33Å; I156-Y225 HydrophobicContact CG2-CG 4.17Å; P157-Y225 PolarHBondContact O-OH 3.43Å; V190-Y225 HydrophobicContact CG1-CD1 4.27Å; V190-Y225 VanDerWaalsContact CG1-O 3.3Å; V190-Y225 WeakPolarHBondContact CG1-O 3.27Å; V190-Y225 HydrophobicContact CG2-CD1 4.45Å; Y222-Y225 HydrophobicContact CD1-CD2 4.35Å; Y222-Y225 HydrophobicContact CE1-CD2 4.44Å; Y225-F227 HydrophobicContact CD1-CE2 4.41Å; Y225-F227 HydrophobicContact CE1-CD1 4.15Å; Y225-F227 HydrophobicContact CE1-CD2 4.36Å; Y225-F227 AromaticContact CE1-CE1 3.78Å; Y225-F227 HydrophobicContact CE1-CE1 3.78Å; Y225-F227 AromaticContact CE1-CE2 4Å; Y225-F227 HydrophobicContact CE1-CE2 4Å; Y225-F227 HydrophobicContact CE1-CG 4.44Å; Y225-F227 AromaticContact CE1-CZ 3.7Å; Y225-F227 HydrophobicContact CE1-CZ 3.7Å; Y225-A303 HydrophobicContact CD1-CB 4.32Å; Y225-A303 HydrophobicContact CE1-CB 3.52Å; Y225-A303 HydrophobicContact CE2-CB 4.04Å; Y225-A303 VanDerWaalsContact OH-CB 3.29Å; Y225-A303 WeakPolarHBondContact OH-CB 2.89Å; Y225-H304 CarbonylContact C-O 3.46Å; Y225-H304 WeakPolarHBondContact CA-O 3.33Å; Y225-F305 HydrophobicContact CD2-CB 3.62Å; Y225-F305 HydrophobicContact CE2-CB 4.3Å; Y225-F305 HydrophobicContact CG-CB 4.41Å; Y225-M351 HydrophobicContact CE2-CG 3.93Å
226	S	91.7	Very high	83.4	Confident	61 Å²	61	50.3 Å²	50.3	43%	0.427	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.9	-175.8	57.4	0	0	0	0	110.6	A303 H304	S226-A303 CarbonylContact O-C 3.49Å; S226-A303 WeakPolarHBondContact O-CA 3.47Å; S226-A303 WeakPolarHBondContact O-CB 3.37Å; S226-H304 PolarHBondContact N-O 3.46Å; S226-H304 PolarHBondContact O-N 2.94Å; S226-H304 PolarHBondContact OG-O 2.84Å
227	F	89.1	Confident	82.8	Confident	44 Å²	44	51.9 Å²	51.9	19%	0.193	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.3	173.2	-67.2	-78.2	0	0	0	111.3	P157 V190 N192 Y216 Y225 T302 A303	P157-F227 HydrophobicContact CG-CZ 4.48Å; V190-F227 HydrophobicContact CG1-CD2 3.95Å; V190-F227 HydrophobicContact CG1-CE2 3.91Å; N192-F227 HydrophobicContact CB-CE2 4.4Å; Y216-F227 AromaticContact CD2-CE2 3.65Å; Y216-F227 HydrophobicContact CD2-CE2 3.65Å; Y216-F227 AromaticContact CD2-CZ 3.49Å; Y216-F227 HydrophobicContact CD2-CZ 3.49Å; Y216-F227 VanDerWaalsContact CD2-CZ 3.49Å; Y216-F227 HydrophobicContact CE2-CE2 4.04Å; Y216-F227 AromaticContact CE2-CZ 3.62Å; Y216-F227 HydrophobicContact CE2-CZ 3.62Å; Y216-F227 HydrophobicContact CG-CZ 4.36Å; Y225-F227 HydrophobicContact CD1-CE2 4.41Å; Y225-F227 HydrophobicContact CE1-CD1 4.15Å; Y225-F227 HydrophobicContact CE1-CD2 4.36Å; Y225-F227 AromaticContact CE1-CE1 3.78Å; Y225-F227 HydrophobicContact CE1-CE1 3.78Å; Y225-F227 AromaticContact CE1-CE2 4Å; Y225-F227 HydrophobicContact CE1-CE2 4Å; Y225-F227 HydrophobicContact CE1-CG 4.44Å; Y225-F227 AromaticContact CE1-CZ 3.7Å; Y225-F227 HydrophobicContact CE1-CZ 3.7Å; F227-T302 WeakPolarHBondContact CA-O 3.44Å; F227-A303 HydrophobicContact CD1-CB 4.21Å
228	V	84.6	Confident	82.3	Confident	44 Å²	44	54.3 Å²	54.3	27%	0.267	32%	0.318	S	S	.	.			trans	-81.6	131.7	171.8	-176.1	0	0	0	0	108.4	E230 T302	V228-E230 VanDerWaalsContact C-N 3.35Å; V228-E230 VanDerWaalsContact CG1-O 3.31Å; V228-E230 WeakPolarHBondContact CG1-O 3.46Å; V228-E230 PolarHBondContact O-N 3.46Å; V228-T302 PolarHBondContact N-O 3.34Å
229	A	64.6	Low	82	Confident	102 Å²	102	57.1 Å²	57.1	84%	0.843	33%	0.329	S	S	*	.	S	Bend	trans	-69.8	-29.5	-174.7	0	0	0	0	0	113.7
230	E	66.7	Low	81.6	Confident	154 Å²	154	58.1 Å²	58.1	72%	0.72	33%	0.333	S	S	*	.	S	Bend	trans	-137.5	118.5	175.6	-171.7	172.3	-167.9	0	0	109.3	V228 T232	V228-E230 VanDerWaalsContact C-N 3.35Å; V228-E230 VanDerWaalsContact CG1-O 3.31Å; V228-E230 WeakPolarHBondContact CG1-O 3.46Å; V228-E230 PolarHBondContact O-N 3.46Å; E230-T232 PolarHBondContact O-N 3.33Å
231	A	62.4	Low	81.1	Confident	60 Å²	60	61 Å²	61	50%	0.496	35%	0.348	S	S	.	.			trans	-67.7	99.2	-179.5	0	0	0	0	0	109.6	S233 V300	A231-S233 PolarHBondContact O-N 3.01Å; A231-V300 HydrophobicContact CB-CG1 3.78Å
232	T	61	Low	80.4	Confident	69 Å²	69	61.7 Å²	61.7	42%	0.423	35%	0.351	S	S	.	.			trans	-76.4	117.9	175.6	59.3	0	0	0	0	109.3	E230	E230-T232 PolarHBondContact O-N 3.33Å
233	S	67.3	Low	79.8	Confident	74 Å²	74	62 Å²	62	52%	0.517	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.3	168.8	62.1	0	0	0	0	109.1	A231 K299	A231-S233 PolarHBondContact O-N 3.01Å; S233-K299 WeakPolarHBondContact CA-O 3.47Å
234	K	70.3	Confident	79.1	Confident	136 Å²	136	57.3 Å²	57.3	59%	0.591	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.9	163.7	-67.8	-179.1	-177.4	175.4	0	107.7	W297 S298 K299	K234-W297 HydrophobicContact CB-CH2 4.3Å; K234-W297 HydrophobicContact CB-CZ3 4.34Å; K234-S298 CarbonylContact O-C 3.59Å; K234-S298 WeakPolarHBondContact O-CA 3.22Å; K234-S298 PolarHBondContact O-OG 2.67Å; K234-K299 PolarHBondContact N-O 2.87Å; K234-K299 PolarHBondContact O-N 3.14Å
235	G	68.3	Low	78.5	Confident	36 Å²	36	59.7 Å²	59.7	37%	0.371	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	151.7	172.9	0	0	0	0	0	111.4	W297	G235-W297 CarbonylContact C-O 3.5Å; G235-W297 WeakPolarHBondContact CA-O 3.27Å
236	S	75.4	Confident	78	Confident	29 Å²	29	59.1 Å²	59.1	20%	0.203	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.2	170	66.8	0	0	0	0	109.7	E238 W297	S236-E238 PolarHBondContact OG-OE1 3.37Å; S236-W297 PolarHBondContact N-O 3.49Å; S236-W297 PolarHBondContact O-N 3.3Å; S236-W297 PolarHBondContact OG-NE1 2.95Å
237	D	78	Confident	77.5	Confident	39 Å²	39	56.4 Å²	56.4	21%	0.209	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.4	167	56.6	-61.5	0	0	0	108.3	R295 V296 Q377 S387	D237-R295 CarbonylContact C-O 3.59Å; D237-R295 VanDerWaalsContact CA-O 3.31Å; D237-R295 WeakPolarHBondContact CA-O 3.26Å; D237-V296 HydrophobicContact CB-CG2 3.97Å; D237-Q377 HydrophobicContact CB-CG 3.97Å; D237-Q377 PolarHBondContact O-NE2 3.04Å; D237-Q377 WeakPolarHBondContact OD2-CG 3.32Å; D237-Q377 PolarHBondContact OD2-NE2 2.99Å; D237-S387 WeakPolarHBondContact OD1-CB 3.11Å
238	E	83.6	Confident	76.9	Confident	61 Å²	61	58.3 Å²	58.3	29%	0.285	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.8	-175.4	-72.9	166.8	-154.7	0	0	109.8	S236 F240 I294 R295	S236-E238 PolarHBondContact OG-OE1 3.37Å; E238-F240 HydrophobicContact CB-CD2 4.43Å; E238-F240 HydrophobicContact CB-CE2 3.59Å; E238-F240 HydrophobicContact CB-CZ 3.78Å; E238-F240 VanDerWaalsContact OE2-CZ 3.24Å; E238-F240 WeakPolarHBondContact OE2-CZ 3.49Å; E238-I294 WeakPolarHBondContact O-CA 3.37Å; E238-R295 PolarHBondContact N-O 2.96Å; E238-R295 PolarHBondContact O-N 2.86Å
239	Y	86.6	Confident	76.7	Confident	78 Å²	78	57.1 Å²	57.1	31%	0.306	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.9	172.6	172.9	-96.4	0	0	0	110.6	E241 S292 I294 A373	Y239-E241 HydrophobicContact CE1-CG 3.72Å; Y239-S292 WeakPolarHBondContact OH-CB 3.34Å; Y239-I294 HydrophobicContact CD2-CD1 4.43Å; Y239-I294 HydrophobicContact CD2-CG1 3.85Å; Y239-A373 HydrophobicContact CD2-CB 3.8Å; Y239-A373 HydrophobicContact CE2-CB 3.56Å; Y239-A373 HydrophobicContact CG-CB 4.48Å
240	F	88.1	Confident	77.4	Confident	20 Å²	20	53.5 Å²	53.5	9%	0.088	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	175	-59.9	-79.3	0	0	0	110.1	E238 D242 R245 L246 A249 S292 F293 R295	E238-F240 HydrophobicContact CB-CD2 4.43Å; E238-F240 HydrophobicContact CB-CE2 3.59Å; E238-F240 HydrophobicContact CB-CZ 3.78Å; E238-F240 VanDerWaalsContact OE2-CZ 3.24Å; E238-F240 WeakPolarHBondContact OE2-CZ 3.49Å; F240-D242 PolarHBondContact O-N 2.78Å; F240-R245 HydrophobicContact CD1-CB 3.79Å; F240-L246 HydrophobicContact CB-CB 4.19Å; F240-L246 HydrophobicContact CD1-CB 4.47Å; F240-L246 HydrophobicContact CD2-CB 4Å; F240-L246 HydrophobicContact CD2-CD1 3.63Å; F240-L246 HydrophobicContact CD2-CG 4.43Å; F240-L246 HydrophobicContact CE2-CD1 3.63Å; F240-L246 HydrophobicContact CG-CB 3.95Å; F240-L246 HydrophobicContact CG-CD1 4.43Å; F240-L246 HydrophobicContact CZ-CD1 4.43Å; F240-A249 HydrophobicContact CE1-CB 3.57Å; F240-A249 HydrophobicContact CZ-CB 3.47Å; F240-A249 VanDerWaalsContact CZ-CB 3.47Å; F240-S292 WeakPolarHBondContact O-CB 3.35Å; F240-F293 HydrophobicContact CB-CB 4.27Å; F240-F293 PolarHBondContact N-O 2.98Å; F240-F293 PolarHBondContact O-N 3.16Å; F240-R295 HydrophobicContact CD2-CB 4.16Å; F240-R295 HydrophobicContact CE2-CB 3.67Å
241	E	85.2	Confident	77.5	Confident	96 Å²	96	48.7 Å²	48.7	45%	0.449	26%	0.257	S	S	.	.	S	Bend	trans	-66.5	-19.3	174.9	-68.9	-178.3	152.5	0	0	112.3	Y239 R245 K363	Y239-E241 HydrophobicContact CE1-CG 3.72Å; E241-R245 IonicContact OE2-CZ 3.11Å; E241-R245 IonicContact OE2-NH1 3.94Å; E241-R245 PolarHBondContact OE2-NH1 2.03Å; E241-R245 IonicContact OE2-NH2 3.82Å; E241-K363 WeakPolarHBondContact O-CE 3.49Å; E241-K363 PolarHBondContact O-NZ 2.86Å
242	D	83.6	Confident	77.4	Confident	13 Å²	13	49.9 Å²	49.9	7%	0.07	26%	0.262	C	S	.	.	S	Bend	trans	-160.8	164.9	-172.3	66.7	83.2	0	0	0	113	F240 Q244 R245 L246 P528	F240-D242 PolarHBondContact O-N 2.78Å; D242-Q244 PolarHBondContact O-N 2.78Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.36Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.37Å; D242-Q244 PolarHBondContact OD1-N 3.38Å; D242-R245 PolarHBondContact OD1-N 2.95Å; D242-R245 WeakPolarHBondContact OD2-CD 3.24Å; D242-R245 WeakPolarHBondContact OD2-CG 3.39Å; D242-R245 IonicContact OD2-NE 2.8Å; D242-L246 PolarHBondContact O-N 2.72Å; D242-P528 HydrophobicContact CB-CG 3.18Å; D242-P528 VanDerWaalsContact CG-CD 3.45Å; D242-P528 WeakPolarHBondContact OD2-CG 3.36Å
243	M	84.4	Confident	77.3	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-32.3	-175.4	-170.2	179.9	69.5	0	0	112.7	L246 L247 I283 Q287 F293 I525	M243-L246 WeakPolarHBondContact O-CB 2.95Å; M243-L246 PolarHBondContact O-N 3.14Å; M243-L247 HydrophobicContact CE-CD1 4.39Å; M243-L247 HydrophobicContact CG-CD1 4.09Å; M243-L247 HydrophobicContact CG-CG 4.38Å; M243-L247 VanDerWaalsContact O-CG 3.27Å; M243-L247 WeakPolarHBondContact O-CG 3.45Å; M243-L247 PolarHBondContact O-N 2.98Å; M243-I283 HydrophobicContact CG-CG2 3.7Å; M243-I283 HydrophobicContact SD-CG2 3.78Å; M243-Q287 HydrophobicContact CE-CB 4.28Å; M243-Q287 HydrophobicContact CE-CG 3.73Å; M243-Q287 HydrophobicContact SD-CG 4.4Å; M243-F293 HydrophobicContact CB-CD2 4.43Å; M243-F293 HydrophobicContact CB-CE2 3.65Å; M243-F293 HydrophobicContact CB-CZ 3.76Å; M243-F293 HydrophobicContact CG-CE2 4.48Å; M243-F293 HydrophobicContact CG-CZ 4.19Å; M243-I525 HydrophobicContact CE-CB 4.08Å; M243-I525 HydrophobicContact CE-CD1 3.71Å; M243-I525 HydrophobicContact CE-CG1 3.72Å; M243-I525 HydrophobicContact CE-CG2 3.27Å
244	Q	79.7	Confident	76.7	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-47.8	-178.9	168.9	171.9	0.3	0	0	110.6	D242 L246 L247 E248 N512 I514 K527	D242-Q244 PolarHBondContact O-N 2.78Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.36Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.37Å; D242-Q244 PolarHBondContact OD1-N 3.38Å; Q244-L246 VanDerWaalsContact C-N 3.27Å; Q244-L246 PolarHBondContact O-N 3.48Å; Q244-L247 PolarHBondContact O-N 3.43Å; Q244-L247 VanDerWaalsContact O-N 3.11Å; Q244-E248 HydrophobicContact CG-CG 4.33Å; Q244-E248 VanDerWaalsContact CG-OE1 3.3Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.13Å; Q244-E248 WeakPolarHBondContact O-CG 3.45Å; Q244-E248 PolarHBondContact O-N 3Å; Q244-N512 PolarHBondContact NE2-O 3.36Å; Q244-I514 HydrophobicContact CB-CD1 4.46Å; Q244-I514 HydrophobicContact CG-CD1 3.85Å; Q244-I514 HydrophobicContact CG-CG1 4.27Å; Q244-K527 VanDerWaalsContact OE1-N 3.16Å
245	R	83.2	Confident	75.3	Confident	114 Å²	114	48.3 Å²	48.3	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-36.8	176.8	-71	-176.2	173.9	165.9	6.7	112.5	F240 E241 D242 A249	F240-R245 HydrophobicContact CD1-CB 3.79Å; E241-R245 IonicContact OE2-CZ 3.11Å; E241-R245 IonicContact OE2-NH1 3.94Å; E241-R245 PolarHBondContact OE2-NH1 2.03Å; E241-R245 IonicContact OE2-NH2 3.82Å; D242-R245 PolarHBondContact OD1-N 2.95Å; D242-R245 WeakPolarHBondContact OD2-CD 3.24Å; D242-R245 WeakPolarHBondContact OD2-CG 3.39Å; D242-R245 IonicContact OD2-NE 2.8Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.95Å
246	L	84.9	Confident	73.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-49.3	172.7	171.1	67.2	0	0	0	110.7	F240 D242 M243 Q244 A249 R250 I283 F293 R295 V358	F240-L246 HydrophobicContact CB-CB 4.19Å; F240-L246 HydrophobicContact CD1-CB 4.47Å; F240-L246 HydrophobicContact CD2-CB 4Å; F240-L246 HydrophobicContact CD2-CD1 3.63Å; F240-L246 HydrophobicContact CD2-CG 4.43Å; F240-L246 HydrophobicContact CE2-CD1 3.63Å; F240-L246 HydrophobicContact CG-CB 3.95Å; F240-L246 HydrophobicContact CG-CD1 4.43Å; F240-L246 HydrophobicContact CZ-CD1 4.43Å; D242-L246 PolarHBondContact O-N 2.72Å; M243-L246 WeakPolarHBondContact O-CB 2.95Å; M243-L246 PolarHBondContact O-N 3.14Å; Q244-L246 VanDerWaalsContact C-N 3.27Å; Q244-L246 PolarHBondContact O-N 3.48Å; L246-A249 PolarHBondContact O-N 3.35Å; L246-R250 WeakPolarHBondContact O-CG 3.43Å; L246-R250 PolarHBondContact O-N 3.42Å; L246-I283 HydrophobicContact CD2-CD1 4.38Å; L246-I283 HydrophobicContact CD2-CG2 4.22Å; L246-F293 HydrophobicContact CD2-CB 4.02Å; L246-F293 HydrophobicContact CD2-CD1 3.96Å; L246-F293 HydrophobicContact CD2-CG 3.98Å; L246-R295 HydrophobicContact CD1-CB 3.79Å; L246-R295 HydrophobicContact CD1-CG 4Å; L246-V358 HydrophobicContact CD1-CG2 4.34Å; L246-V358 HydrophobicContact CD2-CG1 3.72Å; L246-V358 HydrophobicContact CD2-CG2 4.24Å
247	L	80.8	Confident	71.8	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-40.4	-179.6	-67.5	171.2	0	0	0	112.4	M243 Q244 R250 Q251 I264 L280 I514 I525	M243-L247 HydrophobicContact CE-CD1 4.39Å; M243-L247 HydrophobicContact CG-CD1 4.09Å; M243-L247 HydrophobicContact CG-CG 4.38Å; M243-L247 VanDerWaalsContact O-CG 3.27Å; M243-L247 WeakPolarHBondContact O-CG 3.45Å; M243-L247 PolarHBondContact O-N 2.98Å; Q244-L247 PolarHBondContact O-N 3.43Å; Q244-L247 VanDerWaalsContact O-N 3.11Å; L247-R250 PolarHBondContact O-N 3.32Å; L247-Q251 WeakPolarHBondContact O-CG 3.35Å; L247-Q251 PolarHBondContact O-N 3.23Å; L247-I264 HydrophobicContact CD1-CD1 3.93Å; L247-I264 HydrophobicContact CD2-CD1 4.19Å; L247-L280 HydrophobicContact CD2-CD2 3.65Å; L247-I514 HydrophobicContact CB-CD1 4.16Å; L247-I514 HydrophobicContact CD1-CD1 4.44Å; L247-I525 HydrophobicContact CD1-CD1 3.73Å
248	E	76.8	Confident	69.8	Low	85 Å²	85	61.4 Å²	61.4	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-44.3	174.2	-73.1	171.6	-177.1	0	0	111.4	Q244 Q251 S252 I514	Q244-E248 HydrophobicContact CG-CG 4.33Å; Q244-E248 VanDerWaalsContact CG-OE1 3.3Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.13Å; Q244-E248 WeakPolarHBondContact O-CG 3.45Å; Q244-E248 PolarHBondContact O-N 3Å; E248-Q251 PolarHBondContact O-N 3.06Å; E248-S252 PolarHBondContact O-N 3.28Å; E248-I514 HydrophobicContact CG-CD1 4.45Å
249	A	80.4	Confident	67.3	Low	18 Å²	18	61.9 Å²	61.9	15%	0.149	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-43.1	176.6	0	0	0	0	0	111.9	F240 R245 L246 Q251 S252 M253	F240-A249 HydrophobicContact CE1-CB 3.57Å; F240-A249 HydrophobicContact CZ-CB 3.47Å; F240-A249 VanDerWaalsContact CZ-CB 3.47Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.95Å; L246-A249 PolarHBondContact O-N 3.35Å; A249-Q251 PolarHBondContact O-N 2.98Å; A249-S252 PolarHBondContact O-N 3.14Å; A249-S252 PolarHBondContact O-OG 3.01Å; A249-M253 PolarHBondContact O-N 2.7Å
250	R	78.9	Confident	65	Low	27 Å²	27	61.9 Å²	61.9	10%	0.102	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-43.9	174.4	-69.4	-171.7	84.4	-132	-2.3	112	L246 L247 S252 M253 E276 L280 E356 L428	L246-R250 WeakPolarHBondContact O-CG 3.43Å; L246-R250 PolarHBondContact O-N 3.42Å; L247-R250 PolarHBondContact O-N 3.32Å; R250-S252 PolarHBondContact O-N 3.05Å; R250-M253 PolarHBondContact O-N 3.08Å; R250-E276 IonicContact CZ-OE1 3.29Å; R250-E276 VanDerWaalsContact CZ-OE1 3.27Å; R250-E276 IonicContact NH1-OE1 2.78Å; R250-E276 PolarHBondContact NH1-OE1 3.09Å; R250-E276 IonicContact NH2-OE1 3.75Å; R250-E276 PolarHBondContact NH2-OE1 3.08Å; R250-L280 VanDerWaalsContact NH1-CD2 3.3Å; R250-E356 VanDerWaalsContact CD-OE1 3.32Å; R250-E356 WeakPolarHBondContact CD-OE1 3.4Å; R250-E356 IonicContact CZ-OE1 3.52Å; R250-E356 IonicContact CZ-OE2 3.1Å; R250-E356 VanDerWaalsContact NE-CD 3.25Å; R250-E356 IonicContact NE-OE1 2.72Å; R250-E356 PolarHBondContact NE-OE1 2.76Å; R250-E356 IonicContact NE-OE2 3.27Å; R250-E356 PolarHBondContact NE-OE2 3.4Å; R250-E356 VanDerWaalsContact NE-OE2 3.16Å; R250-E356 IonicContact NH2-OE1 2.76Å; R250-E356 IonicContact NH2-OE2 2.59Å; R250-E356 PolarHBondContact NH2-OE2 2.62Å; R250-L428 VanDerWaalsContact NH2-CD2 3.34Å
251	Q	68.4	Low	62.7	Low	52 Å²	52	62.2 Å²	62.2	24%	0.243	36%	0.356	C	S	.	.	H	α-helix	trans	-63	-42.9	179.4	-76.4	178.8	5.9	0	0	112.1	L247 E248 A249 M253 S254	L247-Q251 WeakPolarHBondContact O-CG 3.35Å; L247-Q251 PolarHBondContact O-N 3.23Å; E248-Q251 PolarHBondContact O-N 3.06Å; A249-Q251 PolarHBondContact O-N 2.98Å; Q251-M253 PolarHBondContact O-N 3.38Å; Q251-M253 VanDerWaalsContact O-N 3.14Å; Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å
252	S	61.6	Low	61	Low	86 Å²	86	61.3 Å²	61.3	60%	0.601	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-23.6	179.7	73.7	0	0	0	0	114.1	E248 A249 R250	E248-S252 PolarHBondContact O-N 3.28Å; A249-S252 PolarHBondContact O-N 3.14Å; A249-S252 PolarHBondContact O-OG 3.01Å; R250-S252 PolarHBondContact O-N 3.05Å
253	M	57.7	Low	59.5	Low	69 Å²	69	61.7 Å²	61.7	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-82.9	-17.3	174.8	-68.1	-176.7	70.7	0	0	114.1	A249 R250 Q251 R295 W297	A249-M253 PolarHBondContact O-N 2.7Å; R250-M253 PolarHBondContact O-N 3.08Å; Q251-M253 PolarHBondContact O-N 3.38Å; Q251-M253 VanDerWaalsContact O-N 3.14Å; M253-R295 PolarHBondContact SD-NH1 3.25Å; M253-R295 PolarHBondContact SD-NH2 2.76Å; M253-W297 HydrophobicContact CE-CD2 3.81Å; M253-W297 HydrophobicContact CE-CE3 3.9Å; M253-W297 HydrophobicContact CE-CH2 3.62Å; M253-W297 HydrophobicContact CE-CZ2 3.5Å; M253-W297 HydrophobicContact CE-CZ3 3.82Å; M253-W297 HydrophobicContact SD-CD2 4.49Å; M253-W297 HydrophobicContact SD-CZ2 4.35Å
254	S	54.8	Low	58.5	Low	86 Å²	86	62 Å²	62	60%	0.601	37%	0.366	S	S	*	.	H	α-helix	trans	-97.4	-9.8	-173.8	68.5	0	0	0	0	114.2	Q251 S256	Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å; S254-S256 PolarHBondContact O-N 3.37Å
255	S	42	Very low	57.5	Low	91 Å²	91	62.1 Å²	62.1	64%	0.636	37%	0.368	S	S	*	.			trans	-74.7	88	-171.1	62.2	0	0	0	0	112.6
256	S	38.5	Very low	56.3	Low	66 Å²	66	57.8 Å²	57.8	46%	0.462	35%	0.352	S	S	.	.			trans	-61.1	150.7	142.3	51.8	0	0	0	0	109.1	S254 F258	S254-S256 PolarHBondContact O-N 3.37Å; S256-F258 PolarHBondContact O-N 3.07Å
257	N	30.2	Very low	54.7	Low	176 Å²	176	58.9 Å²	58.9	94%	0.941	36%	0.359	S	S	*	.	S	Bend	trans	-59.4	22.2	-162.9	-74.1	-42.6	0	0	0	118.8
258	F	36.3	Very low	53.1	Low	136 Å²	136	63.6 Å²	63.6	60%	0.596	38%	0.384	S	S	*	.			trans	-95.6	111.8	179.8	-108.2	-101.6	0	0	0	111	S256 V260	S256-F258 PolarHBondContact O-N 3.07Å; F258-V260 HydrophobicContact CB-CG2 4.45Å; F258-V260 PolarHBondContact O-N 3.49Å
259	G	31.9	Very low	51.4	Low	71 Å²	71	62.4 Å²	62.4	73%	0.732	38%	0.38	S	S	*	.			trans	-67.1	66.1	-178.5	0	0	0	0	0	115.3
260	V	36.9	Very low	49.3	Very low	79 Å²	79	64.7 Å²	64.7	48%	0.479	41%	0.405	S	S	.	.			trans	-84.5	142.7	174	-176.5	0	0	0	0	109.9	L168 F258	L168-V260 HydrophobicContact CD2-CG2 4.43Å; F258-V260 HydrophobicContact CB-CG2 4.45Å; F258-V260 PolarHBondContact O-N 3.49Å
261	S	40	Very low	47.2	Very low	26 Å²	26	70.5 Å²	70.5	18%	0.182	44%	0.443	C	S	.	.			trans	-66.8	144.3	176	42.8	0	0	0	0	112	G263	S261-G263 PolarHBondContact O-N 3.31Å
262	V	50.6	Low	46	Very low	77 Å²	77	74.6 Å²	74.6	47%	0.467	47%	0.467	S	S	.	.	S	Bend	trans	-62.4	95.3	176.9	174.2	0	0	0	0	109.9	P515	V262-P515 WeakPolarHBondContact O-CD 3.45Å
263	G	52.8	Low	45.5	Very low	21 Å²	21	77.1 Å²	77.1	22%	0.216	47%	0.467	C	S	.	.			trans	-162.7	149.7	177.6	0	0	0	0	0	111.1	S261 P515	S261-G263 PolarHBondContact O-N 3.31Å; G263-P515 WeakPolarHBondContact CA-O 3.3Å
264	I	63.2	Low	45.9	Very low	14 Å²	14	76.4 Å²	76.4	7%	0.072	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	179.4	-60.6	169.7	0	0	0	108.1	L247 F266 L280 T503 I514 P515 V516 R517 I525	L247-I264 HydrophobicContact CD1-CD1 3.93Å; L247-I264 HydrophobicContact CD2-CD1 4.19Å; I264-F266 HydrophobicContact CG2-CD2 4.39Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; I264-F266 HydrophobicContact CG2-CE2 3.76Å; I264-F266 HydrophobicContact CG2-CZ 3.68Å; I264-L280 HydrophobicContact CG2-CD1 4.06Å; I264-T503 WeakPolarHBondContact O-CG2 3.47Å; I264-I514 HydrophobicContact CD1-CG2 4.46Å; I264-I514 HydrophobicContact CG1-CG2 4.43Å; I264-P515 PolarHBondContact N-O 3.35Å; I264-V516 HydrophobicContact CB-CG1 4.38Å; I264-V516 HydrophobicContact CB-CG2 4.3Å; I264-V516 HydrophobicContact CG2-CG1 4.4Å; I264-V516 CarbonylContact O-C 3.55Å; I264-V516 VanDerWaalsContact O-CA 3.26Å; I264-V516 WeakPolarHBondContact O-CA 3.45Å; I264-R517 PolarHBondContact O-N 3.13Å; I264-I525 HydrophobicContact CD1-CD1 4.4Å
265	A	58	Low	46.6	Very low	7 Å²	7	75 Å²	75	6%	0.058	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.6	176.2	0	0	0	0	0	111	L169 T170 T503 R517	L169-A265 HydrophobicContact CB-CB 4.38Å; T170-A265 WeakPolarHBondContact CA-O 3.46Å; A265-T503 HydrophobicContact CB-CG2 3.94Å; A265-R517 CarbonylContact C-O 3.56Å; A265-R517 WeakPolarHBondContact CA-O 3.45Å; A265-R517 HydrophobicContact CB-CB 4.47Å
266	F	58.7	Low	48.2	Very low	23 Å²	23	72 Å²	72	10%	0.101	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.6	165	-51.7	-76.2	0	0	0	107.5	I264 S277 L280 V516 R517 S518 G519	I264-F266 HydrophobicContact CG2-CD2 4.39Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; I264-F266 HydrophobicContact CG2-CE2 3.76Å; I264-F266 HydrophobicContact CG2-CZ 3.68Å; F266-S277 WeakPolarHBondContact CE1-O 3.16Å; F266-L280 HydrophobicContact CE1-CB 3.87Å; F266-L280 HydrophobicContact CE1-CD1 4.36Å; F266-L280 HydrophobicContact CZ-CB 3.75Å; F266-V516 HydrophobicContact CD2-CG1 3.89Å; F266-V516 HydrophobicContact CE2-CG1 3.53Å; F266-R517 PolarHBondContact N-O 2.91Å; F266-S518 WeakPolarHBondContact O-CA 3.46Å; F266-G519 PolarHBondContact O-N 3.19Å
267	V	51.1	Low	49.8	Very low	24 Å²	24	69.7 Å²	69.7	15%	0.145	42%	0.419	C	S	.	.			trans	-98	97.5	173.6	-177.7	0	0	0	0	107.3	T170 I269 F501	T170-V267 HydrophobicContact CG2-CB 3.82Å; T170-V267 HydrophobicContact CG2-CG2 3.7Å; V267-I269 HydrophobicContact CG1-CD1 3.6Å; V267-I269 HydrophobicContact CG1-CG1 4.13Å; V267-I269 PolarHBondContact O-N 3.41Å; V267-I269 VanDerWaalsContact O-N 3.08Å; V267-F501 HydrophobicContact CG2-CB 4.35Å
268	D	47.3	Very low	52	Low	101 Å²	101	66.1 Å²	66.1	54%	0.54	40%	0.396	S	S	.	.			trans	-77.5	90.2	-179.5	-91.6	-26.5	0	0	0	111.1
269	I	40.5	Very low	54	Low	60 Å²	60	59.8 Å²	59.8	31%	0.308	37%	0.368	S	S	.	.			trans	-148.7	96.6	170.1	-47.5	154.9	0	0	0	109.9	W88 V267 N339	W88-I269 HydrophobicContact CD2-CD1 4.45Å; W88-I269 HydrophobicContact CE3-CD1 3.73Å; W88-I269 HydrophobicContact CE3-CG1 4.02Å; W88-I269 HydrophobicContact CH2-CD1 3.02Å; W88-I269 HydrophobicContact CH2-CG1 4.04Å; W88-I269 HydrophobicContact CZ2-CD1 3.81Å; W88-I269 HydrophobicContact CZ3-CD1 2.97Å; W88-I269 HydrophobicContact CZ3-CG1 3.47Å; W88-I269 VanDerWaalsContact CZ3-CG1 3.47Å; V267-I269 HydrophobicContact CG1-CD1 3.6Å; V267-I269 HydrophobicContact CG1-CG1 4.13Å; V267-I269 PolarHBondContact O-N 3.41Å; V267-I269 VanDerWaalsContact O-N 3.08Å; I269-N339 WeakPolarHBondContact CB-ND2 3.28Å; I269-N339 HydrophobicContact CD1-CB 4.37Å; I269-N339 PolarHBondContact O-ND2 2.88Å
270	G	36.9	Very low	56.2	Low	67 Å²	67	57.3 Å²	57.3	69%	0.691	34%	0.338	S	S	*	.	S	Bend	trans	129.4	156.4	175.9	0	0	0	0	0	112.9	N272	G270-N272 VanDerWaalsContact C-N 3.29Å; G270-N272 PolarHBondContact O-N 2.98Å
271	V	34.5	Very low	58.2	Low	148 Å²	148	56.5 Å²	56.5	90%	0.897	33%	0.331	S	S	*	.	S	Bend	trans	-77	-13.9	-171.1	-175.3	0	0	0	0	112.7
272	N	43.6	Very low	60.3	Low	139 Å²	139	57.1 Å²	57.1	74%	0.743	33%	0.333	S	S	*	.			trans	-99	106.4	-179.6	-77	-4.4	0	0	0	111	G270 N274	G270-N272 VanDerWaalsContact C-N 3.29Å; G270-N272 PolarHBondContact O-N 2.98Å; N272-N274 PolarHBondContact O-N 3.29Å
273	K	51	Low	61.9	Low	139 Å²	139	53.5 Å²	53.5	60%	0.604	31%	0.31	S	S	*	.			trans	-74	119.8	163.1	-71.2	-176.4	176.8	-177.7	0	107.9
274	N	65.1	Low	63.2	Low	53 Å²	53	53.4 Å²	53.4	28%	0.283	31%	0.306	S	S	.	.			trans	-74.3	153.8	177.5	-73.7	-18.3	0	0	0	111.2	D172 F173 N272 E276 S277 E278	D172-N274 HydrophobicContact CB-CB 4.11Å; D172-N274 WeakPolarHBondContact CB-ND2 3.43Å; D172-N274 VanDerWaalsContact CG-CB 3.45Å; D172-N274 VanDerWaalsContact OD1-CB 3.29Å; D172-N274 WeakPolarHBondContact OD1-CB 3.44Å; F173-N274 PolarHBondContact O-ND2 3.34Å; N272-N274 PolarHBondContact O-N 3.29Å; N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.34Å; N274-S277 PolarHBondContact O-N 3.43Å; N274-E278 PolarHBondContact O-N 2.81Å
275	A	70.6	Confident	64.1	Low	58 Å²	58	58.9 Å²	58.9	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-34.6	-171.6	0	0	0	0	0	114	F279 L428	A275-F279 WeakPolarHBondContact O-CB 3.39Å; A275-F279 PolarHBondContact O-N 3.1Å; A275-L428 HydrophobicContact CB-CD1 4.06Å
276	E	75.3	Confident	65.4	Low	26 Å²	26	60.7 Å²	60.7	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-47.8	177.2	-167.2	70	-141	0	0	110.9	D172 R250 N274 E278 F279 L280 L428 K430	D172-E276 WeakPolarHBondContact OD1-CB 3.28Å; R250-E276 IonicContact CZ-OE1 3.29Å; R250-E276 VanDerWaalsContact CZ-OE1 3.27Å; R250-E276 IonicContact NH1-OE1 2.78Å; R250-E276 PolarHBondContact NH1-OE1 3.09Å; R250-E276 IonicContact NH2-OE1 3.75Å; R250-E276 PolarHBondContact NH2-OE1 3.08Å; N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.34Å; E276-E278 VanDerWaalsContact C-N 3.31Å; E276-E278 PolarHBondContact O-N 3.2Å; E276-F279 PolarHBondContact O-N 3.14Å; E276-L280 WeakPolarHBondContact O-CG 3.41Å; E276-L280 PolarHBondContact O-N 3.45Å; E276-L428 VanDerWaalsContact OE2-CD2 3.24Å; E276-L428 WeakPolarHBondContact OE2-CD2 3.38Å; E276-K430 WeakPolarHBondContact OE2-CE 3.4Å; E276-K430 IonicContact OE2-NZ 3.83Å; E276-K430 PolarHBondContact OE2-NZ 3.03Å
277	S	71.6	Confident	66.1	Low	19 Å²	19	64.1 Å²	64.1	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-58.5	-42.5	175.6	-77.2	0	0	0	0	111.8	D172 F266 N274 N281	D172-S277 PolarHBondContact OD2-OG 3.18Å; F266-S277 WeakPolarHBondContact CE1-O 3.16Å; N274-S277 PolarHBondContact O-N 3.43Å; S277-N281 VanDerWaalsContact O-CB 3.28Å; S277-N281 WeakPolarHBondContact O-CB 3.39Å; S277-N281 PolarHBondContact O-N 3.32Å
278	E	76.1	Confident	67.2	Low	100 Å²	100	65.3 Å²	65.3	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-44.2	175.9	-173.2	177.7	-174.4	0	0	112.3	N274 E276 N281 N282	N274-E278 PolarHBondContact O-N 2.81Å; E276-E278 VanDerWaalsContact C-N 3.31Å; E276-E278 PolarHBondContact O-N 3.2Å; E278-N281 PolarHBondContact O-N 3.4Å; E278-N282 WeakPolarHBondContact O-CB 3.38Å; E278-N282 VanDerWaalsContact O-CG 3.32Å; E278-N282 PolarHBondContact O-N 2.88Å; E278-N282 PolarHBondContact O-ND2 3.48Å
279	F	79.4	Confident	68.6	Low	4 Å²	4	63 Å²	63	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-49.2	177.2	177.4	-97.8	0	0	0	111.8	A275 E276 N282 I283 E356 V358 I426 L428	A275-F279 WeakPolarHBondContact O-CB 3.39Å; A275-F279 PolarHBondContact O-N 3.1Å; E276-F279 PolarHBondContact O-N 3.14Å; F279-N282 PolarHBondContact O-N 3.5Å; F279-I283 HydrophobicContact CD1-CD1 3.7Å; F279-I283 HydrophobicContact CD2-CD1 4.49Å; F279-I283 HydrophobicContact CE1-CD1 3.12Å; F279-I283 HydrophobicContact CE1-CG1 4.34Å; F279-I283 HydrophobicContact CE2-CD1 4.07Å; F279-I283 HydrophobicContact CG-CD1 4.36Å; F279-I283 HydrophobicContact CZ-CD1 3.39Å; F279-I283 HydrophobicContact CZ-CG1 4.46Å; F279-I283 WeakPolarHBondContact O-CG1 3.02Å; F279-I283 PolarHBondContact O-N 2.93Å; F279-E356 HydrophobicContact CZ-CG 4.03Å; F279-V358 HydrophobicContact CE2-CG2 4.41Å; F279-V358 HydrophobicContact CZ-CB 4.44Å; F279-V358 HydrophobicContact CZ-CG2 3.72Å; F279-I426 HydrophobicContact CD2-CG2 3.53Å; F279-I426 HydrophobicContact CE2-CB 4.33Å; F279-I426 HydrophobicContact CE2-CG2 3.73Å; F279-I426 HydrophobicContact CG-CG2 4.4Å; F279-L428 HydrophobicContact CB-CB 4.31Å; F279-L428 HydrophobicContact CB-CD1 4.28Å; F279-L428 HydrophobicContact CD1-CB 4.4Å; F279-L428 HydrophobicContact CD1-CD2 4.14Å; F279-L428 HydrophobicContact CD2-CB 3.41Å; F279-L428 VanDerWaalsContact CD2-CB 3.41Å; F279-L428 HydrophobicContact CD2-CG 4.47Å; F279-L428 HydrophobicContact CE1-CD2 4.46Å; F279-L428 HydrophobicContact CE2-CB 3.61Å; F279-L428 HydrophobicContact CG-CB 3.81Å; F279-L428 HydrophobicContact CG-CD2 4.17Å; F279-L428 HydrophobicContact CG-CG 4.43Å; F279-L428 HydrophobicContact CZ-CB 4.19Å
280	L	77.9	Confident	70.7	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-45.6	176.5	-73.3	174.7	0	0	0	111.1	L247 R250 I264 F266 E276 N282 I283 T284	L247-L280 HydrophobicContact CD2-CD2 3.65Å; R250-L280 VanDerWaalsContact NH1-CD2 3.3Å; I264-L280 HydrophobicContact CG2-CD1 4.06Å; F266-L280 HydrophobicContact CE1-CB 3.87Å; F266-L280 HydrophobicContact CE1-CD1 4.36Å; F266-L280 HydrophobicContact CZ-CB 3.75Å; E276-L280 WeakPolarHBondContact O-CG 3.41Å; E276-L280 PolarHBondContact O-N 3.45Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.19Å; L280-I283 PolarHBondContact O-N 3.4Å; L280-T284 VanDerWaalsContact O-CG2 3.24Å; L280-T284 WeakPolarHBondContact O-CG2 3.46Å; L280-T284 PolarHBondContact O-N 3.26Å; L280-T284 PolarHBondContact O-OG1 3Å
281	N	77.9	Confident	73.2	Confident	62 Å²	62	62.4 Å²	62.4	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-42.9	176.8	-176.4	32.5	0	0	0	111.7	S277 E278 T284	S277-N281 VanDerWaalsContact O-CB 3.28Å; S277-N281 WeakPolarHBondContact O-CB 3.39Å; S277-N281 PolarHBondContact O-N 3.32Å; E278-N281 PolarHBondContact O-N 3.4Å; N281-T284 WeakPolarHBondContact CA-OG1 3.49Å; N281-T284 PolarHBondContact O-N 2.79Å; N281-T284 PolarHBondContact O-OG1 2.86Å
282	N	84.3	Confident	75.8	Confident	39 Å²	39	55.3 Å²	55.3	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-41.2	177.2	-73.8	-23.7	0	0	0	112.5	E278 F279 L280 K285 I426	E278-N282 WeakPolarHBondContact O-CB 3.38Å; E278-N282 VanDerWaalsContact O-CG 3.32Å; E278-N282 PolarHBondContact O-N 2.88Å; E278-N282 PolarHBondContact O-ND2 3.48Å; F279-N282 PolarHBondContact O-N 3.5Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.19Å; N282-K285 WeakPolarHBondContact O-CB 3.47Å; N282-K285 PolarHBondContact O-N 2.83Å; N282-K285 PolarHBondContact OD1-NZ 3.35Å; N282-I426 HydrophobicContact CB-CD1 4.28Å; N282-I426 HydrophobicContact CB-CG2 3.91Å
283	I	83.3	Confident	78	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-43.7	175.5	-71.7	173.7	0	0	0	110.8	M243 L246 F279 L280 K285 Y286 V358 I426	M243-I283 HydrophobicContact CG-CG2 3.7Å; M243-I283 HydrophobicContact SD-CG2 3.78Å; L246-I283 HydrophobicContact CD2-CD1 4.38Å; L246-I283 HydrophobicContact CD2-CG2 4.22Å; F279-I283 HydrophobicContact CD1-CD1 3.7Å; F279-I283 HydrophobicContact CD2-CD1 4.49Å; F279-I283 HydrophobicContact CE1-CD1 3.12Å; F279-I283 HydrophobicContact CE1-CG1 4.34Å; F279-I283 HydrophobicContact CE2-CD1 4.07Å; F279-I283 HydrophobicContact CG-CD1 4.36Å; F279-I283 HydrophobicContact CZ-CD1 3.39Å; F279-I283 HydrophobicContact CZ-CG1 4.46Å; F279-I283 WeakPolarHBondContact O-CG1 3.02Å; F279-I283 PolarHBondContact O-N 2.93Å; L280-I283 PolarHBondContact O-N 3.4Å; I283-K285 PolarHBondContact O-N 2.82Å; I283-Y286 PolarHBondContact O-N 3.31Å; I283-V358 HydrophobicContact CD1-CB 4.38Å; I283-V358 HydrophobicContact CD1-CG1 4.4Å; I283-V358 HydrophobicContact CD1-CG2 4.11Å; I283-I426 HydrophobicContact CB-CD1 4.21Å; I283-I426 HydrophobicContact CG1-CB 4.37Å; I283-I426 HydrophobicContact CG1-CD1 3.54Å; I283-I426 HydrophobicContact CG1-CG2 4.17Å
284	T	80.4	Confident	79.6	Confident	19 Å²	19	42.1 Å²	42.1	12%	0.117	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-5.6	-176.7	61.1	0	0	0	0	114.8	L280 N281 Y286 Q287 I525	L280-T284 VanDerWaalsContact O-CG2 3.24Å; L280-T284 WeakPolarHBondContact O-CG2 3.46Å; L280-T284 PolarHBondContact O-N 3.26Å; L280-T284 PolarHBondContact O-OG1 3Å; N281-T284 WeakPolarHBondContact CA-OG1 3.49Å; N281-T284 PolarHBondContact O-N 2.79Å; N281-T284 PolarHBondContact O-OG1 2.86Å; T284-Y286 VanDerWaalsContact C-N 3.28Å; T284-Q287 WeakPolarHBondContact O-CG 3.4Å; T284-Q287 PolarHBondContact O-NE2 2.88Å; T284-I525 HydrophobicContact CG2-CD1 3.8Å
285	K	83.4	Confident	80.7	Confident	130 Å²	130	40 Å²	40	57%	0.565	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.8	170.2	-65.2	169	-178.5	167.5	0	112.4	N282 I283 Q287	N282-K285 WeakPolarHBondContact O-CB 3.47Å; N282-K285 PolarHBondContact O-N 2.83Å; N282-K285 PolarHBondContact OD1-NZ 3.35Å; I283-K285 PolarHBondContact O-N 2.82Å; K285-Q287 PolarHBondContact O-N 2.94Å
286	Y	84	Confident	81.3	Confident	45 Å²	45	37.3 Å²	37.3	18%	0.176	19%	0.185	C	C	.	.			trans	-101.9	51.9	-170.9	-60.3	-80.6	0	0	0	113.1	I283 T284 S288 F291 F293 V360 E423 D424 I426	I283-Y286 PolarHBondContact O-N 3.31Å; T284-Y286 VanDerWaalsContact C-N 3.28Å; Y286-S288 VanDerWaalsContact C-N 3.29Å; Y286-S288 PolarHBondContact O-N 2.87Å; Y286-F291 HydrophobicContact CD1-CD2 4.13Å; Y286-F291 AromaticContact CD1-CE2 3.95Å; Y286-F291 HydrophobicContact CD1-CE2 3.95Å; Y286-F291 HydrophobicContact CD1-CZ 4.19Å; Y286-F293 WeakPolarHBondContact O-CZ 3.47Å; Y286-V360 HydrophobicContact CD1-CG1 3.67Å; Y286-V360 HydrophobicContact CD2-CG1 4.3Å; Y286-V360 HydrophobicContact CD2-CG2 3.94Å; Y286-V360 HydrophobicContact CE1-CG1 4.22Å; Y286-V360 HydrophobicContact CE2-CG2 4.23Å; Y286-V360 HydrophobicContact CG-CG1 3.71Å; Y286-V360 HydrophobicContact CG-CG2 4.2Å; Y286-E423 HydrophobicContact CE1-CB 4.41Å; Y286-D424 HydrophobicContact CE1-CB 4.49Å; Y286-D424 HydrophobicContact CE2-CB 4.1Å; Y286-D424 VanDerWaalsContact OH-CB 3.28Å; Y286-D424 WeakPolarHBondContact OH-CB 3.5Å; Y286-D424 PolarHBondContact OH-OD2 3.16Å; Y286-I426 HydrophobicContact CD2-CD1 4.11Å; Y286-I426 HydrophobicContact CE2-CD1 4.01Å
287	Q	73.6	Confident	81.8	Confident	95 Å²	95	37.8 Å²	37.8	44%	0.444	19%	0.185	S	C	.	.			trans	-80.6	-4.5	-175.6	-43.9	-168.4	-7.2	0	0	114.4	M243 T284 K285	M243-Q287 HydrophobicContact CE-CB 4.28Å; M243-Q287 HydrophobicContact CE-CG 3.73Å; M243-Q287 HydrophobicContact SD-CG 4.4Å; T284-Q287 WeakPolarHBondContact O-CG 3.4Å; T284-Q287 PolarHBondContact O-NE2 2.88Å; K285-Q287 PolarHBondContact O-N 2.94Å
288	S	75.4	Confident	82.4	Confident	49 Å²	49	36.9 Å²	36.9	34%	0.343	18%	0.179	S	C	.	.	S	Bend	trans	-66.3	146.3	-178.9	-173.1	0	0	0	0	111.5	Y286 D290 F291	Y286-S288 VanDerWaalsContact C-N 3.29Å; Y286-S288 PolarHBondContact O-N 2.87Å; S288-D290 PolarHBondContact O-N 2.72Å; S288-D290 PolarHBondContact OG-N 3.03Å; S288-D290 PolarHBondContact OG-OD2 3.1Å; S288-F291 PolarHBondContact O-N 2.94Å
289	Q	75.9	Confident	82.9	Confident	52 Å²	52	34.2 Å²	34.2	24%	0.243	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.9	172.9	-66.1	173.4	-1.5	0	0	112.7	F291 K363 G529 F530	Q289-F291 PolarHBondContact O-N 2.74Å; Q289-K363 PolarHBondContact O-NZ 2.88Å; Q289-G529 VanDerWaalsContact NE2-CA 3.34Å; Q289-F530 PolarHBondContact NE2-O 2.95Å
290	D	85	Confident	83.3	Confident	78 Å²	78	34.4 Å²	34.4	42%	0.417	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.3	178.5	-55	-44.3	0	0	0	113	S288 K363	S288-D290 PolarHBondContact O-N 2.72Å; S288-D290 PolarHBondContact OG-N 3.03Å; S288-D290 PolarHBondContact OG-OD2 3.1Å; D290-K363 VanDerWaalsContact O-CB 3.29Å; D290-K363 WeakPolarHBondContact O-CB 3.38Å; D290-K363 WeakPolarHBondContact O-CG 3.32Å; D290-K363 PolarHBondContact O-N 3.25Å
291	F	89	Confident	83.8	Confident	36 Å²	36	35.7 Å²	35.7	16%	0.158	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.2	178.1	-56.5	-57.8	0	0	0	112.4	Y286 S288 Q289 F293 V360 L361 N362 K363 E423	Y286-F291 HydrophobicContact CD1-CD2 4.13Å; Y286-F291 AromaticContact CD1-CE2 3.95Å; Y286-F291 HydrophobicContact CD1-CE2 3.95Å; Y286-F291 HydrophobicContact CD1-CZ 4.19Å; S288-F291 PolarHBondContact O-N 2.94Å; Q289-F291 PolarHBondContact O-N 2.74Å; F291-F293 HydrophobicContact CB-CE2 4.38Å; F291-F293 HydrophobicContact CB-CZ 4.27Å; F291-V360 HydrophobicContact CB-CG1 4.11Å; F291-V360 HydrophobicContact CD1-CG1 4.1Å; F291-V360 HydrophobicContact CG-CG1 4.11Å; F291-L361 CarbonylContact C-O 3.53Å; F291-L361 VanDerWaalsContact CA-O 3.24Å; F291-L361 WeakPolarHBondContact CA-O 3.33Å; F291-N362 HydrophobicContact CE1-CB 4.47Å; F291-K363 WeakPolarHBondContact O-CE 3.46Å; F291-K363 PolarHBondContact O-NZ 3.09Å; F291-E423 HydrophobicContact CD1-CG 4.17Å; F291-E423 HydrophobicContact CE1-CB 4.44Å; F291-E423 HydrophobicContact CE1-CG 3.71Å
292	S	88.9	Confident	84.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.4	164.1	45.1	0	0	0	0	109.4	Y239 F240 L361	Y239-S292 WeakPolarHBondContact OH-CB 3.34Å; F240-S292 WeakPolarHBondContact O-CB 3.35Å; S292-L361 PolarHBondContact N-O 2.03Å; S292-L361 PolarHBondContact O-N 3.31Å
293	F	89.6	Confident	84.7	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.1	-173.4	-56.3	-94.3	0	0	0	110.2	F240 M243 L246 Y286 F291 V358 A359 V360	F240-F293 HydrophobicContact CB-CB 4.27Å; F240-F293 PolarHBondContact N-O 2.98Å; F240-F293 PolarHBondContact O-N 3.16Å; M243-F293 HydrophobicContact CB-CD2 4.43Å; M243-F293 HydrophobicContact CB-CE2 3.65Å; M243-F293 HydrophobicContact CB-CZ 3.76Å; M243-F293 HydrophobicContact CG-CE2 4.48Å; M243-F293 HydrophobicContact CG-CZ 4.19Å; L246-F293 HydrophobicContact CD2-CB 4.02Å; L246-F293 HydrophobicContact CD2-CD1 3.96Å; L246-F293 HydrophobicContact CD2-CG 3.98Å; Y286-F293 WeakPolarHBondContact O-CZ 3.47Å; F291-F293 HydrophobicContact CB-CE2 4.38Å; F291-F293 HydrophobicContact CB-CZ 4.27Å; F293-V358 HydrophobicContact CB-CG1 4.32Å; F293-V358 HydrophobicContact CD1-CG1 3.79Å; F293-A359 WeakPolarHBondContact CA-O 3.5Å; F293-V360 HydrophobicContact CD1-CG1 4.48Å; F293-V360 HydrophobicContact CD1-CG2 4.02Å; F293-V360 HydrophobicContact CE1-CB 4.43Å; F293-V360 HydrophobicContact CE1-CG1 4.01Å; F293-V360 HydrophobicContact CE1-CG2 3.87Å
294	I	86.1	Confident	85.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	165.6	-68.6	168.6	0	0	0	107.5	E238 Y239 V296 V358 A359 L361 F376 Q377 F380	E238-I294 WeakPolarHBondContact O-CA 3.37Å; Y239-I294 HydrophobicContact CD2-CD1 4.43Å; Y239-I294 HydrophobicContact CD2-CG1 3.85Å; I294-V296 HydrophobicContact CG2-CG2 4.32Å; I294-V358 CarbonylContact O-C 3.5Å; I294-V358 WeakPolarHBondContact O-CA 3.29Å; I294-A359 HydrophobicContact CB-CB 4.43Å; I294-A359 PolarHBondContact N-O 3.13Å; I294-A359 PolarHBondContact O-N 2.74Å; I294-L361 HydrophobicContact CD1-CD1 3.49Å; I294-L361 VanDerWaalsContact CD1-CD1 3.49Å; I294-L361 HydrophobicContact CG1-CD1 4.05Å; I294-F376 HydrophobicContact CD1-CB 4.32Å; I294-F376 HydrophobicContact CD1-CD1 3.41Å; I294-F376 VanDerWaalsContact CD1-CD1 3.41Å; I294-F376 HydrophobicContact CD1-CE1 4.13Å; I294-F376 HydrophobicContact CD1-CG 4.23Å; I294-Q377 HydrophobicContact CD1-CB 3.89Å; I294-Q377 HydrophobicContact CG1-CB 4.39Å; I294-Q377 HydrophobicContact CG2-CB 4.32Å; I294-Q377 HydrophobicContact CG2-CG 3.98Å; I294-F380 HydrophobicContact CG2-CD1 4.08Å
295	R	86.9	Confident	85.9	Confident	9 Å²	9	34.6 Å²	34.6	3%	0.034	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.8	176.1	-172.6	-169.5	-176.5	-148.3	-3.3	108.3	D237 E238 F240 L246 M253 E356 Y357 V358	D237-R295 CarbonylContact C-O 3.59Å; D237-R295 VanDerWaalsContact CA-O 3.31Å; D237-R295 WeakPolarHBondContact CA-O 3.26Å; E238-R295 PolarHBondContact N-O 2.96Å; E238-R295 PolarHBondContact O-N 2.86Å; F240-R295 HydrophobicContact CD2-CB 4.16Å; F240-R295 HydrophobicContact CE2-CB 3.67Å; L246-R295 HydrophobicContact CD1-CB 3.79Å; L246-R295 HydrophobicContact CD1-CG 4Å; M253-R295 PolarHBondContact SD-NH1 3.25Å; M253-R295 PolarHBondContact SD-NH2 2.76Å; R295-E356 HydrophobicContact CG-CG 4.49Å; R295-E356 IonicContact CZ-OE1 2.72Å; R295-E356 VanDerWaalsContact CZ-OE1 3.23Å; R295-E356 IonicContact NE-OE1 2.79Å; R295-E356 PolarHBondContact NE-OE1 2.78Å; R295-E356 IonicContact NH2-OE1 2.92Å; R295-E356 PolarHBondContact NH2-OE1 2.74Å; R295-E356 IonicContact NH2-OE2 2.94Å; R295-Y357 CarbonylContact C-O 3.57Å; R295-Y357 WeakPolarHBondContact CA-O 3.47Å; R295-V358 HydrophobicContact CG-CG2 4.29Å
296	V	82.9	Confident	86.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.8	165.9	178.1	0	0	0	0	106.8	D237 I294 E356 Y357 F380 L384 I386	D237-V296 HydrophobicContact CB-CG2 3.97Å; I294-V296 HydrophobicContact CG2-CG2 4.32Å; V296-E356 CarbonylContact O-C 3.59Å; V296-E356 WeakPolarHBondContact O-CA 3.4Å; V296-Y357 PolarHBondContact N-O 3.45Å; V296-Y357 PolarHBondContact O-N 3.18Å; V296-F380 HydrophobicContact CB-CD1 4.31Å; V296-F380 HydrophobicContact CB-CE1 4.07Å; V296-F380 HydrophobicContact CG2-CD1 3.33Å; V296-F380 HydrophobicContact CG2-CE1 3.56Å; V296-F380 HydrophobicContact CG2-CG 4.5Å; V296-L384 HydrophobicContact CG1-CD1 4.08Å; V296-I386 HydrophobicContact CG1-CB 4.22Å; V296-I386 HydrophobicContact CG1-CD1 3.77Å; V296-I386 HydrophobicContact CG1-CG2 4.15Å
297	W	86.1	Confident	87.1	Confident	36 Å²	36	31.1 Å²	31.1	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.6	175.4	69.7	-86.9	0	0	0	110.7	K234 G235 S236 M253 K299 L355 E356	K234-W297 HydrophobicContact CB-CH2 4.3Å; K234-W297 HydrophobicContact CB-CZ3 4.34Å; G235-W297 CarbonylContact C-O 3.5Å; G235-W297 WeakPolarHBondContact CA-O 3.27Å; S236-W297 PolarHBondContact N-O 3.49Å; S236-W297 PolarHBondContact O-N 3.3Å; S236-W297 PolarHBondContact OG-NE1 2.95Å; M253-W297 HydrophobicContact CE-CD2 3.81Å; M253-W297 HydrophobicContact CE-CE3 3.9Å; M253-W297 HydrophobicContact CE-CH2 3.62Å; M253-W297 HydrophobicContact CE-CZ2 3.5Å; M253-W297 HydrophobicContact CE-CZ3 3.82Å; M253-W297 HydrophobicContact SD-CD2 4.49Å; M253-W297 HydrophobicContact SD-CZ2 4.35Å; W297-K299 HydrophobicContact CE3-CG 4.09Å; W297-K299 HydrophobicContact CZ3-CB 4.25Å; W297-K299 HydrophobicContact CZ3-CD 4.24Å; W297-K299 HydrophobicContact CZ3-CG 3.94Å; W297-L355 CarbonylContact C-O 3.56Å; W297-L355 WeakPolarHBondContact CA-O 3.4Å; W297-E356 HydrophobicContact CB-CB 4.4Å; W297-E356 HydrophobicContact CB-CG 4.36Å
298	S	84.1	Confident	88.2	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.5	167.6	-169.9	0	0	0	0	111.5	K234 S354 L355 Y449	K234-S298 CarbonylContact O-C 3.59Å; K234-S298 WeakPolarHBondContact O-CA 3.22Å; K234-S298 PolarHBondContact O-OG 2.67Å; S298-S354 CarbonylContact O-C 3.46Å; S298-S354 VanDerWaalsContact O-CA 3.32Å; S298-S354 WeakPolarHBondContact O-CA 3.21Å; S298-L355 PolarHBondContact N-O 2.95Å; S298-L355 PolarHBondContact O-N 3.36Å; S298-Y449 PolarHBondContact OG-OH 3.47Å
299	K	86.5	Confident	89.1	Confident	44 Å²	44	30.7 Å²	30.7	19%	0.191	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.1	171.2	-70.6	-176.2	173.2	-170.8	0	108.8	S233 K234 W297 G353 D464	S233-K299 WeakPolarHBondContact CA-O 3.47Å; K234-K299 PolarHBondContact N-O 2.87Å; K234-K299 PolarHBondContact O-N 3.14Å; W297-K299 HydrophobicContact CE3-CG 4.09Å; W297-K299 HydrophobicContact CZ3-CB 4.25Å; W297-K299 HydrophobicContact CZ3-CD 4.24Å; W297-K299 HydrophobicContact CZ3-CG 3.94Å; K299-G353 WeakPolarHBondContact CA-O 3.47Å; K299-D464 IonicContact NZ-OD1 3.47Å; K299-D464 PolarHBondContact NZ-OD1 3.43Å
300	V	87.3	Confident	90.1	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.3	175.6	-179	0	0	0	0	107.5	A231 G352 G353 Y449 W452 L456	A231-V300 HydrophobicContact CB-CG1 3.78Å; V300-G352 CarbonylContact O-C 3.58Å; V300-G352 WeakPolarHBondContact O-CA 3.46Å; V300-G353 PolarHBondContact N-O 2.77Å; V300-G353 PolarHBondContact O-N 3.49Å; V300-Y449 WeakPolarHBondContact CG2-OH 3.22Å; V300-W452 HydrophobicContact CG2-CH2 4.32Å; V300-W452 HydrophobicContact CG2-CZ3 3.92Å; V300-L456 HydrophobicContact CB-CD1 3.59Å; V300-L456 HydrophobicContact CG1-CD1 3.76Å; V300-L456 HydrophobicContact CG2-CD1 4.2Å
301	Q	89.4	Confident	90.5	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.7	179.7	-61.2	-177.8	-31.4	0	0	109.9	T350	Q301-T350 HydrophobicContact CB-CG2 3.79Å; Q301-T350 HydrophobicContact CG-CG2 3.64Å
302	T	89.3	Confident	90.9	Very high	18 Å²	18	31.7 Å²	31.7	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-30.9	-178.6	58.4	0	0	0	0	113.3	F227 V228 M351 G352 L456	F227-T302 WeakPolarHBondContact CA-O 3.44Å; V228-T302 PolarHBondContact N-O 3.34Å; T302-M351 PolarHBondContact N-O 3.46Å; T302-M351 PolarHBondContact OG1-O 3.02Å; T302-G352 WeakPolarHBondContact OG1-CA 3.28Å; T302-G352 PolarHBondContact OG1-N 2.04Å; T302-L456 HydrophobicContact CG2-CB 3.78Å
303	A	91.5	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	157.4	175.7	0	0	0	0	0	112.6	Y225 S226 F227 T350 M351	Y225-A303 HydrophobicContact CD1-CB 4.32Å; Y225-A303 HydrophobicContact CE1-CB 3.52Å; Y225-A303 HydrophobicContact CE2-CB 4.04Å; Y225-A303 VanDerWaalsContact OH-CB 3.29Å; Y225-A303 WeakPolarHBondContact OH-CB 2.89Å; S226-A303 CarbonylContact O-C 3.49Å; S226-A303 WeakPolarHBondContact O-CA 3.47Å; S226-A303 WeakPolarHBondContact O-CB 3.37Å; F227-A303 HydrophobicContact CD1-CB 4.21Å; A303-T350 CarbonylContact O-C 3.45Å; A303-T350 WeakPolarHBondContact O-CA 3.18Å; A303-T350 WeakPolarHBondContact O-CG2 3.48Å; A303-M351 HydrophobicContact CB-CB 4.12Å; A303-M351 PolarHBondContact N-O 3.26Å; A303-M351 PolarHBondContact O-N 3.18Å
304	H	93.6	Very high	91.7	Very high	75 Å²	75	32 Å²	32	35%	0.347	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.4	168.4	-57	-65.4	0	0	0	109.6	Y225 S226 G349 T350	Y225-H304 CarbonylContact C-O 3.46Å; Y225-H304 WeakPolarHBondContact CA-O 3.33Å; S226-H304 PolarHBondContact N-O 3.46Å; S226-H304 PolarHBondContact O-N 2.94Å; S226-H304 PolarHBondContact OG-O 2.84Å; H304-G349 WeakPolarHBondContact CA-O 3.41Å; H304-T350 PolarHBondContact ND1-OG1 3.44Å
305	F	95.3	Very high	92.2	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.8	-179.8	75.4	-89.2	0	0	0	112	Y222 T224 Y225 M307 V346 E348 G349 M351 L462	Y222-F305 HydrophobicContact CD1-CB 4.04Å; Y222-F305 AromaticContact CD1-CD2 3.96Å; Y222-F305 HydrophobicContact CD1-CD2 3.96Å; Y222-F305 HydrophobicContact CD1-CG 4.26Å; Y222-F305 HydrophobicContact CE1-CB 4.07Å; Y222-F305 AromaticContact CE1-CD2 3.55Å; Y222-F305 HydrophobicContact CE1-CD2 3.55Å; Y222-F305 HydrophobicContact CE1-CE2 4.18Å; Y222-F305 AromaticContact CE1-CG 3.86Å; Y222-F305 HydrophobicContact CE1-CG 3.86Å; T224-F305 VanDerWaalsContact O-CA 3.27Å; T224-F305 WeakPolarHBondContact O-CA 3.45Å; Y225-F305 HydrophobicContact CD2-CB 3.62Å; Y225-F305 HydrophobicContact CE2-CB 4.3Å; Y225-F305 HydrophobicContact CG-CB 4.41Å; F305-M307 HydrophobicContact CD2-CE 4.26Å; F305-M307 HydrophobicContact CD2-SD 4.25Å; F305-M307 HydrophobicContact CE2-CE 3.79Å; F305-M307 HydrophobicContact CE2-CG 4.33Å; F305-M307 HydrophobicContact CE2-SD 4.24Å; F305-V346 HydrophobicContact CE2-CG1 4.02Å; F305-V346 HydrophobicContact CZ-CG1 3.78Å; F305-E348 WeakPolarHBondContact O-CA 3.32Å; F305-E348 WeakPolarHBondContact O-CG 3.36Å; F305-G349 VanDerWaalsContact CD1-O 3.28Å; F305-G349 WeakPolarHBondContact CD1-O 3.37Å; F305-G349 VanDerWaalsContact CE1-C 3.49Å; F305-G349 PolarHBondContact N-O 3.29Å; F305-G349 PolarHBondContact O-N 3.46Å; F305-M351 HydrophobicContact CD1-CE 3.75Å; F305-M351 HydrophobicContact CD1-CG 3.87Å; F305-M351 HydrophobicContact CD1-SD 4.2Å; F305-M351 HydrophobicContact CE1-CE 3.56Å; F305-M351 HydrophobicContact CE1-CG 4.15Å; F305-M351 HydrophobicContact CE1-SD 3.91Å; F305-M351 HydrophobicContact CG-CE 4.44Å; F305-M351 HydrophobicContact CZ-CE 4.15Å; F305-L462 HydrophobicContact CE1-CG 4.28Å; F305-L462 HydrophobicContact CZ-CD2 4.13Å; F305-L462 HydrophobicContact CZ-CG 4.35Å
306	K	96.7	Very high	92.6	Very high	94 Å²	94	32.9 Å²	32.9	41%	0.409	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.1	172.7	-166.8	175.1	-173.1	113.5	0	109.9	H223 T224 E348	H223-K306 WeakPolarHBondContact CA-O 3.32Å; H223-K306 WeakPolarHBondContact CB-O 3.47Å; H223-K306 PolarHBondContact N-O 3.32Å; T224-K306 PolarHBondContact N-O 3.39Å; T224-K306 VanDerWaalsContact N-O 3.16Å; T224-K306 PolarHBondContact O-N 3.34Å; T224-K306 WeakPolarHBondContact OG1-CB 3.49Å; K306-E348 HydrophobicContact CB-CG 4.44Å; K306-E348 WeakPolarHBondContact CE-OE2 3.47Å; K306-E348 HydrophobicContact CG-CB 4.35Å; K306-E348 HydrophobicContact CG-CG 4.38Å; K306-E348 IonicContact NZ-OE2 3.16Å; K306-E348 PolarHBondContact NZ-OE2 2.88Å
307	M	97.1	Very high	93.1	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	156.5	174.5	-61.5	-53.9	-164.5	0	0	111.2	G162 T163 L178 Y222 F305 V346 T347	G162-M307 VanDerWaalsContact C-CE 3.43Å; G162-M307 WeakPolarHBondContact O-CE 3.5Å; T163-M307 HydrophobicContact CG2-CE 4.14Å; L178-M307 HydrophobicContact CD1-CE 4.45Å; L178-M307 HydrophobicContact CD1-CG 4.48Å; Y222-M307 HydrophobicContact CD1-CE 4.49Å; Y222-M307 HydrophobicContact CD1-SD 3.97Å; Y222-M307 HydrophobicContact CD2-SD 4.35Å; Y222-M307 HydrophobicContact CE1-CE 3.86Å; Y222-M307 HydrophobicContact CE1-SD 3.95Å; Y222-M307 HydrophobicContact CE2-CE 4.12Å; Y222-M307 HydrophobicContact CE2-SD 4.31Å; Y222-M307 HydrophobicContact CG-SD 4.18Å; F305-M307 HydrophobicContact CD2-CE 4.26Å; F305-M307 HydrophobicContact CD2-SD 4.25Å; F305-M307 HydrophobicContact CE2-CE 3.79Å; F305-M307 HydrophobicContact CE2-CG 4.33Å; F305-M307 HydrophobicContact CE2-SD 4.24Å; M307-V346 WeakPolarHBondContact CG-O 3.39Å; M307-T347 WeakPolarHBondContact CB-O 3.39Å; M307-T347 PolarHBondContact N-O 2.84Å
308	R	96.3	Very high	93.6	Very high	40 Å²	40	36 Å²	36	15%	0.151	18%	0.183	C	C	.	.			trans	-62.6	147.3	171.3	-172.2	-177.2	-71.8	-82.7	-6.9	110.1	Y220 N221 N310 L312	Y220-R308 PolarHBondContact O-NE 2.9Å; Y220-R308 PolarHBondContact O-NH2 2.7Å; N221-R308 WeakPolarHBondContact O-CB 3.31Å; N221-R308 PolarHBondContact O-N 2.81Å; R308-N310 WeakPolarHBondContact CD-O 3.26Å; R308-N310 WeakPolarHBondContact CG-O 3.4Å; R308-L312 HydrophobicContact CB-CD2 4.07Å; R308-L312 WeakPolarHBondContact O-CD2 3.25Å
309	S	94.1	Very high	94.1	Very high	94 Å²	94	36.4 Å²	36.4	66%	0.657	18%	0.184	S	C	*	.	S	Bend	trans	-90.4	-13.4	-176.6	52.9	0	0	0	0	114.6
310	N	95.8	Very high	94.4	Very high	84 Å²	84	36.8 Å²	36.8	45%	0.449	19%	0.187	S	C	.	.	S	Bend	trans	-154	167.2	-178.5	66.3	-5.5	0	0	0	111.3	R308 L312 L476	R308-N310 WeakPolarHBondContact CD-O 3.26Å; R308-N310 WeakPolarHBondContact CG-O 3.4Å; N310-L312 PolarHBondContact O-N 3.31Å; N310-L312 VanDerWaalsContact O-N 3.16Å; N310-L476 CarbonylContact C-O 3.54Å
311	Q	95.1	Very high	94.7	Very high	104 Å²	104	37.3 Å²	37.3	49%	0.486	19%	0.193	S	C	.	.	S	Bend	trans	53.1	34.5	-179.8	-60.8	-66.7	-46.9	0	0	112.3	Y220 L476 T478	Y220-Q311 WeakPolarHBondContact CE1-O 3.23Å; Q311-L476 WeakPolarHBondContact CA-O 3.03Å; Q311-L476 PolarHBondContact N-O 2.72Å; Q311-T478 HydrophobicContact CB-CG2 4.45Å
312	L	97.1	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-58.4	139.3	176.7	-69.7	169.8	0	0	0	110.1	L178 R308 N310 Y345 L476 S477 T478	L178-L312 HydrophobicContact CD1-CD2 4.13Å; L178-L312 HydrophobicContact CD2-CB 3.99Å; L178-L312 HydrophobicContact CD2-CD1 4.22Å; L178-L312 HydrophobicContact CD2-CD2 4.31Å; L178-L312 HydrophobicContact CD2-CG 4.41Å; R308-L312 HydrophobicContact CB-CD2 4.07Å; R308-L312 WeakPolarHBondContact O-CD2 3.25Å; N310-L312 PolarHBondContact O-N 3.31Å; N310-L312 VanDerWaalsContact O-N 3.16Å; L312-Y345 HydrophobicContact CD1-CE2 4.21Å; L312-L476 HydrophobicContact CD1-CB 4.1Å; L312-L476 PolarHBondContact N-O 2.91Å; L312-S477 CarbonylContact O-C 3.49Å; L312-S477 WeakPolarHBondContact O-CA 3.04Å; L312-S477 WeakPolarHBondContact O-CB 3.39Å; L312-T478 PolarHBondContact O-N 2.94Å
313	M	96.9	Very high	94.9	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.03	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-93.7	116.4	171	-170.5	57.4	76	0	0	109.3	R117 D179 Y182 N221 T478	R117-M313 HydrophobicContact CG-SD 4.24Å; D179-M313 HydrophobicContact CB-CG 4.32Å; D179-M313 PolarHBondContact N-O 3.44Å; Y182-M313 HydrophobicContact CD1-CB 3.46Å; Y182-M313 VanDerWaalsContact CD1-CB 3.46Å; Y182-M313 HydrophobicContact CD1-CE 4.23Å; Y182-M313 HydrophobicContact CD1-CG 3.52Å; Y182-M313 HydrophobicContact CD2-CG 4.29Å; Y182-M313 HydrophobicContact CE1-CB 3.85Å; Y182-M313 HydrophobicContact CE1-CE 3.61Å; Y182-M313 HydrophobicContact CE1-CG 3.91Å; Y182-M313 HydrophobicContact CE2-CE 4.05Å; Y182-M313 HydrophobicContact CG-CB 4.14Å; Y182-M313 HydrophobicContact CG-CG 3.73Å; Y182-M313 VanDerWaalsContact CZ-CE 3.5Å; N221-M313 PolarHBondContact ND2-O 3.23Å; N221-M313 PolarHBondContact OD1-N 3.02Å; M313-T478 HydrophobicContact CE-CG2 4.22Å
314	L	97.4	Very high	94.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-73.6	148.2	177	-59.7	178	0	0	0	110.3	R117 V177 L178 F318 L322 A479	R117-L314 PolarHBondContact NH1-O 2.87Å; V177-L314 WeakPolarHBondContact O-CA 3.35Å; L178-L314 HydrophobicContact CD2-CD2 4.13Å; L314-F318 HydrophobicContact CB-CD1 4.13Å; L314-F318 HydrophobicContact CD1-CD1 3.9Å; L314-F318 HydrophobicContact CD1-CE1 3.91Å; L314-F318 HydrophobicContact CD2-CD1 4.04Å; L314-F318 HydrophobicContact CD2-CE1 3.97Å; L314-F318 HydrophobicContact CG-CD1 4.23Å; L314-F318 HydrophobicContact CG-CE1 4.44Å; L314-L322 HydrophobicContact CD1-CD2 4Å; L314-A479 HydrophobicContact CD1-CB 3.84Å
315	H	97.4	Very high	94.7	Very high	26 Å²	26	36.9 Å²	36.9	12%	0.12	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61.1	144.4	169.1	-169.1	-87.2	0	0	0	110	Q176 V177 D317 F318 Y319	Q176-H315 HydrophobicContact CB-CB 3.97Å; Q176-H315 VanDerWaalsContact CB-CD2 3.4Å; Q176-H315 WeakPolarHBondContact CB-CD2 3.21Å; V177-H315 PolarHBondContact O-N 3.21Å; H315-D317 IonicContact CE1-OD2 3.35Å; H315-D317 PolarHBondContact CE1-OD2 3.27Å; H315-D317 VanDerWaalsContact CE1-OD2 3.29Å; H315-D317 PolarHBondContact ND1-N 3.1Å; H315-D317 IonicContact ND1-OD2 2.64Å; H315-D317 PolarHBondContact O-N 3.42Å; H315-F318 HydrophobicContact CB-CB 4.19Å; H315-F318 WeakPolarHBondContact O-CB 3.36Å; H315-F318 PolarHBondContact O-N 3.42Å; H315-F318 VanDerWaalsContact O-N 3.16Å; H315-Y319 PolarHBondContact O-N 3.32Å
316	E	94.4	Very high	94.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-44.9	-174.7	-60.8	-160.9	-175.2	0	0	112.3	T115 R117 C131 D132 F318 Y319 I320	T115-E316 WeakPolarHBondContact CB-OE2 3.28Å; T115-E316 HydrophobicContact CG2-CB 4.06Å; T115-E316 WeakPolarHBondContact CG2-OE2 3.07Å; T115-E316 PolarHBondContact OG1-OE2 3.13Å; R117-E316 IonicContact CZ-OE1 2.63Å; R117-E316 IonicContact NE-OE1 3.86Å; R117-E316 PolarHBondContact NE-OE1 2.91Å; R117-E316 VanDerWaalsContact NH1-CG 3.33Å; R117-E316 IonicContact NH1-OE1 2.72Å; R117-E316 IonicContact NH2-OE1 2.94Å; R117-E316 PolarHBondContact NH2-OE1 2.88Å; C131-E316 WeakPolarHBondContact CA-OE1 3.46Å; D132-E316 HydrophobicContact CB-CG 4.4Å; D132-E316 PolarHBondContact N-OE1 3.17Å; D132-E316 WeakPolarHBondContact OD2-CB 3.37Å; D132-E316 WeakPolarHBondContact OD2-CG 3.27Å; E316-F318 VanDerWaalsContact C-N 3.28Å; E316-F318 PolarHBondContact O-N 3.41Å; E316-Y319 WeakPolarHBondContact O-CB 3.35Å; E316-Y319 PolarHBondContact O-N 2.79Å; E316-Y319 VanDerWaalsContact O-N 3.09Å; E316-I320 VanDerWaalsContact O-CG1 3.32Å; E316-I320 WeakPolarHBondContact O-CG1 3.29Å; E316-I320 PolarHBondContact O-N 3.16Å
317	D	94.6	Very high	94	Very high	101 Å²	101	39.8 Å²	39.8	54%	0.54	21%	0.209	S	C	.	.	H	α-helix	trans	-57.1	-40.2	174.4	-67.2	-30.5	0	0	0	113.3	H315 A321	H315-D317 IonicContact CE1-OD2 3.35Å; H315-D317 PolarHBondContact CE1-OD2 3.27Å; H315-D317 VanDerWaalsContact CE1-OD2 3.29Å; H315-D317 PolarHBondContact ND1-N 3.1Å; H315-D317 IonicContact ND1-OD2 2.64Å; H315-D317 PolarHBondContact O-N 3.42Å; D317-A321 VanDerWaalsContact O-CB 3.32Å; D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 3.47Å
318	F	96.5	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-41.7	177.2	-178.7	-86.6	0	0	0	110.8	V177 L314 H315 E316 L322 F337 F341 I470 V474	V177-F318 HydrophobicContact CB-CD2 4.26Å; V177-F318 HydrophobicContact CB-CE2 4.42Å; V177-F318 HydrophobicContact CG1-CD2 4.13Å; V177-F318 HydrophobicContact CG1-CE1 4.35Å; V177-F318 HydrophobicContact CG1-CE2 3.94Å; V177-F318 HydrophobicContact CG1-CG 4.45Å; V177-F318 HydrophobicContact CG1-CZ 4.03Å; V177-F318 HydrophobicContact CG2-CD2 4.01Å; V177-F318 HydrophobicContact CG2-CE2 4.04Å; L314-F318 HydrophobicContact CB-CD1 4.13Å; L314-F318 HydrophobicContact CD1-CD1 3.9Å; L314-F318 HydrophobicContact CD1-CE1 3.91Å; L314-F318 HydrophobicContact CD2-CD1 4.04Å; L314-F318 HydrophobicContact CD2-CE1 3.97Å; L314-F318 HydrophobicContact CG-CD1 4.23Å; L314-F318 HydrophobicContact CG-CE1 4.44Å; H315-F318 HydrophobicContact CB-CB 4.19Å; H315-F318 WeakPolarHBondContact O-CB 3.36Å; H315-F318 PolarHBondContact O-N 3.42Å; H315-F318 VanDerWaalsContact O-N 3.16Å; E316-F318 VanDerWaalsContact C-N 3.28Å; E316-F318 PolarHBondContact O-N 3.41Å; F318-L322 HydrophobicContact CE1-CD2 4.47Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 PolarHBondContact O-N 3.42Å; F318-F337 HydrophobicContact CD2-CE2 4.49Å; F318-F337 AromaticContact CD2-CZ 3.9Å; F318-F337 HydrophobicContact CD2-CZ 3.9Å; F318-F337 HydrophobicContact CE1-CZ 4.19Å; F318-F337 AromaticContact CE2-CE1 3.76Å; F318-F337 HydrophobicContact CE2-CE1 3.76Å; F318-F337 HydrophobicContact CE2-CE2 4.28Å; F318-F337 AromaticContact CE2-CZ 3.31Å; F318-F337 HydrophobicContact CE2-CZ 3.31Å; F318-F337 AromaticContact CZ-CE1 3.99Å; F318-F337 HydrophobicContact CZ-CE1 3.99Å; F318-F337 AromaticContact CZ-CZ 3.5Å; F318-F337 HydrophobicContact CZ-CZ 3.5Å; F318-F337 VanDerWaalsContact CZ-CZ 3.5Å; F318-F341 HydrophobicContact CB-CD1 4.25Å; F318-F341 HydrophobicContact CB-CE1 3.94Å; F318-F341 HydrophobicContact CB-CZ 4.34Å; F318-F341 HydrophobicContact CD2-CB 3.8Å; F318-F341 AromaticContact CD2-CD1 3.54Å; F318-F341 HydrophobicContact CD2-CD1 3.54Å; F318-F341 AromaticContact CD2-CD2 3.96Å; F318-F341 HydrophobicContact CD2-CD2 3.96Å; F318-F341 HydrophobicContact CD2-CE1 4.02Å; F318-F341 HydrophobicContact CD2-CE2 4.42Å; F318-F341 AromaticContact CD2-CG 3.49Å; F318-F341 HydrophobicContact CD2-CG 3.49Å; F318-F341 VanDerWaalsContact CD2-CG 3.49Å; F318-F341 HydrophobicContact CD2-CZ 4.44Å; F318-F341 HydrophobicContact CE2-CB 3.82Å; F318-F341 HydrophobicContact CE2-CD1 4.42Å; F318-F341 HydrophobicContact CE2-CD2 4.35Å; F318-F341 AromaticContact CE2-CG 3.96Å; F318-F341 HydrophobicContact CE2-CG 3.96Å; F318-F341 HydrophobicContact CG-CD1 4.38Å; F318-F341 HydrophobicContact CG-CE1 4.48Å; F318-I470 HydrophobicContact CE2-CD1 3.58Å; F318-I470 HydrophobicContact CE2-CG1 3.95Å; F318-I470 HydrophobicContact CZ-CD1 4.14Å; F318-I470 HydrophobicContact CZ-CG1 3.99Å; F318-V474 HydrophobicContact CE1-CG2 3.81Å; F318-V474 HydrophobicContact CZ-CG2 3.99Å
319	Y	94.8	Very high	93.4	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-46.9	177.1	178.2	-93.7	0	0	0	111.8	T115 G116 R117 H315 E316 L322 M323 A479 H482	T115-Y319 WeakPolarHBondContact O-CD1 3.34Å; T115-Y319 WeakPolarHBondContact O-CE1 3.48Å; G116-Y319 VanDerWaalsContact C-CE1 3.47Å; G116-Y319 VanDerWaalsContact O-CE1 3.26Å; G116-Y319 WeakPolarHBondContact O-CE1 3.25Å; G116-Y319 PolarHBondContact O-OH 3.36Å; R117-Y319 HydrophobicContact CB-CD1 4.5Å; H315-Y319 PolarHBondContact O-N 3.32Å; E316-Y319 WeakPolarHBondContact O-CB 3.35Å; E316-Y319 PolarHBondContact O-N 2.79Å; E316-Y319 VanDerWaalsContact O-N 3.09Å; Y319-L322 WeakPolarHBondContact O-CB 3.36Å; Y319-L322 PolarHBondContact O-N 2.88Å; Y319-M323 HydrophobicContact CD1-CG 4.35Å; Y319-M323 HydrophobicContact CD2-CE 3.92Å; Y319-M323 HydrophobicContact CE1-CE 4.3Å; Y319-M323 HydrophobicContact CE1-CG 4.01Å; Y319-M323 HydrophobicContact CE2-CE 3.21Å; Y319-M323 HydrophobicContact CE2-CG 4.42Å; Y319-M323 VanDerWaalsContact CZ-CE 3.45Å; Y319-M323 WeakPolarHBondContact O-CG 3.47Å; Y319-M323 PolarHBondContact O-N 3.31Å; Y319-A479 HydrophobicContact CD2-CB 3.73Å; Y319-A479 HydrophobicContact CE2-CB 3.58Å; Y319-H482 AromaticContact CE2-ND1 3.97Å; Y319-H482 PolarHBondContact OH-ND1 3.44Å
320	I	91.6	Very high	93.3	Very high	51 Å²	51	44.6 Å²	44.6	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-54	176.2	-66.1	164.9	0	0	0	109.6	T115 E316 L322 M323 E324	T115-I320 HydrophobicContact CG2-CD1 3.7Å; T115-I320 HydrophobicContact CG2-CG1 4.44Å; E316-I320 VanDerWaalsContact O-CG1 3.32Å; E316-I320 WeakPolarHBondContact O-CG1 3.29Å; E316-I320 PolarHBondContact O-N 3.16Å; I320-L322 PolarHBondContact O-N 3.13Å; I320-M323 PolarHBondContact O-N 2.94Å; I320-E324 HydrophobicContact CG2-CG 4.43Å; I320-E324 WeakPolarHBondContact O-CG 3.13Å; I320-E324 PolarHBondContact O-N 3.18Å
321	A	93.2	Very high	93.1	Very high	19 Å²	19	41.2 Å²	41.2	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-32.8	-179.1	0	0	0	0	0	112.6	D317 L325 F337 F341	D317-A321 VanDerWaalsContact O-CB 3.32Å; D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 3.47Å; A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.33Å; A321-F337 HydrophobicContact CB-CD2 3.97Å; A321-F337 HydrophobicContact CB-CE2 3.85Å; A321-F341 HydrophobicContact CB-CE2 3.45Å; A321-F341 VanDerWaalsContact CB-CE2 3.45Å; A321-F341 HydrophobicContact CB-CZ 3.8Å
322	L	94.3	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-44.8	173.4	172.5	67.9	0	0	0	110.9	L314 F318 Y319 I320 E324 L325 F337 V474 A483 R486 L490	L314-L322 HydrophobicContact CD1-CD2 4Å; F318-L322 HydrophobicContact CE1-CD2 4.47Å; F318-L322 WeakPolarHBondContact O-CB 3.46Å; F318-L322 PolarHBondContact O-N 3.42Å; Y319-L322 WeakPolarHBondContact O-CB 3.36Å; Y319-L322 PolarHBondContact O-N 2.88Å; I320-L322 PolarHBondContact O-N 3.13Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-E324 PolarHBondContact O-N 3.34Å; L322-L325 HydrophobicContact CD1-CD1 4.19Å; L322-L325 VanDerWaalsContact O-CB 3.31Å; L322-L325 WeakPolarHBondContact O-CB 3.41Å; L322-L325 PolarHBondContact O-N 3.42Å; L322-L325 VanDerWaalsContact O-N 3.16Å; L322-F337 HydrophobicContact CB-CE2 4.26Å; L322-F337 HydrophobicContact CB-CZ 4.41Å; L322-V474 HydrophobicContact CD1-CG1 4.29Å; L322-V474 HydrophobicContact CD1-CG2 4.15Å; L322-V474 HydrophobicContact CD2-CB 4.5Å; L322-V474 HydrophobicContact CD2-CG1 3.66Å; L322-V474 HydrophobicContact CD2-CG2 4Å; L322-A483 HydrophobicContact CD2-CB 4.22Å; L322-R486 HydrophobicContact CD1-CB 4.5Å; L322-R486 VanDerWaalsContact O-CD 3.26Å; L322-R486 WeakPolarHBondContact O-CD 3.46Å; L322-L490 HydrophobicContact CD1-CD1 3.74Å
323	M	90.3	Very high	92.6	Very high	34 Å²	34	37.3 Å²	37.3	17%	0.167	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-30.6	-179.9	-67.3	-53.6	169.9	0	0	113	Y105 Y319 I320 L325 A479 H482 R486	Y105-M323 HydrophobicContact CE2-SD 4.42Å; Y319-M323 HydrophobicContact CD1-CG 4.35Å; Y319-M323 HydrophobicContact CD2-CE 3.92Å; Y319-M323 HydrophobicContact CE1-CE 4.3Å; Y319-M323 HydrophobicContact CE1-CG 4.01Å; Y319-M323 HydrophobicContact CE2-CE 3.21Å; Y319-M323 HydrophobicContact CE2-CG 4.42Å; Y319-M323 VanDerWaalsContact CZ-CE 3.45Å; Y319-M323 WeakPolarHBondContact O-CG 3.47Å; Y319-M323 PolarHBondContact O-N 3.31Å; I320-M323 PolarHBondContact O-N 2.94Å; M323-L325 PolarHBondContact O-N 3.49Å; M323-A479 HydrophobicContact CE-CB 4.45Å; M323-H482 HydrophobicContact CE-CB 3.25Å; M323-H482 HydrophobicContact SD-CB 4.26Å; M323-R486 PolarHBondContact O-NH2 3.22Å
324	E	88.4	Confident	92.5	Very high	93 Å²	93	37 Å²	37	44%	0.435	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.6	172	-70.2	-179.3	175.6	0	0	113.3	T63 I320 L322	T63-E324 HydrophobicContact CG2-CB 4.27Å; T63-E324 HydrophobicContact CG2-CG 3.64Å; T63-E324 WeakPolarHBondContact CG2-OE1 3.35Å; I320-E324 HydrophobicContact CG2-CG 4.43Å; I320-E324 WeakPolarHBondContact O-CG 3.13Å; I320-E324 PolarHBondContact O-N 3.18Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-E324 PolarHBondContact O-N 3.34Å
325	L	90.7	Very high	92.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-65.3	136	176.1	-65.1	-179.9	0	0	0	110.7	A321 L322 M323 V333 Y334 F337 R486 L490	A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.33Å; L322-L325 HydrophobicContact CD1-CD1 4.19Å; L322-L325 VanDerWaalsContact O-CB 3.31Å; L322-L325 WeakPolarHBondContact O-CB 3.41Å; L322-L325 PolarHBondContact O-N 3.42Å; L322-L325 VanDerWaalsContact O-N 3.16Å; M323-L325 PolarHBondContact O-N 3.49Å; L325-V333 HydrophobicContact CD2-CG1 3.73Å; L325-Y334 HydrophobicContact CB-CE1 4.38Å; L325-Y334 HydrophobicContact CB-CE2 4.23Å; L325-Y334 HydrophobicContact CD1-CD1 3.95Å; L325-Y334 HydrophobicContact CD1-CE1 3.74Å; L325-Y334 HydrophobicContact CD2-CD2 4.35Å; L325-Y334 HydrophobicContact CD2-CG 4.4Å; L325-F337 HydrophobicContact CD1-CD1 4.36Å; L325-F337 HydrophobicContact CD1-CD2 4.07Å; L325-F337 HydrophobicContact CD1-CE2 4.32Å; L325-F337 HydrophobicContact CD1-CG 4.09Å; L325-F337 HydrophobicContact CD2-CB 3.97Å; L325-F337 HydrophobicContact CD2-CD2 4.2Å; L325-F337 HydrophobicContact CD2-CG 4.23Å; L325-F337 HydrophobicContact CG-CD2 4.27Å; L325-R486 HydrophobicContact CB-CG 4.33Å; L325-R486 PolarHBondContact O-NE 2.95Å; L325-R486 PolarHBondContact O-NH2 3.48Å; L325-L490 HydrophobicContact CD1-CD1 4.42Å; L325-L490 HydrophobicContact CD1-CD2 3.97Å; L325-L490 HydrophobicContact CD1-CG 4.17Å
326	P	89	Confident	91.9	Very high	45 Å²	45	39.8 Å²	39.8	29%	0.292	19%	0.194	S	C	.	.			trans	-71.1	141	176.9	27.7	-32.6	0	0	0	110.9	Q328 D330 Y334	P326-Q328 WeakPolarHBondContact CB-O 3.37Å; P326-Q328 WeakPolarHBondContact CG-O 3.36Å; P326-Q328 PolarHBondContact O-N 3.35Å; P326-D330 HydrophobicContact CG-CB 4.39Å; P326-Y334 HydrophobicContact CG-CE2 4.06Å; P326-Y334 WeakPolarHBondContact O-CE2 3.24Å; P326-Y334 PolarHBondContact O-OH 3.23Å
327	E	88.4	Confident	91.8	Very high	113 Å²	113	40.2 Å²	40.2	53%	0.528	20%	0.196	S	C	.	.	S	Bend	trans	-67	-27.2	172.7	-68	-175.3	-177.1	0	0	112.4	R486 N489	E327-R486 IonicContact OE1-CZ 3.7Å; E327-R486 IonicContact OE1-NH1 3.07Å; E327-R486 PolarHBondContact OE1-NH1 2.81Å; E327-R486 IonicContact OE1-NH2 2.74Å; E327-N489 PolarHBondContact O-ND2 3.06Å
328	Q	89.9	Confident	91.8	Very high	142 Å²	142	35.4 Å²	35.4	66%	0.664	17%	0.17	S	C	*	.	S	Bend	trans	-78.2	127.1	167.1	-173.9	172.7	15	0	0	109.3	P326 D330	P326-Q328 WeakPolarHBondContact CB-O 3.37Å; P326-Q328 WeakPolarHBondContact CG-O 3.36Å; P326-Q328 PolarHBondContact O-N 3.35Å; Q328-D330 PolarHBondContact O-N 3.2Å
329	Y	92.1	Very high	91.4	Very high	69 Å²	69	36.4 Å²	36.4	27%	0.271	18%	0.175	S	C	.	.			trans	-59.4	122.9	-179.3	-174.9	-108.4	0	0	0	112.2	F331 N489 R492 A493 E496	Y329-F331 HydrophobicContact CE1-CB 4.29Å; Y329-N489 HydrophobicContact CD2-CB 3.86Å; Y329-N489 WeakPolarHBondContact CE2-O 3.35Å; Y329-R492 HydrophobicContact CE2-CB 3.9Å; Y329-A493 HydrophobicContact CE2-CB 4.06Å; Y329-A493 WeakPolarHBondContact OH-CA 3.33Å; Y329-E496 PolarHBondContact OH-OE2 3.47Å
330	D	91.7	Very high	91.3	Very high	33 Å²	33	38.2 Å²	38.2	18%	0.176	19%	0.187	C	C	.	.			trans	-135.5	112.5	169.4	-175.2	-69.9	0	0	0	108.9	T57 P326 Q328 G332 V333 Y334	T57-D330 HydrophobicContact CG2-CB 4.49Å; T57-D330 WeakPolarHBondContact CG2-OD2 3.31Å; P326-D330 HydrophobicContact CG-CB 4.39Å; Q328-D330 PolarHBondContact O-N 3.2Å; D330-G332 PolarHBondContact O-N 3.02Å; D330-G332 WeakPolarHBondContact OD1-CA 3.45Å; D330-G332 PolarHBondContact OD1-N 2.94Å; D330-V333 HydrophobicContact CB-CG2 4.35Å; D330-V333 PolarHBondContact O-N 3.18Å; D330-V333 PolarHBondContact OD1-N 2.86Å; D330-Y334 WeakPolarHBondContact O-CD2 3.41Å; D330-Y334 PolarHBondContact O-N 3.25Å
331	F	92.3	Very high	91.4	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.057	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-29.8	-176.3	178.8	-112.4	0	0	0	112.9	F69 H71 Y329 S335 E496 E500	F69-F331 AromaticContact CD1-CD1 3.72Å; F69-F331 HydrophobicContact CD1-CD1 3.72Å; F69-F331 HydrophobicContact CD1-CE1 4.13Å; F69-F331 AromaticContact CE1-CD1 3.5Å; F69-F331 HydrophobicContact CE1-CD1 3.5Å; F69-F331 AromaticContact CE1-CE1 3.47Å; F69-F331 HydrophobicContact CE1-CE1 3.47Å; F69-F331 VanDerWaalsContact CE1-CE1 3.47Å; F69-F331 HydrophobicContact CE2-CE1 4.38Å; F69-F331 HydrophobicContact CG-CD1 4.46Å; F69-F331 HydrophobicContact CZ-CD1 4.09Å; F69-F331 AromaticContact CZ-CE1 3.62Å; F69-F331 HydrophobicContact CZ-CE1 3.62Å; H71-F331 AromaticContact CE1-CD1 3.71Å; Y329-F331 HydrophobicContact CE1-CB 4.29Å; F331-S335 WeakPolarHBondContact O-CB 3.25Å; F331-S335 PolarHBondContact O-N 2.85Å; F331-S335 PolarHBondContact O-OG 3.43Å; F331-E496 HydrophobicContact CD1-CG 4.5Å; F331-E496 HydrophobicContact CD2-CB 3.81Å; F331-E496 HydrophobicContact CD2-CG 3.62Å; F331-E496 HydrophobicContact CE1-CG 4.38Å; F331-E496 HydrophobicContact CE2-CB 3.57Å; F331-E496 HydrophobicContact CE2-CG 3.5Å; F331-E496 VanDerWaalsContact CE2-CG 3.5Å; F331-E496 HydrophobicContact CG-CG 4.14Å; F331-E496 WeakPolarHBondContact CG-OE1 3.5Å; F331-E496 HydrophobicContact CZ-CB 4.35Å; F331-E496 HydrophobicContact CZ-CG 3.89Å; F331-E500 HydrophobicContact CE1-CG 4.35Å; F331-E500 HydrophobicContact CZ-CB 4.18Å; F331-E500 HydrophobicContact CZ-CG 4.46Å
332	G	90.1	Very high	91.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-44	-178	0	0	0	0	0	113.3	W88 D330 S335 R336	W88-G332 PolarHBondContact NE1-O 2.95Å; D330-G332 PolarHBondContact O-N 3.02Å; D330-G332 WeakPolarHBondContact OD1-CA 3.45Å; D330-G332 PolarHBondContact OD1-N 2.94Å; G332-S335 PolarHBondContact O-OG 3.36Å; G332-S335 VanDerWaalsContact O-OG 3.05Å; G332-R336 PolarHBondContact O-N 3.45Å
333	V	90.3	Very high	91.4	Very high	20 Å²	20	35.4 Å²	35.4	12%	0.121	17%	0.17	C	C	.	.	H	α-helix	trans	-70.9	-47	178	-172.1	0	0	0	0	110.6	T57 L67 L325 D330 R336 F337	T57-V333 HydrophobicContact CG2-CG2 3.57Å; L67-V333 HydrophobicContact CB-CG2 4.36Å; L325-V333 HydrophobicContact CD2-CG1 3.73Å; D330-V333 HydrophobicContact CB-CG2 4.35Å; D330-V333 PolarHBondContact O-N 3.18Å; D330-V333 PolarHBondContact OD1-N 2.86Å; V333-R336 PolarHBondContact O-N 3.36Å; V333-F337 PolarHBondContact O-N 2.8Å
334	Y	94.2	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-38.9	-178.4	-78	-107.3	0	0	0	112.4	L325 P326 D330 R336 F337 L338 N489 L490 A493	L325-Y334 HydrophobicContact CB-CE1 4.38Å; L325-Y334 HydrophobicContact CB-CE2 4.23Å; L325-Y334 HydrophobicContact CD1-CD1 3.95Å; L325-Y334 HydrophobicContact CD1-CE1 3.74Å; L325-Y334 HydrophobicContact CD2-CD2 4.35Å; L325-Y334 HydrophobicContact CD2-CG 4.4Å; P326-Y334 HydrophobicContact CG-CE2 4.06Å; P326-Y334 WeakPolarHBondContact O-CE2 3.24Å; P326-Y334 PolarHBondContact O-OH 3.23Å; D330-Y334 WeakPolarHBondContact O-CD2 3.41Å; D330-Y334 PolarHBondContact O-N 3.25Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 PolarHBondContact O-N 2.77Å; Y334-F337 WeakPolarHBondContact O-CB 3.37Å; Y334-F337 PolarHBondContact O-N 2.82Å; Y334-L338 WeakPolarHBondContact O-CG 3.26Å; Y334-L338 PolarHBondContact O-N 2.91Å; Y334-N489 HydrophobicContact CD1-CB 4.21Å; Y334-N489 HydrophobicContact CE1-CB 3.34Å; Y334-N489 HydrophobicContact CE2-CB 4.26Å; Y334-N489 VanDerWaalsContact OH-CB 3.25Å; Y334-N489 WeakPolarHBondContact OH-CB 3.35Å; Y334-N489 PolarHBondContact OH-ND2 2.85Å; Y334-N489 VanDerWaalsContact OH-ND2 3.12Å; Y334-L490 HydrophobicContact CD1-CD2 3.84Å; Y334-L490 HydrophobicContact CD1-CG 3.98Å; Y334-L490 HydrophobicContact CE1-CD2 4.26Å; Y334-L490 HydrophobicContact CE1-CG 3.92Å; Y334-A493 VanDerWaalsContact CB-CB 3.47Å; Y334-A493 HydrophobicContact CD1-CB 4Å; Y334-A493 HydrophobicContact CG-CB 4.08Å
335	S	92.6	Very high	91.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-34.2	175	58.6	0	0	0	0	112.3	W88 F331 G332 N339	W88-S335 PolarHBondContact NE1-OG 3.37Å; F331-S335 WeakPolarHBondContact O-CB 3.25Å; F331-S335 PolarHBondContact O-N 2.85Å; F331-S335 PolarHBondContact O-OG 3.43Å; G332-S335 PolarHBondContact O-OG 3.36Å; G332-S335 VanDerWaalsContact O-OG 3.05Å; S335-N339 WeakPolarHBondContact O-CB 3.2Å; S335-N339 PolarHBondContact O-N 3.29Å
336	R	89.9	Confident	92.1	Very high	87 Å²	87	29.7 Å²	29.7	33%	0.328	14%	0.143	S	C	.	.	H	α-helix	trans	-68.2	-42.2	174.2	-175.5	173.9	176.9	-175.3	-9.3	111.6	L67 G332 V333 Y334 L338 N339 T340	L67-R336 VanDerWaalsContact CD2-NH1 3.29Å; G332-R336 PolarHBondContact O-N 3.45Å; V333-R336 PolarHBondContact O-N 3.36Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 PolarHBondContact O-N 2.77Å; R336-L338 VanDerWaalsContact C-N 3.35Å; R336-L338 PolarHBondContact O-N 2.7Å; R336-N339 WeakPolarHBondContact O-CB 3.46Å; R336-N339 PolarHBondContact O-N 3.47Å; R336-N339 VanDerWaalsContact O-N 3.14Å; R336-T340 PolarHBondContact O-N 2.79Å; R336-T340 PolarHBondContact O-OG1 2.77Å
337	F	93.6	Very high	92.4	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.044	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-47.5	173.3	177.9	-86.3	0	0	0	111.7	F318 A321 L322 L325 V333 Y334 N339 T340 F341 L490	F318-F337 HydrophobicContact CD2-CE2 4.49Å; F318-F337 AromaticContact CD2-CZ 3.9Å; F318-F337 HydrophobicContact CD2-CZ 3.9Å; F318-F337 HydrophobicContact CE1-CZ 4.19Å; F318-F337 AromaticContact CE2-CE1 3.76Å; F318-F337 HydrophobicContact CE2-CE1 3.76Å; F318-F337 HydrophobicContact CE2-CE2 4.28Å; F318-F337 AromaticContact CE2-CZ 3.31Å; F318-F337 HydrophobicContact CE2-CZ 3.31Å; F318-F337 AromaticContact CZ-CE1 3.99Å; F318-F337 HydrophobicContact CZ-CE1 3.99Å; F318-F337 AromaticContact CZ-CZ 3.5Å; F318-F337 HydrophobicContact CZ-CZ 3.5Å; F318-F337 VanDerWaalsContact CZ-CZ 3.5Å; A321-F337 HydrophobicContact CB-CD2 3.97Å; A321-F337 HydrophobicContact CB-CE2 3.85Å; L322-F337 HydrophobicContact CB-CE2 4.26Å; L322-F337 HydrophobicContact CB-CZ 4.41Å; L325-F337 HydrophobicContact CD1-CD1 4.36Å; L325-F337 HydrophobicContact CD1-CD2 4.07Å; L325-F337 HydrophobicContact CD1-CE2 4.32Å; L325-F337 HydrophobicContact CD1-CG 4.09Å; L325-F337 HydrophobicContact CD2-CB 3.97Å; L325-F337 HydrophobicContact CD2-CD2 4.2Å; L325-F337 HydrophobicContact CD2-CG 4.23Å; L325-F337 HydrophobicContact CG-CD2 4.27Å; V333-F337 PolarHBondContact O-N 2.8Å; Y334-F337 WeakPolarHBondContact O-CB 3.37Å; Y334-F337 PolarHBondContact O-N 2.82Å; F337-N339 PolarHBondContact O-N 2.89Å; F337-T340 PolarHBondContact O-N 2.97Å; F337-T340 VanDerWaalsContact O-N 3.13Å; F337-F341 HydrophobicContact CD1-CD2 4.41Å; F337-F341 AromaticContact CD2-CD2 3.77Å; F337-F341 HydrophobicContact CD2-CD2 3.77Å; F337-F341 AromaticContact CD2-CE2 3.9Å; F337-F341 HydrophobicContact CD2-CE2 3.9Å; F337-F341 HydrophobicContact CE1-CD2 4.32Å; F337-F341 AromaticContact CE2-CD2 3.65Å; F337-F341 HydrophobicContact CE2-CD2 3.65Å; F337-F341 AromaticContact CE2-CE2 3.78Å; F337-F341 HydrophobicContact CE2-CE2 3.78Å; F337-F341 HydrophobicContact CG-CD2 4.15Å; F337-F341 AromaticContact CZ-CD2 3.95Å; F337-F341 HydrophobicContact CZ-CD2 3.95Å; F337-F341 HydrophobicContact CZ-CE2 4.47Å; F337-F341 PolarHBondContact O-N 3.33Å; F337-L490 HydrophobicContact CD1-CD2 3.64Å; F337-L490 HydrophobicContact CE1-CD1 4.48Å; F337-L490 HydrophobicContact CE1-CD2 3.68Å
338	L	94.3	Very high	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-27.2	176.5	-64.7	174.8	0	0	0	113.3	Y334 R336 G342 I470 L490 A493 I494 Y497	Y334-L338 WeakPolarHBondContact O-CG 3.26Å; Y334-L338 PolarHBondContact O-N 2.91Å; R336-L338 VanDerWaalsContact C-N 3.35Å; R336-L338 PolarHBondContact O-N 2.7Å; L338-G342 WeakPolarHBondContact CD2-O 3.07Å; L338-G342 CarbonylContact O-C 3.45Å; L338-G342 VanDerWaalsContact O-C 3.23Å; L338-G342 WeakPolarHBondContact O-CA 3.45Å; L338-G342 PolarHBondContact O-N 2.88Å; L338-I470 HydrophobicContact CD2-CG2 3.71Å; L338-L490 HydrophobicContact CD2-CD2 4.35Å; L338-A493 HydrophobicContact CD1-CB 4Å; L338-I494 HydrophobicContact CD1-CB 4.36Å; L338-I494 HydrophobicContact CD1-CG1 3.68Å; L338-I494 HydrophobicContact CD2-CD1 4.14Å; L338-I494 HydrophobicContact CD2-CG1 3.55Å; L338-I494 HydrophobicContact CG-CG1 4.28Å; L338-Y497 HydrophobicContact CB-CD2 4.24Å; L338-Y497 HydrophobicContact CB-CE2 4.41Å; L338-Y497 HydrophobicContact CB-CG 4.46Å; L338-Y497 HydrophobicContact CD1-CD2 4.33Å; L338-Y497 HydrophobicContact CD1-CG 4.08Å
339	N	88.1	Confident	92.8	Very high	20 Å²	20	20.3 Å²	20.3	11%	0.107	10%	0.099	C	C	.	.	H	α-helix	trans	-73.9	-32.5	174.2	-173.3	72.4	0	0	0	112.3	I269 S335 R336 F337	I269-N339 WeakPolarHBondContact CB-ND2 3.28Å; I269-N339 HydrophobicContact CD1-CB 4.37Å; I269-N339 PolarHBondContact O-ND2 2.88Å; S335-N339 WeakPolarHBondContact O-CB 3.2Å; S335-N339 PolarHBondContact O-N 3.29Å; R336-N339 WeakPolarHBondContact O-CB 3.46Å; R336-N339 PolarHBondContact O-N 3.47Å; R336-N339 VanDerWaalsContact O-N 3.14Å; F337-N339 PolarHBondContact O-N 2.89Å
340	T	91.3	Very high	92.8	Very high	48 Å²	48	17.8 Å²	17.8	29%	0.294	9%	0.091	S	C	.	.	H	α-helix	trans	-78.7	-46.5	178.5	-65.3	0	0	0	0	112.3	M174 D175 R336 F337	M174-T340 WeakPolarHBondContact CB-O 3.17Å; D175-T340 HydrophobicContact CB-CG2 4.46Å; D175-T340 PolarHBondContact N-O 3.3Å; D175-T340 VanDerWaalsContact OD2-CG2 3.25Å; D175-T340 WeakPolarHBondContact OD2-CG2 3.31Å; R336-T340 PolarHBondContact O-N 2.79Å; R336-T340 PolarHBondContact O-OG1 2.77Å; F337-T340 PolarHBondContact O-N 2.97Å; F337-T340 VanDerWaalsContact O-N 3.13Å
341	F	95.1	Very high	92.8	Very high	11 Å²	11	16.2 Å²	16.2	5%	0.048	8%	0.082	C	C	.	.	H	α-helix	trans	-105	-3.3	-174.2	-60.3	-74.2	0	0	0	113.7	G165 D175 V177 F318 A321 F337 I470	G165-F341 VanDerWaalsContact CA-O 3.27Å; G165-F341 WeakPolarHBondContact CA-O 3.27Å; D175-F341 HydrophobicContact CB-CD1 3.72Å; D175-F341 HydrophobicContact CB-CE1 3.92Å; V177-F341 HydrophobicContact CG2-CB 4.32Å; F318-F341 HydrophobicContact CB-CD1 4.25Å; F318-F341 HydrophobicContact CB-CE1 3.94Å; F318-F341 HydrophobicContact CB-CZ 4.34Å; F318-F341 HydrophobicContact CD2-CB 3.8Å; F318-F341 AromaticContact CD2-CD1 3.54Å; F318-F341 HydrophobicContact CD2-CD1 3.54Å; F318-F341 AromaticContact CD2-CD2 3.96Å; F318-F341 HydrophobicContact CD2-CD2 3.96Å; F318-F341 HydrophobicContact CD2-CE1 4.02Å; F318-F341 HydrophobicContact CD2-CE2 4.42Å; F318-F341 AromaticContact CD2-CG 3.49Å; F318-F341 HydrophobicContact CD2-CG 3.49Å; F318-F341 VanDerWaalsContact CD2-CG 3.49Å; F318-F341 HydrophobicContact CD2-CZ 4.44Å; F318-F341 HydrophobicContact CE2-CB 3.82Å; F318-F341 HydrophobicContact CE2-CD1 4.42Å; F318-F341 HydrophobicContact CE2-CD2 4.35Å; F318-F341 AromaticContact CE2-CG 3.96Å; F318-F341 HydrophobicContact CE2-CG 3.96Å; F318-F341 HydrophobicContact CG-CD1 4.38Å; F318-F341 HydrophobicContact CG-CE1 4.48Å; A321-F341 HydrophobicContact CB-CE2 3.45Å; A321-F341 VanDerWaalsContact CB-CE2 3.45Å; A321-F341 HydrophobicContact CB-CZ 3.8Å; F337-F341 HydrophobicContact CD1-CD2 4.41Å; F337-F341 AromaticContact CD2-CD2 3.77Å; F337-F341 HydrophobicContact CD2-CD2 3.77Å; F337-F341 AromaticContact CD2-CE2 3.9Å; F337-F341 HydrophobicContact CD2-CE2 3.9Å; F337-F341 HydrophobicContact CE1-CD2 4.32Å; F337-F341 AromaticContact CE2-CD2 3.65Å; F337-F341 HydrophobicContact CE2-CD2 3.65Å; F337-F341 AromaticContact CE2-CE2 3.78Å; F337-F341 HydrophobicContact CE2-CE2 3.78Å; F337-F341 HydrophobicContact CG-CD2 4.15Å; F337-F341 AromaticContact CZ-CD2 3.95Å; F337-F341 HydrophobicContact CZ-CD2 3.95Å; F337-F341 HydrophobicContact CZ-CE2 4.47Å; F337-F341 PolarHBondContact O-N 3.33Å; F341-I470 HydrophobicContact CB-CD1 3.85Å; F341-I470 WeakPolarHBondContact O-CD1 3.43Å
342	G	93.2	Very high	92.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.			trans	85.3	180	-177.2	0	0	0	0	0	114.1	L338 I470	L338-G342 WeakPolarHBondContact CD2-O 3.07Å; L338-G342 CarbonylContact O-C 3.45Å; L338-G342 VanDerWaalsContact O-C 3.23Å; L338-G342 WeakPolarHBondContact O-CA 3.45Å; L338-G342 PolarHBondContact O-N 2.88Å; G342-I470 WeakPolarHBondContact O-CD1 3.09Å
343	T	93.6	Very high	92.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-98.4	-21.5	-176.5	54.4	0	0	0	0	113	Y166 L168 I470 Y497 L498	Y166-T343 PolarHBondContact O-N 3.43Å; Y166-T343 PolarHBondContact O-OG1 2.94Å; Y166-T343 VanDerWaalsContact O-OG1 3.1Å; L168-T343 PolarHBondContact N-OG1 2.87Å; T343-I470 PolarHBondContact O-N 3.47Å; T343-Y497 HydrophobicContact CG2-CD1 3.83Å; T343-Y497 HydrophobicContact CG2-CE1 3.98Å; T343-L498 HydrophobicContact CG2-CD2 4.18Å
344	H	94.4	Very high	92.6	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.023	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.8	-173.5	-68.2	75.5	0	0	0	109.4	G165 Y166 I467 L468	G165-H344 CarbonylContact C-O 3.45Å; G165-H344 WeakPolarHBondContact CA-O 2.97Å; Y166-H344 PolarHBondContact N-O 3.05Å; Y166-H344 PolarHBondContact O-N 3.01Å; H344-I467 HydrophobicContact CB-CB 4.04Å; H344-I467 HydrophobicContact CB-CD1 3.99Å; H344-I467 HydrophobicContact CB-CG1 4.34Å; H344-L468 CarbonylContact C-O 3.44Å; H344-L468 WeakPolarHBondContact CA-O 3.28Å; H344-L468 VanDerWaalsContact CB-O 3.26Å; H344-L468 WeakPolarHBondContact CB-O 2.98Å; H344-L468 VanDerWaalsContact CD2-C 3.46Å
345	Y	95.3	Very high	92.2	Very high	6 Å²	6	15.7 Å²	15.7	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.9	171	78.2	-73.4	0	0	0	109.7	L178 L312 T347 I467 L468 E472 A473	L178-Y345 HydrophobicContact CD1-CD2 4.31Å; L312-Y345 HydrophobicContact CD1-CE2 4.21Å; Y345-T347 HydrophobicContact CD2-CG2 4.42Å; Y345-T347 HydrophobicContact CE1-CG2 4.41Å; Y345-T347 HydrophobicContact CE2-CG2 3.7Å; Y345-I467 WeakPolarHBondContact O-CA 3.42Å; Y345-I467 WeakPolarHBondContact O-CB 3.38Å; Y345-L468 HydrophobicContact CD1-CB 4.19Å; Y345-L468 VanDerWaalsContact CD1-O 3.26Å; Y345-L468 WeakPolarHBondContact CD1-O 3.2Å; Y345-L468 HydrophobicContact CE1-CB 3.52Å; Y345-L468 PolarHBondContact N-O 2.97Å; Y345-L468 PolarHBondContact O-N 3.25Å; Y345-E472 HydrophobicContact CE1-CB 4.24Å; Y345-A473 HydrophobicContact CD1-CB 3.63Å; Y345-A473 HydrophobicContact CD2-CB 4.09Å; Y345-A473 HydrophobicContact CE1-CB 3.7Å; Y345-A473 HydrophobicContact CE2-CB 4.16Å; Y345-A473 HydrophobicContact CG-CB 3.82Å
346	V	94.9	Very high	91.9	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.1	-177.2	-179	0	0	0	0	111.2	F173 F305 M307 L462 F465 E466 I467	F173-V346 HydrophobicContact CE1-CG2 3.89Å; F305-V346 HydrophobicContact CE2-CG1 4.02Å; F305-V346 HydrophobicContact CZ-CG1 3.78Å; M307-V346 WeakPolarHBondContact CG-O 3.39Å; V346-L462 HydrophobicContact CB-CD2 4.33Å; V346-L462 HydrophobicContact CG1-CD2 3.92Å; V346-L462 HydrophobicContact CG2-CD2 3.76Å; V346-F465 HydrophobicContact CG1-CB 3.95Å; V346-F465 HydrophobicContact CG2-CD2 4.18Å; V346-E466 WeakPolarHBondContact CA-O 3.04Å; V346-I467 HydrophobicContact CG2-CG2 4.38Å
347	T	95.1	Very high	91.6	Very high	26 Å²	26	12.4 Å²	12.4	16%	0.16	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-30.3	178.6	51.1	0	0	0	0	113.9	M307 Y345 E466 L468	M307-T347 WeakPolarHBondContact CB-O 3.39Å; M307-T347 PolarHBondContact N-O 2.84Å; Y345-T347 HydrophobicContact CD2-CG2 4.42Å; Y345-T347 HydrophobicContact CE1-CG2 4.41Å; Y345-T347 HydrophobicContact CE2-CG2 3.7Å; T347-E466 PolarHBondContact N-O 3.5Å; T347-E466 PolarHBondContact OG1-O 2.97Å; T347-L468 HydrophobicContact CG2-CB 4.01Å; T347-L468 HydrophobicContact CG2-CD1 3.73Å; T347-L468 HydrophobicContact CG2-CG 3.71Å
348	E	94.4	Very high	91.3	Very high	68 Å²	68	12 Å²	12	32%	0.318	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150.5	-179.9	-178.5	164.8	165	0	0	108.1	F305 K306 F465 E466	F305-E348 WeakPolarHBondContact O-CA 3.32Å; F305-E348 WeakPolarHBondContact O-CG 3.36Å; K306-E348 HydrophobicContact CB-CG 4.44Å; K306-E348 WeakPolarHBondContact CE-OE2 3.47Å; K306-E348 HydrophobicContact CG-CB 4.35Å; K306-E348 HydrophobicContact CG-CG 4.38Å; K306-E348 IonicContact NZ-OE2 3.16Å; K306-E348 PolarHBondContact NZ-OE2 2.88Å; E348-F465 CarbonylContact O-C 3.56Å; E348-F465 VanDerWaalsContact O-CA 3.28Å; E348-F465 WeakPolarHBondContact O-CA 3.39Å; E348-E466 HydrophobicContact CB-CB 4.38Å; E348-E466 PolarHBondContact O-N 3.45Å
349	G	92.5	Very high	90.9	Very high	8 Å²	8	12 Å²	12	8%	0.082	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-176.3	176.2	0	0	0	0	0	115.3	H304 F305 D464	H304-G349 WeakPolarHBondContact CA-O 3.41Å; F305-G349 VanDerWaalsContact CD1-O 3.28Å; F305-G349 WeakPolarHBondContact CD1-O 3.37Å; F305-G349 VanDerWaalsContact CE1-C 3.49Å; F305-G349 PolarHBondContact N-O 3.29Å; F305-G349 PolarHBondContact O-N 3.46Å; G349-D464 CarbonylContact C-O 3.23Å; G349-D464 WeakPolarHBondContact CA-O 3.27Å
350	T	92.1	Very high	90.9	Very high	17 Å²	17	11 Å²	11	10%	0.104	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.1	178.2	-56.5	0	0	0	0	109	Q301 A303 H304 T463 D464	Q301-T350 HydrophobicContact CB-CG2 3.79Å; Q301-T350 HydrophobicContact CG-CG2 3.64Å; A303-T350 CarbonylContact O-C 3.45Å; A303-T350 WeakPolarHBondContact O-CA 3.18Å; A303-T350 WeakPolarHBondContact O-CG2 3.48Å; H304-T350 PolarHBondContact ND1-OG1 3.44Å; T350-T463 PolarHBondContact O-N 3.33Å; T350-T463 PolarHBondContact O-OG1 2.78Å; T350-D464 PolarHBondContact N-O 3.31Å
351	M	92.4	Very high	90.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.4	168.9	-64.6	-57	-172.5	0	0	109.6	G158 Y225 T302 A303 F305 P460 A461 L462	G158-M351 WeakPolarHBondContact O-CE 3.49Å; Y225-M351 HydrophobicContact CE2-CG 3.93Å; T302-M351 PolarHBondContact N-O 3.46Å; T302-M351 PolarHBondContact OG1-O 3.02Å; A303-M351 HydrophobicContact CB-CB 4.12Å; A303-M351 PolarHBondContact N-O 3.26Å; A303-M351 PolarHBondContact O-N 3.18Å; F305-M351 HydrophobicContact CD1-CE 3.75Å; F305-M351 HydrophobicContact CD1-CG 3.87Å; F305-M351 HydrophobicContact CD1-SD 4.2Å; F305-M351 HydrophobicContact CE1-CE 3.56Å; F305-M351 HydrophobicContact CE1-CG 4.15Å; F305-M351 HydrophobicContact CE1-SD 3.91Å; F305-M351 HydrophobicContact CG-CE 4.44Å; F305-M351 HydrophobicContact CZ-CE 4.15Å; M351-P460 HydrophobicContact CB-CB 3.97Å; M351-P460 HydrophobicContact CB-CG 4.25Å; M351-A461 CarbonylContact C-O 3.56Å; M351-L462 HydrophobicContact CE-CD1 3.83Å; M351-L462 HydrophobicContact SD-CD1 3.54Å; M351-L462 VanDerWaalsContact SD-CD1 3.54Å; M351-L462 HydrophobicContact SD-CG 4.22Å
352	G	91.3	Very high	90.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-140.8	-179.8	0	0	0	0	0	112.9	V300 T302 P460 A461	V300-G352 CarbonylContact O-C 3.58Å; V300-G352 WeakPolarHBondContact O-CA 3.46Å; T302-G352 WeakPolarHBondContact OG1-CA 3.28Å; T302-G352 PolarHBondContact OG1-N 2.04Å; G352-P460 CarbonylContact O-C 3.51Å; G352-P460 VanDerWaalsContact O-CA 3.26Å; G352-P460 WeakPolarHBondContact O-CA 3.47Å; G352-A461 CarbonylContact C-O 3.57Å; G352-A461 PolarHBondContact N-O 2.7Å; G352-A461 PolarHBondContact O-N 3.13Å
353	G	89.3	Confident	90.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.8	172.4	0	0	0	0	0	110.5	K299 V300 K430	K299-G353 WeakPolarHBondContact CA-O 3.47Å; V300-G353 PolarHBondContact N-O 2.77Å; V300-G353 PolarHBondContact O-N 3.49Å; G353-K430 CarbonylContact C-O 3.57Å; G353-K430 VanDerWaalsContact CA-O 3.22Å; G353-K430 WeakPolarHBondContact CA-O 3.42Å
354	S	87.2	Confident	89.8	Confident	21 Å²	21	15.8 Å²	15.8	15%	0.147	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.1	170.8	67.4	0	0	0	0	109.9	S298 V429 K430	S298-S354 CarbonylContact O-C 3.46Å; S298-S354 VanDerWaalsContact O-CA 3.32Å; S298-S354 WeakPolarHBondContact O-CA 3.21Å; S354-V429 WeakPolarHBondContact O-CA 3.44Å; S354-K430 PolarHBondContact N-O 3.37Å; S354-K430 PolarHBondContact O-N 2.83Å; S354-K430 WeakPolarHBondContact OG-CB 3.26Å
355	L	85.4	Confident	89.3	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.3	172.8	175.6	146.8	0	0	0	108	W297 S298 Y357 I386 V429 I443 Y449 W452	W297-L355 CarbonylContact C-O 3.56Å; W297-L355 WeakPolarHBondContact CA-O 3.4Å; S298-L355 PolarHBondContact N-O 2.95Å; S298-L355 PolarHBondContact O-N 3.36Å; L355-Y357 HydrophobicContact CD1-CD2 4.12Å; L355-Y357 HydrophobicContact CD1-CE2 3.62Å; L355-Y357 HydrophobicContact CD2-CD2 3.47Å; L355-Y357 VanDerWaalsContact CD2-CD2 3.47Å; L355-Y357 HydrophobicContact CD2-CE2 3.88Å; L355-Y357 HydrophobicContact CD2-CG 4.41Å; L355-Y357 HydrophobicContact CG-CD2 3.63Å; L355-Y357 HydrophobicContact CG-CE2 3.58Å; L355-I386 HydrophobicContact CD2-CD1 3.79Å; L355-V429 HydrophobicContact CD1-CG2 4.48Å; L355-V429 HydrophobicContact CG-CG2 4.43Å; L355-I443 HydrophobicContact CD1-CB 4.04Å; L355-I443 HydrophobicContact CD1-CD1 3.54Å; L355-I443 HydrophobicContact CD1-CG1 4.38Å; L355-I443 HydrophobicContact CD1-CG2 3.71Å; L355-Y449 HydrophobicContact CD1-CD2 4.26Å; L355-W452 HydrophobicContact CB-CH2 4.02Å; L355-W452 HydrophobicContact CB-CZ2 4.4Å; L355-W452 HydrophobicContact CB-CZ3 4.35Å
356	E	85.7	Confident	88.6	Confident	16 Å²	16	16.7 Å²	16.7	8%	0.075	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	120.7	174.2	-177.8	168	-161.4	0	0	109.7	R250 F279 R295 V296 W297 K427 L428	R250-E356 VanDerWaalsContact CD-OE1 3.32Å; R250-E356 WeakPolarHBondContact CD-OE1 3.4Å; R250-E356 IonicContact CZ-OE1 3.52Å; R250-E356 IonicContact CZ-OE2 3.1Å; R250-E356 VanDerWaalsContact NE-CD 3.25Å; R250-E356 IonicContact NE-OE1 2.72Å; R250-E356 PolarHBondContact NE-OE1 2.76Å; R250-E356 IonicContact NE-OE2 3.27Å; R250-E356 PolarHBondContact NE-OE2 3.4Å; R250-E356 VanDerWaalsContact NE-OE2 3.16Å; R250-E356 IonicContact NH2-OE1 2.76Å; R250-E356 IonicContact NH2-OE2 2.59Å; R250-E356 PolarHBondContact NH2-OE2 2.62Å; F279-E356 HydrophobicContact CZ-CG 4.03Å; R295-E356 HydrophobicContact CG-CG 4.49Å; R295-E356 IonicContact CZ-OE1 2.72Å; R295-E356 VanDerWaalsContact CZ-OE1 3.23Å; R295-E356 IonicContact NE-OE1 2.79Å; R295-E356 PolarHBondContact NE-OE1 2.78Å; R295-E356 IonicContact NH2-OE1 2.92Å; R295-E356 PolarHBondContact NH2-OE1 2.74Å; R295-E356 IonicContact NH2-OE2 2.94Å; V296-E356 CarbonylContact O-C 3.59Å; V296-E356 WeakPolarHBondContact O-CA 3.4Å; W297-E356 HydrophobicContact CB-CB 4.4Å; W297-E356 HydrophobicContact CB-CG 4.36Å; E356-K427 CarbonylContact O-C 3.59Å; E356-K427 WeakPolarHBondContact O-CA 3.39Å; E356-L428 HydrophobicContact CB-CB 4.3Å; E356-L428 PolarHBondContact N-O 3.36Å; E356-L428 PolarHBondContact O-N 2.81Å
357	Y	85.2	Confident	88	Confident	3 Å²	3	20.3 Å²	20.3	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	178.7	-83.3	-122.3	0	0	0	108.1	R295 V296 L355 F380 A414 I425 K427 V429 I443	R295-Y357 CarbonylContact C-O 3.57Å; R295-Y357 WeakPolarHBondContact CA-O 3.47Å; V296-Y357 PolarHBondContact N-O 3.45Å; V296-Y357 PolarHBondContact O-N 3.18Å; L355-Y357 HydrophobicContact CD1-CD2 4.12Å; L355-Y357 HydrophobicContact CD1-CE2 3.62Å; L355-Y357 HydrophobicContact CD2-CD2 3.47Å; L355-Y357 VanDerWaalsContact CD2-CD2 3.47Å; L355-Y357 HydrophobicContact CD2-CE2 3.88Å; L355-Y357 HydrophobicContact CD2-CG 4.41Å; L355-Y357 HydrophobicContact CG-CD2 3.63Å; L355-Y357 HydrophobicContact CG-CE2 3.58Å; Y357-F380 HydrophobicContact CD1-CZ 4.32Å; Y357-A414 HydrophobicContact CD1-CB 4.11Å; Y357-A414 HydrophobicContact CE1-CB 3.77Å; Y357-I425 HydrophobicContact CD1-CG2 3.78Å; Y357-I425 HydrophobicContact CE1-CG2 4.41Å; Y357-K427 HydrophobicContact CD1-CB 4.41Å; Y357-K427 HydrophobicContact CD2-CB 4.28Å; Y357-K427 HydrophobicContact CE1-CB 4.21Å; Y357-K427 HydrophobicContact CE2-CB 4.04Å; Y357-K427 HydrophobicContact CG-CB 4.46Å; Y357-V429 HydrophobicContact CE2-CG2 3.88Å; Y357-I443 PolarHBondContact OH-O 2.87Å
358	V	87.2	Confident	87.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	106	175.7	174.5	0	0	0	0	107.7	L246 F279 I283 F293 I294 R295 I426	L246-V358 HydrophobicContact CD1-CG2 4.34Å; L246-V358 HydrophobicContact CD2-CG1 3.72Å; L246-V358 HydrophobicContact CD2-CG2 4.24Å; F279-V358 HydrophobicContact CE2-CG2 4.41Å; F279-V358 HydrophobicContact CZ-CB 4.44Å; F279-V358 HydrophobicContact CZ-CG2 3.72Å; I283-V358 HydrophobicContact CD1-CB 4.38Å; I283-V358 HydrophobicContact CD1-CG1 4.4Å; I283-V358 HydrophobicContact CD1-CG2 4.11Å; F293-V358 HydrophobicContact CB-CG1 4.32Å; F293-V358 HydrophobicContact CD1-CG1 3.79Å; I294-V358 CarbonylContact O-C 3.5Å; I294-V358 WeakPolarHBondContact O-CA 3.29Å; R295-V358 HydrophobicContact CG-CG2 4.29Å; V358-I426 HydrophobicContact CB-CB 4.5Å; V358-I426 PolarHBondContact N-O 3.33Å; V358-I426 PolarHBondContact O-N 2.72Å
359	A	85.9	Confident	86.6	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.4	170.9	0	0	0	0	0	109.2	F293 I294 L361 F376 F380	F293-A359 WeakPolarHBondContact CA-O 3.5Å; I294-A359 HydrophobicContact CB-CB 4.43Å; I294-A359 PolarHBondContact N-O 3.13Å; I294-A359 PolarHBondContact O-N 2.74Å; A359-L361 HydrophobicContact CB-CD2 4.46Å; A359-F376 HydrophobicContact CB-CE1 4.41Å; A359-F380 HydrophobicContact CB-CE1 4.24Å; A359-F380 HydrophobicContact CB-CZ 4.21Å
360	V	88.3	Confident	85.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	175.5	-172.9	0	0	0	0	108.5	Y286 F291 F293 E423 D424 I426	Y286-V360 HydrophobicContact CD1-CG1 3.67Å; Y286-V360 HydrophobicContact CD2-CG1 4.3Å; Y286-V360 HydrophobicContact CD2-CG2 3.94Å; Y286-V360 HydrophobicContact CE1-CG1 4.22Å; Y286-V360 HydrophobicContact CE2-CG2 4.23Å; Y286-V360 HydrophobicContact CG-CG1 3.71Å; Y286-V360 HydrophobicContact CG-CG2 4.2Å; F291-V360 HydrophobicContact CB-CG1 4.11Å; F291-V360 HydrophobicContact CD1-CG1 4.1Å; F291-V360 HydrophobicContact CG-CG1 4.11Å; F293-V360 HydrophobicContact CD1-CG1 4.48Å; F293-V360 HydrophobicContact CD1-CG2 4.02Å; F293-V360 HydrophobicContact CE1-CB 4.43Å; F293-V360 HydrophobicContact CE1-CG1 4.01Å; F293-V360 HydrophobicContact CE1-CG2 3.87Å; V360-E423 HydrophobicContact CB-CB 4.47Å; V360-E423 HydrophobicContact CG1-CB 4.31Å; V360-E423 PolarHBondContact O-N 2.78Å; V360-D424 HydrophobicContact CB-CB 4.38Å; V360-D424 HydrophobicContact CG2-CB 4.29Å; V360-D424 PolarHBondContact N-O 2.92Å; V360-I426 HydrophobicContact CG2-CD1 3.98Å; V360-I426 HydrophobicContact CG2-CG1 4.44Å
361	L	87.1	Confident	84.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.6	-174	-56.7	-176.7	0	0	0	111.3	F291 S292 I294 A359 K363 M366 F376 V421 V422	F291-L361 CarbonylContact C-O 3.53Å; F291-L361 VanDerWaalsContact CA-O 3.24Å; F291-L361 WeakPolarHBondContact CA-O 3.33Å; S292-L361 PolarHBondContact N-O 2.03Å; S292-L361 PolarHBondContact O-N 3.31Å; I294-L361 HydrophobicContact CD1-CD1 3.49Å; I294-L361 VanDerWaalsContact CD1-CD1 3.49Å; I294-L361 HydrophobicContact CG1-CD1 4.05Å; A359-L361 HydrophobicContact CB-CD2 4.46Å; L361-K363 PolarHBondContact O-N 2.96Å; L361-M366 HydrophobicContact CB-SD 3.77Å; L361-M366 HydrophobicContact CD1-CE 4.17Å; L361-M366 HydrophobicContact CD1-SD 3.77Å; L361-M366 HydrophobicContact CG-SD 4.41Å; L361-F376 HydrophobicContact CD1-CD1 4.23Å; L361-F376 HydrophobicContact CD1-CG 4.49Å; L361-F376 HydrophobicContact CD2-CD1 4.45Å; L361-F376 HydrophobicContact CD2-CE1 3.98Å; L361-F376 HydrophobicContact CD2-CE2 4.34Å; L361-F376 HydrophobicContact CD2-CZ 3.94Å; L361-V421 HydrophobicContact CD2-CG1 4.47Å; L361-V422 HydrophobicContact CD2-CB 4.46Å; L361-V422 HydrophobicContact CD2-CG2 3.85Å
362	N	87.6	Confident	83.9	Confident	25 Å²	25	39.3 Å²	39.3	13%	0.134	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.7	172.6	-173.2	-39	0	0	0	110.5	F291 T364 A365 M366 V421 E423	F291-N362 HydrophobicContact CE1-CB 4.47Å; N362-T364 PolarHBondContact O-N 3.03Å; N362-T364 PolarHBondContact OD1-N 3.04Å; N362-T364 PolarHBondContact OD1-OG1 3.25Å; N362-A365 HydrophobicContact CB-CB 3.93Å; N362-A365 PolarHBondContact O-N 2.94Å; N362-A365 VanDerWaalsContact O-N 3.12Å; N362-A365 PolarHBondContact OD1-N 3.2Å; N362-M366 WeakPolarHBondContact O-CG 3Å; N362-M366 PolarHBondContact O-N 3.24Å; N362-V421 PolarHBondContact N-O 3.49Å; N362-E423 HydrophobicContact CB-CG 3.79Å; N362-E423 WeakPolarHBondContact CB-OE1 3.32Å; N362-E423 PolarHBondContact ND2-OE1 2.85Å
363	K	87.3	Confident	83.1	Confident	65 Å²	65	40 Å²	40	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-57.5	-36	-178	-68	173.1	-178.7	159	0	112.8	E241 Q289 D290 F291 L361 A367	E241-K363 WeakPolarHBondContact O-CE 3.49Å; E241-K363 PolarHBondContact O-NZ 2.86Å; Q289-K363 PolarHBondContact O-NZ 2.88Å; D290-K363 VanDerWaalsContact O-CB 3.29Å; D290-K363 WeakPolarHBondContact O-CB 3.38Å; D290-K363 WeakPolarHBondContact O-CG 3.32Å; D290-K363 PolarHBondContact O-N 3.25Å; F291-K363 WeakPolarHBondContact O-CE 3.46Å; F291-K363 PolarHBondContact O-NZ 3.09Å; L361-K363 PolarHBondContact O-N 2.96Å; K363-A367 WeakPolarHBondContact O-CB 3.49Å; K363-A367 PolarHBondContact O-N 2.83Å; K363-A367 VanDerWaalsContact O-N 3.08Å
364	T	86.5	Confident	82.3	Confident	69 Å²	69	47.4 Å²	47.4	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-72.5	-37.4	-179.3	71.3	0	0	0	0	111.7	N362 K368	N362-T364 PolarHBondContact O-N 3.03Å; N362-T364 PolarHBondContact OD1-N 3.04Å; N362-T364 PolarHBondContact OD1-OG1 3.25Å; T364-K368 VanDerWaalsContact O-CG 3.31Å; T364-K368 WeakPolarHBondContact O-CG 3.17Å; T364-K368 PolarHBondContact O-N 2.89Å; T364-K368 VanDerWaalsContact O-N 3.14Å
365	A	84.3	Confident	81.6	Confident	16 Å²	16	51.8 Å²	51.8	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-70.2	-40.7	174.7	0	0	0	0	0	111.2	N362 A367 K368 S369 A420 V421	N362-A365 HydrophobicContact CB-CB 3.93Å; N362-A365 PolarHBondContact O-N 2.94Å; N362-A365 VanDerWaalsContact O-N 3.12Å; N362-A365 PolarHBondContact OD1-N 3.2Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A365-A367 PolarHBondContact O-N 3.29Å; A365-K368 PolarHBondContact O-N 3.16Å; A365-S369 WeakPolarHBondContact O-CB 3.24Å; A365-S369 PolarHBondContact O-N 2.94Å; A365-S369 PolarHBondContact O-OG 3.47Å; A365-A420 WeakPolarHBondContact CB-O 3.43Å; A365-V421 HydrophobicContact CB-CG2 4.21Å
366	M	81.1	Confident	81	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.069	27%	0.271	C	S	.	.	H	α-helix	trans	-54.5	-47.9	173.1	-72.3	-175.2	72.8	0	0	112.1	L361 N362 S369 N370 I371 A373 V421	L361-M366 HydrophobicContact CB-SD 3.77Å; L361-M366 HydrophobicContact CD1-CE 4.17Å; L361-M366 HydrophobicContact CD1-SD 3.77Å; L361-M366 HydrophobicContact CG-SD 4.41Å; N362-M366 WeakPolarHBondContact O-CG 3Å; N362-M366 PolarHBondContact O-N 3.24Å; M366-S369 PolarHBondContact O-N 3.11Å; M366-N370 PolarHBondContact O-N 2.88Å; M366-I371 WeakPolarHBondContact CE-O 3.14Å; M366-I371 PolarHBondContact O-N 3.13Å; M366-I371 VanDerWaalsContact O-N 3.1Å; M366-A373 HydrophobicContact CE-CB 3.72Å; M366-V421 HydrophobicContact CB-CG1 4.32Å; M366-V421 HydrophobicContact CG-CG1 3.28Å; M366-V421 HydrophobicContact SD-CG1 4.46Å
367	A	83.1	Confident	80.4	Confident	77 Å²	77	52.6 Å²	52.6	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-64	-40.4	179.3	0	0	0	0	0	112.3	K363 A365 N370	K363-A367 WeakPolarHBondContact O-CB 3.49Å; K363-A367 PolarHBondContact O-N 2.83Å; K363-A367 VanDerWaalsContact O-N 3.08Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A365-A367 PolarHBondContact O-N 3.29Å; A367-N370 PolarHBondContact O-N 2.75Å
368	K	83.6	Confident	79.7	Confident	179 Å²	179	54.2 Å²	54.2	78%	0.778	29%	0.286	S	S	*	.	H	α-helix	trans	-66.4	-38.1	176.7	-73.9	172.4	-176.9	175	0	112.5	T364 A365 N370	T364-K368 VanDerWaalsContact O-CG 3.31Å; T364-K368 WeakPolarHBondContact O-CG 3.17Å; T364-K368 PolarHBondContact O-N 2.89Å; T364-K368 VanDerWaalsContact O-N 3.14Å; A365-K368 PolarHBondContact O-N 3.16Å; K368-N370 VanDerWaalsContact C-N 3.31Å
369	S	75.2	Confident	79	Confident	61 Å²	61	54.3 Å²	54.3	43%	0.427	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	1.8	-178.5	-59.1	0	0	0	0	113.4	A365 M366 I371	A365-S369 WeakPolarHBondContact O-CB 3.24Å; A365-S369 PolarHBondContact O-N 2.94Å; A365-S369 PolarHBondContact O-OG 3.47Å; M366-S369 PolarHBondContact O-N 3.11Å; S369-I371 PolarHBondContact O-N 3.3Å
370	N	72.4	Confident	78.2	Confident	153 Å²	153	54.4 Å²	54.4	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.4	-178	-163.1	33.5	0	0	0	113.4	M366 A367 K368	M366-N370 PolarHBondContact O-N 2.88Å; A367-N370 PolarHBondContact O-N 2.75Å; K368-N370 VanDerWaalsContact C-N 3.31Å
371	I	72.8	Confident	77.2	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.169	29%	0.287	C	S	.	.			trans	-97	120.5	178.5	-57.9	-171.5	0	0	0	109	M366 S369 F376 V421	M366-I371 WeakPolarHBondContact CE-O 3.14Å; M366-I371 PolarHBondContact O-N 3.13Å; M366-I371 VanDerWaalsContact O-N 3.1Å; S369-I371 PolarHBondContact O-N 3.3Å; I371-F376 HydrophobicContact CG2-CB 4.27Å; I371-F376 HydrophobicContact CG2-CD2 4.32Å; I371-V421 HydrophobicContact CD1-CG2 4Å
372	D	76.3	Confident	76.3	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	30%	0.304	S	S	.	.			trans	-78.3	137.2	173.8	175.4	39.4	0	0	0	111.5	K374 R375 F376	D372-K374 PolarHBondContact O-N 3.38Å; D372-K374 WeakPolarHBondContact OD2-CB 3.39Å; D372-R375 HydrophobicContact CB-CB 4.1Å; D372-R375 PolarHBondContact O-N 3.04Å; D372-R375 PolarHBondContact OD2-N 3.18Å; D372-F376 PolarHBondContact O-N 3.45Å
373	A	73.3	Confident	75.3	Confident	14 Å²	14	57.6 Å²	57.6	12%	0.116	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-39.6	-178.8	0	0	0	0	0	112.4	Y239 M366 F376 Q377	Y239-A373 HydrophobicContact CD2-CB 3.8Å; Y239-A373 HydrophobicContact CE2-CB 3.56Å; Y239-A373 HydrophobicContact CG-CB 4.48Å; M366-A373 HydrophobicContact CE-CB 3.72Å; A373-F376 PolarHBondContact O-N 2.8Å; A373-Q377 VanDerWaalsContact O-CB 3.27Å; A373-Q377 WeakPolarHBondContact O-CB 3Å; A373-Q377 PolarHBondContact O-N 3.3Å
374	K	73.3	Confident	74.2	Confident	157 Å²	157	54.5 Å²	54.5	68%	0.683	30%	0.295	S	S	*	.	H	α-helix	trans	-68.8	-38.9	178.7	-67.4	-177.8	175.6	-178	0	111.6	D372 Q377 S378	D372-K374 PolarHBondContact O-N 3.38Å; D372-K374 WeakPolarHBondContact OD2-CB 3.39Å; K374-Q377 PolarHBondContact O-N 3.08Å; K374-S378 WeakPolarHBondContact O-CB 3.42Å; K374-S378 PolarHBondContact O-N 3.29Å
375	R	73	Confident	73.1	Confident	113 Å²	113	51.9 Å²	51.9	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-44.2	173.3	-171	175.2	179	-166.9	-5	111.3	D372 C379 S404 T407	D372-R375 HydrophobicContact CB-CB 4.1Å; D372-R375 PolarHBondContact O-N 3.04Å; D372-R375 PolarHBondContact OD2-N 3.18Å; R375-C379 WeakPolarHBondContact O-CB 3.41Å; R375-C379 PolarHBondContact O-N 2.65Å; R375-C379 PolarHBondContact O-SG 2.97Å; R375-S404 PolarHBondContact NE-O 2.91Å; R375-S404 PolarHBondContact NH2-O 3.17Å; R375-T407 PolarHBondContact NH2-OG1 3.39Å
376	F	72.4	Confident	72.3	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-47.3	175.5	-171.5	-74.2	0	0	0	111.4	I294 A359 L361 I371 D372 A373 S378 C379 F380 F412 V422	I294-F376 HydrophobicContact CD1-CB 4.32Å; I294-F376 HydrophobicContact CD1-CD1 3.41Å; I294-F376 VanDerWaalsContact CD1-CD1 3.41Å; I294-F376 HydrophobicContact CD1-CE1 4.13Å; I294-F376 HydrophobicContact CD1-CG 4.23Å; A359-F376 HydrophobicContact CB-CE1 4.41Å; L361-F376 HydrophobicContact CD1-CD1 4.23Å; L361-F376 HydrophobicContact CD1-CG 4.49Å; L361-F376 HydrophobicContact CD2-CD1 4.45Å; L361-F376 HydrophobicContact CD2-CE1 3.98Å; L361-F376 HydrophobicContact CD2-CE2 4.34Å; L361-F376 HydrophobicContact CD2-CZ 3.94Å; I371-F376 HydrophobicContact CG2-CB 4.27Å; I371-F376 HydrophobicContact CG2-CD2 4.32Å; D372-F376 PolarHBondContact O-N 3.45Å; A373-F376 PolarHBondContact O-N 2.8Å; F376-S378 PolarHBondContact O-N 2.82Å; F376-C379 PolarHBondContact O-N 3.49Å; F376-F380 HydrophobicContact CD1-CB 4.12Å; F376-F380 HydrophobicContact CE1-CB 3.94Å; F376-F380 HydrophobicContact CE1-CD2 4.28Å; F376-F380 HydrophobicContact CE1-CG 4.13Å; F376-F380 VanDerWaalsContact O-CB 3.27Å; F376-F380 WeakPolarHBondContact O-CB 3.47Å; F376-F380 PolarHBondContact O-N 2.98Å; F376-F412 HydrophobicContact CB-CE1 4.17Å; F376-F412 AromaticContact CD2-CD1 3.59Å; F376-F412 HydrophobicContact CD2-CD1 3.59Å; F376-F412 AromaticContact CD2-CE1 3.36Å; F376-F412 HydrophobicContact CD2-CE1 3.36Å; F376-F412 AromaticContact CE2-CD1 3.69Å; F376-F412 HydrophobicContact CE2-CD1 3.69Å; F376-F412 AromaticContact CE2-CE1 3.89Å; F376-F412 HydrophobicContact CE2-CE1 3.89Å; F376-F412 HydrophobicContact CG-CD1 4.08Å; F376-F412 AromaticContact CG-CE1 3.92Å; F376-F412 HydrophobicContact CG-CE1 3.92Å; F376-F412 HydrophobicContact CZ-CD1 4.3Å; F376-V422 HydrophobicContact CE2-CG2 3.75Å; F376-V422 HydrophobicContact CZ-CG2 3.55Å
377	Q	72.3	Confident	71.1	Confident	32 Å²	32	52 Å²	52	15%	0.15	28%	0.281	C	S	.	.	H	α-helix	trans	-54.7	-52.4	179.1	-175.1	-160.5	-33.3	0	0	111.7	D237 I294 A373 K374 C379 F380 G381	D237-Q377 HydrophobicContact CB-CG 3.97Å; D237-Q377 PolarHBondContact O-NE2 3.04Å; D237-Q377 WeakPolarHBondContact OD2-CG 3.32Å; D237-Q377 PolarHBondContact OD2-NE2 2.99Å; I294-Q377 HydrophobicContact CD1-CB 3.89Å; I294-Q377 HydrophobicContact CG1-CB 4.39Å; I294-Q377 HydrophobicContact CG2-CB 4.32Å; I294-Q377 HydrophobicContact CG2-CG 3.98Å; A373-Q377 VanDerWaalsContact O-CB 3.27Å; A373-Q377 WeakPolarHBondContact O-CB 3Å; A373-Q377 PolarHBondContact O-N 3.3Å; K374-Q377 PolarHBondContact O-N 3.08Å; Q377-C379 PolarHBondContact O-N 3.07Å; Q377-F380 PolarHBondContact O-N 3.09Å; Q377-G381 PolarHBondContact O-N 3.1Å
378	S	70.4	Confident	69.5	Low	36 Å²	36	56.8 Å²	56.8	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-42.5	176.7	175.5	0	0	0	0	112	K374 F376 T382	K374-S378 WeakPolarHBondContact O-CB 3.42Å; K374-S378 PolarHBondContact O-N 3.29Å; F376-S378 PolarHBondContact O-N 2.82Å; S378-T382 VanDerWaalsContact O-CB 3.3Å; S378-T382 WeakPolarHBondContact O-CB 3.17Å; S378-T382 WeakPolarHBondContact O-CG2 3.33Å; S378-T382 PolarHBondContact O-N 2.81Å; S378-T382 PolarHBondContact O-OG1 2.64Å
379	C	71.9	Confident	67.1	Low	3 Å²	3	52.1 Å²	52.1	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-36.1	177.6	-68	0	0	0	0	113	R375 F376 Q377 T382 S383 C405 F412	R375-C379 WeakPolarHBondContact O-CB 3.41Å; R375-C379 PolarHBondContact O-N 2.65Å; R375-C379 PolarHBondContact O-SG 2.97Å; F376-C379 PolarHBondContact O-N 3.49Å; Q377-C379 PolarHBondContact O-N 3.07Å; C379-T382 VanDerWaalsContact CA-OG1 3.28Å; C379-T382 WeakPolarHBondContact CA-OG1 3.37Å; C379-T382 PolarHBondContact O-OG1 2.79Å; C379-S383 WeakPolarHBondContact O-CB 3.38Å; C379-S383 PolarHBondContact O-N 3.34Å; C379-C405 WeakPolarHBondContact CA-SG 3.28Å; C379-C405 HydrophobicContact CB-CB 3.9Å; C379-C405 WeakPolarHBondContact CB-SG 3.38Å; C379-C405 WeakPolarHBondContact SG-CB 3.34Å; C379-C405 CovalentContact SG-SG 2.04Å; C379-C405 PolarHBondContact SG-SG 3.44Å; C379-F412 HydrophobicContact CB-CB 4.38Å; C379-F412 HydrophobicContact CB-CD1 3.72Å; C379-F412 HydrophobicContact CB-CD2 4.16Å; C379-F412 HydrophobicContact CB-CE1 3.99Å; C379-F412 HydrophobicContact CB-CE2 4.42Å; C379-F412 HydrophobicContact CB-CG 3.83Å; C379-F412 HydrophobicContact CB-CZ 4.35Å
380	F	70.3	Confident	65.1	Low	1 Å²	1	56 Å²	56	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-70.1	-47.2	179.2	-175.1	-113.7	0	0	0	111.4	I294 V296 Y357 A359 F376 Q377 S383 A414 I425	I294-F380 HydrophobicContact CG2-CD1 4.08Å; V296-F380 HydrophobicContact CB-CD1 4.31Å; V296-F380 HydrophobicContact CB-CE1 4.07Å; V296-F380 HydrophobicContact CG2-CD1 3.33Å; V296-F380 HydrophobicContact CG2-CE1 3.56Å; V296-F380 HydrophobicContact CG2-CG 4.5Å; Y357-F380 HydrophobicContact CD1-CZ 4.32Å; A359-F380 HydrophobicContact CB-CE1 4.24Å; A359-F380 HydrophobicContact CB-CZ 4.21Å; F376-F380 HydrophobicContact CD1-CB 4.12Å; F376-F380 HydrophobicContact CE1-CB 3.94Å; F376-F380 HydrophobicContact CE1-CD2 4.28Å; F376-F380 HydrophobicContact CE1-CG 4.13Å; F376-F380 VanDerWaalsContact O-CB 3.27Å; F376-F380 WeakPolarHBondContact O-CB 3.47Å; F376-F380 PolarHBondContact O-N 2.98Å; Q377-F380 PolarHBondContact O-N 3.09Å; F380-S383 PolarHBondContact O-N 2.97Å; F380-S383 PolarHBondContact O-OG 3.02Å; F380-A414 HydrophobicContact CE2-CB 4.31Å; F380-I425 HydrophobicContact CE2-CD1 4.33Å; F380-I425 HydrophobicContact CZ-CG2 4.44Å
381	G	66.9	Low	62.9	Low	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-33.6	176.2	0	0	0	0	0	113.7	Q377 L384 G385 I386 S387	Q377-G381 PolarHBondContact O-N 3.1Å; G381-L384 PolarHBondContact O-N 3.36Å; G381-G385 PolarHBondContact O-N 2.78Å; G381-I386 PolarHBondContact O-N 2.75Å; G381-S387 WeakPolarHBondContact CA-OG 3.1Å; G381-S387 PolarHBondContact O-N 2.86Å
382	T	67.8	Low	60.7	Low	58 Å²	58	60.3 Å²	60.3	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-32.7	174	50.4	0	0	0	0	112.1	S378 C379 L384 G385 S387	S378-T382 VanDerWaalsContact O-CB 3.3Å; S378-T382 WeakPolarHBondContact O-CB 3.17Å; S378-T382 WeakPolarHBondContact O-CG2 3.33Å; S378-T382 PolarHBondContact O-N 2.81Å; S378-T382 PolarHBondContact O-OG1 2.64Å; C379-T382 VanDerWaalsContact CA-OG1 3.28Å; C379-T382 WeakPolarHBondContact CA-OG1 3.37Å; C379-T382 PolarHBondContact O-OG1 2.79Å; T382-L384 PolarHBondContact O-N 2.8Å; T382-G385 PolarHBondContact O-N 2.97Å; T382-S387 WeakPolarHBondContact CG2-O 3.44Å; T382-S387 PolarHBondContact N-OG 2.99Å
383	S	66.6	Low	58.3	Low	34 Å²	34	64 Å²	64	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-57	-42.1	175.5	78.3	0	0	0	0	111.3	C379 F380 G385 F412 D445 Q446	C379-S383 WeakPolarHBondContact O-CB 3.38Å; C379-S383 PolarHBondContact O-N 3.34Å; F380-S383 PolarHBondContact O-N 2.97Å; F380-S383 PolarHBondContact O-OG 3.02Å; S383-G385 VanDerWaalsContact C-N 3.31Å; S383-G385 PolarHBondContact O-N 2.96Å; S383-F412 PolarHBondContact OG-O 3.18Å; S383-D445 CarbonylContact O-C 3.5Å; S383-D445 WeakPolarHBondContact O-CA 3.22Å; S383-Q446 PolarHBondContact O-N 3.42Å
384	L	65.3	Low	56.2	Low	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.1	177.4	-62.3	174.9	0	0	0	113.6	V296 G381 T382 I386 A414 I443	V296-L384 HydrophobicContact CG1-CD1 4.08Å; G381-L384 PolarHBondContact O-N 3.36Å; T382-L384 PolarHBondContact O-N 2.8Å; L384-I386 VanDerWaalsContact C-N 3.33Å; L384-I386 HydrophobicContact CB-CD1 3.82Å; L384-I386 HydrophobicContact CB-CG1 4.06Å; L384-I386 HydrophobicContact CD1-CD1 4.22Å; L384-A414 HydrophobicContact CD2-CB 4.14Å; L384-I443 HydrophobicContact CD2-CG2 4.34Å
385	G	63.7	Low	54	Low	15 Å²	15	63 Å²	63	16%	0.155	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	19.9	-176.3	0	0	0	0	0	114.7	G381 T382 S383	G381-G385 PolarHBondContact O-N 2.78Å; T382-G385 PolarHBondContact O-N 2.97Å; S383-G385 VanDerWaalsContact C-N 3.31Å; S383-G385 PolarHBondContact O-N 2.96Å
386	I	66.4	Low	51.6	Low	23 Å²	23	64.4 Å²	64.4	12%	0.118	36%	0.357	C	S	.	.			trans	-97.5	-44.1	-174.7	-63.5	168.7	0	0	0	111.3	V296 L355 G381 L384 Y388 Y449	V296-I386 HydrophobicContact CG1-CB 4.22Å; V296-I386 HydrophobicContact CG1-CD1 3.77Å; V296-I386 HydrophobicContact CG1-CG2 4.15Å; L355-I386 HydrophobicContact CD2-CD1 3.79Å; G381-I386 PolarHBondContact O-N 2.75Å; L384-I386 VanDerWaalsContact C-N 3.33Å; L384-I386 HydrophobicContact CB-CD1 3.82Å; L384-I386 HydrophobicContact CB-CG1 4.06Å; L384-I386 HydrophobicContact CD1-CD1 4.22Å; I386-Y388 PolarHBondContact O-N 3.32Å; I386-Y449 HydrophobicContact CD1-CD2 4.35Å; I386-Y449 HydrophobicContact CD1-CE2 4.15Å; I386-Y449 HydrophobicContact CG1-CD2 4.48Å; I386-Y449 HydrophobicContact CG1-CE2 4.23Å
387	S	56.8	Low	49.5	Very low	8 Å²	8	68.5 Å²	68.5	6%	0.056	40%	0.399	C	S	.	.			trans	-95	92.3	179.8	69.9	0	0	0	0	110.8	D237 G381 T382 S389	D237-S387 WeakPolarHBondContact OD1-CB 3.11Å; G381-S387 WeakPolarHBondContact CA-OG 3.1Å; G381-S387 PolarHBondContact O-N 2.86Å; T382-S387 WeakPolarHBondContact CG2-O 3.44Å; T382-S387 PolarHBondContact N-OG 2.99Å; S387-S389 PolarHBondContact O-N 2.88Å
388	Y	49.8	Very low	47.1	Very low	179 Å²	179	73.2 Å²	73.2	70%	0.702	43%	0.425	S	S	*	.			trans	-83	97.2	161.9	-88.1	-88.5	0	0	0	108.7	I386 F390	I386-Y388 PolarHBondContact O-N 3.32Å; Y388-F390 VanDerWaalsContact C-N 3.31Å; Y388-F390 PolarHBondContact O-N 2.83Å
389	S	32.1	Very low	45.2	Very low	81 Å²	81	81.9 Å²	81.9	57%	0.566	46%	0.458	S	S	*	.			trans	-80.1	83.8	159.7	61.3	0	0	0	0	108.7	S387	S387-S389 PolarHBondContact O-N 2.88Å
390	F	32.9	Very low	43	Very low	141 Å²	141	86.3 Å²	86.3	62%	0.618	48%	0.484	S	S	*	.			trans	-153.5	126.3	150.8	-137.8	-94.6	0	0	0	110	Y388 A394	Y388-F390 VanDerWaalsContact C-N 3.31Å; Y388-F390 PolarHBondContact O-N 2.83Å; F390-A394 HydrophobicContact CD1-CB 3.54Å; F390-A394 HydrophobicContact CE1-CB 3.64Å
391	S	27.9	Very low	41	Very low	76 Å²	76	94.7 Å²	94.7	53%	0.531	52%	0.521	S	S	.	.			trans	-50.2	147.9	177.6	48.7	0	0	0	0	112.1	E393 A394	S391-E393 PolarHBondContact O-N 2.91Å; S391-A394 PolarHBondContact O-N 3.01Å
392	E	26.2	Very low	39.4	Very low	202 Å²	202	100 Å²	100	94%	0.944	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	17	179.6	-136	175.4	177.5	0	0	115
393	E	24.5	Very low	38.1	Very low	169 Å²	169	100.6 Å²	100.6	79%	0.79	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	4	-178.1	-75.7	156.7	157.9	0	0	113.4	S391	S391-E393 PolarHBondContact O-N 2.91Å
394	A	30.2	Very low	37.4	Very low	48 Å²	48	102.2 Å²	102.2	40%	0.397	57%	0.571	S	S	.	*			trans	-109.2	25.1	178.6	0	0	0	0	0	114.8	F390 S391 L396	F390-A394 HydrophobicContact CD1-CB 3.54Å; F390-A394 HydrophobicContact CE1-CB 3.64Å; S391-A394 PolarHBondContact O-N 3.01Å; A394-L396 PolarHBondContact O-N 3.23Å; A394-L396 VanDerWaalsContact O-N 3.13Å
395	A	26.7	Very low	37	Very low	103 Å²	103	104 Å²	104	85%	0.851	58%	0.583	S	S	*	*			trans	-66.6	-1.4	163.4	0	0	0	0	0	112.8
396	L	22.9	Very low	36.3	Very low	142 Å²	142	107.8 Å²	107.8	74%	0.743	60%	0.597	S	S	*	*	S	Bend	trans	-96.9	94.3	169.8	-71.3	166.7	0	0	0	109.7	A394 I398	A394-L396 PolarHBondContact O-N 3.23Å; A394-L396 VanDerWaalsContact O-N 3.13Å; L396-I398 WeakPolarHBondContact O-CG1 3.17Å; L396-I398 PolarHBondContact O-N 3.01Å
397	G	27.5	Very low	35.4	Very low	87 Å²	87	111.5 Å²	111.5	90%	0.897	62%	0.621	S	S	*	*			trans	45.7	17.8	138	0	0	0	0	0	121.7
398	I	22.4	Very low	35.1	Very low	132 Å²	132	114.8 Å²	114.8	68%	0.677	64%	0.638	S	S	*	*			trans	-105.5	106.1	179.8	-55.3	168.3	0	0	0	108.9	L396 V400	L396-I398 WeakPolarHBondContact O-CG1 3.17Å; L396-I398 PolarHBondContact O-N 3.01Å; I398-V400 HydrophobicContact CB-CG2 4.03Å; I398-V400 HydrophobicContact CG2-CG2 3.29Å; I398-V400 PolarHBondContact O-N 3Å
399	K	29.7	Very low	35.2	Very low	218 Å²	218	112.9 Å²	112.9	95%	0.948	63%	0.633	S	S	*	*			trans	-62.2	80.7	159.5	-82.2	179.6	172	176.8	0	108.8
400	V	25.7	Very low	36.2	Very low	95 Å²	95	115 Å²	115	58%	0.576	63%	0.634	S	S	*	*			trans	-82.3	128.9	169.6	-173.7	0	0	0	0	108.1	I398 T402	I398-V400 HydrophobicContact CB-CG2 4.03Å; I398-V400 HydrophobicContact CG2-CG2 3.29Å; I398-V400 PolarHBondContact O-N 3Å; V400-T402 PolarHBondContact O-N 3.26Å
401	K	28.3	Very low	37.1	Very low	177 Å²	177	110.2 Å²	110.2	77%	0.77	62%	0.615	S	S	*	*			trans	-44.7	127	-169.8	-70.4	169.4	172.6	175	0	114.1	S403	K401-S403 PolarHBondContact O-N 2.7Å
402	T	35.1	Very low	38.3	Very low	112 Å²	112	107.6 Å²	107.6	69%	0.687	59%	0.594	S	S	*	*			trans	-62.9	22.6	166.4	44.8	0	0	0	0	114.4	V400 E406	V400-T402 PolarHBondContact O-N 3.26Å; T402-E406 VanDerWaalsContact CB-OE1 3.25Å; T402-E406 WeakPolarHBondContact CB-OE1 3.16Å; T402-E406 WeakPolarHBondContact O-CG 3.3Å; T402-E406 VanDerWaalsContact O-OE1 3.09Å; T402-E406 PolarHBondContact OG1-OE1 2.71Å
403	S	39.7	Very low	39.7	Very low	71 Å²	71	101.5 Å²	101.5	50%	0.497	56%	0.564	S	S	.	*			trans	-96.1	7	-158.4	64.5	0	0	0	0	117.2	K401	K401-S403 PolarHBondContact O-N 2.7Å
404	S	51.5	Low	40.9	Very low	68 Å²	68	93.8 Å²	93.8	48%	0.476	53%	0.53	S	S	.	.	S	Bend	trans	-91.5	-33.6	-176.1	-170.2	0	0	0	0	114.7	R375	R375-S404 PolarHBondContact NE-O 2.91Å; R375-S404 PolarHBondContact NH2-O 3.17Å
405	C	56.4	Low	41.8	Very low	36 Å²	36	94.8 Å²	94.8	24%	0.243	53%	0.528	C	S	.	.	S	Bend	trans	-104	-1.8	179.7	-55.3	0	0	0	0	113.1	C379 T407	C379-C405 WeakPolarHBondContact CA-SG 3.28Å; C379-C405 HydrophobicContact CB-CB 3.9Å; C379-C405 WeakPolarHBondContact CB-SG 3.38Å; C379-C405 WeakPolarHBondContact SG-CB 3.34Å; C379-C405 CovalentContact SG-SG 2.04Å; C379-C405 PolarHBondContact SG-SG 3.44Å; C405-T407 VanDerWaalsContact C-N 3.28Å; C405-T407 PolarHBondContact O-N 2.89Å
406	E	49.4	Very low	43	Very low	95 Å²	95	90.3 Å²	90.3	44%	0.444	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-69.6	-21.7	-176.7	-84.7	174.3	179.4	0	0	113.9	T402	T402-E406 VanDerWaalsContact CB-OE1 3.25Å; T402-E406 WeakPolarHBondContact CB-OE1 3.16Å; T402-E406 WeakPolarHBondContact O-CG 3.3Å; T402-E406 VanDerWaalsContact O-OE1 3.09Å; T402-E406 PolarHBondContact OG1-OE1 2.71Å
407	T	46.8	Very low	44.4	Very low	102 Å²	102	87.5 Å²	87.5	63%	0.626	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-74.9	-28	-172.1	17.8	0	0	0	0	113.8	R375 C405	R375-T407 PolarHBondContact NH2-OG1 3.39Å; C405-T407 VanDerWaalsContact C-N 3.28Å; C405-T407 PolarHBondContact O-N 2.89Å
408	N	51.2	Low	45.5	Very low	77 Å²	77	92.1 Å²	92.1	41%	0.412	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-141.2	55.7	-178.2	-73.9	10.3	0	0	0	112.7	E410 D411 F412	N408-E410 PolarHBondContact O-N 3Å; N408-E410 VanDerWaalsContact O-N 3.07Å; N408-D411 HydrophobicContact CB-CB 4.18Å; N408-D411 WeakPolarHBondContact CB-OD2 3.49Å; N408-D411 PolarHBondContact ND2-OD2 3.33Å; N408-D411 PolarHBondContact O-N 3.45Å; N408-D411 VanDerWaalsContact O-N 3.08Å; N408-F412 HydrophobicContact CB-CE2 3.87Å; N408-F412 WeakPolarHBondContact O-CD2 3.5Å; N408-F412 WeakPolarHBondContact O-CE2 3.39Å
409	K	53.1	Low	47.4	Very low	139 Å²	139	86.4 Å²	86.4	60%	0.604	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.2	-176	-72.4	-175.7	179.4	178.2	0	114.8	K413	K409-K413 WeakPolarHBondContact O-CG 3.46Å
410	E	53	Low	49	Very low	124 Å²	124	79.9 Å²	79.9	58%	0.579	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-35.1	177.9	-66.6	-69.1	151.5	0	0	112.7	N408 F412 K413 S416	N408-E410 PolarHBondContact O-N 3Å; N408-E410 VanDerWaalsContact O-N 3.07Å; E410-F412 PolarHBondContact O-N 2.9Å; E410-K413 IonicContact OE1-NZ 3.23Å; E410-K413 PolarHBondContact OE1-NZ 3.46Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.77Å; E410-S416 VanDerWaalsContact O-CB 3.28Å; E410-S416 WeakPolarHBondContact O-CB 3.23Å; E410-S416 PolarHBondContact O-OG 3.3Å
411	D	50.4	Low	51.4	Low	42 Å²	42	75.5 Å²	75.5	23%	0.225	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.8	-178.2	-75.8	-39.6	0	0	0	113.5	N408 S419	N408-D411 HydrophobicContact CB-CB 4.18Å; N408-D411 WeakPolarHBondContact CB-OD2 3.49Å; N408-D411 PolarHBondContact ND2-OD2 3.33Å; N408-D411 PolarHBondContact O-N 3.45Å; N408-D411 VanDerWaalsContact O-N 3.08Å; D411-S419 WeakPolarHBondContact OD1-CB 3.02Å; D411-S419 PolarHBondContact OD1-OG 3.39Å
412	F	53	Low	53.9	Low	20 Å²	20	67.2 Å²	67.2	9%	0.088	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	5.7	-173.7	-54.9	-69.7	0	0	0	113.3	F376 C379 S383 N408 E410	F376-F412 HydrophobicContact CB-CE1 4.17Å; F376-F412 AromaticContact CD2-CD1 3.59Å; F376-F412 HydrophobicContact CD2-CD1 3.59Å; F376-F412 AromaticContact CD2-CE1 3.36Å; F376-F412 HydrophobicContact CD2-CE1 3.36Å; F376-F412 AromaticContact CE2-CD1 3.69Å; F376-F412 HydrophobicContact CE2-CD1 3.69Å; F376-F412 AromaticContact CE2-CE1 3.89Å; F376-F412 HydrophobicContact CE2-CE1 3.89Å; F376-F412 HydrophobicContact CG-CD1 4.08Å; F376-F412 AromaticContact CG-CE1 3.92Å; F376-F412 HydrophobicContact CG-CE1 3.92Å; F376-F412 HydrophobicContact CZ-CD1 4.3Å; C379-F412 HydrophobicContact CB-CB 4.38Å; C379-F412 HydrophobicContact CB-CD1 3.72Å; C379-F412 HydrophobicContact CB-CD2 4.16Å; C379-F412 HydrophobicContact CB-CE1 3.99Å; C379-F412 HydrophobicContact CB-CE2 4.42Å; C379-F412 HydrophobicContact CB-CG 3.83Å; C379-F412 HydrophobicContact CB-CZ 4.35Å; S383-F412 PolarHBondContact OG-O 3.18Å; N408-F412 HydrophobicContact CB-CE2 3.87Å; N408-F412 WeakPolarHBondContact O-CD2 3.5Å; N408-F412 WeakPolarHBondContact O-CE2 3.39Å; E410-F412 PolarHBondContact O-N 2.9Å
413	K	56.1	Low	56.2	Low	75 Å²	75	65.8 Å²	65.8	33%	0.326	36%	0.363	S	S	.	.	S	Bend	trans	-74.1	140.7	177.1	-69	-178.2	-172.8	161.7	0	110.1	K409 E410 N415 S416	K409-K413 WeakPolarHBondContact O-CG 3.46Å; E410-K413 IonicContact OE1-NZ 3.23Å; E410-K413 PolarHBondContact OE1-NZ 3.46Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.77Å; K413-N415 WeakPolarHBondContact CB-OD1 3.1Å; K413-N415 PolarHBondContact O-N 3.48Å; K413-S416 PolarHBondContact O-N 3.39Å; K413-S416 VanDerWaalsContact O-N 3.13Å; K413-S416 PolarHBondContact O-OG 3.29Å; K413-S416 VanDerWaalsContact O-OG 3.11Å
414	A	49.4	Very low	58.4	Low	7 Å²	7	64.9 Å²	64.9	6%	0.058	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	6	178.7	0	0	0	0	0	115.2	Y357 F380 L384	Y357-A414 HydrophobicContact CD1-CB 4.11Å; Y357-A414 HydrophobicContact CE1-CB 3.77Å; F380-A414 HydrophobicContact CE2-CB 4.31Å; L384-A414 HydrophobicContact CD2-CB 4.14Å
415	N	49.5	Very low	59.8	Low	68 Å²	68	62.9 Å²	62.9	36%	0.364	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	0.3	176.5	78.3	-36.6	0	0	0	114.6	K413 S417 R444	K413-N415 WeakPolarHBondContact CB-OD1 3.1Å; K413-N415 PolarHBondContact O-N 3.48Å; N415-S417 PolarHBondContact O-N 2.91Å; N415-R444 VanDerWaalsContact ND2-CZ 3.34Å; N415-R444 PolarHBondContact ND2-NH1 3.4Å
416	S	52	Low	61.1	Low	9 Å²	9	61.5 Å²	61.5	6%	0.063	33%	0.326	C	S	.	.			trans	-90.4	80.2	-175.7	53.5	0	0	0	0	111.8	E410 K413 E418 S419	E410-S416 VanDerWaalsContact O-CB 3.28Å; E410-S416 WeakPolarHBondContact O-CB 3.23Å; E410-S416 PolarHBondContact O-OG 3.3Å; K413-S416 PolarHBondContact O-N 3.39Å; K413-S416 VanDerWaalsContact O-N 3.13Å; K413-S416 PolarHBondContact O-OG 3.29Å; K413-S416 VanDerWaalsContact O-OG 3.11Å; S416-E418 PolarHBondContact O-N 2.91Å; S416-S419 PolarHBondContact O-N 3.18Å
417	S	51.6	Low	62.8	Low	83 Å²	83	61.5 Å²	61.5	58%	0.58	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.7	155.5	48.1	0	0	0	0	112.7	N415 S419	N415-S417 PolarHBondContact O-N 2.91Å; S417-S419 VanDerWaalsContact C-N 3.33Å
418	E	51.5	Low	64.6	Low	185 Å²	185	57 Å²	57	86%	0.864	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.4	175.6	-63.7	-175.3	167.9	0	0	113.5	S416	S416-E418 PolarHBondContact O-N 2.91Å
419	S	61.8	Low	66.2	Low	11 Å²	11	55.1 Å²	55.1	8%	0.077	29%	0.288	C	S	.	.	S	Bend	trans	-74.4	134.3	173.9	-171.1	0	0	0	0	110.3	D411 S416 S417 V421 V422	D411-S419 WeakPolarHBondContact OD1-CB 3.02Å; D411-S419 PolarHBondContact OD1-OG 3.39Å; S416-S419 PolarHBondContact O-N 3.18Å; S417-S419 VanDerWaalsContact C-N 3.33Å; S419-V421 PolarHBondContact O-N 3.44Å; S419-V422 PolarHBondContact O-N 3.24Å
420	A	64.1	Low	67.9	Low	82 Å²	82	51.5 Å²	51.5	68%	0.678	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.6	177.7	0	0	0	0	0	113.9	A365	A365-A420 WeakPolarHBondContact CB-O 3.43Å
421	V	76.1	Confident	69.4	Low	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-29.7	-175.3	171.5	0	0	0	0	113	L361 N362 A365 M366 I371 S419	L361-V421 HydrophobicContact CD2-CG1 4.47Å; N362-V421 PolarHBondContact N-O 3.49Å; A365-V421 HydrophobicContact CB-CG2 4.21Å; M366-V421 HydrophobicContact CB-CG1 4.32Å; M366-V421 HydrophobicContact CG-CG1 3.28Å; M366-V421 HydrophobicContact SD-CG1 4.46Å; I371-V421 HydrophobicContact CD1-CG2 4Å; S419-V421 PolarHBondContact O-N 3.44Å
422	V	80.3	Confident	71.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.1	-177.9	-176.8	0	0	0	0	108.4	L361 F376 S419 I425	L361-V422 HydrophobicContact CD2-CB 4.46Å; L361-V422 HydrophobicContact CD2-CG2 3.85Å; F376-V422 HydrophobicContact CE2-CG2 3.75Å; F376-V422 HydrophobicContact CZ-CG2 3.55Å; S419-V422 PolarHBondContact O-N 3.24Å; V422-I425 HydrophobicContact CG1-CD1 4.17Å; V422-I425 HydrophobicContact CG1-CG1 3.73Å
423	E	84.1	Confident	72.2	Confident	82 Å²	82	47.2 Å²	47.2	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-37.9	-179.3	-67.4	-79.9	179.4	0	0	111.3	Y286 F291 V360 N362	Y286-E423 HydrophobicContact CE1-CB 4.41Å; F291-E423 HydrophobicContact CD1-CG 4.17Å; F291-E423 HydrophobicContact CE1-CB 4.44Å; F291-E423 HydrophobicContact CE1-CG 3.71Å; V360-E423 HydrophobicContact CB-CB 4.47Å; V360-E423 HydrophobicContact CG1-CB 4.31Å; V360-E423 PolarHBondContact O-N 2.78Å; N362-E423 HydrophobicContact CB-CG 3.79Å; N362-E423 WeakPolarHBondContact CB-OE1 3.32Å; N362-E423 PolarHBondContact ND2-OE1 2.85Å
424	D	84.1	Confident	72.5	Confident	51 Å²	51	45.9 Å²	45.9	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	158.7	177.5	-159	3.4	0	0	0	111.5	Y286 V360	Y286-D424 HydrophobicContact CE1-CB 4.49Å; Y286-D424 HydrophobicContact CE2-CB 4.1Å; Y286-D424 VanDerWaalsContact OH-CB 3.28Å; Y286-D424 WeakPolarHBondContact OH-CB 3.5Å; Y286-D424 PolarHBondContact OH-OD2 3.16Å; V360-D424 HydrophobicContact CB-CB 4.38Å; V360-D424 HydrophobicContact CG2-CB 4.29Å; V360-D424 PolarHBondContact N-O 2.92Å
425	I	82	Confident	72.8	Confident	26 Å²	26	52.3 Å²	52.3	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	104.8	170.9	-58.7	178.7	0	0	0	107.7	Y357 F380 V422	Y357-I425 HydrophobicContact CD1-CG2 3.78Å; Y357-I425 HydrophobicContact CE1-CG2 4.41Å; F380-I425 HydrophobicContact CE2-CD1 4.33Å; F380-I425 HydrophobicContact CZ-CG2 4.44Å; V422-I425 HydrophobicContact CG1-CD1 4.17Å; V422-I425 HydrophobicContact CG1-CG1 3.73Å
426	I	84.4	Confident	72.9	Confident	8 Å²	8	52 Å²	52	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.6	-177.5	-51.1	169.1	0	0	0	107.6	F279 N282 I283 Y286 V358 V360	F279-I426 HydrophobicContact CD2-CG2 3.53Å; F279-I426 HydrophobicContact CE2-CB 4.33Å; F279-I426 HydrophobicContact CE2-CG2 3.73Å; F279-I426 HydrophobicContact CG-CG2 4.4Å; N282-I426 HydrophobicContact CB-CD1 4.28Å; N282-I426 HydrophobicContact CB-CG2 3.91Å; I283-I426 HydrophobicContact CB-CD1 4.21Å; I283-I426 HydrophobicContact CG1-CB 4.37Å; I283-I426 HydrophobicContact CG1-CD1 3.54Å; I283-I426 HydrophobicContact CG1-CG2 4.17Å; Y286-I426 HydrophobicContact CD2-CD1 4.11Å; Y286-I426 HydrophobicContact CE2-CD1 4.01Å; V358-I426 HydrophobicContact CB-CB 4.5Å; V358-I426 PolarHBondContact N-O 3.33Å; V358-I426 PolarHBondContact O-N 2.72Å; V360-I426 HydrophobicContact CG2-CD1 3.98Å; V360-I426 HydrophobicContact CG2-CG1 4.44Å
427	K	84.6	Confident	72.4	Confident	94 Å²	94	56.3 Å²	56.3	41%	0.409	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.7	-175	65.9	-172.3	-179.8	-175.4	0	111.4	E356 Y357	E356-K427 CarbonylContact O-C 3.59Å; E356-K427 WeakPolarHBondContact O-CA 3.39Å; Y357-K427 HydrophobicContact CD1-CB 4.41Å; Y357-K427 HydrophobicContact CD2-CB 4.28Å; Y357-K427 HydrophobicContact CE1-CB 4.21Å; Y357-K427 HydrophobicContact CE2-CB 4.04Å; Y357-K427 HydrophobicContact CG-CB 4.46Å
428	L	84.9	Confident	71.8	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	104.3	168.7	175.7	67.5	0	0	0	107.4	R250 A275 E276 F279 E356 K430	R250-L428 VanDerWaalsContact NH2-CD2 3.34Å; A275-L428 HydrophobicContact CB-CD1 4.06Å; E276-L428 VanDerWaalsContact OE2-CD2 3.24Å; E276-L428 WeakPolarHBondContact OE2-CD2 3.38Å; F279-L428 HydrophobicContact CB-CB 4.31Å; F279-L428 HydrophobicContact CB-CD1 4.28Å; F279-L428 HydrophobicContact CD1-CB 4.4Å; F279-L428 HydrophobicContact CD1-CD2 4.14Å; F279-L428 HydrophobicContact CD2-CB 3.41Å; F279-L428 VanDerWaalsContact CD2-CB 3.41Å; F279-L428 HydrophobicContact CD2-CG 4.47Å; F279-L428 HydrophobicContact CE1-CD2 4.46Å; F279-L428 HydrophobicContact CE2-CB 3.61Å; F279-L428 HydrophobicContact CG-CB 3.81Å; F279-L428 HydrophobicContact CG-CD2 4.17Å; F279-L428 HydrophobicContact CG-CG 4.43Å; F279-L428 HydrophobicContact CZ-CB 4.19Å; E356-L428 HydrophobicContact CB-CB 4.3Å; E356-L428 PolarHBondContact N-O 3.36Å; E356-L428 PolarHBondContact O-N 2.81Å; L428-K430 HydrophobicContact CD1-CG 4.42Å
429	V	85	Confident	71.7	Confident	38 Å²	38	51 Å²	51	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123	177.1	-176.2	0	0	0	0	107.4	S354 L355 Y357 T434 I443 W452	S354-V429 WeakPolarHBondContact O-CA 3.44Å; L355-V429 HydrophobicContact CD1-CG2 4.48Å; L355-V429 HydrophobicContact CG-CG2 4.43Å; Y357-V429 HydrophobicContact CE2-CG2 3.88Å; V429-T434 HydrophobicContact CB-CG2 4.29Å; V429-T434 HydrophobicContact CG1-CG2 3.77Å; V429-I443 HydrophobicContact CG1-CD1 4.04Å; V429-I443 HydrophobicContact CG2-CD1 4.35Å; V429-W452 HydrophobicContact CG1-CZ2 4.23Å
430	K	87.1	Confident	71.3	Confident	64 Å²	64	54.2 Å²	54.2	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.6	177	-60.7	-179	179.9	176.7	0	109	E276 G353 S354 L428 A461	E276-K430 WeakPolarHBondContact OE2-CE 3.4Å; E276-K430 IonicContact OE2-NZ 3.83Å; E276-K430 PolarHBondContact OE2-NZ 3.03Å; G353-K430 CarbonylContact C-O 3.57Å; G353-K430 VanDerWaalsContact CA-O 3.22Å; G353-K430 WeakPolarHBondContact CA-O 3.42Å; S354-K430 PolarHBondContact N-O 3.37Å; S354-K430 PolarHBondContact O-N 2.83Å; S354-K430 WeakPolarHBondContact OG-CB 3.26Å; L428-K430 HydrophobicContact CD1-CG 4.42Å; K430-A461 HydrophobicContact CB-CB 3.98Å
431	G	86	Confident	70.9	Confident	15 Å²	15	53 Å²	53	16%	0.155	32%	0.319	C	S	.	.	S	Bend	trans	77.4	163.8	-177	0	0	0	0	0	112.6	W452 N459	G431-W452 PolarHBondContact O-NE1 3.3Å; G431-N459 CarbonylContact C-O 3.59Å; G431-N459 WeakPolarHBondContact CA-O 3.22Å
432	G	84.4	Confident	70.4	Confident	4 Å²	4	54.3 Å²	54.3	4%	0.041	33%	0.327	C	S	.	.	S	Bend	trans	83.1	173.2	-178.2	0	0	0	0	0	111.7	S455 L456 N459	G432-S455 VanDerWaalsContact CA-OG 3.23Å; G432-S455 WeakPolarHBondContact CA-OG 3.49Å; G432-L456 VanDerWaalsContact N-CD2 3.3Å; G432-N459 PolarHBondContact N-O 2.61Å; G432-N459 PolarHBondContact O-ND2 2.83Å
433	I	77.3	Confident	69.8	Low	76 Å²	76	54.3 Å²	54.3	39%	0.39	33%	0.327	S	S	.	.			trans	-88.8	110.6	174	-60.8	172.6	0	0	0	107	E435 L441 S455	I433-E435 WeakPolarHBondContact CG2-O 3.46Å; I433-L441 HydrophobicContact CG2-CD1 4.4Å; I433-L441 VanDerWaalsContact O-CD1 3.29Å; I433-L441 WeakPolarHBondContact O-CD1 3.49Å; I433-S455 PolarHBondContact N-OG 3.19Å
434	T	62.5	Low	69.1	Low	47 Å²	47	55.5 Å²	55.5	29%	0.288	33%	0.327	S	S	.	.			trans	-101.3	-7.1	177.5	53.2	0	0	0	0	112.6	V429 L440 L441	V429-T434 HydrophobicContact CB-CG2 4.29Å; V429-T434 HydrophobicContact CG1-CG2 3.77Å; T434-L440 CarbonylContact O-C 3.46Å; T434-L440 WeakPolarHBondContact O-CA 3.33Å; T434-L440 VanDerWaalsContact O-CD1 3.22Å; T434-L440 WeakPolarHBondContact O-CD1 3.29Å; T434-L440 WeakPolarHBondContact O-CG 3.25Å; T434-L441 WeakPolarHBondContact O-CA 3.3Å; T434-L441 WeakPolarHBondContact O-CB 3.43Å; T434-L441 PolarHBondContact O-N 3.03Å
435	E	56.2	Low	68.4	Low	142 Å²	142	56.2 Å²	56.2	66%	0.664	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.9	178.3	-72.3	-177.9	-178.9	0	0	110.1	I433 L440	I433-E435 WeakPolarHBondContact CG2-O 3.46Å; E435-L440 HydrophobicContact CG-CD1 3.49Å; E435-L440 VanDerWaalsContact CG-CD1 3.49Å
436	T	50	Low	68	Low	61 Å²	61	57.7 Å²	57.7	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	160.4	168.8	53.2	0	0	0	0	109.7	S438 G439 L441	T436-S438 PolarHBondContact O-N 2.79Å; T436-S438 PolarHBondContact OG1-OG 3.23Å; T436-G439 PolarHBondContact N-O 3.17Å; T436-G439 PolarHBondContact O-N 3.16Å; T436-G439 VanDerWaalsContact O-O 3.07Å; T436-G439 PolarHBondContact OG1-O 2.91Å; T436-G439 VanDerWaalsContact OG1-O 3.05Å; T436-L441 HydrophobicContact CG2-CD1 3.4Å; T436-L441 VanDerWaalsContact CG2-CD1 3.4Å; T436-L441 HydrophobicContact CG2-CG 3.65Å
437	G	41.7	Very low	67.7	Low	100 Å²	100	62.1 Å²	62.1	100%	1.031	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-4.8	177.4	0	0	0	0	0	115.6
438	S	39.1	Very low	67.4	Low	117 Å²	117	58.8 Å²	58.8	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	4.1	177.1	39.3	0	0	0	0	114.3	T436	T436-S438 PolarHBondContact O-N 2.79Å; T436-S438 PolarHBondContact OG1-OG 3.23Å
439	G	49.7	Very low	67.2	Low	39 Å²	39	59.4 Å²	59.4	40%	0.402	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.4	176	177.9	0	0	0	0	0	114.1	T436 L441	T436-G439 PolarHBondContact N-O 3.17Å; T436-G439 PolarHBondContact O-N 3.16Å; T436-G439 VanDerWaalsContact O-O 3.07Å; T436-G439 PolarHBondContact OG1-O 2.91Å; T436-G439 VanDerWaalsContact OG1-O 3.05Å; G439-L441 PolarHBondContact O-N 2.83Å
440	L	52.8	Low	67	Low	79 Å²	79	65 Å²	65	41%	0.414	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	120.7	176.1	-167.2	77.8	0	0	0	109.9	T434 E435 V442	T434-L440 CarbonylContact O-C 3.46Å; T434-L440 WeakPolarHBondContact O-CA 3.33Å; T434-L440 VanDerWaalsContact O-CD1 3.22Å; T434-L440 WeakPolarHBondContact O-CD1 3.29Å; T434-L440 WeakPolarHBondContact O-CG 3.25Å; E435-L440 HydrophobicContact CG-CD1 3.49Å; E435-L440 VanDerWaalsContact CG-CD1 3.49Å; L440-V442 VanDerWaalsContact C-N 3.34Å; L440-V442 HydrophobicContact CD2-CG2 4.31Å; L440-V442 WeakPolarHBondContact O-CG2 3.45Å; L440-V442 PolarHBondContact O-N 3.16Å
441	L	55.8	Low	66.7	Low	57 Å²	57	68.6 Å²	68.6	30%	0.298	38%	0.384	S	S	.	.			trans	-61.6	96.8	164.6	-92.4	165.3	0	0	0	107.9	I433 T434 T436 G439	I433-L441 HydrophobicContact CG2-CD1 4.4Å; I433-L441 VanDerWaalsContact O-CD1 3.29Å; I433-L441 WeakPolarHBondContact O-CD1 3.49Å; T434-L441 WeakPolarHBondContact O-CA 3.3Å; T434-L441 WeakPolarHBondContact O-CB 3.43Å; T434-L441 PolarHBondContact O-N 3.03Å; T436-L441 HydrophobicContact CG2-CD1 3.4Å; T436-L441 VanDerWaalsContact CG2-CD1 3.4Å; T436-L441 HydrophobicContact CG2-CG 3.65Å; G439-L441 PolarHBondContact O-N 2.83Å
442	V	65.5	Low	66.7	Low	29 Å²	29	68.2 Å²	68.2	18%	0.176	38%	0.378	C	S	.	.			trans	-85.8	116.6	172.4	-169.7	0	0	0	0	107.5	L440 R444	L440-V442 VanDerWaalsContact C-N 3.34Å; L440-V442 HydrophobicContact CD2-CG2 4.31Å; L440-V442 WeakPolarHBondContact O-CG2 3.45Å; L440-V442 PolarHBondContact O-N 3.16Å; V442-R444 HydrophobicContact CB-CG 3.96Å; V442-R444 HydrophobicContact CG1-CG 3.6Å; V442-R444 WeakPolarHBondContact O-CG 3.45Å; V442-R444 PolarHBondContact O-N 2.96Å; V442-R444 VanDerWaalsContact O-N 3.16Å
443	I	67.5	Low	66.7	Low	5 Å²	5	69.1 Å²	69.1	3%	0.026	39%	0.387	C	S	.	.			trans	-71.1	109.6	173.2	-58.1	161.6	0	0	0	106.7	L355 Y357 L384 V429 Y449 W452	L355-I443 HydrophobicContact CD1-CB 4.04Å; L355-I443 HydrophobicContact CD1-CD1 3.54Å; L355-I443 HydrophobicContact CD1-CG1 4.38Å; L355-I443 HydrophobicContact CD1-CG2 3.71Å; Y357-I443 PolarHBondContact OH-O 2.87Å; L384-I443 HydrophobicContact CD2-CG2 4.34Å; V429-I443 HydrophobicContact CG1-CD1 4.04Å; V429-I443 HydrophobicContact CG2-CD1 4.35Å; I443-Y449 HydrophobicContact CG2-CD2 4.25Å; I443-W452 HydrophobicContact CD1-CB 3.69Å; I443-W452 HydrophobicContact CD1-CD2 3.77Å; I443-W452 HydrophobicContact CD1-CE3 4.44Å; I443-W452 HydrophobicContact CD1-CG 3.39Å; I443-W452 HydrophobicContact CG1-CB 3.96Å; I443-W452 HydrophobicContact CG1-CG 4.22Å
444	R	69.3	Low	66.9	Low	106 Å²	106	68.6 Å²	68.6	40%	0.4	39%	0.394	S	S	.	.			trans	-126.3	-20.1	-171	-69.7	178.3	-177.8	175.1	3.6	113.2	N415 V442 T448	N415-R444 VanDerWaalsContact ND2-CZ 3.34Å; N415-R444 PolarHBondContact ND2-NH1 3.4Å; V442-R444 HydrophobicContact CB-CG 3.96Å; V442-R444 HydrophobicContact CG1-CG 3.6Å; V442-R444 WeakPolarHBondContact O-CG 3.45Å; V442-R444 PolarHBondContact O-N 2.96Å; V442-R444 VanDerWaalsContact O-N 3.16Å; R444-T448 PolarHBondContact N-OG1 3.16Å
445	D	70.9	Confident	68.1	Low	66 Å²	66	67 Å²	67	35%	0.353	39%	0.385	S	S	.	.	S	Bend	trans	-150.1	173.2	-173.8	57.2	55.1	0	0	0	111.2	S383 D447 T448 Y449	S383-D445 CarbonylContact O-C 3.5Å; S383-D445 WeakPolarHBondContact O-CA 3.22Å; D445-D447 VanDerWaalsContact C-N 3.28Å; D445-D447 PolarHBondContact O-N 2.83Å; D445-D447 PolarHBondContact OD1-N 3.24Å; D445-T448 VanDerWaalsContact CG-OG1 3.32Å; D445-T448 PolarHBondContact N-OG1 2.83Å; D445-T448 PolarHBondContact O-N 2.88Å; D445-T448 PolarHBondContact O-OG1 2.76Å; D445-T448 WeakPolarHBondContact OD1-CB 3.4Å; D445-T448 WeakPolarHBondContact OD1-CG2 3.19Å; D445-T448 PolarHBondContact OD1-N 3.31Å; D445-T448 PolarHBondContact OD1-OG1 2.86Å; D445-Y449 WeakPolarHBondContact O-CB 3.26Å; D445-Y449 PolarHBondContact O-N 2.81Å
446	Q	73.9	Confident	69.5	Low	58 Å²	58	60.3 Å²	60.3	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-34.8	179	-173.7	173.7	19.8	0	0	113.7	S383 R450	S383-Q446 PolarHBondContact O-N 3.42Å; Q446-R450 WeakPolarHBondContact O-CB 3.37Å; Q446-R450 VanDerWaalsContact O-CG 3.31Å; Q446-R450 WeakPolarHBondContact O-CG 2.94Å; Q446-R450 PolarHBondContact O-N 3.32Å
447	D	76.9	Confident	71.1	Confident	100 Å²	100	58.6 Å²	58.6	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-74.1	-42.8	-177.8	-71.9	-27.5	0	0	0	111.1	D445 Y449 R450 K451	D445-D447 VanDerWaalsContact C-N 3.28Å; D445-D447 PolarHBondContact O-N 2.83Å; D445-D447 PolarHBondContact OD1-N 3.24Å; D447-Y449 VanDerWaalsContact C-N 3.33Å; D447-R450 PolarHBondContact O-N 2.91Å; D447-K451 WeakPolarHBondContact O-CG 3.37Å; D447-K451 PolarHBondContact O-N 3.42Å
448	T	78.2	Confident	73	Confident	25 Å²	25	58.3 Å²	58.3	15%	0.153	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-35.5	173.2	50.9	0	0	0	0	111.7	R444 D445 K451 W452	R444-T448 PolarHBondContact N-OG1 3.16Å; D445-T448 VanDerWaalsContact CG-OG1 3.32Å; D445-T448 PolarHBondContact N-OG1 2.83Å; D445-T448 PolarHBondContact O-N 2.88Å; D445-T448 PolarHBondContact O-OG1 2.76Å; D445-T448 WeakPolarHBondContact OD1-CB 3.4Å; D445-T448 WeakPolarHBondContact OD1-CG2 3.19Å; D445-T448 PolarHBondContact OD1-N 3.31Å; D445-T448 PolarHBondContact OD1-OG1 2.86Å; T448-K451 PolarHBondContact O-N 3.33Å; T448-W452 WeakPolarHBondContact O-CB 3.16Å; T448-W452 PolarHBondContact O-N 3.48Å
449	Y	80.2	Confident	75.3	Confident	20 Å²	20	55.7 Å²	55.7	8%	0.078	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-45.3	171.4	177.8	-101	0	0	0	112.2	S298 V300 L355 I386 I443 D445 D447 K451 W452 G453	S298-Y449 PolarHBondContact OG-OH 3.47Å; V300-Y449 WeakPolarHBondContact CG2-OH 3.22Å; L355-Y449 HydrophobicContact CD1-CD2 4.26Å; I386-Y449 HydrophobicContact CD1-CD2 4.35Å; I386-Y449 HydrophobicContact CD1-CE2 4.15Å; I386-Y449 HydrophobicContact CG1-CD2 4.48Å; I386-Y449 HydrophobicContact CG1-CE2 4.23Å; I443-Y449 HydrophobicContact CG2-CD2 4.25Å; D445-Y449 WeakPolarHBondContact O-CB 3.26Å; D445-Y449 PolarHBondContact O-N 2.81Å; D447-Y449 VanDerWaalsContact C-N 3.33Å; Y449-K451 PolarHBondContact O-N 3.35Å; Y449-W452 AromaticContact CD2-CE3 3.9Å; Y449-W452 HydrophobicContact CD2-CE3 3.9Å; Y449-W452 HydrophobicContact CD2-CZ3 4.15Å; Y449-W452 AromaticContact CE2-CE3 3.74Å; Y449-W452 HydrophobicContact CE2-CE3 3.74Å; Y449-W452 AromaticContact CE2-CZ3 3.51Å; Y449-W452 HydrophobicContact CE2-CZ3 3.51Å; Y449-W452 PolarHBondContact O-N 3.17Å; Y449-G453 PolarHBondContact O-N 2.8Å
450	R	80.9	Confident	77.3	Confident	155 Å²	155	53.9 Å²	53.9	59%	0.585	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-40.6	175.2	-76.2	173.2	174.1	-177.6	-0.8	112.4	Q446 D447 G453 A454	Q446-R450 WeakPolarHBondContact O-CB 3.37Å; Q446-R450 VanDerWaalsContact O-CG 3.31Å; Q446-R450 WeakPolarHBondContact O-CG 2.94Å; Q446-R450 PolarHBondContact O-N 3.32Å; D447-R450 PolarHBondContact O-N 2.91Å; R450-G453 PolarHBondContact O-N 2.76Å; R450-A454 WeakPolarHBondContact O-CB 3.21Å; R450-A454 PolarHBondContact O-N 3.44Å
451	K	82.2	Confident	79.1	Confident	140 Å²	140	50.7 Å²	50.7	61%	0.609	25%	0.253	S	S	*	.	H	α-helix	trans	-63.3	-44.1	175	-74.1	172.8	-177.8	176.2	0	111.8	D447 T448 Y449 A454 S455	D447-K451 WeakPolarHBondContact O-CG 3.37Å; D447-K451 PolarHBondContact O-N 3.42Å; T448-K451 PolarHBondContact O-N 3.33Å; Y449-K451 PolarHBondContact O-N 3.35Å; K451-A454 PolarHBondContact O-N 3.47Å; K451-S455 PolarHBondContact O-N 2.82Å; K451-S455 VanDerWaalsContact O-N 3.16Å
452	W	85.9	Confident	80.7	Confident	6 Å²	6	48.5 Å²	48.5	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-48.9	172.7	168	76.3	0	0	0	111	V300 L355 V429 G431 I443 T448 Y449 A454 S455 L456	V300-W452 HydrophobicContact CG2-CH2 4.32Å; V300-W452 HydrophobicContact CG2-CZ3 3.92Å; L355-W452 HydrophobicContact CB-CH2 4.02Å; L355-W452 HydrophobicContact CB-CZ2 4.4Å; L355-W452 HydrophobicContact CB-CZ3 4.35Å; V429-W452 HydrophobicContact CG1-CZ2 4.23Å; G431-W452 PolarHBondContact O-NE1 3.3Å; I443-W452 HydrophobicContact CD1-CB 3.69Å; I443-W452 HydrophobicContact CD1-CD2 3.77Å; I443-W452 HydrophobicContact CD1-CE3 4.44Å; I443-W452 HydrophobicContact CD1-CG 3.39Å; I443-W452 HydrophobicContact CG1-CB 3.96Å; I443-W452 HydrophobicContact CG1-CG 4.22Å; T448-W452 WeakPolarHBondContact O-CB 3.16Å; T448-W452 PolarHBondContact O-N 3.48Å; Y449-W452 AromaticContact CD2-CE3 3.9Å; Y449-W452 HydrophobicContact CD2-CE3 3.9Å; Y449-W452 HydrophobicContact CD2-CZ3 4.15Å; Y449-W452 AromaticContact CE2-CE3 3.74Å; Y449-W452 HydrophobicContact CE2-CE3 3.74Å; Y449-W452 AromaticContact CE2-CZ3 3.51Å; Y449-W452 HydrophobicContact CE2-CZ3 3.51Å; Y449-W452 PolarHBondContact O-N 3.17Å; W452-A454 VanDerWaalsContact C-N 3.31Å; W452-A454 PolarHBondContact O-N 2.81Å; W452-S455 WeakPolarHBondContact O-CA 3.42Å; W452-S455 WeakPolarHBondContact O-CB 3.28Å; W452-S455 PolarHBondContact O-N 3.46Å; W452-S455 PolarHBondContact O-OG 2.99Å; W452-L456 HydrophobicContact CE3-CD1 4.4Å; W452-L456 HydrophobicContact CH2-CD1 3.88Å; W452-L456 HydrophobicContact CH2-CD2 4.49Å; W452-L456 HydrophobicContact CZ2-CD1 4.04Å; W452-L456 HydrophobicContact CZ2-CD2 3.83Å; W452-L456 HydrophobicContact CZ2-CG 4.36Å; W452-L456 HydrophobicContact CZ3-CD1 4.05Å; W452-L456 PolarHBondContact O-N 2.85Å
453	G	84.6	Confident	81.7	Confident	23 Å²	23	47.9 Å²	47.9	24%	0.237	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-42.3	177.4	0	0	0	0	0	113	Y449 R450 S455 L456	Y449-G453 PolarHBondContact O-N 2.8Å; R450-G453 PolarHBondContact O-N 2.76Å; G453-S455 VanDerWaalsContact C-N 3.28Å; G453-S455 PolarHBondContact O-N 3.19Å; G453-L456 WeakPolarHBondContact O-CB 3.42Å; G453-L456 PolarHBondContact O-N 3.16Å
454	A	81.9	Confident	82.6	Confident	66 Å²	66	50.2 Å²	50.2	55%	0.545	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-31.9	175.4	0	0	0	0	0	112.9	R450 K451 W452 L456	R450-A454 WeakPolarHBondContact O-CB 3.21Å; R450-A454 PolarHBondContact O-N 3.44Å; K451-A454 PolarHBondContact O-N 3.47Å; W452-A454 VanDerWaalsContact C-N 3.31Å; W452-A454 PolarHBondContact O-N 2.81Å; A454-L456 VanDerWaalsContact C-N 3.32Å; A454-L456 PolarHBondContact O-N 3Å
455	S	85.8	Confident	83.6	Confident	14 Å²	14	47.7 Å²	47.7	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-74.4	-18.7	177.9	77.8	0	0	0	0	114.1	G432 I433 K451 W452 G453 K457 Y458 N459	G432-S455 VanDerWaalsContact CA-OG 3.23Å; G432-S455 WeakPolarHBondContact CA-OG 3.49Å; I433-S455 PolarHBondContact N-OG 3.19Å; K451-S455 PolarHBondContact O-N 2.82Å; K451-S455 VanDerWaalsContact O-N 3.16Å; W452-S455 WeakPolarHBondContact O-CA 3.42Å; W452-S455 WeakPolarHBondContact O-CB 3.28Å; W452-S455 PolarHBondContact O-N 3.46Å; W452-S455 PolarHBondContact O-OG 2.99Å; G453-S455 VanDerWaalsContact C-N 3.28Å; G453-S455 PolarHBondContact O-N 3.19Å; S455-K457 PolarHBondContact O-N 2.85Å; S455-Y458 PolarHBondContact O-N 3.22Å; S455-N459 PolarHBondContact O-N 3.44Å; S455-N459 VanDerWaalsContact O-N 3.14Å
456	L	87.2	Confident	84.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24	179.8	-64.9	176.6	0	0	0	113.2	V300 T302 G432 W452 G453 A454 Y458 P460	V300-L456 HydrophobicContact CB-CD1 3.59Å; V300-L456 HydrophobicContact CG1-CD1 3.76Å; V300-L456 HydrophobicContact CG2-CD1 4.2Å; T302-L456 HydrophobicContact CG2-CB 3.78Å; G432-L456 VanDerWaalsContact N-CD2 3.3Å; W452-L456 HydrophobicContact CE3-CD1 4.4Å; W452-L456 HydrophobicContact CH2-CD1 3.88Å; W452-L456 HydrophobicContact CH2-CD2 4.49Å; W452-L456 HydrophobicContact CZ2-CD1 4.04Å; W452-L456 HydrophobicContact CZ2-CD2 3.83Å; W452-L456 HydrophobicContact CZ2-CG 4.36Å; W452-L456 HydrophobicContact CZ3-CD1 4.05Å; W452-L456 PolarHBondContact O-N 2.85Å; G453-L456 WeakPolarHBondContact O-CB 3.42Å; G453-L456 PolarHBondContact O-N 3.16Å; A454-L456 VanDerWaalsContact C-N 3.32Å; A454-L456 PolarHBondContact O-N 3Å; L456-Y458 PolarHBondContact O-N 3.45Å; L456-P460 WeakPolarHBondContact O-CA 3.39Å; L456-P460 VanDerWaalsContact O-CB 3.31Å; L456-P460 WeakPolarHBondContact O-CB 3.45Å; L456-P460 VanDerWaalsContact O-CD 3.31Å; L456-P460 WeakPolarHBondContact O-CD 3.35Å
457	K	82.1	Confident	85.4	Confident	25 Å²	25	49 Å²	49	11%	0.109	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.3	174	-175.4	-174.3	173.8	-155.2	0	111.6	P157 N192 E213 S455	P157-K457 WeakPolarHBondContact CB-O 3.47Å; P157-K457 WeakPolarHBondContact CG-O 3Å; N192-K457 WeakPolarHBondContact ND2-CE 3.1Å; N192-K457 PolarHBondContact ND2-NZ 2.86Å; N192-K457 WeakPolarHBondContact OD1-CE 3.43Å; E213-K457 IonicContact OE2-NZ 3.94Å; E213-K457 PolarHBondContact OE2-NZ 2.94Å; S455-K457 PolarHBondContact O-N 2.85Å
458	Y	82	Confident	86.1	Confident	94 Å²	94	47.8 Å²	47.8	37%	0.369	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-35.4	-174.3	-53	-59.1	0	0	0	113.1	E213 S455 L456 P460	E213-Y458 VanDerWaalsContact CD-CE1 3.48Å; E213-Y458 WeakPolarHBondContact OE1-CE1 3.25Å; E213-Y458 WeakPolarHBondContact OE2-CE1 3.18Å; E213-Y458 PolarHBondContact OE2-OH 3.35Å; S455-Y458 PolarHBondContact O-N 3.22Å; L456-Y458 PolarHBondContact O-N 3.45Å; Y458-P460 VanDerWaalsContact C-CD 3.49Å
459	N	88.3	Confident	87	Confident	62 Å²	62	48 Å²	48	33%	0.332	24%	0.242	S	C	.	.	S	Bend	trans	-129.4	64.4	-179	-171.6	25.3	0	0	0	111.2	G431 G432 S455	G431-N459 CarbonylContact C-O 3.59Å; G431-N459 WeakPolarHBondContact CA-O 3.22Å; G432-N459 PolarHBondContact N-O 2.61Å; G432-N459 PolarHBondContact O-ND2 2.83Å; S455-N459 PolarHBondContact O-N 3.44Å; S455-N459 VanDerWaalsContact O-N 3.14Å
460	P	91.7	Very high	87.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.238	C	C	.	.			trans	-72.4	160.3	179	29.3	-31.9	0	0	0	111.8	P157 M351 G352 L456 Y458	P157-P460 HydrophobicContact CB-CG 4.04Å; M351-P460 HydrophobicContact CB-CB 3.97Å; M351-P460 HydrophobicContact CB-CG 4.25Å; G352-P460 CarbonylContact O-C 3.51Å; G352-P460 VanDerWaalsContact O-CA 3.26Å; G352-P460 WeakPolarHBondContact O-CA 3.47Å; L456-P460 WeakPolarHBondContact O-CA 3.39Å; L456-P460 VanDerWaalsContact O-CB 3.31Å; L456-P460 WeakPolarHBondContact O-CB 3.45Å; L456-P460 VanDerWaalsContact O-CD 3.31Å; L456-P460 WeakPolarHBondContact O-CD 3.35Å; Y458-P460 VanDerWaalsContact C-CD 3.49Å
461	A	90.6	Very high	88.5	Confident	13 Å²	13	40.6 Å²	40.6	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	163.7	165.3	0	0	0	0	0	110.2	M351 G352 K430 T463	M351-A461 CarbonylContact C-O 3.56Å; G352-A461 CarbonylContact C-O 3.57Å; G352-A461 PolarHBondContact N-O 2.7Å; G352-A461 PolarHBondContact O-N 3.13Å; K430-A461 HydrophobicContact CB-CB 3.98Å; A461-T463 PolarHBondContact O-N 3.49Å
462	L	89.3	Confident	89.2	Confident	11 Å²	11	35.9 Å²	35.9	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123	172	-89.8	72.6	0	0	0	109.8	R161 F173 F305 V346 M351 F465	R161-L462 HydrophobicContact CB-CD1 3.53Å; R161-L462 WeakPolarHBondContact O-CD1 3.24Å; F173-L462 HydrophobicContact CE1-CD2 3.9Å; F173-L462 HydrophobicContact CE2-CB 4.28Å; F173-L462 HydrophobicContact CZ-CB 3.86Å; F173-L462 HydrophobicContact CZ-CD2 3.78Å; F173-L462 HydrophobicContact CZ-CG 4.43Å; F305-L462 HydrophobicContact CE1-CG 4.28Å; F305-L462 HydrophobicContact CZ-CD2 4.13Å; F305-L462 HydrophobicContact CZ-CG 4.35Å; V346-L462 HydrophobicContact CB-CD2 4.33Å; V346-L462 HydrophobicContact CG1-CD2 3.92Å; V346-L462 HydrophobicContact CG2-CD2 3.76Å; M351-L462 HydrophobicContact CE-CD1 3.83Å; M351-L462 HydrophobicContact SD-CD1 3.54Å; M351-L462 VanDerWaalsContact SD-CD1 3.54Å; M351-L462 HydrophobicContact SD-CG 4.22Å; L462-F465 HydrophobicContact CB-CD1 4.15Å; L462-F465 HydrophobicContact CD2-CB 4.09Å; L462-F465 HydrophobicContact CD2-CD1 4.26Å; L462-F465 HydrophobicContact CD2-CG 4.2Å
463	T	86.3	Confident	89.7	Confident	16 Å²	16	35.6 Å²	35.6	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-42.1	177.5	62.4	0	0	0	0	112.5	T350 A461	T350-T463 PolarHBondContact O-N 3.33Å; T350-T463 PolarHBondContact O-OG1 2.78Å; A461-T463 PolarHBondContact O-N 3.49Å
464	D	86.8	Confident	90.3	Very high	53 Å²	53	34.5 Å²	34.5	28%	0.283	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.6	-176	-50.1	-73.6	0	0	0	108.1	K299 G349 T350	K299-D464 IonicContact NZ-OD1 3.47Å; K299-D464 PolarHBondContact NZ-OD1 3.43Å; G349-D464 CarbonylContact C-O 3.23Å; G349-D464 WeakPolarHBondContact CA-O 3.27Å; T350-D464 PolarHBondContact N-O 3.31Å
465	F	91.1	Very high	91	Very high	54 Å²	54	38.5 Å²	38.5	24%	0.237	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	155.7	-171.4	54.1	-87.5	0	0	0	113.2	Y166 F173 V346 E348 L462 I467	Y166-F465 HydrophobicContact CD1-CE2 4.44Å; Y166-F465 HydrophobicContact CD2-CE2 4.07Å; Y166-F465 HydrophobicContact CD2-CZ 4.11Å; Y166-F465 HydrophobicContact CE1-CE2 4.36Å; Y166-F465 HydrophobicContact CE2-CE2 4.01Å; Y166-F465 AromaticContact CE2-CZ 3.71Å; Y166-F465 HydrophobicContact CE2-CZ 3.71Å; Y166-F465 HydrophobicContact CG-CE2 4.29Å; F173-F465 HydrophobicContact CE1-CZ 4.47Å; F173-F465 HydrophobicContact CE2-CE1 4.06Å; F173-F465 HydrophobicContact CE2-CZ 4.2Å; F173-F465 HydrophobicContact CZ-CD1 4.03Å; F173-F465 AromaticContact CZ-CE1 3.6Å; F173-F465 HydrophobicContact CZ-CE1 3.6Å; F173-F465 HydrophobicContact CZ-CE2 4.13Å; F173-F465 HydrophobicContact CZ-CG 4.49Å; F173-F465 AromaticContact CZ-CZ 3.66Å; F173-F465 HydrophobicContact CZ-CZ 3.66Å; V346-F465 HydrophobicContact CG1-CB 3.95Å; V346-F465 HydrophobicContact CG2-CD2 4.18Å; E348-F465 CarbonylContact O-C 3.56Å; E348-F465 VanDerWaalsContact O-CA 3.28Å; E348-F465 WeakPolarHBondContact O-CA 3.39Å; L462-F465 HydrophobicContact CB-CD1 4.15Å; L462-F465 HydrophobicContact CD2-CB 4.09Å; L462-F465 HydrophobicContact CD2-CD1 4.26Å; L462-F465 HydrophobicContact CD2-CG 4.2Å; F465-I467 HydrophobicContact CD2-CG2 3.55Å; F465-I467 HydrophobicContact CE2-CG2 3.75Å
466	E	90.2	Very high	91.5	Very high	120 Å²	120	40.5 Å²	40.5	56%	0.561	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	147	169.9	-62	-169.2	166.8	0	0	110.1	V346 T347 E348	V346-E466 WeakPolarHBondContact CA-O 3.04Å; T347-E466 PolarHBondContact N-O 3.5Å; T347-E466 PolarHBondContact OG1-O 2.97Å; E348-E466 HydrophobicContact CB-CB 4.38Å; E348-E466 PolarHBondContact O-N 3.45Å
467	I	91.3	Very high	91.9	Very high	31 Å²	31	40.7 Å²	40.7	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.7	-176.1	62.5	179.3	0	0	0	112.1	Y166 L168 H344 Y345 V346 F465	Y166-I467 HydrophobicContact CD1-CD1 3.76Å; Y166-I467 HydrophobicContact CD1-CG2 4.32Å; Y166-I467 HydrophobicContact CE1-CD1 3.99Å; L168-I467 HydrophobicContact CD1-CD1 4.28Å; H344-I467 HydrophobicContact CB-CB 4.04Å; H344-I467 HydrophobicContact CB-CD1 3.99Å; H344-I467 HydrophobicContact CB-CG1 4.34Å; Y345-I467 WeakPolarHBondContact O-CA 3.42Å; Y345-I467 WeakPolarHBondContact O-CB 3.38Å; V346-I467 HydrophobicContact CG2-CG2 4.38Å; F465-I467 HydrophobicContact CD2-CG2 3.55Å; F465-I467 HydrophobicContact CE2-CG2 3.75Å
468	L	93	Very high	92.5	Very high	74 Å²	74	41.7 Å²	41.7	39%	0.387	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.6	166.7	-73	-177.5	0	0	0	110.6	H344 Y345 T347	H344-L468 CarbonylContact C-O 3.44Å; H344-L468 WeakPolarHBondContact CA-O 3.28Å; H344-L468 VanDerWaalsContact CB-O 3.26Å; H344-L468 WeakPolarHBondContact CB-O 2.98Å; H344-L468 VanDerWaalsContact CD2-C 3.46Å; Y345-L468 HydrophobicContact CD1-CB 4.19Å; Y345-L468 VanDerWaalsContact CD1-O 3.26Å; Y345-L468 WeakPolarHBondContact CD1-O 3.2Å; Y345-L468 HydrophobicContact CE1-CB 3.52Å; Y345-L468 PolarHBondContact N-O 2.97Å; Y345-L468 PolarHBondContact O-N 3.25Å; T347-L468 HydrophobicContact CG2-CB 4.01Å; T347-L468 HydrophobicContact CG2-CD1 3.73Å; T347-L468 HydrophobicContact CG2-CG 3.71Å
469	P	95.4	Very high	93	Very high	31 Å²	31	37.2 Å²	37.2	20%	0.201	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	143.2	176.7	-25.5	35.4	0	0	0	112.1	F471 E472 I494	P469-F471 HydrophobicContact CB-CD1 3.68Å; P469-F471 HydrophobicContact CB-CE1 3.27Å; P469-F471 HydrophobicContact CB-CG 4.46Å; P469-F471 HydrophobicContact CB-CZ 3.78Å; P469-F471 HydrophobicContact CG-CE1 4Å; P469-F471 HydrophobicContact CG-CZ 4.15Å; P469-F471 PolarHBondContact O-N 3.31Å; P469-F471 VanDerWaalsContact O-N 3.16Å; P469-E472 WeakPolarHBondContact O-CB 3.35Å; P469-E472 PolarHBondContact O-N 2.91Å; P469-I494 HydrophobicContact CB-CD1 4.36Å
470	I	96.3	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-25.7	-171.4	-156.2	168.6	0	0	0	113.6	V177 F318 L338 F341 G342 T343 E472 A473 V474 I494	V177-I470 HydrophobicContact CG1-CD1 4.46Å; V177-I470 HydrophobicContact CG1-CG1 4.17Å; V177-I470 HydrophobicContact CG2-CD1 3.76Å; V177-I470 HydrophobicContact CG2-CG1 4.31Å; F318-I470 HydrophobicContact CE2-CD1 3.58Å; F318-I470 HydrophobicContact CE2-CG1 3.95Å; F318-I470 HydrophobicContact CZ-CD1 4.14Å; F318-I470 HydrophobicContact CZ-CG1 3.99Å; L338-I470 HydrophobicContact CD2-CG2 3.71Å; F341-I470 HydrophobicContact CB-CD1 3.85Å; F341-I470 WeakPolarHBondContact O-CD1 3.43Å; G342-I470 WeakPolarHBondContact O-CD1 3.09Å; T343-I470 PolarHBondContact O-N 3.47Å; I470-E472 PolarHBondContact O-N 2.83Å; I470-A473 WeakPolarHBondContact O-CB 3.31Å; I470-A473 PolarHBondContact O-N 3.05Å; I470-V474 PolarHBondContact O-N 2.87Å; I470-I494 HydrophobicContact CG2-CD1 3.72Å
471	F	96.3	Very high	93.1	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-25.3	173.9	67.7	-100.8	0	0	0	112.8	P469 A473 V474 R475 I487 L490 E491 I494	P469-F471 HydrophobicContact CB-CD1 3.68Å; P469-F471 HydrophobicContact CB-CE1 3.27Å; P469-F471 HydrophobicContact CB-CG 4.46Å; P469-F471 HydrophobicContact CB-CZ 3.78Å; P469-F471 HydrophobicContact CG-CE1 4Å; P469-F471 HydrophobicContact CG-CZ 4.15Å; P469-F471 PolarHBondContact O-N 3.31Å; P469-F471 VanDerWaalsContact O-N 3.16Å; F471-A473 VanDerWaalsContact C-N 3.34Å; F471-V474 PolarHBondContact O-N 3.18Å; F471-R475 WeakPolarHBondContact O-CB 3.13Å; F471-R475 PolarHBondContact O-N 2.02Å; F471-I487 HydrophobicContact CB-CG2 4.49Å; F471-L490 HydrophobicContact CB-CB 3.84Å; F471-E491 HydrophobicContact CD1-CB 3.82Å; F471-E491 HydrophobicContact CD1-CG 4.37Å; F471-E491 HydrophobicContact CD2-CB 4.29Å; F471-E491 HydrophobicContact CE1-CB 3.9Å; F471-E491 HydrophobicContact CE1-CG 3.94Å; F471-E491 HydrophobicContact CE2-CB 4.36Å; F471-E491 HydrophobicContact CG-CB 4.04Å; F471-E491 HydrophobicContact CZ-CB 4.19Å; F471-E491 HydrophobicContact CZ-CG 4.03Å; F471-E491 WeakPolarHBondContact CZ-OE1 3.49Å; F471-I494 HydrophobicContact CD1-CD1 3.54Å; F471-I494 HydrophobicContact CE1-CD1 4.15Å
472	E	96.6	Very high	93	Very high	41 Å²	41	43.3 Å²	43.3	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-32.6	174.2	-69.3	-66.9	170.3	0	0	111	Y345 P469 I470 V474 R475 L476	Y345-E472 HydrophobicContact CE1-CB 4.24Å; P469-E472 WeakPolarHBondContact O-CB 3.35Å; P469-E472 PolarHBondContact O-N 2.91Å; I470-E472 PolarHBondContact O-N 2.83Å; E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.39Å; E472-R475 PolarHBondContact O-N 2.63Å; E472-R475 IonicContact OE1-NH1 3.69Å; E472-R475 PolarHBondContact OE1-NH1 2.03Å; E472-R475 VanDerWaalsContact OE2-CD 3.29Å; E472-R475 WeakPolarHBondContact OE2-CD 3.18Å; E472-R475 IonicContact OE2-NH1 3.35Å; E472-L476 VanDerWaalsContact O-CB 3.31Å; E472-L476 WeakPolarHBondContact O-CB 3.43Å; E472-L476 VanDerWaalsContact O-CG 3.25Å; E472-L476 WeakPolarHBondContact O-CG 2.82Å; E472-L476 PolarHBondContact O-N 2.82Å
473	A	97	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-43.7	171.4	0	0	0	0	0	110.9	V177 Y345 I470 F471 L476 S477	V177-A473 HydrophobicContact CG1-CB 4.11Å; Y345-A473 HydrophobicContact CD1-CB 3.63Å; Y345-A473 HydrophobicContact CD2-CB 4.09Å; Y345-A473 HydrophobicContact CE1-CB 3.7Å; Y345-A473 HydrophobicContact CE2-CB 4.16Å; Y345-A473 HydrophobicContact CG-CB 3.82Å; I470-A473 WeakPolarHBondContact O-CB 3.31Å; I470-A473 PolarHBondContact O-N 3.05Å; F471-A473 VanDerWaalsContact C-N 3.34Å; A473-L476 PolarHBondContact O-N 2.79Å; A473-S477 VanDerWaalsContact O-CB 3.24Å; A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 3.05Å; A473-S477 VanDerWaalsContact O-N 3.1Å
474	V	97.2	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-48.4	176.5	-177.3	0	0	0	0	110.5	F318 L322 I470 F471 E472 L476 S477 A483 I487 L490	F318-V474 HydrophobicContact CE1-CG2 3.81Å; F318-V474 HydrophobicContact CZ-CG2 3.99Å; L322-V474 HydrophobicContact CD1-CG1 4.29Å; L322-V474 HydrophobicContact CD1-CG2 4.15Å; L322-V474 HydrophobicContact CD2-CB 4.5Å; L322-V474 HydrophobicContact CD2-CG1 3.66Å; L322-V474 HydrophobicContact CD2-CG2 4Å; I470-V474 PolarHBondContact O-N 2.87Å; F471-V474 PolarHBondContact O-N 3.18Å; E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.39Å; V474-L476 VanDerWaalsContact C-N 3.26Å; V474-L476 PolarHBondContact O-N 3.07Å; V474-S477 WeakPolarHBondContact O-CB 3.05Å; V474-S477 PolarHBondContact O-N 3.44Å; V474-S477 VanDerWaalsContact O-N 3.09Å; V474-S477 PolarHBondContact O-OG 2.88Å; V474-A483 HydrophobicContact CG1-CB 3.59Å; V474-I487 HydrophobicContact CG1-CD1 4.09Å; V474-I487 HydrophobicContact CG1-CG1 3.83Å; V474-L490 HydrophobicContact CG2-CD1 4.09Å
475	R	96.4	Very high	93.5	Very high	151 Å²	151	43.6 Å²	43.6	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-60.6	-34.6	-179.1	-170.9	-173.7	-178.1	-178.4	2.1	113.3	F471 E472 A480 I487	F471-R475 WeakPolarHBondContact O-CB 3.13Å; F471-R475 PolarHBondContact O-N 2.02Å; E472-R475 PolarHBondContact O-N 2.63Å; E472-R475 IonicContact OE1-NH1 3.69Å; E472-R475 PolarHBondContact OE1-NH1 2.03Å; E472-R475 VanDerWaalsContact OE2-CD 3.29Å; E472-R475 WeakPolarHBondContact OE2-CD 3.18Å; E472-R475 IonicContact OE2-NH1 3.35Å; R475-A480 WeakPolarHBondContact O-CB 3.46Å; R475-I487 HydrophobicContact CB-CG2 4.36Å
476	L	96.6	Very high	93.6	Very high	55 Å²	55	42 Å²	42	29%	0.288	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.2	-179.7	-61.6	172.2	0	0	0	112.7	N310 Q311 L312 E472 A473 V474	N310-L476 CarbonylContact C-O 3.54Å; Q311-L476 WeakPolarHBondContact CA-O 3.03Å; Q311-L476 PolarHBondContact N-O 2.72Å; L312-L476 HydrophobicContact CD1-CB 4.1Å; L312-L476 PolarHBondContact N-O 2.91Å; E472-L476 VanDerWaalsContact O-CB 3.31Å; E472-L476 WeakPolarHBondContact O-CB 3.43Å; E472-L476 VanDerWaalsContact O-CG 3.25Å; E472-L476 WeakPolarHBondContact O-CG 2.82Å; E472-L476 PolarHBondContact O-N 2.82Å; A473-L476 PolarHBondContact O-N 2.79Å; V474-L476 VanDerWaalsContact C-N 3.26Å; V474-L476 PolarHBondContact O-N 3.07Å
477	S	96.5	Very high	93.9	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-91.6	169.3	-179.5	72.6	0	0	0	0	113.5	L312 A473 V474 A479 A480	L312-S477 CarbonylContact O-C 3.49Å; L312-S477 WeakPolarHBondContact O-CA 3.04Å; L312-S477 WeakPolarHBondContact O-CB 3.39Å; A473-S477 VanDerWaalsContact O-CB 3.24Å; A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 3.05Å; A473-S477 VanDerWaalsContact O-N 3.1Å; V474-S477 WeakPolarHBondContact O-CB 3.05Å; V474-S477 PolarHBondContact O-N 3.44Å; V474-S477 VanDerWaalsContact O-N 3.09Å; V474-S477 PolarHBondContact O-OG 2.88Å; S477-A479 PolarHBondContact O-N 2.87Å; S477-A479 PolarHBondContact OG-N 3.35Å; S477-A480 WeakPolarHBondContact O-CB 3.06Å; S477-A480 PolarHBondContact O-N 2.64Å
478	T	93.4	Very high	94	Very high	46 Å²	46	40.2 Å²	40.2	28%	0.282	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.1	169	57.1	0	0	0	0	112.9	Q311 L312 M313	Q311-T478 HydrophobicContact CB-CG2 4.45Å; L312-T478 PolarHBondContact O-N 2.94Å; M313-T478 HydrophobicContact CE-CG2 4.22Å
479	A	92.6	Very high	94.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.7	-179.6	0	0	0	0	0	113.9	L314 Y319 M323 S477 D481 H482 A483	L314-A479 HydrophobicContact CD1-CB 3.84Å; Y319-A479 HydrophobicContact CD2-CB 3.73Å; Y319-A479 HydrophobicContact CE2-CB 3.58Å; M323-A479 HydrophobicContact CE-CB 4.45Å; S477-A479 PolarHBondContact O-N 2.87Å; S477-A479 PolarHBondContact OG-N 3.35Å; A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 2.69Å; A479-H482 WeakPolarHBondContact O-CB 3.36Å; A479-H482 PolarHBondContact O-N 3.26Å; A479-A483 PolarHBondContact O-N 2.73Å
480	A	93	Very high	94.2	Very high	21 Å²	21	35.6 Å²	35.6	17%	0.174	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-43.8	-175.5	0	0	0	0	0	112.5	R475 S477 H482 A483	R475-A480 WeakPolarHBondContact O-CB 3.46Å; S477-A480 WeakPolarHBondContact O-CB 3.06Å; S477-A480 PolarHBondContact O-N 2.64Å; A480-H482 VanDerWaalsContact C-N 3.25Å; A480-H482 PolarHBondContact O-N 2.67Å; A480-A483 PolarHBondContact O-N 2.87Å
481	D	88.8	Confident	94.1	Very high	155 Å²	155	37.6 Å²	37.6	83%	0.829	20%	0.204	S	C	*	.	H	α-helix	trans	-68.8	-25.2	-179.8	-66.1	-31.5	0	0	0	112.6	A479	A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 2.69Å
482	H	89.2	Confident	93.9	Very high	27 Å²	27	43.3 Å²	43.3	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-83.5	-36	-179.6	-50.6	170	0	0	0	111.3	Y105 C118 Y319 M323 A479 A480 G484	Y105-H482 HydrophobicContact CD1-CB 3.85Å; Y105-H482 HydrophobicContact CD2-CB 4.49Å; Y105-H482 HydrophobicContact CE1-CB 4.33Å; Y105-H482 HydrophobicContact CG-CB 3.95Å; Y105-H482 AromaticContact CG-CG 3.81Å; C118-H482 PolarHBondContact SG-CE1 2.94Å; Y319-H482 AromaticContact CE2-ND1 3.97Å; Y319-H482 PolarHBondContact OH-ND1 3.44Å; M323-H482 HydrophobicContact CE-CB 3.25Å; M323-H482 HydrophobicContact SD-CB 4.26Å; A479-H482 WeakPolarHBondContact O-CB 3.36Å; A479-H482 PolarHBondContact O-N 3.26Å; A480-H482 VanDerWaalsContact C-N 3.25Å; A480-H482 PolarHBondContact O-N 2.67Å; H482-G484 VanDerWaalsContact C-N 3.33Å; H482-G484 PolarHBondContact O-N 3.05Å
483	A	90.2	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-34.4	-176.5	0	0	0	0	0	112.5	L322 V474 A479 A480 A485 R486 I487	L322-A483 HydrophobicContact CD2-CB 4.22Å; V474-A483 HydrophobicContact CG1-CB 3.59Å; A479-A483 PolarHBondContact O-N 2.73Å; A480-A483 PolarHBondContact O-N 2.87Å; A483-A485 PolarHBondContact O-N 2.91Å; A483-R486 WeakPolarHBondContact O-CB 3.36Å; A483-R486 WeakPolarHBondContact O-CD 3.24Å; A483-R486 VanDerWaalsContact O-CG 3.23Å; A483-R486 WeakPolarHBondContact O-CG 3.47Å; A483-R486 PolarHBondContact O-N 3.39Å; A483-R486 VanDerWaalsContact O-N 3.09Å; A483-R486 PolarHBondContact O-NH1 3.36Å; A483-I487 HydrophobicContact CB-CD1 4.08Å; A483-I487 HydrophobicContact CB-CG1 3.73Å
484	G	89.8	Confident	93.6	Very high	42 Å²	42	41.8 Å²	41.8	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	-127.5	175.4	0	0	0	0	0	112.9	H482 R486 I487	H482-G484 VanDerWaalsContact C-N 3.33Å; H482-G484 PolarHBondContact O-N 3.05Å; G484-R486 PolarHBondContact O-N 3.19Å; G484-R486 VanDerWaalsContact O-N 3.08Å; G484-I487 PolarHBondContact O-N 2.96Å
485	A	92.1	Very high	93.2	Very high	45 Å²	45	43.6 Å²	43.6	37%	0.372	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.2	-178.8	0	0	0	0	0	114.4	A483 I487 D488 N489	A483-A485 PolarHBondContact O-N 2.91Å; A485-I487 PolarHBondContact O-N 2.88Å; A485-D488 PolarHBondContact O-N 3.24Å; A485-N489 PolarHBondContact O-N 3.48Å; A485-N489 PolarHBondContact O-ND2 3.34Å
486	R	94.6	Very high	92.9	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-28.3	179.4	-60.1	168.6	179	80.8	-2.2	112.4	L322 M323 L325 E327 A483 G484 N489 L490	L322-R486 HydrophobicContact CD1-CB 4.5Å; L322-R486 VanDerWaalsContact O-CD 3.26Å; L322-R486 WeakPolarHBondContact O-CD 3.46Å; M323-R486 PolarHBondContact O-NH2 3.22Å; L325-R486 HydrophobicContact CB-CG 4.33Å; L325-R486 PolarHBondContact O-NE 2.95Å; L325-R486 PolarHBondContact O-NH2 3.48Å; E327-R486 IonicContact OE1-CZ 3.7Å; E327-R486 IonicContact OE1-NH1 3.07Å; E327-R486 PolarHBondContact OE1-NH1 2.81Å; E327-R486 IonicContact OE1-NH2 2.74Å; A483-R486 WeakPolarHBondContact O-CB 3.36Å; A483-R486 WeakPolarHBondContact O-CD 3.24Å; A483-R486 VanDerWaalsContact O-CG 3.23Å; A483-R486 WeakPolarHBondContact O-CG 3.47Å; A483-R486 PolarHBondContact O-N 3.39Å; A483-R486 VanDerWaalsContact O-N 3.09Å; A483-R486 PolarHBondContact O-NH1 3.36Å; G484-R486 PolarHBondContact O-N 3.19Å; G484-R486 VanDerWaalsContact O-N 3.08Å; R486-N489 PolarHBondContact O-N 3.14Å; R486-L490 WeakPolarHBondContact O-CB 3.47Å; R486-L490 WeakPolarHBondContact O-CG 3.29Å; R486-L490 PolarHBondContact O-N 3.32Å
487	I	95.4	Very high	92.7	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-51.9	178.5	-56.6	-178.8	0	0	0	110.3	F471 V474 R475 A483 G484 A485 N489 L490 E491	F471-I487 HydrophobicContact CB-CG2 4.49Å; V474-I487 HydrophobicContact CG1-CD1 4.09Å; V474-I487 HydrophobicContact CG1-CG1 3.83Å; R475-I487 HydrophobicContact CB-CG2 4.36Å; A483-I487 HydrophobicContact CB-CD1 4.08Å; A483-I487 HydrophobicContact CB-CG1 3.73Å; G484-I487 PolarHBondContact O-N 2.96Å; A485-I487 PolarHBondContact O-N 2.88Å; I487-N489 VanDerWaalsContact C-N 3.26Å; I487-N489 PolarHBondContact O-N 3.23Å; I487-L490 WeakPolarHBondContact O-CB 3.36Å; I487-L490 PolarHBondContact O-N 2.96Å; I487-E491 PolarHBondContact O-N 3.32Å
488	D	93.7	Very high	92.3	Very high	90 Å²	90	37.8 Å²	37.8	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-34.9	178	-68.5	-16.6	0	0	0	111.8	A485 R492	A485-D488 PolarHBondContact O-N 3.24Å; D488-R492 WeakPolarHBondContact O-CG 3.5Å; D488-R492 PolarHBondContact O-N 3.48Å; D488-R492 VanDerWaalsContact O-N 3.12Å
489	N	96.1	Very high	92	Very high	9 Å²	9	39 Å²	39	5%	0.048	21%	0.205	C	C	.	.	H	α-helix	trans	-70	-39.4	176	-73.5	-20.7	0	0	0	112.2	E327 Y329 Y334 A485 R486 I487 E491 R492 A493	E327-N489 PolarHBondContact O-ND2 3.06Å; Y329-N489 HydrophobicContact CD2-CB 3.86Å; Y329-N489 WeakPolarHBondContact CE2-O 3.35Å; Y334-N489 HydrophobicContact CD1-CB 4.21Å; Y334-N489 HydrophobicContact CE1-CB 3.34Å; Y334-N489 HydrophobicContact CE2-CB 4.26Å; Y334-N489 VanDerWaalsContact OH-CB 3.25Å; Y334-N489 WeakPolarHBondContact OH-CB 3.35Å; Y334-N489 PolarHBondContact OH-ND2 2.85Å; Y334-N489 VanDerWaalsContact OH-ND2 3.12Å; A485-N489 PolarHBondContact O-N 3.48Å; A485-N489 PolarHBondContact O-ND2 3.34Å; R486-N489 PolarHBondContact O-N 3.14Å; I487-N489 VanDerWaalsContact C-N 3.26Å; I487-N489 PolarHBondContact O-N 3.23Å; N489-E491 VanDerWaalsContact C-N 3.31Å; N489-R492 PolarHBondContact O-N 3.29Å; N489-A493 VanDerWaalsContact O-CB 3.3Å; N489-A493 WeakPolarHBondContact O-CB 3.46Å; N489-A493 PolarHBondContact O-N 2.63Å
490	L	96.5	Very high	91.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-42.2	173.8	-84.2	168.4	0	0	0	110.9	L322 L325 Y334 F337 L338 F471 V474 R486 I487 R492 A493 I494	L322-L490 HydrophobicContact CD1-CD1 3.74Å; L325-L490 HydrophobicContact CD1-CD1 4.42Å; L325-L490 HydrophobicContact CD1-CD2 3.97Å; L325-L490 HydrophobicContact CD1-CG 4.17Å; Y334-L490 HydrophobicContact CD1-CD2 3.84Å; Y334-L490 HydrophobicContact CD1-CG 3.98Å; Y334-L490 HydrophobicContact CE1-CD2 4.26Å; Y334-L490 HydrophobicContact CE1-CG 3.92Å; F337-L490 HydrophobicContact CD1-CD2 3.64Å; F337-L490 HydrophobicContact CE1-CD1 4.48Å; F337-L490 HydrophobicContact CE1-CD2 3.68Å; L338-L490 HydrophobicContact CD2-CD2 4.35Å; F471-L490 HydrophobicContact CB-CB 3.84Å; V474-L490 HydrophobicContact CG2-CD1 4.09Å; R486-L490 WeakPolarHBondContact O-CB 3.47Å; R486-L490 WeakPolarHBondContact O-CG 3.29Å; R486-L490 PolarHBondContact O-N 3.32Å; I487-L490 WeakPolarHBondContact O-CB 3.36Å; I487-L490 PolarHBondContact O-N 2.96Å; L490-R492 PolarHBondContact O-N 3.43Å; L490-A493 PolarHBondContact O-N 3.34Å; L490-I494 WeakPolarHBondContact O-CG1 3.23Å; L490-I494 PolarHBondContact O-N 3.02Å
491	E	93.9	Very high	91.4	Very high	41 Å²	41	39 Å²	39	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-49.1	174.2	171.6	163	-128.2	0	0	111.9	F471 I487 N489 A493 I494 E495 R589	F471-E491 HydrophobicContact CD1-CB 3.82Å; F471-E491 HydrophobicContact CD1-CG 4.37Å; F471-E491 HydrophobicContact CD2-CB 4.29Å; F471-E491 HydrophobicContact CE1-CB 3.9Å; F471-E491 HydrophobicContact CE1-CG 3.94Å; F471-E491 HydrophobicContact CE2-CB 4.36Å; F471-E491 HydrophobicContact CG-CB 4.04Å; F471-E491 HydrophobicContact CZ-CB 4.19Å; F471-E491 HydrophobicContact CZ-CG 4.03Å; F471-E491 WeakPolarHBondContact CZ-OE1 3.49Å; I487-E491 PolarHBondContact O-N 3.32Å; N489-E491 VanDerWaalsContact C-N 3.31Å; E491-A493 VanDerWaalsContact C-N 3.31Å; E491-A493 PolarHBondContact O-N 2.96Å; E491-I494 PolarHBondContact O-N 3.37Å; E491-E495 PolarHBondContact O-N 3.42Å; E491-R589 IonicContact OE1-CZ 3.3Å; E491-R589 IonicContact OE1-NH1 2.71Å; E491-R589 PolarHBondContact OE1-NH1 2.92Å; E491-R589 IonicContact OE1-NH2 2.72Å; E491-R589 PolarHBondContact OE1-NH2 2.93Å; E491-R589 IonicContact OE2-NH2 3.32Å
492	R	92.5	Very high	91.2	Very high	139 Å²	139	33 Å²	33	53%	0.525	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-42.2	175.8	-68.2	171.5	-157.8	-176.9	7.2	111.7	Y329 D488 N489 L490 I494 E495 E496	Y329-R492 HydrophobicContact CE2-CB 3.9Å; D488-R492 WeakPolarHBondContact O-CG 3.5Å; D488-R492 PolarHBondContact O-N 3.48Å; D488-R492 VanDerWaalsContact O-N 3.12Å; N489-R492 PolarHBondContact O-N 3.29Å; L490-R492 PolarHBondContact O-N 3.43Å; R492-I494 PolarHBondContact O-N 3.19Å; R492-E495 PolarHBondContact O-N 2.94Å; R492-E496 PolarHBondContact O-N 2.91Å
493	A	94.8	Very high	91.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-40.3	-179.4	0	0	0	0	0	112.2	Y329 Y334 L338 N489 L490 E491 E496 Y497	Y329-A493 HydrophobicContact CE2-CB 4.06Å; Y329-A493 WeakPolarHBondContact OH-CA 3.33Å; Y334-A493 VanDerWaalsContact CB-CB 3.47Å; Y334-A493 HydrophobicContact CD1-CB 4Å; Y334-A493 HydrophobicContact CG-CB 4.08Å; L338-A493 HydrophobicContact CD1-CB 4Å; N489-A493 VanDerWaalsContact O-CB 3.3Å; N489-A493 WeakPolarHBondContact O-CB 3.46Å; N489-A493 PolarHBondContact O-N 2.63Å; L490-A493 PolarHBondContact O-N 3.34Å; E491-A493 VanDerWaalsContact C-N 3.31Å; E491-A493 PolarHBondContact O-N 2.96Å; A493-E496 PolarHBondContact O-N 2.82Å; A493-Y497 WeakPolarHBondContact O-CB 3.24Å; A493-Y497 PolarHBondContact O-N 2.76Å
494	I	92.6	Very high	90.9	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.046	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-45.1	176.4	-68.7	170.6	0	0	0	110.4	L338 P469 I470 F471 L490 E491 R492 E496 Y497 L498	L338-I494 HydrophobicContact CD1-CB 4.36Å; L338-I494 HydrophobicContact CD1-CG1 3.68Å; L338-I494 HydrophobicContact CD2-CD1 4.14Å; L338-I494 HydrophobicContact CD2-CG1 3.55Å; L338-I494 HydrophobicContact CG-CG1 4.28Å; P469-I494 HydrophobicContact CB-CD1 4.36Å; I470-I494 HydrophobicContact CG2-CD1 3.72Å; F471-I494 HydrophobicContact CD1-CD1 3.54Å; F471-I494 HydrophobicContact CE1-CD1 4.15Å; L490-I494 WeakPolarHBondContact O-CG1 3.23Å; L490-I494 PolarHBondContact O-N 3.02Å; E491-I494 PolarHBondContact O-N 3.37Å; R492-I494 PolarHBondContact O-N 3.19Å; I494-E496 VanDerWaalsContact C-N 3.27Å; I494-E496 PolarHBondContact O-N 2.63Å; I494-Y497 PolarHBondContact O-N 3.35Å; I494-L498 HydrophobicContact CG2-CD1 3.85Å; I494-L498 HydrophobicContact CG2-CG 4.18Å; I494-L498 WeakPolarHBondContact O-CB 3.08Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.32Å; I494-L498 PolarHBondContact O-N 3.07Å
495	E	88.2	Confident	90.9	Very high	37 Å²	37	33.9 Å²	33.9	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-35.9	178.2	-69.7	-170.1	177.8	0	0	112.6	E491 R492 R499 W555 R589	E491-E495 PolarHBondContact O-N 3.42Å; R492-E495 PolarHBondContact O-N 2.94Å; E495-R499 WeakPolarHBondContact O-CB 3.31Å; E495-W555 PolarHBondContact OE2-NE1 3.12Å; E495-R589 IonicContact OE1-CZ 3.31Å; E495-R589 IonicContact OE1-NH1 2.78Å; E495-R589 PolarHBondContact OE1-NH1 2.73Å
496	E	91	Very high	90.8	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.238	14%	0.144	C	C	.	.	H	α-helix	trans	-75.8	-41.6	176.4	-169.1	171.7	173.5	0	0	111.8	H71 Y329 F331 R492 A493 I494 R499 E500	H71-E496 IonicContact CE1-OE1 3.18Å; H71-E496 PolarHBondContact CE1-OE1 2.88Å; H71-E496 VanDerWaalsContact CE1-OE1 3.3Å; Y329-E496 PolarHBondContact OH-OE2 3.47Å; F331-E496 HydrophobicContact CD1-CG 4.5Å; F331-E496 HydrophobicContact CD2-CB 3.81Å; F331-E496 HydrophobicContact CD2-CG 3.62Å; F331-E496 HydrophobicContact CE1-CG 4.38Å; F331-E496 HydrophobicContact CE2-CB 3.57Å; F331-E496 HydrophobicContact CE2-CG 3.5Å; F331-E496 VanDerWaalsContact CE2-CG 3.5Å; F331-E496 HydrophobicContact CG-CG 4.14Å; F331-E496 WeakPolarHBondContact CG-OE1 3.5Å; F331-E496 HydrophobicContact CZ-CB 4.35Å; F331-E496 HydrophobicContact CZ-CG 3.89Å; R492-E496 PolarHBondContact O-N 2.91Å; A493-E496 PolarHBondContact O-N 2.82Å; I494-E496 VanDerWaalsContact C-N 3.27Å; I494-E496 PolarHBondContact O-N 2.63Å; E496-R499 PolarHBondContact O-N 3.04Å; E496-E500 WeakPolarHBondContact O-CB 3.31Å; E496-E500 PolarHBondContact O-N 2.59Å
497	Y	90.9	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-51.4	178.9	-176.6	-86.8	0	0	0	111.4	N167 L169 L338 T343 A493 I494 R499 E500 F501	N167-Y497 PolarHBondContact ND2-OH 3.44Å; L169-Y497 HydrophobicContact CD1-CD1 4.16Å; L169-Y497 HydrophobicContact CD1-CE1 3.86Å; L338-Y497 HydrophobicContact CB-CD2 4.24Å; L338-Y497 HydrophobicContact CB-CE2 4.41Å; L338-Y497 HydrophobicContact CB-CG 4.46Å; L338-Y497 HydrophobicContact CD1-CD2 4.33Å; L338-Y497 HydrophobicContact CD1-CG 4.08Å; T343-Y497 HydrophobicContact CG2-CD1 3.83Å; T343-Y497 HydrophobicContact CG2-CE1 3.98Å; A493-Y497 WeakPolarHBondContact O-CB 3.24Å; A493-Y497 PolarHBondContact O-N 2.76Å; I494-Y497 PolarHBondContact O-N 3.35Å; Y497-R499 PolarHBondContact O-N 3.19Å; Y497-E500 PolarHBondContact O-N 2.97Å; Y497-F501 HydrophobicContact CD1-CD2 4.21Å; Y497-F501 AromaticContact CD2-CD2 3.73Å; Y497-F501 HydrophobicContact CD2-CD2 3.73Å; Y497-F501 AromaticContact CD2-CE2 3.71Å; Y497-F501 HydrophobicContact CD2-CE2 3.71Å; Y497-F501 HydrophobicContact CE1-CD2 4.14Å; Y497-F501 AromaticContact CE2-CD2 3.66Å; Y497-F501 HydrophobicContact CE2-CD2 3.66Å; Y497-F501 AromaticContact CE2-CE2 3.66Å; Y497-F501 HydrophobicContact CE2-CE2 3.66Å; Y497-F501 HydrophobicContact CG-CD2 4Å; Y497-F501 HydrophobicContact CG-CE2 4.39Å; Y497-F501 AromaticContact CZ-CD2 3.85Å; Y497-F501 VanDerWaalsContact O-CD2 3.32Å; Y497-F501 WeakPolarHBondContact O-CD2 3.45Å; Y497-F501 PolarHBondContact O-N 3.05Å; Y497-F501 VanDerWaalsContact O-N 3.08Å
498	L	88	Confident	90.4	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.199	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-37.1	178.2	-68.8	177.8	0	0	0	111	L168 L169 T343 I494 D502	L168-L498 HydrophobicContact CB-CD2 4.27Å; L168-L498 HydrophobicContact CD2-CD1 4.37Å; L168-L498 HydrophobicContact CD2-CD2 4.35Å; L169-L498 HydrophobicContact CD1-CD2 4.18Å; L169-L498 HydrophobicContact CD2-CD2 3.92Å; L169-L498 HydrophobicContact CG-CD2 3.71Å; T343-L498 HydrophobicContact CG2-CD2 4.18Å; I494-L498 HydrophobicContact CG2-CD1 3.85Å; I494-L498 HydrophobicContact CG2-CG 4.18Å; I494-L498 WeakPolarHBondContact O-CB 3.08Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.32Å; I494-L498 PolarHBondContact O-N 3.07Å; L498-D502 VanDerWaalsContact O-CB 3.24Å; L498-D502 WeakPolarHBondContact O-CB 3.35Å; L498-D502 PolarHBondContact O-N 2.89Å; L498-D502 VanDerWaalsContact O-N 3.08Å
499	R	87.4	Confident	90.1	Very high	71 Å²	71	29.3 Å²	29.3	27%	0.268	14%	0.139	S	C	.	.	H	α-helix	trans	-73.9	-41.5	178.1	-167.5	-172.1	-42.4	163.2	14.5	113	E495 E496 Y497 F501 R505	E495-R499 WeakPolarHBondContact O-CB 3.31Å; E496-R499 PolarHBondContact O-N 3.04Å; Y497-R499 PolarHBondContact O-N 3.19Å; R499-F501 VanDerWaalsContact C-N 3.3Å; R499-F501 PolarHBondContact O-N 3.27Å; R499-R505 WeakPolarHBondContact O-CD 3.29Å
500	E	87.2	Confident	89.7	Confident	17 Å²	17	34.2 Å²	34.2	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-39.5	-177.6	-176.9	63	-151.8	0	0	110.8	F69 H71 L72 F331 E496 Y497 R505 R517	F69-E500 HydrophobicContact CZ-CG 4.48Å; H71-E500 IonicContact ND1-OE2 2.7Å; H71-E500 PolarHBondContact ND1-OE2 3.11Å; L72-E500 PolarHBondContact N-OE1 2.89Å; F331-E500 HydrophobicContact CE1-CG 4.35Å; F331-E500 HydrophobicContact CZ-CB 4.18Å; F331-E500 HydrophobicContact CZ-CG 4.46Å; E496-E500 WeakPolarHBondContact O-CB 3.31Å; E496-E500 PolarHBondContact O-N 2.59Å; Y497-E500 PolarHBondContact O-N 2.97Å; E500-R505 VanDerWaalsContact O-CD 3.28Å; E500-R505 WeakPolarHBondContact O-CD 3.36Å; E500-R505 PolarHBondContact O-NH1 3.05Å; E500-R505 IonicContact OE1-NH1 2.88Å; E500-R505 PolarHBondContact OE1-NH1 3.48Å; E500-R505 IonicContact OE2-NH1 3.04Å; E500-R505 PolarHBondContact OE2-NH1 2.95Å; E500-R517 PolarHBondContact O-NH1 3.38Å; E500-R517 PolarHBondContact O-NH2 3.38Å
501	F	86.1	Confident	89.2	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.022	16%	0.162	C	C	.	.	H	α-helix	trans	-104.1	1	-173.4	-62.5	-69.5	0	0	0	115	L87 W88 L169 V267 Y497 R499 R517	L87-F501 HydrophobicContact CD1-CE1 3.69Å; L87-F501 HydrophobicContact CD1-CZ 4.04Å; W88-F501 AromaticContact CH2-CE1 3.92Å; W88-F501 HydrophobicContact CH2-CE1 3.92Å; W88-F501 HydrophobicContact CH2-CE2 4.1Å; W88-F501 AromaticContact CH2-CZ 3.32Å; W88-F501 HydrophobicContact CH2-CZ 3.32Å; W88-F501 HydrophobicContact CZ2-CE2 4.26Å; W88-F501 AromaticContact CZ2-CZ 3.83Å; W88-F501 HydrophobicContact CZ2-CZ 3.83Å; W88-F501 HydrophobicContact CZ3-CZ 4.38Å; L169-F501 HydrophobicContact CD1-CB 3.34Å; V267-F501 HydrophobicContact CG2-CB 4.35Å; Y497-F501 HydrophobicContact CD1-CD2 4.21Å; Y497-F501 AromaticContact CD2-CD2 3.73Å; Y497-F501 HydrophobicContact CD2-CD2 3.73Å; Y497-F501 AromaticContact CD2-CE2 3.71Å; Y497-F501 HydrophobicContact CD2-CE2 3.71Å; Y497-F501 HydrophobicContact CE1-CD2 4.14Å; Y497-F501 AromaticContact CE2-CD2 3.66Å; Y497-F501 HydrophobicContact CE2-CD2 3.66Å; Y497-F501 AromaticContact CE2-CE2 3.66Å; Y497-F501 HydrophobicContact CE2-CE2 3.66Å; Y497-F501 HydrophobicContact CG-CD2 4Å; Y497-F501 HydrophobicContact CG-CE2 4.39Å; Y497-F501 AromaticContact CZ-CD2 3.85Å; Y497-F501 VanDerWaalsContact O-CD2 3.32Å; Y497-F501 WeakPolarHBondContact O-CD2 3.45Å; Y497-F501 PolarHBondContact O-N 3.05Å; Y497-F501 VanDerWaalsContact O-N 3.08Å; R499-F501 VanDerWaalsContact C-N 3.3Å; R499-F501 PolarHBondContact O-N 3.27Å; F501-R517 VanDerWaalsContact C-NH1 3.34Å; F501-R517 WeakPolarHBondContact O-CD 3.48Å
502	D	85.3	Confident	88.7	Confident	29 Å²	29	35 Å²	35	16%	0.155	16%	0.162	C	C	.	.			trans	-59.5	151.2	175.3	-155.8	-74.2	0	0	0	112.6	L498 C504 R505 R517	L498-D502 VanDerWaalsContact O-CB 3.24Å; L498-D502 WeakPolarHBondContact O-CB 3.35Å; L498-D502 PolarHBondContact O-N 2.89Å; L498-D502 VanDerWaalsContact O-N 3.08Å; D502-C504 VanDerWaalsContact C-N 3.26Å; D502-C504 HydrophobicContact CB-CB 4.47Å; D502-C504 WeakPolarHBondContact CB-SG 3.43Å; D502-C504 VanDerWaalsContact CG-SG 3.54Å; D502-C504 PolarHBondContact O-N 2.82Å; D502-C504 VanDerWaalsContact OD1-CB 3.23Å; D502-C504 WeakPolarHBondContact OD1-CB 3.32Å; D502-C504 PolarHBondContact OD1-N 3.4Å; D502-C504 PolarHBondContact OD1-SG 3.22Å; D502-R505 PolarHBondContact O-N 2.9Å; D502-R517 PolarHBondContact O-NH1 3.16Å
503	T	86	Confident	88.3	Confident	8 Å²	8	28.9 Å²	28.9	5%	0.049	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-72.2	-19.1	174.5	56.5	0	0	0	0	112.9	I264 A265 R505 C506 R517	I264-T503 WeakPolarHBondContact O-CG2 3.47Å; A265-T503 HydrophobicContact CB-CG2 3.94Å; T503-R505 PolarHBondContact O-N 2.88Å; T503-C506 VanDerWaalsContact O-CB 3.27Å; T503-C506 WeakPolarHBondContact O-CB 3.49Å; T503-C506 PolarHBondContact O-N 3.49Å; T503-R517 HydrophobicContact CG2-CB 4.14Å
504	C	87.4	Confident	87.8	Confident	15 Å²	15	29.1 Å²	29.1	10%	0.101	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-58.8	-17.7	174.5	72.8	0	0	0	0	113.4	D502 C506 C551 N571	D502-C504 VanDerWaalsContact C-N 3.26Å; D502-C504 HydrophobicContact CB-CB 4.47Å; D502-C504 WeakPolarHBondContact CB-SG 3.43Å; D502-C504 VanDerWaalsContact CG-SG 3.54Å; D502-C504 PolarHBondContact O-N 2.82Å; D502-C504 VanDerWaalsContact OD1-CB 3.23Å; D502-C504 WeakPolarHBondContact OD1-CB 3.32Å; D502-C504 PolarHBondContact OD1-N 3.4Å; D502-C504 PolarHBondContact OD1-SG 3.22Å; C504-C506 VanDerWaalsContact C-N 3.32Å; C504-C551 HydrophobicContact CB-CB 4.07Å; C504-C551 WeakPolarHBondContact CB-SG 3.02Å; C504-C551 PolarHBondContact O-SG 3.35Å; C504-C551 WeakPolarHBondContact SG-CA 3.09Å; C504-C551 WeakPolarHBondContact SG-CB 3.35Å; C504-C551 CovalentContact SG-SG 2.03Å; C504-C551 PolarHBondContact SG-SG 2.89Å; C504-N571 PolarHBondContact O-ND2 3.14Å
505	R	89.3	Confident	87.5	Confident	64 Å²	64	29.9 Å²	29.9	24%	0.242	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-80.7	-14	176.2	-61.9	-164.8	71.1	-173.2	3.5	113.4	L72 E73 R499 E500 D502 T503 C551	L72-R505 PolarHBondContact O-NH1 3.01Å; L72-R505 PolarHBondContact O-NH2 3.02Å; E73-R505 PolarHBondContact O-NH2 2.91Å; E73-R505 VanDerWaalsContact O-NH2 3.08Å; R499-R505 WeakPolarHBondContact O-CD 3.29Å; E500-R505 VanDerWaalsContact O-CD 3.28Å; E500-R505 WeakPolarHBondContact O-CD 3.36Å; E500-R505 PolarHBondContact O-NH1 3.05Å; E500-R505 IonicContact OE1-NH1 2.88Å; E500-R505 PolarHBondContact OE1-NH1 3.48Å; E500-R505 IonicContact OE2-NH1 3.04Å; E500-R505 PolarHBondContact OE2-NH1 2.95Å; D502-R505 PolarHBondContact O-N 2.9Å; T503-R505 PolarHBondContact O-N 2.88Å; R505-C551 VanDerWaalsContact CG-SG 3.52Å; R505-C551 PolarHBondContact N-SG 2.82Å; R505-C551 VanDerWaalsContact N-SG 3.44Å
506	C	90.7	Very high	87.2	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.02	14%	0.143	C	C	.	.	S	Bend	trans	-69.9	143.2	166.6	-57.4	0	0	0	0	109.1	T503 C504 P515 C522 N571	T503-C506 VanDerWaalsContact O-CB 3.27Å; T503-C506 WeakPolarHBondContact O-CB 3.49Å; T503-C506 PolarHBondContact O-N 3.49Å; C504-C506 VanDerWaalsContact C-N 3.32Å; C506-P515 HydrophobicContact CB-CB 4.36Å; C506-C522 WeakPolarHBondContact CA-SG 3.42Å; C506-C522 HydrophobicContact CB-CB 3.65Å; C506-C522 WeakPolarHBondContact CB-SG 3.4Å; C506-C522 WeakPolarHBondContact SG-CB 3.13Å; C506-C522 CovalentContact SG-SG 2.04Å; C506-C522 PolarHBondContact SG-SG 2.94Å; C506-N571 PolarHBondContact O-ND2 3.33Å; C506-N571 PolarHBondContact O-OD1 3.14Å
507	A	91.1	Very high	86.9	Confident	24 Å²	24	26.2 Å²	26.2	20%	0.198	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-61.6	150.7	166.7	0	0	0	0	0	109.7	I46 Q77 F78 C509	I46-A507 HydrophobicContact CD1-CB 3.8Å; Q77-A507 PolarHBondContact NE2-O 2.8Å; F78-A507 HydrophobicContact CE2-CB 3.73Å; F78-A507 HydrophobicContact CZ-CB 4.01Å; A507-C509 PolarHBondContact O-N 2.77Å
508	P	89.1	Confident	86.5	Confident	51 Å²	51	28.1 Å²	28.1	33%	0.331	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-69.4	136.6	-168.7	25.8	-31.5	0	0	0	111.5	N571 P572	P508-N571 WeakPolarHBondContact CB-OD1 3.41Å; P508-N571 WeakPolarHBondContact CD-OD1 3.27Å; P508-P572 HydrophobicContact CB-CB 3.7Å; P508-P572 HydrophobicContact CB-CG 4.15Å; P508-P572 HydrophobicContact CG-CB 4.39Å
509	C	88.3	Confident	86.2	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.034	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-77	135.5	165.2	-54.7	0	0	0	0	108.7	A507 G513 C524	A507-C509 PolarHBondContact O-N 2.77Å; C509-G513 VanDerWaalsContact CB-O 3.32Å; C509-G513 WeakPolarHBondContact CB-O 3.5Å; C509-C524 VanDerWaalsContact CA-SG 3.53Å; C509-C524 HydrophobicContact CB-CB 3.75Å; C509-C524 WeakPolarHBondContact CB-SG 3.16Å; C509-C524 VanDerWaalsContact SG-CA 3.52Å; C509-C524 WeakPolarHBondContact SG-CB 3.4Å; C509-C524 CovalentContact SG-SG 2.03Å; C509-C524 PolarHBondContact SG-SG 3.27Å
510	R	86.9	Confident	86.1	Confident	112 Å²	112	25 Å²	25	42%	0.423	14%	0.138	S	C	.	.	S	Bend	trans	-78.4	160.8	-179.7	-61.6	-167.3	176.8	-169.7	-1.6	111	N512 G513 A534	R510-N512 VanDerWaalsContact C-N 3.3Å; R510-N512 PolarHBondContact O-N 2.78Å; R510-G513 PolarHBondContact O-N 3.09Å; R510-A534 WeakPolarHBondContact CB-O 3.31Å; R510-A534 PolarHBondContact N-O 2.94Å
511	H	86.4	Confident	86.2	Confident	23 Å²	23	25.7 Å²	25.7	11%	0.106	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	43.3	170	-47.7	118.6	0	0	0	114.3	G513 F530 C535 T545	H511-G513 VanDerWaalsContact C-N 3.28Å; H511-G513 PolarHBondContact O-N 3.4Å; H511-F530 HydrophobicContact CB-CD1 3.45Å; H511-F530 VanDerWaalsContact CB-CD1 3.45Å; H511-F530 HydrophobicContact CB-CE1 3.33Å; H511-F530 HydrophobicContact CB-CE2 4.41Å; H511-F530 HydrophobicContact CB-CG 4.06Å; H511-F530 HydrophobicContact CB-CZ 3.85Å; H511-F530 AromaticContact CD2-CE1 3.64Å; H511-F530 AromaticContact CE1-CE1 3.98Å; H511-F530 AromaticContact CG-CD1 3.41Å; H511-F530 VanDerWaalsContact CG-CD1 3.41Å; H511-F530 AromaticContact CG-CE1 3.2Å; H511-F530 AromaticContact ND1-CD1 3.27Å; H511-F530 VanDerWaalsContact ND1-CD1 3.27Å; H511-F530 WeakPolarHBondContact ND1-CD1 3.49Å; H511-F530 AromaticContact ND1-CE1 3.48Å; H511-F530 WeakPolarHBondContact ND1-CE1 3.05Å; H511-C535 PolarHBondContact ND1-O 2.77Å; H511-T545 PolarHBondContact N-OG1 2.79Å
512	N	83.1	Confident	86.4	Confident	34 Å²	34	25.9 Å²	25.9	18%	0.182	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	28.7	-178.1	-56.1	-8.3	0	0	0	114.3	Q244 R510 T545 D546	Q244-N512 PolarHBondContact NE2-O 3.36Å; R510-N512 VanDerWaalsContact C-N 3.3Å; R510-N512 PolarHBondContact O-N 2.78Å; N512-T545 WeakPolarHBondContact OD1-CA 3.4Å; N512-D546 PolarHBondContact ND2-OD2 3.36Å; N512-D546 WeakPolarHBondContact OD1-CB 3.47Å; N512-D546 PolarHBondContact OD1-N 2.82Å
513	G	84.6	Confident	86.6	Confident	11 Å²	11	27.2 Å²	27.2	11%	0.113	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.8	144.1	169.3	0	0	0	0	0	111.6	C509 R510 H511 I525	C509-G513 VanDerWaalsContact CB-O 3.32Å; C509-G513 WeakPolarHBondContact CB-O 3.5Å; R510-G513 PolarHBondContact O-N 3.09Å; H511-G513 VanDerWaalsContact C-N 3.28Å; H511-G513 PolarHBondContact O-N 3.4Å; G513-I525 CarbonylContact C-O 3.56Å; G513-I525 WeakPolarHBondContact CA-O 3.29Å
514	I	83.9	Confident	86.7	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.1	178.9	-60.3	175.4	0	0	0	108.8	Q244 L247 E248 I264 I525	Q244-I514 HydrophobicContact CB-CD1 4.46Å; Q244-I514 HydrophobicContact CG-CD1 3.85Å; Q244-I514 HydrophobicContact CG-CG1 4.27Å; L247-I514 HydrophobicContact CB-CD1 4.16Å; L247-I514 HydrophobicContact CD1-CD1 4.44Å; E248-I514 HydrophobicContact CG-CD1 4.45Å; I264-I514 HydrophobicContact CD1-CG2 4.46Å; I264-I514 HydrophobicContact CG1-CG2 4.43Å; I514-I525 HydrophobicContact CB-CB 4.25Å; I514-I525 PolarHBondContact N-O 3.09Å; I514-I525 PolarHBondContact O-N 3.35Å
515	P	86.1	Confident	86.5	Confident	26 Å²	26	26.8 Å²	26.8	17%	0.169	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.6	173.7	30.4	-33	0	0	0	110.5	V262 G263 I264 C506	V262-P515 WeakPolarHBondContact O-CD 3.45Å; G263-P515 WeakPolarHBondContact CA-O 3.3Å; I264-P515 PolarHBondContact N-O 3.35Å; C506-P515 HydrophobicContact CB-CB 4.36Å
516	V	83.2	Confident	86.3	Confident	7 Å²	7	25.2 Å²	25.2	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.9	174.8	-176.8	0	0	0	0	108.4	I264 F266 C522 S523 I525	I264-V516 HydrophobicContact CB-CG1 4.38Å; I264-V516 HydrophobicContact CB-CG2 4.3Å; I264-V516 HydrophobicContact CG2-CG1 4.4Å; I264-V516 CarbonylContact O-C 3.55Å; I264-V516 VanDerWaalsContact O-CA 3.26Å; I264-V516 WeakPolarHBondContact O-CA 3.45Å; F266-V516 HydrophobicContact CD2-CG1 3.89Å; F266-V516 HydrophobicContact CE2-CG1 3.53Å; V516-C522 CarbonylContact O-C 3.32Å; V516-C522 VanDerWaalsContact O-CA 3.25Å; V516-C522 WeakPolarHBondContact O-CA 3.14Å; V516-S523 PolarHBondContact N-O 2.76Å; V516-S523 PolarHBondContact O-N 2.72Å; V516-I525 HydrophobicContact CG2-CD1 3.41Å; V516-I525 VanDerWaalsContact CG2-CD1 3.41Å; V516-I525 HydrophobicContact CG2-CG1 3.78Å
517	R	84.3	Confident	85.9	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.7	173.8	-174.4	172.6	179.2	168.2	-7.8	109.2	I264 A265 F266 E500 F501 D502 T503 S521	I264-R517 PolarHBondContact O-N 3.13Å; A265-R517 CarbonylContact C-O 3.56Å; A265-R517 WeakPolarHBondContact CA-O 3.45Å; A265-R517 HydrophobicContact CB-CB 4.47Å; F266-R517 PolarHBondContact N-O 2.91Å; E500-R517 PolarHBondContact O-NH1 3.38Å; E500-R517 PolarHBondContact O-NH2 3.38Å; F501-R517 VanDerWaalsContact C-NH1 3.34Å; F501-R517 WeakPolarHBondContact O-CD 3.48Å; D502-R517 PolarHBondContact O-NH1 3.16Å; T503-R517 HydrophobicContact CG2-CB 4.14Å; R517-S521 CarbonylContact C-O 3.53Å; R517-S521 WeakPolarHBondContact CA-O 3.47Å
518	S	82.5	Confident	85.3	Confident	40 Å²	40	28.4 Å²	28.4	28%	0.28	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	101.2	174.2	-165.2	0	0	0	0	110	F266 T520 S521	F266-S518 WeakPolarHBondContact O-CA 3.46Å; S518-T520 PolarHBondContact O-N 3.39Å; S518-S521 PolarHBondContact N-O 2.79Å; S518-S521 PolarHBondContact O-N 2.88Å; S518-S521 PolarHBondContact O-OG 3.26Å
519	G	80.6	Confident	84.8	Confident	16 Å²	16	27 Å²	27	17%	0.165	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-103.1	-174.1	0	0	0	0	0	112.4	F266	F266-G519 PolarHBondContact O-N 3.19Å
520	T	86.3	Confident	84.6	Confident	26 Å²	26	27.3 Å²	27.3	16%	0.16	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.9	-178.2	64.9	0	0	0	0	114.4	L72 P75 A76 L87 S518	L72-T520 HydrophobicContact CD1-CG2 4.11Å; P75-T520 CarbonylContact C-O 3.53Å; P75-T520 VanDerWaalsContact CA-O 3.24Å; P75-T520 WeakPolarHBondContact CA-O 3.3Å; P75-T520 WeakPolarHBondContact CB-O 3.38Å; A76-T520 PolarHBondContact N-O 2.91Å; L87-T520 HydrophobicContact CD2-CG2 4.25Å; L87-T520 HydrophobicContact CG-CG2 4.37Å; S518-T520 PolarHBondContact O-N 3.39Å
521	S	89.3	Confident	84.5	Confident	33 Å²	33	28.9 Å²	28.9	23%	0.231	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.3	179.5	69.1	0	0	0	0	112	A76 D82 R517 S518	A76-S521 CarbonylContact O-C 3.59Å; A76-S521 WeakPolarHBondContact O-CA 3.49Å; D82-S521 VanDerWaalsContact OD1-CB 3.28Å; D82-S521 WeakPolarHBondContact OD1-CB 3.34Å; R517-S521 CarbonylContact C-O 3.53Å; R517-S521 WeakPolarHBondContact CA-O 3.47Å; S518-S521 PolarHBondContact N-O 2.79Å; S518-S521 PolarHBondContact O-N 2.88Å; S518-S521 PolarHBondContact O-OG 3.26Å
522	C	90.7	Very high	84.5	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.054	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	175.8	-69.5	0	0	0	0	109.6	P75 A76 Q77 C506 V516	P75-C522 VanDerWaalsContact CB-SG 3.58Å; P75-C522 WeakPolarHBondContact CG-SG 3.25Å; A76-C522 PolarHBondContact O-N 3.49Å; Q77-C522 HydrophobicContact CB-CB 4.14Å; Q77-C522 HydrophobicContact CG-CB 3.83Å; C506-C522 WeakPolarHBondContact CA-SG 3.42Å; C506-C522 HydrophobicContact CB-CB 3.65Å; C506-C522 WeakPolarHBondContact CB-SG 3.4Å; C506-C522 WeakPolarHBondContact SG-CB 3.13Å; C506-C522 CovalentContact SG-SG 2.04Å; C506-C522 PolarHBondContact SG-SG 2.94Å; V516-C522 CarbonylContact O-C 3.32Å; V516-C522 VanDerWaalsContact O-CA 3.25Å; V516-C522 WeakPolarHBondContact O-CA 3.14Å
523	S	88.5	Confident	84.7	Confident	58 Å²	58	31.2 Å²	31.2	41%	0.406	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166	172.6	66.9	0	0	0	0	110.7	V516	V516-S523 PolarHBondContact N-O 2.76Å; V516-S523 PolarHBondContact O-N 2.72Å
524	C	87.8	Confident	84.9	Confident	11 Å²	11	30.7 Å²	30.7	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.9	-179.5	-70	0	0	0	0	110	C509	C509-C524 VanDerWaalsContact CA-SG 3.53Å; C509-C524 HydrophobicContact CB-CB 3.75Å; C509-C524 WeakPolarHBondContact CB-SG 3.16Å; C509-C524 VanDerWaalsContact SG-CA 3.52Å; C509-C524 WeakPolarHBondContact SG-CB 3.4Å; C509-C524 CovalentContact SG-SG 2.03Å; C509-C524 PolarHBondContact SG-SG 3.27Å
525	I	84.6	Confident	85.2	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.6	168.3	-68.9	168.9	0	0	0	108.1	M243 L247 I264 T284 G513 I514 V516	M243-I525 HydrophobicContact CE-CB 4.08Å; M243-I525 HydrophobicContact CE-CD1 3.71Å; M243-I525 HydrophobicContact CE-CG1 3.72Å; M243-I525 HydrophobicContact CE-CG2 3.27Å; L247-I525 HydrophobicContact CD1-CD1 3.73Å; I264-I525 HydrophobicContact CD1-CD1 4.4Å; T284-I525 HydrophobicContact CG2-CD1 3.8Å; G513-I525 CarbonylContact C-O 3.56Å; G513-I525 WeakPolarHBondContact CA-O 3.29Å; I514-I525 HydrophobicContact CB-CB 4.25Å; I514-I525 PolarHBondContact N-O 3.09Å; I514-I525 PolarHBondContact O-N 3.35Å; V516-I525 HydrophobicContact CG2-CD1 3.41Å; V516-I525 VanDerWaalsContact CG2-CD1 3.41Å; V516-I525 HydrophobicContact CG2-CG1 3.78Å
526	C	84.3	Confident	85.2	Confident	31 Å²	31	29.9 Å²	29.9	21%	0.209	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-96.3	145.5	-172.8	-56.9	0	0	0	0	114.3	F530 C535	C526-F530 HydrophobicContact CB-CB 4.44Å; C526-C535 WeakPolarHBondContact CA-SG 3.11Å; C526-C535 HydrophobicContact CB-CB 3.65Å; C526-C535 WeakPolarHBondContact CB-SG 3.42Å; C526-C535 WeakPolarHBondContact SG-CA 3.31Å; C526-C535 WeakPolarHBondContact SG-CB 3.2Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 3.07Å
527	K	82.4	Confident	85.4	Confident	71 Å²	71	33.7 Å²	33.7	31%	0.309	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-66.2	153	171.2	-166	169.5	-177.7	172.5	0	111.9	Q244 G529 F530	Q244-K527 VanDerWaalsContact OE1-N 3.16Å; K527-G529 PolarHBondContact O-N 3.25Å; K527-F530 HydrophobicContact CB-CD2 3.73Å; K527-F530 HydrophobicContact CB-CE2 4.28Å; K527-F530 HydrophobicContact CD-CE2 4.34Å; K527-F530 HydrophobicContact CG-CD2 4.25Å; K527-F530 HydrophobicContact CG-CE2 4.42Å; K527-F530 WeakPolarHBondContact O-CB 3.4Å; K527-F530 PolarHBondContact O-N 3.35Å
528	P	77.8	Confident	85.4	Confident	24 Å²	24	35.5 Å²	35.5	16%	0.156	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	138.1	174.3	-29.5	38	0	0	0	113.7	D242 F530 R540	D242-P528 HydrophobicContact CB-CG 3.18Å; D242-P528 VanDerWaalsContact CG-CD 3.45Å; D242-P528 WeakPolarHBondContact OD2-CG 3.36Å; P528-F530 WeakPolarHBondContact O-CD2 3.45Å; P528-R540 PolarHBondContact O-NH1 2.95Å
529	G	78.4	Confident	85.4	Confident	20 Å²	20	42.1 Å²	42.1	21%	0.206	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-2.8	-173.2	0	0	0	0	0	113.8	Q289 K527 T538	Q289-G529 VanDerWaalsContact NE2-CA 3.34Å; K527-G529 PolarHBondContact O-N 3.25Å; G529-T538 WeakPolarHBondContact O-CB 3.33Å; G529-T538 PolarHBondContact O-OG1 3.26Å
530	F	85.4	Confident	85.4	Confident	12 Å²	12	47 Å²	47	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.8	174	-58.3	-94.3	0	0	0	110.8	Q289 H511 C526 K527 P528 C535 E537 T538	Q289-F530 PolarHBondContact NE2-O 2.95Å; H511-F530 HydrophobicContact CB-CD1 3.45Å; H511-F530 VanDerWaalsContact CB-CD1 3.45Å; H511-F530 HydrophobicContact CB-CE1 3.33Å; H511-F530 HydrophobicContact CB-CE2 4.41Å; H511-F530 HydrophobicContact CB-CG 4.06Å; H511-F530 HydrophobicContact CB-CZ 3.85Å; H511-F530 AromaticContact CD2-CE1 3.64Å; H511-F530 AromaticContact CE1-CE1 3.98Å; H511-F530 AromaticContact CG-CD1 3.41Å; H511-F530 VanDerWaalsContact CG-CD1 3.41Å; H511-F530 AromaticContact CG-CE1 3.2Å; H511-F530 AromaticContact ND1-CD1 3.27Å; H511-F530 VanDerWaalsContact ND1-CD1 3.27Å; H511-F530 WeakPolarHBondContact ND1-CD1 3.49Å; H511-F530 AromaticContact ND1-CE1 3.48Å; H511-F530 WeakPolarHBondContact ND1-CE1 3.05Å; C526-F530 HydrophobicContact CB-CB 4.44Å; K527-F530 HydrophobicContact CB-CD2 3.73Å; K527-F530 HydrophobicContact CB-CE2 4.28Å; K527-F530 HydrophobicContact CD-CE2 4.34Å; K527-F530 HydrophobicContact CG-CD2 4.25Å; K527-F530 HydrophobicContact CG-CE2 4.42Å; K527-F530 WeakPolarHBondContact O-CB 3.4Å; K527-F530 PolarHBondContact O-N 3.35Å; P528-F530 WeakPolarHBondContact O-CD2 3.45Å; F530-C535 HydrophobicContact CB-CB 4.34Å; F530-E537 CarbonylContact C-O 3.26Å; F530-E537 VanDerWaalsContact CA-O 3.23Å; F530-E537 WeakPolarHBondContact CA-O 3.49Å; F530-T538 VanDerWaalsContact CD1-CB 3.46Å; F530-T538 HydrophobicContact CD1-CG2 3.84Å; F530-T538 HydrophobicContact CE1-CG2 3.5Å; F530-T538 HydrophobicContact CZ-CG2 4.39Å
531	R	84.8	Confident	84.7	Confident	146 Å²	146	57.9 Å²	57.9	55%	0.551	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	177.5	-178.5	-60.2	-176.1	-175.6	-175.1	-1.2	109.8	C535 E536 E537	R531-C535 CarbonylContact O-C 3.52Å; R531-C535 VanDerWaalsContact O-C 3.26Å; R531-C535 WeakPolarHBondContact O-CA 3.09Å; R531-E536 PolarHBondContact O-N 3.33Å; R531-E536 VanDerWaalsContact O-N 3.11Å; R531-E537 HydrophobicContact CB-CB 4.27Å; R531-E537 PolarHBondContact N-O 2.67Å; R531-E537 WeakPolarHBondContact O-CB 3.13Å; R531-E537 PolarHBondContact O-N 3.23Å
532	G	86.6	Confident	83.9	Confident	33 Å²	33	61.1 Å²	61.1	34%	0.34	31%	0.306	S	S	.	.	S	Bend	trans	97.2	171.7	-176.4	0	0	0	0	0	112.3	A534 C535 E536	G532-A534 PolarHBondContact O-N 2.8Å; G532-C535 PolarHBondContact O-N 3.44Å; G532-E536 WeakPolarHBondContact CA-OE2 3.45Å
533	V	87.4	Confident	83.3	Confident	72 Å²	72	62.5 Å²	62.5	44%	0.436	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.5	-173.4	-66.6	0	0	0	0	113.1	P43 F78 E536	P43-V533 HydrophobicContact CG-CG2 4.28Å; F78-V533 HydrophobicContact CB-CB 4.38Å; F78-V533 HydrophobicContact CB-CG2 3.86Å; F78-V533 HydrophobicContact CD1-CB 4.33Å; F78-V533 HydrophobicContact CD1-CG2 4.11Å; F78-V533 WeakPolarHBondContact CD1-O 3.04Å; F78-V533 HydrophobicContact CG-CG2 4.3Å; V533-E536 PolarHBondContact N-OE2 2.67Å
534	A	88.9	Confident	83.1	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.008	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	15.8	178.7	0	0	0	0	0	112.6	P43 F78 R510 G532 E536	P43-A534 HydrophobicContact CG-CB 3.45Å; P43-A534 VanDerWaalsContact CG-CB 3.45Å; F78-A534 HydrophobicContact CD1-CB 3.7Å; F78-A534 HydrophobicContact CE1-CB 3.23Å; F78-A534 HydrophobicContact CZ-CB 3.76Å; R510-A534 WeakPolarHBondContact CB-O 3.31Å; R510-A534 PolarHBondContact N-O 2.94Å; G532-A534 PolarHBondContact O-N 2.8Å; A534-E536 WeakPolarHBondContact CA-OE2 3.06Å; A534-E536 WeakPolarHBondContact CB-OE2 3.38Å; A534-E536 PolarHBondContact N-OE2 2.75Å; A534-E536 PolarHBondContact O-N 3.49Å
535	C	88.5	Confident	83	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	63.1	30	-175.1	-43.4	0	0	0	0	113.4	H511 C526 F530 R531 G532	H511-C535 PolarHBondContact ND1-O 2.77Å; C526-C535 WeakPolarHBondContact CA-SG 3.11Å; C526-C535 HydrophobicContact CB-CB 3.65Å; C526-C535 WeakPolarHBondContact CB-SG 3.42Å; C526-C535 WeakPolarHBondContact SG-CA 3.31Å; C526-C535 WeakPolarHBondContact SG-CB 3.2Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 3.07Å; F530-C535 HydrophobicContact CB-CB 4.34Å; R531-C535 CarbonylContact O-C 3.52Å; R531-C535 VanDerWaalsContact O-C 3.26Å; R531-C535 WeakPolarHBondContact O-CA 3.09Å; G532-C535 PolarHBondContact O-N 3.44Å
536	E	87.1	Confident	83.1	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.056	34%	0.338	C	S	.	.			trans	-81.6	-22.1	-173.4	71.1	-85	-155.7	0	0	114.7	S42 R531 G532 V533 A534	S42-E536 WeakPolarHBondContact CA-OE1 3.15Å; S42-E536 WeakPolarHBondContact CB-OE1 3.43Å; R531-E536 PolarHBondContact O-N 3.33Å; R531-E536 VanDerWaalsContact O-N 3.11Å; G532-E536 WeakPolarHBondContact CA-OE2 3.45Å; V533-E536 PolarHBondContact N-OE2 2.67Å; A534-E536 WeakPolarHBondContact CA-OE2 3.06Å; A534-E536 WeakPolarHBondContact CB-OE2 3.38Å; A534-E536 PolarHBondContact N-OE2 2.75Å; A534-E536 PolarHBondContact O-N 3.49Å
537	E	87	Confident	83.2	Confident	87 Å²	87	68.4 Å²	68.4	41%	0.407	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.6	-174	-56.3	-176	169.7	0	0	110.4	A39 F530 R531	A39-E537 WeakPolarHBondContact CB-OE1 3.32Å; F530-E537 CarbonylContact C-O 3.26Å; F530-E537 VanDerWaalsContact CA-O 3.23Å; F530-E537 WeakPolarHBondContact CA-O 3.49Å; R531-E537 HydrophobicContact CB-CB 4.27Å; R531-E537 PolarHBondContact N-O 2.67Å; R531-E537 WeakPolarHBondContact O-CB 3.13Å; R531-E537 PolarHBondContact O-N 3.23Å
538	T	85	Confident	83.3	Confident	43 Å²	43	66.7 Å²	66.7	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.9	171.4	-169.1	0	0	0	0	112	G529 F530 R540	G529-T538 WeakPolarHBondContact O-CB 3.33Å; G529-T538 PolarHBondContact O-OG1 3.26Å; F530-T538 VanDerWaalsContact CD1-CB 3.46Å; F530-T538 HydrophobicContact CD1-CG2 3.84Å; F530-T538 HydrophobicContact CE1-CG2 3.5Å; F530-T538 HydrophobicContact CZ-CG2 4.39Å; T538-R540 HydrophobicContact CG2-CB 4.44Å; T538-R540 WeakPolarHBondContact OG1-CB 3.18Å; T538-R540 PolarHBondContact OG1-N 3.48Å
539	L	82.1	Confident	83.8	Confident	179 Å²	179	67 Å²	67	94%	0.937	33%	0.329	S	S	*	.	S	Bend	trans	-92.9	-4.9	167.8	-63.7	173.5	0	0	0	112
540	R	80.8	Confident	84.3	Confident	117 Å²	117	67.1 Å²	67.1	44%	0.442	33%	0.327	S	S	.	.			trans	-77.8	140.1	-178.2	-69.4	-168.9	176.5	-177.5	1.8	110.8	P528 T538 D542	P528-R540 PolarHBondContact O-NH1 2.95Å; T538-R540 HydrophobicContact CG2-CB 4.44Å; T538-R540 WeakPolarHBondContact OG1-CB 3.18Å; T538-R540 PolarHBondContact OG1-N 3.48Å; R540-D542 WeakPolarHBondContact CB-OD1 3.18Å
541	R	71.9	Confident	84.4	Confident	255 Å²	255	68.2 Å²	68.2	96%	0.962	34%	0.336	S	S	*	.	S	Bend	trans	-85.2	-19.2	176.5	-67.5	-174.4	179.9	-175.3	0.3	112.5	A543	R541-A543 VanDerWaalsContact C-N 3.3Å; R541-A543 PolarHBondContact O-N 3.12Å
542	D	71.3	Confident	84.5	Confident	101 Å²	101	63.9 Å²	63.9	54%	0.54	32%	0.32	S	S	.	.			trans	-92.2	49.2	179.6	64.2	-41.6	0	0	0	112.4	R540 R544	R540-D542 WeakPolarHBondContact CB-OD1 3.18Å; D542-R544 PolarHBondContact O-N 3.02Å
543	A	78.9	Confident	84.4	Confident	37 Å²	37	63.7 Å²	63.7	31%	0.306	32%	0.318	S	S	.	.			trans	-72.4	95.2	174.3	0	0	0	0	0	110.3	R541	R541-A543 VanDerWaalsContact C-N 3.3Å; R541-A543 PolarHBondContact O-N 3.12Å
544	R	84.5	Confident	84.3	Confident	148 Å²	148	64.8 Å²	64.8	56%	0.558	33%	0.329	S	S	*	.			trans	-105.9	143.4	172	-49.7	-165.9	-178.6	169	1.3	109.8	D542 G576	D542-R544 PolarHBondContact O-N 3.02Å; R544-G576 WeakPolarHBondContact CD-O 3.14Å; R544-G576 VanDerWaalsContact CG-O 3.32Å; R544-G576 WeakPolarHBondContact CG-O 3.42Å
545	T	85	Confident	84.2	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.031	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-126.2	119	172.9	-57.7	0	0	0	0	107.1	H511 N512 P572 P574 E575 G578	H511-T545 PolarHBondContact N-OG1 2.79Å; N512-T545 WeakPolarHBondContact OD1-CA 3.4Å; T545-P572 HydrophobicContact CG2-CB 3.79Å; T545-P572 HydrophobicContact CG2-CG 3.31Å; T545-P574 CarbonylContact O-C 3.54Å; T545-P574 VanDerWaalsContact O-CA 3.24Å; T545-P574 WeakPolarHBondContact O-CA 3.34Å; T545-E575 PolarHBondContact N-O 2.89Å; T545-E575 PolarHBondContact O-N 3.38Å; T545-G578 WeakPolarHBondContact O-CA 3.43Å
546	D	86.8	Confident	84.2	Confident	60 Å²	60	69.1 Å²	69.1	32%	0.321	35%	0.352	S	S	.	.			trans	-76.3	149.8	173.4	-60.1	-30	0	0	0	109.3	N512 G578 A579	N512-D546 PolarHBondContact ND2-OD2 3.36Å; N512-D546 WeakPolarHBondContact OD1-CB 3.47Å; N512-D546 PolarHBondContact OD1-N 2.82Å; D546-G578 WeakPolarHBondContact OD1-CA 3.14Å; D546-A579 HydrophobicContact CB-CB 4.35Å; D546-A579 PolarHBondContact OD1-N 3.39Å
547	G	85.8	Confident	84.3	Confident	13 Å²	13	73.8 Å²	73.8	13%	0.134	39%	0.386	C	S	.	.			trans	-72.1	135.6	177	0	0	0	0	0	111.7	P572 A579 C581	G547-P572 CarbonylContact C-O 3.48Å; G547-P572 VanDerWaalsContact CA-O 3.31Å; G547-P572 WeakPolarHBondContact CA-O 3.49Å; G547-A579 PolarHBondContact N-O 2.79Å; G547-C581 PolarHBondContact O-SG 3.1Å; G547-C581 VanDerWaalsContact O-SG 3.39Å
548	S	85.8	Confident	84.4	Confident	36 Å²	36	73 Å²	73	25%	0.252	39%	0.39	S	S	.	.			trans	-125.2	150.9	166.2	178	0	0	0	0	111.4	N570 N571 P572 C581	S548-N570 PolarHBondContact O-N 3.44Å; S548-N571 VanDerWaalsContact CB-O 3.23Å; S548-N571 WeakPolarHBondContact CB-O 3.01Å; S548-N571 CarbonylContact O-C 3.53Å; S548-N571 PolarHBondContact O-N 3.31Å; S548-P572 PolarHBondContact N-O 3.3Å; S548-C581 VanDerWaalsContact CA-SG 3.51Å; S548-C581 PolarHBondContact N-SG 3.42Å; S548-C581 VanDerWaalsContact N-SG 3.38Å; S548-C581 PolarHBondContact O-SG 2.83Å
549	W	87.4	Confident	84.6	Confident	30 Å²	30	75 Å²	75	11%	0.114	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-69	138	-173.2	-75.1	114.6	0	0	0	111.5	R567 C569 C581 L582 G583 A585	W549-R567 VanDerWaalsContact CD1-CZ 3.44Å; W549-R567 HydrophobicContact CD2-CG 3.95Å; W549-R567 VanDerWaalsContact CD2-NE 3.3Å; W549-R567 HydrophobicContact CE3-CB 4.13Å; W549-R567 HydrophobicContact CE3-CG 3.44Å; W549-R567 VanDerWaalsContact CE3-CG 3.44Å; W549-R567 HydrophobicContact CZ3-CG 3.83Å; W549-C569 HydrophobicContact CE3-CB 4.4Å; W549-C569 HydrophobicContact CZ3-CB 4.23Å; W549-C581 HydrophobicContact CD2-CB 3.75Å; W549-C581 HydrophobicContact CE3-CB 4.24Å; W549-C581 HydrophobicContact CG-CB 4.22Å; W549-C581 HydrophobicContact CH2-CB 4.07Å; W549-C581 HydrophobicContact CZ2-CB 3.55Å; W549-C581 HydrophobicContact CZ3-CB 4.4Å; W549-L582 PolarHBondContact NE1-O 3.07Å; W549-G583 WeakPolarHBondContact CZ2-O 3.2Å; W549-A585 HydrophobicContact CH2-CB 3.64Å; W549-A585 HydrophobicContact CZ3-CB 3.81Å
550	S	88.8	Confident	84.9	Confident	23 Å²	23	72.4 Å²	72.4	16%	0.161	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-59.9	162.6	160.6	78.8	0	0	0	0	110.3	W552 I568 N570	S550-W552 PolarHBondContact O-N 3.37Å; S550-I568 VanDerWaalsContact CB-O 3.26Å; S550-I568 WeakPolarHBondContact CB-O 3.26Å; S550-I568 PolarHBondContact N-O 2.7Å; S550-I568 PolarHBondContact OG-N 2.02Å; S550-I568 PolarHBondContact OG-O 2.9Å; S550-N570 WeakPolarHBondContact CB-OD1 3.47Å
551	C	87.6	Confident	85.3	Confident	35 Å²	35	68.4 Å²	68.4	24%	0.236	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-52.6	146.3	162	-60.7	0	0	0	0	110.8	C504 R505 G553	C504-C551 HydrophobicContact CB-CB 4.07Å; C504-C551 WeakPolarHBondContact CB-SG 3.02Å; C504-C551 PolarHBondContact O-SG 3.35Å; C504-C551 WeakPolarHBondContact SG-CA 3.09Å; C504-C551 WeakPolarHBondContact SG-CB 3.35Å; C504-C551 CovalentContact SG-SG 2.03Å; C504-C551 PolarHBondContact SG-SG 2.89Å; R505-C551 VanDerWaalsContact CG-SG 3.52Å; R505-C551 PolarHBondContact N-SG 2.82Å; R505-C551 VanDerWaalsContact N-SG 3.44Å; C551-G553 PolarHBondContact O-N 3.05Å
552	W	86.8	Confident	86.1	Confident	55 Å²	55	59 Å²	59	21%	0.208	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-59	133.2	169.5	-77.7	108.6	0	0	0	110.3	S550 R565 R567 Q587	S550-W552 PolarHBondContact O-N 3.37Å; W552-R565 HydrophobicContact CD2-CG 4.26Å; W552-R565 HydrophobicContact CE3-CB 4.35Å; W552-R565 HydrophobicContact CE3-CG 3.6Å; W552-R565 HydrophobicContact CZ3-CG 3.99Å; W552-R567 HydrophobicContact CD2-CB 4.13Å; W552-R567 HydrophobicContact CD2-CG 4.09Å; W552-R567 HydrophobicContact CE3-CB 3.78Å; W552-R567 HydrophobicContact CE3-CG 3.74Å; W552-R567 HydrophobicContact CH2-CG 3.7Å; W552-R567 VanDerWaalsContact CZ2-CD 3.47Å; W552-R567 HydrophobicContact CZ2-CG 4.05Å; W552-R567 VanDerWaalsContact CZ2-CZ 3.47Å; W552-R567 HydrophobicContact CZ3-CB 4.06Å; W552-R567 HydrophobicContact CZ3-CG 3.54Å; W552-Q587 HydrophobicContact CH2-CB 3.7Å; W552-Q587 HydrophobicContact CZ2-CB 4.31Å; W552-Q587 HydrophobicContact CZ3-CB 3.92Å
553	G	85.8	Confident	87	Confident	29 Å²	29	56.3 Å²	56.3	30%	0.299	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-63.8	165.1	167.5	0	0	0	0	0	111.9	C551 T566	C551-G553 PolarHBondContact O-N 3.05Å; G553-T566 PolarHBondContact N-O 3.48Å
554	S	85.3	Confident	87.6	Confident	95 Å²	95	56.9 Å²	56.9	66%	0.664	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-58.4	145.4	170.4	-59.6	0	0	0	0	110.6
555	W	85.6	Confident	87.8	Confident	41 Å²	41	51.6 Å²	51.6	16%	0.155	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59.3	139.3	169.5	-72	110.2	0	0	0	110.6	E495 K563 S564 R565 Q587 R589	E495-W555 PolarHBondContact OE2-NE1 3.12Å; W555-K563 HydrophobicContact CB-CD 4.14Å; W555-K563 HydrophobicContact CD2-CD 3.92Å; W555-K563 HydrophobicContact CD2-CG 4.13Å; W555-K563 HydrophobicContact CE3-CB 4.04Å; W555-K563 HydrophobicContact CE3-CD 4.02Å; W555-K563 HydrophobicContact CE3-CG 3.68Å; W555-K563 HydrophobicContact CG-CD 3.99Å; W555-K563 HydrophobicContact CZ3-CG 4.11Å; W555-K563 WeakPolarHBondContact CZ3-O 3.5Å; W555-S564 VanDerWaalsContact CE3-C 3.41Å; W555-R565 HydrophobicContact CD2-CB 4.03Å; W555-R565 HydrophobicContact CD2-CG 3.99Å; W555-R565 HydrophobicContact CE3-CB 3.79Å; W555-R565 HydrophobicContact CE3-CG 3.79Å; W555-R565 HydrophobicContact CH2-CG 3.8Å; W555-R565 HydrophobicContact CZ2-CG 4.02Å; W555-R565 HydrophobicContact CZ3-CB 4.15Å; W555-R565 HydrophobicContact CZ3-CG 3.7Å; W555-Q587 HydrophobicContact CH2-CB 4.33Å; W555-Q587 HydrophobicContact CH2-CG 3.99Å; W555-Q587 WeakPolarHBondContact CZ3-O 3.04Å; W555-R589 HydrophobicContact CH2-CB 3.58Å; W555-R589 HydrophobicContact CZ2-CB 4.26Å; W555-R589 HydrophobicContact CZ3-CB 3.88Å
556	S	88.9	Confident	88.1	Confident	50 Å²	50	55 Å²	55	35%	0.35	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-65.3	158.1	167.8	58.2	0	0	0	0	110.9	S564	S556-S564 PolarHBondContact N-O 2.91Å; S556-S564 PolarHBondContact OG-N 3.15Å; S556-S564 PolarHBondContact OG-O 3.41Å; S556-S564 PolarHBondContact OG-OG 3.06Å
557	S	88.6	Confident	88.3	Confident	110 Å²	110	53.5 Å²	53.5	77%	0.769	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-56.6	147	167.1	-56.4	0	0	0	0	109.9	S559	S557-S559 PolarHBondContact O-N 3.12Å; S557-S559 VanDerWaalsContact O-N 3.14Å
558	C	89.4	Confident	88.6	Confident	72 Å²	72	58 Å²	58	49%	0.486	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.7	121.3	179.9	-165.5	0	0	0	0	110.8	C591	C558-C591 VanDerWaalsContact CA-SG 3.58Å; C558-C591 HydrophobicContact CB-CB 3.92Å; C558-C591 WeakPolarHBondContact CB-SG 3.44Å; C558-C591 WeakPolarHBondContact SG-CB 3.38Å; C558-C591 CovalentContact SG-SG 2.02Å; C558-C591 PolarHBondContact SG-SG 3.16Å
559	S	90.4	Very high	88.8	Confident	83 Å²	83	57.8 Å²	57.8	58%	0.58	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-123.6	121	175.6	-178.1	0	0	0	0	108.7	S557 G561 T562	S557-S559 PolarHBondContact O-N 3.12Å; S557-S559 VanDerWaalsContact O-N 3.14Å; S559-G561 VanDerWaalsContact C-N 3.27Å; S559-G561 PolarHBondContact O-N 3.45Å; S559-T562 PolarHBondContact N-O 2.03Å; S559-T562 PolarHBondContact O-N 2.91Å
560	S	88.1	Confident	88.8	Confident	125 Å²	125	60.1 Å²	60.1	87%	0.874	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	41.8	-179.2	-52.8	0	0	0	0	113.7	T562	S560-T562 PolarHBondContact O-N 3.46Å
561	G	88.8	Confident	88.7	Confident	34 Å²	34	60.3 Å²	60.3	35%	0.351	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	10.8	-180	0	0	0	0	0	114.6	S559 R590 C591	S559-G561 VanDerWaalsContact C-N 3.27Å; S559-G561 PolarHBondContact O-N 3.45Å; G561-R590 VanDerWaalsContact O-CA 3.32Å; G561-R590 WeakPolarHBondContact O-CA 3.26Å; G561-C591 PolarHBondContact O-N 2.86Å
562	T	89	Confident	88.6	Confident	56 Å²	56	59.8 Å²	59.8	34%	0.344	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.6	178.3	-55.4	0	0	0	0	110.3	S559 S560 N588 R589 C591	S559-T562 PolarHBondContact N-O 2.03Å; S559-T562 PolarHBondContact O-N 2.91Å; S560-T562 PolarHBondContact O-N 3.46Å; T562-N588 HydrophobicContact CG2-CB 3.97Å; T562-R589 CarbonylContact C-O 3.55Å; T562-R589 WeakPolarHBondContact CA-O 3.32Å; T562-C591 VanDerWaalsContact C-SG 3.59Å
563	K	90.6	Very high	88.7	Confident	46 Å²	46	59.8 Å²	59.8	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.8	164.6	59.5	178.4	-176	175.2	0	109.2	W555 N588 R589	W555-K563 HydrophobicContact CB-CD 4.14Å; W555-K563 HydrophobicContact CD2-CD 3.92Å; W555-K563 HydrophobicContact CD2-CG 4.13Å; W555-K563 HydrophobicContact CE3-CB 4.04Å; W555-K563 HydrophobicContact CE3-CD 4.02Å; W555-K563 HydrophobicContact CE3-CG 3.68Å; W555-K563 HydrophobicContact CG-CD 3.99Å; W555-K563 HydrophobicContact CZ3-CG 4.11Å; W555-K563 WeakPolarHBondContact CZ3-O 3.5Å; K563-N588 WeakPolarHBondContact O-CA 3.42Å; K563-R589 HydrophobicContact CG-CB 4.22Å; K563-R589 PolarHBondContact N-O 2.86Å; K563-R589 PolarHBondContact O-N 3.19Å
564	S	90.3	Very high	88.9	Confident	48 Å²	48	60.9 Å²	60.9	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.2	-178.7	60.9	0	0	0	0	111	W555 S556 Q587 N588	W555-S564 VanDerWaalsContact CE3-C 3.41Å; S556-S564 PolarHBondContact N-O 2.91Å; S556-S564 PolarHBondContact OG-N 3.15Å; S556-S564 PolarHBondContact OG-O 3.41Å; S556-S564 PolarHBondContact OG-OG 3.06Å; S564-Q587 CarbonylContact C-O 3.56Å; S564-Q587 VanDerWaalsContact CA-O 3.27Å; S564-Q587 WeakPolarHBondContact CA-O 3.07Å; S564-N588 VanDerWaalsContact CB-OD1 3.24Å; S564-N588 WeakPolarHBondContact CB-OD1 3.46Å
565	R	90.3	Very high	89	Confident	38 Å²	38	62.2 Å²	62.2	14%	0.143	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.3	169.8	65.1	177.8	-174.4	-177	2.1	110	W552 W555 Q587	W552-R565 HydrophobicContact CD2-CG 4.26Å; W552-R565 HydrophobicContact CE3-CB 4.35Å; W552-R565 HydrophobicContact CE3-CG 3.6Å; W552-R565 HydrophobicContact CZ3-CG 3.99Å; W555-R565 HydrophobicContact CD2-CB 4.03Å; W555-R565 HydrophobicContact CD2-CG 3.99Å; W555-R565 HydrophobicContact CE3-CB 3.79Å; W555-R565 HydrophobicContact CE3-CG 3.79Å; W555-R565 HydrophobicContact CH2-CG 3.8Å; W555-R565 HydrophobicContact CZ2-CG 4.02Å; W555-R565 HydrophobicContact CZ3-CB 4.15Å; W555-R565 HydrophobicContact CZ3-CG 3.7Å; R565-Q587 HydrophobicContact CG-CB 4.04Å; R565-Q587 PolarHBondContact N-O 2.83Å; R565-Q587 PolarHBondContact O-N 3.15Å
566	T	91.1	Very high	88.9	Confident	77 Å²	77	63 Å²	63	47%	0.472	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.8	-176.2	62.2	0	0	0	0	110.6	G553 A585 N586	G553-T566 PolarHBondContact N-O 3.48Å; T566-A585 CarbonylContact C-O 3.56Å; T566-A585 VanDerWaalsContact CA-O 3.3Å; T566-A585 WeakPolarHBondContact CA-O 3.48Å; T566-N586 WeakPolarHBondContact CG2-OD1 3.47Å
567	R	90.6	Very high	88.7	Confident	28 Å²	28	63.8 Å²	63.8	11%	0.106	42%	0.415	C	S	.	.			trans	-136.1	158	169.4	58	176.6	-179.6	-179.9	1.3	109.2	W549 W552 S584 A585	W549-R567 VanDerWaalsContact CD1-CZ 3.44Å; W549-R567 HydrophobicContact CD2-CG 3.95Å; W549-R567 VanDerWaalsContact CD2-NE 3.3Å; W549-R567 HydrophobicContact CE3-CB 4.13Å; W549-R567 HydrophobicContact CE3-CG 3.44Å; W549-R567 VanDerWaalsContact CE3-CG 3.44Å; W549-R567 HydrophobicContact CZ3-CG 3.83Å; W552-R567 HydrophobicContact CD2-CB 4.13Å; W552-R567 HydrophobicContact CD2-CG 4.09Å; W552-R567 HydrophobicContact CE3-CB 3.78Å; W552-R567 HydrophobicContact CE3-CG 3.74Å; W552-R567 HydrophobicContact CH2-CG 3.7Å; W552-R567 VanDerWaalsContact CZ2-CD 3.47Å; W552-R567 HydrophobicContact CZ2-CG 4.05Å; W552-R567 VanDerWaalsContact CZ2-CZ 3.47Å; W552-R567 HydrophobicContact CZ3-CB 4.06Å; W552-R567 HydrophobicContact CZ3-CG 3.54Å; R567-S584 PolarHBondContact NE-O 3.41Å; R567-S584 PolarHBondContact NH2-O 2.55Å; R567-A585 PolarHBondContact N-O 2.87Å
568	I	91.9	Very high	88.5	Confident	108 Å²	108	59.3 Å²	59.3	55%	0.554	39%	0.386	S	S	*	.			trans	-122.1	144.6	-174.4	-53.1	173.6	0	0	0	108.5	S550 N570	S550-I568 VanDerWaalsContact CB-O 3.26Å; S550-I568 WeakPolarHBondContact CB-O 3.26Å; S550-I568 PolarHBondContact N-O 2.7Å; S550-I568 PolarHBondContact OG-N 2.02Å; S550-I568 PolarHBondContact OG-O 2.9Å; I568-N570 VanDerWaalsContact C-N 3.28Å; I568-N570 HydrophobicContact CG2-CB 4.24Å; I568-N570 PolarHBondContact O-N 2.96Å
569	C	89.6	Confident	88.4	Confident	30 Å²	30	58.3 Å²	58.3	20%	0.203	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-80.6	75.1	177	-169.3	0	0	0	0	110.4	W549 S573 C581	W549-C569 HydrophobicContact CE3-CB 4.4Å; W549-C569 HydrophobicContact CZ3-CB 4.23Å; C569-S573 PolarHBondContact O-OG 3.2Å; C569-C581 WeakPolarHBondContact CA-SG 3.43Å; C569-C581 HydrophobicContact CB-CB 3.8Å; C569-C581 WeakPolarHBondContact CB-SG 3.45Å; C569-C581 WeakPolarHBondContact SG-CB 2.99Å; C569-C581 PolarHBondContact SG-N 3.33Å; C569-C581 CovalentContact SG-SG 2.02Å; C569-C581 PolarHBondContact SG-SG 3.46Å
570	N	88.3	Confident	88.3	Confident	79 Å²	79	58.8 Å²	58.8	42%	0.422	38%	0.384	S	S	.	.			trans	-140	12.9	-174.2	75.2	-8.6	0	0	0	115.6	S548 S550 I568 P572 S573	S548-N570 PolarHBondContact O-N 3.44Å; S550-N570 WeakPolarHBondContact CB-OD1 3.47Å; I568-N570 VanDerWaalsContact C-N 3.28Å; I568-N570 HydrophobicContact CG2-CB 4.24Å; I568-N570 PolarHBondContact O-N 2.96Å; N570-P572 VanDerWaalsContact C-CA 3.47Å; N570-S573 VanDerWaalsContact CA-OG 3.32Å; N570-S573 WeakPolarHBondContact CA-OG 3.48Å
571	N	85.1	Confident	88.2	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.144	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	61.3	-178.8	-162.1	40.9	0	0	0	113.9	C504 C506 P508 S548	C504-N571 PolarHBondContact O-ND2 3.14Å; C506-N571 PolarHBondContact O-ND2 3.33Å; C506-N571 PolarHBondContact O-OD1 3.14Å; P508-N571 WeakPolarHBondContact CB-OD1 3.41Å; P508-N571 WeakPolarHBondContact CD-OD1 3.27Å; S548-N571 VanDerWaalsContact CB-O 3.23Å; S548-N571 WeakPolarHBondContact CB-O 3.01Å; S548-N571 CarbonylContact O-C 3.53Å; S548-N571 PolarHBondContact O-N 3.31Å
572	P	87.1	Confident	87.9	Confident	25 Å²	25	59.5 Å²	59.5	16%	0.162	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.8	171.1	0.7	29.2	-31	0	0	0	113.9	P508 T545 G547 S548 N570	P508-P572 HydrophobicContact CB-CB 3.7Å; P508-P572 HydrophobicContact CB-CG 4.15Å; P508-P572 HydrophobicContact CG-CB 4.39Å; T545-P572 HydrophobicContact CG2-CB 3.79Å; T545-P572 HydrophobicContact CG2-CG 3.31Å; G547-P572 CarbonylContact C-O 3.48Å; G547-P572 VanDerWaalsContact CA-O 3.31Å; G547-P572 WeakPolarHBondContact CA-O 3.49Å; S548-P572 PolarHBondContact N-O 3.3Å; N570-P572 VanDerWaalsContact C-CA 3.47Å
573	S	88.5	Confident	87.6	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-75.3	150.9	164.9	-73.1	0	0	0	0	110.8	C569 N570 E575	C569-S573 PolarHBondContact O-OG 3.2Å; N570-S573 VanDerWaalsContact CA-OG 3.32Å; N570-S573 WeakPolarHBondContact CA-OG 3.48Å; S573-E575 PolarHBondContact O-N 2.98Å
574	P	89.8	Confident	87.5	Confident	53 Å²	53	61 Å²	61	34%	0.344	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-61.7	129.2	174.6	-16.4	26.3	0	0	0	111.8	T545	T545-P574 CarbonylContact O-C 3.54Å; T545-P574 VanDerWaalsContact O-CA 3.24Å; T545-P574 WeakPolarHBondContact O-CA 3.34Å
575	E	87.8	Confident	87.4	Confident	123 Å²	123	60.4 Å²	60.4	58%	0.575	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-134.2	154.4	177.5	-65.9	-178.6	172.1	0	0	110.9	T545 S573 G577 G578	T545-E575 PolarHBondContact N-O 2.89Å; T545-E575 PolarHBondContact O-N 3.38Å; S573-E575 PolarHBondContact O-N 2.98Å; E575-G577 PolarHBondContact O-N 2.85Å; E575-G577 VanDerWaalsContact O-N 3.16Å; E575-G578 PolarHBondContact O-N 3.28Å
576	G	83.7	Confident	87.4	Confident	56 Å²	56	63.3 Å²	63.3	58%	0.577	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	20.3	175.2	0	0	0	0	0	114.9	R544	R544-G576 WeakPolarHBondContact CD-O 3.14Å; R544-G576 VanDerWaalsContact CG-O 3.32Å; R544-G576 WeakPolarHBondContact CG-O 3.42Å
577	G	83.9	Confident	87.2	Confident	68 Å²	68	63.1 Å²	63.1	70%	0.701	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	24.1	-174.1	0	0	0	0	0	114.1	E575	E575-G577 PolarHBondContact O-N 2.85Å; E575-G577 VanDerWaalsContact O-N 3.16Å
578	G	84.8	Confident	87.1	Confident	15 Å²	15	67.3 Å²	67.3	16%	0.155	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-65.3	161.2	169.7	0	0	0	0	0	113.4	T545 D546 E575	T545-G578 WeakPolarHBondContact O-CA 3.43Å; D546-G578 WeakPolarHBondContact OD1-CA 3.14Å; E575-G578 PolarHBondContact O-N 3.28Å
579	A	86.6	Confident	86.7	Confident	51 Å²	51	66.3 Å²	66.3	42%	0.421	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.3	144.8	-179	0	0	0	0	0	111.6	D546 G547	D546-A579 HydrophobicContact CB-CB 4.35Å; D546-A579 PolarHBondContact OD1-N 3.39Å; G547-A579 PolarHBondContact N-O 2.79Å
580	P	87.9	Confident	86.4	Confident	93 Å²	93	75 Å²	75	60%	0.604	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-70.3	160.4	170.4	31.8	-35.1	0	0	0	111.1	L582	P580-L582 PolarHBondContact O-N 3.44Å
581	C	85.9	Confident	85.9	Confident	19 Å²	19	76.2 Å²	76.2	13%	0.128	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-59.8	131.2	174.3	-62.6	0	0	0	0	111.5	G547 S548 W549 C569	G547-C581 PolarHBondContact O-SG 3.1Å; G547-C581 VanDerWaalsContact O-SG 3.39Å; S548-C581 VanDerWaalsContact CA-SG 3.51Å; S548-C581 PolarHBondContact N-SG 3.42Å; S548-C581 VanDerWaalsContact N-SG 3.38Å; S548-C581 PolarHBondContact O-SG 2.83Å; W549-C581 HydrophobicContact CD2-CB 3.75Å; W549-C581 HydrophobicContact CE3-CB 4.24Å; W549-C581 HydrophobicContact CG-CB 4.22Å; W549-C581 HydrophobicContact CH2-CB 4.07Å; W549-C581 HydrophobicContact CZ2-CB 3.55Å; W549-C581 HydrophobicContact CZ3-CB 4.4Å; C569-C581 WeakPolarHBondContact CA-SG 3.43Å; C569-C581 HydrophobicContact CB-CB 3.8Å; C569-C581 WeakPolarHBondContact CB-SG 3.45Å; C569-C581 WeakPolarHBondContact SG-CB 2.99Å; C569-C581 PolarHBondContact SG-N 3.33Å; C569-C581 CovalentContact SG-SG 2.02Å; C569-C581 PolarHBondContact SG-SG 3.46Å
582	L	83.8	Confident	86	Confident	155 Å²	155	78.7 Å²	78.7	81%	0.812	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-84.5	139.5	176.9	-61.8	176.4	0	0	0	111.4	W549 P580	W549-L582 PolarHBondContact NE1-O 3.07Å; P580-L582 PolarHBondContact O-N 3.44Å
583	G	83.1	Confident	85.9	Confident	63 Å²	63	81.5 Å²	81.5	65%	0.649	50%	0.498	S	S	*	.	S	Bend	trans	100	-176.1	179.8	0	0	0	0	0	114.3	W549	W549-G583 WeakPolarHBondContact CZ2-O 3.2Å
584	S	86.6	Confident	85.8	Confident	72 Å²	72	83 Å²	83	50%	0.503	50%	0.504	S	S	.	.			trans	-82	139.4	-176.2	-173.4	0	0	0	0	112.7	R567 N586	R567-S584 PolarHBondContact NE-O 3.41Å; R567-S584 PolarHBondContact NH2-O 2.55Å; S584-N586 VanDerWaalsContact C-N 3.32Å; S584-N586 WeakPolarHBondContact CB-O 3.35Å; S584-N586 PolarHBondContact OG-N 3.28Å; S584-N586 VanDerWaalsContact OG-N 3.11Å; S584-N586 PolarHBondContact OG-O 3.45Å
585	A	88.3	Confident	85.5	Confident	35 Å²	35	84.8 Å²	84.8	29%	0.289	51%	0.514	S	S	.	.	S	Bend	trans	-76.7	-20.6	168.6	0	0	0	0	0	112.8	W549 T566 R567	W549-A585 HydrophobicContact CH2-CB 3.64Å; W549-A585 HydrophobicContact CZ3-CB 3.81Å; T566-A585 CarbonylContact C-O 3.56Å; T566-A585 VanDerWaalsContact CA-O 3.3Å; T566-A585 WeakPolarHBondContact CA-O 3.48Å; R567-A585 PolarHBondContact N-O 2.87Å
586	N	90.1	Very high	85.4	Confident	98 Å²	98	82.4 Å²	82.4	52%	0.524	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.2	-175.2	-62.2	-34.7	0	0	0	110.1	T566 S584	T566-N586 WeakPolarHBondContact CG2-OD1 3.47Å; S584-N586 VanDerWaalsContact C-N 3.32Å; S584-N586 WeakPolarHBondContact CB-O 3.35Å; S584-N586 PolarHBondContact OG-N 3.28Å; S584-N586 VanDerWaalsContact OG-N 3.11Å; S584-N586 PolarHBondContact OG-O 3.45Å
587	Q	89	Confident	85.5	Confident	74 Å²	74	84.1 Å²	84.1	35%	0.346	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.4	171.9	-168.5	178.4	10.9	0	0	109.4	W552 W555 S564 R565	W552-Q587 HydrophobicContact CH2-CB 3.7Å; W552-Q587 HydrophobicContact CZ2-CB 4.31Å; W552-Q587 HydrophobicContact CZ3-CB 3.92Å; W555-Q587 HydrophobicContact CH2-CB 4.33Å; W555-Q587 HydrophobicContact CH2-CG 3.99Å; W555-Q587 WeakPolarHBondContact CZ3-O 3.04Å; S564-Q587 CarbonylContact C-O 3.56Å; S564-Q587 VanDerWaalsContact CA-O 3.27Å; S564-Q587 WeakPolarHBondContact CA-O 3.07Å; R565-Q587 HydrophobicContact CG-CB 4.04Å; R565-Q587 PolarHBondContact N-O 2.83Å; R565-Q587 PolarHBondContact O-N 3.15Å
588	N	87.8	Confident	85.6	Confident	116 Å²	116	85.3 Å²	85.3	62%	0.62	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.9	175.5	-66.4	-15	0	0	0	109	T562 K563 S564	T562-N588 HydrophobicContact CG2-CB 3.97Å; K563-N588 WeakPolarHBondContact O-CA 3.42Å; S564-N588 VanDerWaalsContact CB-OD1 3.24Å; S564-N588 WeakPolarHBondContact CB-OD1 3.46Å
589	R	83.6	Confident	85.7	Confident	86 Å²	86	90.7 Å²	90.7	33%	0.325	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.9	178.1	-170.2	-178.4	164.6	170.9	7	109.1	E491 E495 W555 T562 K563	E491-R589 IonicContact OE1-CZ 3.3Å; E491-R589 IonicContact OE1-NH1 2.71Å; E491-R589 PolarHBondContact OE1-NH1 2.92Å; E491-R589 IonicContact OE1-NH2 2.72Å; E491-R589 PolarHBondContact OE1-NH2 2.93Å; E491-R589 IonicContact OE2-NH2 3.32Å; E495-R589 IonicContact OE1-CZ 3.31Å; E495-R589 IonicContact OE1-NH1 2.78Å; E495-R589 PolarHBondContact OE1-NH1 2.73Å; W555-R589 HydrophobicContact CH2-CB 3.58Å; W555-R589 HydrophobicContact CZ2-CB 4.26Å; W555-R589 HydrophobicContact CZ3-CB 3.88Å; T562-R589 CarbonylContact C-O 3.55Å; T562-R589 WeakPolarHBondContact CA-O 3.32Å; K563-R589 HydrophobicContact CG-CB 4.22Å; K563-R589 PolarHBondContact N-O 2.86Å; K563-R589 PolarHBondContact O-N 3.19Å
590	R	83.7	Confident	85.6	Confident	214 Å²	214	94 Å²	94	81%	0.808	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.5	169.8	-71.5	-173	-178.1	173.9	1.1	110.2	G561	G561-R590 VanDerWaalsContact O-CA 3.32Å; G561-R590 WeakPolarHBondContact O-CA 3.26Å
591	C	77.6	Confident	85.4	Confident	103 Å²	103	94.1 Å²	94.1	70%	0.696	52%	0.518	S	S	*	.			trans	-85.4	0	152.7	-23	0	0	0	0	106.4	C558 G561 T562	C558-C591 VanDerWaalsContact CA-SG 3.58Å; C558-C591 HydrophobicContact CB-CB 3.92Å; C558-C591 WeakPolarHBondContact CB-SG 3.44Å; C558-C591 WeakPolarHBondContact SG-CB 3.38Å; C558-C591 CovalentContact SG-SG 2.02Å; C558-C591 PolarHBondContact SG-SG 3.16Å; G561-C591 PolarHBondContact O-N 2.86Å; T562-C591 VanDerWaalsContact C-SG 3.59Å

Retrieved 591 of 591 residues in 1633.8 ms (Link to these results)

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