A0A0D9RLK8_CHLSB Loading...

Kelch-like protein 3

AlphaFold DB , UniProt , Accession A0A0D9RLK8, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene KLHL3, Length 587 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.6	Very low	30.1	Very low	233 Å²	233	157.9 Å²	157.9	100%	1.148	86%	0.861	S	S	*	*				0	112.3	0	-91.5	178.4	-91.4	0	0	106.2
2	E	28.5	Very low	30.1	Very low	197 Å²	197	155.5 Å²	155.5	92%	0.921	86%	0.855	S	S	*	*			trans	38.3	123.4	147.4	-63	167.7	170.7	0	0	117.4
3	G	26.6	Very low	30.2	Very low	69 Å²	69	155.8 Å²	155.8	71%	0.711	85%	0.853	S	S	*	*			cis	133.4	132.6	24.3	0	0	0	0	0	106.9
4	E	29.4	Very low	30.5	Very low	194 Å²	194	155.7 Å²	155.7	91%	0.907	85%	0.849	S	S	*	*			trans	154.7	98.1	140.6	-85.5	-175.7	166.4	0	0	111.1
5	S	29	Very low	30.8	Very low	123 Å²	123	158.5 Å²	158.5	86%	0.86	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-88.1	126.8	166.6	-53.4	0	0	0	0	109.2	K7	S5-K7 PolarHBondContact O-N 3.18Å
6	I	30.3	Very low	31.1	Very low	160 Å²	160	154.6 Å²	154.6	82%	0.821	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-67.6	117	177.8	-62.4	165.5	0	0	0	109.3	L8	I6-L8 HydrophobicContact CG2-CD1 4.45Å
7	K	30.8	Very low	31.2	Very low	200 Å²	200	150.2 Å²	150.2	87%	0.87	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-92.6	116.2	167.9	-86.2	-178.2	175	178.4	0	109.5	S5	S5-K7 PolarHBondContact O-N 3.18Å
8	L	30	Very low	31.8	Very low	166 Å²	166	150.9 Å²	150.9	87%	0.869	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-75.1	121.9	159	-94.4	86	0	0	0	108.8	I6	I6-L8 HydrophobicContact CG2-CD1 4.45Å
9	S	29.8	Very low	32.1	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	85%	0.853	S	S	*	*			trans	-115.6	108.8	164.9	58.7	0	0	0	0	109.2	Q11	S9-Q11 PolarHBondContact O-N 3.04Å
10	S	30.7	Very low	33.1	Very low	118 Å²	118	153.6 Å²	153.6	83%	0.825	85%	0.854	S	S	*	*			trans	-79.4	108.8	166.2	40.7	0	0	0	0	109.1
11	Q	33.4	Very low	33.8	Very low	173 Å²	173	156 Å²	156	81%	0.808	86%	0.855	S	S	*	*			trans	-97.2	109.9	167.1	-82.5	-177.5	-18.4	0	0	108.9	S9 L13	S9-Q11 PolarHBondContact O-N 3.04Å; Q11-L13 PolarHBondContact O-N 3.14Å
12	T	30.2	Very low	34.2	Very low	129 Å²	129	151.4 Å²	151.4	79%	0.791	84%	0.836	S	S	*	*			trans	-83.2	107	169.3	-40.7	0	0	0	0	108.3
13	L	31.2	Very low	35.4	Very low	159 Å²	159	151.5 Å²	151.5	83%	0.832	84%	0.836	S	S	*	*			trans	-82.5	112.8	171.6	-87.8	146.9	0	0	0	109.3	Q11	Q11-L13 PolarHBondContact O-N 3.14Å
14	I	34	Very low	36.8	Very low	155 Å²	155	158 Å²	158	80%	0.795	84%	0.839	S	S	*	*			trans	-99	117	164.1	-60.9	176	0	0	0	107
15	Q	35.7	Very low	38	Very low	197 Å²	197	154.8 Å²	154.8	92%	0.921	83%	0.833	S	S	*	*			trans	-70.4	132.1	171.5	-89.5	176.7	-27	0	0	110.6
16	A	34.8	Very low	39.8	Very low	97 Å²	97	155.8 Å²	155.8	80%	0.802	83%	0.827	S	S	*	*			trans	-132.8	134.8	160.4	0	0	0	0	0	108.7
17	G	33.6	Very low	41.8	Very low	80 Å²	80	154.2 Å²	154.2	83%	0.825	83%	0.825	S	S	*	*			trans	-73.8	163.9	-177	0	0	0	0	0	114.5
18	D	41.4	Very low	43.8	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	82%	0.815	S	S	*	*			trans	-57.5	133.5	-177.8	-82.5	-36.9	0	0	0	114.5
19	D	38.4	Very low	46.1	Very low	169 Å²	169	146.4 Å²	146.4	90%	0.904	80%	0.797	S	S	*	*			trans	-161.8	122.4	134.5	-99.7	-26.9	0	0	0	110.3
20	E	52.1	Low	48.2	Very low	187 Å²	187	147 Å²	147	87%	0.874	80%	0.798	S	S	*	*			trans	-73	119.7	-177.6	-73.2	-176.1	138.1	0	0	113.3
21	K	46.8	Very low	50.5	Low	204 Å²	204	143.6 Å²	143.6	89%	0.887	78%	0.778	S	S	*	*	S	Bend	trans	170.1	97.9	132.1	-96.4	170.9	-176.9	174	0	113.4
22	N	42.4	Very low	52.8	Low	137 Å²	137	141.3 Å²	141.3	73%	0.733	77%	0.767	S	S	*	*			trans	138.9	88.3	153.2	-94.4	-23.1	0	0	0	108.2	R24	N22-R24 PolarHBondContact O-N 3.38Å
23	Q	52.8	Low	55.2	Low	199 Å²	199	141.4 Å²	141.4	93%	0.93	76%	0.76	S	S	*	*			trans	-69.9	78.6	168.5	-80.7	178.5	-11.3	0	0	109.4
24	R	56.4	Low	57.6	Low	206 Å²	206	136.2 Å²	136.2	78%	0.777	75%	0.745	S	S	*	*			trans	-86	103	158.9	-74.4	-178.1	178.7	175.9	-0.2	106.9	N22 I26	N22-R24 PolarHBondContact O-N 3.38Å; R24-I26 PolarHBondContact O-N 3.14Å
25	T	54.3	Low	59.9	Low	126 Å²	126	135.8 Å²	135.8	77%	0.773	74%	0.737	S	S	*	*			trans	-75.5	93.4	170.3	-16.5	0	0	0	0	108	T27	T25-T27 PolarHBondContact O-N 3.43Å
26	I	66.3	Low	62.2	Low	143 Å²	143	128.2 Å²	128.2	73%	0.733	71%	0.708	S	S	*	*			trans	-73.1	108.5	172.9	-59.3	175.2	0	0	0	106.9	R24 V28	R24-I26 PolarHBondContact O-N 3.14Å; I26-V28 HydrophobicContact CG2-CG2 4Å
27	T	72.6	Confident	64.6	Low	128 Å²	128	126.9 Å²	126.9	79%	0.785	68%	0.684	S	S	*	*			trans	-94.7	107.1	177.6	-41.4	0	0	0	0	108.2	T25	T25-T27 PolarHBondContact O-N 3.43Å
28	V	72.8	Confident	67.1	Low	108 Å²	108	129.7 Å²	129.7	66%	0.655	67%	0.674	S	S	*	*			trans	-95.6	114.6	175.7	-176.5	0	0	0	0	108.2	I26 P30	I26-V28 HydrophobicContact CG2-CG2 4Å; V28-P30 VanDerWaalsContact O-CD 3.22Å; V28-P30 WeakPolarHBondContact O-CD 3.43Å
29	N	79	Confident	69.2	Low	94 Å²	94	125.8 Å²	125.8	50%	0.503	66%	0.656	S	S	.	*			trans	-94.8	102.2	172.8	-176.8	-9.9	0	0	0	109.7	A31 H32	N29-A31 PolarHBondContact O-N 3.07Å; N29-A31 WeakPolarHBondContact OD1-CB 3.49Å; N29-A31 PolarHBondContact OD1-N 3.37Å; N29-H32 HydrophobicContact CB-CB 4.17Å; N29-H32 WeakPolarHBondContact O-CB 3.38Å; N29-H32 PolarHBondContact O-N 3.22Å; N29-H32 VanDerWaalsContact O-N 3.14Å
30	P	73.7	Confident	71.5	Confident	115 Å²	115	120.3 Å²	120.3	75%	0.747	63%	0.626	S	S	*	*	H	α-helix	trans	-64.4	-22	-177.5	25.1	-33.3	0	0	0	113.1	V28	V28-P30 VanDerWaalsContact O-CD 3.22Å; V28-P30 WeakPolarHBondContact O-CD 3.43Å
31	A	78.4	Confident	73.2	Confident	47 Å²	47	113 Å²	113	39%	0.388	59%	0.593	S	S	.	*	H	α-helix	trans	-84.5	-9.8	179.3	0	0	0	0	0	113.8	N29 K35	N29-A31 PolarHBondContact O-N 3.07Å; N29-A31 WeakPolarHBondContact OD1-CB 3.49Å; N29-A31 PolarHBondContact OD1-N 3.37Å; A31-K35 WeakPolarHBondContact O-CG 3.4Å; A31-K35 PolarHBondContact O-N 2.94Å; A31-K35 VanDerWaalsContact O-N 3.14Å
32	H	82.6	Confident	75.1	Confident	126 Å²	126	107.8 Å²	107.8	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-46	-177.5	179.6	-95.7	0	0	0	111.8	N29 K35 A36	N29-H32 HydrophobicContact CB-CB 4.17Å; N29-H32 WeakPolarHBondContact O-CB 3.38Å; N29-H32 PolarHBondContact O-N 3.22Å; N29-H32 VanDerWaalsContact O-N 3.14Å; H32-K35 PolarHBondContact O-N 3.16Å; H32-A36 PolarHBondContact O-N 3.43Å
33	M	80.9	Confident	77.2	Confident	131 Å²	131	103.6 Å²	103.6	65%	0.645	55%	0.548	S	S	*	.	H	α-helix	trans	-64.5	-48.4	-178.3	-58.3	179	-162.5	0	0	111.1	K35 A36 F37	M33-K35 VanDerWaalsContact C-N 3.35Å; M33-K35 PolarHBondContact O-N 3.14Å; M33-A36 PolarHBondContact O-N 3.04Å; M33-A36 VanDerWaalsContact O-N 3.16Å; M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 2.88Å
34	G	80.2	Confident	78.8	Confident	50 Å²	50	95.4 Å²	95.4	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-39	178	0	0	0	0	0	113.6	K38	G34-K38 WeakPolarHBondContact O-CB 3.44Å; G34-K38 PolarHBondContact O-N 3.05Å
35	K	82.2	Confident	80.2	Confident	146 Å²	146	90 Å²	90	64%	0.635	50%	0.503	S	S	*	.	H	α-helix	trans	-65.2	-40.5	174.6	-74.4	-179.3	-172.1	-175.2	0	112.3	A31 H32 M33 K38 V39	A31-K35 WeakPolarHBondContact O-CG 3.4Å; A31-K35 PolarHBondContact O-N 2.94Å; A31-K35 VanDerWaalsContact O-N 3.14Å; H32-K35 PolarHBondContact O-N 3.16Å; M33-K35 VanDerWaalsContact C-N 3.35Å; M33-K35 PolarHBondContact O-N 3.14Å; K35-K38 PolarHBondContact O-N 3.43Å; K35-V39 WeakPolarHBondContact O-CG2 3.35Å; K35-V39 PolarHBondContact O-N 3.47Å; K35-V39 VanDerWaalsContact O-N 3.14Å
36	A	84.7	Confident	81.7	Confident	38 Å²	38	90.6 Å²	90.6	31%	0.314	49%	0.494	S	S	.	.	H	α-helix	trans	-64.3	-46.2	177.8	0	0	0	0	0	111.6	H32 M33 K38 V39 M40	H32-A36 PolarHBondContact O-N 3.43Å; M33-A36 PolarHBondContact O-N 3.04Å; M33-A36 VanDerWaalsContact O-N 3.16Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.31Å; A36-V39 PolarHBondContact O-N 3.02Å; A36-M40 HydrophobicContact CB-CE 4.28Å; A36-M40 WeakPolarHBondContact O-CG 3.43Å; A36-M40 PolarHBondContact O-N 3.43Å
37	F	85.8	Confident	82.6	Confident	68 Å²	68	90.1 Å²	90.1	30%	0.298	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-37.5	176.3	-88.6	-88.4	0	0	0	112.8	M33 V39 M40 N41 V67	M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 2.88Å; F37-V39 PolarHBondContact O-N 2.97Å; F37-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CE 4.03Å; F37-M40 HydrophobicContact CD2-CE 3.92Å; F37-M40 HydrophobicContact CE1-CE 4.27Å; F37-M40 HydrophobicContact CE2-CE 4.15Å; F37-M40 HydrophobicContact CG-CE 3.85Å; F37-M40 HydrophobicContact CZ-CE 4.33Å; F37-M40 PolarHBondContact O-N 3.42Å; F37-N41 PolarHBondContact O-N 3.18Å; F37-V67 HydrophobicContact CE1-CG1 3.99Å
38	K	85.6	Confident	82.9	Confident	139 Å²	139	88.3 Å²	88.3	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-60.2	-45.2	173.5	-170.7	172.8	-178.4	172.5	0	112.4	G34 K35 A36 N41 E42	G34-K38 WeakPolarHBondContact O-CB 3.44Å; G34-K38 PolarHBondContact O-N 3.05Å; K35-K38 PolarHBondContact O-N 3.43Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.31Å; K38-N41 PolarHBondContact O-N 3.44Å; K38-E42 WeakPolarHBondContact O-CG 3.34Å; K38-E42 PolarHBondContact O-N 3.22Å
39	V	85.4	Confident	83.4	Confident	80 Å²	80	89.9 Å²	89.9	49%	0.485	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-40.3	175.6	174.9	0	0	0	0	111.1	K35 A36 F37 N41 E42 L43	K35-V39 WeakPolarHBondContact O-CG2 3.35Å; K35-V39 PolarHBondContact O-N 3.47Å; K35-V39 VanDerWaalsContact O-N 3.14Å; A36-V39 PolarHBondContact O-N 3.02Å; F37-V39 PolarHBondContact O-N 2.97Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.39Å; V39-E42 PolarHBondContact O-N 3.24Å; V39-L43 HydrophobicContact CG1-CD1 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.27Å; V39-L43 PolarHBondContact O-N 3.33Å
40	M	87.1	Confident	83.6	Confident	55 Å²	55	86.5 Å²	86.5	27%	0.271	46%	0.462	S	S	.	.	H	α-helix	trans	-62.8	-36.7	176	-71	-173.7	-81.1	0	0	112.3	A36 F37 L43 R44 V67 Y109	A36-M40 HydrophobicContact CB-CE 4.28Å; A36-M40 WeakPolarHBondContact O-CG 3.43Å; A36-M40 PolarHBondContact O-N 3.43Å; F37-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CE 4.03Å; F37-M40 HydrophobicContact CD2-CE 3.92Å; F37-M40 HydrophobicContact CE1-CE 4.27Å; F37-M40 HydrophobicContact CE2-CE 4.15Å; F37-M40 HydrophobicContact CG-CE 3.85Å; F37-M40 HydrophobicContact CZ-CE 4.33Å; F37-M40 PolarHBondContact O-N 3.42Å; M40-L43 PolarHBondContact O-N 3.18Å; M40-R44 PolarHBondContact O-N 2.97Å; M40-V67 HydrophobicContact SD-CG2 3.8Å; M40-Y109 HydrophobicContact CB-CD1 4.39Å; M40-Y109 HydrophobicContact CB-CE1 4.34Å
41	N	87.1	Confident	84.3	Confident	34 Å²	34	84.3 Å²	84.3	18%	0.182	44%	0.444	C	S	.	.	H	α-helix	trans	-67.4	-41.9	173.6	-165.3	30.2	0	0	0	112	F37 K38 V39 L43 R44 S45 Y109	F37-N41 PolarHBondContact O-N 3.18Å; K38-N41 PolarHBondContact O-N 3.44Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.39Å; N41-L43 VanDerWaalsContact C-N 3.29Å; N41-L43 PolarHBondContact O-N 3.27Å; N41-R44 WeakPolarHBondContact O-CB 3.38Å; N41-R44 PolarHBondContact O-N 3.18Å; N41-R44 PolarHBondContact OD1-NE 3.23Å; N41-R44 PolarHBondContact OD1-NH2 3.3Å; N41-S45 PolarHBondContact O-N 3.06Å; N41-S45 PolarHBondContact O-OG 3.26Å; N41-Y109 HydrophobicContact CB-CD1 4.17Å; N41-Y109 HydrophobicContact CB-CG 4.48Å
42	E	86.6	Confident	84.7	Confident	93 Å²	93	82.3 Å²	82.3	44%	0.435	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-36.1	175	-72.6	177.5	-165.2	0	0	112.6	K38 V39 K46	K38-E42 WeakPolarHBondContact O-CG 3.34Å; K38-E42 PolarHBondContact O-N 3.22Å; V39-E42 PolarHBondContact O-N 3.24Å; E42-K46 WeakPolarHBondContact O-CG 3.22Å; E42-K46 PolarHBondContact O-N 2.98Å
43	L	86.4	Confident	85	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-42	174	-70.5	171.6	0	0	0	111.4	V39 M40 N41 K46 Q47 L48 L49	V39-L43 HydrophobicContact CG1-CD1 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.27Å; V39-L43 PolarHBondContact O-N 3.33Å; M40-L43 PolarHBondContact O-N 3.18Å; N41-L43 VanDerWaalsContact C-N 3.29Å; N41-L43 PolarHBondContact O-N 3.27Å; L43-K46 CarbonylContact O-C 3.54Å; L43-K46 PolarHBondContact O-N 3.12Å; L43-Q47 PolarHBondContact O-N 3.19Å; L43-Q47 VanDerWaalsContact O-N 3.12Å; L43-L48 HydrophobicContact CD2-CB 4.02Å; L43-L48 HydrophobicContact CD2-CD1 4.26Å; L43-L48 PolarHBondContact O-N 3.04Å; L43-L49 HydrophobicContact CD1-CD1 4.43Å
44	R	87.6	Confident	85.3	Confident	28 Å²	28	72.1 Å²	72.1	11%	0.106	38%	0.378	C	S	.	.	H	α-helix	trans	-58.6	-48.8	174	-174.9	-174.5	64.5	129.1	-1	111.5	M40 N41 K46 Q47 E62 D106 Y109	M40-R44 PolarHBondContact O-N 2.97Å; N41-R44 WeakPolarHBondContact O-CB 3.38Å; N41-R44 PolarHBondContact O-N 3.18Å; N41-R44 PolarHBondContact OD1-NE 3.23Å; N41-R44 PolarHBondContact OD1-NH2 3.3Å; R44-K46 PolarHBondContact O-N 3.18Å; R44-Q47 PolarHBondContact O-N 3Å; R44-E62 VanDerWaalsContact CG-O 3.28Å; R44-E62 WeakPolarHBondContact CG-O 3.24Å; R44-D106 IonicContact CZ-OD1 3.16Å; R44-D106 IonicContact NH1-OD1 2.75Å; R44-D106 PolarHBondContact NH1-OD1 2.96Å; R44-D106 IonicContact NH2-OD1 2.67Å; R44-D106 PolarHBondContact NH2-OD1 2.78Å; R44-Y109 HydrophobicContact CB-CE1 4.32Å
45	S	85	Confident	85.7	Confident	92 Å²	92	70.3 Å²	70.3	64%	0.643	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-24.8	178.9	-57	0	0	0	0	113.6	N41	N41-S45 PolarHBondContact O-N 3.06Å; N41-S45 PolarHBondContact O-OG 3.26Å
46	K	85.8	Confident	85.9	Confident	138 Å²	138	63.4 Å²	63.4	60%	0.6	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.7	175.8	-68.1	175.2	-176.1	168.6	0	113.4	E42 L43 R44 L48	E42-K46 WeakPolarHBondContact O-CG 3.22Å; E42-K46 PolarHBondContact O-N 2.98Å; L43-K46 CarbonylContact O-C 3.54Å; L43-K46 PolarHBondContact O-N 3.12Å; R44-K46 PolarHBondContact O-N 3.18Å; K46-L48 HydrophobicContact CB-CD1 3.81Å; K46-L48 HydrophobicContact CB-CG 3.9Å; K46-L48 HydrophobicContact CD-CD1 4.15Å; K46-L48 PolarHBondContact O-N 2.74Å
47	Q	85	Confident	85.8	Confident	134 Å²	134	67.9 Å²	67.9	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.1	-175.9	-62	178.7	-19.2	0	0	112.8	L43 R44 E62	L43-Q47 PolarHBondContact O-N 3.19Å; L43-Q47 VanDerWaalsContact O-N 3.12Å; R44-Q47 PolarHBondContact O-N 3Å; Q47-E62 VanDerWaalsContact CB-OE2 3.24Å; Q47-E62 WeakPolarHBondContact CB-OE2 3.42Å; Q47-E62 VanDerWaalsContact CG-OE2 3.27Å; Q47-E62 WeakPolarHBondContact CG-OE2 3.49Å
48	L	78.8	Confident	85.7	Confident	89 Å²	89	72.4 Å²	72.4	47%	0.466	37%	0.369	S	S	.	.			trans	-101.1	127.5	-179.6	-68	173.1	0	0	0	109.5	L43 K46 C50 H64	L43-L48 HydrophobicContact CD2-CB 4.02Å; L43-L48 HydrophobicContact CD2-CD1 4.26Å; L43-L48 PolarHBondContact O-N 3.04Å; K46-L48 HydrophobicContact CB-CD1 3.81Å; K46-L48 HydrophobicContact CB-CG 3.9Å; K46-L48 HydrophobicContact CD-CD1 4.15Å; K46-L48 PolarHBondContact O-N 2.74Å; L48-C50 PolarHBondContact O-N 2.85Å; L48-H64 PolarHBondContact O-NE2 3.27Å
49	L	83.3	Confident	85.8	Confident	141 Å²	141	68.1 Å²	68.1	74%	0.738	36%	0.355	S	S	*	.	S	Bend	trans	66.7	11	179.9	-51.4	173.2	0	0	0	115.3	L43 D51 H64	L43-L49 HydrophobicContact CD1-CD1 4.43Å; L49-D51 PolarHBondContact O-N 3.18Å; L49-H64 PolarHBondContact O-CD2 2.98Å
50	C	84.3	Confident	86	Confident	23 Å²	23	69.6 Å²	69.6	16%	0.155	36%	0.356	C	S	.	.			trans	-65.2	126.2	171.7	-60.5	0	0	0	0	111	L48 E62	L48-C50 PolarHBondContact O-N 2.85Å; C50-E62 HydrophobicContact CB-CB 3.97Å
51	D	87.4	Confident	86	Confident	70 Å²	70	67.7 Å²	67.7	37%	0.374	35%	0.347	S	S	.	.			trans	-115.1	-1.9	-175.6	61.9	-7.6	0	0	0	113.1	L49 A63 H64 R65	L49-D51 PolarHBondContact O-N 3.18Å; D51-A63 PolarHBondContact N-O 3.14Å; D51-H64 VanDerWaalsContact OD1-CA 3.26Å; D51-H64 WeakPolarHBondContact OD1-CA 3.22Å; D51-R65 WeakPolarHBondContact OD1-CG 3.26Å; D51-R65 PolarHBondContact OD1-N 2.92Å
52	V	87.4	Confident	86.1	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.5	174.2	65.7	0	0	0	0	111.8	I54 A63 R65 L68 F79 I91	V52-I54 HydrophobicContact CG2-CD1 3.79Å; V52-A63 HydrophobicContact CG1-CB 4.22Å; V52-A63 WeakPolarHBondContact CG1-O 3.4Å; V52-A63 PolarHBondContact N-O 3.44Å; V52-A63 PolarHBondContact O-N 3.47Å; V52-R65 HydrophobicContact CB-CG 3.72Å; V52-R65 HydrophobicContact CG1-CG 3.68Å; V52-L68 HydrophobicContact CG1-CD1 4.19Å; V52-F79 HydrophobicContact CG1-CZ 4.46Å; V52-F79 HydrophobicContact CG2-CE1 4.4Å; V52-F79 HydrophobicContact CG2-CZ 4.43Å; V52-I91 HydrophobicContact CG2-CD1 3.85Å; V52-I91 HydrophobicContact CG2-CG1 4.34Å
53	M	88.4	Confident	86.3	Confident	43 Å²	43	64.3 Å²	64.3	21%	0.212	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.1	169.3	-178.9	-179.7	-76.6	0	0	108.5	V55 E60 I61 E62 K89 K90 I91	M53-V55 HydrophobicContact CG-CG2 4.2Å; M53-E60 HydrophobicContact CG-CB 4.39Å; M53-E60 HydrophobicContact SD-CB 4.24Å; M53-I61 CarbonylContact C-O 3.59Å; M53-I61 WeakPolarHBondContact CA-O 3.28Å; M53-E62 HydrophobicContact CE-CG 4.01Å; M53-K89 PolarHBondContact N-O 3.25Å; M53-K90 CarbonylContact O-C 3.58Å; M53-K90 WeakPolarHBondContact O-CA 3.42Å; M53-K90 HydrophobicContact SD-CG 4.46Å; M53-I91 PolarHBondContact O-N 3.23Å
54	I	88.4	Confident	86.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.3	175.1	-52.1	-61.8	0	0	0	108	V52 I61 L68 F75 I91 I93 L101 I105	V52-I54 HydrophobicContact CG2-CD1 3.79Å; I54-I61 PolarHBondContact N-O 3.34Å; I54-I61 PolarHBondContact O-N 3Å; I54-L68 HydrophobicContact CD1-CD1 4.35Å; I54-L68 HydrophobicContact CG1-CD1 4.13Å; I54-F75 HydrophobicContact CD1-CE1 4.26Å; I54-I91 CarbonylContact C-O 3.57Å; I54-I91 WeakPolarHBondContact CA-O 3.38Å; I54-I91 HydrophobicContact CD1-CB 4.15Å; I54-I91 HydrophobicContact CD1-CD1 4.49Å; I54-I93 HydrophobicContact CG2-CD1 3.57Å; I54-I93 HydrophobicContact CG2-CG1 3.85Å; I54-L101 HydrophobicContact CG2-CD2 3.68Å; I54-I105 HydrophobicContact CB-CD1 4.34Å; I54-I105 HydrophobicContact CG1-CD1 4.45Å
55	V	86.8	Confident	86.6	Confident	13 Å²	13	63.6 Å²	63.6	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	178.2	-178.7	0	0	0	0	109.5	M53 V59 E60 K90 I91 E92 I93	M53-V55 HydrophobicContact CG-CG2 4.2Å; V55-V59 WeakPolarHBondContact CA-O 3.39Å; V55-E60 HydrophobicContact CG1-CG 4.41Å; V55-E60 HydrophobicContact CG2-CB 4.27Å; V55-E60 HydrophobicContact CG2-CG 3.84Å; V55-K90 HydrophobicContact CG2-CD 4.28Å; V55-K90 HydrophobicContact CG2-CG 3.97Å; V55-I91 PolarHBondContact N-O 3.16Å; V55-E92 CarbonylContact O-C 3.46Å; V55-E92 VanDerWaalsContact O-CA 3.3Å; V55-E92 WeakPolarHBondContact O-CA 3.44Å; V55-I93 PolarHBondContact O-N 3.38Å
56	A	86.4	Confident	86.7	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.5	166.1	0	0	0	0	0	107.6	D58 V59 L101	A56-D58 PolarHBondContact O-N 2.67Å; A56-V59 PolarHBondContact N-O 3.5Å; A56-V59 VanDerWaalsContact N-O 3.17Å; A56-V59 PolarHBondContact O-N 2.75Å; A56-L101 HydrophobicContact CB-CB 4.27Å; A56-L101 HydrophobicContact CB-CD2 3.42Å; A56-L101 VanDerWaalsContact CB-CD2 3.42Å; A56-L101 HydrophobicContact CB-CG 4.5Å
57	E	84.3	Confident	86.8	Confident	131 Å²	131	57.8 Å²	57.8	61%	0.612	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-119.3	-173.1	-57.4	177.7	147.2	0	0	111.4	G98	E57-G98 PolarHBondContact OE2-N 2.99Å
58	D	81.9	Confident	87	Confident	164 Å²	164	51.4 Å²	51.4	88%	0.877	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	4	-179.1	-65.5	-38.5	0	0	0	113.6	A56	A56-D58 PolarHBondContact O-N 2.67Å
59	V	87.8	Confident	87.4	Confident	49 Å²	49	48.2 Å²	48.2	30%	0.297	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.4	-175.3	-174.4	0	0	0	0	110.7	V55 A56 I61	V55-V59 WeakPolarHBondContact CA-O 3.39Å; A56-V59 PolarHBondContact N-O 3.5Å; A56-V59 VanDerWaalsContact N-O 3.17Å; A56-V59 PolarHBondContact O-N 2.75Å; V59-I61 HydrophobicContact CG1-CD1 4.12Å; V59-I61 HydrophobicContact CG1-CG1 3.88Å
60	E	89.5	Confident	87.6	Confident	111 Å²	111	45.3 Å²	45.3	52%	0.519	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.1	175.6	-56.1	-167	151.2	0	0	110.9	M53 V55 K90	M53-E60 HydrophobicContact CG-CB 4.39Å; M53-E60 HydrophobicContact SD-CB 4.24Å; V55-E60 HydrophobicContact CG1-CG 4.41Å; V55-E60 HydrophobicContact CG2-CB 4.27Å; V55-E60 HydrophobicContact CG2-CG 3.84Å; E60-K90 WeakPolarHBondContact OE1-CE 3.29Å; E60-K90 IonicContact OE1-NZ 2.65Å; E60-K90 PolarHBondContact OE1-NZ 3.15Å
61	I	88.4	Confident	87.7	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.6	-174.6	-53.1	168	0	0	0	109.6	M53 I54 V59 L101 I105	M53-I61 CarbonylContact C-O 3.59Å; M53-I61 WeakPolarHBondContact CA-O 3.28Å; I54-I61 PolarHBondContact N-O 3.34Å; I54-I61 PolarHBondContact O-N 3Å; V59-I61 HydrophobicContact CG1-CD1 4.12Å; V59-I61 HydrophobicContact CG1-CG1 3.88Å; I61-L101 HydrophobicContact CD1-CG 4.33Å; I61-I105 HydrophobicContact CB-CD1 4.19Å; I61-I105 HydrophobicContact CD1-CD1 3.86Å; I61-I105 HydrophobicContact CG2-CD1 3.89Å; I61-I105 HydrophobicContact CG2-CG2 4.17Å
62	E	89.6	Confident	87.8	Confident	55 Å²	55	43.3 Å²	43.3	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.2	171.7	-64.3	-157.2	161.8	0	0	111.6	R44 Q47 C50 M53	R44-E62 VanDerWaalsContact CG-O 3.28Å; R44-E62 WeakPolarHBondContact CG-O 3.24Å; Q47-E62 VanDerWaalsContact CB-OE2 3.24Å; Q47-E62 WeakPolarHBondContact CB-OE2 3.42Å; Q47-E62 VanDerWaalsContact CG-OE2 3.27Å; Q47-E62 WeakPolarHBondContact CG-OE2 3.49Å; C50-E62 HydrophobicContact CB-CB 3.97Å; M53-E62 HydrophobicContact CE-CG 4.01Å
63	A	90.4	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	173.8	-177.3	0	0	0	0	0	112.4	D51 V52 L68	D51-A63 PolarHBondContact N-O 3.14Å; V52-A63 HydrophobicContact CG1-CB 4.22Å; V52-A63 WeakPolarHBondContact CG1-O 3.4Å; V52-A63 PolarHBondContact N-O 3.44Å; V52-A63 PolarHBondContact O-N 3.47Å; A63-L68 HydrophobicContact CB-CD1 3.79Å; A63-L68 HydrophobicContact CB-CG 4.23Å
64	H	91.1	Very high	87.9	Confident	18 Å²	18	47.5 Å²	47.5	8%	0.083	26%	0.263	C	S	.	.			trans	-102.5	123.1	173.9	-52.4	90.4	0	0	0	110.4	L48 L49 D51 V66 V67 L68 Y109	L48-H64 PolarHBondContact O-NE2 3.27Å; L49-H64 PolarHBondContact O-CD2 2.98Å; D51-H64 VanDerWaalsContact OD1-CA 3.26Å; D51-H64 WeakPolarHBondContact OD1-CA 3.22Å; H64-V66 VanDerWaalsContact C-N 3.26Å; H64-V66 HydrophobicContact CB-CG1 4.4Å; H64-V66 PolarHBondContact O-N 3.48Å; H64-V67 HydrophobicContact CB-CB 4.22Å; H64-V67 HydrophobicContact CB-CG2 3.85Å; H64-V67 PolarHBondContact O-N 3.36Å; H64-V67 VanDerWaalsContact O-N 3.14Å; H64-L68 PolarHBondContact O-N 2.69Å; H64-L68 VanDerWaalsContact O-N 3.14Å; H64-Y109 WeakPolarHBondContact CB-OH 3.27Å; H64-Y109 PolarHBondContact N-OH 3.29Å; H64-Y109 AromaticContact ND1-CE1 3.75Å; H64-Y109 AromaticContact ND1-CZ 3.8Å; H64-Y109 PolarHBondContact ND1-OH 3.14Å
65	R	88.4	Confident	87.9	Confident	44 Å²	44	47.5 Å²	47.5	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-42.2	178.5	-72.6	169.1	158.8	-115.6	-3.2	112.3	D51 V52 V67 L68 A69 F79 E85 S86 A88	D51-R65 WeakPolarHBondContact OD1-CG 3.26Å; D51-R65 PolarHBondContact OD1-N 2.92Å; V52-R65 HydrophobicContact CB-CG 3.72Å; V52-R65 HydrophobicContact CG1-CG 3.68Å; R65-V67 VanDerWaalsContact C-N 3.34Å; R65-V67 PolarHBondContact O-N 2.77Å; R65-L68 PolarHBondContact O-N 3.32Å; R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.32Å; R65-A69 PolarHBondContact O-N 2.85Å; R65-F79 HydrophobicContact CB-CD2 3.97Å; R65-F79 HydrophobicContact CB-CE2 4.11Å; R65-F79 HydrophobicContact CB-CG 4.37Å; R65-F79 HydrophobicContact CG-CD1 4.33Å; R65-F79 HydrophobicContact CG-CD2 4.22Å; R65-F79 HydrophobicContact CG-CE1 4.24Å; R65-F79 HydrophobicContact CG-CE2 4.13Å; R65-F79 HydrophobicContact CG-CG 4.34Å; R65-F79 HydrophobicContact CG-CZ 4.15Å; R65-E85 PolarHBondContact NH2-O 3.34Å; R65-S86 VanDerWaalsContact CZ-O 3.3Å; R65-S86 PolarHBondContact NH1-O 3.03Å; R65-S86 PolarHBondContact NH2-O 2.81Å; R65-A88 PolarHBondContact NH2-O 2.71Å
66	V	87.4	Confident	87.8	Confident	104 Å²	104	49.1 Å²	49.1	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-63.9	-38.2	-178.8	69.3	0	0	0	0	112.4	H64 A70	H64-V66 VanDerWaalsContact C-N 3.26Å; H64-V66 HydrophobicContact CB-CG1 4.4Å; H64-V66 PolarHBondContact O-N 3.48Å; V66-A70 VanDerWaalsContact O-CB 3.22Å; V66-A70 WeakPolarHBondContact O-CB 3.44Å; V66-A70 PolarHBondContact O-N 3.27Å
67	V	88.1	Confident	87.8	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-72.7	-44.7	-179	-179.6	0	0	0	0	110.1	F37 M40 H64 R65 A70 C71 I108 Y109	F37-V67 HydrophobicContact CE1-CG1 3.99Å; M40-V67 HydrophobicContact SD-CG2 3.8Å; H64-V67 HydrophobicContact CB-CB 4.22Å; H64-V67 HydrophobicContact CB-CG2 3.85Å; H64-V67 PolarHBondContact O-N 3.36Å; H64-V67 VanDerWaalsContact O-N 3.14Å; R65-V67 VanDerWaalsContact C-N 3.34Å; R65-V67 PolarHBondContact O-N 2.77Å; V67-A70 PolarHBondContact O-N 2.87Å; V67-C71 PolarHBondContact O-N 3.13Å; V67-C71 PolarHBondContact O-SG 3.11Å; V67-C71 VanDerWaalsContact O-SG 3.34Å; V67-I108 HydrophobicContact CG1-CG2 3.82Å; V67-Y109 HydrophobicContact CB-CE1 4.14Å; V67-Y109 HydrophobicContact CG1-CD1 4.14Å; V67-Y109 HydrophobicContact CG1-CD2 4.43Å; V67-Y109 HydrophobicContact CG1-CE1 3.75Å; V67-Y109 HydrophobicContact CG1-CE2 4.04Å; V67-Y109 HydrophobicContact CG1-CG 4.47Å; V67-Y109 HydrophobicContact CG2-CE1 4.1Å
68	L	88.4	Confident	87.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-46.5	175.8	-69.1	-179.9	0	0	0	111.8	V52 I54 A63 H64 R65 A70 C71 S72 F75 F79 I105 I108	V52-L68 HydrophobicContact CG1-CD1 4.19Å; I54-L68 HydrophobicContact CD1-CD1 4.35Å; I54-L68 HydrophobicContact CG1-CD1 4.13Å; A63-L68 HydrophobicContact CB-CD1 3.79Å; A63-L68 HydrophobicContact CB-CG 4.23Å; H64-L68 PolarHBondContact O-N 2.69Å; H64-L68 VanDerWaalsContact O-N 3.14Å; R65-L68 PolarHBondContact O-N 3.32Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.16Å; L68-C71 PolarHBondContact O-N 3.34Å; L68-S72 WeakPolarHBondContact O-CB 3.41Å; L68-S72 PolarHBondContact O-N 3.07Å; L68-F75 HydrophobicContact CB-CB 3.99Å; L68-F75 HydrophobicContact CB-CD2 3.91Å; L68-F75 HydrophobicContact CB-CG 3.97Å; L68-F75 HydrophobicContact CD2-CD2 4.16Å; L68-F75 HydrophobicContact CD2-CE2 4.11Å; L68-F75 HydrophobicContact CG-CD2 4.44Å; L68-F79 HydrophobicContact CB-CE2 3.87Å; L68-F79 HydrophobicContact CD1-CE2 4.19Å; L68-F79 HydrophobicContact CD1-CZ 4.23Å; L68-I105 HydrophobicContact CD2-CG1 4.38Å; L68-I105 HydrophobicContact CD2-CG2 4.48Å; L68-I108 HydrophobicContact CD2-CD1 3.61Å; L68-I108 HydrophobicContact CD2-CG2 4.26Å
69	A	87.8	Confident	87.9	Confident	22 Å²	22	40 Å²	40	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-36.6	177.1	0	0	0	0	0	113.1	R65 C71 C76 F79	R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.32Å; R65-A69 PolarHBondContact O-N 2.85Å; A69-C71 VanDerWaalsContact C-N 3.31Å; A69-C71 PolarHBondContact O-N 3.44Å; A69-C76 HydrophobicContact CB-CB 4.2Å; A69-C76 WeakPolarHBondContact O-CB 3.41Å; A69-F79 HydrophobicContact CB-CD2 4.16Å
70	A	87.3	Confident	87.6	Confident	79 Å²	79	42.7 Å²	42.7	65%	0.653	25%	0.253	S	S	*	.	H	α-helix	trans	-68.1	-32.1	-179.3	0	0	0	0	0	112.7	V66 V67 L68	V66-A70 VanDerWaalsContact O-CB 3.22Å; V66-A70 WeakPolarHBondContact O-CB 3.44Å; V66-A70 PolarHBondContact O-N 3.27Å; V67-A70 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.16Å
71	C	86.8	Confident	86.9	Confident	50 Å²	50	38.5 Å²	38.5	34%	0.338	24%	0.239	S	C	.	.	H	α-helix	trans	-104.5	-15.5	-172.6	-53	0	0	0	0	113.8	V67 L68 A69 I108 L132	V67-C71 PolarHBondContact O-N 3.13Å; V67-C71 PolarHBondContact O-SG 3.11Å; V67-C71 VanDerWaalsContact O-SG 3.34Å; L68-C71 PolarHBondContact O-N 3.34Å; A69-C71 VanDerWaalsContact C-N 3.31Å; A69-C71 PolarHBondContact O-N 3.44Å; C71-I108 HydrophobicContact CB-CG1 4.26Å; C71-I108 HydrophobicContact CB-CG2 3.81Å; C71-L132 WeakPolarHBondContact O-CD2 3.38Å
72	S	90.4	Very high	85.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	28%	0.281	C	S	.	.			trans	-131.9	118.6	-179.8	166.1	0	0	0	0	110.3	L68 Y74 F75 C76 L130	L68-S72 WeakPolarHBondContact O-CB 3.41Å; L68-S72 PolarHBondContact O-N 3.07Å; S72-Y74 PolarHBondContact O-N 3.36Å; S72-Y74 PolarHBondContact OG-N 2.88Å; S72-F75 PolarHBondContact O-N 2.81Å; S72-F75 WeakPolarHBondContact OG-CD2 3.45Å; S72-F75 PolarHBondContact OG-N 3.43Å; S72-C76 PolarHBondContact O-N 3.27Å; S72-L130 PolarHBondContact OG-O 2.86Å
73	P	88.6	Confident	84.9	Confident	71 Å²	71	48.9 Å²	48.9	46%	0.461	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-27.9	176	-15.3	25.6	0	0	0	112.8	C76 A77 Q131	P73-C76 WeakPolarHBondContact O-CB 3.43Å; P73-C76 PolarHBondContact O-N 3.42Å; P73-A77 WeakPolarHBondContact O-CB 3.41Å; P73-A77 PolarHBondContact O-N 3.17Å; P73-Q131 HydrophobicContact CG-CB 4.3Å
74	Y	88.9	Confident	83.6	Confident	65 Å²	65	53.5 Å²	53.5	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-52	172.6	176.2	-97.4	0	0	0	111.4	S72 C76 A77 M78 L130	S72-Y74 PolarHBondContact O-N 3.36Å; S72-Y74 PolarHBondContact OG-N 2.88Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; Y74-C76 PolarHBondContact O-N 2.84Å; Y74-A77 PolarHBondContact O-N 2.65Å; Y74-M78 HydrophobicContact CD1-CE 4.26Å; Y74-M78 HydrophobicContact CE1-CE 3.34Å; Y74-M78 HydrophobicContact CE2-CE 4.45Å; Y74-M78 VanDerWaalsContact CZ-CE 3.45Å; Y74-M78 WeakPolarHBondContact O-CB 3.35Å; Y74-M78 PolarHBondContact O-N 2.84Å; Y74-M78 VanDerWaalsContact OH-CE 3.29Å; Y74-M78 WeakPolarHBondContact OH-CE 3.44Å; Y74-L130 HydrophobicContact CD1-CD2 3.6Å; Y74-L130 HydrophobicContact CE1-CD2 3.82Å; Y74-L130 HydrophobicContact CG-CD2 4.4Å
75	F	87.9	Confident	82.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-34.8	176.2	-72.7	-54.6	0	0	0	112.4	I54 L68 S72 M78 F79 I93 I108 L130	I54-F75 HydrophobicContact CD1-CE1 4.26Å; L68-F75 HydrophobicContact CB-CB 3.99Å; L68-F75 HydrophobicContact CB-CD2 3.91Å; L68-F75 HydrophobicContact CB-CG 3.97Å; L68-F75 HydrophobicContact CD2-CD2 4.16Å; L68-F75 HydrophobicContact CD2-CE2 4.11Å; L68-F75 HydrophobicContact CG-CD2 4.44Å; S72-F75 PolarHBondContact O-N 2.81Å; S72-F75 WeakPolarHBondContact OG-CD2 3.45Å; S72-F75 PolarHBondContact OG-N 3.43Å; F75-M78 HydrophobicContact CD1-SD 4.33Å; F75-M78 PolarHBondContact O-N 3.35Å; F75-F79 HydrophobicContact CB-CD2 4.18Å; F75-F79 HydrophobicContact CB-CE2 3.8Å; F75-F79 HydrophobicContact CB-CZ 4.47Å; F75-F79 HydrophobicContact CD1-CE2 4.11Å; F75-F79 AromaticContact CD1-CZ 3.96Å; F75-F79 HydrophobicContact CD1-CZ 3.96Å; F75-F79 HydrophobicContact CG-CE2 4.22Å; F75-F79 WeakPolarHBondContact O-CB 3.41Å; F75-F79 WeakPolarHBondContact O-CD2 3.39Å; F75-F79 VanDerWaalsContact O-CG 3.29Å; F75-F79 WeakPolarHBondContact O-CG 3.24Å; F75-F79 PolarHBondContact O-N 3.28Å; F75-I93 HydrophobicContact CE1-CD1 3.81Å; F75-I93 HydrophobicContact CZ-CD1 3.74Å; F75-I108 HydrophobicContact CE2-CD1 4.4Å; F75-L130 HydrophobicContact CE1-CD2 4.45Å; F75-L130 HydrophobicContact CE2-CD1 4.2Å; F75-L130 HydrophobicContact CE2-CD2 3.9Å; F75-L130 HydrophobicContact CZ-CD1 4.43Å; F75-L130 HydrophobicContact CZ-CD2 3.73Å
76	C	85.6	Confident	81.4	Confident	47 Å²	47	55.2 Å²	55.2	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-50.6	174	-169.8	0	0	0	0	111	A69 S72 P73 Y74 M78 F79 T80	A69-C76 HydrophobicContact CB-CB 4.2Å; A69-C76 WeakPolarHBondContact O-CB 3.41Å; S72-C76 PolarHBondContact O-N 3.27Å; P73-C76 WeakPolarHBondContact O-CB 3.43Å; P73-C76 PolarHBondContact O-N 3.42Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; Y74-C76 PolarHBondContact O-N 2.84Å; C76-M78 VanDerWaalsContact C-N 3.33Å; C76-M78 PolarHBondContact O-N 2.85Å; C76-F79 PolarHBondContact O-N 2.91Å; C76-T80 WeakPolarHBondContact O-CB 3.33Å; C76-T80 WeakPolarHBondContact O-CG2 3.34Å; C76-T80 PolarHBondContact O-N 3.37Å; C76-T80 PolarHBondContact O-OG1 3.47Å
77	A	84.8	Confident	80.5	Confident	57 Å²	57	59.3 Å²	59.3	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-62.3	-40.9	178.3	0	0	0	0	0	111.8	P73 Y74 G81	P73-A77 WeakPolarHBondContact O-CB 3.41Å; P73-A77 PolarHBondContact O-N 3.17Å; Y74-A77 PolarHBondContact O-N 2.65Å; A77-G81 PolarHBondContact O-N 3.47Å
78	M	84.9	Confident	80	Confident	22 Å²	22	60.6 Å²	60.6	11%	0.108	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-42.1	177.9	-175.7	-176.8	-72.5	0	0	112.9	Y74 F75 C76 E85 I91	Y74-M78 HydrophobicContact CD1-CE 4.26Å; Y74-M78 HydrophobicContact CE1-CE 3.34Å; Y74-M78 HydrophobicContact CE2-CE 4.45Å; Y74-M78 VanDerWaalsContact CZ-CE 3.45Å; Y74-M78 WeakPolarHBondContact O-CB 3.35Å; Y74-M78 PolarHBondContact O-N 2.84Å; Y74-M78 VanDerWaalsContact OH-CE 3.29Å; Y74-M78 WeakPolarHBondContact OH-CE 3.44Å; F75-M78 HydrophobicContact CD1-SD 4.33Å; F75-M78 PolarHBondContact O-N 3.35Å; C76-M78 VanDerWaalsContact C-N 3.33Å; C76-M78 PolarHBondContact O-N 2.85Å; M78-E85 HydrophobicContact CG-CB 4.08Å; M78-I91 HydrophobicContact CE-CG2 4.49Å; M78-I91 HydrophobicContact SD-CD1 4.09Å; M78-I91 HydrophobicContact SD-CG2 3.85Å
79	F	84.3	Confident	79.6	Confident	24 Å²	24	68.2 Å²	68.2	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-86.4	-24.4	-176.2	-61.1	-35	0	0	0	114.3	V52 R65 L68 A69 F75 C76 I91	V52-F79 HydrophobicContact CG1-CZ 4.46Å; V52-F79 HydrophobicContact CG2-CE1 4.4Å; V52-F79 HydrophobicContact CG2-CZ 4.43Å; R65-F79 HydrophobicContact CB-CD2 3.97Å; R65-F79 HydrophobicContact CB-CE2 4.11Å; R65-F79 HydrophobicContact CB-CG 4.37Å; R65-F79 HydrophobicContact CG-CD1 4.33Å; R65-F79 HydrophobicContact CG-CD2 4.22Å; R65-F79 HydrophobicContact CG-CE1 4.24Å; R65-F79 HydrophobicContact CG-CE2 4.13Å; R65-F79 HydrophobicContact CG-CG 4.34Å; R65-F79 HydrophobicContact CG-CZ 4.15Å; L68-F79 HydrophobicContact CB-CE2 3.87Å; L68-F79 HydrophobicContact CD1-CE2 4.19Å; L68-F79 HydrophobicContact CD1-CZ 4.23Å; A69-F79 HydrophobicContact CB-CD2 4.16Å; F75-F79 HydrophobicContact CB-CD2 4.18Å; F75-F79 HydrophobicContact CB-CE2 3.8Å; F75-F79 HydrophobicContact CB-CZ 4.47Å; F75-F79 HydrophobicContact CD1-CE2 4.11Å; F75-F79 AromaticContact CD1-CZ 3.96Å; F75-F79 HydrophobicContact CD1-CZ 3.96Å; F75-F79 HydrophobicContact CG-CE2 4.22Å; F75-F79 WeakPolarHBondContact O-CB 3.41Å; F75-F79 WeakPolarHBondContact O-CD2 3.39Å; F75-F79 VanDerWaalsContact O-CG 3.29Å; F75-F79 WeakPolarHBondContact O-CG 3.24Å; F75-F79 PolarHBondContact O-N 3.28Å; C76-F79 PolarHBondContact O-N 2.91Å; F79-I91 HydrophobicContact CD1-CD1 4.38Å; F79-I91 HydrophobicContact CE1-CD1 3.54Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å
80	T	81.2	Confident	79.5	Confident	106 Å²	106	72.8 Å²	72.8	65%	0.65	41%	0.409	S	S	*	.	H	α-helix	trans	-98.6	-11.6	-179.9	62	0	0	0	0	113.7	C76	C76-T80 WeakPolarHBondContact O-CB 3.33Å; C76-T80 WeakPolarHBondContact O-CG2 3.34Å; C76-T80 PolarHBondContact O-N 3.37Å; C76-T80 PolarHBondContact O-OG1 3.47Å
81	G	75	Confident	79.4	Confident	23 Å²	23	69.3 Å²	69.3	24%	0.237	38%	0.379	C	S	.	.	S	Bend	trans	-80.5	162.3	175.7	0	0	0	0	0	114	A77 M83 S86	A77-G81 PolarHBondContact O-N 3.47Å; G81-M83 PolarHBondContact O-N 3.44Å; G81-S86 WeakPolarHBondContact O-CB 3.45Å; G81-S86 PolarHBondContact O-OG 3.37Å
82	D	65.8	Low	79.3	Confident	177 Å²	177	73.3 Å²	73.3	95%	0.947	39%	0.393	S	S	*	.	S	Bend	trans	-77.9	26.5	177.5	-76.8	-37.5	0	0	0	113.9
83	M	69.6	Low	79.1	Confident	111 Å²	111	73.5 Å²	73.5	55%	0.547	39%	0.394	S	S	.	.	S	Bend	trans	-83.7	161	-179	-58	-174.1	-157.2	0	0	112	G81 E85 S86	G81-M83 PolarHBondContact O-N 3.44Å; M83-E85 WeakPolarHBondContact CB-OE2 3.49Å; M83-E85 PolarHBondContact O-N 2.94Å; M83-S86 VanDerWaalsContact O-CB 3.3Å; M83-S86 WeakPolarHBondContact O-CB 3.16Å; M83-S86 PolarHBondContact O-N 3.34Å; M83-S86 VanDerWaalsContact O-N 3.14Å; M83-S86 PolarHBondContact O-OG 3.14Å
84	S	63.3	Low	78.7	Confident	98 Å²	98	77 Å²	77	69%	0.685	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-56.6	-34.8	176.7	25.9	0	0	0	0	113.6	S86 K87 A88	S84-S86 PolarHBondContact O-N 2.6Å; S84-K87 PolarHBondContact O-N 3.36Å; S84-K87 VanDerWaalsContact O-N 3.16Å; S84-A88 PolarHBondContact O-N 3.25Å
85	E	67.1	Low	78.3	Confident	78 Å²	78	81.9 Å²	81.9	36%	0.364	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-65.3	-28.9	-178.5	-67.5	81.8	168.4	0	0	111.1	R65 M78 M83 K87 A88	R65-E85 PolarHBondContact NH2-O 3.34Å; M78-E85 HydrophobicContact CG-CB 4.08Å; M83-E85 WeakPolarHBondContact CB-OE2 3.49Å; M83-E85 PolarHBondContact O-N 2.94Å; E85-K87 PolarHBondContact O-N 2.97Å; E85-K87 VanDerWaalsContact O-N 3.15Å; E85-A88 PolarHBondContact O-N 2.9Å
86	S	67	Low	78.2	Confident	20 Å²	20	82.3 Å²	82.3	14%	0.14	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-61.2	-24.2	175.4	72.9	0	0	0	0	112.7	R65 G81 M83 S84	R65-S86 VanDerWaalsContact CZ-O 3.3Å; R65-S86 PolarHBondContact NH1-O 3.03Å; R65-S86 PolarHBondContact NH2-O 2.81Å; G81-S86 WeakPolarHBondContact O-CB 3.45Å; G81-S86 PolarHBondContact O-OG 3.37Å; M83-S86 VanDerWaalsContact O-CB 3.3Å; M83-S86 WeakPolarHBondContact O-CB 3.16Å; M83-S86 PolarHBondContact O-N 3.34Å; M83-S86 VanDerWaalsContact O-N 3.14Å; M83-S86 PolarHBondContact O-OG 3.14Å; S84-S86 PolarHBondContact O-N 2.6Å
87	K	68.2	Low	78.2	Confident	189 Å²	189	82.9 Å²	82.9	82%	0.822	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-109.6	-6.8	-179.5	-64	176.4	-172.8	171	0	113.4	S84 E85	S84-K87 PolarHBondContact O-N 3.36Å; S84-K87 VanDerWaalsContact O-N 3.16Å; E85-K87 PolarHBondContact O-N 2.97Å; E85-K87 VanDerWaalsContact O-N 3.15Å
88	A	78.2	Confident	78.3	Confident	32 Å²	32	80.2 Å²	80.2	26%	0.264	41%	0.413	S	S	.	.			trans	-79.6	135.7	-178.9	0	0	0	0	0	111.4	R65 S84 E85 I91	R65-A88 PolarHBondContact NH2-O 2.71Å; S84-A88 PolarHBondContact O-N 3.25Å; E85-A88 PolarHBondContact O-N 2.9Å; A88-I91 HydrophobicContact CB-CG1 4.31Å
89	K	79.3	Confident	78.4	Confident	160 Å²	160	85.9 Å²	85.9	70%	0.696	44%	0.439	S	S	*	.	S	Bend	trans	-79.1	-24.2	173.3	-163.9	177.2	-179.9	-173.7	0	112.1	M53	M53-K89 PolarHBondContact N-O 3.25Å
90	K	85.7	Confident	78.6	Confident	118 Å²	118	85.2 Å²	85.2	51%	0.513	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.5	178.8	-169	175.8	-170.3	171.1	0	109	M53 V55 E60	M53-K90 CarbonylContact O-C 3.58Å; M53-K90 WeakPolarHBondContact O-CA 3.42Å; M53-K90 HydrophobicContact SD-CG 4.46Å; V55-K90 HydrophobicContact CG2-CD 4.28Å; V55-K90 HydrophobicContact CG2-CG 3.97Å; E60-K90 WeakPolarHBondContact OE1-CE 3.29Å; E60-K90 IonicContact OE1-NZ 2.65Å; E60-K90 PolarHBondContact OE1-NZ 3.15Å
91	I	85.6	Confident	79.1	Confident	6 Å²	6	80.2 Å²	80.2	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.2	-177.2	-61.3	173	0	0	0	108.7	V52 M53 I54 V55 M78 F79 A88	V52-I91 HydrophobicContact CG2-CD1 3.85Å; V52-I91 HydrophobicContact CG2-CG1 4.34Å; M53-I91 PolarHBondContact O-N 3.23Å; I54-I91 CarbonylContact C-O 3.57Å; I54-I91 WeakPolarHBondContact CA-O 3.38Å; I54-I91 HydrophobicContact CD1-CB 4.15Å; I54-I91 HydrophobicContact CD1-CD1 4.49Å; V55-I91 PolarHBondContact N-O 3.16Å; M78-I91 HydrophobicContact CE-CG2 4.49Å; M78-I91 HydrophobicContact SD-CD1 4.09Å; M78-I91 HydrophobicContact SD-CG2 3.85Å; F79-I91 HydrophobicContact CD1-CD1 4.38Å; F79-I91 HydrophobicContact CE1-CD1 3.54Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å; A88-I91 HydrophobicContact CB-CG1 4.31Å
92	E	84.9	Confident	79.7	Confident	135 Å²	135	80.9 Å²	80.9	63%	0.631	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	124	178.8	-169.4	-175.3	157.8	0	0	109.8	V55	V55-E92 CarbonylContact O-C 3.46Å; V55-E92 VanDerWaalsContact O-CA 3.3Å; V55-E92 WeakPolarHBondContact O-CA 3.44Å
93	I	85.2	Confident	80.9	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-98.8	119.2	172.3	-58	-174.8	0	0	0	107.6	I54 V55 F75 V96 L101 L129 L130	I54-I93 HydrophobicContact CG2-CD1 3.57Å; I54-I93 HydrophobicContact CG2-CG1 3.85Å; V55-I93 PolarHBondContact O-N 3.38Å; F75-I93 HydrophobicContact CE1-CD1 3.81Å; F75-I93 HydrophobicContact CZ-CD1 3.74Å; I93-V96 HydrophobicContact CG2-CB 4.32Å; I93-V96 HydrophobicContact CG2-CG2 3.93Å; I93-L101 HydrophobicContact CB-CD2 4.45Å; I93-L101 HydrophobicContact CD1-CD1 4.12Å; I93-L101 HydrophobicContact CD1-CD2 4.05Å; I93-L129 HydrophobicContact CG2-CD2 4.37Å; I93-L130 HydrophobicContact CD1-CD2 4.21Å
94	K	80.9	Confident	81.9	Confident	143 Å²	143	71.5 Å²	71.5	62%	0.622	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-87.2	156	177	-62.3	-177.3	179.4	-179.4	0	110.1	V96	K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 3.28Å
95	D	80.4	Confident	83.1	Confident	168 Å²	168	66.8 Å²	66.8	90%	0.898	32%	0.322	S	S	*	.	S	Bend	trans	65.7	25.5	174.7	-48.3	-46.7	0	0	0	115.2
96	V	84.9	Confident	84.2	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.055	32%	0.319	C	S	.	.	S	Bend	trans	-135.4	132.1	174	-176.2	0	0	0	0	110	I93 K94 L101 A126 L129	I93-V96 HydrophobicContact CG2-CB 4.32Å; I93-V96 HydrophobicContact CG2-CG2 3.93Å; K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 3.28Å; V96-L101 HydrophobicContact CG1-CB 3.99Å; V96-A126 HydrophobicContact CG1-CB 3.76Å; V96-A126 HydrophobicContact CG2-CB 4.24Å; V96-L129 HydrophobicContact CG2-CD2 3.62Å
97	D	86.1	Confident	85.4	Confident	60 Å²	60	66.4 Å²	66.4	32%	0.321	32%	0.319	S	S	.	.			trans	-64.3	137.3	173.1	166.2	100	0	0	0	111.3	Q99 T100 L101	D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact O-N 2.9Å; D97-Q99 WeakPolarHBondContact OD2-CA 3.3Å; D97-Q99 VanDerWaalsContact OD2-CB 3.31Å; D97-Q99 WeakPolarHBondContact OD2-CB 3.48Å; D97-Q99 PolarHBondContact OD2-N 3.47Å; D97-T100 PolarHBondContact O-N 3.25Å; D97-T100 PolarHBondContact OD2-N 3.05Å; D97-T100 PolarHBondContact OD2-OG1 2.81Å; D97-L101 PolarHBondContact O-N 2.87Å
98	G	85.8	Confident	86.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-34.7	-175.1	0	0	0	0	0	114.6	E57 S102	E57-G98 PolarHBondContact OE2-N 2.99Å; G98-S102 PolarHBondContact O-N 3.04Å; G98-S102 VanDerWaalsContact O-N 3.09Å
99	Q	87.9	Confident	86.9	Confident	140 Å²	140	56.5 Å²	56.5	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-73.2	-39.2	178.1	-56.7	-172.2	3.8	0	0	111.5	D97 L101 S102 K103	D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact O-N 2.9Å; D97-Q99 WeakPolarHBondContact OD2-CA 3.3Å; D97-Q99 VanDerWaalsContact OD2-CB 3.31Å; D97-Q99 WeakPolarHBondContact OD2-CB 3.48Å; D97-Q99 PolarHBondContact OD2-N 3.47Å; Q99-L101 VanDerWaalsContact C-N 3.34Å; Q99-S102 WeakPolarHBondContact O-CB 3.45Å; Q99-S102 PolarHBondContact O-N 3.24Å; Q99-K103 PolarHBondContact O-N 2.98Å
100	T	89.1	Confident	87.2	Confident	10 Å²	10	51.6 Å²	51.6	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-43.5	175.9	-57	0	0	0	0	110.6	D97 S102 K103 L104 V122 L123 A126	D97-T100 PolarHBondContact O-N 3.25Å; D97-T100 PolarHBondContact OD2-N 3.05Å; D97-T100 PolarHBondContact OD2-OG1 2.81Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.45Å; T100-K103 PolarHBondContact O-N 3.22Å; T100-L104 HydrophobicContact CG2-CD1 4.32Å; T100-L104 WeakPolarHBondContact O-CG 3.41Å; T100-L104 PolarHBondContact O-N 3.31Å; T100-V122 HydrophobicContact CG2-CG2 4.46Å; T100-V122 WeakPolarHBondContact OG1-CG2 3.14Å; T100-L123 HydrophobicContact CG2-CB 4.41Å; T100-L123 HydrophobicContact CG2-CD1 3.89Å; T100-A126 HydrophobicContact CG2-CB 3.85Å
101	L	90.3	Very high	87.2	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-39.8	175.5	-174	61	0	0	0	112	I54 A56 I61 I93 V96 D97 Q99 K103 L104 I105 L130	I54-L101 HydrophobicContact CG2-CD2 3.68Å; A56-L101 HydrophobicContact CB-CB 4.27Å; A56-L101 HydrophobicContact CB-CD2 3.42Å; A56-L101 VanDerWaalsContact CB-CD2 3.42Å; A56-L101 HydrophobicContact CB-CG 4.5Å; I61-L101 HydrophobicContact CD1-CG 4.33Å; I93-L101 HydrophobicContact CB-CD2 4.45Å; I93-L101 HydrophobicContact CD1-CD1 4.12Å; I93-L101 HydrophobicContact CD1-CD2 4.05Å; V96-L101 HydrophobicContact CG1-CB 3.99Å; D97-L101 PolarHBondContact O-N 2.87Å; Q99-L101 VanDerWaalsContact C-N 3.34Å; L101-K103 VanDerWaalsContact C-N 3.35Å; L101-K103 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 2.85Å; L101-I105 HydrophobicContact CD1-CD1 4.28Å; L101-I105 HydrophobicContact CD1-CG1 4.35Å; L101-I105 HydrophobicContact CG-CD1 4.05Å; L101-I105 HydrophobicContact CG-CG1 4.48Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 3.38Å; L101-L130 HydrophobicContact CD1-CD1 3.74Å
102	S	89.1	Confident	87.3	Confident	37 Å²	37	56.7 Å²	56.7	26%	0.259	29%	0.292	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174	-169.6	0	0	0	0	111.6	G98 Q99 T100 L104 I105 D106	G98-S102 PolarHBondContact O-N 3.04Å; G98-S102 VanDerWaalsContact O-N 3.09Å; Q99-S102 WeakPolarHBondContact O-CB 3.45Å; Q99-S102 PolarHBondContact O-N 3.24Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.45Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.26Å; S102-I105 PolarHBondContact O-N 3.09Å; S102-D106 WeakPolarHBondContact O-CB 3.3Å; S102-D106 PolarHBondContact O-N 2.97Å
103	K	89.8	Confident	87.5	Confident	91 Å²	91	52.4 Å²	52.4	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-39.9	177.9	-70.9	-179.7	177.7	-177.2	0	112.5	Q99 T100 L101 D106 Y107	Q99-K103 PolarHBondContact O-N 2.98Å; T100-K103 PolarHBondContact O-N 3.22Å; L101-K103 VanDerWaalsContact C-N 3.35Å; L101-K103 PolarHBondContact O-N 2.88Å; K103-D106 PolarHBondContact O-N 3.2Å; K103-Y107 WeakPolarHBondContact O-CB 3.37Å; K103-Y107 PolarHBondContact O-N 2.61Å
104	L	90.9	Very high	87.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-38.1	177.4	-70	174.1	0	0	0	112.2	T100 L101 S102 Y107 I108 I113 L123 A126 A127 L130 L132 V135	T100-L104 HydrophobicContact CG2-CD1 4.32Å; T100-L104 WeakPolarHBondContact O-CG 3.41Å; T100-L104 PolarHBondContact O-N 3.31Å; L101-L104 PolarHBondContact O-N 2.85Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.26Å; L104-Y107 WeakPolarHBondContact O-CB 3.31Å; L104-Y107 PolarHBondContact O-N 3.01Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.9Å; L104-I108 VanDerWaalsContact O-N 3.11Å; L104-I113 HydrophobicContact CD2-CD1 3.96Å; L104-L123 HydrophobicContact CD1-CD1 4.35Å; L104-L123 HydrophobicContact CD2-CD1 3.54Å; L104-L123 HydrophobicContact CG-CD1 3.85Å; L104-A126 HydrophobicContact CD1-CB 3.56Å; L104-A127 HydrophobicContact CD2-CB 4.3Å; L104-L130 HydrophobicContact CB-CD1 4.26Å; L104-L130 HydrophobicContact CD1-CD1 3.87Å; L104-L132 HydrophobicContact CB-CD1 4.22Å; L104-L132 HydrophobicContact CD2-CD1 3.93Å; L104-V135 HydrophobicContact CD2-CG1 3.97Å; L104-V135 HydrophobicContact CD2-CG2 4.42Å
105	I	89.9	Confident	88.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-42	173.2	-66.6	175.6	0	0	0	109.9	I54 I61 L68 L101 S102 Y107 I108 Y109	I54-I105 HydrophobicContact CB-CD1 4.34Å; I54-I105 HydrophobicContact CG1-CD1 4.45Å; I61-I105 HydrophobicContact CB-CD1 4.19Å; I61-I105 HydrophobicContact CD1-CD1 3.86Å; I61-I105 HydrophobicContact CG2-CD1 3.89Å; I61-I105 HydrophobicContact CG2-CG2 4.17Å; L68-I105 HydrophobicContact CD2-CG1 4.38Å; L68-I105 HydrophobicContact CD2-CG2 4.48Å; L101-I105 HydrophobicContact CD1-CD1 4.28Å; L101-I105 HydrophobicContact CD1-CG1 4.35Å; L101-I105 HydrophobicContact CG-CD1 4.05Å; L101-I105 HydrophobicContact CG-CG1 4.48Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 3.38Å; S102-I105 PolarHBondContact O-N 3.09Å; I105-Y107 VanDerWaalsContact C-N 3.27Å; I105-Y107 PolarHBondContact O-N 3.36Å; I105-I108 WeakPolarHBondContact O-CB 3.43Å; I105-I108 PolarHBondContact O-N 3.45Å; I105-I108 VanDerWaalsContact O-N 3.07Å; I105-Y109 HydrophobicContact CG2-CD2 4.21Å; I105-Y109 HydrophobicContact CG2-CE2 4.05Å; I105-Y109 VanDerWaalsContact O-CD2 3.32Å; I105-Y109 WeakPolarHBondContact O-CD2 3.47Å; I105-Y109 PolarHBondContact O-N 3.44Å
106	D	89.6	Confident	88.4	Confident	54 Å²	54	47.7 Å²	47.7	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-41.3	174.7	-68.8	-25.5	0	0	0	111.4	R44 S102 K103 I108 Y109 T110	R44-D106 IonicContact CZ-OD1 3.16Å; R44-D106 IonicContact NH1-OD1 2.75Å; R44-D106 PolarHBondContact NH1-OD1 2.96Å; R44-D106 IonicContact NH2-OD1 2.67Å; R44-D106 PolarHBondContact NH2-OD1 2.78Å; S102-D106 WeakPolarHBondContact O-CB 3.3Å; S102-D106 PolarHBondContact O-N 2.97Å; K103-D106 PolarHBondContact O-N 3.2Å; D106-I108 PolarHBondContact O-N 3.38Å; D106-Y109 PolarHBondContact O-N 3.04Å; D106-Y109 VanDerWaalsContact O-N 3.13Å; D106-T110 WeakPolarHBondContact O-CB 3.42Å; D106-T110 WeakPolarHBondContact O-CG2 3.47Å; D106-T110 PolarHBondContact O-N 3.33Å; D106-T110 PolarHBondContact O-OG1 2.64Å
107	Y	90.9	Very high	88.3	Confident	35 Å²	35	53.8 Å²	53.8	14%	0.137	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-42.7	172.6	171	-98.9	0	0	0	112.4	K103 L104 I105 Y109 T110 A111 I113 D134 V135	K103-Y107 WeakPolarHBondContact O-CB 3.37Å; K103-Y107 PolarHBondContact O-N 2.61Å; L104-Y107 WeakPolarHBondContact O-CB 3.31Å; L104-Y107 PolarHBondContact O-N 3.01Å; I105-Y107 VanDerWaalsContact C-N 3.27Å; I105-Y107 PolarHBondContact O-N 3.36Å; Y107-Y109 PolarHBondContact O-N 3.38Å; Y107-Y109 VanDerWaalsContact O-N 3.16Å; Y107-T110 PolarHBondContact O-N 2.87Å; Y107-A111 VanDerWaalsContact O-CA 3.27Å; Y107-A111 WeakPolarHBondContact O-CA 3.29Å; Y107-A111 PolarHBondContact O-N 3.3Å; Y107-I113 HydrophobicContact CD2-CB 3.75Å; Y107-I113 HydrophobicContact CD2-CG2 3.95Å; Y107-I113 HydrophobicContact CE2-CG2 4.23Å; Y107-I113 HydrophobicContact CG-CB 4.3Å; Y107-D134 WeakPolarHBondContact OH-CB 3.49Å; Y107-V135 HydrophobicContact CD1-CG2 3.54Å; Y107-V135 HydrophobicContact CD2-CG2 4.19Å; Y107-V135 HydrophobicContact CE1-CG2 3.4Å; Y107-V135 VanDerWaalsContact CE1-CG2 3.4Å; Y107-V135 HydrophobicContact CE2-CG2 4.06Å; Y107-V135 HydrophobicContact CG-CG2 3.94Å
108	I	89.6	Confident	88.3	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-31.6	177.4	-71.6	167.9	0	0	0	112	V67 L68 C71 F75 L104 I105 D106 L132	V67-I108 HydrophobicContact CG1-CG2 3.82Å; L68-I108 HydrophobicContact CD2-CD1 3.61Å; L68-I108 HydrophobicContact CD2-CG2 4.26Å; C71-I108 HydrophobicContact CB-CG1 4.26Å; C71-I108 HydrophobicContact CB-CG2 3.81Å; F75-I108 HydrophobicContact CE2-CD1 4.4Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.9Å; L104-I108 VanDerWaalsContact O-N 3.11Å; I105-I108 WeakPolarHBondContact O-CB 3.43Å; I105-I108 PolarHBondContact O-N 3.45Å; I105-I108 VanDerWaalsContact O-N 3.07Å; D106-I108 PolarHBondContact O-N 3.38Å; I108-L132 HydrophobicContact CD1-CD2 4.49Å; I108-L132 HydrophobicContact CG1-CD2 4.26Å
109	Y	88.2	Confident	88.3	Confident	6 Å²	6	60.2 Å²	60.2	2%	0.024	31%	0.309	C	S	.	.	H	α-helix	trans	-93.5	-28.2	-179.9	-76.4	-95.2	0	0	0	114.3	M40 N41 R44 H64 V67 I105 D106 Y107	M40-Y109 HydrophobicContact CB-CD1 4.39Å; M40-Y109 HydrophobicContact CB-CE1 4.34Å; N41-Y109 HydrophobicContact CB-CD1 4.17Å; N41-Y109 HydrophobicContact CB-CG 4.48Å; R44-Y109 HydrophobicContact CB-CE1 4.32Å; H64-Y109 WeakPolarHBondContact CB-OH 3.27Å; H64-Y109 PolarHBondContact N-OH 3.29Å; H64-Y109 AromaticContact ND1-CE1 3.75Å; H64-Y109 AromaticContact ND1-CZ 3.8Å; H64-Y109 PolarHBondContact ND1-OH 3.14Å; V67-Y109 HydrophobicContact CB-CE1 4.14Å; V67-Y109 HydrophobicContact CG1-CD1 4.14Å; V67-Y109 HydrophobicContact CG1-CD2 4.43Å; V67-Y109 HydrophobicContact CG1-CE1 3.75Å; V67-Y109 HydrophobicContact CG1-CE2 4.04Å; V67-Y109 HydrophobicContact CG1-CG 4.47Å; V67-Y109 HydrophobicContact CG2-CE1 4.1Å; I105-Y109 HydrophobicContact CG2-CD2 4.21Å; I105-Y109 HydrophobicContact CG2-CE2 4.05Å; I105-Y109 VanDerWaalsContact O-CD2 3.32Å; I105-Y109 WeakPolarHBondContact O-CD2 3.47Å; I105-Y109 PolarHBondContact O-N 3.44Å; D106-Y109 PolarHBondContact O-N 3.04Å; D106-Y109 VanDerWaalsContact O-N 3.13Å; Y107-Y109 PolarHBondContact O-N 3.38Å; Y107-Y109 VanDerWaalsContact O-N 3.16Å
110	T	86.9	Confident	88.3	Confident	57 Å²	57	53.8 Å²	53.8	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-107.4	-22.1	-171.9	60.4	0	0	0	0	113.7	D106 Y107 E112	D106-T110 WeakPolarHBondContact O-CB 3.42Å; D106-T110 WeakPolarHBondContact O-CG2 3.47Å; D106-T110 PolarHBondContact O-N 3.33Å; D106-T110 PolarHBondContact O-OG1 2.64Å; Y107-T110 PolarHBondContact O-N 2.87Å; T110-E112 PolarHBondContact O-N 3.39Å; T110-E112 PolarHBondContact OG1-N 3.47Å; T110-E112 PolarHBondContact OG1-O 3.36Å
111	A	85.8	Confident	88.1	Confident	77 Å²	77	59.8 Å²	59.8	64%	0.636	31%	0.306	S	S	*	.	S	Bend	trans	59	19.7	-167.2	0	0	0	0	0	114.1	Y107	Y107-A111 VanDerWaalsContact O-CA 3.27Å; Y107-A111 WeakPolarHBondContact O-CA 3.29Å; Y107-A111 PolarHBondContact O-N 3.3Å
112	E	87	Confident	88.1	Confident	154 Å²	154	63.1 Å²	63.1	72%	0.72	33%	0.327	S	S	*	.			trans	-117.9	131.1	179.5	-68.2	178.4	-175.4	0	0	109.8	T110	T110-E112 PolarHBondContact O-N 3.39Å; T110-E112 PolarHBondContact OG1-N 3.47Å; T110-E112 PolarHBondContact OG1-O 3.36Å
113	I	90	Very high	88.1	Confident	44 Å²	44	61.5 Å²	61.5	23%	0.226	32%	0.315	C	S	.	.			trans	-142.7	135.6	174.6	-163.2	161.7	0	0	0	110.9	L104 Y107 L123 V135	L104-I113 HydrophobicContact CD2-CD1 3.96Å; Y107-I113 HydrophobicContact CD2-CB 3.75Å; Y107-I113 HydrophobicContact CD2-CG2 3.95Å; Y107-I113 HydrophobicContact CE2-CG2 4.23Å; Y107-I113 HydrophobicContact CG-CB 4.3Å; I113-L123 HydrophobicContact CD1-CD1 3.86Å; I113-L123 HydrophobicContact CD1-CD2 3.91Å; I113-L123 HydrophobicContact CD1-CG 4.4Å; I113-L123 HydrophobicContact CG1-CD2 4.35Å; I113-V135 HydrophobicContact CD1-CG1 3.71Å; I113-V135 HydrophobicContact CD1-CG2 4.14Å; I113-V135 HydrophobicContact CG2-CG2 4.4Å
114	E	87.9	Confident	88.1	Confident	145 Å²	145	57.2 Å²	57.2	68%	0.678	30%	0.296	S	S	*	.			trans	-100.8	117.5	177.2	-172.4	-179.3	-170.6	0	0	109.6	T116 N119	E114-T116 HydrophobicContact CG-CG2 4.07Å; E114-N119 PolarHBondContact O-ND2 2.84Å
115	V	89.3	Confident	87.9	Confident	28 Å²	28	59 Å²	59	17%	0.17	31%	0.308	C	S	.	.			trans	-100.2	125.7	177.3	-174.4	0	0	0	0	108.9	V120 L123 F142	V115-V120 HydrophobicContact CG1-CB 4.08Å; V115-V120 HydrophobicContact CG1-CG2 3.98Å; V115-L123 HydrophobicContact CG2-CD2 4.08Å; V115-F142 HydrophobicContact CG1-CB 3.95Å; V115-F142 HydrophobicContact CG1-CD1 3.87Å; V115-F142 HydrophobicContact CG1-CD2 4.42Å; V115-F142 HydrophobicContact CG1-CG 3.81Å
116	T	88.4	Confident	87.9	Confident	45 Å²	45	59.2 Å²	59.2	28%	0.276	31%	0.31	S	S	.	.			trans	-132.6	162.5	-179.2	68.6	0	0	0	0	110.5	E114 E118 N119 V120	E114-T116 HydrophobicContact CG-CG2 4.07Å; T116-E118 PolarHBondContact O-N 3.24Å; T116-N119 VanDerWaalsContact N-CG 3.31Å; T116-N119 PolarHBondContact N-ND2 3.32Å; T116-N119 PolarHBondContact N-OD1 2.93Å; T116-N119 PolarHBondContact O-N 2.98Å; T116-N119 VanDerWaalsContact O-N 3.1Å; T116-N119 PolarHBondContact O-OD1 2.96Å; T116-N119 VanDerWaalsContact OG1-CG 3.23Å; T116-N119 PolarHBondContact OG1-ND2 3.4Å; T116-V120 WeakPolarHBondContact O-CB 3.4Å; T116-V120 PolarHBondContact O-N 3.32Å
117	E	82.6	Confident	87.9	Confident	137 Å²	137	56.7 Å²	56.7	64%	0.64	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-36.7	179.3	-65	179.3	-173.9	0	0	113	F142	E117-F142 HydrophobicContact CG-CE1 4.23Å; E117-F142 HydrophobicContact CG-CZ 3.99Å
118	E	84.4	Confident	87.8	Confident	182 Å²	182	56.8 Å²	56.8	85%	0.85	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.5	179.7	-62.3	-179.3	174.9	0	0	112.9	T116	T116-E118 PolarHBondContact O-N 3.24Å
119	N	87.6	Confident	87.7	Confident	14 Å²	14	59.8 Å²	59.8	8%	0.075	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-24.1	-172.7	80	27.9	0	0	0	113.7	E114 T116 Q121 V122 L123	E114-N119 PolarHBondContact O-ND2 2.84Å; T116-N119 VanDerWaalsContact N-CG 3.31Å; T116-N119 PolarHBondContact N-ND2 3.32Å; T116-N119 PolarHBondContact N-OD1 2.93Å; T116-N119 PolarHBondContact O-N 2.98Å; T116-N119 VanDerWaalsContact O-N 3.1Å; T116-N119 PolarHBondContact O-OD1 2.96Å; T116-N119 VanDerWaalsContact OG1-CG 3.23Å; T116-N119 PolarHBondContact OG1-ND2 3.4Å; N119-Q121 VanDerWaalsContact C-N 3.25Å; N119-Q121 PolarHBondContact O-N 3.3Å; N119-V122 WeakPolarHBondContact O-CG2 3.42Å; N119-V122 PolarHBondContact O-N 3.25Å; N119-V122 VanDerWaalsContact O-N 3.15Å; N119-L123 WeakPolarHBondContact O-CB 3.46Å; N119-L123 PolarHBondContact O-N 3.03Å
120	V	86.9	Confident	87.8	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-33.2	-170.5	69	0	0	0	0	112.9	V115 T116 V122 L123 L124 C139 F142 L143	V115-V120 HydrophobicContact CG1-CB 4.08Å; V115-V120 HydrophobicContact CG1-CG2 3.98Å; T116-V120 WeakPolarHBondContact O-CB 3.4Å; T116-V120 PolarHBondContact O-N 3.32Å; V120-V122 PolarHBondContact O-N 3.32Å; V120-L123 PolarHBondContact O-N 3.42Å; V120-L124 WeakPolarHBondContact O-CB 3.18Å; V120-L124 PolarHBondContact O-N 3.41Å; V120-L124 VanDerWaalsContact O-N 3.09Å; V120-C139 HydrophobicContact CG2-CB 4.01Å; V120-F142 HydrophobicContact CB-CD1 4.39Å; V120-F142 HydrophobicContact CG1-CE1 4.48Å; V120-F142 HydrophobicContact CG2-CD1 4.23Å; V120-L143 HydrophobicContact CG1-CD2 3.93Å; V120-L143 HydrophobicContact CG2-CD1 4.09Å; V120-L143 HydrophobicContact CG2-CD2 4.08Å; V120-L143 HydrophobicContact CG2-CG 3.87Å
121	Q	85.6	Confident	87.9	Confident	136 Å²	136	60.9 Å²	60.9	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-67.2	-34.8	-179.9	-67.1	-174.3	-4.2	0	0	113	N119 P125	N119-Q121 VanDerWaalsContact C-N 3.25Å; N119-Q121 PolarHBondContact O-N 3.3Å; Q121-P125 WeakPolarHBondContact O-CD 3.48Å; Q121-P125 WeakPolarHBondContact O-CG 3.29Å
122	V	89	Confident	88.1	Confident	71 Å²	71	57.6 Å²	57.6	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-92	-27.5	177.2	-66	0	0	0	0	112.2	T100 N119 V120 P125 A126	T100-V122 HydrophobicContact CG2-CG2 4.46Å; T100-V122 WeakPolarHBondContact OG1-CG2 3.14Å; N119-V122 WeakPolarHBondContact O-CG2 3.42Å; N119-V122 PolarHBondContact O-N 3.25Å; N119-V122 VanDerWaalsContact O-N 3.15Å; V120-V122 PolarHBondContact O-N 3.32Å; V122-P125 WeakPolarHBondContact O-CD 3.5Å; V122-A126 WeakPolarHBondContact O-CB 3.43Å
123	L	90.6	Very high	88.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-75.2	-44	-176.8	-174.1	64.7	0	0	0	113	T100 L104 I113 V115 N119 V120 A126 A127 V135	T100-L123 HydrophobicContact CG2-CB 4.41Å; T100-L123 HydrophobicContact CG2-CD1 3.89Å; L104-L123 HydrophobicContact CD1-CD1 4.35Å; L104-L123 HydrophobicContact CD2-CD1 3.54Å; L104-L123 HydrophobicContact CG-CD1 3.85Å; I113-L123 HydrophobicContact CD1-CD1 3.86Å; I113-L123 HydrophobicContact CD1-CD2 3.91Å; I113-L123 HydrophobicContact CD1-CG 4.4Å; I113-L123 HydrophobicContact CG1-CD2 4.35Å; V115-L123 HydrophobicContact CG2-CD2 4.08Å; N119-L123 WeakPolarHBondContact O-CB 3.46Å; N119-L123 PolarHBondContact O-N 3.03Å; V120-L123 PolarHBondContact O-N 3.42Å; L123-A126 PolarHBondContact O-N 3.08Å; L123-A127 VanDerWaalsContact O-CB 3.29Å; L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 2.98Å; L123-V135 HydrophobicContact CD1-CG1 4.43Å; L123-V135 HydrophobicContact CD2-CG1 4.32Å; L123-V135 HydrophobicContact CG-CG1 4.2Å
124	L	88.8	Confident	88	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-48.3	-179.3	-176.4	99.7	0	0	0	112.6	V120 A126 A127 S128 R136 C139 F158 H162	V120-L124 WeakPolarHBondContact O-CB 3.18Å; V120-L124 PolarHBondContact O-N 3.41Å; V120-L124 VanDerWaalsContact O-N 3.09Å; L124-A126 PolarHBondContact O-N 2.86Å; L124-A127 PolarHBondContact O-N 3.38Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 2.87Å; L124-R136 HydrophobicContact CD1-CG 3.95Å; L124-C139 HydrophobicContact CB-CB 4.18Å; L124-C139 HydrophobicContact CD1-CB 3.45Å; L124-C139 VanDerWaalsContact CD1-CB 3.45Å; L124-C139 HydrophobicContact CG-CB 4.45Å; L124-F158 HydrophobicContact CB-CE1 4.15Å; L124-F158 HydrophobicContact CB-CZ 4.2Å; L124-F158 HydrophobicContact CD2-CD1 4.13Å; L124-F158 HydrophobicContact CD2-CE1 3.36Å; L124-F158 HydrophobicContact CD2-CZ 3.89Å; L124-F158 HydrophobicContact CG-CE1 4.33Å; L124-H162 HydrophobicContact CD2-CB 3.91Å
125	P	87.4	Confident	88.1	Confident	39 Å²	39	50.5 Å²	50.5	25%	0.253	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-43.2	177.9	-18.8	30.5	0	0	0	112	Q121 V122 S128 L129 F158 H162	Q121-P125 WeakPolarHBondContact O-CD 3.48Å; Q121-P125 WeakPolarHBondContact O-CG 3.29Å; V122-P125 WeakPolarHBondContact O-CD 3.5Å; P125-S128 WeakPolarHBondContact O-CB 3.5Å; P125-S128 PolarHBondContact O-N 2.94Å; P125-L129 WeakPolarHBondContact O-CB 3.35Å; P125-L129 PolarHBondContact O-N 3.15Å; P125-F158 HydrophobicContact CG-CZ 4.29Å; P125-H162 VanDerWaalsContact CG-CE1 3.46Å; P125-H162 WeakPolarHBondContact CG-CE1 3.42Å
126	A	89.3	Confident	88.1	Confident	4 Å²	4	53 Å²	53	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-41.7	179	0	0	0	0	0	112.1	V96 T100 L104 V122 L123 L124 S128 L129 L130	V96-A126 HydrophobicContact CG1-CB 3.76Å; V96-A126 HydrophobicContact CG2-CB 4.24Å; T100-A126 HydrophobicContact CG2-CB 3.85Å; L104-A126 HydrophobicContact CD1-CB 3.56Å; V122-A126 WeakPolarHBondContact O-CB 3.43Å; L123-A126 PolarHBondContact O-N 3.08Å; L124-A126 PolarHBondContact O-N 2.86Å; A126-S128 VanDerWaalsContact C-N 3.34Å; A126-S128 PolarHBondContact O-N 2.97Å; A126-L129 PolarHBondContact O-N 3.1Å; A126-L130 WeakPolarHBondContact O-CG 3.35Å; A126-L130 PolarHBondContact O-N 3.25Å
127	A	90.4	Very high	88.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-38.4	174.4	0	0	0	0	0	112.1	L104 L123 L124 Q131 L132 V135	L104-A127 HydrophobicContact CD2-CB 4.3Å; L123-A127 VanDerWaalsContact O-CB 3.29Å; L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 2.98Å; L124-A127 PolarHBondContact O-N 3.38Å; A127-Q131 PolarHBondContact O-N 3.5Å; A127-L132 HydrophobicContact CB-CB 4.47Å; A127-L132 PolarHBondContact O-N 3.23Å; A127-V135 HydrophobicContact CB-CB 3.97Å; A127-V135 HydrophobicContact CB-CG1 3.73Å
128	S	87.6	Confident	88.4	Confident	37 Å²	37	52.2 Å²	52.2	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-44.5	175.6	-164.4	0	0	0	0	111.6	L124 P125 A126 Q131	L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 2.87Å; P125-S128 WeakPolarHBondContact O-CB 3.5Å; P125-S128 PolarHBondContact O-N 2.94Å; A126-S128 VanDerWaalsContact C-N 3.34Å; A126-S128 PolarHBondContact O-N 2.97Å; S128-Q131 PolarHBondContact O-N 3.15Å; S128-Q131 VanDerWaalsContact O-N 3.11Å
129	L	88.8	Confident	88.6	Confident	71 Å²	71	43.5 Å²	43.5	37%	0.372	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-48.1	176.2	-179.1	68.2	0	0	0	111.8	I93 V96 P125 A126 Q131	I93-L129 HydrophobicContact CG2-CD2 4.37Å; V96-L129 HydrophobicContact CG2-CD2 3.62Å; P125-L129 WeakPolarHBondContact O-CB 3.35Å; P125-L129 PolarHBondContact O-N 3.15Å; A126-L129 PolarHBondContact O-N 3.1Å; L129-Q131 PolarHBondContact O-N 3.18Å
130	L	88.9	Confident	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.3	177.9	-61	-176.3	0	0	0	113.4	S72 Y74 F75 I93 L101 L104 A126 L132	S72-L130 PolarHBondContact OG-O 2.86Å; Y74-L130 HydrophobicContact CD1-CD2 3.6Å; Y74-L130 HydrophobicContact CE1-CD2 3.82Å; Y74-L130 HydrophobicContact CG-CD2 4.4Å; F75-L130 HydrophobicContact CE1-CD2 4.45Å; F75-L130 HydrophobicContact CE2-CD1 4.2Å; F75-L130 HydrophobicContact CE2-CD2 3.9Å; F75-L130 HydrophobicContact CZ-CD1 4.43Å; F75-L130 HydrophobicContact CZ-CD2 3.73Å; I93-L130 HydrophobicContact CD1-CD2 4.21Å; L101-L130 HydrophobicContact CD1-CD1 3.74Å; L104-L130 HydrophobicContact CB-CD1 4.26Å; L104-L130 HydrophobicContact CD1-CD1 3.87Å; A126-L130 WeakPolarHBondContact O-CG 3.35Å; A126-L130 PolarHBondContact O-N 3.25Å; L130-L132 VanDerWaalsContact C-N 3.28Å; L130-L132 HydrophobicContact CB-CD1 4.19Å; L130-L132 HydrophobicContact CB-CG 4.17Å; L130-L132 HydrophobicContact CD1-CD1 4.45Å; L130-L132 PolarHBondContact O-N 2.83Å
131	Q	89.2	Confident	88.6	Confident	86 Å²	86	46.6 Å²	46.6	40%	0.402	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	36.6	179.8	-58.6	-176.1	1.3	0	0	113.9	P73 A127 S128 L129 M133	P73-Q131 HydrophobicContact CG-CB 4.3Å; A127-Q131 PolarHBondContact O-N 3.5Å; S128-Q131 PolarHBondContact O-N 3.15Å; S128-Q131 VanDerWaalsContact O-N 3.11Å; L129-Q131 PolarHBondContact O-N 3.18Å; Q131-M133 HydrophobicContact CB-CE 3.95Å; Q131-M133 HydrophobicContact CG-CE 4.39Å; Q131-M133 PolarHBondContact O-N 3.32Å
132	L	90	Very high	88.8	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	22%	0.22	C	C	.	.			trans	-87.9	84.8	174.4	-65.4	172.4	0	0	0	109.7	C71 L104 I108 A127 L130 D134 V135 R136	C71-L132 WeakPolarHBondContact O-CD2 3.38Å; L104-L132 HydrophobicContact CB-CD1 4.22Å; L104-L132 HydrophobicContact CD2-CD1 3.93Å; I108-L132 HydrophobicContact CD1-CD2 4.49Å; I108-L132 HydrophobicContact CG1-CD2 4.26Å; A127-L132 HydrophobicContact CB-CB 4.47Å; A127-L132 PolarHBondContact O-N 3.23Å; L130-L132 VanDerWaalsContact C-N 3.28Å; L130-L132 HydrophobicContact CB-CD1 4.19Å; L130-L132 HydrophobicContact CB-CG 4.17Å; L130-L132 HydrophobicContact CD1-CD1 4.45Å; L130-L132 PolarHBondContact O-N 2.83Å; L132-D134 PolarHBondContact O-N 3.05Å; L132-V135 HydrophobicContact CB-CB 4.28Å; L132-V135 HydrophobicContact CB-CG2 4.2Å; L132-V135 PolarHBondContact O-N 2.98Å; L132-R136 PolarHBondContact O-N 2.9Å; L132-R136 VanDerWaalsContact O-N 3.08Å
133	M	87.5	Confident	88.7	Confident	85 Å²	85	39.8 Å²	39.8	42%	0.419	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-36.1	-170.9	-60.5	-60.3	156.1	0	0	113.5	Q131 R136 Q137	Q131-M133 HydrophobicContact CB-CE 3.95Å; Q131-M133 HydrophobicContact CG-CE 4.39Å; Q131-M133 PolarHBondContact O-N 3.32Å; M133-R136 WeakPolarHBondContact O-CB 3.36Å; M133-R136 PolarHBondContact O-N 3.32Å; M133-R136 PolarHBondContact SD-NH1 2.84Å; M133-R136 VanDerWaalsContact SD-NH1 3.4Å; M133-R136 PolarHBondContact SD-NH2 3.46Å; M133-Q137 PolarHBondContact O-N 3.4Å
134	D	88.5	Confident	88.6	Confident	109 Å²	109	43.8 Å²	43.8	58%	0.583	22%	0.222	S	C	*	.	H	α-helix	trans	-65.5	-41	179.2	-58.1	-42.2	0	0	0	111.8	Y107 L132 Q137 N138	Y107-D134 WeakPolarHBondContact OH-CB 3.49Å; L132-D134 PolarHBondContact O-N 3.05Å; D134-Q137 PolarHBondContact O-N 3.33Å; D134-N138 PolarHBondContact O-N 3.33Å; D134-N138 PolarHBondContact O-ND2 2.99Å
135	V	89.7	Confident	88.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-43.4	176.1	179.1	0	0	0	0	109.9	L104 Y107 I113 L123 A127 L132 Q137 N138 C139	L104-V135 HydrophobicContact CD2-CG1 3.97Å; L104-V135 HydrophobicContact CD2-CG2 4.42Å; Y107-V135 HydrophobicContact CD1-CG2 3.54Å; Y107-V135 HydrophobicContact CD2-CG2 4.19Å; Y107-V135 HydrophobicContact CE1-CG2 3.4Å; Y107-V135 VanDerWaalsContact CE1-CG2 3.4Å; Y107-V135 HydrophobicContact CE2-CG2 4.06Å; Y107-V135 HydrophobicContact CG-CG2 3.94Å; I113-V135 HydrophobicContact CD1-CG1 3.71Å; I113-V135 HydrophobicContact CD1-CG2 4.14Å; I113-V135 HydrophobicContact CG2-CG2 4.4Å; L123-V135 HydrophobicContact CD1-CG1 4.43Å; L123-V135 HydrophobicContact CD2-CG1 4.32Å; L123-V135 HydrophobicContact CG-CG1 4.2Å; A127-V135 HydrophobicContact CB-CB 3.97Å; A127-V135 HydrophobicContact CB-CG1 3.73Å; L132-V135 HydrophobicContact CB-CB 4.28Å; L132-V135 HydrophobicContact CB-CG2 4.2Å; L132-V135 PolarHBondContact O-N 2.98Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.35Å; V135-N138 PolarHBondContact O-N 3.11Å; V135-C139 PolarHBondContact O-N 3Å; V135-C139 PolarHBondContact O-SG 3.28Å; V135-C139 VanDerWaalsContact O-SG 3.32Å
136	R	88.6	Confident	88.5	Confident	82 Å²	82	49.5 Å²	49.5	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-46	175.7	-173.1	-175.7	70.8	-178.2	3.3	111.3	L124 L132 M133 C139 C140	L124-R136 HydrophobicContact CD1-CG 3.95Å; L132-R136 PolarHBondContact O-N 2.9Å; L132-R136 VanDerWaalsContact O-N 3.08Å; M133-R136 WeakPolarHBondContact O-CB 3.36Å; M133-R136 PolarHBondContact O-N 3.32Å; M133-R136 PolarHBondContact SD-NH1 2.84Å; M133-R136 VanDerWaalsContact SD-NH1 3.4Å; M133-R136 PolarHBondContact SD-NH2 3.46Å; R136-C139 PolarHBondContact O-N 2.91Å; R136-C140 PolarHBondContact O-N 3.39Å; R136-C140 PolarHBondContact O-SG 3.27Å; R136-C140 VanDerWaalsContact O-SG 3.33Å
137	Q	87.8	Confident	88.4	Confident	82 Å²	82	50.6 Å²	50.6	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-46.7	179.3	-169.7	61.3	47.1	0	0	111.6	M133 D134 V135 C139 C140 D141	M133-Q137 PolarHBondContact O-N 3.4Å; D134-Q137 PolarHBondContact O-N 3.33Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.35Å; Q137-C139 VanDerWaalsContact C-N 3.29Å; Q137-C139 PolarHBondContact O-N 3.5Å; Q137-C140 WeakPolarHBondContact O-CA 3.11Å; Q137-C140 WeakPolarHBondContact O-CB 3.47Å; Q137-C140 PolarHBondContact O-N 2.95Å; Q137-D141 PolarHBondContact NE2-OD1 2.69Å; Q137-D141 PolarHBondContact O-N 3.12Å
138	N	88.9	Confident	88.1	Confident	82 Å²	82	55.3 Å²	55.3	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-38.9	176.8	-79.5	-68.1	0	0	0	112.5	D134 V135 D141 F142	D134-N138 PolarHBondContact O-N 3.33Å; D134-N138 PolarHBondContact O-ND2 2.99Å; V135-N138 PolarHBondContact O-N 3.11Å; N138-D141 PolarHBondContact O-N 3.37Å; N138-F142 WeakPolarHBondContact O-CB 3.49Å; N138-F142 PolarHBondContact O-N 3.31Å
139	C	88.9	Confident	87.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-40.9	173.4	-70.2	0	0	0	0	112.2	V120 L124 V135 R136 Q137 F142 L143	V120-C139 HydrophobicContact CG2-CB 4.01Å; L124-C139 HydrophobicContact CB-CB 4.18Å; L124-C139 HydrophobicContact CD1-CB 3.45Å; L124-C139 VanDerWaalsContact CD1-CB 3.45Å; L124-C139 HydrophobicContact CG-CB 4.45Å; V135-C139 PolarHBondContact O-N 3Å; V135-C139 PolarHBondContact O-SG 3.28Å; V135-C139 VanDerWaalsContact O-SG 3.32Å; R136-C139 PolarHBondContact O-N 2.91Å; Q137-C139 VanDerWaalsContact C-N 3.29Å; Q137-C139 PolarHBondContact O-N 3.5Å; C139-F142 PolarHBondContact O-N 3.36Å; C139-L143 WeakPolarHBondContact O-CG 3.47Å; C139-L143 PolarHBondContact O-N 3.49Å
140	C	87.3	Confident	87.8	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-44.2	174.8	-69.8	0	0	0	0	112	R136 Q137 F142 L143 Q144	R136-C140 PolarHBondContact O-N 3.39Å; R136-C140 PolarHBondContact O-SG 3.27Å; R136-C140 VanDerWaalsContact O-SG 3.33Å; Q137-C140 WeakPolarHBondContact O-CA 3.11Å; Q137-C140 WeakPolarHBondContact O-CB 3.47Å; Q137-C140 PolarHBondContact O-N 2.95Å; C140-F142 VanDerWaalsContact C-N 3.34Å; C140-F142 PolarHBondContact O-N 3.24Å; C140-L143 PolarHBondContact O-N 3.46Å; C140-Q144 WeakPolarHBondContact O-CB 3.29Å; C140-Q144 PolarHBondContact O-N 3.09Å
141	D	87.4	Confident	87.7	Confident	71 Å²	71	57 Å²	57	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-39.9	178.7	-62.9	-14	0	0	0	110.9	Q137 N138 Q144 S145	Q137-D141 PolarHBondContact NE2-OD1 2.69Å; Q137-D141 PolarHBondContact O-N 3.12Å; N138-D141 PolarHBondContact O-N 3.37Å; D141-Q144 PolarHBondContact O-N 3.01Å; D141-S145 PolarHBondContact O-N 3.49Å
142	F	89.4	Confident	87.6	Confident	49 Å²	49	53 Å²	53	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-50.4	173.3	-179.7	-97.4	0	0	0	111.5	V115 E117 V120 N138 C139 C140 Q144 S145 Q146	V115-F142 HydrophobicContact CG1-CB 3.95Å; V115-F142 HydrophobicContact CG1-CD1 3.87Å; V115-F142 HydrophobicContact CG1-CD2 4.42Å; V115-F142 HydrophobicContact CG1-CG 3.81Å; E117-F142 HydrophobicContact CG-CE1 4.23Å; E117-F142 HydrophobicContact CG-CZ 3.99Å; V120-F142 HydrophobicContact CB-CD1 4.39Å; V120-F142 HydrophobicContact CG1-CE1 4.48Å; V120-F142 HydrophobicContact CG2-CD1 4.23Å; N138-F142 WeakPolarHBondContact O-CB 3.49Å; N138-F142 PolarHBondContact O-N 3.31Å; C139-F142 PolarHBondContact O-N 3.36Å; C140-F142 VanDerWaalsContact C-N 3.34Å; C140-F142 PolarHBondContact O-N 3.24Å; F142-Q144 VanDerWaalsContact C-N 3.28Å; F142-Q144 PolarHBondContact O-N 3.5Å; F142-S145 PolarHBondContact O-N 3.22Å; F142-S145 VanDerWaalsContact O-N 3.12Å; F142-S145 PolarHBondContact O-OG 2.63Å; F142-Q146 HydrophobicContact CE1-CG 4.18Å; F142-Q146 HydrophobicContact CE2-CG 4.41Å; F142-Q146 HydrophobicContact CZ-CG 4.08Å; F142-Q146 WeakPolarHBondContact O-CG 3.22Å; F142-Q146 PolarHBondContact O-N 2.92Å
143	L	88.5	Confident	87.4	Confident	15 Å²	15	52.8 Å²	52.8	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-37.2	177.6	-72.5	171.8	0	0	0	112.1	V120 C139 C140 S145 Q146 L147 I155 F158 L167	V120-L143 HydrophobicContact CG1-CD2 3.93Å; V120-L143 HydrophobicContact CG2-CD1 4.09Å; V120-L143 HydrophobicContact CG2-CD2 4.08Å; V120-L143 HydrophobicContact CG2-CG 3.87Å; C139-L143 WeakPolarHBondContact O-CG 3.47Å; C139-L143 PolarHBondContact O-N 3.49Å; C140-L143 PolarHBondContact O-N 3.46Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-Q146 PolarHBondContact O-N 2.69Å; L143-L147 PolarHBondContact O-N 3.31Å; L143-I155 HydrophobicContact CB-CG2 4.4Å; L143-I155 HydrophobicContact CD2-CD1 4.46Å; L143-I155 HydrophobicContact CD2-CG1 4.4Å; L143-F158 HydrophobicContact CD1-CD1 4.06Å; L143-F158 HydrophobicContact CD1-CE1 4.01Å; L143-L167 HydrophobicContact CB-CD1 4.06Å; L143-L167 HydrophobicContact CB-CD2 4Å; L143-L167 HydrophobicContact CD1-CD2 3.66Å; L143-L167 HydrophobicContact CG-CD2 4.49Å
144	Q	87.5	Confident	87.4	Confident	85 Å²	85	50.1 Å²	50.1	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-38.9	175.7	-173	175.6	-3.3	0	0	111.8	C140 D141 F142 Q146 L147 L167	C140-Q144 WeakPolarHBondContact O-CB 3.29Å; C140-Q144 PolarHBondContact O-N 3.09Å; D141-Q144 PolarHBondContact O-N 3.01Å; F142-Q144 VanDerWaalsContact C-N 3.28Å; F142-Q144 PolarHBondContact O-N 3.5Å; Q144-Q146 PolarHBondContact O-N 3.39Å; Q144-L147 HydrophobicContact CG-CD1 4.27Å; Q144-L147 PolarHBondContact O-N 3.24Å; Q144-L167 HydrophobicContact CB-CD1 4.32Å
145	S	86.2	Confident	87.3	Confident	80 Å²	80	45.6 Å²	45.6	56%	0.559	24%	0.241	S	C	*	.	H	α-helix	trans	-68.2	-20.2	176.6	78.4	0	0	0	0	114	D141 F142 L143	D141-S145 PolarHBondContact O-N 3.49Å; F142-S145 PolarHBondContact O-N 3.22Å; F142-S145 VanDerWaalsContact O-N 3.12Å; F142-S145 PolarHBondContact O-OG 2.63Å; L143-S145 VanDerWaalsContact C-N 3.34Å
146	Q	87.1	Confident	87.2	Confident	80 Å²	80	46.4 Å²	46.4	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	15.1	-177.6	-61.4	-55.2	-48	0	0	113.3	F142 L143 Q144 H148 N151	F142-Q146 HydrophobicContact CE1-CG 4.18Å; F142-Q146 HydrophobicContact CE2-CG 4.41Å; F142-Q146 HydrophobicContact CZ-CG 4.08Å; F142-Q146 WeakPolarHBondContact O-CG 3.22Å; F142-Q146 PolarHBondContact O-N 2.92Å; L143-Q146 PolarHBondContact O-N 2.69Å; Q144-Q146 PolarHBondContact O-N 3.39Å; Q146-H148 PolarHBondContact O-N 2.79Å; Q146-N151 PolarHBondContact O-ND2 2.81Å
147	L	87.3	Confident	87	Confident	27 Å²	27	44.3 Å²	44.3	14%	0.141	25%	0.245	C	C	.	.			trans	-63.2	121.8	176.2	-77.6	169.2	0	0	0	110.8	L143 Q144 C152 I155 A171 Y174	L143-L147 PolarHBondContact O-N 3.31Å; Q144-L147 HydrophobicContact CG-CD1 4.27Å; Q144-L147 PolarHBondContact O-N 3.24Å; L147-C152 HydrophobicContact CD2-CB 4.34Å; L147-I155 HydrophobicContact CD2-CB 4.32Å; L147-I155 HydrophobicContact CD2-CD1 3.93Å; L147-I155 HydrophobicContact CD2-CG2 4.09Å; L147-A171 HydrophobicContact CD2-CB 4.09Å; L147-Y174 HydrophobicContact CB-CD2 4.2Å; L147-Y174 HydrophobicContact CB-CE2 4.32Å; L147-Y174 HydrophobicContact CB-CG 4.33Å
148	H	85.8	Confident	86.9	Confident	100 Å²	100	42.5 Å²	42.5	46%	0.463	24%	0.236	S	C	.	.			trans	-137.1	151.5	179.7	-170.3	-96.4	0	0	0	110	Q146 T150 N151 C152	Q146-H148 PolarHBondContact O-N 2.79Å; H148-T150 PolarHBondContact ND1-N 2.85Å; H148-T150 PolarHBondContact ND1-OG1 2.77Å; H148-T150 PolarHBondContact O-N 3.17Å; H148-N151 WeakPolarHBondContact CA-OD1 3.1Å; H148-N151 PolarHBondContact N-OD1 2.97Å; H148-N151 PolarHBondContact O-N 3.23Å; H148-N151 PolarHBondContact O-OD1 2.89Å; H148-C152 WeakPolarHBondContact O-CB 3.38Å; H148-C152 PolarHBondContact O-N 3.48Å
149	P	83.6	Confident	86.8	Confident	11 Å²	11	38.6 Å²	38.6	7%	0.071	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27	-179.2	-28.8	36.4	0	0	0	114.7	Y174 H178 E181 V182	P149-Y174 HydrophobicContact CG-CE1 4.31Å; P149-H178 HydrophobicContact CG-CB 4.46Å; P149-E181 HydrophobicContact CB-CB 3.83Å; P149-E181 HydrophobicContact CG-CB 4.18Å; P149-E181 WeakPolarHBondContact CG-OE2 3.39Å; P149-V182 HydrophobicContact CB-CG2 4.19Å
150	T	84.8	Confident	86.6	Confident	86 Å²	86	43.2 Å²	43.2	53%	0.528	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.3	-179.5	58.4	0	0	0	0	115.1	H148	H148-T150 PolarHBondContact ND1-N 2.85Å; H148-T150 PolarHBondContact ND1-OG1 2.77Å; H148-T150 PolarHBondContact O-N 3.17Å
151	N	86.9	Confident	86.5	Confident	47 Å²	47	47.8 Å²	47.8	25%	0.251	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-8.8	-175.3	71.3	8.4	0	0	0	113.4	Q146 H148 L153 G154 I155 E187	Q146-N151 PolarHBondContact O-ND2 2.81Å; H148-N151 WeakPolarHBondContact CA-OD1 3.1Å; H148-N151 PolarHBondContact N-OD1 2.97Å; H148-N151 PolarHBondContact O-N 3.23Å; H148-N151 PolarHBondContact O-OD1 2.89Å; N151-L153 PolarHBondContact O-N 3.22Å; N151-G154 PolarHBondContact O-N 3.22Å; N151-I155 HydrophobicContact CB-CD1 4.47Å; N151-I155 WeakPolarHBondContact O-CG1 3.43Å; N151-I155 PolarHBondContact O-N 2.89Å; N151-E187 WeakPolarHBondContact CA-OE2 3.43Å
152	C	88.1	Confident	86.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-31.3	-172.1	66.3	0	0	0	0	112.8	L147 H148 R156 Y174 V182	L147-C152 HydrophobicContact CD2-CB 4.34Å; H148-C152 WeakPolarHBondContact O-CB 3.38Å; H148-C152 PolarHBondContact O-N 3.48Å; C152-R156 VanDerWaalsContact O-CB 3.24Å; C152-R156 WeakPolarHBondContact O-CB 3.16Å; C152-R156 PolarHBondContact O-N 3.12Å; C152-Y174 HydrophobicContact CB-CD1 3.93Å; C152-Y174 HydrophobicContact CB-CE1 4.47Å; C152-V182 VanDerWaalsContact SG-CG2 3.55Å
153	L	86.5	Confident	85.9	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-75.6	-38.9	178.2	-63.6	176.1	0	0	0	111	N151 R156 A157 A175 V182 E187 F188 L191	N151-L153 PolarHBondContact O-N 3.22Å; L153-R156 WeakPolarHBondContact O-CB 3.4Å; L153-R156 PolarHBondContact O-N 3.48Å; L153-A157 WeakPolarHBondContact O-CB 3.44Å; L153-A157 PolarHBondContact O-N 3.17Å; L153-A175 HydrophobicContact CD2-CB 4.28Å; L153-V182 HydrophobicContact CD1-CG1 3.55Å; L153-V182 HydrophobicContact CD2-CG1 4.08Å; L153-V182 HydrophobicContact CG-CG1 3.74Å; L153-E187 HydrophobicContact CB-CB 4.11Å; L153-E187 WeakPolarHBondContact CB-OE2 3.41Å; L153-E187 HydrophobicContact CD1-CB 4.12Å; L153-E187 PolarHBondContact N-OE2 3.3Å; L153-F188 HydrophobicContact CD1-CB 3.83Å; L153-F188 HydrophobicContact CD1-CD2 4.26Å; L153-L191 HydrophobicContact CB-CD2 4.46Å; L153-L191 HydrophobicContact CD1-CD1 3.88Å; L153-L191 HydrophobicContact CD1-CD2 4.48Å; L153-L191 HydrophobicContact CD1-CG 4.29Å; L153-L191 HydrophobicContact CD2-CD1 4.24Å
154	G	86.1	Confident	85.6	Confident	29 Å²	29	49.6 Å²	49.6	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-49.5	170.2	0	0	0	0	0	112.1	N151 R156 A157 F158 E187	N151-G154 PolarHBondContact O-N 3.22Å; G154-R156 VanDerWaalsContact C-N 3.3Å; G154-R156 PolarHBondContact O-N 3.34Å; G154-A157 PolarHBondContact O-N 3.26Å; G154-F158 WeakPolarHBondContact O-CB 3.42Å; G154-F158 PolarHBondContact O-N 2.81Å; G154-E187 PolarHBondContact N-OE2 3.42Å
155	I	87.3	Confident	85.5	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-39.7	176.3	-66.1	170.7	0	0	0	110.8	L143 L147 N151 F158 A159 L167 A171	L143-I155 HydrophobicContact CB-CG2 4.4Å; L143-I155 HydrophobicContact CD2-CD1 4.46Å; L143-I155 HydrophobicContact CD2-CG1 4.4Å; L147-I155 HydrophobicContact CD2-CB 4.32Å; L147-I155 HydrophobicContact CD2-CD1 3.93Å; L147-I155 HydrophobicContact CD2-CG2 4.09Å; N151-I155 HydrophobicContact CB-CD1 4.47Å; N151-I155 WeakPolarHBondContact O-CG1 3.43Å; N151-I155 PolarHBondContact O-N 2.89Å; I155-F158 PolarHBondContact O-N 3.38Å; I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 2.89Å; I155-L167 HydrophobicContact CG2-CD1 4.03Å; I155-L167 HydrophobicContact CG2-CD2 4.1Å; I155-L167 HydrophobicContact CG2-CG 4.1Å; I155-A171 HydrophobicContact CG2-CB 4.33Å
156	R	87.5	Confident	85.4	Confident	18 Å²	18	51.5 Å²	51.5	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-48.3	175.2	-171.7	-176.3	71.2	169.9	0.8	111.7	C152 L153 G154 F158 A159 D160 L168 A171 N172	C152-R156 VanDerWaalsContact O-CB 3.24Å; C152-R156 WeakPolarHBondContact O-CB 3.16Å; C152-R156 PolarHBondContact O-N 3.12Å; L153-R156 WeakPolarHBondContact O-CB 3.4Å; L153-R156 PolarHBondContact O-N 3.48Å; G154-R156 VanDerWaalsContact C-N 3.3Å; G154-R156 PolarHBondContact O-N 3.34Å; R156-F158 VanDerWaalsContact C-N 3.33Å; R156-A159 PolarHBondContact O-N 2.87Å; R156-D160 PolarHBondContact O-N 2.88Å; R156-L168 HydrophobicContact CG-CD1 3.63Å; R156-L168 VanDerWaalsContact O-CD1 3.29Å; R156-L168 WeakPolarHBondContact O-CD1 3.46Å; R156-A171 HydrophobicContact CB-CB 3.93Å; R156-A171 HydrophobicContact CG-CB 4.44Å; R156-N172 PolarHBondContact NH1-OD1 2.85Å
157	A	84.6	Confident	85.4	Confident	38 Å²	38	47.9 Å²	47.9	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-40.7	178.1	0	0	0	0	0	111.6	L153 G154 D160 V161	L153-A157 WeakPolarHBondContact O-CB 3.44Å; L153-A157 PolarHBondContact O-N 3.17Å; G154-A157 PolarHBondContact O-N 3.26Å; A157-D160 PolarHBondContact O-N 3.32Å; A157-V161 WeakPolarHBondContact O-CG2 3.22Å; A157-V161 PolarHBondContact O-N 2.98Å; A157-V161 VanDerWaalsContact O-N 3.12Å
158	F	84.9	Confident	85.4	Confident	43 Å²	43	49 Å²	49	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-43.6	175.8	-173.4	-108.4	0	0	0	112.1	L124 P125 L143 G154 I155 R156 D160 V161 H162	L124-F158 HydrophobicContact CB-CE1 4.15Å; L124-F158 HydrophobicContact CB-CZ 4.2Å; L124-F158 HydrophobicContact CD2-CD1 4.13Å; L124-F158 HydrophobicContact CD2-CE1 3.36Å; L124-F158 HydrophobicContact CD2-CZ 3.89Å; L124-F158 HydrophobicContact CG-CE1 4.33Å; P125-F158 HydrophobicContact CG-CZ 4.29Å; L143-F158 HydrophobicContact CD1-CD1 4.06Å; L143-F158 HydrophobicContact CD1-CE1 4.01Å; G154-F158 WeakPolarHBondContact O-CB 3.42Å; G154-F158 PolarHBondContact O-N 2.81Å; I155-F158 PolarHBondContact O-N 3.38Å; R156-F158 VanDerWaalsContact C-N 3.33Å; F158-D160 VanDerWaalsContact C-N 3.33Å; F158-D160 PolarHBondContact O-N 3.23Å; F158-V161 PolarHBondContact O-N 3.01Å; F158-H162 AromaticContact CD2-CD2 3.68Å; F158-H162 AromaticContact CD2-NE2 3.68Å; F158-H162 AromaticContact CE1-CD2 3.92Å; F158-H162 AromaticContact CE2-CD2 3.43Å; F158-H162 VanDerWaalsContact CE2-CD2 3.43Å; F158-H162 WeakPolarHBondContact CE2-CD2 3.47Å; F158-H162 AromaticContact CE2-NE2 3.22Å; F158-H162 WeakPolarHBondContact CE2-NE2 3.46Å; F158-H162 AromaticContact CZ-CD2 3.56Å; F158-H162 AromaticContact CZ-NE2 3.69Å; F158-H162 PolarHBondContact O-CD2 3.42Å; F158-H162 PolarHBondContact O-N 3.5Å; F158-H162 VanDerWaalsContact O-N 3.16Å
159	A	87.3	Confident	85.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-36.4	177	0	0	0	0	0	112.7	I155 R156 H162 T163 C164 L167 L168	I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 2.89Å; R156-A159 PolarHBondContact O-N 2.87Å; A159-H162 CarbonylContact O-C 3.54Å; A159-H162 PolarHBondContact O-N 2.91Å; A159-T163 PolarHBondContact O-N 2.88Å; A159-C164 HydrophobicContact CB-CB 4.26Å; A159-C164 PolarHBondContact O-N 2.97Å; A159-L167 HydrophobicContact CB-CB 4.13Å; A159-L167 HydrophobicContact CB-CD2 4Å; A159-L167 HydrophobicContact CB-CG 3.96Å; A159-L168 HydrophobicContact CB-CB 3.93Å; A159-L168 HydrophobicContact CB-CD1 4.38Å
160	D	85.1	Confident	85.4	Confident	97 Å²	97	54.1 Å²	54.1	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-48.2	176.6	-165.9	28	0	0	0	111.3	R156 A157 F158 H162 T163 L168	R156-D160 PolarHBondContact O-N 2.88Å; A157-D160 PolarHBondContact O-N 3.32Å; F158-D160 VanDerWaalsContact C-N 3.33Å; F158-D160 PolarHBondContact O-N 3.23Å; D160-H162 VanDerWaalsContact C-N 3.28Å; D160-H162 PolarHBondContact O-N 3.38Å; D160-T163 PolarHBondContact O-N 2.58Å; D160-T163 VanDerWaalsContact O-N 3.14Å; D160-L168 HydrophobicContact CB-CD1 3.99Å
161	V	84.8	Confident	85.5	Confident	110 Å²	110	50 Å²	50	67%	0.667	28%	0.28	S	S	*	.	H	α-helix	trans	-59.4	-38.7	177.9	172.6	0	0	0	0	111.9	A157 F158	A157-V161 WeakPolarHBondContact O-CG2 3.22Å; A157-V161 PolarHBondContact O-N 2.98Å; A157-V161 VanDerWaalsContact O-N 3.12Å; F158-V161 PolarHBondContact O-N 3.01Å
162	H	81.5	Confident	85.5	Confident	40 Å²	40	49.8 Å²	49.8	19%	0.185	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.8	-178.8	-62.3	-55.4	0	0	0	114	L124 P125 F158 A159 D160 C164	L124-H162 HydrophobicContact CD2-CB 3.91Å; P125-H162 VanDerWaalsContact CG-CE1 3.46Å; P125-H162 WeakPolarHBondContact CG-CE1 3.42Å; F158-H162 AromaticContact CD2-CD2 3.68Å; F158-H162 AromaticContact CD2-NE2 3.68Å; F158-H162 AromaticContact CE1-CD2 3.92Å; F158-H162 AromaticContact CE2-CD2 3.43Å; F158-H162 VanDerWaalsContact CE2-CD2 3.43Å; F158-H162 WeakPolarHBondContact CE2-CD2 3.47Å; F158-H162 AromaticContact CE2-NE2 3.22Å; F158-H162 WeakPolarHBondContact CE2-NE2 3.46Å; F158-H162 AromaticContact CZ-CD2 3.56Å; F158-H162 AromaticContact CZ-NE2 3.69Å; F158-H162 PolarHBondContact O-CD2 3.42Å; F158-H162 PolarHBondContact O-N 3.5Å; F158-H162 VanDerWaalsContact O-N 3.16Å; A159-H162 CarbonylContact O-C 3.54Å; A159-H162 PolarHBondContact O-N 2.91Å; D160-H162 VanDerWaalsContact C-N 3.28Å; D160-H162 PolarHBondContact O-N 3.38Å; H162-C164 PolarHBondContact O-N 2.87Å; H162-C164 VanDerWaalsContact O-N 3.12Å
163	T	82.2	Confident	85.2	Confident	120 Å²	120	51.3 Å²	51.3	74%	0.736	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.4	179.4	49.1	0	0	0	0	113.9	A159 D160 T165	A159-T163 PolarHBondContact O-N 2.88Å; D160-T163 PolarHBondContact O-N 2.58Å; D160-T163 VanDerWaalsContact O-N 3.14Å; T163-T165 PolarHBondContact O-N 2.84Å; T163-T165 VanDerWaalsContact O-N 3.12Å
164	C	83.6	Confident	85.2	Confident	13 Å²	13	53.5 Å²	53.5	9%	0.088	30%	0.3	C	S	.	.			trans	-83.6	82.8	175.5	-67.1	0	0	0	0	109	A159 H162 D166 L167 L168	A159-C164 HydrophobicContact CB-CB 4.26Å; A159-C164 PolarHBondContact O-N 2.97Å; H162-C164 PolarHBondContact O-N 2.87Å; H162-C164 VanDerWaalsContact O-N 3.12Å; C164-D166 VanDerWaalsContact C-N 3.31Å; C164-D166 PolarHBondContact O-N 3.46Å; C164-L167 HydrophobicContact CB-CB 4.15Å; C164-L167 PolarHBondContact O-N 3.03Å; C164-L168 VanDerWaalsContact O-CB 3.26Å; C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 PolarHBondContact O-N 3.28Å
165	T	84.3	Confident	85.1	Confident	97 Å²	97	52.1 Å²	52.1	60%	0.595	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-39.3	-172.5	51.9	0	0	0	0	113.4	T163 L168 Q169	T163-T165 PolarHBondContact O-N 2.84Å; T163-T165 VanDerWaalsContact O-N 3.12Å; T165-L168 PolarHBondContact O-N 2.96Å; T165-Q169 WeakPolarHBondContact O-CB 3.29Å; T165-Q169 PolarHBondContact O-N 3.3Å
166	D	83.8	Confident	84.9	Confident	107 Å²	107	52.2 Å²	52.2	57%	0.572	29%	0.286	S	S	*	.	H	α-helix	trans	-69.8	-48.3	-176.7	-60	-20.6	0	0	0	110.6	C164 L168 Q169 Q170	C164-D166 VanDerWaalsContact C-N 3.31Å; C164-D166 PolarHBondContact O-N 3.46Å; D166-L168 VanDerWaalsContact C-N 3.31Å; D166-L168 PolarHBondContact O-N 2.95Å; D166-Q169 PolarHBondContact O-N 3Å; D166-Q170 VanDerWaalsContact O-CG 3.31Å; D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.04Å
167	L	87.8	Confident	84.5	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-40.1	175.2	-177.7	63.2	0	0	0	111.4	L143 Q144 I155 A159 C164 Q169 Q170 A171	L143-L167 HydrophobicContact CB-CD1 4.06Å; L143-L167 HydrophobicContact CB-CD2 4Å; L143-L167 HydrophobicContact CD1-CD2 3.66Å; L143-L167 HydrophobicContact CG-CD2 4.49Å; Q144-L167 HydrophobicContact CB-CD1 4.32Å; I155-L167 HydrophobicContact CG2-CD1 4.03Å; I155-L167 HydrophobicContact CG2-CD2 4.1Å; I155-L167 HydrophobicContact CG2-CG 4.1Å; A159-L167 HydrophobicContact CB-CB 4.13Å; A159-L167 HydrophobicContact CB-CD2 4Å; A159-L167 HydrophobicContact CB-CG 3.96Å; C164-L167 HydrophobicContact CB-CB 4.15Å; C164-L167 PolarHBondContact O-N 3.03Å; L167-Q169 PolarHBondContact O-N 2.96Å; L167-Q170 PolarHBondContact O-N 3.49Å; L167-A171 VanDerWaalsContact O-CB 3.29Å; L167-A171 WeakPolarHBondContact O-CB 3.29Å; L167-A171 PolarHBondContact O-N 3.07Å
168	L	86.3	Confident	84.3	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176.5	-179.7	68.2	0	0	0	111.3	R156 A159 D160 C164 T165 D166 N172	R156-L168 HydrophobicContact CG-CD1 3.63Å; R156-L168 VanDerWaalsContact O-CD1 3.29Å; R156-L168 WeakPolarHBondContact O-CD1 3.46Å; A159-L168 HydrophobicContact CB-CB 3.93Å; A159-L168 HydrophobicContact CB-CD1 4.38Å; D160-L168 HydrophobicContact CB-CD1 3.99Å; C164-L168 VanDerWaalsContact O-CB 3.26Å; C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 PolarHBondContact O-N 3.28Å; T165-L168 PolarHBondContact O-N 2.96Å; D166-L168 VanDerWaalsContact C-N 3.31Å; D166-L168 PolarHBondContact O-N 2.95Å; L168-N172 VanDerWaalsContact O-CB 3.25Å; L168-N172 WeakPolarHBondContact O-CB 3.5Å; L168-N172 PolarHBondContact O-N 2.9Å
169	Q	85.3	Confident	84.3	Confident	134 Å²	134	52.5 Å²	52.5	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-64.9	-41.9	178.6	-175.3	175.1	-5.2	0	0	111.6	T165 D166 L167 A173	T165-Q169 WeakPolarHBondContact O-CB 3.29Å; T165-Q169 PolarHBondContact O-N 3.3Å; D166-Q169 PolarHBondContact O-N 3Å; L167-Q169 PolarHBondContact O-N 2.96Å; Q169-A173 WeakPolarHBondContact O-CB 3.36Å; Q169-A173 PolarHBondContact O-N 3.07Å
170	Q	84.2	Confident	83.9	Confident	85 Å²	85	54.6 Å²	54.6	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-47.1	177.4	-67	-60.5	-28.8	0	0	111.9	D166 L167 N172 A173 Y174	D166-Q170 VanDerWaalsContact O-CG 3.31Å; D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.04Å; L167-Q170 PolarHBondContact O-N 3.49Å; Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.11Å; Q170-A173 PolarHBondContact O-N 2.78Å; Q170-Y174 WeakPolarHBondContact O-CB 3.41Å; Q170-Y174 PolarHBondContact O-N 2.77Å
171	A	87.4	Confident	83.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-39.2	177.1	0	0	0	0	0	111.7	L147 I155 R156 L167 Y174 A175	L147-A171 HydrophobicContact CD2-CB 4.09Å; I155-A171 HydrophobicContact CG2-CB 4.33Å; R156-A171 HydrophobicContact CB-CB 3.93Å; R156-A171 HydrophobicContact CG-CB 4.44Å; L167-A171 VanDerWaalsContact O-CB 3.29Å; L167-A171 WeakPolarHBondContact O-CB 3.29Å; L167-A171 PolarHBondContact O-N 3.07Å; A171-Y174 PolarHBondContact O-N 2.81Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.65Å
172	N	86.6	Confident	83.8	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-43.4	175.9	-165.7	50.7	0	0	0	112.1	R156 L168 Q170 Y174 A175 E176	R156-N172 PolarHBondContact NH1-OD1 2.85Å; L168-N172 VanDerWaalsContact O-CB 3.25Å; L168-N172 WeakPolarHBondContact O-CB 3.5Å; L168-N172 PolarHBondContact O-N 2.9Å; Q170-N172 VanDerWaalsContact C-N 3.32Å; Q170-N172 PolarHBondContact O-N 3.11Å; N172-Y174 VanDerWaalsContact C-N 3.32Å; N172-Y174 PolarHBondContact O-N 3Å; N172-A175 PolarHBondContact O-N 2.97Å; N172-E176 WeakPolarHBondContact O-CB 2.92Å; N172-E176 VanDerWaalsContact O-CG 3.31Å; N172-E176 WeakPolarHBondContact O-CG 3.37Å; N172-E176 PolarHBondContact O-N 3.24Å
173	A	83.1	Confident	83.8	Confident	31 Å²	31	49.1 Å²	49.1	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-40.8	175	0	0	0	0	0	111.8	Q169 Q170 E176 Q177	Q169-A173 WeakPolarHBondContact O-CB 3.36Å; Q169-A173 PolarHBondContact O-N 3.07Å; Q170-A173 PolarHBondContact O-N 2.78Å; A173-E176 PolarHBondContact O-N 3.4Å; A173-Q177 WeakPolarHBondContact O-CB 3.38Å; A173-Q177 VanDerWaalsContact O-CG 3.27Å; A173-Q177 WeakPolarHBondContact O-CG 3.44Å; A173-Q177 PolarHBondContact O-N 2.98Å
174	Y	84.7	Confident	83.8	Confident	51 Å²	51	50.3 Å²	50.3	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-45.5	176.2	-169.7	-83.8	0	0	0	111.9	L147 P149 C152 Q170 A171 N172 E176 Q177 H178	L147-Y174 HydrophobicContact CB-CD2 4.2Å; L147-Y174 HydrophobicContact CB-CE2 4.32Å; L147-Y174 HydrophobicContact CB-CG 4.33Å; P149-Y174 HydrophobicContact CG-CE1 4.31Å; C152-Y174 HydrophobicContact CB-CD1 3.93Å; C152-Y174 HydrophobicContact CB-CE1 4.47Å; Q170-Y174 WeakPolarHBondContact O-CB 3.41Å; Q170-Y174 PolarHBondContact O-N 2.77Å; A171-Y174 PolarHBondContact O-N 2.81Å; N172-Y174 VanDerWaalsContact C-N 3.32Å; N172-Y174 PolarHBondContact O-N 3Å; Y174-E176 VanDerWaalsContact C-N 3.33Å; Y174-E176 PolarHBondContact O-N 3.35Å; Y174-Q177 PolarHBondContact O-N 3.26Å; Y174-H178 AromaticContact CD1-ND1 3.94Å; Y174-H178 AromaticContact CD2-ND1 3.95Å; Y174-H178 HydrophobicContact CE1-CB 4.24Å; Y174-H178 AromaticContact CE1-ND1 3.68Å; Y174-H178 AromaticContact CE2-CE1 3.69Å; Y174-H178 AromaticContact CE2-ND1 3.7Å; Y174-H178 AromaticContact CZ-CE1 3.8Å; Y174-H178 AromaticContact CZ-ND1 3.55Å; Y174-H178 PolarHBondContact O-N 3.43Å; Y174-H178 PolarHBondContact O-ND1 3.46Å
175	A	85.2	Confident	83.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-37.1	176.8	0	0	0	0	0	112.3	L153 A171 N172 F179	L153-A175 HydrophobicContact CD2-CB 4.28Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.65Å; N172-A175 PolarHBondContact O-N 2.97Å; A175-F179 WeakPolarHBondContact O-CA 3.44Å; A175-F179 PolarHBondContact O-N 2.95Å
176	E	83.4	Confident	83.5	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-34.7	173.3	-73.1	177.9	165.3	0	0	112.2	N172 A173 Y174 L199 S202 K204 T206	N172-E176 WeakPolarHBondContact O-CB 2.92Å; N172-E176 VanDerWaalsContact O-CG 3.31Å; N172-E176 WeakPolarHBondContact O-CG 3.37Å; N172-E176 PolarHBondContact O-N 3.24Å; A173-E176 PolarHBondContact O-N 3.4Å; Y174-E176 VanDerWaalsContact C-N 3.33Å; Y174-E176 PolarHBondContact O-N 3.35Å; E176-L199 HydrophobicContact CG-CD1 4.19Å; E176-S202 VanDerWaalsContact OE1-CB 3.31Å; E176-S202 WeakPolarHBondContact OE1-CB 3.21Å; E176-S202 PolarHBondContact OE1-OG 3.42Å; E176-K204 VanDerWaalsContact OE2-CB 3.3Å; E176-K204 WeakPolarHBondContact OE2-CB 3.29Å; E176-T206 PolarHBondContact O-N 2.81Å
177	Q	79.2	Confident	83.4	Confident	59 Å²	59	52 Å²	52	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-76.7	-40	179.6	-74.5	174	6.7	0	0	113.5	A173 Y174 T206	A173-Q177 WeakPolarHBondContact O-CB 3.38Å; A173-Q177 VanDerWaalsContact O-CG 3.27Å; A173-Q177 WeakPolarHBondContact O-CG 3.44Å; A173-Q177 PolarHBondContact O-N 2.98Å; Y174-Q177 PolarHBondContact O-N 3.26Å; Q177-T206 WeakPolarHBondContact O-CB 3.44Å
178	H	80.4	Confident	83.3	Confident	45 Å²	45	51.7 Å²	51.7	21%	0.208	26%	0.261	C	S	.	.	S	Bend	trans	-104.8	24.6	-176.3	-61.8	88.1	0	0	0	113	P149 Y174 P180 E181 V182	P149-H178 HydrophobicContact CG-CB 4.46Å; Y174-H178 AromaticContact CD1-ND1 3.94Å; Y174-H178 AromaticContact CD2-ND1 3.95Å; Y174-H178 HydrophobicContact CE1-CB 4.24Å; Y174-H178 AromaticContact CE1-ND1 3.68Å; Y174-H178 AromaticContact CE2-CE1 3.69Å; Y174-H178 AromaticContact CE2-ND1 3.7Å; Y174-H178 AromaticContact CZ-CE1 3.8Å; Y174-H178 AromaticContact CZ-ND1 3.55Å; Y174-H178 PolarHBondContact O-N 3.43Å; Y174-H178 PolarHBondContact O-ND1 3.46Å; H178-P180 VanDerWaalsContact C-N 3.34Å; H178-P180 VanDerWaalsContact O-N 3.14Å; H178-E181 PolarHBondContact O-N 3.12Å; H178-V182 HydrophobicContact CB-CG2 4.44Å; H178-V182 WeakPolarHBondContact O-CG2 3.43Å; H178-V182 PolarHBondContact O-N 3.32Å; H178-V182 VanDerWaalsContact O-N 3.12Å
179	F	84.3	Confident	83.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-49	-41.6	-174.4	-175.6	-98.1	0	0	0	115.4	A175 E181 V182 M183 F188 L199 L205 V207 V213 A216	A175-F179 WeakPolarHBondContact O-CA 3.44Å; A175-F179 PolarHBondContact O-N 2.95Å; F179-E181 PolarHBondContact O-N 2.91Å; F179-V182 PolarHBondContact O-N 3.14Å; F179-M183 HydrophobicContact CE1-CB 4.44Å; F179-M183 HydrophobicContact CE1-SD 4.21Å; F179-M183 HydrophobicContact CZ-CB 4.45Å; F179-M183 PolarHBondContact O-N 3.26Å; F179-F188 HydrophobicContact CE2-CE2 4.18Å; F179-L199 HydrophobicContact CD2-CD2 3.92Å; F179-L199 HydrophobicContact CD2-CG 4.16Å; F179-L199 HydrophobicContact CE2-CD2 3.65Å; F179-L199 HydrophobicContact CE2-CG 3.97Å; F179-L205 HydrophobicContact CB-CD1 4.24Å; F179-L205 HydrophobicContact CB-CD2 4.39Å; F179-L205 HydrophobicContact CB-CG 4.02Å; F179-L205 HydrophobicContact CD1-CD1 4.29Å; F179-L205 HydrophobicContact CD1-CD2 3.69Å; F179-L205 HydrophobicContact CD1-CG 4.17Å; F179-L205 HydrophobicContact CD2-CD1 3.52Å; F179-L205 HydrophobicContact CD2-CD2 4.42Å; F179-L205 HydrophobicContact CD2-CG 4.16Å; F179-L205 HydrophobicContact CE1-CD2 3.99Å; F179-L205 HydrophobicContact CE2-CD1 3.85Å; F179-L205 HydrophobicContact CG-CD1 3.74Å; F179-L205 HydrophobicContact CG-CD2 3.9Å; F179-L205 HydrophobicContact CG-CG 3.84Å; F179-L205 HydrophobicContact CZ-CD1 4.35Å; F179-L205 HydrophobicContact CZ-CD2 4.47Å; F179-V207 HydrophobicContact CD1-CG1 3.65Å; F179-V207 HydrophobicContact CE1-CG1 4.35Å; F179-V207 HydrophobicContact CG-CG1 4.46Å; F179-V213 HydrophobicContact CE1-CG2 4.43Å; F179-A216 HydrophobicContact CE1-CB 4.08Å; F179-A216 HydrophobicContact CZ-CB 3.9Å
180	P	79.9	Confident	83.1	Confident	44 Å²	44	48.7 Å²	48.7	29%	0.286	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-27.6	179.3	-24.2	35.4	0	0	0	114.4	H178 M183	H178-P180 VanDerWaalsContact C-N 3.34Å; H178-P180 VanDerWaalsContact O-N 3.14Å; P180-M183 HydrophobicContact CB-CE 4.31Å; P180-M183 VanDerWaalsContact O-CE 3.3Å; P180-M183 WeakPolarHBondContact O-CE 3.38Å; P180-M183 VanDerWaalsContact O-CG 3.31Å; P180-M183 WeakPolarHBondContact O-CG 3.34Å
181	E	81.4	Confident	83	Confident	115 Å²	115	45.1 Å²	45.1	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-87.5	-39.9	177.3	-65.3	175.2	-151.8	0	0	110.6	P149 H178 F179 M183 L184	P149-E181 HydrophobicContact CB-CB 3.83Å; P149-E181 HydrophobicContact CG-CB 4.18Å; P149-E181 WeakPolarHBondContact CG-OE2 3.39Å; H178-E181 PolarHBondContact O-N 3.12Å; F179-E181 PolarHBondContact O-N 2.91Å; E181-M183 VanDerWaalsContact C-N 3.32Å; E181-M183 PolarHBondContact O-N 3.46Å; E181-L184 PolarHBondContact O-N 2.9Å
182	V	85.2	Confident	82.9	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-39.5	178.6	176.7	0	0	0	0	111.8	P149 C152 L153 H178 F179 L184 G185	P149-V182 HydrophobicContact CB-CG2 4.19Å; C152-V182 VanDerWaalsContact SG-CG2 3.55Å; L153-V182 HydrophobicContact CD1-CG1 3.55Å; L153-V182 HydrophobicContact CD2-CG1 4.08Å; L153-V182 HydrophobicContact CG-CG1 3.74Å; H178-V182 HydrophobicContact CB-CG2 4.44Å; H178-V182 WeakPolarHBondContact O-CG2 3.43Å; H178-V182 PolarHBondContact O-N 3.32Å; H178-V182 VanDerWaalsContact O-N 3.12Å; F179-V182 PolarHBondContact O-N 3.14Å; V182-L184 PolarHBondContact O-N 3.06Å; V182-G185 PolarHBondContact O-N 3.36Å
183	M	82.6	Confident	82.7	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.079	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.2	-179.2	69.8	-179.8	-174.3	0	0	114.1	F179 P180 E181 F188 K212 A216	F179-M183 HydrophobicContact CE1-CB 4.44Å; F179-M183 HydrophobicContact CE1-SD 4.21Å; F179-M183 HydrophobicContact CZ-CB 4.45Å; F179-M183 PolarHBondContact O-N 3.26Å; P180-M183 HydrophobicContact CB-CE 4.31Å; P180-M183 VanDerWaalsContact O-CE 3.3Å; P180-M183 WeakPolarHBondContact O-CE 3.38Å; P180-M183 VanDerWaalsContact O-CG 3.31Å; P180-M183 WeakPolarHBondContact O-CG 3.34Å; E181-M183 VanDerWaalsContact C-N 3.32Å; E181-M183 PolarHBondContact O-N 3.46Å; M183-F188 HydrophobicContact CB-CD1 4.5Å; M183-K212 HydrophobicContact CE-CB 4.18Å; M183-K212 HydrophobicContact CE-CD 3.84Å; M183-K212 HydrophobicContact CE-CG 4.34Å; M183-K212 HydrophobicContact SD-CB 4.28Å; M183-A216 HydrophobicContact CB-CB 3.94Å; M183-A216 HydrophobicContact SD-CB 3.98Å
184	L	80.6	Confident	82.7	Confident	145 Å²	145	51.4 Å²	51.4	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.9	176.5	-62.4	173.7	0	0	0	112.4	E181 V182	E181-L184 PolarHBondContact O-N 2.9Å; V182-L184 PolarHBondContact O-N 3.06Å
185	G	81.5	Confident	82.7	Confident	18 Å²	18	51.8 Å²	51.8	19%	0.186	28%	0.276	C	S	.	.	S	Bend	trans	-77.7	150.8	-178.3	0	0	0	0	0	113.5	V182 E187 F188	V182-G185 PolarHBondContact O-N 3.36Å; G185-E187 VanDerWaalsContact C-N 3.27Å; G185-E187 PolarHBondContact O-N 2.98Å; G185-F188 PolarHBondContact O-N 2.84Å
186	E	80	Confident	82.7	Confident	172 Å²	172	51.8 Å²	51.8	80%	0.804	28%	0.276	S	S	*	.	H	α-helix	trans	-64.2	-31.8	176.6	-65.4	-173.6	170.3	0	0	112.5	F188 L189 S190	E186-F188 PolarHBondContact O-N 3.36Å; E186-L189 PolarHBondContact O-N 2.95Å; E186-L189 VanDerWaalsContact O-N 3.08Å; E186-S190 PolarHBondContact O-N 3.38Å
187	E	83.3	Confident	82.8	Confident	62 Å²	62	51.8 Å²	51.8	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-56.5	-37.1	176.7	-66.5	-164.9	162.6	0	0	111.7	N151 L153 G154 G185 L189 S190 L191	N151-E187 WeakPolarHBondContact CA-OE2 3.43Å; L153-E187 HydrophobicContact CB-CB 4.11Å; L153-E187 WeakPolarHBondContact CB-OE2 3.41Å; L153-E187 HydrophobicContact CD1-CB 4.12Å; L153-E187 PolarHBondContact N-OE2 3.3Å; G154-E187 PolarHBondContact N-OE2 3.42Å; G185-E187 VanDerWaalsContact C-N 3.27Å; G185-E187 PolarHBondContact O-N 2.98Å; E187-L189 PolarHBondContact O-N 2.81Å; E187-S190 PolarHBondContact O-N 3.34Å; E187-S190 PolarHBondContact O-OG 3.3Å; E187-L191 PolarHBondContact O-N 2.87Å
188	F	85.2	Confident	83	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-40.4	178.2	-179.8	-100.5	0	0	0	112.3	L153 F179 M183 G185 E186 S190 L191 V196 L199 A216 W220	L153-F188 HydrophobicContact CD1-CB 3.83Å; L153-F188 HydrophobicContact CD1-CD2 4.26Å; F179-F188 HydrophobicContact CE2-CE2 4.18Å; M183-F188 HydrophobicContact CB-CD1 4.5Å; G185-F188 PolarHBondContact O-N 2.84Å; E186-F188 PolarHBondContact O-N 3.36Å; F188-S190 PolarHBondContact O-N 3.06Å; F188-L191 HydrophobicContact CD2-CD1 3.81Å; F188-L191 HydrophobicContact CE2-CD1 4.29Å; F188-L191 WeakPolarHBondContact O-CB 3.42Å; F188-L191 WeakPolarHBondContact O-CG 3.23Å; F188-L191 PolarHBondContact O-N 3.49Å; F188-V196 HydrophobicContact CZ-CG1 4.36Å; F188-L199 HydrophobicContact CD2-CD2 4.46Å; F188-L199 HydrophobicContact CE2-CD2 4.13Å; F188-A216 HydrophobicContact CE1-CB 4.16Å; F188-A216 HydrophobicContact CZ-CB 4.14Å; F188-W220 HydrophobicContact CE1-CB 4.01Å; F188-W220 VanDerWaalsContact O-CD1 3.31Å
189	L	82.4	Confident	83.2	Confident	31 Å²	31	50.3 Å²	50.3	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-25.5	179.5	-60.6	177.4	0	0	0	112.5	E186 E187 Y223 R228	E186-L189 PolarHBondContact O-N 2.95Å; E186-L189 VanDerWaalsContact O-N 3.08Å; E187-L189 PolarHBondContact O-N 2.81Å; L189-Y223 HydrophobicContact CB-CD1 4.27Å; L189-Y223 HydrophobicContact CB-CD2 4.16Å; L189-Y223 HydrophobicContact CB-CE2 4.49Å; L189-Y223 HydrophobicContact CB-CG 4.05Å; L189-Y223 HydrophobicContact CD1-CD2 3.85Å; L189-Y223 HydrophobicContact CD1-CE2 4.31Å; L189-Y223 HydrophobicContact CD1-CG 4.4Å; L189-R228 PolarHBondContact O-NH1 3.36Å; L189-R228 PolarHBondContact O-NH2 2.86Å; L189-R228 VanDerWaalsContact O-NH2 3.08Å
190	S	83.6	Confident	83.3	Confident	88 Å²	88	50.3 Å²	50.3	62%	0.615	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.8	178	77	0	0	0	0	114.8	E186 E187 F188	E186-S190 PolarHBondContact O-N 3.38Å; E187-S190 PolarHBondContact O-N 3.34Å; E187-S190 PolarHBondContact O-OG 3.3Å; F188-S190 PolarHBondContact O-N 3.06Å
191	L	83.8	Confident	83.5	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.052	28%	0.282	C	S	.	.			trans	-65.3	150.9	-178.4	-68.1	179.1	0	0	0	113.1	L153 E187 F188 Q195 V196 W220	L153-L191 HydrophobicContact CB-CD2 4.46Å; L153-L191 HydrophobicContact CD1-CD1 3.88Å; L153-L191 HydrophobicContact CD1-CD2 4.48Å; L153-L191 HydrophobicContact CD1-CG 4.29Å; L153-L191 HydrophobicContact CD2-CD1 4.24Å; E187-L191 PolarHBondContact O-N 2.87Å; F188-L191 HydrophobicContact CD2-CD1 3.81Å; F188-L191 HydrophobicContact CE2-CD1 4.29Å; F188-L191 WeakPolarHBondContact O-CB 3.42Å; F188-L191 WeakPolarHBondContact O-CG 3.23Å; F188-L191 PolarHBondContact O-N 3.49Å; L191-Q195 HydrophobicContact CB-CB 4.36Å; L191-Q195 HydrophobicContact CD2-CB 4.39Å; L191-V196 HydrophobicContact CB-CG2 3.69Å; L191-V196 HydrophobicContact CD1-CG2 4.14Å; L191-W220 WeakPolarHBondContact O-CZ2 3.29Å; L191-W220 PolarHBondContact O-NE1 3.16Å; L191-W220 VanDerWaalsContact O-NE1 3.13Å
192	S	84.9	Confident	83.5	Confident	55 Å²	55	46.1 Å²	46.1	39%	0.385	26%	0.263	S	S	.	.			trans	-75	161.9	172.5	76.9	0	0	0	0	112.4	D194 Q195 V196	S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 3.12Å; S192-Q195 VanDerWaalsContact N-OE1 3.16Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 WeakPolarHBondContact OG-CG 3.33Å; S192-Q195 PolarHBondContact OG-OE1 3.44Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.42Å
193	L	82.5	Confident	82.9	Confident	26 Å²	26	48.7 Å²	48.7	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-54.2	-47.2	178.8	-179.8	67.2	0	0	0	112.5	Q195 V196 C197 W220 H231 L235	L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.34Å; L193-V196 PolarHBondContact O-N 2.83Å; L193-C197 WeakPolarHBondContact O-CB 3.43Å; L193-C197 PolarHBondContact O-N 3.23Å; L193-C197 PolarHBondContact O-SG 2.77Å; L193-W220 HydrophobicContact CB-CH2 4.4Å; L193-W220 HydrophobicContact CD1-CH2 4.12Å; L193-W220 HydrophobicContact CD1-CZ3 4.35Å; L193-H231 HydrophobicContact CD1-CB 3.59Å; L193-H231 HydrophobicContact CD2-CB 3.97Å; L193-H231 HydrophobicContact CG-CB 4.4Å; L193-L235 HydrophobicContact CD1-CD1 4.07Å; L193-L235 HydrophobicContact CD1-CD2 3.96Å; L193-L235 HydrophobicContact CD1-CG 3.9Å
194	D	83.1	Confident	82.3	Confident	125 Å²	125	53.2 Å²	53.2	67%	0.668	30%	0.296	S	S	*	.	H	α-helix	trans	-65.5	-36.6	-176.6	-65.2	-44.6	0	0	0	111.6	S192 S198	S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 3.12Å; D194-S198 VanDerWaalsContact O-CB 3.27Å; D194-S198 WeakPolarHBondContact O-CB 3.26Å; D194-S198 PolarHBondContact O-N 2.93Å
195	Q	83.9	Confident	82.1	Confident	60 Å²	60	46.3 Å²	46.3	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-68.4	-41.1	177	-71.3	174	-27.7	0	0	112	L191 S192 L193 L199	L191-Q195 HydrophobicContact CB-CB 4.36Å; L191-Q195 HydrophobicContact CD2-CB 4.39Å; S192-Q195 VanDerWaalsContact N-OE1 3.16Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 WeakPolarHBondContact OG-CG 3.33Å; S192-Q195 PolarHBondContact OG-OE1 3.44Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.34Å; Q195-L199 PolarHBondContact O-N 2.63Å; Q195-L199 VanDerWaalsContact O-N 3.12Å
196	V	86.1	Confident	81.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-48.4	175.8	178	0	0	0	0	110.1	F188 L191 S192 L193 S198 L199 I200 W220 L235	F188-V196 HydrophobicContact CZ-CG1 4.36Å; L191-V196 HydrophobicContact CB-CG2 3.69Å; L191-V196 HydrophobicContact CD1-CG2 4.14Å; S192-V196 WeakPolarHBondContact O-CG2 3.17Å; S192-V196 PolarHBondContact O-N 3.42Å; L193-V196 PolarHBondContact O-N 2.83Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 2.92Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L199 VanDerWaalsContact O-N 3.08Å; V196-I200 HydrophobicContact CG1-CG2 4.19Å; V196-I200 WeakPolarHBondContact O-CG1 3.31Å; V196-I200 PolarHBondContact O-N 3.24Å; V196-W220 HydrophobicContact CG2-CD2 4.29Å; V196-W220 HydrophobicContact CG2-CG 4.34Å; V196-W220 HydrophobicContact CG2-CZ2 4.31Å; V196-L235 HydrophobicContact CB-CD2 4.31Å; V196-L235 HydrophobicContact CG1-CD2 3.75Å
197	C	85.4	Confident	81.1	Confident	16 Å²	16	41 Å²	41	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-55	-45	176	-75.4	0	0	0	0	111.9	L193 L199 S201	L193-C197 WeakPolarHBondContact O-CB 3.43Å; L193-C197 PolarHBondContact O-N 3.23Å; L193-C197 PolarHBondContact O-SG 2.77Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 2.87Å; C197-S201 WeakPolarHBondContact O-CB 3.45Å; C197-S201 PolarHBondContact O-N 2.92Å; C197-S201 PolarHBondContact O-OG 3.36Å
198	S	83.8	Confident	80.1	Confident	71 Å²	71	43.2 Å²	43.2	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-42.6	176.3	179.6	0	0	0	0	112	D194 V196 S201	D194-S198 VanDerWaalsContact O-CB 3.27Å; D194-S198 WeakPolarHBondContact O-CB 3.26Å; D194-S198 PolarHBondContact O-N 2.93Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 2.92Å; S198-S201 PolarHBondContact O-OG 2.89Å; S198-S201 VanDerWaalsContact O-OG 3.07Å
199	L	84	Confident	79.4	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-50	179.5	-169.7	62.3	0	0	0	112	E176 F179 F188 Q195 V196 C197 S201 S202 L205	E176-L199 HydrophobicContact CG-CD1 4.19Å; F179-L199 HydrophobicContact CD2-CD2 3.92Å; F179-L199 HydrophobicContact CD2-CG 4.16Å; F179-L199 HydrophobicContact CE2-CD2 3.65Å; F179-L199 HydrophobicContact CE2-CG 3.97Å; F188-L199 HydrophobicContact CD2-CD2 4.46Å; F188-L199 HydrophobicContact CE2-CD2 4.13Å; Q195-L199 PolarHBondContact O-N 2.63Å; Q195-L199 VanDerWaalsContact O-N 3.12Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L199 VanDerWaalsContact O-N 3.08Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 2.87Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 3.4Å; L199-S202 WeakPolarHBondContact O-CB 3.38Å; L199-S202 PolarHBondContact O-N 3.41Å; L199-L205 HydrophobicContact CD1-CD1 4.32Å; L199-L205 HydrophobicContact CG-CD1 4.15Å; L199-L205 WeakPolarHBondContact O-CD1 3.29Å
200	I	85.4	Confident	79.3	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.4	-21.1	-177.1	68.1	176.1	0	0	0	113.4	V196 S202 V213 V217 L235 H238 R294	V196-I200 HydrophobicContact CG1-CG2 4.19Å; V196-I200 WeakPolarHBondContact O-CG1 3.31Å; V196-I200 PolarHBondContact O-N 3.24Å; I200-S202 VanDerWaalsContact C-N 3.32Å; I200-V213 HydrophobicContact CB-CG1 4.3Å; I200-V213 HydrophobicContact CG2-CG1 4.28Å; I200-V217 HydrophobicContact CD1-CG2 4.03Å; I200-V217 HydrophobicContact CG2-CG2 4.42Å; I200-L235 HydrophobicContact CD1-CB 4.3Å; I200-L235 HydrophobicContact CD1-CD2 3.69Å; I200-L235 WeakPolarHBondContact CD1-O 3.41Å; I200-H238 HydrophobicContact CD1-CB 3.77Å; I200-H238 HydrophobicContact CG1-CB 3.66Å; I200-R294 VanDerWaalsContact O-CZ 3.23Å; I200-R294 PolarHBondContact O-NH1 2.75Å; I200-R294 PolarHBondContact O-NH2 2.74Å
201	S	84.8	Confident	79.2	Confident	51 Å²	51	42.1 Å²	42.1	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-77.8	-19.3	175	61.3	0	0	0	0	112.7	C197 S198 L199 D203	C197-S201 WeakPolarHBondContact O-CB 3.45Å; C197-S201 PolarHBondContact O-N 2.92Å; C197-S201 PolarHBondContact O-OG 3.36Å; S198-S201 PolarHBondContact O-OG 2.89Å; S198-S201 VanDerWaalsContact O-OG 3.07Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact O-N 2.86Å
202	S	80.6	Confident	79	Confident	20 Å²	20	44.6 Å²	44.6	14%	0.14	26%	0.256	C	S	.	.			trans	-63.2	123.1	-176.3	-173.7	0	0	0	0	112.9	E176 L199 I200 K204 L205 R294	E176-S202 VanDerWaalsContact OE1-CB 3.31Å; E176-S202 WeakPolarHBondContact OE1-CB 3.21Å; E176-S202 PolarHBondContact OE1-OG 3.42Å; L199-S202 WeakPolarHBondContact O-CB 3.38Å; L199-S202 PolarHBondContact O-N 3.41Å; I200-S202 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.06Å; S202-K204 VanDerWaalsContact O-N 3.16Å; S202-K204 PolarHBondContact OG-N 3.38Å; S202-L205 PolarHBondContact O-N 3.25Å; S202-R294 PolarHBondContact O-NH1 3Å
203	D	72.4	Confident	79	Confident	56 Å²	56	42 Å²	42	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17	172.8	-89	-13.8	0	0	0	113	S201 R240 K292 T295	S201-D203 PolarHBondContact O-N 2.86Å; D203-R240 IonicContact OD1-CZ 3.02Å; D203-R240 VanDerWaalsContact OD1-CZ 3.23Å; D203-R240 IonicContact OD1-NH1 3.26Å; D203-R240 PolarHBondContact OD1-NH1 2.7Å; D203-R240 IonicContact OD1-NH2 2.7Å; D203-R240 PolarHBondContact OD1-NH2 3.29Å; D203-K292 IonicContact OD2-NZ 2.84Å; D203-K292 PolarHBondContact OD2-NZ 3.49Å; D203-T295 CarbonylContact O-C 3.54Å; D203-T295 VanDerWaalsContact O-C 3.22Å; D203-T295 PolarHBondContact O-N 2.97Å; D203-T295 VanDerWaalsContact O-O 3.07Å
204	K	70.6	Confident	79.1	Confident	111 Å²	111	40.9 Å²	40.9	48%	0.483	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.7	-172.3	-66.3	178.2	177.6	-178.1	0	114.6	E176 S202 T206 P296 V297	E176-K204 VanDerWaalsContact OE2-CB 3.3Å; E176-K204 WeakPolarHBondContact OE2-CB 3.29Å; S202-K204 PolarHBondContact O-N 3.06Å; S202-K204 VanDerWaalsContact O-N 3.16Å; S202-K204 PolarHBondContact OG-N 3.38Å; K204-T206 PolarHBondContact O-N 2.85Å; K204-P296 WeakPolarHBondContact O-CA 3.32Å; K204-V297 HydrophobicContact CB-CG2 4.1Å; K204-V297 HydrophobicContact CD-CG2 3.75Å; K204-V297 HydrophobicContact CG-CG2 3.9Å
205	L	75.9	Confident	79.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.			trans	-63.4	124.9	-178.5	-162.2	116.5	0	0	0	110.8	F179 L199 S202 V207 V213	F179-L205 HydrophobicContact CB-CD1 4.24Å; F179-L205 HydrophobicContact CB-CD2 4.39Å; F179-L205 HydrophobicContact CB-CG 4.02Å; F179-L205 HydrophobicContact CD1-CD1 4.29Å; F179-L205 HydrophobicContact CD1-CD2 3.69Å; F179-L205 HydrophobicContact CD1-CG 4.17Å; F179-L205 HydrophobicContact CD2-CD1 3.52Å; F179-L205 HydrophobicContact CD2-CD2 4.42Å; F179-L205 HydrophobicContact CD2-CG 4.16Å; F179-L205 HydrophobicContact CE1-CD2 3.99Å; F179-L205 HydrophobicContact CE2-CD1 3.85Å; F179-L205 HydrophobicContact CG-CD1 3.74Å; F179-L205 HydrophobicContact CG-CD2 3.9Å; F179-L205 HydrophobicContact CG-CG 3.84Å; F179-L205 HydrophobicContact CZ-CD1 4.35Å; F179-L205 HydrophobicContact CZ-CD2 4.47Å; L199-L205 HydrophobicContact CD1-CD1 4.32Å; L199-L205 HydrophobicContact CG-CD1 4.15Å; L199-L205 WeakPolarHBondContact O-CD1 3.29Å; S202-L205 PolarHBondContact O-N 3.25Å; L205-V207 HydrophobicContact CD2-CB 4.3Å; L205-V207 HydrophobicContact CD2-CG1 3.35Å; L205-V207 HydrophobicContact CD2-CG2 4.02Å; L205-V207 HydrophobicContact CG-CG1 4.33Å; L205-V207 PolarHBondContact O-N 3.19Å; L205-V213 HydrophobicContact CD2-CG2 3.62Å
206	T	71	Confident	79.3	Confident	47 Å²	47	35.6 Å²	35.6	29%	0.288	20%	0.204	S	C	.	.			trans	-90.7	98.7	-177.8	-54.5	0	0	0	0	109.5	E176 Q177 K204 P296	E176-T206 PolarHBondContact O-N 2.81Å; Q177-T206 WeakPolarHBondContact O-CB 3.44Å; K204-T206 PolarHBondContact O-N 2.85Å; T206-P296 HydrophobicContact CG2-CB 4.28Å; T206-P296 VanDerWaalsContact OG1-CB 3.27Å; T206-P296 WeakPolarHBondContact OG1-CB 3.33Å
207	V	69.6	Low	79.3	Confident	32 Å²	32	35.7 Å²	35.7	19%	0.194	20%	0.204	C	C	.	.			trans	-130.3	143.4	178.6	-75.1	0	0	0	0	111	F179 L205 S209 K212 V213	F179-V207 HydrophobicContact CD1-CG1 3.65Å; F179-V207 HydrophobicContact CE1-CG1 4.35Å; F179-V207 HydrophobicContact CG-CG1 4.46Å; L205-V207 HydrophobicContact CD2-CB 4.3Å; L205-V207 HydrophobicContact CD2-CG1 3.35Å; L205-V207 HydrophobicContact CD2-CG2 4.02Å; L205-V207 HydrophobicContact CG-CG1 4.33Å; L205-V207 PolarHBondContact O-N 3.19Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-K212 HydrophobicContact CG1-CB 4.48Å; V207-V213 HydrophobicContact CB-CG2 4.46Å; V207-V213 HydrophobicContact CG1-CG2 3.99Å; V207-V213 HydrophobicContact CG2-CG2 4.05Å
208	S	63.5	Low	79.3	Confident	108 Å²	108	35.6 Å²	35.6	76%	0.755	20%	0.203	S	C	*	.	S	Bend	trans	-68.7	-34.3	175.8	54.3	0	0	0	0	112.6
209	S	69.2	Low	79.4	Confident	33 Å²	33	34.7 Å²	34.7	23%	0.231	20%	0.196	C	C	.	.			trans	-152.1	154	176.9	59.3	0	0	0	0	109.6	V207 E211 K212	V207-S209 VanDerWaalsContact C-N 3.35Å; S209-E211 PolarHBondContact O-N 3.06Å; S209-E211 VanDerWaalsContact O-N 3.14Å; S209-E211 WeakPolarHBondContact OG-CB 3.29Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; S209-K212 PolarHBondContact O-N 3.21Å
210	E	82	Confident	79.5	Confident	14 Å²	14	34.9 Å²	34.9	7%	0.065	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-13.3	171.5	-79.3	-73.2	151.2	0	0	112.5	K212 V213 F214 R240 L243 L244 R294	E210-K212 PolarHBondContact O-N 2.56Å; E210-V213 PolarHBondContact O-N 3.11Å; E210-V213 VanDerWaalsContact O-N 3.15Å; E210-F214 PolarHBondContact O-N 3.23Å; E210-R240 HydrophobicContact CG-CB 3.99Å; E210-R240 IonicContact OE1-NE 2.94Å; E210-R240 PolarHBondContact OE2-N 2.81Å; E210-L243 HydrophobicContact CG-CB 4.28Å; E210-L244 VanDerWaalsContact C-CD2 3.49Å; E210-L244 HydrophobicContact CB-CD2 3.64Å; E210-L244 HydrophobicContact CB-CG 4.16Å; E210-R294 WeakPolarHBondContact OE1-CD 3.5Å; E210-R294 IonicContact OE1-CZ 2.8Å; E210-R294 IonicContact OE1-NE 3.25Å; E210-R294 PolarHBondContact OE1-NE 3.4Å; E210-R294 IonicContact OE1-NH2 2.91Å; E210-R294 IonicContact OE2-NE 3.27Å; E210-R294 IonicContact OE2-NH2 3.59Å
211	E	80.8	Confident	79.4	Confident	48 Å²	48	34.9 Å²	34.9	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-39.1	175.2	-57.8	164	168.6	0	0	110.4	S209 V213 F214 E215 L244 P245 Y248	S209-E211 PolarHBondContact O-N 3.06Å; S209-E211 VanDerWaalsContact O-N 3.14Å; S209-E211 WeakPolarHBondContact OG-CB 3.29Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; E211-V213 PolarHBondContact O-N 3.2Å; E211-F214 WeakPolarHBondContact O-CB 3.41Å; E211-F214 PolarHBondContact O-N 2.98Å; E211-E215 WeakPolarHBondContact O-CB 3.34Å; E211-E215 WeakPolarHBondContact O-CG 3.47Å; E211-E215 PolarHBondContact O-N 2.82Å; E211-L244 HydrophobicContact CB-CD2 4.25Å; E211-L244 HydrophobicContact CG-CD2 3.61Å; E211-L244 VanDerWaalsContact N-CD2 3.28Å; E211-P245 WeakPolarHBondContact OE1-CG 3.49Å; E211-Y248 HydrophobicContact CB-CE1 4.12Å; E211-Y248 HydrophobicContact CB-CE2 4.37Å; E211-Y248 HydrophobicContact CG-CD1 3.95Å; E211-Y248 HydrophobicContact CG-CD2 4.17Å; E211-Y248 HydrophobicContact CG-CE1 3.94Å; E211-Y248 HydrophobicContact CG-CE2 4.17Å; E211-Y248 HydrophobicContact CG-CG 4.06Å
212	K	80.6	Confident	79.4	Confident	62 Å²	62	35.5 Å²	35.5	27%	0.27	20%	0.197	S	C	.	.	H	α-helix	trans	-67.1	-36.2	178.1	-64	-48.7	-173.5	-175.1	0	113.2	M183 V207 S209 E210 F214 E215 A216	M183-K212 HydrophobicContact CE-CB 4.18Å; M183-K212 HydrophobicContact CE-CD 3.84Å; M183-K212 HydrophobicContact CE-CG 4.34Å; M183-K212 HydrophobicContact SD-CB 4.28Å; V207-K212 HydrophobicContact CG1-CB 4.48Å; S209-K212 PolarHBondContact O-N 3.21Å; E210-K212 PolarHBondContact O-N 2.56Å; K212-F214 VanDerWaalsContact C-N 3.35Å; K212-E215 WeakPolarHBondContact CD-OE2 3.39Å; K212-E215 IonicContact NZ-OE1 2.72Å; K212-E215 IonicContact NZ-OE2 3.21Å; K212-E215 PolarHBondContact NZ-OE2 3Å; K212-A216 WeakPolarHBondContact O-CB 3.34Å; K212-A216 PolarHBondContact O-N 2.76Å
213	V	84.6	Confident	79.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-41.4	174.6	-173.3	0	0	0	0	110.1	F179 I200 L205 V207 E210 E211 A216 V217 V239	F179-V213 HydrophobicContact CE1-CG2 4.43Å; I200-V213 HydrophobicContact CB-CG1 4.3Å; I200-V213 HydrophobicContact CG2-CG1 4.28Å; L205-V213 HydrophobicContact CD2-CG2 3.62Å; V207-V213 HydrophobicContact CB-CG2 4.46Å; V207-V213 HydrophobicContact CG1-CG2 3.99Å; V207-V213 HydrophobicContact CG2-CG2 4.05Å; E210-V213 PolarHBondContact O-N 3.11Å; E210-V213 VanDerWaalsContact O-N 3.15Å; E211-V213 PolarHBondContact O-N 3.2Å; V213-A216 PolarHBondContact O-N 2.8Å; V213-V217 WeakPolarHBondContact O-CG2 3.24Å; V213-V217 PolarHBondContact O-N 3.33Å; V213-V217 VanDerWaalsContact O-N 3.11Å; V213-V239 HydrophobicContact CG1-CG2 4.42Å
214	F	84.8	Confident	79.9	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-50.3	175.2	179.2	-100.1	0	0	0	112.1	E210 E211 K212 A216 V217 I218 M236 V239 L241 Y248 V253 I259	E210-F214 PolarHBondContact O-N 3.23Å; E211-F214 WeakPolarHBondContact O-CB 3.41Å; E211-F214 PolarHBondContact O-N 2.98Å; K212-F214 VanDerWaalsContact C-N 3.35Å; F214-A216 VanDerWaalsContact C-N 3.29Å; F214-A216 PolarHBondContact O-N 2.8Å; F214-V217 PolarHBondContact O-N 2.96Å; F214-I218 HydrophobicContact CD1-CG1 4.27Å; F214-I218 HydrophobicContact CE1-CD1 4.47Å; F214-I218 HydrophobicContact CE1-CG1 3.81Å; F214-I218 HydrophobicContact CE2-CD1 4.14Å; F214-I218 HydrophobicContact CE2-CG1 4.08Å; F214-I218 HydrophobicContact CZ-CD1 3.89Å; F214-I218 HydrophobicContact CZ-CG1 3.71Å; F214-I218 WeakPolarHBondContact O-CG1 3.45Å; F214-I218 PolarHBondContact O-N 2.93Å; F214-M236 HydrophobicContact CD2-CE 4.16Å; F214-M236 HydrophobicContact CD2-SD 4.28Å; F214-M236 HydrophobicContact CE2-CE 3.89Å; F214-M236 HydrophobicContact CE2-SD 4.11Å; F214-V239 HydrophobicContact CB-CG1 4.25Å; F214-V239 HydrophobicContact CD2-CG1 4.43Å; F214-L241 HydrophobicContact CD2-CD2 4.42Å; F214-Y248 HydrophobicContact CD1-CE1 4.08Å; F214-V253 HydrophobicContact CD1-CG2 4.32Å; F214-V253 HydrophobicContact CE1-CG2 4Å; F214-V253 HydrophobicContact CE2-CG1 4.01Å; F214-V253 HydrophobicContact CE2-CG2 4.28Å; F214-V253 HydrophobicContact CZ-CB 4.3Å; F214-V253 HydrophobicContact CZ-CG1 4.04Å; F214-V253 HydrophobicContact CZ-CG2 3.98Å; F214-I259 HydrophobicContact CE2-CD1 3.61Å; F214-I259 HydrophobicContact CZ-CD1 3.64Å
215	E	84.4	Confident	80.2	Confident	72 Å²	72	43 Å²	43	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-55.5	-43.2	175.8	-74.2	171.8	-169.8	0	0	111.7	E211 K212 I218 S219	E211-E215 WeakPolarHBondContact O-CB 3.34Å; E211-E215 WeakPolarHBondContact O-CG 3.47Å; E211-E215 PolarHBondContact O-N 2.82Å; K212-E215 WeakPolarHBondContact CD-OE2 3.39Å; K212-E215 IonicContact NZ-OE1 2.72Å; K212-E215 IonicContact NZ-OE2 3.21Å; K212-E215 PolarHBondContact NZ-OE2 3Å; E215-I218 PolarHBondContact O-N 3.3Å; E215-S219 WeakPolarHBondContact O-CB 3.49Å; E215-S219 PolarHBondContact O-N 2.82Å
216	A	84.9	Confident	80.1	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177.7	0	0	0	0	0	112.4	F179 M183 F188 K212 V213 F214 I218 S219 W220	F179-A216 HydrophobicContact CE1-CB 4.08Å; F179-A216 HydrophobicContact CZ-CB 3.9Å; M183-A216 HydrophobicContact CB-CB 3.94Å; M183-A216 HydrophobicContact SD-CB 3.98Å; F188-A216 HydrophobicContact CE1-CB 4.16Å; F188-A216 HydrophobicContact CZ-CB 4.14Å; K212-A216 WeakPolarHBondContact O-CB 3.34Å; K212-A216 PolarHBondContact O-N 2.76Å; V213-A216 PolarHBondContact O-N 2.8Å; F214-A216 VanDerWaalsContact C-N 3.29Å; F214-A216 PolarHBondContact O-N 2.8Å; A216-I218 PolarHBondContact O-N 2.97Å; A216-S219 PolarHBondContact O-N 2.77Å; A216-W220 WeakPolarHBondContact O-CB 3.45Å; A216-W220 PolarHBondContact O-N 2.91Å
217	V	86.6	Confident	80.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-43.6	177.2	170.3	0	0	0	0	111	I200 V213 F214 W220 I221 L235 M236 V239	I200-V217 HydrophobicContact CD1-CG2 4.03Å; I200-V217 HydrophobicContact CG2-CG2 4.42Å; V213-V217 WeakPolarHBondContact O-CG2 3.24Å; V213-V217 PolarHBondContact O-N 3.33Å; V213-V217 VanDerWaalsContact O-N 3.11Å; F214-V217 PolarHBondContact O-N 2.96Å; V217-W220 PolarHBondContact O-N 3.49Å; V217-I221 HydrophobicContact CG1-CD1 3.9Å; V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 2.65Å; V217-L235 HydrophobicContact CG1-CB 3.87Å; V217-L235 HydrophobicContact CG1-CD1 4.33Å; V217-M236 HydrophobicContact CG1-SD 4.45Å; V217-V239 HydrophobicContact CG2-CG2 3.95Å
218	I	85.7	Confident	80.9	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.072	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-42.3	178.1	-63.8	-61.9	0	0	0	111.3	F214 E215 A216 W220 I221 N222 E256 L258	F214-I218 HydrophobicContact CD1-CG1 4.27Å; F214-I218 HydrophobicContact CE1-CD1 4.47Å; F214-I218 HydrophobicContact CE1-CG1 3.81Å; F214-I218 HydrophobicContact CE2-CD1 4.14Å; F214-I218 HydrophobicContact CE2-CG1 4.08Å; F214-I218 HydrophobicContact CZ-CD1 3.89Å; F214-I218 HydrophobicContact CZ-CG1 3.71Å; F214-I218 WeakPolarHBondContact O-CG1 3.45Å; F214-I218 PolarHBondContact O-N 2.93Å; E215-I218 PolarHBondContact O-N 3.3Å; A216-I218 PolarHBondContact O-N 2.97Å; I218-W220 PolarHBondContact O-N 3.05Å; I218-I221 PolarHBondContact O-N 2.84Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.26Å; I218-N222 VanDerWaalsContact O-CB 3.32Å; I218-N222 WeakPolarHBondContact O-CB 3.27Å; I218-N222 VanDerWaalsContact O-CG 3.3Å; I218-N222 PolarHBondContact O-N 2.86Å; I218-N222 PolarHBondContact O-ND2 3.23Å; I218-E256 HydrophobicContact CD1-CG 4.13Å; I218-L258 HydrophobicContact CD1-CD1 4.11Å
219	S	85.1	Confident	81.6	Confident	52 Å²	52	51.4 Å²	51.4	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-45.7	175.9	-170	0	0	0	0	111.7	E215 A216 I221 N222 Y223	E215-S219 WeakPolarHBondContact O-CB 3.49Å; E215-S219 PolarHBondContact O-N 2.82Å; A216-S219 PolarHBondContact O-N 2.77Å; S219-I221 PolarHBondContact O-N 3.04Å; S219-N222 PolarHBondContact O-N 2.77Å; S219-Y223 PolarHBondContact O-N 2.74Å
220	W	87.1	Confident	82	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-38.7	179.2	-174.2	89.1	0	0	0	113.1	F188 L191 L193 V196 A216 V217 I218 R228 L235	F188-W220 HydrophobicContact CE1-CB 4.01Å; F188-W220 VanDerWaalsContact O-CD1 3.31Å; L191-W220 WeakPolarHBondContact O-CZ2 3.29Å; L191-W220 PolarHBondContact O-NE1 3.16Å; L191-W220 VanDerWaalsContact O-NE1 3.13Å; L193-W220 HydrophobicContact CB-CH2 4.4Å; L193-W220 HydrophobicContact CD1-CH2 4.12Å; L193-W220 HydrophobicContact CD1-CZ3 4.35Å; V196-W220 HydrophobicContact CG2-CD2 4.29Å; V196-W220 HydrophobicContact CG2-CG 4.34Å; V196-W220 HydrophobicContact CG2-CZ2 4.31Å; A216-W220 WeakPolarHBondContact O-CB 3.45Å; A216-W220 PolarHBondContact O-N 2.91Å; V217-W220 PolarHBondContact O-N 3.49Å; I218-W220 PolarHBondContact O-N 3.05Å; W220-R228 VanDerWaalsContact CE2-NH1 3.27Å; W220-R228 HydrophobicContact CE3-CB 4.45Å; W220-R228 HydrophobicContact CE3-CG 4.41Å; W220-R228 HydrophobicContact CH2-CB 4.37Å; W220-R228 HydrophobicContact CH2-CG 3.81Å; W220-R228 HydrophobicContact CZ2-CG 4.49Å; W220-R228 HydrophobicContact CZ3-CB 3.85Å; W220-R228 HydrophobicContact CZ3-CG 3.75Å; W220-R228 WeakPolarHBondContact O-CD 3.3Å; W220-R228 PolarHBondContact O-NH1 2.93Å; W220-L235 HydrophobicContact CE3-CD1 3.71Å; W220-L235 HydrophobicContact CZ3-CD1 3.56Å
221	I	84.3	Confident	81.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-39.9	175.4	-66.6	168.9	0	0	0	110.8	V217 I218 S219 Y223 E224 K225 M232 L235 L258	V217-I221 HydrophobicContact CG1-CD1 3.9Å; V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 2.65Å; I218-I221 PolarHBondContact O-N 2.84Å; S219-I221 PolarHBondContact O-N 3.04Å; I221-Y223 PolarHBondContact O-N 3.19Å; I221-E224 CarbonylContact O-C 3.59Å; I221-E224 PolarHBondContact O-N 2.84Å; I221-K225 WeakPolarHBondContact O-CA 3.22Å; I221-K225 PolarHBondContact O-N 2.8Å; I221-M232 HydrophobicContact CD1-CB 4.18Å; I221-M232 HydrophobicContact CD1-CG 4Å; I221-L235 HydrophobicContact CD1-CD1 4.23Å; I221-L235 HydrophobicContact CG1-CD1 4.18Å; I221-L258 HydrophobicContact CG2-CD1 4.15Å
222	N	84.1	Confident	81.8	Confident	65 Å²	65	58.1 Å²	58.1	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-22.1	-177.7	-82.5	-33.2	0	0	0	113.8	I218 S219 K225	I218-N222 WeakPolarHBondContact CG2-ND2 3.26Å; I218-N222 VanDerWaalsContact O-CB 3.32Å; I218-N222 WeakPolarHBondContact O-CB 3.27Å; I218-N222 VanDerWaalsContact O-CG 3.3Å; I218-N222 PolarHBondContact O-N 2.86Å; I218-N222 PolarHBondContact O-ND2 3.23Å; S219-N222 PolarHBondContact O-N 2.77Å; N222-K225 WeakPolarHBondContact OD1-CE 3.01Å
223	Y	83.3	Confident	81.8	Confident	142 Å²	142	56.3 Å²	56.3	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-66.8	-44	177.3	-172.5	-104.1	0	0	0	112.8	L189 S219 I221	L189-Y223 HydrophobicContact CB-CD1 4.27Å; L189-Y223 HydrophobicContact CB-CD2 4.16Å; L189-Y223 HydrophobicContact CB-CE2 4.49Å; L189-Y223 HydrophobicContact CB-CG 4.05Å; L189-Y223 HydrophobicContact CD1-CD2 3.85Å; L189-Y223 HydrophobicContact CD1-CE2 4.31Å; L189-Y223 HydrophobicContact CD1-CG 4.4Å; S219-Y223 PolarHBondContact O-N 2.74Å; I221-Y223 PolarHBondContact O-N 3.19Å
224	E	79.7	Confident	81.7	Confident	89 Å²	89	62.5 Å²	62.5	42%	0.416	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	75.1	174.3	-66.4	171.1	173.3	0	0	110.7	I221 E226 T227 R228	I221-E224 CarbonylContact O-C 3.59Å; I221-E224 PolarHBondContact O-N 2.84Å; E224-E226 VanDerWaalsContact C-N 3.33Å; E224-E226 PolarHBondContact O-N 3.09Å; E224-T227 PolarHBondContact O-OG1 3.46Å; E224-R228 HydrophobicContact CB-CG 4.07Å; E224-R228 VanDerWaalsContact CD-NH2 3.26Å; E224-R228 VanDerWaalsContact O-CB 3.29Å; E224-R228 WeakPolarHBondContact O-CB 3.46Å; E224-R228 WeakPolarHBondContact O-CG 3.19Å; E224-R228 PolarHBondContact O-N 2.8Å; E224-R228 VanDerWaalsContact O-N 3.09Å; E224-R228 IonicContact OE1-NH2 2.77Å; E224-R228 IonicContact OE2-CZ 2.65Å; E224-R228 VanDerWaalsContact OE2-CZ 3.26Å; E224-R228 IonicContact OE2-NE 2.65Å; E224-R228 PolarHBondContact OE2-NE 2.98Å; E224-R228 IonicContact OE2-NH2 2.9Å; E224-R228 PolarHBondContact OE2-NH2 3.34Å
225	K	76.4	Confident	81.7	Confident	114 Å²	114	62.3 Å²	62.3	50%	0.496	30%	0.302	S	S	.	.	H	α-helix	trans	-56	-44.2	-173.1	-69.1	177.7	177.2	-176.8	0	113.2	I221 N222 T227 L229	I221-K225 WeakPolarHBondContact O-CA 3.22Å; I221-K225 PolarHBondContact O-N 2.8Å; N222-K225 WeakPolarHBondContact OD1-CE 3.01Å; K225-T227 PolarHBondContact O-N 3.09Å; K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CD1 3.33Å; K225-L229 WeakPolarHBondContact O-CG 3.44Å; K225-L229 PolarHBondContact O-N 2.91Å
226	E	73.8	Confident	81.6	Confident	186 Å²	186	59 Å²	59	87%	0.869	29%	0.286	S	S	*	.	H	α-helix	trans	-67	-36.6	-170	-63.9	-172.5	166.9	0	0	113.5	E224	E224-E226 VanDerWaalsContact C-N 3.33Å; E224-E226 PolarHBondContact O-N 3.09Å
227	T	76.5	Confident	81.6	Confident	85 Å²	85	63.8 Å²	63.8	52%	0.521	31%	0.309	S	S	.	.	H	α-helix	trans	-92	-36	-178.6	52	0	0	0	0	112.4	E224 K225	E224-T227 PolarHBondContact O-OG1 3.46Å; K225-T227 PolarHBondContact O-N 3.09Å
228	R	81.6	Confident	81.5	Confident	15 Å²	15	66.8 Å²	66.8	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-85.7	-14.2	-171.7	-61.4	177.5	-175.5	-169.5	-0.8	114	L189 W220 E224 E230 H231	L189-R228 PolarHBondContact O-NH1 3.36Å; L189-R228 PolarHBondContact O-NH2 2.86Å; L189-R228 VanDerWaalsContact O-NH2 3.08Å; W220-R228 VanDerWaalsContact CE2-NH1 3.27Å; W220-R228 HydrophobicContact CE3-CB 4.45Å; W220-R228 HydrophobicContact CE3-CG 4.41Å; W220-R228 HydrophobicContact CH2-CB 4.37Å; W220-R228 HydrophobicContact CH2-CG 3.81Å; W220-R228 HydrophobicContact CZ2-CG 4.49Å; W220-R228 HydrophobicContact CZ3-CB 3.85Å; W220-R228 HydrophobicContact CZ3-CG 3.75Å; W220-R228 WeakPolarHBondContact O-CD 3.3Å; W220-R228 PolarHBondContact O-NH1 2.93Å; E224-R228 HydrophobicContact CB-CG 4.07Å; E224-R228 VanDerWaalsContact CD-NH2 3.26Å; E224-R228 VanDerWaalsContact O-CB 3.29Å; E224-R228 WeakPolarHBondContact O-CB 3.46Å; E224-R228 WeakPolarHBondContact O-CG 3.19Å; E224-R228 PolarHBondContact O-N 2.8Å; E224-R228 VanDerWaalsContact O-N 3.09Å; E224-R228 IonicContact OE1-NH2 2.77Å; E224-R228 IonicContact OE2-CZ 2.65Å; E224-R228 VanDerWaalsContact OE2-CZ 3.26Å; E224-R228 IonicContact OE2-NE 2.65Å; E224-R228 PolarHBondContact OE2-NE 2.98Å; E224-R228 IonicContact OE2-NH2 2.9Å; E224-R228 PolarHBondContact OE2-NH2 3.34Å; R228-E230 VanDerWaalsContact C-N 3.25Å; R228-E230 PolarHBondContact O-N 3.46Å; R228-H231 PolarHBondContact O-N 2.96Å
229	L	77.3	Confident	81.4	Confident	76 Å²	76	66.1 Å²	66.1	40%	0.398	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.5	-38	175.7	-91.8	165.6	0	0	0	112.8	K225 H231 M232 L258	K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CD1 3.33Å; K225-L229 WeakPolarHBondContact O-CG 3.44Å; K225-L229 PolarHBondContact O-N 2.91Å; L229-H231 PolarHBondContact O-N 3.08Å; L229-M232 VanDerWaalsContact O-CB 3.32Å; L229-M232 WeakPolarHBondContact O-CB 3.45Å; L229-M232 PolarHBondContact O-N 2.95Å; L229-L258 HydrophobicContact CD2-CD2 3.57Å
230	E	78.3	Confident	81.3	Confident	167 Å²	167	64.1 Å²	64.1	78%	0.78	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25.6	179.2	-62.7	-169.3	167.2	0	0	112.7	R228	R228-E230 VanDerWaalsContact C-N 3.25Å; R228-E230 PolarHBondContact O-N 3.46Å
231	H	78.9	Confident	81	Confident	69 Å²	69	64 Å²	64	32%	0.319	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-90.2	-4.5	-177.2	-58.8	-38	0	0	0	114	L193 R228 L229 A233 K234 L235	L193-H231 HydrophobicContact CD1-CB 3.59Å; L193-H231 HydrophobicContact CD2-CB 3.97Å; L193-H231 HydrophobicContact CG-CB 4.4Å; R228-H231 PolarHBondContact O-N 2.96Å; L229-H231 PolarHBondContact O-N 3.08Å; H231-A233 VanDerWaalsContact C-N 3.31Å; H231-A233 PolarHBondContact O-N 2.78Å; H231-K234 PolarHBondContact O-N 3.37Å; H231-L235 PolarHBondContact O-N 2.99Å
232	M	80	Confident	80.8	Confident	1 Å²	1	64 Å²	64	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-54.6	-43.8	-177	-175.6	-179.1	-170.8	0	0	113.1	I221 L229 K234 L235 M236 L258 I259	I221-M232 HydrophobicContact CD1-CB 4.18Å; I221-M232 HydrophobicContact CD1-CG 4Å; L229-M232 VanDerWaalsContact O-CB 3.32Å; L229-M232 WeakPolarHBondContact O-CB 3.45Å; L229-M232 PolarHBondContact O-N 2.95Å; M232-K234 VanDerWaalsContact C-N 3.33Å; M232-K234 PolarHBondContact O-N 3.47Å; M232-L235 PolarHBondContact O-N 3.22Å; M232-M236 HydrophobicContact CE-CG 4.36Å; M232-M236 HydrophobicContact CG-CG 4.13Å; M232-M236 WeakPolarHBondContact O-CB 3.41Å; M232-M236 VanDerWaalsContact O-CG 3.27Å; M232-M236 WeakPolarHBondContact O-CG 3.44Å; M232-M236 PolarHBondContact O-N 3.26Å; M232-L258 HydrophobicContact CE-CB 3.55Å; M232-L258 HydrophobicContact SD-CB 3.84Å; M232-I259 HydrophobicContact CE-CB 4.34Å; M232-I259 HydrophobicContact CE-CD1 4.45Å; M232-I259 HydrophobicContact CE-CG1 3.4Å
233	A	80.7	Confident	80.3	Confident	24 Å²	24	63.5 Å²	63.5	20%	0.198	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-38.9	-177.4	0	0	0	0	0	112.4	H231 E237 T264	H231-A233 VanDerWaalsContact C-N 3.31Å; H231-A233 PolarHBondContact O-N 2.78Å; A233-E237 PolarHBondContact O-N 3.06Å; A233-T264 HydrophobicContact CB-CG2 4.31Å
234	K	83.1	Confident	80.1	Confident	130 Å²	130	56.9 Å²	56.9	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-67.3	-41.6	176.5	-89.8	-178.9	173.1	-179.5	0	112.1	H231 M232 E237 H238	H231-K234 PolarHBondContact O-N 3.37Å; M232-K234 VanDerWaalsContact C-N 3.33Å; M232-K234 PolarHBondContact O-N 3.47Å; K234-E237 PolarHBondContact O-N 3.31Å; K234-H238 PolarHBondContact O-CD2 3.26Å
235	L	83.8	Confident	79.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-43	178.8	-70.3	166.3	0	0	0	111.5	L193 V196 I200 V217 W220 I221 H231 M232 E237 H238	L193-L235 HydrophobicContact CD1-CD1 4.07Å; L193-L235 HydrophobicContact CD1-CD2 3.96Å; L193-L235 HydrophobicContact CD1-CG 3.9Å; V196-L235 HydrophobicContact CB-CD2 4.31Å; V196-L235 HydrophobicContact CG1-CD2 3.75Å; I200-L235 HydrophobicContact CD1-CB 4.3Å; I200-L235 HydrophobicContact CD1-CD2 3.69Å; I200-L235 WeakPolarHBondContact CD1-O 3.41Å; V217-L235 HydrophobicContact CG1-CB 3.87Å; V217-L235 HydrophobicContact CG1-CD1 4.33Å; W220-L235 HydrophobicContact CE3-CD1 3.71Å; W220-L235 HydrophobicContact CZ3-CD1 3.56Å; I221-L235 HydrophobicContact CD1-CD1 4.23Å; I221-L235 HydrophobicContact CG1-CD1 4.18Å; H231-L235 PolarHBondContact O-N 2.99Å; M232-L235 PolarHBondContact O-N 3.22Å; L235-E237 PolarHBondContact O-N 3.12Å; L235-H238 PolarHBondContact O-N 3.17Å; L235-H238 VanDerWaalsContact O-N 3.11Å
236	M	83.1	Confident	79.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-24.1	-179.6	-71.7	-61.3	-63.3	0	0	113.5	F214 V217 M232 H238 V239 L241 I259 F268	F214-M236 HydrophobicContact CD2-CE 4.16Å; F214-M236 HydrophobicContact CD2-SD 4.28Å; F214-M236 HydrophobicContact CE2-CE 3.89Å; F214-M236 HydrophobicContact CE2-SD 4.11Å; V217-M236 HydrophobicContact CG1-SD 4.45Å; M232-M236 HydrophobicContact CE-CG 4.36Å; M232-M236 HydrophobicContact CG-CG 4.13Å; M232-M236 WeakPolarHBondContact O-CB 3.41Å; M232-M236 VanDerWaalsContact O-CG 3.27Å; M232-M236 WeakPolarHBondContact O-CG 3.44Å; M232-M236 PolarHBondContact O-N 3.26Å; M236-H238 PolarHBondContact O-N 3.21Å; M236-V239 PolarHBondContact O-N 3.23Å; M236-V239 HydrophobicContact SD-CG2 4.27Å; M236-L241 HydrophobicContact CE-CD1 3.86Å; M236-L241 HydrophobicContact CE-CD2 3.94Å; M236-L241 HydrophobicContact CE-CG 4.24Å; M236-I259 HydrophobicContact CE-CD1 4.2Å; M236-F268 HydrophobicContact CB-CD2 4.15Å; M236-F268 HydrophobicContact CB-CE2 4.39Å
237	E	83.9	Confident	79.9	Confident	104 Å²	104	55.3 Å²	55.3	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-28.4	173.3	-172.7	176.4	-179.9	0	0	112.4	A233 K234 L235 F268 R290	A233-E237 PolarHBondContact O-N 3.06Å; K234-E237 PolarHBondContact O-N 3.31Å; L235-E237 PolarHBondContact O-N 3.12Å; E237-F268 HydrophobicContact CB-CE2 4.16Å; E237-F268 HydrophobicContact CB-CZ 4.01Å; E237-F268 HydrophobicContact CG-CZ 4.22Å; E237-R290 VanDerWaalsContact O-CD 3.29Å; E237-R290 WeakPolarHBondContact O-CD 3.45Å; E237-R290 WeakPolarHBondContact O-CG 3.41Å
238	H	84.3	Confident	79.9	Confident	63 Å²	63	53 Å²	53	29%	0.292	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.5	-179.7	-60	-51.2	0	0	0	113.9	I200 K234 L235 M236 R294	I200-H238 HydrophobicContact CD1-CB 3.77Å; I200-H238 HydrophobicContact CG1-CB 3.66Å; K234-H238 PolarHBondContact O-CD2 3.26Å; L235-H238 PolarHBondContact O-N 3.17Å; L235-H238 VanDerWaalsContact O-N 3.11Å; M236-H238 PolarHBondContact O-N 3.21Å; H238-R294 PolarHBondContact O-NH2 3.29Å
239	V	83.9	Confident	79.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-85.9	128.6	173.1	-176.8	0	0	0	0	109.5	V213 F214 V217 M236 L241	V213-V239 HydrophobicContact CG1-CG2 4.42Å; F214-V239 HydrophobicContact CB-CG1 4.25Å; F214-V239 HydrophobicContact CD2-CG1 4.43Å; V217-V239 HydrophobicContact CG2-CG2 3.95Å; M236-V239 PolarHBondContact O-N 3.23Å; M236-V239 HydrophobicContact SD-CG2 4.27Å; V239-L241 VanDerWaalsContact C-N 3.25Å; V239-L241 HydrophobicContact CG1-CD2 3.94Å; V239-L241 HydrophobicContact CG1-CG 4.39Å; V239-L241 PolarHBondContact O-N 3.38Å
240	R	83.3	Confident	79.9	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.042	25%	0.248	C	C	.	.			trans	-88.1	63.9	-174.5	-51.6	-178.7	-165.6	-158.2	-3.7	111	D203 E210 P242 L243 R290 K292 P293	D203-R240 IonicContact OD1-CZ 3.02Å; D203-R240 VanDerWaalsContact OD1-CZ 3.23Å; D203-R240 IonicContact OD1-NH1 3.26Å; D203-R240 PolarHBondContact OD1-NH1 2.7Å; D203-R240 IonicContact OD1-NH2 2.7Å; D203-R240 PolarHBondContact OD1-NH2 3.29Å; E210-R240 HydrophobicContact CG-CB 3.99Å; E210-R240 IonicContact OE1-NE 2.94Å; E210-R240 PolarHBondContact OE2-N 2.81Å; R240-P242 VanDerWaalsContact C-N 3.28Å; R240-P242 VanDerWaalsContact O-N 3.14Å; R240-L243 HydrophobicContact CB-CB 4.46Å; R240-L243 HydrophobicContact CB-CD1 3.79Å; R240-L243 HydrophobicContact CB-CG 4.15Å; R240-L243 HydrophobicContact CG-CD1 4.47Å; R240-L243 WeakPolarHBondContact O-CB 3.47Å; R240-L243 PolarHBondContact O-N 3.26Å; R240-R290 WeakPolarHBondContact CB-O 3.4Å; R240-K292 VanDerWaalsContact CD-O 3.26Å; R240-K292 WeakPolarHBondContact CD-O 3.39Å; R240-K292 PolarHBondContact NH1-O 3.47Å; R240-P293 VanDerWaalsContact NH1-C 3.33Å; R240-P293 PolarHBondContact NH1-O 2.83Å
241	L	81.8	Confident	80	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-47.9	-38.5	-180	-62.6	178.8	0	0	0	114.8	F214 M236 V239 L243 L244 L249 V253 F268 A272	F214-L241 HydrophobicContact CD2-CD2 4.42Å; M236-L241 HydrophobicContact CE-CD1 3.86Å; M236-L241 HydrophobicContact CE-CD2 3.94Å; M236-L241 HydrophobicContact CE-CG 4.24Å; V239-L241 VanDerWaalsContact C-N 3.25Å; V239-L241 HydrophobicContact CG1-CD2 3.94Å; V239-L241 HydrophobicContact CG1-CG 4.39Å; V239-L241 PolarHBondContact O-N 3.38Å; L241-L243 PolarHBondContact O-N 3.08Å; L241-L243 VanDerWaalsContact O-N 3.08Å; L241-L244 HydrophobicContact CD2-CD1 3.6Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 2.78Å; L241-L244 VanDerWaalsContact O-N 3.08Å; L241-L249 HydrophobicContact CB-CD2 4.43Å; L241-L249 HydrophobicContact CD2-CD2 4.41Å; L241-V253 HydrophobicContact CD2-CG1 4.28Å; L241-F268 HydrophobicContact CD1-CB 3.9Å; L241-A272 HydrophobicContact CB-CB 3.78Å
242	P	79.3	Confident	80	Confident	2 Å²	2	49 Å²	49	1%	0.013	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.6	-14.4	177.2	-24.1	34.9	0	0	0	115.5	R240 A272 Y275 H276 R290 T291	R240-P242 VanDerWaalsContact C-N 3.28Å; R240-P242 VanDerWaalsContact O-N 3.14Å; P242-A272 HydrophobicContact CB-CB 4.48Å; P242-A272 HydrophobicContact CG-CB 4.18Å; P242-Y275 HydrophobicContact CB-CD1 3.65Å; P242-Y275 HydrophobicContact CB-CE1 4.17Å; P242-Y275 HydrophobicContact CB-CG 3.85Å; P242-Y275 VanDerWaalsContact O-CD1 3.28Å; P242-Y275 WeakPolarHBondContact O-CD1 3.49Å; P242-Y275 WeakPolarHBondContact O-CE1 3.25Å; P242-H276 PolarHBondContact O-NE2 3.49Å; P242-R290 WeakPolarHBondContact CD-O 3.48Å; P242-R290 HydrophobicContact CG-CB 4.35Å; P242-T291 HydrophobicContact CB-CG2 4.06Å; P242-T291 HydrophobicContact CG-CG2 4.11Å
243	L	74.4	Confident	79.9	Confident	54 Å²	54	48.9 Å²	48.9	28%	0.283	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-97.8	-2.3	178.9	-56.6	179.3	0	0	0	113	E210 R240 L241 P293	E210-L243 HydrophobicContact CG-CB 4.28Å; R240-L243 HydrophobicContact CB-CB 4.46Å; R240-L243 HydrophobicContact CB-CD1 3.79Å; R240-L243 HydrophobicContact CB-CG 4.15Å; R240-L243 HydrophobicContact CG-CD1 4.47Å; R240-L243 WeakPolarHBondContact O-CB 3.47Å; R240-L243 PolarHBondContact O-N 3.26Å; L241-L243 PolarHBondContact O-N 3.08Å; L241-L243 VanDerWaalsContact O-N 3.08Å; L243-P293 HydrophobicContact CD1-CB 4.27Å; L243-P293 HydrophobicContact CD1-CG 4.35Å; L243-P293 HydrophobicContact CD2-CG 4.31Å
244	L	78.3	Confident	79.8	Confident	3 Å²	3	52 Å²	52	2%	0.016	25%	0.25	C	C	.	.	S	Bend	trans	-75.9	151	175	-70.2	172.4	0	0	0	111.3	E210 E211 L241 Y248 L249 V253 H276	E210-L244 VanDerWaalsContact C-CD2 3.49Å; E210-L244 HydrophobicContact CB-CD2 3.64Å; E210-L244 HydrophobicContact CB-CG 4.16Å; E211-L244 HydrophobicContact CB-CD2 4.25Å; E211-L244 HydrophobicContact CG-CD2 3.61Å; E211-L244 VanDerWaalsContact N-CD2 3.28Å; L241-L244 HydrophobicContact CD2-CD1 3.6Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 2.78Å; L241-L244 VanDerWaalsContact O-N 3.08Å; L244-Y248 HydrophobicContact CD1-CD1 4.34Å; L244-Y248 HydrophobicContact CD2-CD1 4.24Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CB-CD2 3.97Å; L244-L249 HydrophobicContact CB-CG 3.89Å; L244-L249 HydrophobicContact CD1-CD2 3.76Å; L244-L249 HydrophobicContact CG-CD2 4.49Å; L244-V253 HydrophobicContact CD1-CG2 4.17Å; L244-H276 PolarHBondContact O-CE1 2.91Å; L244-H276 PolarHBondContact O-NE2 3.38Å; L244-H276 VanDerWaalsContact O-NE2 3.08Å
245	P	74.2	Confident	79.5	Confident	62 Å²	62	51.9 Å²	51.9	40%	0.403	25%	0.251	S	S	.	.			trans	-60.3	143.7	170.3	-22.8	34.5	0	0	0	111.9	E211 D247 Y248 L249	E211-P245 WeakPolarHBondContact OE1-CG 3.49Å; P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.01Å; P245-Y248 PolarHBondContact O-N 2.68Å; P245-Y248 VanDerWaalsContact O-N 3.16Å; P245-L249 PolarHBondContact O-N 2.93Å; P245-L249 VanDerWaalsContact O-N 3.1Å
246	R	75.3	Confident	79.3	Confident	180 Å²	180	54.2 Å²	54.2	68%	0.679	26%	0.262	S	S	*	.	H	α-helix	trans	-56.7	-41.4	-180	179.8	-178.3	170.8	-174	-3.1	112.3	Y248 L249 V250	R246-Y248 VanDerWaalsContact C-N 3.31Å; R246-Y248 PolarHBondContact O-N 2.7Å; R246-L249 PolarHBondContact O-N 2.9Å; R246-V250 PolarHBondContact O-N 2.86Å
247	D	75.6	Confident	78.8	Confident	113 Å²	113	58.4 Å²	58.4	60%	0.604	29%	0.288	S	S	*	.	H	α-helix	trans	-64.9	-39.4	-177.9	-61.5	-23	0	0	0	110.9	P245 V250 Q251	P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.01Å; D247-V250 PolarHBondContact O-N 2.82Å; D247-Q251 VanDerWaalsContact O-CB 3.28Å; D247-Q251 WeakPolarHBondContact O-CB 3.4Å; D247-Q251 VanDerWaalsContact O-CG 3.31Å; D247-Q251 WeakPolarHBondContact O-CG 3.18Å; D247-Q251 PolarHBondContact O-N 2.71Å
248	Y	78.2	Confident	78.1	Confident	38 Å²	38	54.3 Å²	54.3	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-39.3	177.7	-166.4	-95	0	0	0	112.6	E211 F214 L244 P245 R246 V250 T252 V253	E211-Y248 HydrophobicContact CB-CE1 4.12Å; E211-Y248 HydrophobicContact CB-CE2 4.37Å; E211-Y248 HydrophobicContact CG-CD1 3.95Å; E211-Y248 HydrophobicContact CG-CD2 4.17Å; E211-Y248 HydrophobicContact CG-CE1 3.94Å; E211-Y248 HydrophobicContact CG-CE2 4.17Å; E211-Y248 HydrophobicContact CG-CG 4.06Å; F214-Y248 HydrophobicContact CD1-CE1 4.08Å; L244-Y248 HydrophobicContact CD1-CD1 4.34Å; L244-Y248 HydrophobicContact CD2-CD1 4.24Å; P245-Y248 PolarHBondContact O-N 2.68Å; P245-Y248 VanDerWaalsContact O-N 3.16Å; R246-Y248 VanDerWaalsContact C-N 3.31Å; R246-Y248 PolarHBondContact O-N 2.7Å; Y248-V250 VanDerWaalsContact C-N 3.33Å; Y248-V250 PolarHBondContact O-N 2.92Å; Y248-T252 HydrophobicContact CE1-CG2 4.32Å; Y248-T252 HydrophobicContact CE2-CG2 4.11Å; Y248-T252 WeakPolarHBondContact O-CB 3.26Å; Y248-T252 PolarHBondContact O-N 2.94Å; Y248-V253 HydrophobicContact CD1-CG2 3.9Å; Y248-V253 HydrophobicContact CE1-CG2 3.94Å; Y248-V253 PolarHBondContact O-N 3.43Å
249	L	79.5	Confident	77.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.256	C	S	.	.	I	π-helix	trans	-60.3	-41.6	176.1	-74.8	171.5	0	0	0	112.3	L241 L244 P245 R246 V253 E254 L269 A272 H276	L241-L249 HydrophobicContact CB-CD2 4.43Å; L241-L249 HydrophobicContact CD2-CD2 4.41Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CB-CD2 3.97Å; L244-L249 HydrophobicContact CB-CG 3.89Å; L244-L249 HydrophobicContact CD1-CD2 3.76Å; L244-L249 HydrophobicContact CG-CD2 4.49Å; P245-L249 PolarHBondContact O-N 2.93Å; P245-L249 VanDerWaalsContact O-N 3.1Å; R246-L249 PolarHBondContact O-N 2.9Å; L249-V253 HydrophobicContact CD2-CB 4.31Å; L249-V253 HydrophobicContact CD2-CG1 4.47Å; L249-V253 HydrophobicContact CD2-CG2 4.16Å; L249-V253 WeakPolarHBondContact O-CB 3.44Å; L249-E254 WeakPolarHBondContact O-CB 3.48Å; L249-E254 PolarHBondContact O-N 2.93Å; L249-L269 HydrophobicContact CD2-CD1 4.1Å; L249-A272 HydrophobicContact CD1-CB 4.18Å; L249-H276 WeakPolarHBondContact CD1-NE2 3.39Å
250	V	79.1	Confident	77	Confident	58 Å²	58	56.3 Å²	56.3	35%	0.352	28%	0.277	S	S	.	.	I	π-helix	trans	-82.3	-41.7	-177	178.1	0	0	0	0	111.8	R246 D247 Y248	R246-V250 PolarHBondContact O-N 2.86Å; D247-V250 PolarHBondContact O-N 2.82Å; Y248-V250 VanDerWaalsContact C-N 3.33Å; Y248-V250 PolarHBondContact O-N 2.92Å
251	Q	79.6	Confident	76.6	Confident	128 Å²	128	62.4 Å²	62.4	60%	0.598	31%	0.31	S	S	*	.	I	π-helix	trans	-82.8	-27.6	-174.4	-66.5	179.1	0.3	0	0	113.5	D247 E255	D247-Q251 VanDerWaalsContact O-CB 3.28Å; D247-Q251 WeakPolarHBondContact O-CB 3.4Å; D247-Q251 VanDerWaalsContact O-CG 3.31Å; D247-Q251 WeakPolarHBondContact O-CG 3.18Å; D247-Q251 PolarHBondContact O-N 2.71Å; Q251-E255 WeakPolarHBondContact O-CG 3.39Å
252	T	78.3	Confident	76.4	Confident	52 Å²	52	64.1 Å²	64.1	32%	0.319	32%	0.319	S	S	.	.	I	π-helix	trans	-118.5	-55.3	-172.4	-50	0	0	0	0	111.3	Y248 E255 E256	Y248-T252 HydrophobicContact CE1-CG2 4.32Å; Y248-T252 HydrophobicContact CE2-CG2 4.11Å; Y248-T252 WeakPolarHBondContact O-CB 3.26Å; Y248-T252 PolarHBondContact O-N 2.94Å; T252-E255 PolarHBondContact O-N 3.09Å; T252-E256 PolarHBondContact O-N 2.83Å
253	V	79.8	Confident	76.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.349	C	S	.	.	I	π-helix	trans	-70.1	-41.7	-174.3	-174.1	0	0	0	0	111.7	F214 L241 L244 Y248 L249 I259 L269	F214-V253 HydrophobicContact CD1-CG2 4.32Å; F214-V253 HydrophobicContact CE1-CG2 4Å; F214-V253 HydrophobicContact CE2-CG1 4.01Å; F214-V253 HydrophobicContact CE2-CG2 4.28Å; F214-V253 HydrophobicContact CZ-CB 4.3Å; F214-V253 HydrophobicContact CZ-CG1 4.04Å; F214-V253 HydrophobicContact CZ-CG2 3.98Å; L241-V253 HydrophobicContact CD2-CG1 4.28Å; L244-V253 HydrophobicContact CD1-CG2 4.17Å; Y248-V253 HydrophobicContact CD1-CG2 3.9Å; Y248-V253 HydrophobicContact CE1-CG2 3.94Å; Y248-V253 PolarHBondContact O-N 3.43Å; L249-V253 HydrophobicContact CD2-CB 4.31Å; L249-V253 HydrophobicContact CD2-CG1 4.47Å; L249-V253 HydrophobicContact CD2-CG2 4.16Å; L249-V253 WeakPolarHBondContact O-CB 3.44Å; V253-I259 HydrophobicContact CB-CD1 4.47Å; V253-I259 HydrophobicContact CG1-CD1 3.42Å; V253-I259 VanDerWaalsContact CG1-CD1 3.42Å; V253-I259 WeakPolarHBondContact O-CD1 3.24Å; V253-L269 HydrophobicContact CB-CD1 4.27Å; V253-L269 HydrophobicContact CG1-CD1 3.75Å
254	E	76.5	Confident	76.8	Confident	89 Å²	89	70 Å²	70	42%	0.416	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-34.3	176.7	-176.7	174.9	-166.9	0	0	112.3	L249 E256 K260 L269	L249-E254 WeakPolarHBondContact O-CB 3.48Å; L249-E254 PolarHBondContact O-N 2.93Å; E254-E256 VanDerWaalsContact C-N 3.34Å; E254-K260 WeakPolarHBondContact O-CE 3.26Å; E254-L269 HydrophobicContact CB-CD2 4.23Å; E254-L269 HydrophobicContact CG-CD2 4.37Å
255	E	77.9	Confident	76.8	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.593	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.4	-178.6	-66.9	-161	166.5	0	0	113.3	Q251 T252 T257 K260	Q251-E255 WeakPolarHBondContact O-CG 3.39Å; T252-E255 PolarHBondContact O-N 3.09Å; E255-T257 PolarHBondContact O-N 3.09Å; E255-K260 WeakPolarHBondContact O-CE 3.08Å; E255-K260 PolarHBondContact O-NZ 2.95Å; E255-K260 VanDerWaalsContact O-NZ 3.14Å
256	E	79.9	Confident	77.2	Confident	50 Å²	50	70.8 Å²	70.8	23%	0.234	35%	0.35	C	S	.	.			trans	-58.4	122.2	-176.3	-170.2	52.1	-109	0	0	112.5	I218 T252 E254 L258 I259 K260	I218-E256 HydrophobicContact CD1-CG 4.13Å; T252-E256 PolarHBondContact O-N 2.83Å; E254-E256 VanDerWaalsContact C-N 3.34Å; E256-L258 HydrophobicContact CG-CB 4.3Å; E256-L258 PolarHBondContact O-N 3.13Å; E256-I259 HydrophobicContact CB-CD1 4.24Å; E256-I259 HydrophobicContact CB-CG1 4.38Å; E256-I259 PolarHBondContact O-N 2.89Å; E256-I259 VanDerWaalsContact O-N 3.08Å; E256-K260 PolarHBondContact O-N 2.89Å
257	T	71.3	Confident	77.5	Confident	89 Å²	89	67.1 Å²	67.1	55%	0.546	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-31.3	-172.8	58	0	0	0	0	112.9	E255 I259 N261	E255-T257 PolarHBondContact O-N 3.09Å; T257-I259 VanDerWaalsContact C-N 3.31Å; T257-I259 PolarHBondContact O-N 3.02Å; T257-N261 PolarHBondContact O-N 2.75Å; T257-N261 PolarHBondContact O-ND2 3.35Å
258	L	70.6	Confident	77.8	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-36.5	178.9	-59.5	172.1	0	0	0	111.2	I218 I221 L229 M232 E256	I218-L258 HydrophobicContact CD1-CD1 4.11Å; I221-L258 HydrophobicContact CG2-CD1 4.15Å; L229-L258 HydrophobicContact CD2-CD2 3.57Å; M232-L258 HydrophobicContact CE-CB 3.55Å; M232-L258 HydrophobicContact SD-CB 3.84Å; E256-L258 HydrophobicContact CG-CB 4.3Å; E256-L258 PolarHBondContact O-N 3.13Å
259	I	73.3	Confident	77.9	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-79.8	-36.2	-177.1	-64.5	178.4	0	0	0	110.9	F214 M232 M236 V253 E256 T257 N261 N262 C265	F214-I259 HydrophobicContact CE2-CD1 3.61Å; F214-I259 HydrophobicContact CZ-CD1 3.64Å; M232-I259 HydrophobicContact CE-CB 4.34Å; M232-I259 HydrophobicContact CE-CD1 4.45Å; M232-I259 HydrophobicContact CE-CG1 3.4Å; M236-I259 HydrophobicContact CE-CD1 4.2Å; V253-I259 HydrophobicContact CB-CD1 4.47Å; V253-I259 HydrophobicContact CG1-CD1 3.42Å; V253-I259 VanDerWaalsContact CG1-CD1 3.42Å; V253-I259 WeakPolarHBondContact O-CD1 3.24Å; E256-I259 HydrophobicContact CB-CD1 4.24Å; E256-I259 HydrophobicContact CB-CG1 4.38Å; E256-I259 PolarHBondContact O-N 2.89Å; E256-I259 VanDerWaalsContact O-N 3.08Å; T257-I259 VanDerWaalsContact C-N 3.31Å; T257-I259 PolarHBondContact O-N 3.02Å; I259-N261 PolarHBondContact O-N 2.82Å; I259-N262 PolarHBondContact O-N 2.98Å; I259-C265 HydrophobicContact CG2-CB 4.12Å
260	K	71.9	Confident	78	Confident	103 Å²	103	65.4 Å²	65.4	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-26.5	175.8	-71.9	-179.5	-176.9	165.4	0	113.4	E254 E255 E256 K266	E254-K260 WeakPolarHBondContact O-CE 3.26Å; E255-K260 WeakPolarHBondContact O-CE 3.08Å; E255-K260 PolarHBondContact O-NZ 2.95Å; E255-K260 VanDerWaalsContact O-NZ 3.14Å; E256-K260 PolarHBondContact O-N 2.89Å; K260-K266 WeakPolarHBondContact O-CE 3.33Å; K260-K266 PolarHBondContact O-NZ 3.17Å
261	N	74.6	Confident	78.1	Confident	138 Å²	138	65 Å²	65	74%	0.738	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.9	-175	-67.3	-17.7	0	0	0	114	T257 I259	T257-N261 PolarHBondContact O-N 2.75Å; T257-N261 PolarHBondContact O-ND2 3.35Å; I259-N261 PolarHBondContact O-N 2.82Å
262	N	77.8	Confident	78	Confident	37 Å²	37	58.9 Å²	58.9	20%	0.198	30%	0.302	C	S	.	.			trans	-114.7	119.5	-178	-166.4	-37.1	0	0	0	112.1	I259 T264 C265 K266	I259-N262 PolarHBondContact O-N 2.98Å; N262-T264 VanDerWaalsContact C-N 3.34Å; N262-T264 PolarHBondContact O-N 2.81Å; N262-T264 PolarHBondContact OD1-N 3.13Å; N262-T264 PolarHBondContact OD1-OG1 3.26Å; N262-C265 HydrophobicContact CB-CB 4.16Å; N262-C265 PolarHBondContact O-N 3.07Å; N262-K266 PolarHBondContact O-N 3.14Å
263	N	80.3	Confident	78.1	Confident	117 Å²	117	60.3 Å²	60.3	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-64.1	-35.5	-178.1	-68.3	-20.2	0	0	0	113	K266 D267	N263-K266 WeakPolarHBondContact O-CB 3.49Å; N263-K266 PolarHBondContact O-N 2.66Å; N263-D267 PolarHBondContact O-N 3.02Å; N263-D267 VanDerWaalsContact O-N 3.12Å
264	T	80.4	Confident	78.1	Confident	63 Å²	63	66.6 Å²	66.6	39%	0.387	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-39.1	179.9	-41.7	0	0	0	0	111.4	A233 N262 K266 D267 F268	A233-T264 HydrophobicContact CB-CG2 4.31Å; N262-T264 VanDerWaalsContact C-N 3.34Å; N262-T264 PolarHBondContact O-N 2.81Å; N262-T264 PolarHBondContact OD1-N 3.13Å; N262-T264 PolarHBondContact OD1-OG1 3.26Å; T264-K266 VanDerWaalsContact C-N 3.29Å; T264-K266 PolarHBondContact O-N 2.78Å; T264-D267 PolarHBondContact O-N 3.02Å; T264-F268 HydrophobicContact CG2-CE2 4.03Å; T264-F268 HydrophobicContact CG2-CZ 4.03Å; T264-F268 WeakPolarHBondContact O-CD2 3.46Å; T264-F268 PolarHBondContact O-N 3.14Å
265	C	79.7	Confident	77.9	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-33.6	176.3	-60.5	0	0	0	0	111.7	I259 N262 F268 L269	I259-C265 HydrophobicContact CG2-CB 4.12Å; N262-C265 HydrophobicContact CB-CB 4.16Å; N262-C265 PolarHBondContact O-N 3.07Å; C265-F268 PolarHBondContact O-N 2.83Å; C265-L269 PolarHBondContact O-N 2.63Å
266	K	80.9	Confident	77.7	Confident	81 Å²	81	60.4 Å²	60.4	35%	0.352	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-40.5	172.4	-68.9	176.8	-178.1	166.3	0	112	K260 N262 N263 T264 F268 L269 I270	K260-K266 WeakPolarHBondContact O-CE 3.33Å; K260-K266 PolarHBondContact O-NZ 3.17Å; N262-K266 PolarHBondContact O-N 3.14Å; N263-K266 WeakPolarHBondContact O-CB 3.49Å; N263-K266 PolarHBondContact O-N 2.66Å; T264-K266 VanDerWaalsContact C-N 3.29Å; T264-K266 PolarHBondContact O-N 2.78Å; K266-F268 VanDerWaalsContact C-N 3.29Å; K266-F268 PolarHBondContact O-N 2.91Å; K266-L269 WeakPolarHBondContact O-CB 3.33Å; K266-L269 PolarHBondContact O-N 3.35Å; K266-I270 VanDerWaalsContact O-CG1 3.24Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.95Å
267	D	82.6	Confident	77.4	Confident	103 Å²	103	64.8 Å²	64.8	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-61.6	-40	176.3	-69.7	-24.6	0	0	0	111.4	N263 T264 I270 E271	N263-D267 PolarHBondContact O-N 3.02Å; N263-D267 VanDerWaalsContact O-N 3.12Å; T264-D267 PolarHBondContact O-N 3.02Å; D267-I270 PolarHBondContact O-N 2.92Å; D267-E271 PolarHBondContact O-N 2.81Å
268	F	81.8	Confident	77.4	Confident	24 Å²	24	63.1 Å²	63.1	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-38.5	174	-61.1	-33.9	0	0	0	113.3	M236 E237 L241 T264 C265 K266 E271 A272 R290	M236-F268 HydrophobicContact CB-CD2 4.15Å; M236-F268 HydrophobicContact CB-CE2 4.39Å; E237-F268 HydrophobicContact CB-CE2 4.16Å; E237-F268 HydrophobicContact CB-CZ 4.01Å; E237-F268 HydrophobicContact CG-CZ 4.22Å; L241-F268 HydrophobicContact CD1-CB 3.9Å; T264-F268 HydrophobicContact CG2-CE2 4.03Å; T264-F268 HydrophobicContact CG2-CZ 4.03Å; T264-F268 WeakPolarHBondContact O-CD2 3.46Å; T264-F268 PolarHBondContact O-N 3.14Å; C265-F268 PolarHBondContact O-N 2.83Å; K266-F268 VanDerWaalsContact C-N 3.29Å; K266-F268 PolarHBondContact O-N 2.91Å; F268-E271 PolarHBondContact O-N 3.35Å; F268-A272 PolarHBondContact O-N 3.17Å; F268-R290 VanDerWaalsContact CD1-CZ 3.42Å
269	L	80.9	Confident	76.9	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-44.4	173.8	-170.9	77.5	0	0	0	111.1	L249 V253 E254 C265 K266 E271 A272 M273	L249-L269 HydrophobicContact CD2-CD1 4.1Å; V253-L269 HydrophobicContact CB-CD1 4.27Å; V253-L269 HydrophobicContact CG1-CD1 3.75Å; E254-L269 HydrophobicContact CB-CD2 4.23Å; E254-L269 HydrophobicContact CG-CD2 4.37Å; C265-L269 PolarHBondContact O-N 2.63Å; K266-L269 WeakPolarHBondContact O-CB 3.33Å; K266-L269 PolarHBondContact O-N 3.35Å; L269-E271 VanDerWaalsContact C-N 3.31Å; L269-E271 PolarHBondContact O-N 2.94Å; L269-A272 PolarHBondContact O-N 2.8Å; L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.21Å
270	I	80.1	Confident	76	Confident	79 Å²	79	71.9 Å²	71.9	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-40.4	177.8	-68.5	163.8	0	0	0	110.7	K266 D267 M273 K274	K266-I270 VanDerWaalsContact O-CG1 3.24Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.95Å; D267-I270 PolarHBondContact O-N 2.92Å; I270-M273 PolarHBondContact O-N 3.12Å; I270-K274 HydrophobicContact CG2-CD 4.17Å; I270-K274 HydrophobicContact CG2-CG 4.48Å; I270-K274 WeakPolarHBondContact O-CB 3.43Å; I270-K274 VanDerWaalsContact O-CG 3.3Å; I270-K274 WeakPolarHBondContact O-CG 3.27Å; I270-K274 PolarHBondContact O-N 3.42Å
271	E	81.6	Confident	75	Confident	49 Å²	49	73.3 Å²	73.3	23%	0.229	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-46.1	173.7	-178.5	-178.6	166.4	0	0	112.2	D267 F268 L269 M273 K274 Y275 N288 R290	D267-E271 PolarHBondContact O-N 2.81Å; F268-E271 PolarHBondContact O-N 3.35Å; L269-E271 VanDerWaalsContact C-N 3.31Å; L269-E271 PolarHBondContact O-N 2.94Å; E271-M273 PolarHBondContact O-N 3.38Å; E271-K274 PolarHBondContact O-N 3.15Å; E271-Y275 WeakPolarHBondContact O-CB 3.49Å; E271-Y275 PolarHBondContact O-N 3.38Å; E271-N288 PolarHBondContact OE1-ND2 3.13Å; E271-R290 VanDerWaalsContact CD-NH1 3.33Å; E271-R290 IonicContact OE1-CZ 3.06Å; E271-R290 IonicContact OE1-NH1 2.73Å; E271-R290 IonicContact OE1-NH2 2.62Å; E271-R290 IonicContact OE2-CZ 2.79Å; E271-R290 IonicContact OE2-NH1 3.61Å; E271-R290 PolarHBondContact OE2-NH1 2.98Å; E271-R290 IonicContact OE2-NH2 2.75Å; E271-R290 PolarHBondContact OE2-NH2 3.41Å
272	A	78.9	Confident	74.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-45.1	176.8	0	0	0	0	0	111.5	L241 P242 L249 F268 L269 K274 Y275 H276	L241-A272 HydrophobicContact CB-CB 3.78Å; P242-A272 HydrophobicContact CB-CB 4.48Å; P242-A272 HydrophobicContact CG-CB 4.18Å; L249-A272 HydrophobicContact CD1-CB 4.18Å; F268-A272 PolarHBondContact O-N 3.17Å; L269-A272 PolarHBondContact O-N 2.8Å; A272-K274 PolarHBondContact O-N 3.22Å; A272-Y275 WeakPolarHBondContact O-CB 3.31Å; A272-Y275 PolarHBondContact O-N 2.74Å; A272-H276 PolarHBondContact O-CD2 3.48Å; A272-H276 PolarHBondContact O-N 3.04Å; A272-H276 VanDerWaalsContact O-N 3.1Å
273	M	79.4	Confident	73.3	Confident	82 Å²	82	72.8 Å²	72.8	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175.8	-67.6	-175.7	85.2	0	0	112.2	L269 I270 E271 Y275 H276 L277	L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.21Å; I270-M273 PolarHBondContact O-N 3.12Å; E271-M273 PolarHBondContact O-N 3.38Å; M273-Y275 VanDerWaalsContact C-N 3.31Å; M273-Y275 PolarHBondContact O-N 2.98Å; M273-H276 PolarHBondContact O-N 3.13Å; M273-L277 WeakPolarHBondContact O-CG 3.37Å; M273-L277 PolarHBondContact O-N 2.86Å; M273-L277 VanDerWaalsContact O-N 3.13Å
274	K	79.1	Confident	71.9	Confident	132 Å²	132	74.1 Å²	74.1	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-59.8	-41.3	173.6	-77.6	175	-178.9	174.6	0	111.7	I270 E271 A272 H276 L277 L278	I270-K274 HydrophobicContact CG2-CD 4.17Å; I270-K274 HydrophobicContact CG2-CG 4.48Å; I270-K274 WeakPolarHBondContact O-CB 3.43Å; I270-K274 VanDerWaalsContact O-CG 3.3Å; I270-K274 WeakPolarHBondContact O-CG 3.27Å; I270-K274 PolarHBondContact O-N 3.42Å; E271-K274 PolarHBondContact O-N 3.15Å; A272-K274 PolarHBondContact O-N 3.22Å; K274-H276 VanDerWaalsContact C-N 3.33Å; K274-H276 PolarHBondContact O-N 3.4Å; K274-L277 PolarHBondContact O-N 3.27Å; K274-L277 VanDerWaalsContact O-N 3.09Å; K274-L278 PolarHBondContact O-N 3.08Å
275	Y	74	Confident	70.7	Confident	35 Å²	35	77.7 Å²	77.7	14%	0.137	39%	0.389	C	S	.	.	H	α-helix	trans	-59.7	-41.7	176.3	-176	-100.3	0	0	0	112	P242 E271 A272 M273 L277 L278 R283 I286 T291	P242-Y275 HydrophobicContact CB-CD1 3.65Å; P242-Y275 HydrophobicContact CB-CE1 4.17Å; P242-Y275 HydrophobicContact CB-CG 3.85Å; P242-Y275 VanDerWaalsContact O-CD1 3.28Å; P242-Y275 WeakPolarHBondContact O-CD1 3.49Å; P242-Y275 WeakPolarHBondContact O-CE1 3.25Å; E271-Y275 WeakPolarHBondContact O-CB 3.49Å; E271-Y275 PolarHBondContact O-N 3.38Å; A272-Y275 WeakPolarHBondContact O-CB 3.31Å; A272-Y275 PolarHBondContact O-N 2.74Å; M273-Y275 VanDerWaalsContact C-N 3.31Å; M273-Y275 PolarHBondContact O-N 2.98Å; Y275-L277 VanDerWaalsContact C-N 3.3Å; Y275-L277 PolarHBondContact O-N 3.34Å; Y275-L278 PolarHBondContact O-N 3.39Å; Y275-R283 HydrophobicContact CD2-CG 4.34Å; Y275-R283 HydrophobicContact CE1-CG 4.46Å; Y275-R283 HydrophobicContact CE2-CB 3.8Å; Y275-R283 HydrophobicContact CE2-CG 3.97Å; Y275-R283 PolarHBondContact O-NE 3.46Å; Y275-I286 HydrophobicContact CD2-CD1 4.43Å; Y275-T291 HydrophobicContact CD2-CG2 3.72Å; Y275-T291 HydrophobicContact CE2-CG2 3.67Å; Y275-T291 HydrophobicContact CG-CG2 4.41Å
276	H	72.5	Confident	69.8	Low	50 Å²	50	80.4 Å²	80.4	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-70.9	-18.8	174.6	-69.8	-70.3	0	0	0	114.8	P242 L244 L249 A272 M273 K274 R283	P242-H276 PolarHBondContact O-NE2 3.49Å; L244-H276 PolarHBondContact O-CE1 2.91Å; L244-H276 PolarHBondContact O-NE2 3.38Å; L244-H276 VanDerWaalsContact O-NE2 3.08Å; L249-H276 WeakPolarHBondContact CD1-NE2 3.39Å; A272-H276 PolarHBondContact O-CD2 3.48Å; A272-H276 PolarHBondContact O-N 3.04Å; A272-H276 VanDerWaalsContact O-N 3.1Å; M273-H276 PolarHBondContact O-N 3.13Å; K274-H276 VanDerWaalsContact C-N 3.33Å; K274-H276 PolarHBondContact O-N 3.4Å; H276-R283 PolarHBondContact O-NH2 2.78Å
277	L	74.4	Confident	68.6	Low	143 Å²	143	85.6 Å²	85.6	75%	0.749	43%	0.425	S	S	*	.	H	α-helix	trans	-82.5	-19	175.4	-69.6	168.5	0	0	0	112.9	M273 K274 Y275	M273-L277 WeakPolarHBondContact O-CG 3.37Å; M273-L277 PolarHBondContact O-N 2.86Å; M273-L277 VanDerWaalsContact O-N 3.13Å; K274-L277 PolarHBondContact O-N 3.27Å; K274-L277 VanDerWaalsContact O-N 3.09Å; Y275-L277 VanDerWaalsContact C-N 3.3Å; Y275-L277 PolarHBondContact O-N 3.34Å
278	L	70.3	Confident	67.9	Low	53 Å²	53	83.9 Å²	83.9	28%	0.277	42%	0.416	S	S	.	.	S	Bend	trans	-76.8	147.4	179.2	-69.4	169.7	0	0	0	112.1	K274 Y275 R283 I286	K274-L278 PolarHBondContact O-N 3.08Å; Y275-L278 PolarHBondContact O-N 3.39Å; L278-R283 HydrophobicContact CB-CG 4.12Å; L278-R283 PolarHBondContact O-NE 2.95Å; L278-R283 PolarHBondContact O-NH2 2.76Å; L278-I286 HydrophobicContact CD1-CD1 3.4Å
279	P	61.5	Low	67.1	Low	73 Å²	73	88.2 Å²	88.2	47%	0.474	45%	0.447	S	S	.	.			trans	-61.5	149.9	169.4	-19.2	31.4	0	0	0	112.2	D281 Q282 R283	P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.94Å; P279-Q282 PolarHBondContact O-N 3.31Å; P279-R283 PolarHBondContact O-N 3.48Å
280	L	54.6	Low	66.7	Low	132 Å²	132	89.2 Å²	89.2	69%	0.691	45%	0.449	S	S	*	.	H	α-helix	trans	-52.3	-40.2	-177	-85.8	123.9	0	0	0	113.4	Q282 R283 L284	L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 3.05Å; L280-R283 WeakPolarHBondContact O-CB 3.36Å; L280-R283 PolarHBondContact O-N 3.46Å; L280-L284 PolarHBondContact O-N 3.41Å
281	D	49.3	Very low	66.1	Low	132 Å²	132	85.9 Å²	85.9	71%	0.706	43%	0.433	S	S	*	.	H	α-helix	trans	-64.2	-32.2	-179	-53.2	-29.4	0	0	0	113.1	P279	P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.94Å
282	Q	58.7	Low	65.3	Low	104 Å²	104	88.4 Å²	88.4	49%	0.486	44%	0.443	S	S	.	.	H	α-helix	trans	-83.5	-25.7	178.7	-68.2	-178.2	6	0	0	112.4	P279 L280 L284 L285	P279-Q282 PolarHBondContact O-N 3.31Å; L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 3.05Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 2.86Å; Q282-L285 PolarHBondContact O-N 2.88Å
283	R	58.5	Low	64.4	Low	60 Å²	60	92.2 Å²	92.2	23%	0.226	47%	0.468	C	S	.	.	H	α-helix	trans	-64.3	-38.3	176.4	-67.4	-179.1	-166.3	173.1	4.3	112.1	Y275 H276 L278 P279 L280 L285 I286	Y275-R283 HydrophobicContact CD2-CG 4.34Å; Y275-R283 HydrophobicContact CE1-CG 4.46Å; Y275-R283 HydrophobicContact CE2-CB 3.8Å; Y275-R283 HydrophobicContact CE2-CG 3.97Å; Y275-R283 PolarHBondContact O-NE 3.46Å; H276-R283 PolarHBondContact O-NH2 2.78Å; L278-R283 HydrophobicContact CB-CG 4.12Å; L278-R283 PolarHBondContact O-NE 2.95Å; L278-R283 PolarHBondContact O-NH2 2.76Å; P279-R283 PolarHBondContact O-N 3.48Å; L280-R283 WeakPolarHBondContact O-CB 3.36Å; L280-R283 PolarHBondContact O-N 3.46Å; R283-L285 PolarHBondContact O-N 3.06Å; R283-I286 PolarHBondContact O-N 3.11Å
284	L	51.2	Low	63.9	Low	145 Å²	145	89.5 Å²	89.5	76%	0.759	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.4	178.6	-65.2	171.3	0	0	0	113.6	L280 Q282	L280-L284 PolarHBondContact O-N 3.41Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 2.86Å
285	L	54.1	Low	62.8	Low	138 Å²	138	87.4 Å²	87.4	72%	0.723	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-18.1	179	-65.4	168.8	0	0	0	112.9	Q282 R283 K287	Q282-L285 PolarHBondContact O-N 2.88Å; R283-L285 PolarHBondContact O-N 3.06Å; L285-K287 PolarHBondContact O-N 2.8Å
286	I	61.3	Low	61.9	Low	58 Å²	58	88 Å²	88	30%	0.297	46%	0.459	S	S	.	.			trans	-85.6	102.7	-180	-59.8	174.4	0	0	0	109.5	Y275 L278 R283 N288 T291	Y275-I286 HydrophobicContact CD2-CD1 4.43Å; L278-I286 HydrophobicContact CD1-CD1 3.4Å; R283-I286 PolarHBondContact O-N 3.11Å; I286-N288 HydrophobicContact CG2-CB 4.46Å; I286-N288 PolarHBondContact O-N 2.81Å; I286-T291 HydrophobicContact CG2-CG2 4.13Å; I286-T291 PolarHBondContact O-OG1 2.8Å
287	K	55.6	Low	60.8	Low	189 Å²	189	89.2 Å²	89.2	82%	0.822	47%	0.47	S	S	*	.			trans	-97.8	70.9	177.3	-62.4	-175.6	-179	-177.8	0	111.4	L285	L285-K287 PolarHBondContact O-N 2.8Å
288	N	68.9	Low	59.8	Low	68 Å²	68	84.9 Å²	84.9	36%	0.364	45%	0.452	S	S	.	.			trans	-98.8	149	168.2	-70.3	-4	0	0	0	109.4	E271 I286 R290 T291 K292	E271-N288 PolarHBondContact OE1-ND2 3.13Å; I286-N288 HydrophobicContact CG2-CB 4.46Å; I286-N288 PolarHBondContact O-N 2.81Å; N288-R290 PolarHBondContact O-N 2.81Å; N288-R290 VanDerWaalsContact O-N 3.11Å; N288-T291 HydrophobicContact CB-CG2 4.2Å; N288-T291 PolarHBondContact N-OG1 2.81Å; N288-T291 PolarHBondContact O-N 2.98Å; N288-T291 PolarHBondContact O-OG1 3.16Å; N288-K292 PolarHBondContact O-N 3.22Å
289	P	63.6	Low	59.3	Low	114 Å²	114	85.3 Å²	85.3	74%	0.74	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.6	174.7	-27	34.7	0	0	0	113.6
290	R	72.9	Confident	59.8	Low	37 Å²	37	83.3 Å²	83.3	14%	0.14	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.2	177.4	-73	-175	-80	129.4	5.1	115	E237 R240 P242 F268 E271 N288	E237-R290 VanDerWaalsContact O-CD 3.29Å; E237-R290 WeakPolarHBondContact O-CD 3.45Å; E237-R290 WeakPolarHBondContact O-CG 3.41Å; R240-R290 WeakPolarHBondContact CB-O 3.4Å; P242-R290 WeakPolarHBondContact CD-O 3.48Å; P242-R290 HydrophobicContact CG-CB 4.35Å; F268-R290 VanDerWaalsContact CD1-CZ 3.42Å; E271-R290 VanDerWaalsContact CD-NH1 3.33Å; E271-R290 IonicContact OE1-CZ 3.06Å; E271-R290 IonicContact OE1-NH1 2.73Å; E271-R290 IonicContact OE1-NH2 2.62Å; E271-R290 IonicContact OE2-CZ 2.79Å; E271-R290 IonicContact OE2-NH1 3.61Å; E271-R290 PolarHBondContact OE2-NH1 2.98Å; E271-R290 IonicContact OE2-NH2 2.75Å; E271-R290 PolarHBondContact OE2-NH2 3.41Å; N288-R290 PolarHBondContact O-N 2.81Å; N288-R290 VanDerWaalsContact O-N 3.11Å
291	T	67.1	Low	61.3	Low	10 Å²	10	80.1 Å²	80.1	6%	0.061	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.3	176.7	58.3	0	0	0	0	112.8	P242 Y275 I286 N288	P242-T291 HydrophobicContact CB-CG2 4.06Å; P242-T291 HydrophobicContact CG-CG2 4.11Å; Y275-T291 HydrophobicContact CD2-CG2 3.72Å; Y275-T291 HydrophobicContact CE2-CG2 3.67Å; Y275-T291 HydrophobicContact CG-CG2 4.41Å; I286-T291 HydrophobicContact CG2-CG2 4.13Å; I286-T291 PolarHBondContact O-OG1 2.8Å; N288-T291 HydrophobicContact CB-CG2 4.2Å; N288-T291 PolarHBondContact N-OG1 2.81Å; N288-T291 PolarHBondContact O-N 2.98Å; N288-T291 PolarHBondContact O-OG1 3.16Å
292	K	65.8	Low	63.4	Low	101 Å²	101	74.1 Å²	74.1	44%	0.439	39%	0.39	S	S	.	.	S	Bend	trans	-86.2	121.2	174.3	-173.3	-171.6	172.7	-162.2	0	110	D203 R240 N288	D203-K292 IonicContact OD2-NZ 2.84Å; D203-K292 PolarHBondContact OD2-NZ 3.49Å; R240-K292 VanDerWaalsContact CD-O 3.26Å; R240-K292 WeakPolarHBondContact CD-O 3.39Å; R240-K292 PolarHBondContact NH1-O 3.47Å; N288-K292 PolarHBondContact O-N 3.22Å
293	P	59.5	Low	65.2	Low	80 Å²	80	69.2 Å²	69.2	52%	0.519	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-57.6	146.7	171.8	-24.2	34.8	0	0	0	112.9	R240 L243 T295	R240-P293 VanDerWaalsContact NH1-C 3.33Å; R240-P293 PolarHBondContact NH1-O 2.83Å; L243-P293 HydrophobicContact CD1-CB 4.27Å; L243-P293 HydrophobicContact CD1-CG 4.35Å; L243-P293 HydrophobicContact CD2-CG 4.31Å; P293-T295 PolarHBondContact O-N 2.91Å
294	R	68.1	Low	67.1	Low	25 Å²	25	66.4 Å²	66.4	9%	0.094	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-61.9	136.1	169.4	-69.2	-170.7	-162.2	-96.2	-2.7	108.7	I200 S202 E210 H238 P296	I200-R294 VanDerWaalsContact O-CZ 3.23Å; I200-R294 PolarHBondContact O-NH1 2.75Å; I200-R294 PolarHBondContact O-NH2 2.74Å; S202-R294 PolarHBondContact O-NH1 3Å; E210-R294 WeakPolarHBondContact OE1-CD 3.5Å; E210-R294 IonicContact OE1-CZ 2.8Å; E210-R294 IonicContact OE1-NE 3.25Å; E210-R294 PolarHBondContact OE1-NE 3.4Å; E210-R294 IonicContact OE1-NH2 2.91Å; E210-R294 IonicContact OE2-NE 3.27Å; E210-R294 IonicContact OE2-NH2 3.59Å; H238-R294 PolarHBondContact O-NH2 3.29Å; R294-P296 VanDerWaalsContact C-CD 3.45Å; R294-P296 VanDerWaalsContact O-CD 3.27Å; R294-P296 WeakPolarHBondContact O-CD 3.43Å
295	T	57.9	Low	69.3	Low	88 Å²	88	59.5 Å²	59.5	54%	0.54	32%	0.32	S	S	.	.			trans	-112	83.1	171.6	50.1	0	0	0	0	105.2	D203 P293	D203-T295 CarbonylContact O-C 3.54Å; D203-T295 VanDerWaalsContact O-C 3.22Å; D203-T295 PolarHBondContact O-N 2.97Å; D203-T295 VanDerWaalsContact O-O 3.07Å; P293-T295 PolarHBondContact O-N 2.91Å
296	P	55.1	Low	71.4	Confident	47 Å²	47	53.2 Å²	53.2	31%	0.305	29%	0.288	S	S	.	.			trans	-50.4	153.8	174.2	18.6	-29.2	0	0	0	109.8	K204 T206 R294 S298	K204-P296 WeakPolarHBondContact O-CA 3.32Å; T206-P296 HydrophobicContact CG2-CB 4.28Å; T206-P296 VanDerWaalsContact OG1-CB 3.27Å; T206-P296 WeakPolarHBondContact OG1-CB 3.33Å; R294-P296 VanDerWaalsContact C-CD 3.45Å; R294-P296 VanDerWaalsContact O-CD 3.27Å; R294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-S298 PolarHBondContact O-N 2.77Å
297	V	48.7	Very low	73.2	Confident	76 Å²	76	50.4 Å²	50.4	46%	0.461	27%	0.273	S	S	.	.			trans	-60.5	90.6	162.7	179.8	0	0	0	0	104.5	K204 L299	K204-V297 HydrophobicContact CB-CG2 4.1Å; K204-V297 HydrophobicContact CD-CG2 3.75Å; K204-V297 HydrophobicContact CG-CG2 3.9Å; V297-L299 PolarHBondContact O-N 3.18Å; V297-L299 VanDerWaalsContact O-N 3.14Å
298	S	53.3	Low	75.2	Confident	53 Å²	53	41.4 Å²	41.4	37%	0.371	23%	0.234	S	C	.	.			trans	-59	127.5	-175.1	57.3	0	0	0	0	105.3	P296 P300	P296-S298 PolarHBondContact O-N 2.77Å; S298-P300 VanDerWaalsContact O-N 3.16Å
299	L	59.4	Low	76.5	Confident	61 Å²	61	40.4 Å²	40.4	32%	0.319	23%	0.227	S	C	.	.			trans	-37.7	128.4	165.7	-75.3	173	0	0	0	107.9	V297 K301 H584 L587	V297-L299 PolarHBondContact O-N 3.18Å; V297-L299 VanDerWaalsContact O-N 3.14Å; L299-K301 PolarHBondContact O-N 2.72Å; L299-H584 HydrophobicContact CB-CB 3.85Å; L299-H584 HydrophobicContact CD1-CB 4.16Å; L299-H584 PolarHBondContact O-ND1 3.42Å; L299-L587 HydrophobicContact CD2-CD1 3.78Å; L299-L587 HydrophobicContact CD2-CD2 3.96Å; L299-L587 HydrophobicContact CD2-CG 3.56Å
300	P	73	Confident	78	Confident	31 Å²	31	36.2 Å²	36.2	20%	0.201	20%	0.203	C	C	.	.			trans	-42.6	123.2	-175.4	-29.5	33.1	0	0	0	108.5	S298 E323 K585	S298-P300 VanDerWaalsContact O-N 3.16Å; P300-E323 HydrophobicContact CB-CG 4.28Å; P300-E323 WeakPolarHBondContact CG-OE1 3.4Å; P300-K585 HydrophobicContact CB-CB 4.11Å; P300-K585 HydrophobicContact CB-CD 4.17Å; P300-K585 WeakPolarHBondContact O-CA 3.3Å; P300-K585 WeakPolarHBondContact O-CB 3.41Å; P300-K585 PolarHBondContact O-N 3.38Å
301	K	85.9	Confident	78.7	Confident	66 Å²	66	39.4 Å²	39.4	29%	0.287	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.4	178.8	-71.6	177	-177.1	173.7	0	107.5	L299 F322 V535 V582 I583	L299-K301 PolarHBondContact O-N 2.72Å; K301-F322 WeakPolarHBondContact O-CD2 3.45Å; K301-V535 HydrophobicContact CB-CG2 4.08Å; K301-V535 HydrophobicContact CD-CG2 3.6Å; K301-V535 HydrophobicContact CG-CG2 4.5Å; K301-V582 HydrophobicContact CB-CG1 3.86Å; K301-V582 HydrophobicContact CD-CG1 4.09Å; K301-V582 HydrophobicContact CG-CG1 4.25Å; K301-I583 CarbonylContact C-O 3.42Å; K301-I583 VanDerWaalsContact CA-O 3.3Å; K301-I583 WeakPolarHBondContact CA-O 3.49Å
302	V	93.2	Very high	80.1	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.3	172.5	-62.2	0	0	0	0	109.4	C319 Y320 V582 I583 K585	V302-C319 VanDerWaalsContact CB-SG 3.52Å; V302-C319 VanDerWaalsContact CG2-SG 3.51Å; V302-Y320 WeakPolarHBondContact CA-O 3.3Å; V302-Y320 WeakPolarHBondContact CB-O 3.37Å; V302-V582 WeakPolarHBondContact O-CA 3.34Å; V302-I583 HydrophobicContact CG2-CD1 4.13Å; V302-I583 HydrophobicContact CG2-CG1 3.47Å; V302-I583 VanDerWaalsContact CG2-CG1 3.47Å; V302-I583 PolarHBondContact N-O 3.4Å; V302-I583 PolarHBondContact O-N 3.49Å; V302-K585 HydrophobicContact CG1-CB 3.96Å; V302-K585 HydrophobicContact CG1-CD 4.25Å; V302-K585 HydrophobicContact CG1-CG 4.21Å
303	M	96.8	Very high	81.5	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.9	-179	174.4	177.1	62.3	0	0	109.8	C319 Y320 F322 W327 V542 V554 V580	M303-C319 CarbonylContact O-C 3.57Å; M303-C319 WeakPolarHBondContact O-CA 3.26Å; M303-Y320 HydrophobicContact CE-CD1 4.01Å; M303-Y320 HydrophobicContact CE-CG 4.19Å; M303-Y320 PolarHBondContact N-O 3.36Å; M303-Y320 PolarHBondContact O-N 3.44Å; M303-F322 HydrophobicContact CB-CE2 3.65Å; M303-F322 HydrophobicContact CB-CZ 3.68Å; M303-F322 HydrophobicContact SD-CZ 4.48Å; M303-W327 HydrophobicContact CE-CH2 3.82Å; M303-W327 HydrophobicContact CE-CZ2 4.18Å; M303-V542 HydrophobicContact CE-CG2 3.95Å; M303-V542 HydrophobicContact SD-CG2 3.51Å; M303-V542 VanDerWaalsContact SD-CG2 3.51Å; M303-V554 HydrophobicContact CE-CG1 4.34Å; M303-V580 HydrophobicContact CG-CG1 3.56Å; M303-V580 HydrophobicContact SD-CG1 3.91Å
304	I	97.4	Very high	83.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.2	179.5	-61.3	-179.3	0	0	0	109.9	V306 V317 E318 C319 I330 Y367 V580 A581 I583	I304-V306 HydrophobicContact CG2-CG2 3.71Å; I304-V317 HydrophobicContact CG2-CG1 3.38Å; I304-E318 CarbonylContact C-O 3.59Å; I304-E318 WeakPolarHBondContact CA-O 3.41Å; I304-C319 HydrophobicContact CG1-CB 4.44Å; I304-I330 HydrophobicContact CD1-CD1 3.75Å; I304-I330 HydrophobicContact CG1-CD1 4.09Å; I304-I330 HydrophobicContact CG2-CD1 3.88Å; I304-Y367 HydrophobicContact CD1-CD1 4.14Å; I304-Y367 HydrophobicContact CD1-CE1 3.7Å; I304-V580 VanDerWaalsContact O-CA 3.26Å; I304-V580 WeakPolarHBondContact O-CA 3.24Å; I304-A581 PolarHBondContact N-O 3.35Å; I304-A581 PolarHBondContact O-N 3.16Å; I304-I583 HydrophobicContact CD1-CD1 3.32Å; I304-I583 HydrophobicContact CD1-CG1 3.62Å; I304-I583 HydrophobicContact CD1-CG2 4.17Å; I304-I583 HydrophobicContact CG1-CD1 4.33Å; I304-I583 HydrophobicContact CG1-CG1 4.17Å
305	V	98.3	Very high	84.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.3	176.4	-171.6	0	0	0	0	109.3	V317 E318 W327 V542 M571 A578 V580	V305-V317 WeakPolarHBondContact O-CA 3.4Å; V305-E318 PolarHBondContact N-O 3.08Å; V305-E318 PolarHBondContact O-N 2.89Å; V305-W327 HydrophobicContact CB-CZ3 4.41Å; V305-W327 HydrophobicContact CG2-CH2 3.7Å; V305-W327 HydrophobicContact CG2-CZ3 3.54Å; V305-V542 HydrophobicContact CG1-CG1 4.27Å; V305-V542 HydrophobicContact CG2-CG1 3.73Å; V305-M571 HydrophobicContact CB-SD 4.43Å; V305-M571 HydrophobicContact CG1-SD 4Å; V305-M571 HydrophobicContact CG2-SD 4.18Å; V305-A578 HydrophobicContact CG1-CB 3.76Å; V305-V580 HydrophobicContact CG1-CG2 4.29Å; V305-V580 HydrophobicContact CG2-CG2 4.18Å
306	V	98.4	Very high	86.7	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	-167.8	-178.9	0	0	0	0	111	I304 V317 L333 V342 V349 A351 W374 G579	I304-V306 HydrophobicContact CG2-CG2 3.71Å; V306-V317 HydrophobicContact CG1-CG2 4.37Å; V306-V317 HydrophobicContact CG2-CG1 4.14Å; V306-L333 HydrophobicContact CG1-CD1 3.84Å; V306-L333 HydrophobicContact CG1-CD2 3.85Å; V306-L333 HydrophobicContact CG1-CG 4.06Å; V306-V342 HydrophobicContact CB-CG1 4.37Å; V306-V342 HydrophobicContact CB-CG2 4.1Å; V306-V342 HydrophobicContact CG1-CG2 4.35Å; V306-V342 HydrophobicContact CG2-CG1 4.03Å; V306-V349 HydrophobicContact CG2-CG1 4.24Å; V306-A351 HydrophobicContact CG1-CB 4.14Å; V306-W374 HydrophobicContact CG1-CH2 3.7Å; V306-W374 HydrophobicContact CG1-CZ2 4.05Å; V306-W374 HydrophobicContact CG2-CH2 4.14Å; V306-W374 HydrophobicContact CG2-CZ2 4.36Å; V306-G579 PolarHBondContact N-O 2.97Å; V306-G579 PolarHBondContact O-N 3.32Å
307	G	97.8	Very high	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.			trans	62	-138	173.6	0	0	0	0	0	112.9	S316 R575 A578	G307-S316 WeakPolarHBondContact CA-O 3.23Å; G307-S316 PolarHBondContact N-O 3.4Å; G307-S316 VanDerWaalsContact N-O 3.11Å; G307-R575 PolarHBondContact O-NH1 3.48Å; G307-A578 WeakPolarHBondContact O-CB 3.42Å
308	G	97.6	Very high	91	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.			trans	110.3	-166.7	-179.9	0	0	0	0	0	113.3	A313 I314 R337 C338 S576	G308-A313 WeakPolarHBondContact O-CA 3.38Å; G308-I314 WeakPolarHBondContact O-CG1 3.43Å; G308-I314 PolarHBondContact O-N 2.75Å; G308-R337 PolarHBondContact N-O 3.5Å; G308-C338 VanDerWaalsContact C-CB 3.43Å; G308-C338 VanDerWaalsContact O-CB 3.29Å; G308-C338 WeakPolarHBondContact O-CB 3.41Å; G308-S576 CarbonylContact C-O 3.58Å; G308-S576 WeakPolarHBondContact CA-O 3.37Å
309	Q	97.2	Very high	93.1	Very high	46 Å²	46	32.9 Å²	32.9	22%	0.215	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-118	122.5	-174.6	-176.2	178.4	-31.4	0	0	109.9	P311 K312 C338 N550 R575 S576	Q309-P311 VanDerWaalsContact CD-O 3.28Å; Q309-P311 WeakPolarHBondContact CG-O 3.41Å; Q309-P311 PolarHBondContact NE2-O 2.7Å; Q309-K312 CarbonylContact C-O 3.59Å; Q309-K312 WeakPolarHBondContact CA-O 3.06Å; Q309-C338 HydrophobicContact CB-CB 4.38Å; Q309-N550 PolarHBondContact O-ND2 3.37Å; Q309-R575 WeakPolarHBondContact O-CA 3.35Å; Q309-S576 WeakPolarHBondContact CB-O 3.44Å; Q309-S576 PolarHBondContact N-O 3.2Å; Q309-S576 PolarHBondContact O-N 2.91Å
310	A	94.1	Very high	94.8	Very high	27 Å²	27	30.6 Å²	30.6	22%	0.223	16%	0.157	C	C	.	.	S	Bend	trans	-153.5	79.5	178	0	0	0	0	0	113.8	K312 I314 T573 G574	A310-K312 PolarHBondContact N-O 3.26Å; A310-I314 HydrophobicContact CB-CD1 4.3Å; A310-I314 HydrophobicContact CB-CG2 4.25Å; A310-T573 HydrophobicContact CB-CG2 3.67Å; A310-G574 WeakPolarHBondContact CB-O 3.36Å
311	P	88.9	Confident	95.6	Very high	103 Å²	103	29.4 Å²	29.4	67%	0.669	15%	0.149	S	C	*	.	S	Bend	cis	-81.2	1.7	-25.4	37	-35.4	0	0	0	111.9	Q309	Q309-P311 VanDerWaalsContact CD-O 3.28Å; Q309-P311 WeakPolarHBondContact CG-O 3.41Å; Q309-P311 PolarHBondContact NE2-O 2.7Å
312	K	94.9	Very high	95.7	Very high	160 Å²	160	28.4 Å²	28.4	70%	0.696	15%	0.145	S	C	*	.	S	Bend	trans	-106	169.8	170.9	-65.8	-176.5	-179.9	178.7	0	109.8	Q309 A310 I314	Q309-K312 CarbonylContact C-O 3.59Å; Q309-K312 WeakPolarHBondContact CA-O 3.06Å; A310-K312 PolarHBondContact N-O 3.26Å; K312-I314 WeakPolarHBondContact O-CG2 3.39Å; K312-I314 PolarHBondContact O-N 3.07Å
313	A	97.1	Very high	95.3	Very high	6 Å²	6	34.8 Å²	34.8	5%	0.05	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-58.1	132.2	176.1	0	0	0	0	0	111.3	G308 R336 C338	G308-A313 WeakPolarHBondContact O-CA 3.38Å; A313-R336 HydrophobicContact CB-CB 4.09Å; A313-R336 WeakPolarHBondContact O-CD 3.43Å; A313-C338 HydrophobicContact CB-CB 4.27Å
314	I	97.6	Very high	94.8	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.169	19%	0.194	C	C	.	.			trans	-115	166.5	-178.9	63.6	-179.8	0	0	0	112.1	G308 A310 K312 R336 R337	G308-I314 WeakPolarHBondContact O-CG1 3.43Å; G308-I314 PolarHBondContact O-N 2.75Å; A310-I314 HydrophobicContact CB-CD1 4.3Å; A310-I314 HydrophobicContact CB-CG2 4.25Å; K312-I314 WeakPolarHBondContact O-CG2 3.39Å; K312-I314 PolarHBondContact O-N 3.07Å; I314-R336 WeakPolarHBondContact O-CA 3.4Å; I314-R337 PolarHBondContact O-N 3.4Å
315	R	97.9	Very high	94.2	Very high	103 Å²	103	41.6 Å²	41.6	39%	0.389	21%	0.208	S	C	.	.			trans	-100.1	-22.5	173.8	-60.4	179.6	65.7	175.3	-5.4	113.3	V317 E332 L333 P334 R336	R315-V317 PolarHBondContact O-N 2.93Å; R315-E332 HydrophobicContact CB-CB 4.18Å; R315-E332 IonicContact NE-OE2 3.23Å; R315-L333 VanDerWaalsContact CZ-O 3.23Å; R315-L333 PolarHBondContact NE-O 2.87Å; R315-L333 PolarHBondContact NH2-O 2.98Å; R315-L333 PolarHBondContact O-N 2.8Å; R315-P334 PolarHBondContact NH2-O 3.49Å; R315-R336 HydrophobicContact CG-CB 4.32Å; R315-R336 HydrophobicContact CG-CG 3.63Å
316	S	97.8	Very high	93.9	Very high	21 Å²	21	46.9 Å²	46.9	15%	0.147	23%	0.228	C	C	.	.			trans	-55.2	135	-174.3	159.6	0	0	0	0	111.6	G307 R575	G307-S316 WeakPolarHBondContact CA-O 3.23Å; G307-S316 PolarHBondContact N-O 3.4Å; G307-S316 VanDerWaalsContact N-O 3.11Å; S316-R575 PolarHBondContact O-NH1 3.46Å; S316-R575 PolarHBondContact OG-NH2 2.9Å
317	V	98.1	Very high	93.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	172.3	-174.8	0	0	0	0	106.7	I304 V305 V306 R315 I330 L333 W374	I304-V317 HydrophobicContact CG2-CG1 3.38Å; V305-V317 WeakPolarHBondContact O-CA 3.4Å; V306-V317 HydrophobicContact CG1-CG2 4.37Å; V306-V317 HydrophobicContact CG2-CG1 4.14Å; R315-V317 PolarHBondContact O-N 2.93Å; V317-I330 HydrophobicContact CB-CD1 4.48Å; V317-I330 HydrophobicContact CB-CG1 3.92Å; V317-I330 HydrophobicContact CG1-CD1 3.64Å; V317-I330 HydrophobicContact CG1-CG1 3.6Å; V317-I330 PolarHBondContact O-N 3.42Å; V317-L333 HydrophobicContact CG2-CD1 4.47Å; V317-L333 HydrophobicContact CG2-CG 3.94Å; V317-W374 HydrophobicContact CG1-CZ2 4.45Å; V317-W374 HydrophobicContact CG2-CZ2 3.91Å
318	E	97.2	Very high	93.6	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.023	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.3	177.9	-63.3	-175.9	-105.6	0	0	109.3	I304 V305 W327 D328 S572 R575	I304-E318 CarbonylContact C-O 3.59Å; I304-E318 WeakPolarHBondContact CA-O 3.41Å; V305-E318 PolarHBondContact N-O 3.08Å; V305-E318 PolarHBondContact O-N 2.89Å; E318-W327 HydrophobicContact CB-CE3 3.79Å; E318-W327 HydrophobicContact CB-CZ3 4.11Å; E318-D328 CarbonylContact C-O 3.56Å; E318-D328 WeakPolarHBondContact CA-O 3.3Å; E318-S572 PolarHBondContact OE1-OG 3.24Å; E318-S572 VanDerWaalsContact OE2-CB 3.29Å; E318-S572 WeakPolarHBondContact OE2-CB 3.5Å; E318-S572 PolarHBondContact OE2-N 3.43Å; E318-S572 PolarHBondContact OE2-OG 3.1Å; E318-R575 IonicContact OE1-CZ 3.56Å; E318-R575 IonicContact OE1-NE 3.96Å; E318-R575 PolarHBondContact OE1-NE 3.27Å; E318-R575 IonicContact OE1-NH2 3.48Å; E318-R575 PolarHBondContact OE1-NH2 3.45Å
319	C	95.9	Very high	93.5	Very high	16 Å²	16	57.4 Å²	57.4	11%	0.108	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.9	177.5	-171.2	0	0	0	0	108.6	V302 M303 I304 W327 D328 I330	V302-C319 VanDerWaalsContact CB-SG 3.52Å; V302-C319 VanDerWaalsContact CG2-SG 3.51Å; M303-C319 CarbonylContact O-C 3.57Å; M303-C319 WeakPolarHBondContact O-CA 3.26Å; I304-C319 HydrophobicContact CG1-CB 4.44Å; C319-W327 CarbonylContact O-C 3.52Å; C319-W327 WeakPolarHBondContact O-CA 3.31Å; C319-D328 PolarHBondContact N-O 3.17Å; C319-D328 PolarHBondContact O-N 3.32Å; C319-I330 HydrophobicContact CB-CD1 4.31Å; C319-I330 HydrophobicContact CB-CG2 3.7Å
320	Y	96.3	Very high	93.4	Very high	12 Å²	12	56.6 Å²	56.6	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.3	173.8	178.7	-104.2	0	0	0	110.1	V302 M303 F322 D325 R326 W327 L567 T569	V302-Y320 WeakPolarHBondContact CA-O 3.3Å; V302-Y320 WeakPolarHBondContact CB-O 3.37Å; M303-Y320 HydrophobicContact CE-CD1 4.01Å; M303-Y320 HydrophobicContact CE-CG 4.19Å; M303-Y320 PolarHBondContact N-O 3.36Å; M303-Y320 PolarHBondContact O-N 3.44Å; Y320-F322 AromaticContact CD1-CD1 3.97Å; Y320-F322 HydrophobicContact CD1-CD1 3.97Å; Y320-F322 HydrophobicContact CD1-CD2 4.24Å; Y320-F322 AromaticContact CD1-CE1 3.94Å; Y320-F322 HydrophobicContact CD1-CE1 3.94Å; Y320-F322 HydrophobicContact CD1-CE2 4.29Å; Y320-F322 HydrophobicContact CD1-CG 4.13Å; Y320-F322 HydrophobicContact CD1-CZ 4.12Å; Y320-F322 HydrophobicContact CE1-CB 4.42Å; Y320-F322 AromaticContact CE1-CD1 3.57Å; Y320-F322 HydrophobicContact CE1-CD1 3.57Å; Y320-F322 HydrophobicContact CE1-CD2 4.5Å; Y320-F322 AromaticContact CE1-CE1 3.86Å; Y320-F322 HydrophobicContact CE1-CE1 3.86Å; Y320-F322 AromaticContact CE1-CG 3.93Å; Y320-F322 HydrophobicContact CE1-CG 3.93Å; Y320-F322 HydrophobicContact CE1-CZ 4.49Å; Y320-D325 WeakPolarHBondContact CE2-OD1 3.27Å; Y320-D325 PolarHBondContact OH-OD1 3.11Å; Y320-R326 WeakPolarHBondContact CA-O 3.35Å; Y320-R326 WeakPolarHBondContact CD2-O 3.3Å; Y320-W327 AromaticContact CD2-CD1 3.81Å; Y320-W327 AromaticContact CD2-CD2 3.92Å; Y320-W327 HydrophobicContact CD2-CD2 3.92Å; Y320-W327 AromaticContact CD2-CE2 3.54Å; Y320-W327 HydrophobicContact CD2-CG 4.1Å; Y320-W327 HydrophobicContact CD2-CZ2 4Å; Y320-W327 AromaticContact CD2-NE1 3.45Å; Y320-W327 AromaticContact CE2-NE1 3.99Å; Y320-W327 HydrophobicContact CG-CD2 4.35Å; Y320-W327 AromaticContact CG-CE2 4Å; Y320-W327 HydrophobicContact CG-CH2 4.4Å; Y320-W327 HydrophobicContact CG-CZ2 4.04Å; Y320-L567 HydrophobicContact CD1-CD1 4.26Å; Y320-L567 HydrophobicContact CD2-CD2 4.4Å; Y320-L567 HydrophobicContact CE1-CD1 3.7Å; Y320-L567 HydrophobicContact CE1-CD2 4.26Å; Y320-L567 HydrophobicContact CE1-CG 4.44Å; Y320-L567 HydrophobicContact CE2-CD1 4.37Å; Y320-L567 HydrophobicContact CE2-CD2 3.53Å; Y320-L567 VanDerWaalsContact CZ-CD2 3.44Å; Y320-L567 VanDerWaalsContact OH-CD2 3.3Å; Y320-L567 WeakPolarHBondContact OH-CD2 3.41Å; Y320-T569 WeakPolarHBondContact CE2-OG1 3.34Å
321	D	90.3	Very high	93.5	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.032	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119	173.3	-165.7	-51.7	0	0	0	110.1	E323 E324 D325 R326 K585	D321-E323 VanDerWaalsContact C-N 3.34Å; D321-E323 WeakPolarHBondContact OD1-CA 3.33Å; D321-E323 WeakPolarHBondContact OD1-CB 3.45Å; D321-E323 PolarHBondContact OD1-N 2.9Å; D321-E324 HydrophobicContact CB-CB 4.11Å; D321-E324 PolarHBondContact OD1-N 2.89Å; D321-D325 VanDerWaalsContact O-CA 3.29Å; D321-D325 WeakPolarHBondContact O-CA 3.37Å; D321-D325 PolarHBondContact O-N 2.95Å; D321-R326 PolarHBondContact N-O 2.83Å; D321-R326 PolarHBondContact O-N 3.36Å; D321-K585 VanDerWaalsContact OD2-CE 3.29Å; D321-K585 WeakPolarHBondContact OD2-CE 3.48Å; D321-K585 IonicContact OD2-NZ 3.1Å; D321-K585 PolarHBondContact OD2-NZ 3.12Å
322	F	87.2	Confident	93.9	Very high	46 Å²	46	55.6 Å²	55.6	20%	0.202	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.6	-178.8	-67.8	-89.1	0	0	0	113.5	K301 M303 Y320 V535 Y540	K301-F322 WeakPolarHBondContact O-CD2 3.45Å; M303-F322 HydrophobicContact CB-CE2 3.65Å; M303-F322 HydrophobicContact CB-CZ 3.68Å; M303-F322 HydrophobicContact SD-CZ 4.48Å; Y320-F322 AromaticContact CD1-CD1 3.97Å; Y320-F322 HydrophobicContact CD1-CD1 3.97Å; Y320-F322 HydrophobicContact CD1-CD2 4.24Å; Y320-F322 AromaticContact CD1-CE1 3.94Å; Y320-F322 HydrophobicContact CD1-CE1 3.94Å; Y320-F322 HydrophobicContact CD1-CE2 4.29Å; Y320-F322 HydrophobicContact CD1-CG 4.13Å; Y320-F322 HydrophobicContact CD1-CZ 4.12Å; Y320-F322 HydrophobicContact CE1-CB 4.42Å; Y320-F322 AromaticContact CE1-CD1 3.57Å; Y320-F322 HydrophobicContact CE1-CD1 3.57Å; Y320-F322 HydrophobicContact CE1-CD2 4.5Å; Y320-F322 AromaticContact CE1-CE1 3.86Å; Y320-F322 HydrophobicContact CE1-CE1 3.86Å; Y320-F322 AromaticContact CE1-CG 3.93Å; Y320-F322 HydrophobicContact CE1-CG 3.93Å; Y320-F322 HydrophobicContact CE1-CZ 4.49Å; F322-V535 HydrophobicContact CE1-CG1 3.94Å; F322-V535 HydrophobicContact CE2-CG1 4.22Å; F322-V535 HydrophobicContact CZ-CG1 3.56Å; F322-Y540 HydrophobicContact CE1-CD1 4.33Å; F322-Y540 AromaticContact CE1-CE1 3.68Å; F322-Y540 HydrophobicContact CE1-CE1 3.68Å; F322-Y540 HydrophobicContact CE1-CE2 4.13Å; F322-Y540 AromaticContact CE1-CZ 3.56Å
323	E	85.5	Confident	94.1	Very high	139 Å²	139	48 Å²	48	65%	0.65	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-42.1	178.4	-62	-171.3	161.7	0	0	110.9	P300 D321	P300-E323 HydrophobicContact CB-CG 4.28Å; P300-E323 WeakPolarHBondContact CG-OE1 3.4Å; D321-E323 VanDerWaalsContact C-N 3.34Å; D321-E323 WeakPolarHBondContact OD1-CA 3.33Å; D321-E323 WeakPolarHBondContact OD1-CB 3.45Å; D321-E323 PolarHBondContact OD1-N 2.9Å
324	E	84.3	Confident	94.1	Very high	87 Å²	87	50.4 Å²	50.4	41%	0.407	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.3	-178.5	-58.5	-171.4	-135.5	0	0	113.2	D321 R326 K585	D321-E324 HydrophobicContact CB-CB 4.11Å; D321-E324 PolarHBondContact OD1-N 2.89Å; E324-R326 VanDerWaalsContact C-N 3.27Å; E324-R326 HydrophobicContact CB-CG 4.04Å; E324-R326 PolarHBondContact O-N 3.3Å; E324-R326 IonicContact OE1-NH2 2.79Å; E324-R326 PolarHBondContact OE1-NH2 2.98Å; E324-R326 IonicContact OE2-CZ 2.77Å; E324-R326 IonicContact OE2-NE 3.51Å; E324-R326 IonicContact OE2-NH1 2.69Å; E324-R326 PolarHBondContact OE2-NH1 3.49Å; E324-R326 IonicContact OE2-NH2 3.93Å; E324-R326 PolarHBondContact OE2-NH2 3.33Å; E324-K585 IonicContact OE1-NZ 2.58Å; E324-K585 PolarHBondContact OE1-NZ 2.76Å
325	D	86.8	Confident	94	Very high	57 Å²	57	51.1 Å²	51.1	31%	0.305	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	46.5	-177	-173	22.8	0	0	0	112.6	Y320 D321 P568 T569	Y320-D325 WeakPolarHBondContact CE2-OD1 3.27Å; Y320-D325 PolarHBondContact OH-OD1 3.11Å; D321-D325 VanDerWaalsContact O-CA 3.29Å; D321-D325 WeakPolarHBondContact O-CA 3.37Å; D321-D325 PolarHBondContact O-N 2.95Å; D325-P568 WeakPolarHBondContact OD2-CG 3.25Å; D325-T569 VanDerWaalsContact O-CG2 3.28Å; D325-T569 WeakPolarHBondContact O-CG2 3.46Å; D325-T569 PolarHBondContact O-OG1 3.4Å; D325-T569 PolarHBondContact OD1-OG1 3.09Å
326	R	91.7	Very high	94	Very high	112 Å²	112	53.2 Å²	53.2	42%	0.423	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157	-177.6	78.6	175.8	-167.7	-137.9	-19.9	113.1	Y320 D321 E324 D328	Y320-R326 WeakPolarHBondContact CA-O 3.35Å; Y320-R326 WeakPolarHBondContact CD2-O 3.3Å; D321-R326 PolarHBondContact N-O 2.83Å; D321-R326 PolarHBondContact O-N 3.36Å; E324-R326 VanDerWaalsContact C-N 3.27Å; E324-R326 HydrophobicContact CB-CG 4.04Å; E324-R326 PolarHBondContact O-N 3.3Å; E324-R326 IonicContact OE1-NH2 2.79Å; E324-R326 PolarHBondContact OE1-NH2 2.98Å; E324-R326 IonicContact OE2-CZ 2.77Å; E324-R326 IonicContact OE2-NE 3.51Å; E324-R326 IonicContact OE2-NH1 2.69Å; E324-R326 PolarHBondContact OE2-NH1 3.49Å; E324-R326 IonicContact OE2-NH2 3.93Å; E324-R326 PolarHBondContact OE2-NH2 3.33Å; R326-D328 IonicContact CZ-OD2 3.6Å; R326-D328 IonicContact NE-OD1 3.31Å; R326-D328 PolarHBondContact NE-OD1 3.45Å; R326-D328 IonicContact NE-OD2 2.81Å; R326-D328 PolarHBondContact NE-OD2 3.15Å; R326-D328 IonicContact NH2-OD2 3.16Å
327	W	95.6	Very high	94	Very high	37 Å²	37	52.4 Å²	52.4	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.1	175.1	-69.5	89.7	0	0	0	110.1	M303 V305 E318 C319 Y320 V554 T569 N570 M571	M303-W327 HydrophobicContact CE-CH2 3.82Å; M303-W327 HydrophobicContact CE-CZ2 4.18Å; V305-W327 HydrophobicContact CB-CZ3 4.41Å; V305-W327 HydrophobicContact CG2-CH2 3.7Å; V305-W327 HydrophobicContact CG2-CZ3 3.54Å; E318-W327 HydrophobicContact CB-CE3 3.79Å; E318-W327 HydrophobicContact CB-CZ3 4.11Å; C319-W327 CarbonylContact O-C 3.52Å; C319-W327 WeakPolarHBondContact O-CA 3.31Å; Y320-W327 AromaticContact CD2-CD1 3.81Å; Y320-W327 AromaticContact CD2-CD2 3.92Å; Y320-W327 HydrophobicContact CD2-CD2 3.92Å; Y320-W327 AromaticContact CD2-CE2 3.54Å; Y320-W327 HydrophobicContact CD2-CG 4.1Å; Y320-W327 HydrophobicContact CD2-CZ2 4Å; Y320-W327 AromaticContact CD2-NE1 3.45Å; Y320-W327 AromaticContact CE2-NE1 3.99Å; Y320-W327 HydrophobicContact CG-CD2 4.35Å; Y320-W327 AromaticContact CG-CE2 4Å; Y320-W327 HydrophobicContact CG-CH2 4.4Å; Y320-W327 HydrophobicContact CG-CZ2 4.04Å; W327-V554 HydrophobicContact CH2-CG2 4.23Å; W327-V554 HydrophobicContact CZ2-CG2 3.75Å; W327-T569 PolarHBondContact NE1-O 3.03Å; W327-N570 PolarHBondContact NE1-O 3.13Å; W327-M571 HydrophobicContact CD2-CG 4.05Å; W327-M571 HydrophobicContact CE3-CG 4.02Å; W327-M571 HydrophobicContact CH2-CG 3.43Å; W327-M571 VanDerWaalsContact CH2-CG 3.43Å; W327-M571 HydrophobicContact CH2-SD 4.08Å; W327-M571 HydrophobicContact CZ2-CG 3.5Å; W327-M571 VanDerWaalsContact CZ2-CG 3.5Å; W327-M571 HydrophobicContact CZ3-CG 3.71Å; W327-M571 HydrophobicContact CZ3-SD 4.35Å
328	D	93.4	Very high	94	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146	175.8	-67.9	-52.9	0	0	0	110.2	E318 C319 R326	E318-D328 CarbonylContact C-O 3.56Å; E318-D328 WeakPolarHBondContact CA-O 3.3Å; C319-D328 PolarHBondContact N-O 3.17Å; C319-D328 PolarHBondContact O-N 3.32Å; R326-D328 IonicContact CZ-OD2 3.6Å; R326-D328 IonicContact NE-OD1 3.31Å; R326-D328 PolarHBondContact NE-OD1 3.45Å; R326-D328 IonicContact NE-OD2 2.81Å; R326-D328 PolarHBondContact NE-OD2 3.15Å; R326-D328 IonicContact NH2-OD2 3.16Å
329	Q	95.1	Very high	94	Very high	123 Å²	123	55.3 Å²	55.3	58%	0.575	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.4	172.9	-174.7	167.6	-12.7	0	0	109.6	E332	Q329-E332 PolarHBondContact NE2-OE1 3.34Å
330	I	95.1	Very high	94.2	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-175.9	177.2	64.9	173.9	0	0	0	110.4	I304 V317 C319 E332 Y367	I304-I330 HydrophobicContact CD1-CD1 3.75Å; I304-I330 HydrophobicContact CG1-CD1 4.09Å; I304-I330 HydrophobicContact CG2-CD1 3.88Å; V317-I330 HydrophobicContact CB-CD1 4.48Å; V317-I330 HydrophobicContact CB-CG1 3.92Å; V317-I330 HydrophobicContact CG1-CD1 3.64Å; V317-I330 HydrophobicContact CG1-CG1 3.6Å; V317-I330 PolarHBondContact O-N 3.42Å; C319-I330 HydrophobicContact CB-CD1 4.31Å; C319-I330 HydrophobicContact CB-CG2 3.7Å; I330-E332 PolarHBondContact O-N 3.35Å; I330-Y367 HydrophobicContact CD1-CE1 4.03Å; I330-Y367 HydrophobicContact CD1-CE2 4.37Å
331	A	96.4	Very high	94.3	Very high	23 Å²	23	55 Å²	55	19%	0.19	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-51	128.1	-178.6	0	0	0	0	0	112.6	Y367 D372 W374	A331-Y367 HydrophobicContact CB-CE2 4.2Å; A331-D372 WeakPolarHBondContact CB-O 3.32Å; A331-D372 WeakPolarHBondContact CB-OD1 3.43Å; A331-D372 PolarHBondContact N-OD1 3.5Å; A331-W374 PolarHBondContact O-NE1 2.72Å
332	E	97.9	Very high	94.7	Very high	87 Å²	87	55.6 Å²	55.6	41%	0.407	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-73.8	151.7	-179.5	-63.1	-167.4	168.4	0	0	112	R315 Q329 I330	R315-E332 HydrophobicContact CB-CB 4.18Å; R315-E332 IonicContact NE-OE2 3.23Å; Q329-E332 PolarHBondContact NE2-OE1 3.34Å; I330-E332 PolarHBondContact O-N 3.35Å
333	L	98	Very high	95.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.2	146.5	171.7	-74.2	162	0	0	0	111.4	V306 R315 V317 S335 R337 A351 W374	V306-L333 HydrophobicContact CG1-CD1 3.84Å; V306-L333 HydrophobicContact CG1-CD2 3.85Å; V306-L333 HydrophobicContact CG1-CG 4.06Å; R315-L333 VanDerWaalsContact CZ-O 3.23Å; R315-L333 PolarHBondContact NE-O 2.87Å; R315-L333 PolarHBondContact NH2-O 2.98Å; R315-L333 PolarHBondContact O-N 2.8Å; V317-L333 HydrophobicContact CG2-CD1 4.47Å; V317-L333 HydrophobicContact CG2-CG 3.94Å; L333-S335 WeakPolarHBondContact CB-O 3.23Å; L333-S335 PolarHBondContact O-N 3.4Å; L333-S335 VanDerWaalsContact O-N 3.17Å; L333-R337 HydrophobicContact CD1-CB 3.94Å; L333-A351 HydrophobicContact CD2-CB 4.18Å; L333-W374 HydrophobicContact CD2-CD2 3.95Å; L333-W374 HydrophobicContact CD2-CE3 3.83Å; L333-W374 HydrophobicContact CD2-CH2 3.64Å; L333-W374 HydrophobicContact CD2-CZ2 3.75Å; L333-W374 HydrophobicContact CD2-CZ3 3.67Å; L333-W374 HydrophobicContact CG-CZ2 4.27Å
334	P	97.3	Very high	95.7	Very high	55 Å²	55	51.2 Å²	51.2	36%	0.357	25%	0.248	S	C	.	.	S	Bend	trans	-59.7	-29.5	177.1	-25.7	35.3	0	0	0	113.6	R315 D365 W374	R315-P334 PolarHBondContact NH2-O 3.49Å; P334-D365 HydrophobicContact CG-CB 4.48Å; P334-W374 HydrophobicContact CG-CB 3.69Å; P334-W374 HydrophobicContact CG-CG 4.47Å
335	S	95.8	Very high	96.2	Very high	48 Å²	48	47.4 Å²	47.4	34%	0.336	23%	0.23	S	C	.	.	S	Bend	trans	-141.3	160	176.8	67.8	0	0	0	0	111.1	L333 R337	L333-S335 WeakPolarHBondContact CB-O 3.23Å; L333-S335 PolarHBondContact O-N 3.4Å; L333-S335 VanDerWaalsContact O-N 3.17Å; S335-R337 PolarHBondContact O-N 3.2Å
336	R	97.6	Very high	96.1	Very high	148 Å²	148	47.3 Å²	47.3	56%	0.558	24%	0.237	S	C	*	.			trans	-60.6	133.9	177.4	-67.3	171.9	-173.2	-161.6	2.9	109.1	A313 I314 R315 N356	A313-R336 HydrophobicContact CB-CB 4.09Å; A313-R336 WeakPolarHBondContact O-CD 3.43Å; I314-R336 WeakPolarHBondContact O-CA 3.4Å; R315-R336 HydrophobicContact CG-CB 4.32Å; R315-R336 HydrophobicContact CG-CG 3.63Å; R336-N356 WeakPolarHBondContact O-CA 3.45Å; R336-N356 VanDerWaalsContact O-CB 3.23Å; R336-N356 WeakPolarHBondContact O-CB 3.49Å
337	R	98.1	Very high	95.8	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.015	24%	0.241	C	C	.	.			trans	-149.2	134.1	-179	-171.9	176.5	-79.2	166.2	-5.2	111.4	G308 I314 L333 S335 A340 A351 G353 T363 D365	G308-R337 PolarHBondContact N-O 3.5Å; I314-R337 PolarHBondContact O-N 3.4Å; L333-R337 HydrophobicContact CD1-CB 3.94Å; S335-R337 PolarHBondContact O-N 3.2Å; R337-A340 HydrophobicContact CG-CB 3.77Å; R337-A351 VanDerWaalsContact NH1-CB 3.26Å; R337-A351 PolarHBondContact NH1-O 3.06Å; R337-G353 VanDerWaalsContact CD-O 3.24Å; R337-G353 WeakPolarHBondContact CD-O 3.41Å; R337-G353 PolarHBondContact NE-O 3.37Å; R337-G353 VanDerWaalsContact NE-O 3.09Å; R337-T363 PolarHBondContact NH2-O 3.46Å; R337-T363 PolarHBondContact NH2-OG1 2.87Å; R337-D365 IonicContact CZ-OD2 3Å; R337-D365 IonicContact NH1-OD2 3.54Å; R337-D365 PolarHBondContact NH1-OD2 2.75Å; R337-D365 IonicContact NH2-OD2 3.87Å; R337-D365 PolarHBondContact NH2-OD2 3.06Å
338	C	98.1	Very high	95.7	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.02	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-140	170.1	167.3	66.5	0	0	0	0	109.2	G308 Q309 A313 A340 G354 F355	G308-C338 VanDerWaalsContact C-CB 3.43Å; G308-C338 VanDerWaalsContact O-CB 3.29Å; G308-C338 WeakPolarHBondContact O-CB 3.41Å; Q309-C338 HydrophobicContact CB-CB 4.38Å; A313-C338 HydrophobicContact CB-CB 4.27Å; C338-A340 PolarHBondContact O-N 2.85Å; C338-A340 VanDerWaalsContact O-N 3.13Å; C338-G354 CarbonylContact O-C 3.58Å; C338-G354 VanDerWaalsContact O-CA 3.23Å; C338-G354 WeakPolarHBondContact O-CA 3.31Å; C338-F355 PolarHBondContact N-O 3.38Å; C338-F355 PolarHBondContact O-N 2.89Å; C338-F355 PolarHBondContact SG-O 3.29Å; C338-F355 VanDerWaalsContact SG-O 3.33Å
339	R	98.4	Very high	95.9	Very high	62 Å²	62	42.2 Å²	42.2	23%	0.234	23%	0.231	C	C	.	.	S	Bend	trans	59.5	25.2	176.9	-52.1	173.7	178.3	-136.9	-1.3	112.8	G354 T386 Y577	R339-G354 WeakPolarHBondContact O-CA 3.45Å; R339-T386 HydrophobicContact CB-CG2 3.81Å; R339-T386 HydrophobicContact CG-CG2 3.91Å; R339-T386 PolarHBondContact O-N 3.22Å; R339-Y577 HydrophobicContact CB-CD1 4.25Å; R339-Y577 HydrophobicContact CG-CD1 3.52Å; R339-Y577 HydrophobicContact CG-CD2 4.28Å; R339-Y577 HydrophobicContact CG-CE1 4.07Å; R339-Y577 HydrophobicContact CG-CG 3.61Å; R339-Y577 PolarHBondContact N-O 3.27Å
340	A	98.4	Very high	96.1	Very high	17 Å²	17	37 Å²	37	14%	0.14	21%	0.206	C	C	.	.			trans	-91.4	154.7	177.9	0	0	0	0	0	109.8	R337 C338 V352	R337-A340 HydrophobicContact CG-CB 3.77Å; C338-A340 PolarHBondContact O-N 2.85Å; C338-A340 VanDerWaalsContact O-N 3.13Å; A340-V352 WeakPolarHBondContact CA-O 3.41Å; A340-V352 WeakPolarHBondContact CB-O 3.36Å
341	G	98.5	Very high	96.3	Very high	5 Å²	5	35.6 Å²	35.6	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137	163.3	0	0	0	0	0	109	V352	G341-V352 PolarHBondContact N-O 2.93Å; G341-V352 PolarHBondContact O-N 3.33Å
342	V	98.7	Very high	96.4	Very high	19 Å²	19	34.5 Å²	34.5	12%	0.115	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.6	176.8	176.6	0	0	0	0	109.1	V306 V349 Y350 A351 A581	V306-V342 HydrophobicContact CB-CG1 4.37Å; V306-V342 HydrophobicContact CB-CG2 4.1Å; V306-V342 HydrophobicContact CG1-CG2 4.35Å; V306-V342 HydrophobicContact CG2-CG1 4.03Å; V342-V349 HydrophobicContact CG1-CG1 3.64Å; V342-Y350 VanDerWaalsContact CA-O 3.26Å; V342-Y350 WeakPolarHBondContact CA-O 3.35Å; V342-A351 HydrophobicContact CG2-CB 4.4Å; V342-A581 HydrophobicContact CG1-CB 4.15Å
343	V	98.3	Very high	96.4	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.085	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.6	-178.4	-63.7	0	0	0	0	111.2	V349 Y350 A389 V391 L396	V343-V349 WeakPolarHBondContact O-CA 3.37Å; V343-Y350 PolarHBondContact N-O 3.4Å; V343-Y350 VanDerWaalsContact N-O 3.14Å; V343-Y350 PolarHBondContact O-N 3Å; V343-A389 HydrophobicContact CG1-CB 3.71Å; V343-A389 VanDerWaalsContact CG1-O 3.27Å; V343-A389 WeakPolarHBondContact CG1-O 3.35Å; V343-V391 HydrophobicContact CB-CG2 3.97Å; V343-V391 HydrophobicContact CG2-CG2 3.94Å; V343-L396 HydrophobicContact CG2-CD1 3.61Å; V343-L396 HydrophobicContact CG2-CG 3.87Å
344	F	96.6	Very high	96.4	Very high	78 Å²	78	30.3 Å²	30.3	34%	0.342	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.7	169.2	177.7	-104.2	0	0	0	110	G347 H348 V349 A581 I583	F344-G347 VanDerWaalsContact CE2-C 3.41Å; F344-H348 WeakPolarHBondContact CA-O 3.47Å; F344-H348 WeakPolarHBondContact CD2-O 3.49Å; F344-V349 HydrophobicContact CD2-CG2 4.23Å; F344-A581 HydrophobicContact CB-CB 4.37Å; F344-I583 HydrophobicContact CD2-CG2 3.62Å; F344-I583 HydrophobicContact CE2-CB 4.29Å; F344-I583 HydrophobicContact CE2-CG2 3.82Å
345	M	94.2	Very high	96.5	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.034	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	134.6	177.6	178.4	-166.4	-95.3	0	0	109.8	G347 H348 Y350 V391 D394 L396 Y416	M345-G347 VanDerWaalsContact C-N 3.26Å; M345-G347 PolarHBondContact O-N 3.24Å; M345-G347 VanDerWaalsContact O-N 3.15Å; M345-H348 PolarHBondContact N-O 3.28Å; M345-H348 PolarHBondContact O-N 3.47Å; M345-Y350 HydrophobicContact CB-CD2 4.04Å; M345-Y350 HydrophobicContact CB-CE2 3.77Å; M345-Y350 HydrophobicContact CG-CE2 4.44Å; M345-Y350 HydrophobicContact SD-CE2 4.4Å; M345-V391 HydrophobicContact CB-CG2 3.94Å; M345-V391 HydrophobicContact CE-CB 4.35Å; M345-V391 HydrophobicContact CE-CG1 3.59Å; M345-V391 HydrophobicContact CE-CG2 4Å; M345-V391 HydrophobicContact CG-CG1 4.27Å; M345-V391 HydrophobicContact CG-CG2 4.48Å; M345-D394 WeakPolarHBondContact CE-O 3.19Å; M345-L396 HydrophobicContact CE-CB 3.59Å; M345-L396 HydrophobicContact SD-CB 4.37Å; M345-Y416 HydrophobicContact SD-CD1 3.68Å; M345-Y416 HydrophobicContact SD-CE1 4.37Å; M345-Y416 HydrophobicContact SD-CG 4.42Å
346	A	85.8	Confident	96.5	Very high	55 Å²	55	29.7 Å²	29.7	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.5	171.5	0	0	0	0	0	113.6	H348 Y416	A346-H348 VanDerWaalsContact C-N 3.3Å; A346-H348 PolarHBondContact O-N 3.09Å; A346-H348 PolarHBondContact O-ND1 3.16Å; A346-Y416 HydrophobicContact CB-CE1 4.44Å; A346-Y416 HydrophobicContact CB-CE2 4.45Å
347	G	85.1	Confident	96.2	Very high	48 Å²	48	24.5 Å²	24.5	50%	0.495	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-1.7	178.8	0	0	0	0	0	115.7	F344 M345	F344-G347 VanDerWaalsContact CE2-C 3.41Å; M345-G347 VanDerWaalsContact C-N 3.26Å; M345-G347 PolarHBondContact O-N 3.24Å; M345-G347 VanDerWaalsContact O-N 3.15Å
348	H	92.9	Very high	96	Very high	60 Å²	60	28.9 Å²	28.9	28%	0.278	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.6	-173.4	-59.4	81.2	0	0	0	112.3	F344 M345 A346 Y350 V366 Y367	F344-H348 WeakPolarHBondContact CA-O 3.47Å; F344-H348 WeakPolarHBondContact CD2-O 3.49Å; M345-H348 PolarHBondContact N-O 3.28Å; M345-H348 PolarHBondContact O-N 3.47Å; A346-H348 VanDerWaalsContact C-N 3.3Å; A346-H348 PolarHBondContact O-N 3.09Å; A346-H348 PolarHBondContact O-ND1 3.16Å; H348-Y350 HydrophobicContact CB-CD2 4.45Å; H348-Y350 HydrophobicContact CB-CE2 3.84Å; H348-V366 HydrophobicContact CB-CG1 3.51Å; H348-Y367 WeakPolarHBondContact CA-O 3.34Å; H348-Y367 WeakPolarHBondContact CB-O 3.18Å
349	V	98.3	Very high	95.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.9	173.7	-179.4	0	0	0	0	109.8	V306 V342 V343 F344 V366 Y367 A581 I583	V306-V349 HydrophobicContact CG2-CG1 4.24Å; V342-V349 HydrophobicContact CG1-CG1 3.64Å; V343-V349 WeakPolarHBondContact O-CA 3.37Å; F344-V349 HydrophobicContact CD2-CG2 4.23Å; V349-V366 CarbonylContact O-C 3.55Å; V349-V366 WeakPolarHBondContact O-CA 3.42Å; V349-Y367 HydrophobicContact CB-CD1 4.38Å; V349-Y367 HydrophobicContact CG2-CD1 4.38Å; V349-Y367 PolarHBondContact N-O 2.92Å; V349-Y367 VanDerWaalsContact N-O 3.09Å; V349-Y367 PolarHBondContact O-N 2.79Å; V349-A581 HydrophobicContact CG1-CB 3.82Å; V349-A581 HydrophobicContact CG2-CB 3.9Å; V349-I583 HydrophobicContact CG2-CG2 3.36Å
350	Y	98.7	Very high	95.9	Very high	13 Å²	13	34.1 Å²	34.1	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.3	-179.3	-68.9	-109.6	0	0	0	109.5	V342 V343 M345 H348 V364 V366 I377 L396 Y414	V342-Y350 VanDerWaalsContact CA-O 3.26Å; V342-Y350 WeakPolarHBondContact CA-O 3.35Å; V343-Y350 PolarHBondContact N-O 3.4Å; V343-Y350 VanDerWaalsContact N-O 3.14Å; V343-Y350 PolarHBondContact O-N 3Å; M345-Y350 HydrophobicContact CB-CD2 4.04Å; M345-Y350 HydrophobicContact CB-CE2 3.77Å; M345-Y350 HydrophobicContact CG-CE2 4.44Å; M345-Y350 HydrophobicContact SD-CE2 4.4Å; H348-Y350 HydrophobicContact CB-CD2 4.45Å; H348-Y350 HydrophobicContact CB-CE2 3.84Å; Y350-V364 HydrophobicContact CD1-CG1 4.36Å; Y350-V366 HydrophobicContact CD1-CG1 4.49Å; Y350-V366 HydrophobicContact CD1-CG2 3.45Å; Y350-V366 VanDerWaalsContact CD1-CG2 3.45Å; Y350-V366 HydrophobicContact CD2-CG1 4.44Å; Y350-V366 HydrophobicContact CE1-CB 4.48Å; Y350-V366 HydrophobicContact CE1-CG1 4.2Å; Y350-V366 HydrophobicContact CE1-CG2 3.43Å; Y350-V366 VanDerWaalsContact CE1-CG2 3.43Å; Y350-V366 HydrophobicContact CE2-CG1 4.13Å; Y350-V366 HydrophobicContact CG-CG2 4.13Å; Y350-I377 HydrophobicContact CD1-CD1 4.03Å; Y350-I377 HydrophobicContact CE1-CD1 3.84Å; Y350-L396 HydrophobicContact CD1-CD1 3.72Å; Y350-L396 HydrophobicContact CD2-CD1 4.47Å; Y350-L396 HydrophobicContact CG-CD1 3.7Å; Y350-Y414 HydrophobicContact CE1-CD1 4.43Å; Y350-Y414 AromaticContact CE1-CE1 3.88Å; Y350-Y414 HydrophobicContact CE1-CE1 3.88Å
351	A	98.7	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.4	169.4	0	0	0	0	0	109.3	V306 L333 R337 V342 V364 D365 W374	V306-A351 HydrophobicContact CG1-CB 4.14Å; L333-A351 HydrophobicContact CD2-CB 4.18Å; R337-A351 VanDerWaalsContact NH1-CB 3.26Å; R337-A351 PolarHBondContact NH1-O 3.06Å; V342-A351 HydrophobicContact CG2-CB 4.4Å; A351-V364 WeakPolarHBondContact O-CA 3.3Å; A351-D365 PolarHBondContact N-O 3.34Å; A351-D365 PolarHBondContact O-N 2.84Å; A351-W374 HydrophobicContact CB-CH2 4.21Å; A351-W374 HydrophobicContact CB-CZ3 3.89Å
352	V	98.8	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.8	-163.2	-173.4	0	0	0	0	110.3	A340 G341 V364 M380 L387 L396 A398 W421	A340-V352 WeakPolarHBondContact CA-O 3.41Å; A340-V352 WeakPolarHBondContact CB-O 3.36Å; G341-V352 PolarHBondContact N-O 2.93Å; G341-V352 PolarHBondContact O-N 3.33Å; V352-V364 HydrophobicContact CG1-CG2 4.1Å; V352-V364 HydrophobicContact CG2-CG1 4.06Å; V352-M380 HydrophobicContact CG1-CE 3.99Å; V352-M380 HydrophobicContact CG1-CG 4.38Å; V352-M380 HydrophobicContact CG1-SD 3.5Å; V352-M380 VanDerWaalsContact CG1-SD 3.5Å; V352-L387 HydrophobicContact CG1-CD1 4.15Å; V352-L396 HydrophobicContact CG1-CD2 4.47Å; V352-L396 HydrophobicContact CG2-CD1 3.84Å; V352-L396 HydrophobicContact CG2-CD2 4.05Å; V352-A398 HydrophobicContact CG1-CB 4.33Å; V352-W421 HydrophobicContact CG1-CH2 3.86Å; V352-W421 HydrophobicContact CG1-CZ2 4.35Å
353	G	98.6	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	64.7	-138.9	177.5	0	0	0	0	0	113.5	R337 V361 T363	R337-G353 VanDerWaalsContact CD-O 3.24Å; R337-G353 WeakPolarHBondContact CD-O 3.41Å; R337-G353 PolarHBondContact NE-O 3.37Å; R337-G353 VanDerWaalsContact NE-O 3.09Å; G353-V361 VanDerWaalsContact C-CG2 3.5Å; G353-V361 WeakPolarHBondContact CA-O 3.5Å; G353-V361 WeakPolarHBondContact O-CG2 3.44Å; G353-T363 PolarHBondContact N-O 2.85Å
354	G	98.4	Very high	95.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.234	C	C	.	.			trans	101.7	-153.7	177	0	0	0	0	0	114.7	C338 R339 R360 V361 R384	C338-G354 CarbonylContact O-C 3.58Å; C338-G354 VanDerWaalsContact O-CA 3.23Å; C338-G354 WeakPolarHBondContact O-CA 3.31Å; R339-G354 WeakPolarHBondContact O-CA 3.45Å; G354-R360 WeakPolarHBondContact O-CA 3.44Å; G354-V361 PolarHBondContact O-N 2.81Å; G354-R384 PolarHBondContact N-O 2.86Å
355	F	98.3	Very high	95.9	Very high	34 Å²	34	37.3 Å²	37.3	15%	0.149	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-136.1	126.8	-175.7	176.4	-121.2	0	0	0	110.2	C338 G357 S358 L359 R360	C338-F355 PolarHBondContact N-O 3.38Å; C338-F355 PolarHBondContact O-N 2.89Å; C338-F355 PolarHBondContact SG-O 3.29Å; C338-F355 VanDerWaalsContact SG-O 3.33Å; F355-G357 VanDerWaalsContact CZ-CA 3.49Å; F355-G357 WeakPolarHBondContact CZ-O 3.34Å; F355-S358 WeakPolarHBondContact CE2-O 3.49Å; F355-L359 VanDerWaalsContact CD2-O 3.26Å; F355-L359 WeakPolarHBondContact CD2-O 3.48Å; F355-R360 VanDerWaalsContact CD2-CD 3.42Å
356	N	95.1	Very high	96.1	Very high	55 Å²	55	37.2 Å²	37.2	29%	0.294	22%	0.219	S	C	.	.			trans	-93.3	9.8	-176.6	70.2	5.4	0	0	0	114.6	R336 S358 L359 V361	R336-N356 WeakPolarHBondContact O-CA 3.45Å; R336-N356 VanDerWaalsContact O-CB 3.23Å; R336-N356 WeakPolarHBondContact O-CB 3.49Å; N356-S358 PolarHBondContact OD1-N 2.98Å; N356-L359 PolarHBondContact N-O 3.49Å; N356-L359 PolarHBondContact OD1-N 2.82Å; N356-L359 PolarHBondContact OD1-O 3.41Å; N356-V361 HydrophobicContact CB-CG1 4.35Å
357	G	93.1	Very high	96.7	Very high	39 Å²	39	35 Å²	35	40%	0.402	20%	0.199	S	C	.	.	S	Bend	trans	97.9	-17.5	-173.6	0	0	0	0	0	113.9	F355	F355-G357 VanDerWaalsContact CZ-CA 3.49Å; F355-G357 WeakPolarHBondContact CZ-O 3.34Å
358	S	93.4	Very high	96.9	Very high	97 Å²	97	33.8 Å²	33.8	68%	0.678	18%	0.181	S	C	*	.	S	Bend	trans	-126.1	-48.7	176.8	-58.2	0	0	0	0	112.8	F355 N356	F355-S358 WeakPolarHBondContact CE2-O 3.49Å; N356-S358 PolarHBondContact OD1-N 2.98Å
359	L	95.3	Very high	96.6	Very high	112 Å²	112	31.5 Å²	31.5	59%	0.586	17%	0.174	S	C	*	.	S	Bend	trans	-125.7	150.4	-173.5	-63.8	174.9	0	0	0	111.7	F355 N356	F355-L359 VanDerWaalsContact CD2-O 3.26Å; F355-L359 WeakPolarHBondContact CD2-O 3.48Å; N356-L359 PolarHBondContact N-O 3.49Å; N356-L359 PolarHBondContact OD1-N 2.82Å; N356-L359 PolarHBondContact OD1-O 3.41Å
360	R	97.9	Very high	95.7	Very high	63 Å²	63	37.4 Å²	37.4	24%	0.238	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-76.6	134.9	168.1	-50.5	-35.1	-175.8	-94.2	7.4	107	G354 F355 R383 S385	G354-R360 WeakPolarHBondContact O-CA 3.44Å; F355-R360 VanDerWaalsContact CD2-CD 3.42Å; R360-R383 HydrophobicContact CB-CB 4.34Å; R360-R383 WeakPolarHBondContact O-CD 3.42Å; R360-S385 WeakPolarHBondContact CD-OG 3.14Å
361	V	98.2	Very high	95	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.121	23%	0.234	C	C	.	.			trans	-114.5	158.1	-171.9	-58.9	0	0	0	0	111.1	G353 G354 N356 T363 R384	G353-V361 VanDerWaalsContact C-CG2 3.5Å; G353-V361 WeakPolarHBondContact CA-O 3.5Å; G353-V361 WeakPolarHBondContact O-CG2 3.44Å; G354-V361 PolarHBondContact O-N 2.81Å; N356-V361 HydrophobicContact CB-CG1 4.35Å; V361-T363 WeakPolarHBondContact CG2-OG1 3.22Å; V361-R384 PolarHBondContact O-N 3.45Å; V361-R384 VanDerWaalsContact O-N 3.17Å
362	R	98.3	Very high	94.5	Very high	122 Å²	122	46.5 Å²	46.5	46%	0.46	25%	0.252	S	S	.	.			trans	-110.6	-0.9	172.3	62.5	179.2	-171.5	-151.1	0.6	112.4	S379 M380 E382 R383	R362-S379 WeakPolarHBondContact O-CA 3.27Å; R362-S379 WeakPolarHBondContact O-CB 3.38Å; R362-M380 HydrophobicContact CB-CB 4.21Å; R362-M380 VanDerWaalsContact CD-O 3.3Å; R362-M380 WeakPolarHBondContact CD-O 3.46Å; R362-M380 PolarHBondContact O-N 2.9Å; R362-E382 VanDerWaalsContact CB-O 3.23Å; R362-E382 WeakPolarHBondContact CB-O 3.32Å; R362-R383 HydrophobicContact CB-CG 4.21Å
363	T	98.4	Very high	94.3	Very high	52 Å²	52	51.9 Å²	51.9	32%	0.319	28%	0.278	S	S	.	.			trans	-70.3	147.1	-176	50.6	0	0	0	0	110.5	R337 G353 V361	R337-T363 PolarHBondContact NH2-O 3.46Å; R337-T363 PolarHBondContact NH2-OG1 2.87Å; G353-T363 PolarHBondContact N-O 2.85Å; V361-T363 WeakPolarHBondContact CG2-OG1 3.22Å
364	V	98.6	Very high	94.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.9	179.8	-173.7	0	0	0	0	107.6	Y350 A351 V352 I377 M380 W421	Y350-V364 HydrophobicContact CD1-CG1 4.36Å; A351-V364 WeakPolarHBondContact O-CA 3.3Å; V352-V364 HydrophobicContact CG1-CG2 4.1Å; V352-V364 HydrophobicContact CG2-CG1 4.06Å; V364-I377 HydrophobicContact CB-CD1 4.16Å; V364-I377 HydrophobicContact CB-CG1 3.81Å; V364-I377 HydrophobicContact CG1-CD1 3.77Å; V364-I377 HydrophobicContact CG1-CG1 3.85Å; V364-I377 PolarHBondContact O-N 2.84Å; V364-I377 VanDerWaalsContact O-N 3.08Å; V364-M380 HydrophobicContact CG2-CG 4.22Å; V364-W421 HydrophobicContact CG2-CZ2 3.79Å
365	D	98.6	Very high	94.2	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.3	175.8	-58.2	-57.9	0	0	0	108.7	P334 R337 A351 W374 T375 S376	P334-D365 HydrophobicContact CG-CB 4.48Å; R337-D365 IonicContact CZ-OD2 3Å; R337-D365 IonicContact NH1-OD2 3.54Å; R337-D365 PolarHBondContact NH1-OD2 2.75Å; R337-D365 IonicContact NH2-OD2 3.87Å; R337-D365 PolarHBondContact NH2-OD2 3.06Å; A351-D365 PolarHBondContact N-O 3.34Å; A351-D365 PolarHBondContact O-N 2.84Å; D365-W374 HydrophobicContact CB-CE3 3.75Å; D365-W374 HydrophobicContact CB-CZ3 4.25Å; D365-T375 CarbonylContact C-O 3.22Å; D365-T375 WeakPolarHBondContact CA-O 3.33Å; D365-S376 WeakPolarHBondContact OD1-CB 3.24Å; D365-S376 PolarHBondContact OD1-OG 2.96Å
366	V	98.4	Very high	94.2	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.9	-175.9	-176	0	0	0	0	108.7	H348 V349 Y350 W374 T375 I377	H348-V366 HydrophobicContact CB-CG1 3.51Å; V349-V366 CarbonylContact O-C 3.55Å; V349-V366 WeakPolarHBondContact O-CA 3.42Å; Y350-V366 HydrophobicContact CD1-CG1 4.49Å; Y350-V366 HydrophobicContact CD1-CG2 3.45Å; Y350-V366 VanDerWaalsContact CD1-CG2 3.45Å; Y350-V366 HydrophobicContact CD2-CG1 4.44Å; Y350-V366 HydrophobicContact CE1-CB 4.48Å; Y350-V366 HydrophobicContact CE1-CG1 4.2Å; Y350-V366 HydrophobicContact CE1-CG2 3.43Å; Y350-V366 VanDerWaalsContact CE1-CG2 3.43Å; Y350-V366 HydrophobicContact CE2-CG1 4.13Å; Y350-V366 HydrophobicContact CG-CG2 4.13Å; V366-W374 CarbonylContact O-C 3.48Å; V366-W374 WeakPolarHBondContact O-CA 3.23Å; V366-T375 PolarHBondContact N-O 2.85Å; V366-T375 PolarHBondContact O-N 3.26Å; V366-T375 PolarHBondContact O-OG1 3.34Å; V366-I377 HydrophobicContact CB-CG2 4.37Å; V366-I377 HydrophobicContact CG2-CB 4.34Å; V366-I377 HydrophobicContact CG2-CD1 3.69Å; V366-I377 HydrophobicContact CG2-CG1 3.81Å; V366-I377 HydrophobicContact CG2-CG2 3.62Å
367	Y	98.2	Very high	94.2	Very high	9 Å²	9	59 Å²	59	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.7	178.1	176.7	-109	0	0	0	110.6	I304 I330 A331 H348 V349 D372 Q373 W374 I583	I304-Y367 HydrophobicContact CD1-CD1 4.14Å; I304-Y367 HydrophobicContact CD1-CE1 3.7Å; I330-Y367 HydrophobicContact CD1-CE1 4.03Å; I330-Y367 HydrophobicContact CD1-CE2 4.37Å; A331-Y367 HydrophobicContact CB-CE2 4.2Å; H348-Y367 WeakPolarHBondContact CA-O 3.34Å; H348-Y367 WeakPolarHBondContact CB-O 3.18Å; V349-Y367 HydrophobicContact CB-CD1 4.38Å; V349-Y367 HydrophobicContact CG2-CD1 4.38Å; V349-Y367 PolarHBondContact N-O 2.92Å; V349-Y367 VanDerWaalsContact N-O 3.09Å; V349-Y367 PolarHBondContact O-N 2.79Å; Y367-D372 WeakPolarHBondContact CE2-OD1 3.28Å; Y367-D372 PolarHBondContact OH-OD1 2.82Å; Y367-Q373 WeakPolarHBondContact CA-O 3.44Å; Y367-W374 AromaticContact CD2-CD1 3.87Å; Y367-W374 HydrophobicContact CD2-CD2 4.08Å; Y367-W374 AromaticContact CD2-CE2 3.68Å; Y367-W374 HydrophobicContact CD2-CG 4.2Å; Y367-W374 HydrophobicContact CD2-CZ2 4.14Å; Y367-W374 AromaticContact CD2-NE1 3.53Å; Y367-W374 HydrophobicContact CG-CD2 4.36Å; Y367-W374 AromaticContact CG-CE2 3.97Å; Y367-W374 HydrophobicContact CG-CH2 4.41Å; Y367-W374 HydrophobicContact CG-CZ2 4.01Å; Y367-I583 HydrophobicContact CE1-CD1 4.33Å
368	D	88.9	Confident	94.5	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	106.8	170.3	-178.5	-20.8	0	0	0	108.2	V370 K371 D372 Q373	D368-V370 VanDerWaalsContact C-N 3.25Å; D368-V370 PolarHBondContact O-N 3.16Å; D368-V370 WeakPolarHBondContact OD1-CB 3.47Å; D368-V370 PolarHBondContact OD1-N 3.47Å; D368-K371 HydrophobicContact CB-CB 4.39Å; D368-K371 PolarHBondContact O-N 2.9Å; D368-K371 PolarHBondContact OD1-N 2.75Å; D368-K371 VanDerWaalsContact OD2-CD 3.29Å; D368-K371 WeakPolarHBondContact OD2-CD 3.29Å; D368-K371 WeakPolarHBondContact OD2-CE 3.42Å; D368-K371 WeakPolarHBondContact OD2-CG 3.29Å; D368-K371 IonicContact OD2-NZ 2.62Å; D368-K371 PolarHBondContact OD2-NZ 2.88Å; D368-D372 WeakPolarHBondContact O-CA 3.34Å; D368-D372 PolarHBondContact O-N 3.3Å; D368-Q373 PolarHBondContact N-O 2.78Å; D368-Q373 PolarHBondContact O-N 3.07Å
369	G	86.1	Confident	94.7	Very high	12 Å²	12	56.2 Å²	56.2	12%	0.124	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.1	-177.7	0	0	0	0	0	114.4	S586	G369-S586 PolarHBondContact O-OG 3.31Å
370	V	81	Confident	94.9	Very high	124 Å²	124	51 Å²	51	75%	0.752	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.2	175.5	-179.2	0	0	0	0	110.1	D368	D368-V370 VanDerWaalsContact C-N 3.25Å; D368-V370 PolarHBondContact O-N 3.16Å; D368-V370 WeakPolarHBondContact OD1-CB 3.47Å; D368-V370 PolarHBondContact OD1-N 3.47Å
371	K	82.1	Confident	94.9	Very high	133 Å²	133	52.8 Å²	52.8	58%	0.578	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.9	-178.8	-62.4	-178.9	-164.5	123.6	0	114.3	D368 Q373	D368-K371 HydrophobicContact CB-CB 4.39Å; D368-K371 PolarHBondContact O-N 2.9Å; D368-K371 PolarHBondContact OD1-N 2.75Å; D368-K371 VanDerWaalsContact OD2-CD 3.29Å; D368-K371 WeakPolarHBondContact OD2-CD 3.29Å; D368-K371 WeakPolarHBondContact OD2-CE 3.42Å; D368-K371 WeakPolarHBondContact OD2-CG 3.29Å; D368-K371 IonicContact OD2-NZ 2.62Å; D368-K371 PolarHBondContact OD2-NZ 2.88Å; K371-Q373 VanDerWaalsContact C-N 3.33Å; K371-Q373 HydrophobicContact CB-CB 4.27Å; K371-Q373 HydrophobicContact CB-CG 4.45Å; K371-Q373 WeakPolarHBondContact O-CG 3.19Å; K371-Q373 PolarHBondContact O-N 3.02Å
372	D	88.7	Confident	94.8	Very high	71 Å²	71	54.9 Å²	54.9	38%	0.38	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	52.8	-169.2	-172.9	31.7	0	0	0	111.6	A331 Y367 D368	A331-D372 WeakPolarHBondContact CB-O 3.32Å; A331-D372 WeakPolarHBondContact CB-OD1 3.43Å; A331-D372 PolarHBondContact N-OD1 3.5Å; Y367-D372 WeakPolarHBondContact CE2-OD1 3.28Å; Y367-D372 PolarHBondContact OH-OD1 2.82Å; D368-D372 WeakPolarHBondContact O-CA 3.34Å; D368-D372 PolarHBondContact O-N 3.3Å
373	Q	94.1	Very high	94.8	Very high	114 Å²	114	55.6 Å²	55.6	53%	0.533	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.7	-174.1	-78.3	178.6	31.3	0	0	113.6	Y367 D368 K371	Y367-Q373 WeakPolarHBondContact CA-O 3.44Å; D368-Q373 PolarHBondContact N-O 2.78Å; D368-Q373 PolarHBondContact O-N 3.07Å; K371-Q373 VanDerWaalsContact C-N 3.33Å; K371-Q373 HydrophobicContact CB-CB 4.27Å; K371-Q373 HydrophobicContact CB-CG 4.45Å; K371-Q373 WeakPolarHBondContact O-CG 3.19Å; K371-Q373 PolarHBondContact O-N 3.02Å
374	W	98.3	Very high	94.8	Very high	30 Å²	30	53.1 Å²	53.1	11%	0.114	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137	172.8	-69.6	89.8	0	0	0	111.6	V306 V317 A331 L333 P334 A351 D365 V366 Y367	V306-W374 HydrophobicContact CG1-CH2 3.7Å; V306-W374 HydrophobicContact CG1-CZ2 4.05Å; V306-W374 HydrophobicContact CG2-CH2 4.14Å; V306-W374 HydrophobicContact CG2-CZ2 4.36Å; V317-W374 HydrophobicContact CG1-CZ2 4.45Å; V317-W374 HydrophobicContact CG2-CZ2 3.91Å; A331-W374 PolarHBondContact O-NE1 2.72Å; L333-W374 HydrophobicContact CD2-CD2 3.95Å; L333-W374 HydrophobicContact CD2-CE3 3.83Å; L333-W374 HydrophobicContact CD2-CH2 3.64Å; L333-W374 HydrophobicContact CD2-CZ2 3.75Å; L333-W374 HydrophobicContact CD2-CZ3 3.67Å; L333-W374 HydrophobicContact CG-CZ2 4.27Å; P334-W374 HydrophobicContact CG-CB 3.69Å; P334-W374 HydrophobicContact CG-CG 4.47Å; A351-W374 HydrophobicContact CB-CH2 4.21Å; A351-W374 HydrophobicContact CB-CZ3 3.89Å; D365-W374 HydrophobicContact CB-CE3 3.75Å; D365-W374 HydrophobicContact CB-CZ3 4.25Å; V366-W374 CarbonylContact O-C 3.48Å; V366-W374 WeakPolarHBondContact O-CA 3.23Å; Y367-W374 AromaticContact CD2-CD1 3.87Å; Y367-W374 HydrophobicContact CD2-CD2 4.08Å; Y367-W374 AromaticContact CD2-CE2 3.68Å; Y367-W374 HydrophobicContact CD2-CG 4.2Å; Y367-W374 HydrophobicContact CD2-CZ2 4.14Å; Y367-W374 AromaticContact CD2-NE1 3.53Å; Y367-W374 HydrophobicContact CG-CD2 4.36Å; Y367-W374 AromaticContact CG-CE2 3.97Å; Y367-W374 HydrophobicContact CG-CH2 4.41Å; Y367-W374 HydrophobicContact CG-CZ2 4.01Å
375	T	97.1	Very high	94.8	Very high	79 Å²	79	53 Å²	53	49%	0.485	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.5	174.8	54.8	0	0	0	0	110.7	D365 V366	D365-T375 CarbonylContact C-O 3.22Å; D365-T375 WeakPolarHBondContact CA-O 3.33Å; V366-T375 PolarHBondContact N-O 2.85Å; V366-T375 PolarHBondContact O-N 3.26Å; V366-T375 PolarHBondContact O-OG1 3.34Å
376	S	97.8	Very high	94.8	Very high	89 Å²	89	53.4 Å²	53.4	62%	0.622	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.3	176	-58	0	0	0	0	110.5	D365	D365-S376 WeakPolarHBondContact OD1-CB 3.24Å; D365-S376 PolarHBondContact OD1-OG 2.96Å
377	I	96.9	Very high	94.8	Very high	39 Å²	39	53.7 Å²	53.7	20%	0.2	28%	0.283	C	S	.	.			trans	-115.3	-170.7	178.5	62.8	159.2	0	0	0	111.4	Y350 V364 V366 S379 Y414	Y350-I377 HydrophobicContact CD1-CD1 4.03Å; Y350-I377 HydrophobicContact CE1-CD1 3.84Å; V364-I377 HydrophobicContact CB-CD1 4.16Å; V364-I377 HydrophobicContact CB-CG1 3.81Å; V364-I377 HydrophobicContact CG1-CD1 3.77Å; V364-I377 HydrophobicContact CG1-CG1 3.85Å; V364-I377 PolarHBondContact O-N 2.84Å; V364-I377 VanDerWaalsContact O-N 3.08Å; V366-I377 HydrophobicContact CB-CG2 4.37Å; V366-I377 HydrophobicContact CG2-CB 4.34Å; V366-I377 HydrophobicContact CG2-CD1 3.69Å; V366-I377 HydrophobicContact CG2-CG1 3.81Å; V366-I377 HydrophobicContact CG2-CG2 3.62Å; I377-S379 PolarHBondContact O-N 2.83Å; I377-Y414 HydrophobicContact CD1-CE1 3.81Å; I377-Y414 HydrophobicContact CD1-CE2 4.03Å; I377-Y414 VanDerWaalsContact CD1-CZ 3.5Å; I377-Y414 WeakPolarHBondContact CD1-OH 3.27Å
378	A	97.8	Very high	94.8	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.1	131.6	174.6	0	0	0	0	0	111.2	Y414 N419 W421	A378-Y414 HydrophobicContact CB-CE2 4.39Å; A378-N419 WeakPolarHBondContact CB-O 3.34Å; A378-N419 WeakPolarHBondContact CB-OD1 3.4Å; A378-N419 PolarHBondContact N-OD1 3.18Å; A378-W421 PolarHBondContact O-NE1 3.05Å
379	S	98.4	Very high	95.3	Very high	51 Å²	51	53.3 Å²	53.3	36%	0.357	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-77.5	150.8	176.5	-67.7	0	0	0	0	111.2	R362 I377	R362-S379 WeakPolarHBondContact O-CA 3.27Å; R362-S379 WeakPolarHBondContact O-CB 3.38Å; I377-S379 PolarHBondContact O-N 2.83Å
380	M	98.5	Very high	95.9	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57.8	162	168.3	-64.7	-179.3	-64.5	0	0	111	V352 R362 V364 E382 R384 L387 A398 W421	V352-M380 HydrophobicContact CG1-CE 3.99Å; V352-M380 HydrophobicContact CG1-CG 4.38Å; V352-M380 HydrophobicContact CG1-SD 3.5Å; V352-M380 VanDerWaalsContact CG1-SD 3.5Å; R362-M380 HydrophobicContact CB-CB 4.21Å; R362-M380 VanDerWaalsContact CD-O 3.3Å; R362-M380 WeakPolarHBondContact CD-O 3.46Å; R362-M380 PolarHBondContact O-N 2.9Å; V364-M380 HydrophobicContact CG2-CG 4.22Å; M380-E382 WeakPolarHBondContact CB-O 3.48Å; M380-R384 HydrophobicContact CE-CB 3.98Å; M380-R384 HydrophobicContact CE-CG 4.12Å; M380-R384 HydrophobicContact SD-CG 4.33Å; M380-L387 HydrophobicContact SD-CD1 4.38Å; M380-A398 HydrophobicContact SD-CB 3.59Å; M380-A398 VanDerWaalsContact SD-CB 3.59Å; M380-W421 HydrophobicContact CB-CD2 4.34Å; M380-W421 HydrophobicContact CG-CD2 3.77Å; M380-W421 HydrophobicContact CG-CE3 3.8Å; M380-W421 HydrophobicContact CG-CH2 3.59Å; M380-W421 HydrophobicContact CG-CZ2 3.6Å; M380-W421 HydrophobicContact CG-CZ3 3.71Å; M380-W421 HydrophobicContact SD-CH2 4.03Å; M380-W421 HydrophobicContact SD-CZ3 4.16Å
381	Q	98	Very high	96.7	Very high	100 Å²	100	49.4 Å²	49.4	47%	0.467	26%	0.261	S	S	.	.	S	Bend	trans	-73.6	-41.2	175	-51.2	-167.5	27.2	0	0	110.4	E412 W421 F423	Q381-E412 WeakPolarHBondContact CA-OE2 3.27Å; Q381-E412 WeakPolarHBondContact CB-OE2 3.35Å; Q381-E412 WeakPolarHBondContact CG-OE2 3.25Å; Q381-E412 PolarHBondContact N-OE2 2.94Å; Q381-W421 HydrophobicContact CG-CB 4.44Å; Q381-W421 PolarHBondContact NE2-O 3.03Å; Q381-F423 HydrophobicContact CB-CE2 4.11Å; Q381-F423 HydrophobicContact CB-CZ 4Å; Q381-F423 HydrophobicContact CG-CE2 4.33Å
382	E	96.3	Very high	97.4	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.294	24%	0.235	S	C	.	.	S	Bend	trans	-102.8	152.6	178.5	-65.9	-175.9	151.7	0	0	113.1	R362 M380 R384 S410 E412 F423	R362-E382 VanDerWaalsContact CB-O 3.23Å; R362-E382 WeakPolarHBondContact CB-O 3.32Å; M380-E382 WeakPolarHBondContact CB-O 3.48Å; E382-R384 IonicContact OE2-CZ 2.89Å; E382-R384 IonicContact OE2-NH1 3.96Å; E382-R384 IonicContact OE2-NH2 2.9Å; E382-R384 PolarHBondContact OE2-NH2 3.07Å; E382-S410 WeakPolarHBondContact OE2-CB 3.29Å; E382-S410 PolarHBondContact OE2-OG 3.2Å; E382-E412 PolarHBondContact N-OE1 3.1Å; E382-F423 HydrophobicContact CG-CE1 4.37Å; E382-F423 HydrophobicContact CG-CZ 4.03Å
383	R	98.1	Very high	97.5	Very high	137 Å²	137	45.1 Å²	45.1	52%	0.517	24%	0.244	S	C	.	.			trans	-77.5	131.9	169.3	-64.5	168.5	-176.4	160.7	2.3	108	R360 R362 D403	R360-R383 HydrophobicContact CB-CB 4.34Å; R360-R383 WeakPolarHBondContact O-CD 3.42Å; R362-R383 HydrophobicContact CB-CG 4.21Å; R383-D403 VanDerWaalsContact O-CA 3.28Å; R383-D403 WeakPolarHBondContact O-CA 3.21Å; R383-D403 WeakPolarHBondContact O-CB 3.32Å
384	R	98.4	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.			trans	-136.8	125.6	-178.2	-57.1	-177	-178.5	-81.5	-15.3	109.9	G354 V361 M380 E382 L387 G400 L408 S410 E412	G354-R384 PolarHBondContact N-O 2.86Å; V361-R384 PolarHBondContact O-N 3.45Å; V361-R384 VanDerWaalsContact O-N 3.17Å; M380-R384 HydrophobicContact CE-CB 3.98Å; M380-R384 HydrophobicContact CE-CG 4.12Å; M380-R384 HydrophobicContact SD-CG 4.33Å; E382-R384 IonicContact OE2-CZ 2.89Å; E382-R384 IonicContact OE2-NH1 3.96Å; E382-R384 IonicContact OE2-NH2 2.9Å; E382-R384 PolarHBondContact OE2-NH2 3.07Å; R384-L387 HydrophobicContact CB-CB 4.16Å; R384-L387 HydrophobicContact CB-CD1 3.88Å; R384-L387 HydrophobicContact CB-CD2 4.24Å; R384-L387 HydrophobicContact CB-CG 4.32Å; R384-G400 PolarHBondContact NH1-O 2.79Å; R384-L408 HydrophobicContact CG-CD1 3.89Å; R384-S410 PolarHBondContact NH1-O 2.9Å; R384-S410 PolarHBondContact NH1-OG 3.37Å; R384-S410 VanDerWaalsContact NH1-OG 3.16Å; R384-S410 PolarHBondContact NH2-OG 3.3Å; R384-E412 IonicContact CZ-OE1 2.68Å; R384-E412 IonicContact NE-OE1 3Å; R384-E412 PolarHBondContact NE-OE1 2.76Å; R384-E412 VanDerWaalsContact NH2-CG 3.33Å; R384-E412 IonicContact NH2-OE1 3.63Å; R384-E412 PolarHBondContact NH2-OE1 2.57Å
385	S	98.5	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-123.4	153	165.1	64.6	0	0	0	0	109.8	R360 L387 G401 F402	R360-S385 WeakPolarHBondContact CD-OG 3.14Å; S385-L387 PolarHBondContact O-N 3.16Å; S385-G401 CarbonylContact O-C 3.47Å; S385-G401 VanDerWaalsContact O-CA 3.23Å; S385-G401 WeakPolarHBondContact O-CA 3.33Å; S385-F402 PolarHBondContact N-O 3.07Å; S385-F402 PolarHBondContact O-N 2.81Å; S385-F402 PolarHBondContact OG-O 2.79Å
386	T	98.3	Very high	97.3	Very high	12 Å²	12	40.7 Å²	40.7	7%	0.074	22%	0.223	C	C	.	.	S	Bend	trans	55	30.9	-175.7	66.5	0	0	0	0	112.9	R339 S433 V434 Y577	R339-T386 HydrophobicContact CB-CG2 3.81Å; R339-T386 HydrophobicContact CG-CG2 3.91Å; R339-T386 PolarHBondContact O-N 3.22Å; T386-S433 VanDerWaalsContact O-CA 3.32Å; T386-S433 WeakPolarHBondContact O-CA 3.38Å; T386-S433 PolarHBondContact O-N 2.75Å; T386-S433 PolarHBondContact OG1-N 2.88Å; T386-V434 PolarHBondContact O-N 3.1Å; T386-Y577 HydrophobicContact CG2-CD1 4.38Å; T386-Y577 HydrophobicContact CG2-CE1 3.94Å
387	L	98.7	Very high	97.3	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.058	20%	0.195	C	C	.	.			trans	-78.3	160.8	171.6	72.3	167.8	0	0	0	110.7	V352 M380 R384 S385 A398	V352-L387 HydrophobicContact CG1-CD1 4.15Å; M380-L387 HydrophobicContact SD-CD1 4.38Å; R384-L387 HydrophobicContact CB-CB 4.16Å; R384-L387 HydrophobicContact CB-CD1 3.88Å; R384-L387 HydrophobicContact CB-CD2 4.24Å; R384-L387 HydrophobicContact CB-CG 4.32Å; S385-L387 PolarHBondContact O-N 3.16Å; L387-A398 HydrophobicContact CD1-CB 3.79Å
388	G	98.6	Very high	97.4	Very high	6 Å²	6	34.9 Å²	34.9	6%	0.062	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	148.6	159.2	0	0	0	0	0	110.5	V399	G388-V399 PolarHBondContact N-O 3.03Å; G388-V399 VanDerWaalsContact N-O 3.1Å; G388-V399 PolarHBondContact O-N 3.11Å
389	A	98.7	Very high	97.5	Very high	17 Å²	17	33.6 Å²	33.6	14%	0.14	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.9	168.7	0	0	0	0	0	109.8	V343 Y397	V343-A389 HydrophobicContact CG1-CB 3.71Å; V343-A389 VanDerWaalsContact CG1-O 3.27Å; V343-A389 WeakPolarHBondContact CG1-O 3.35Å; A389-Y397 VanDerWaalsContact CA-O 3.24Å; A389-Y397 WeakPolarHBondContact CA-O 3.35Å
390	A	98.6	Very high	97.5	Very high	9 Å²	9	31.1 Å²	31.1	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.9	175.1	0	0	0	0	0	111.2	Y397 V436 V438 L443	A390-Y397 PolarHBondContact N-O 2.62Å; A390-Y397 PolarHBondContact O-N 3.36Å; A390-V436 HydrophobicContact CB-CG1 3.64Å; A390-V438 HydrophobicContact CB-CG2 3.8Å; A390-L443 HydrophobicContact CB-CD1 3.62Å
391	V	98.5	Very high	97.5	Very high	45 Å²	45	31 Å²	31	27%	0.273	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.4	-180	-179.8	0	0	0	0	109.5	V343 M345 L395	V343-V391 HydrophobicContact CB-CG2 3.97Å; V343-V391 HydrophobicContact CG2-CG2 3.94Å; M345-V391 HydrophobicContact CB-CG2 3.94Å; M345-V391 HydrophobicContact CE-CB 4.35Å; M345-V391 HydrophobicContact CE-CG1 3.59Å; M345-V391 HydrophobicContact CE-CG2 4Å; M345-V391 HydrophobicContact CG-CG1 4.27Å; M345-V391 HydrophobicContact CG-CG2 4.48Å; V391-L395 WeakPolarHBondContact CA-O 3.35Å
392	L	97	Very high	97.5	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	125.4	177.4	171	62.1	0	0	0	109.3	D394 L395 Y397 V438 G441 L443 P465	L392-D394 PolarHBondContact O-N 3.22Å; L392-L395 PolarHBondContact N-O 2.79Å; L392-L395 PolarHBondContact O-N 2.84Å; L392-Y397 HydrophobicContact CB-CD2 4.09Å; L392-Y397 HydrophobicContact CB-CE2 3.74Å; L392-Y397 HydrophobicContact CD2-CE2 4.46Å; L392-Y397 HydrophobicContact CG-CE2 4.34Å; L392-Y397 WeakPolarHBondContact O-CE2 3.33Å; L392-V438 HydrophobicContact CB-CG1 4.31Å; L392-V438 HydrophobicContact CB-CG2 4.16Å; L392-V438 HydrophobicContact CD1-CG1 3.82Å; L392-G441 WeakPolarHBondContact CD1-O 3.38Å; L392-L443 HydrophobicContact CD2-CB 3.93Å; L392-P465 HydrophobicContact CD2-CB 4.37Å; L392-P465 HydrophobicContact CD2-CG 3.89Å; L392-P465 HydrophobicContact CG-CG 4.47Å
393	N	90.5	Very high	97.5	Very high	109 Å²	109	28.1 Å²	28.1	58%	0.583	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	53.6	178.7	-56.6	-19.5	0	0	0	112.8	L395	N393-L395 PolarHBondContact O-N 2.94Å; N393-L395 VanDerWaalsContact O-N 3.07Å
394	D	90	Very high	97.4	Very high	92 Å²	92	23.4 Å²	23.4	49%	0.492	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	10.4	-178.1	-68.1	-20.9	0	0	0	116.2	M345 L392 Y416 K417	M345-D394 WeakPolarHBondContact CE-O 3.19Å; L392-D394 PolarHBondContact O-N 3.22Å; D394-Y416 HydrophobicContact CB-CE1 4.14Å; D394-K417 IonicContact OD2-NZ 2.73Å
395	L	96.1	Very high	97.2	Very high	38 Å²	38	28.3 Å²	28.3	20%	0.199	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.7	177	-62.5	173.3	0	0	0	111.2	V391 L392 N393 Y397 Y414 F422	V391-L395 WeakPolarHBondContact CA-O 3.35Å; L392-L395 PolarHBondContact N-O 2.79Å; L392-L395 PolarHBondContact O-N 2.84Å; N393-L395 PolarHBondContact O-N 2.94Å; N393-L395 VanDerWaalsContact O-N 3.07Å; L395-Y397 HydrophobicContact CB-CD2 4.33Å; L395-Y397 HydrophobicContact CB-CE2 3.66Å; L395-Y397 WeakPolarHBondContact O-CD2 3.34Å; L395-Y414 WeakPolarHBondContact CA-O 3.36Å; L395-Y414 WeakPolarHBondContact CD2-O 3.31Å; L395-F422 HydrophobicContact CD1-CZ 4.04Å; L395-F422 HydrophobicContact CD2-CE1 4.42Å; L395-F422 HydrophobicContact CD2-CZ 4.34Å
396	L	98.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.6	176.9	178.1	170.5	0	0	0	107.1	V343 M345 Y350 V352 A413 Y414 W421	V343-L396 HydrophobicContact CG2-CD1 3.61Å; V343-L396 HydrophobicContact CG2-CG 3.87Å; M345-L396 HydrophobicContact CE-CB 3.59Å; M345-L396 HydrophobicContact SD-CB 4.37Å; Y350-L396 HydrophobicContact CD1-CD1 3.72Å; Y350-L396 HydrophobicContact CD2-CD1 4.47Å; Y350-L396 HydrophobicContact CG-CD1 3.7Å; V352-L396 HydrophobicContact CG1-CD2 4.47Å; V352-L396 HydrophobicContact CG2-CD1 3.84Å; V352-L396 HydrophobicContact CG2-CD2 4.05Å; L396-A413 CarbonylContact O-C 3.43Å; L396-A413 VanDerWaalsContact O-CA 3.29Å; L396-A413 WeakPolarHBondContact O-CA 3.14Å; L396-Y414 HydrophobicContact CB-CD1 4.39Å; L396-Y414 PolarHBondContact N-O 3.47Å; L396-Y414 PolarHBondContact O-N 3.27Å; L396-W421 HydrophobicContact CD2-CH2 3.49Å; L396-W421 VanDerWaalsContact CD2-CH2 3.49Å; L396-W421 HydrophobicContact CD2-CZ2 4.41Å; L396-W421 HydrophobicContact CD2-CZ3 4.08Å
397	Y	98.9	Very high	97	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.1	179.9	-69.5	-99.7	0	0	0	110.5	A389 A390 L392 L395 V411 E412 A413 V424 L443 Y463	A389-Y397 VanDerWaalsContact CA-O 3.24Å; A389-Y397 WeakPolarHBondContact CA-O 3.35Å; A390-Y397 PolarHBondContact N-O 2.62Å; A390-Y397 PolarHBondContact O-N 3.36Å; L392-Y397 HydrophobicContact CB-CD2 4.09Å; L392-Y397 HydrophobicContact CB-CE2 3.74Å; L392-Y397 HydrophobicContact CD2-CE2 4.46Å; L392-Y397 HydrophobicContact CG-CE2 4.34Å; L392-Y397 WeakPolarHBondContact O-CE2 3.33Å; L395-Y397 HydrophobicContact CB-CD2 4.33Å; L395-Y397 HydrophobicContact CB-CE2 3.66Å; L395-Y397 WeakPolarHBondContact O-CD2 3.34Å; Y397-V411 HydrophobicContact CD1-CG1 4.18Å; Y397-E412 CarbonylContact C-O 3.59Å; Y397-E412 WeakPolarHBondContact CA-O 3.44Å; Y397-A413 HydrophobicContact CD1-CB 4.05Å; Y397-A413 HydrophobicContact CE1-CB 3.9Å; Y397-V424 HydrophobicContact CD1-CG2 4.33Å; Y397-V424 HydrophobicContact CE1-CG1 4.28Å; Y397-V424 HydrophobicContact CE1-CG2 4.25Å; Y397-L443 HydrophobicContact CD1-CD2 4.02Å; Y397-L443 HydrophobicContact CG-CD2 3.93Å; Y397-Y463 HydrophobicContact CE1-CD1 4.37Å; Y397-Y463 AromaticContact CE1-CE1 3.68Å; Y397-Y463 HydrophobicContact CE1-CE1 3.68Å
398	A	98.9	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.5	169.4	0	0	0	0	0	109.1	V352 M380 L387 V411 E412 W421	V352-A398 HydrophobicContact CG1-CB 4.33Å; M380-A398 HydrophobicContact SD-CB 3.59Å; M380-A398 VanDerWaalsContact SD-CB 3.59Å; L387-A398 HydrophobicContact CD1-CB 3.79Å; A398-V411 WeakPolarHBondContact O-CA 3.32Å; A398-E412 PolarHBondContact N-O 3Å; A398-E412 PolarHBondContact O-N 2.77Å; A398-E412 VanDerWaalsContact O-N 3.11Å; A398-W421 HydrophobicContact CB-CH2 4.16Å; A398-W421 HydrophobicContact CB-CZ3 3.73Å
399	V	98.9	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.7	-166.5	-174.7	0	0	0	0	110.7	G388 V411 M427 V434 V436 L443 A445 W470	G388-V399 PolarHBondContact N-O 3.03Å; G388-V399 VanDerWaalsContact N-O 3.1Å; G388-V399 PolarHBondContact O-N 3.11Å; V399-V411 HydrophobicContact CG1-CG2 4.09Å; V399-V411 HydrophobicContact CG2-CG1 4.03Å; V399-M427 HydrophobicContact CG1-CE 3.84Å; V399-M427 HydrophobicContact CG1-SD 3.51Å; V399-M427 VanDerWaalsContact CG1-SD 3.51Å; V399-V434 WeakPolarHBondContact O-CG1 3.45Å; V399-V436 HydrophobicContact CB-CG2 3.91Å; V399-V436 HydrophobicContact CG1-CG2 4.09Å; V399-V436 HydrophobicContact CG2-CG1 4.27Å; V399-V436 HydrophobicContact CG2-CG2 4.14Å; V399-L443 HydrophobicContact CG2-CD2 3.92Å; V399-A445 HydrophobicContact CG1-CB 4.2Å; V399-W470 HydrophobicContact CG1-CH2 4.09Å; V399-W470 HydrophobicContact CG1-CZ2 4.33Å
400	G	98.6	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.			trans	62.3	-136	174.3	0	0	0	0	0	113.5	R384 L408 S410	R384-G400 PolarHBondContact NH1-O 2.79Å; G400-L408 WeakPolarHBondContact CA-O 3.32Å; G400-S410 PolarHBondContact N-O 2.71Å; G400-S410 VanDerWaalsContact N-O 3.1Å
401	G	98.5	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.199	C	C	.	.			trans	100.7	-158	-177.3	0	0	0	0	0	113.6	S385 G407 L408 R431	S385-G401 CarbonylContact O-C 3.47Å; S385-G401 VanDerWaalsContact O-CA 3.23Å; S385-G401 WeakPolarHBondContact O-CA 3.33Å; G401-G407 WeakPolarHBondContact O-CA 3.48Å; G401-L408 PolarHBondContact O-N 2.68Å; G401-R431 PolarHBondContact N-O 3.48Å
402	F	98.4	Very high	97	Very high	56 Å²	56	30.4 Å²	30.4	25%	0.246	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-138.8	125.1	-177.9	179.9	-108	0	0	0	110.1	S385 G404 T406	S385-F402 PolarHBondContact N-O 3.07Å; S385-F402 PolarHBondContact O-N 2.81Å; S385-F402 PolarHBondContact OG-O 2.79Å; F402-G404 VanDerWaalsContact CE1-C 3.48Å; F402-G404 WeakPolarHBondContact CZ-O 3.33Å; F402-T406 VanDerWaalsContact CD2-C 3.44Å; F402-T406 WeakPolarHBondContact CD2-O 3.45Å
403	D	97.1	Very high	97.1	Very high	47 Å²	47	30.1 Å²	30.1	25%	0.251	19%	0.185	S	C	.	.			trans	-86.3	-9.5	-174.3	67.9	-3.3	0	0	0	114.2	R383 S405 T406 L408	R383-D403 VanDerWaalsContact O-CA 3.28Å; R383-D403 WeakPolarHBondContact O-CA 3.21Å; R383-D403 WeakPolarHBondContact O-CB 3.32Å; D403-S405 WeakPolarHBondContact OD1-CA 3.38Å; D403-S405 PolarHBondContact OD1-N 3.07Å; D403-T406 PolarHBondContact N-O 3.07Å; D403-T406 PolarHBondContact OD1-N 3.42Å; D403-T406 VanDerWaalsContact OD1-O 3.1Å; D403-L408 HydrophobicContact CB-CD1 4.24Å; D403-L408 HydrophobicContact CB-CD2 4.25Å; D403-L408 HydrophobicContact CB-CG 4.46Å
404	G	95.1	Very high	97.5	Very high	38 Å²	38	25.2 Å²	25.2	39%	0.392	16%	0.158	S	C	.	.	S	Bend	trans	116.1	-19.8	-172.5	0	0	0	0	0	113.6	F402	F402-G404 VanDerWaalsContact CE1-C 3.48Å; F402-G404 WeakPolarHBondContact CZ-O 3.33Å
405	S	94.7	Very high	97.8	Very high	103 Å²	103	21.7 Å²	21.7	72%	0.72	14%	0.141	S	C	*	.	S	Bend	trans	-123.4	-46.4	-178.4	-51	0	0	0	0	111.9	D403	D403-S405 WeakPolarHBondContact OD1-CA 3.38Å; D403-S405 PolarHBondContact OD1-N 3.07Å
406	T	95.9	Very high	97.7	Very high	77 Å²	77	23.8 Å²	23.8	47%	0.472	15%	0.147	S	C	.	.	S	Bend	trans	-134.9	151.1	-173.9	65.9	0	0	0	0	112.4	F402 D403	F402-T406 VanDerWaalsContact CD2-C 3.44Å; F402-T406 WeakPolarHBondContact CD2-O 3.45Å; D403-T406 PolarHBondContact N-O 3.07Å; D403-T406 PolarHBondContact OD1-N 3.42Å; D403-T406 VanDerWaalsContact OD1-O 3.1Å
407	G	97.1	Very high	97.3	Very high	9 Å²	9	30.7 Å²	30.7	9%	0.093	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-73.1	138.9	168	0	0	0	0	0	110.1	G401 R430	G401-G407 WeakPolarHBondContact O-CA 3.48Å; G407-R430 WeakPolarHBondContact O-CD 3.48Å
408	L	98.4	Very high	97	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.058	20%	0.2	C	C	.	.			trans	-99.3	138.8	-172.4	-59.3	175.6	0	0	0	111.6	R384 G400 G401 D403 R430 R431	R384-L408 HydrophobicContact CG-CD1 3.89Å; G400-L408 WeakPolarHBondContact CA-O 3.32Å; G401-L408 PolarHBondContact O-N 2.68Å; D403-L408 HydrophobicContact CB-CD1 4.24Å; D403-L408 HydrophobicContact CB-CD2 4.25Å; D403-L408 HydrophobicContact CB-CG 4.46Å; L408-R430 WeakPolarHBondContact O-CA 3.38Å; L408-R431 PolarHBondContact O-N 3.23Å
409	A	98.5	Very high	96.8	Very high	25 Å²	25	37.9 Å²	37.9	21%	0.207	22%	0.219	C	C	.	.			trans	-101.8	-16.2	164.2	0	0	0	0	0	111.9	P426 M427 R430	A409-P426 CarbonylContact O-C 3.54Å; A409-P426 WeakPolarHBondContact O-CA 3.41Å; A409-P426 WeakPolarHBondContact O-CB 3.45Å; A409-M427 PolarHBondContact O-N 3.27Å; A409-R430 HydrophobicContact CB-CB 4.05Å
410	S	98.8	Very high	96.7	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	25%	0.246	C	C	.	.			trans	-60	147.2	178.4	52.3	0	0	0	0	111.4	E382 R384 G400	E382-S410 WeakPolarHBondContact OE2-CB 3.29Å; E382-S410 PolarHBondContact OE2-OG 3.2Å; R384-S410 PolarHBondContact NH1-O 2.9Å; R384-S410 PolarHBondContact NH1-OG 3.37Å; R384-S410 VanDerWaalsContact NH1-OG 3.16Å; R384-S410 PolarHBondContact NH2-OG 3.3Å; G400-S410 PolarHBondContact N-O 2.71Å; G400-S410 VanDerWaalsContact N-O 3.1Å
411	V	98.9	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.1	177.2	-175.6	0	0	0	0	108.2	Y397 A398 V399 V424 M427 W470	Y397-V411 HydrophobicContact CD1-CG1 4.18Å; A398-V411 WeakPolarHBondContact O-CA 3.32Å; V399-V411 HydrophobicContact CG1-CG2 4.09Å; V399-V411 HydrophobicContact CG2-CG1 4.03Å; V411-V424 HydrophobicContact CB-CG2 3.68Å; V411-V424 HydrophobicContact CG1-CG2 3.56Å; V411-V424 PolarHBondContact O-N 2.94Å; V411-M427 HydrophobicContact CG2-CE 4.47Å; V411-M427 HydrophobicContact CG2-CG 4.12Å; V411-W470 HydrophobicContact CG1-CZ2 4.43Å; V411-W470 HydrophobicContact CG2-CZ2 3.86Å
412	E	98.6	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	177.6	-52.8	175.6	-104.8	0	0	109	Q381 E382 R384 Y397 A398 W421 F422 F423	Q381-E412 WeakPolarHBondContact CA-OE2 3.27Å; Q381-E412 WeakPolarHBondContact CB-OE2 3.35Å; Q381-E412 WeakPolarHBondContact CG-OE2 3.25Å; Q381-E412 PolarHBondContact N-OE2 2.94Å; E382-E412 PolarHBondContact N-OE1 3.1Å; R384-E412 IonicContact CZ-OE1 2.68Å; R384-E412 IonicContact NE-OE1 3Å; R384-E412 PolarHBondContact NE-OE1 2.76Å; R384-E412 VanDerWaalsContact NH2-CG 3.33Å; R384-E412 IonicContact NH2-OE1 3.63Å; R384-E412 PolarHBondContact NH2-OE1 2.57Å; Y397-E412 CarbonylContact C-O 3.59Å; Y397-E412 WeakPolarHBondContact CA-O 3.44Å; A398-E412 PolarHBondContact N-O 3Å; A398-E412 PolarHBondContact O-N 2.77Å; A398-E412 VanDerWaalsContact O-N 3.11Å; E412-W421 HydrophobicContact CB-CE3 3.74Å; E412-W421 HydrophobicContact CB-CZ3 4.16Å; E412-F422 CarbonylContact C-O 3.54Å; E412-F422 WeakPolarHBondContact CA-O 3.48Å; E412-F423 HydrophobicContact CG-CD1 3.58Å; E412-F423 HydrophobicContact CG-CE1 3.47Å; E412-F423 VanDerWaalsContact CG-CE1 3.47Å; E412-F423 HydrophobicContact CG-CG 4.44Å; E412-F423 HydrophobicContact CG-CZ 4.28Å
413	A	98.8	Very high	96.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.7	172	0	0	0	0	0	110.2	L396 Y397 W421 F422 V424	L396-A413 CarbonylContact O-C 3.43Å; L396-A413 VanDerWaalsContact O-CA 3.29Å; L396-A413 WeakPolarHBondContact O-CA 3.14Å; Y397-A413 HydrophobicContact CD1-CB 4.05Å; Y397-A413 HydrophobicContact CE1-CB 3.9Å; A413-W421 WeakPolarHBondContact O-CA 3.45Å; A413-F422 HydrophobicContact CB-CD2 4.37Å; A413-F422 HydrophobicContact CB-CE1 4.19Å; A413-F422 HydrophobicContact CB-CE2 3.79Å; A413-F422 HydrophobicContact CB-CZ 3.69Å; A413-F422 PolarHBondContact N-O 3.31Å; A413-F422 WeakPolarHBondContact O-CD1 3.32Å; A413-F422 PolarHBondContact O-N 3.32Å; A413-V424 HydrophobicContact CB-CG1 3.99Å
414	Y	98.8	Very high	96.8	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.1	176.5	173.2	-104	0	0	0	110.9	Y350 I377 A378 L395 L396 Y416 N419 E420 W421	Y350-Y414 HydrophobicContact CE1-CD1 4.43Å; Y350-Y414 AromaticContact CE1-CE1 3.88Å; Y350-Y414 HydrophobicContact CE1-CE1 3.88Å; I377-Y414 HydrophobicContact CD1-CE1 3.81Å; I377-Y414 HydrophobicContact CD1-CE2 4.03Å; I377-Y414 VanDerWaalsContact CD1-CZ 3.5Å; I377-Y414 WeakPolarHBondContact CD1-OH 3.27Å; A378-Y414 HydrophobicContact CB-CE2 4.39Å; L395-Y414 WeakPolarHBondContact CA-O 3.36Å; L395-Y414 WeakPolarHBondContact CD2-O 3.31Å; L396-Y414 HydrophobicContact CB-CD1 4.39Å; L396-Y414 PolarHBondContact N-O 3.47Å; L396-Y414 PolarHBondContact O-N 3.27Å; Y414-Y416 VanDerWaalsContact CE1-CA 3.5Å; Y414-N419 PolarHBondContact OH-OD1 3.26Å; Y414-E420 WeakPolarHBondContact CA-O 3.23Å; Y414-E420 WeakPolarHBondContact CD2-O 3.46Å; Y414-W421 AromaticContact CD2-CD1 3.66Å; Y414-W421 HydrophobicContact CD2-CD2 4.02Å; Y414-W421 AromaticContact CD2-CE2 3.6Å; Y414-W421 HydrophobicContact CD2-CG 4.05Å; Y414-W421 HydrophobicContact CD2-CZ2 4.13Å; Y414-W421 AromaticContact CD2-NE1 3.37Å; Y414-W421 AromaticContact CE2-NE1 3.96Å; Y414-W421 HydrophobicContact CG-CD2 4.26Å; Y414-W421 AromaticContact CG-CE2 3.83Å; Y414-W421 HydrophobicContact CG-CH2 4.48Å; Y414-W421 AromaticContact CG-CZ2 3.92Å; Y414-W421 HydrophobicContact CG-CZ2 3.92Å
415	S	96.4	Very high	97	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.2	171.2	168.3	0	0	0	0	109.5	K417 T418 N419 E420	S415-K417 PolarHBondContact O-N 3.14Å; S415-K417 PolarHBondContact OG-N 3.11Å; S415-T418 WeakPolarHBondContact CB-OG1 3.49Å; S415-T418 PolarHBondContact O-N 3.02Å; S415-T418 PolarHBondContact OG-N 3.31Å; S415-T418 PolarHBondContact OG-OG1 3.28Å; S415-N419 WeakPolarHBondContact O-CA 3.5Å; S415-N419 PolarHBondContact O-N 3.26Å; S415-E420 PolarHBondContact N-O 2.83Å; S415-E420 VanDerWaalsContact N-O 3.11Å; S415-E420 PolarHBondContact O-N 3.43Å
416	Y	92.9	Very high	97.2	Very high	81 Å²	81	47.1 Å²	47.1	32%	0.318	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.3	175.9	72.4	-90.4	0	0	0	112.6	M345 A346 D394 Y414	M345-Y416 HydrophobicContact SD-CD1 3.68Å; M345-Y416 HydrophobicContact SD-CE1 4.37Å; M345-Y416 HydrophobicContact SD-CG 4.42Å; A346-Y416 HydrophobicContact CB-CE1 4.44Å; A346-Y416 HydrophobicContact CB-CE2 4.45Å; D394-Y416 HydrophobicContact CB-CE1 4.14Å; Y414-Y416 VanDerWaalsContact CE1-CA 3.5Å
417	K	91.4	Very high	97.3	Very high	145 Å²	145	43.8 Å²	43.8	63%	0.63	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-34.5	178.7	-63.4	178.6	-176.6	169.9	0	112.3	D394 S415	D394-K417 IonicContact OD2-NZ 2.73Å; S415-K417 PolarHBondContact O-N 3.14Å; S415-K417 PolarHBondContact OG-N 3.11Å
418	T	92.6	Very high	97.4	Very high	83 Å²	83	47.9 Å²	47.9	51%	0.509	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-12.2	179.7	57.2	0	0	0	0	112.9	S415 E420	S415-T418 WeakPolarHBondContact CB-OG1 3.49Å; S415-T418 PolarHBondContact O-N 3.02Å; S415-T418 PolarHBondContact OG-N 3.31Å; S415-T418 PolarHBondContact OG-OG1 3.28Å; T418-E420 VanDerWaalsContact C-N 3.29Å; T418-E420 PolarHBondContact O-N 3.2Å
419	N	94.4	Very high	97.4	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	41	-172.9	-169.5	36.4	0	0	0	112.9	A378 Y414 S415	A378-N419 WeakPolarHBondContact CB-O 3.34Å; A378-N419 WeakPolarHBondContact CB-OD1 3.4Å; A378-N419 PolarHBondContact N-OD1 3.18Å; Y414-N419 PolarHBondContact OH-OD1 3.26Å; S415-N419 WeakPolarHBondContact O-CA 3.5Å; S415-N419 PolarHBondContact O-N 3.26Å
420	E	97.3	Very high	97.3	Very high	125 Å²	125	52.1 Å²	52.1	58%	0.584	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.5	-176.3	-71.1	-177.2	154.1	0	0	112.6	Y414 S415 T418	Y414-E420 WeakPolarHBondContact CA-O 3.23Å; Y414-E420 WeakPolarHBondContact CD2-O 3.46Å; S415-E420 PolarHBondContact N-O 2.83Å; S415-E420 VanDerWaalsContact N-O 3.11Å; S415-E420 PolarHBondContact O-N 3.43Å; T418-E420 VanDerWaalsContact C-N 3.29Å; T418-E420 PolarHBondContact O-N 3.2Å
421	W	98.7	Very high	97.3	Very high	20 Å²	20	51.1 Å²	51.1	8%	0.076	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.7	173.9	-72.4	88.9	0	0	0	110.3	V352 V364 A378 M380 Q381 L396 A398 E412 A413 Y414	V352-W421 HydrophobicContact CG1-CH2 3.86Å; V352-W421 HydrophobicContact CG1-CZ2 4.35Å; V364-W421 HydrophobicContact CG2-CZ2 3.79Å; A378-W421 PolarHBondContact O-NE1 3.05Å; M380-W421 HydrophobicContact CB-CD2 4.34Å; M380-W421 HydrophobicContact CG-CD2 3.77Å; M380-W421 HydrophobicContact CG-CE3 3.8Å; M380-W421 HydrophobicContact CG-CH2 3.59Å; M380-W421 HydrophobicContact CG-CZ2 3.6Å; M380-W421 HydrophobicContact CG-CZ3 3.71Å; M380-W421 HydrophobicContact SD-CH2 4.03Å; M380-W421 HydrophobicContact SD-CZ3 4.16Å; Q381-W421 HydrophobicContact CG-CB 4.44Å; Q381-W421 PolarHBondContact NE2-O 3.03Å; L396-W421 HydrophobicContact CD2-CH2 3.49Å; L396-W421 VanDerWaalsContact CD2-CH2 3.49Å; L396-W421 HydrophobicContact CD2-CZ2 4.41Å; L396-W421 HydrophobicContact CD2-CZ3 4.08Å; A398-W421 HydrophobicContact CB-CH2 4.16Å; A398-W421 HydrophobicContact CB-CZ3 3.73Å; E412-W421 HydrophobicContact CB-CE3 3.74Å; E412-W421 HydrophobicContact CB-CZ3 4.16Å; A413-W421 WeakPolarHBondContact O-CA 3.45Å; Y414-W421 AromaticContact CD2-CD1 3.66Å; Y414-W421 HydrophobicContact CD2-CD2 4.02Å; Y414-W421 AromaticContact CD2-CE2 3.6Å; Y414-W421 HydrophobicContact CD2-CG 4.05Å; Y414-W421 HydrophobicContact CD2-CZ2 4.13Å; Y414-W421 AromaticContact CD2-NE1 3.37Å; Y414-W421 AromaticContact CE2-NE1 3.96Å; Y414-W421 HydrophobicContact CG-CD2 4.26Å; Y414-W421 AromaticContact CG-CE2 3.83Å; Y414-W421 HydrophobicContact CG-CH2 4.48Å; Y414-W421 AromaticContact CG-CZ2 3.92Å; Y414-W421 HydrophobicContact CG-CZ2 3.92Å
422	F	98.5	Very high	97.3	Very high	87 Å²	87	51.8 Å²	51.8	38%	0.382	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150	175.5	59	-87.2	0	0	0	111.1	L395 E412 A413 V424	L395-F422 HydrophobicContact CD1-CZ 4.04Å; L395-F422 HydrophobicContact CD2-CE1 4.42Å; L395-F422 HydrophobicContact CD2-CZ 4.34Å; E412-F422 CarbonylContact C-O 3.54Å; E412-F422 WeakPolarHBondContact CA-O 3.48Å; A413-F422 HydrophobicContact CB-CD2 4.37Å; A413-F422 HydrophobicContact CB-CE1 4.19Å; A413-F422 HydrophobicContact CB-CE2 3.79Å; A413-F422 HydrophobicContact CB-CZ 3.69Å; A413-F422 PolarHBondContact N-O 3.31Å; A413-F422 WeakPolarHBondContact O-CD1 3.32Å; A413-F422 PolarHBondContact O-N 3.32Å; F422-V424 HydrophobicContact CD2-CG1 4.22Å; F422-V424 HydrophobicContact CE2-CG1 3.92Å
423	F	98.8	Very high	97.3	Very high	90 Å²	90	52.7 Å²	52.7	40%	0.395	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.8	176.1	-72.2	-73.9	0	0	0	111.4	Q381 E382 E412	Q381-F423 HydrophobicContact CB-CE2 4.11Å; Q381-F423 HydrophobicContact CB-CZ 4Å; Q381-F423 HydrophobicContact CG-CE2 4.33Å; E382-F423 HydrophobicContact CG-CE1 4.37Å; E382-F423 HydrophobicContact CG-CZ 4.03Å; E412-F423 HydrophobicContact CG-CD1 3.58Å; E412-F423 HydrophobicContact CG-CE1 3.47Å; E412-F423 VanDerWaalsContact CG-CE1 3.47Å; E412-F423 HydrophobicContact CG-CG 4.44Å; E412-F423 HydrophobicContact CG-CZ 4.28Å
424	V	98.7	Very high	97.3	Very high	19 Å²	19	53.1 Å²	53.1	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-177.6	165.2	-60.5	0	0	0	0	109.1	Y397 V411 A413 F422	Y397-V424 HydrophobicContact CD1-CG2 4.33Å; Y397-V424 HydrophobicContact CE1-CG1 4.28Å; Y397-V424 HydrophobicContact CE1-CG2 4.25Å; V411-V424 HydrophobicContact CB-CG2 3.68Å; V411-V424 HydrophobicContact CG1-CG2 3.56Å; V411-V424 PolarHBondContact O-N 2.94Å; A413-V424 HydrophobicContact CB-CG1 3.99Å; F422-V424 HydrophobicContact CD2-CG1 4.22Å; F422-V424 HydrophobicContact CE2-CG1 3.92Å
425	A	98.7	Very high	97.3	Very high	18 Å²	18	53.1 Å²	53.1	15%	0.149	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-56.1	134.9	178.2	0	0	0	0	0	111.4	Y463 N468 W470	A425-Y463 HydrophobicContact CB-CE2 4.44Å; A425-N468 WeakPolarHBondContact CB-O 3.37Å; A425-N468 WeakPolarHBondContact CB-OD1 3.37Å; A425-N468 PolarHBondContact N-OD1 3.29Å; A425-W470 VanDerWaalsContact O-CD1 3.28Å; A425-W470 PolarHBondContact O-NE1 2.88Å
426	P	98.8	Very high	97.4	Very high	79 Å²	79	53 Å²	53	51%	0.513	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72.5	154.9	175.8	32	-35	0	0	0	110.6	A409 W470	A409-P426 CarbonylContact O-C 3.54Å; A409-P426 WeakPolarHBondContact O-CA 3.41Å; A409-P426 WeakPolarHBondContact O-CB 3.45Å; P426-W470 VanDerWaalsContact C-CD1 3.48Å
427	M	98.7	Very high	97.6	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.039	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.1	157	168	-65.2	176	-65.6	0	0	110.7	V399 A409 V411 T429 R431 A445 W470	V399-M427 HydrophobicContact CG1-CE 3.84Å; V399-M427 HydrophobicContact CG1-SD 3.51Å; V399-M427 VanDerWaalsContact CG1-SD 3.51Å; A409-M427 PolarHBondContact O-N 3.27Å; V411-M427 HydrophobicContact CG2-CE 4.47Å; V411-M427 HydrophobicContact CG2-CG 4.12Å; M427-T429 VanDerWaalsContact C-N 3.34Å; M427-T429 WeakPolarHBondContact CB-O 3.15Å; M427-R431 HydrophobicContact CE-CB 4.13Å; M427-R431 HydrophobicContact CE-CG 4.21Å; M427-R431 HydrophobicContact SD-CG 4.25Å; M427-A445 HydrophobicContact SD-CB 3.57Å; M427-A445 VanDerWaalsContact SD-CB 3.57Å; M427-W470 HydrophobicContact CB-CD2 4.49Å; M427-W470 HydrophobicContact CG-CD2 3.73Å; M427-W470 HydrophobicContact CG-CE3 4.01Å; M427-W470 HydrophobicContact CG-CG 4.29Å; M427-W470 HydrophobicContact CG-CH2 4.13Å; M427-W470 HydrophobicContact CG-CZ2 3.88Å; M427-W470 HydrophobicContact CG-CZ3 4.2Å; M427-W470 HydrophobicContact SD-CH2 4.43Å
428	N	98.4	Very high	98	Very high	94 Å²	94	44.5 Å²	44.5	50%	0.503	24%	0.236	S	C	.	.	S	Bend	trans	-70.2	-34.6	175.3	-60.9	-83.6	0	0	0	111.4	E461 W470 Y472	N428-E461 VanDerWaalsContact CB-OE2 3.23Å; N428-E461 WeakPolarHBondContact CB-OE2 3.23Å; N428-E461 PolarHBondContact N-OE2 3.29Å; N428-E461 PolarHBondContact ND2-OE2 3.3Å; N428-W470 PolarHBondContact ND2-O 3.43Å; N428-Y472 HydrophobicContact CB-CE2 3.72Å; N428-Y472 WeakPolarHBondContact CB-OH 3.32Å
429	T	98.2	Very high	98.1	Very high	25 Å²	25	40.7 Å²	40.7	15%	0.153	21%	0.213	C	C	.	.	S	Bend	trans	-115	141.2	176	-62.7	0	0	0	0	110.5	M427 R431 D450 L457 E461 Y472	M427-T429 VanDerWaalsContact C-N 3.34Å; M427-T429 WeakPolarHBondContact CB-O 3.15Å; T429-R431 WeakPolarHBondContact O-CG 3.47Å; T429-D450 HydrophobicContact CG2-CB 4.1Å; T429-L457 HydrophobicContact CG2-CD1 3.71Å; T429-L457 HydrophobicContact CG2-CD2 4.33Å; T429-E461 PolarHBondContact N-OE1 3.02Å; T429-Y472 PolarHBondContact OG1-OH 2.95Å
430	R	97.9	Very high	97.9	Very high	101 Å²	101	44.2 Å²	44.2	38%	0.381	23%	0.227	S	C	.	.			trans	-72.1	135.2	172.3	80.1	-167.2	94.2	-113.7	-1.1	110	G407 L408 A409 D450 A452	G407-R430 WeakPolarHBondContact O-CD 3.48Å; L408-R430 WeakPolarHBondContact O-CA 3.38Å; A409-R430 HydrophobicContact CB-CB 4.05Å; R430-D450 WeakPolarHBondContact CD-OD1 3.49Å; R430-D450 HydrophobicContact CG-CB 4.31Å; R430-D450 WeakPolarHBondContact CG-OD1 3.29Å; R430-D450 IonicContact CZ-OD1 3.52Å; R430-D450 IonicContact NE-OD1 3.73Å; R430-D450 PolarHBondContact NE-OD1 2.76Å; R430-A452 VanDerWaalsContact NE-CB 3.27Å
431	R	98.4	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.			trans	-135.6	112.8	-174.9	-52.9	178.3	177.8	-95.2	-3.2	110.6	G401 L408 M427 T429 V434 G447 L457 T459 E461	G401-R431 PolarHBondContact N-O 3.48Å; L408-R431 PolarHBondContact O-N 3.23Å; M427-R431 HydrophobicContact CE-CB 4.13Å; M427-R431 HydrophobicContact CE-CG 4.21Å; M427-R431 HydrophobicContact SD-CG 4.25Å; T429-R431 WeakPolarHBondContact O-CG 3.47Å; R431-V434 HydrophobicContact CB-CB 3.71Å; R431-V434 HydrophobicContact CB-CG1 4.24Å; R431-V434 HydrophobicContact CB-CG2 3.85Å; R431-V434 HydrophobicContact CG-CG2 4.47Å; R431-G447 WeakPolarHBondContact CD-O 3.39Å; R431-G447 PolarHBondContact NH1-O 2.86Å; R431-L457 HydrophobicContact CG-CD1 3.91Å; R431-T459 PolarHBondContact NH1-O 2.83Å; R431-T459 PolarHBondContact NH1-OG1 3.04Å; R431-T459 PolarHBondContact NH2-OG1 3Å; R431-E461 IonicContact CZ-OE1 2.85Å; R431-E461 VanDerWaalsContact CZ-OE1 3.25Å; R431-E461 IonicContact NE-OE1 3.51Å; R431-E461 PolarHBondContact NE-OE1 3.3Å; R431-E461 IonicContact NH2-OE1 2.76Å; R431-E461 PolarHBondContact NH2-OE1 3.02Å
432	S	98.3	Very high	97.5	Very high	13 Å²	13	42.1 Å²	42.1	9%	0.091	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-101	155.4	163.7	63.3	0	0	0	0	110.3	V434 G448 Y449	S432-V434 PolarHBondContact O-N 2.95Å; S432-G448 CarbonylContact O-C 3.6Å; S432-G448 VanDerWaalsContact O-CA 3.23Å; S432-G448 WeakPolarHBondContact O-CA 3.4Å; S432-Y449 PolarHBondContact N-O 3.19Å; S432-Y449 PolarHBondContact O-N 2.83Å; S432-Y449 PolarHBondContact OG-O 2.83Å; S432-Y449 VanDerWaalsContact OG-O 3.07Å
433	S	98.3	Very high	97.6	Very high	19 Å²	19	38 Å²	38	13%	0.133	21%	0.208	C	C	.	.	S	Bend	trans	50.1	42.8	-172	-50.5	0	0	0	0	112.1	T386 G448 S481 G482	T386-S433 VanDerWaalsContact O-CA 3.32Å; T386-S433 WeakPolarHBondContact O-CA 3.38Å; T386-S433 PolarHBondContact O-N 2.75Å; T386-S433 PolarHBondContact OG1-N 2.88Å; S433-G448 WeakPolarHBondContact O-CA 3.34Å; S433-S481 WeakPolarHBondContact CB-OG 3.47Å; S433-G482 PolarHBondContact O-N 3.42Å
434	V	98.7	Very high	97.6	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	19%	0.19	C	C	.	.			trans	-89	136.1	-177.8	61.2	0	0	0	0	110.1	T386 V399 R431 S432 V436 A445	T386-V434 PolarHBondContact O-N 3.1Å; V399-V434 WeakPolarHBondContact O-CG1 3.45Å; R431-V434 HydrophobicContact CB-CB 3.71Å; R431-V434 HydrophobicContact CB-CG1 4.24Å; R431-V434 HydrophobicContact CB-CG2 3.85Å; R431-V434 HydrophobicContact CG-CG2 4.47Å; S432-V434 PolarHBondContact O-N 2.95Å; V434-V436 HydrophobicContact CG2-CG2 4.39Å; V434-A445 HydrophobicContact CG2-CB 4.11Å
435	G	98.6	Very high	97.6	Very high	8 Å²	8	32.9 Å²	32.9	8%	0.082	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.2	169.8	0	0	0	0	0	110.5	V446	G435-V446 PolarHBondContact N-O 3.46Å; G435-V446 PolarHBondContact O-N 3.36Å
436	V	98.8	Very high	97.6	Very high	16 Å²	16	32 Å²	32	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.8	-174.3	175.9	0	0	0	0	110.4	A390 V399 V434 L443 Y444	A390-V436 HydrophobicContact CB-CG1 3.64Å; V399-V436 HydrophobicContact CB-CG2 3.91Å; V399-V436 HydrophobicContact CG1-CG2 4.09Å; V399-V436 HydrophobicContact CG2-CG1 4.27Å; V399-V436 HydrophobicContact CG2-CG2 4.14Å; V434-V436 HydrophobicContact CG2-CG2 4.39Å; V436-L443 HydrophobicContact CG1-CD1 3.26Å; V436-L443 HydrophobicContact CG1-CG 4.09Å; V436-Y444 VanDerWaalsContact CA-O 3.22Å; V436-Y444 WeakPolarHBondContact CA-O 3.39Å; V436-Y444 WeakPolarHBondContact CG1-O 3.43Å
437	G	98.4	Very high	97.6	Very high	6 Å²	6	28.2 Å²	28.2	6%	0.062	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.3	174.2	0	0	0	0	0	111.7	Y444	G437-Y444 PolarHBondContact N-O 3.25Å; G437-Y444 VanDerWaalsContact N-O 3.17Å; G437-Y444 PolarHBondContact O-N 3.08Å
438	V	98.4	Very high	97.6	Very high	40 Å²	40	27.9 Å²	27.9	24%	0.242	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	-179.7	173.8	0	0	0	0	109.4	A390 L392 K442 L443	A390-V438 HydrophobicContact CB-CG2 3.8Å; L392-V438 HydrophobicContact CB-CG1 4.31Å; L392-V438 HydrophobicContact CB-CG2 4.16Å; L392-V438 HydrophobicContact CD1-CG1 3.82Å; V438-K442 CarbonylContact C-O 3.55Å; V438-K442 VanDerWaalsContact CA-O 3.29Å; V438-K442 WeakPolarHBondContact CA-O 3.45Å; V438-L443 HydrophobicContact CG2-CB 4.37Å; V438-L443 HydrophobicContact CG2-CD1 3.52Å
439	V	95.3	Very high	97.6	Very high	4 Å²	4	27 Å²	27	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.2	-179.2	-174.7	0	0	0	0	108.2	G441 K442 Y444 V487 G490 L492 P512	V439-G441 VanDerWaalsContact C-N 3.29Å; V439-G441 PolarHBondContact O-N 2.97Å; V439-K442 PolarHBondContact N-O 3.44Å; V439-K442 PolarHBondContact O-N 3.4Å; V439-Y444 HydrophobicContact CB-CD2 4.37Å; V439-Y444 HydrophobicContact CB-CE2 3.76Å; V439-Y444 HydrophobicContact CG2-CD2 4.48Å; V439-Y444 HydrophobicContact CG2-CE2 4.3Å; V439-V487 HydrophobicContact CG2-CB 4.41Å; V439-V487 HydrophobicContact CG2-CG1 3.8Å; V439-V487 HydrophobicContact CG2-CG2 3.68Å; V439-G490 WeakPolarHBondContact CG1-O 3.26Å; V439-L492 HydrophobicContact CG2-CB 4.13Å; V439-L492 HydrophobicContact CG2-CD1 4.46Å; V439-P512 HydrophobicContact CG1-CG 3.83Å
440	E	90.8	Very high	97.5	Very high	147 Å²	147	26.8 Å²	26.8	69%	0.687	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	44.1	175.1	-64	175.4	176.2	0	0	113.7	K442	E440-K442 PolarHBondContact O-N 2.72Å
441	G	91.1	Very high	97.3	Very high	35 Å²	35	23.6 Å²	23.6	36%	0.361	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	8.2	178.2	0	0	0	0	0	115.1	L392 V439	L392-G441 WeakPolarHBondContact CD1-O 3.38Å; V439-G441 VanDerWaalsContact C-N 3.29Å; V439-G441 PolarHBondContact O-N 2.97Å
442	K	97	Very high	97	Very high	67 Å²	67	26.6 Å²	26.6	29%	0.291	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.4	173.3	-77.4	129.1	166.1	-104.2	0	111.1	V438 V439 E440 Y444 Q462	V438-K442 CarbonylContact C-O 3.55Å; V438-K442 VanDerWaalsContact CA-O 3.29Å; V438-K442 WeakPolarHBondContact CA-O 3.45Å; V439-K442 PolarHBondContact N-O 3.44Å; V439-K442 PolarHBondContact O-N 3.4Å; E440-K442 PolarHBondContact O-N 2.72Å; K442-Y444 HydrophobicContact CB-CE2 3.75Å; K442-Q462 HydrophobicContact CB-CG 3.79Å; K442-Q462 HydrophobicContact CD-CG 4.5Å; K442-Q462 HydrophobicContact CG-CG 3.94Å; K442-Q462 VanDerWaalsContact NZ-CD 3.35Å
443	L	98.7	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.9	177.3	174.7	76	0	0	0	109.2	A390 L392 Y397 V399 V436 V438 Q462 Y463 W470	A390-L443 HydrophobicContact CB-CD1 3.62Å; L392-L443 HydrophobicContact CD2-CB 3.93Å; Y397-L443 HydrophobicContact CD1-CD2 4.02Å; Y397-L443 HydrophobicContact CG-CD2 3.93Å; V399-L443 HydrophobicContact CG2-CD2 3.92Å; V436-L443 HydrophobicContact CG1-CD1 3.26Å; V436-L443 HydrophobicContact CG1-CG 4.09Å; V438-L443 HydrophobicContact CG2-CB 4.37Å; V438-L443 HydrophobicContact CG2-CD1 3.52Å; L443-Q462 CarbonylContact O-C 3.5Å; L443-Q462 WeakPolarHBondContact O-CA 3.38Å; L443-Y463 HydrophobicContact CB-CD1 4.21Å; L443-Y463 HydrophobicContact CD2-CD1 4.19Å; L443-Y463 PolarHBondContact N-O 2.89Å; L443-Y463 PolarHBondContact O-N 3.31Å; L443-W470 HydrophobicContact CD2-CH2 3.82Å; L443-W470 HydrophobicContact CD2-CZ2 4.07Å; L443-W470 HydrophobicContact CG-CH2 4.12Å
444	Y	98.9	Very high	96.6	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.8	-177.2	-63.8	-101.5	0	0	0	110.5	V436 G437 V439 K442 E461 Q462 L492 Y510 P512	V436-Y444 VanDerWaalsContact CA-O 3.22Å; V436-Y444 WeakPolarHBondContact CA-O 3.39Å; V436-Y444 WeakPolarHBondContact CG1-O 3.43Å; G437-Y444 PolarHBondContact N-O 3.25Å; G437-Y444 VanDerWaalsContact N-O 3.17Å; G437-Y444 PolarHBondContact O-N 3.08Å; V439-Y444 HydrophobicContact CB-CD2 4.37Å; V439-Y444 HydrophobicContact CB-CE2 3.76Å; V439-Y444 HydrophobicContact CG2-CD2 4.48Å; V439-Y444 HydrophobicContact CG2-CE2 4.3Å; K442-Y444 HydrophobicContact CB-CE2 3.75Å; Y444-E461 CarbonylContact C-O 3.52Å; Y444-E461 VanDerWaalsContact CA-O 3.3Å; Y444-E461 WeakPolarHBondContact CA-O 3.22Å; Y444-Q462 HydrophobicContact CD1-CB 3.99Å; Y444-Q462 HydrophobicContact CD1-CG 4.18Å; Y444-Q462 HydrophobicContact CE1-CB 3.89Å; Y444-Q462 HydrophobicContact CE1-CG 3.77Å; Y444-Q462 HydrophobicContact CE2-CG 4.47Å; Y444-Q462 PolarHBondContact OH-NE2 2.85Å; Y444-L492 HydrophobicContact CD1-CD2 4.27Å; Y444-L492 HydrophobicContact CG-CD2 3.91Å; Y444-Y510 HydrophobicContact CD1-CE1 4.3Å; Y444-Y510 HydrophobicContact CE1-CD1 4.43Å; Y444-Y510 AromaticContact CE1-CE1 3.67Å; Y444-Y510 HydrophobicContact CE1-CE1 3.67Å; Y444-P512 WeakPolarHBondContact OH-CB 3.3Å
445	A	98.9	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.4	172.1	0	0	0	0	0	109.3	V399 M427 V434 V460 E461 W470	V399-A445 HydrophobicContact CG1-CB 4.2Å; M427-A445 HydrophobicContact SD-CB 3.57Å; M427-A445 VanDerWaalsContact SD-CB 3.57Å; V434-A445 HydrophobicContact CG2-CB 4.11Å; A445-V460 WeakPolarHBondContact O-CA 3.41Å; A445-E461 PolarHBondContact N-O 2.8Å; A445-E461 PolarHBondContact O-N 3Å; A445-W470 HydrophobicContact CB-CH2 4.01Å; A445-W470 HydrophobicContact CB-CZ3 3.67Å
446	V	98.9	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.1	-167.2	-175	0	0	0	0	110.1	G435 V460 M476 V485 L492 A494 W517	G435-V446 PolarHBondContact N-O 3.46Å; G435-V446 PolarHBondContact O-N 3.36Å; V446-V460 HydrophobicContact CG1-CG2 4.12Å; V446-V460 HydrophobicContact CG2-CG1 4.01Å; V446-M476 HydrophobicContact CG1-CE 3.82Å; V446-M476 HydrophobicContact CG1-SD 3.48Å; V446-M476 WeakPolarHBondContact CG1-SD 3.28Å; V446-V485 HydrophobicContact CB-CG2 3.97Å; V446-V485 HydrophobicContact CG1-CG2 4.21Å; V446-V485 HydrophobicContact CG2-CG1 4.11Å; V446-V485 HydrophobicContact CG2-CG2 4.37Å; V446-L492 HydrophobicContact CG2-CD2 3.54Å; V446-L492 HydrophobicContact CG2-CG 4.32Å; V446-A494 HydrophobicContact CG1-CB 4.15Å; V446-W517 HydrophobicContact CG1-CH2 4.07Å; V446-W517 HydrophobicContact CG1-CZ2 4.36Å
447	G	98.6	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.			trans	61	-137.6	174.7	0	0	0	0	0	113.4	R431 L457 T459 R480	R431-G447 WeakPolarHBondContact CD-O 3.39Å; R431-G447 PolarHBondContact NH1-O 2.86Å; G447-L457 WeakPolarHBondContact CA-O 3.43Å; G447-T459 PolarHBondContact N-O 2.86Å; G447-R480 WeakPolarHBondContact CA-O 3.33Å
448	G	98.4	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.			trans	99.1	-161.4	-175	0	0	0	0	0	113.1	S432 S433 C456 L457 R480	S432-G448 CarbonylContact O-C 3.6Å; S432-G448 VanDerWaalsContact O-CA 3.23Å; S432-G448 WeakPolarHBondContact O-CA 3.4Å; S433-G448 WeakPolarHBondContact O-CA 3.34Å; G448-C456 CarbonylContact O-C 3.59Å; G448-C456 WeakPolarHBondContact O-CA 3.47Å; G448-L457 PolarHBondContact O-N 3.18Å; G448-R480 PolarHBondContact N-O 3.08Å
449	Y	98.5	Very high	96.5	Very high	77 Å²	77	40.6 Å²	40.6	30%	0.302	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	-178.9	177.5	-97.6	0	0	0	110.7	S432 R454 Q455	S432-Y449 PolarHBondContact N-O 3.19Å; S432-Y449 PolarHBondContact O-N 2.83Å; S432-Y449 PolarHBondContact OG-O 2.83Å; S432-Y449 VanDerWaalsContact OG-O 3.07Å; Y449-R454 WeakPolarHBondContact OH-CA 3.34Å; Y449-Q455 WeakPolarHBondContact CD2-O 3.14Å
450	D	97.6	Very high	96.7	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.2	172.5	170.1	24.1	0	0	0	109.9	T429 R430 A452 S453 R454 Q455 L457	T429-D450 HydrophobicContact CG2-CB 4.1Å; R430-D450 WeakPolarHBondContact CD-OD1 3.49Å; R430-D450 HydrophobicContact CG-CB 4.31Å; R430-D450 WeakPolarHBondContact CG-OD1 3.29Å; R430-D450 IonicContact CZ-OD1 3.52Å; R430-D450 IonicContact NE-OD1 3.73Å; R430-D450 PolarHBondContact NE-OD1 2.76Å; D450-A452 VanDerWaalsContact C-N 3.25Å; D450-A452 PolarHBondContact O-N 3.12Å; D450-A452 WeakPolarHBondContact OD1-CB 3.49Å; D450-A452 PolarHBondContact OD1-N 2.87Å; D450-S453 VanDerWaalsContact CG-OG 3.29Å; D450-S453 VanDerWaalsContact OD2-CB 3.26Å; D450-S453 WeakPolarHBondContact OD2-CB 3.44Å; D450-S453 PolarHBondContact OD2-N 3.32Å; D450-S453 VanDerWaalsContact OD2-N 3.12Å; D450-S453 PolarHBondContact OD2-OG 2.8Å; D450-R454 VanDerWaalsContact O-CA 3.26Å; D450-R454 WeakPolarHBondContact O-CA 3.4Å; D450-R454 PolarHBondContact O-N 2.79Å; D450-Q455 PolarHBondContact N-O 2.8Å; D450-Q455 PolarHBondContact O-N 3.39Å; D450-L457 HydrophobicContact CB-CD1 4.19Å; D450-L457 HydrophobicContact CB-CD2 4.05Å; D450-L457 HydrophobicContact CB-CG 4.37Å
451	G	92.3	Very high	97	Very high	34 Å²	34	33.4 Å²	33.4	35%	0.351	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18	179.1	0	0	0	0	0	115
452	A	92.4	Very high	97.4	Very high	64 Å²	64	32.8 Å²	32.8	53%	0.529	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-49	177.7	0	0	0	0	0	112	R430 D450 R454	R430-A452 VanDerWaalsContact NE-CB 3.27Å; D450-A452 VanDerWaalsContact C-N 3.25Å; D450-A452 PolarHBondContact O-N 3.12Å; D450-A452 WeakPolarHBondContact OD1-CB 3.49Å; D450-A452 PolarHBondContact OD1-N 2.87Å; A452-R454 VanDerWaalsContact C-N 3.29Å
453	S	94.3	Very high	97.5	Very high	60 Å²	60	29.9 Å²	29.9	42%	0.42	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.5	172.5	60.4	0	0	0	0	113.3	D450 Q455	D450-S453 VanDerWaalsContact CG-OG 3.29Å; D450-S453 VanDerWaalsContact OD2-CB 3.26Å; D450-S453 WeakPolarHBondContact OD2-CB 3.44Å; D450-S453 PolarHBondContact OD2-N 3.32Å; D450-S453 VanDerWaalsContact OD2-N 3.12Å; D450-S453 PolarHBondContact OD2-OG 2.8Å; S453-Q455 VanDerWaalsContact C-N 3.34Å
454	R	94.6	Very high	97.5	Very high	191 Å²	191	32.2 Å²	32.2	72%	0.721	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	42.1	-174.4	-56.5	-178.2	177.4	-174.3	-0.5	112.6	Y449 D450 A452	Y449-R454 WeakPolarHBondContact OH-CA 3.34Å; D450-R454 VanDerWaalsContact O-CA 3.26Å; D450-R454 WeakPolarHBondContact O-CA 3.4Å; D450-R454 PolarHBondContact O-N 2.79Å; A452-R454 VanDerWaalsContact C-N 3.29Å
455	Q	96.4	Very high	97.3	Very high	89 Å²	89	33.8 Å²	33.8	42%	0.416	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.6	-175.2	-67.5	-66.6	-33.4	0	0	111.9	Y449 D450 S453	Y449-Q455 WeakPolarHBondContact CD2-O 3.14Å; D450-Q455 PolarHBondContact N-O 2.8Å; D450-Q455 PolarHBondContact O-N 3.39Å; S453-Q455 VanDerWaalsContact C-N 3.34Å
456	C	98	Very high	97.1	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.1	160.4	-64	0	0	0	0	109.1	G448 R479	G448-C456 CarbonylContact O-C 3.59Å; G448-C456 WeakPolarHBondContact O-CA 3.47Å; C456-R479 HydrophobicContact CB-CB 4Å; C456-R479 VanDerWaalsContact O-CD 3.22Å; C456-R479 WeakPolarHBondContact O-CD 3.49Å; C456-R479 WeakPolarHBondContact O-CG 3.2Å; C456-R479 PolarHBondContact O-NH1 2.91Å
457	L	98.5	Very high	97	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	24%	0.241	C	C	.	.			trans	-105.1	139.5	-172.2	-59.1	173	0	0	0	111.2	T429 R431 G447 G448 D450 R480	T429-L457 HydrophobicContact CG2-CD1 3.71Å; T429-L457 HydrophobicContact CG2-CD2 4.33Å; R431-L457 HydrophobicContact CG-CD1 3.91Å; G447-L457 WeakPolarHBondContact CA-O 3.43Å; G448-L457 PolarHBondContact O-N 3.18Å; D450-L457 HydrophobicContact CB-CD1 4.19Å; D450-L457 HydrophobicContact CB-CD2 4.05Å; D450-L457 HydrophobicContact CB-CG 4.37Å; L457-R480 PolarHBondContact O-N 3.48Å
458	S	98.4	Very high	97	Very high	16 Å²	16	45.1 Å²	45.1	11%	0.112	26%	0.26	C	S	.	.			trans	-95.9	-18.4	162.4	50.8	0	0	0	0	112	D475 M476	S458-D475 PolarHBondContact OG-OD2 3.02Å; S458-M476 WeakPolarHBondContact O-CE 3.26Å; S458-M476 PolarHBondContact O-N 3.08Å
459	T	98.8	Very high	97	Very high	30 Å²	30	50.6 Å²	50.6	18%	0.184	29%	0.285	C	S	.	.			trans	-68.5	149.7	-174.6	61.5	0	0	0	0	111.4	R431 G447 D475	R431-T459 PolarHBondContact NH1-O 2.83Å; R431-T459 PolarHBondContact NH1-OG1 3.04Å; R431-T459 PolarHBondContact NH2-OG1 3Å; G447-T459 PolarHBondContact N-O 2.86Å; T459-D475 WeakPolarHBondContact CA-OD1 3.41Å; T459-D475 WeakPolarHBondContact CG2-OD2 3.47Å
460	V	98.9	Very high	97	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.6	179.9	-175.4	0	0	0	0	108.5	A445 V446 V473 M476 W517	A445-V460 WeakPolarHBondContact O-CA 3.41Å; V446-V460 HydrophobicContact CG1-CG2 4.12Å; V446-V460 HydrophobicContact CG2-CG1 4.01Å; V460-V473 HydrophobicContact CB-CG2 3.66Å; V460-V473 HydrophobicContact CG1-CG2 3.56Å; V460-V473 PolarHBondContact O-N 3.07Å; V460-M476 HydrophobicContact CG2-CE 4.42Å; V460-M476 HydrophobicContact CG2-CG 4.09Å; V460-W517 HydrophobicContact CG1-CZ2 4.49Å; V460-W517 HydrophobicContact CG2-CZ2 3.79Å
461	E	98.8	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.7	178.3	-65.7	175.5	-112.4	0	0	110.2	N428 T429 R431 Y444 A445 W470 T471 Y472	N428-E461 VanDerWaalsContact CB-OE2 3.23Å; N428-E461 WeakPolarHBondContact CB-OE2 3.23Å; N428-E461 PolarHBondContact N-OE2 3.29Å; N428-E461 PolarHBondContact ND2-OE2 3.3Å; T429-E461 PolarHBondContact N-OE1 3.02Å; R431-E461 IonicContact CZ-OE1 2.85Å; R431-E461 VanDerWaalsContact CZ-OE1 3.25Å; R431-E461 IonicContact NE-OE1 3.51Å; R431-E461 PolarHBondContact NE-OE1 3.3Å; R431-E461 IonicContact NH2-OE1 2.76Å; R431-E461 PolarHBondContact NH2-OE1 3.02Å; Y444-E461 CarbonylContact C-O 3.52Å; Y444-E461 VanDerWaalsContact CA-O 3.3Å; Y444-E461 WeakPolarHBondContact CA-O 3.22Å; A445-E461 PolarHBondContact N-O 2.8Å; A445-E461 PolarHBondContact O-N 3Å; E461-W470 HydrophobicContact CB-CE3 3.66Å; E461-W470 HydrophobicContact CB-CZ3 4.22Å; E461-T471 CarbonylContact C-O 3.56Å; E461-T471 VanDerWaalsContact CA-O 3.27Å; E461-T471 WeakPolarHBondContact CA-O 3.44Å; E461-Y472 HydrophobicContact CG-CD1 3.57Å; E461-Y472 HydrophobicContact CG-CE1 3.56Å; E461-Y472 HydrophobicContact CG-CG 4.36Å
462	Q	98.8	Very high	97.4	Very high	22 Å²	22	54 Å²	54	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	175.9	-179.4	-170.7	74.9	0	0	109.1	K442 L443 Y444 W470 T471 V473	K442-Q462 HydrophobicContact CB-CG 3.79Å; K442-Q462 HydrophobicContact CD-CG 4.5Å; K442-Q462 HydrophobicContact CG-CG 3.94Å; K442-Q462 VanDerWaalsContact NZ-CD 3.35Å; L443-Q462 CarbonylContact O-C 3.5Å; L443-Q462 WeakPolarHBondContact O-CA 3.38Å; Y444-Q462 HydrophobicContact CD1-CB 3.99Å; Y444-Q462 HydrophobicContact CD1-CG 4.18Å; Y444-Q462 HydrophobicContact CE1-CB 3.89Å; Y444-Q462 HydrophobicContact CE1-CG 3.77Å; Y444-Q462 HydrophobicContact CE2-CG 4.47Å; Y444-Q462 PolarHBondContact OH-NE2 2.85Å; Q462-W470 CarbonylContact O-C 3.55Å; Q462-W470 VanDerWaalsContact O-CA 3.32Å; Q462-W470 WeakPolarHBondContact O-CA 3.03Å; Q462-T471 PolarHBondContact N-O 2.82Å; Q462-T471 PolarHBondContact O-N 3.17Å; Q462-V473 HydrophobicContact CB-CG1 3.7Å
463	Y	98.9	Very high	97.7	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	172	176.5	-109.9	0	0	0	110.9	Y397 A425 L443 P465 N468 E469 W470	Y397-Y463 HydrophobicContact CE1-CD1 4.37Å; Y397-Y463 AromaticContact CE1-CE1 3.68Å; Y397-Y463 HydrophobicContact CE1-CE1 3.68Å; A425-Y463 HydrophobicContact CB-CE2 4.44Å; L443-Y463 HydrophobicContact CB-CD1 4.21Å; L443-Y463 HydrophobicContact CD2-CD1 4.19Å; L443-Y463 PolarHBondContact N-O 2.89Å; L443-Y463 PolarHBondContact O-N 3.31Å; Y463-P465 HydrophobicContact CE1-CB 3.9Å; Y463-N468 PolarHBondContact OH-OD1 2.82Å; Y463-E469 WeakPolarHBondContact CA-O 3.14Å; Y463-E469 WeakPolarHBondContact CD2-O 3.34Å; Y463-W470 AromaticContact CD2-CD1 3.7Å; Y463-W470 HydrophobicContact CD2-CD2 4.1Å; Y463-W470 AromaticContact CD2-CE2 3.7Å; Y463-W470 HydrophobicContact CD2-CG 4.11Å; Y463-W470 HydrophobicContact CD2-CZ2 4.24Å; Y463-W470 AromaticContact CD2-NE1 3.43Å; Y463-W470 HydrophobicContact CG-CD2 4.26Å; Y463-W470 AromaticContact CG-CE2 3.85Å; Y463-W470 HydrophobicContact CG-CH2 4.48Å; Y463-W470 AromaticContact CG-CZ2 3.97Å; Y463-W470 HydrophobicContact CG-CZ2 3.97Å
464	N	97.6	Very high	97.9	Very high	48 Å²	48	50.2 Å²	50.2	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.3	171.1	-177.5	-6.4	0	0	0	109.6	A466 T467 N468 E469	N464-A466 PolarHBondContact O-N 2.87Å; N464-A466 WeakPolarHBondContact OD1-CB 3.37Å; N464-A466 PolarHBondContact OD1-N 3.19Å; N464-T467 WeakPolarHBondContact CB-OG1 3.32Å; N464-T467 PolarHBondContact O-N 2.96Å; N464-N468 WeakPolarHBondContact O-CA 3.04Å; N464-N468 PolarHBondContact O-N 3.27Å; N464-E469 PolarHBondContact N-O 3.11Å
465	P	95.4	Very high	98.1	Very high	35 Å²	35	44.9 Å²	44.9	23%	0.227	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	-179.6	29.2	-37.1	0	0	0	113.3	L392 Y463	L392-P465 HydrophobicContact CD2-CB 4.37Å; L392-P465 HydrophobicContact CD2-CG 3.89Å; L392-P465 HydrophobicContact CG-CG 4.47Å; Y463-P465 HydrophobicContact CE1-CB 3.9Å
466	A	95.3	Very high	98.2	Very high	91 Å²	91	40.9 Å²	40.9	75%	0.752	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.9	179.4	0	0	0	0	0	112.8	N464	N464-A466 PolarHBondContact O-N 2.87Å; N464-A466 WeakPolarHBondContact OD1-CB 3.37Å; N464-A466 PolarHBondContact OD1-N 3.19Å
467	T	97.2	Very high	98.1	Very high	74 Å²	74	44.7 Å²	44.7	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-14	176.7	60.1	0	0	0	0	112.4	N464 E469	N464-T467 WeakPolarHBondContact CB-OG1 3.32Å; N464-T467 PolarHBondContact O-N 2.96Å; T467-E469 VanDerWaalsContact C-N 3.33Å
468	N	97.9	Very high	98	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	50.3	-172	-174.7	35.4	0	0	0	111.2	A425 Y463 N464	A425-N468 WeakPolarHBondContact CB-O 3.37Å; A425-N468 WeakPolarHBondContact CB-OD1 3.37Å; A425-N468 PolarHBondContact N-OD1 3.29Å; Y463-N468 PolarHBondContact OH-OD1 2.82Å; N464-N468 WeakPolarHBondContact O-CA 3.04Å; N464-N468 PolarHBondContact O-N 3.27Å
469	E	98.5	Very high	98	Very high	115 Å²	115	49.7 Å²	49.7	54%	0.537	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.5	-177.6	-71.2	176.9	166.6	0	0	111.7	Y463 N464 T467	Y463-E469 WeakPolarHBondContact CA-O 3.14Å; Y463-E469 WeakPolarHBondContact CD2-O 3.34Å; N464-E469 PolarHBondContact N-O 3.11Å; T467-E469 VanDerWaalsContact C-N 3.33Å
470	W	98.8	Very high	98	Very high	15 Å²	15	48.3 Å²	48.3	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.1	172.4	-71.5	88.8	0	0	0	110.7	V399 V411 A425 P426 M427 N428 L443 A445 E461 Q462 Y463	V399-W470 HydrophobicContact CG1-CH2 4.09Å; V399-W470 HydrophobicContact CG1-CZ2 4.33Å; V411-W470 HydrophobicContact CG1-CZ2 4.43Å; V411-W470 HydrophobicContact CG2-CZ2 3.86Å; A425-W470 VanDerWaalsContact O-CD1 3.28Å; A425-W470 PolarHBondContact O-NE1 2.88Å; P426-W470 VanDerWaalsContact C-CD1 3.48Å; M427-W470 HydrophobicContact CB-CD2 4.49Å; M427-W470 HydrophobicContact CG-CD2 3.73Å; M427-W470 HydrophobicContact CG-CE3 4.01Å; M427-W470 HydrophobicContact CG-CG 4.29Å; M427-W470 HydrophobicContact CG-CH2 4.13Å; M427-W470 HydrophobicContact CG-CZ2 3.88Å; M427-W470 HydrophobicContact CG-CZ3 4.2Å; M427-W470 HydrophobicContact SD-CH2 4.43Å; N428-W470 PolarHBondContact ND2-O 3.43Å; L443-W470 HydrophobicContact CD2-CH2 3.82Å; L443-W470 HydrophobicContact CD2-CZ2 4.07Å; L443-W470 HydrophobicContact CG-CH2 4.12Å; A445-W470 HydrophobicContact CB-CH2 4.01Å; A445-W470 HydrophobicContact CB-CZ3 3.67Å; E461-W470 HydrophobicContact CB-CE3 3.66Å; E461-W470 HydrophobicContact CB-CZ3 4.22Å; Q462-W470 CarbonylContact O-C 3.55Å; Q462-W470 VanDerWaalsContact O-CA 3.32Å; Q462-W470 WeakPolarHBondContact O-CA 3.03Å; Y463-W470 AromaticContact CD2-CD1 3.7Å; Y463-W470 HydrophobicContact CD2-CD2 4.1Å; Y463-W470 AromaticContact CD2-CE2 3.7Å; Y463-W470 HydrophobicContact CD2-CG 4.11Å; Y463-W470 HydrophobicContact CD2-CZ2 4.24Å; Y463-W470 AromaticContact CD2-NE1 3.43Å; Y463-W470 HydrophobicContact CG-CD2 4.26Å; Y463-W470 AromaticContact CG-CE2 3.85Å; Y463-W470 HydrophobicContact CG-CH2 4.48Å; Y463-W470 AromaticContact CG-CZ2 3.97Å; Y463-W470 HydrophobicContact CG-CZ2 3.97Å
471	T	98.6	Very high	97.9	Very high	69 Å²	69	48.4 Å²	48.4	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.9	175.9	56.8	0	0	0	0	111.1	E461 Q462	E461-T471 CarbonylContact C-O 3.56Å; E461-T471 VanDerWaalsContact CA-O 3.27Å; E461-T471 WeakPolarHBondContact CA-O 3.44Å; Q462-T471 PolarHBondContact N-O 2.82Å; Q462-T471 PolarHBondContact O-N 3.17Å
472	Y	98.8	Very high	97.9	Very high	116 Å²	116	48.7 Å²	48.7	46%	0.455	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.8	172.8	-68.4	-75.9	0	0	0	110.7	N428 T429 E461	N428-Y472 HydrophobicContact CB-CE2 3.72Å; N428-Y472 WeakPolarHBondContact CB-OH 3.32Å; T429-Y472 PolarHBondContact OG1-OH 2.95Å; E461-Y472 HydrophobicContact CG-CD1 3.57Å; E461-Y472 HydrophobicContact CG-CE1 3.56Å; E461-Y472 HydrophobicContact CG-CG 4.36Å
473	V	98.7	Very high	97.9	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-174.9	169.7	-61.6	0	0	0	0	109.4	V460 Q462 D475 Y510 N515	V460-V473 HydrophobicContact CB-CG2 3.66Å; V460-V473 HydrophobicContact CG1-CG2 3.56Å; V460-V473 PolarHBondContact O-N 3.07Å; Q462-V473 HydrophobicContact CB-CG1 3.7Å; V473-D475 PolarHBondContact O-N 2.93Å; V473-Y510 HydrophobicContact CG2-CE2 4.48Å; V473-N515 WeakPolarHBondContact CB-OD1 3.37Å
474	A	98.6	Very high	97.9	Very high	26 Å²	26	48 Å²	48	22%	0.215	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-55.3	135.4	-179.9	0	0	0	0	0	112.1	Y510 N515 W517	A474-Y510 HydrophobicContact CB-CE2 4.28Å; A474-N515 WeakPolarHBondContact CB-O 3.38Å; A474-N515 WeakPolarHBondContact CB-OD1 3.45Å; A474-N515 PolarHBondContact N-OD1 2.95Å; A474-W517 PolarHBondContact O-NE1 3.23Å
475	D	98.7	Very high	97.9	Very high	79 Å²	79	46.5 Å²	46.5	42%	0.422	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-69.2	146.1	174.5	-83.8	27.1	0	0	0	111	S458 T459 V473	S458-D475 PolarHBondContact OG-OD2 3.02Å; T459-D475 WeakPolarHBondContact CA-OD1 3.41Å; T459-D475 WeakPolarHBondContact CG2-OD2 3.47Å; V473-D475 PolarHBondContact O-N 2.93Å
476	M	98.6	Very high	98.1	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.03	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.5	155.7	166.1	-64.9	177.8	-68	0	0	110.3	V446 S458 V460 T478 R480 A494 W517	V446-M476 HydrophobicContact CG1-CE 3.82Å; V446-M476 HydrophobicContact CG1-SD 3.48Å; V446-M476 WeakPolarHBondContact CG1-SD 3.28Å; S458-M476 WeakPolarHBondContact O-CE 3.26Å; S458-M476 PolarHBondContact O-N 3.08Å; V460-M476 HydrophobicContact CG2-CE 4.42Å; V460-M476 HydrophobicContact CG2-CG 4.09Å; M476-T478 PolarHBondContact O-N 3.31Å; M476-R480 HydrophobicContact CE-CB 4.19Å; M476-R480 HydrophobicContact CE-CG 4.38Å; M476-R480 HydrophobicContact SD-CG 4.43Å; M476-A494 HydrophobicContact SD-CB 3.76Å; M476-W517 HydrophobicContact CG-CD2 3.83Å; M476-W517 HydrophobicContact CG-CE3 4.11Å; M476-W517 HydrophobicContact CG-CG 4.49Å; M476-W517 HydrophobicContact CG-CH2 3.98Å; M476-W517 HydrophobicContact CG-CZ2 3.7Å; M476-W517 HydrophobicContact CG-CZ3 4.17Å; M476-W517 HydrophobicContact SD-CH2 4.25Å; M476-W517 HydrophobicContact SD-CZ2 4.42Å
477	S	97.4	Very high	98.2	Very high	86 Å²	86	43 Å²	43	60%	0.601	24%	0.236	S	C	*	.	S	Bend	trans	-66.8	-22.1	177.8	67.7	0	0	0	0	113.1	E508	S477-E508 WeakPolarHBondContact CB-OE2 3.38Å; S477-E508 PolarHBondContact N-OE2 2.97Å; S477-E508 PolarHBondContact OG-OE1 2.74Å; S477-E508 PolarHBondContact OG-OE2 3.25Å
478	T	95.4	Very high	98.1	Very high	37 Å²	37	40 Å²	40	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	-136.8	153.3	-179.9	61.2	0	0	0	0	112.4	M476 R480 E508	M476-T478 PolarHBondContact O-N 3.31Å; T478-R480 PolarHBondContact OG1-NE 3.26Å; T478-R480 PolarHBondContact OG1-NH2 3.39Å; T478-E508 PolarHBondContact OG1-OE1 3.11Å
479	R	98.3	Very high	97.6	Very high	96 Å²	96	41 Å²	41	36%	0.362	23%	0.229	S	C	.	.			trans	-70.6	135.1	174	-65.2	171	-174.7	-80.2	-5.3	110.3	C456 D499 R504	C456-R479 HydrophobicContact CB-CB 4Å; C456-R479 VanDerWaalsContact O-CD 3.22Å; C456-R479 WeakPolarHBondContact O-CD 3.49Å; C456-R479 WeakPolarHBondContact O-CG 3.2Å; C456-R479 PolarHBondContact O-NH1 2.91Å; R479-D499 HydrophobicContact CB-CB 4.36Å; R479-R504 PolarHBondContact O-NE 2.82Å
480	R	98.2	Very high	97.2	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	22%	0.221	C	C	.	.			trans	-141.9	111.5	-179	-54.4	177.5	-179.6	-95.2	1	110.9	G447 G448 L457 M476 T478 A483 G496 S506 E508	G447-R480 WeakPolarHBondContact CA-O 3.33Å; G448-R480 PolarHBondContact N-O 3.08Å; L457-R480 PolarHBondContact O-N 3.48Å; M476-R480 HydrophobicContact CE-CB 4.19Å; M476-R480 HydrophobicContact CE-CG 4.38Å; M476-R480 HydrophobicContact SD-CG 4.43Å; T478-R480 PolarHBondContact OG1-NE 3.26Å; T478-R480 PolarHBondContact OG1-NH2 3.39Å; R480-A483 HydrophobicContact CB-CB 4Å; R480-G496 PolarHBondContact NH1-O 2.53Å; R480-S506 PolarHBondContact NH1-O 2.73Å; R480-S506 PolarHBondContact NH1-OG 3.27Å; R480-S506 PolarHBondContact NH2-OG 2.74Å; R480-E508 IonicContact CZ-OE1 2.76Å; R480-E508 IonicContact NE-OE1 2.72Å; R480-E508 PolarHBondContact NE-OE1 2.95Å; R480-E508 IonicContact NH2-OE1 2.72Å; R480-E508 PolarHBondContact NH2-OE1 3.47Å
481	S	98.5	Very high	97	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.021	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-100.6	144	162.4	-170.8	0	0	0	0	109.9	S433 A483 G497 H498	S433-S481 WeakPolarHBondContact CB-OG 3.47Å; S481-A483 PolarHBondContact O-N 3.16Å; S481-G497 CarbonylContact O-C 3.56Å; S481-G497 VanDerWaalsContact O-CA 3.23Å; S481-G497 WeakPolarHBondContact O-CA 3.47Å; S481-H498 PolarHBondContact N-O 2.86Å; S481-H498 PolarHBondContact O-CD2 2.6Å; S481-H498 PolarHBondContact O-N 2.84Å
482	G	98.1	Very high	97	Very high	5 Å²	5	36.2 Å²	36.2	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	62.1	30.8	-177.1	0	0	0	0	0	113.2	S433 N529	S433-G482 PolarHBondContact O-N 3.42Å; G482-N529 PolarHBondContact O-N 3.42Å
483	A	98.4	Very high	97	Very high	10 Å²	10	30.9 Å²	30.9	8%	0.083	19%	0.191	C	C	.	.			trans	-67.3	140.4	172.8	0	0	0	0	0	110.1	R480 S481 V485	R480-A483 HydrophobicContact CB-CB 4Å; S481-A483 PolarHBondContact O-N 3.16Å; A483-V485 HydrophobicContact CB-CG2 4.3Å; A483-V485 PolarHBondContact O-N 3.19Å
484	G	98.4	Very high	97	Very high	4 Å²	4	30 Å²	30	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.6	166.4	0	0	0	0	0	109	T495	G484-T495 WeakPolarHBondContact CA-OG1 3.45Å; G484-T495 PolarHBondContact N-O 3.34Å; G484-T495 PolarHBondContact O-N 3.32Å; G484-T495 PolarHBondContact O-OG1 3.23Å
485	V	98.7	Very high	97	Very high	17 Å²	17	28.9 Å²	28.9	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.5	-177.2	176.3	0	0	0	0	109.9	V446 A483 L492 Y493	V446-V485 HydrophobicContact CB-CG2 3.97Å; V446-V485 HydrophobicContact CG1-CG2 4.21Å; V446-V485 HydrophobicContact CG2-CG1 4.11Å; V446-V485 HydrophobicContact CG2-CG2 4.37Å; A483-V485 HydrophobicContact CB-CG2 4.3Å; A483-V485 PolarHBondContact O-N 3.19Å; V485-L492 HydrophobicContact CG1-CD1 3.57Å; V485-L492 HydrophobicContact CG1-CG 4.25Å; V485-Y493 VanDerWaalsContact CA-O 3.3Å; V485-Y493 WeakPolarHBondContact CA-O 3.48Å
486	G	98	Very high	97	Very high	8 Å²	8	25.1 Å²	25.1	8%	0.082	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.4	178.2	0	0	0	0	0	111.7	Y493	G486-Y493 PolarHBondContact N-O 3.2Å; G486-Y493 PolarHBondContact O-N 3.46Å
487	V	97.6	Very high	96.9	Very high	45 Å²	45	24.8 Å²	24.8	27%	0.273	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.8	-177	176.2	0	0	0	0	108.9	V439 Q491 L492 A534	V439-V487 HydrophobicContact CG2-CB 4.41Å; V439-V487 HydrophobicContact CG2-CG1 3.8Å; V439-V487 HydrophobicContact CG2-CG2 3.68Å; V487-Q491 WeakPolarHBondContact CA-O 3.43Å; V487-L492 HydrophobicContact CG2-CD1 3.71Å; V487-A534 WeakPolarHBondContact O-CB 3.5Å
488	L	95.1	Very high	97	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.1	177.4	177.8	66.3	0	0	0	109.4	G490 Q491 Y493 A534 G537 L539 P559	L488-G490 VanDerWaalsContact C-N 3.32Å; L488-G490 PolarHBondContact O-N 2.99Å; L488-Q491 PolarHBondContact N-O 3.41Å; L488-Q491 PolarHBondContact O-N 3.34Å; L488-Q491 VanDerWaalsContact O-N 3.07Å; L488-Y493 HydrophobicContact CB-CD2 4.1Å; L488-Y493 HydrophobicContact CB-CE2 3.7Å; L488-A534 HydrophobicContact CD1-CB 4.29Å; L488-G537 VanDerWaalsContact CD1-C 3.48Å; L488-L539 HydrophobicContact CD2-CB 4.03Å; L488-P559 HydrophobicContact CD2-CB 4.29Å; L488-P559 HydrophobicContact CD2-CG 3.69Å
489	S	88.4	Confident	97.1	Very high	95 Å²	95	23 Å²	23	66%	0.664	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	46	178	-55.8	0	0	0	0	113.7	Q491	S489-Q491 PolarHBondContact O-N 3.18Å
490	G	89.8	Confident	96.9	Very high	35 Å²	35	20.3 Å²	20.3	36%	0.361	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9.8	178.4	0	0	0	0	0	114.9	V439 L488	V439-G490 WeakPolarHBondContact CG1-O 3.26Å; L488-G490 VanDerWaalsContact C-N 3.32Å; L488-G490 PolarHBondContact O-N 2.99Å
491	Q	94.1	Very high	96.6	Very high	63 Å²	63	26.2 Å²	26.2	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.7	178.3	-68.2	176.9	84.7	0	0	111.2	V487 L488 S489 Y493 V509	V487-Q491 WeakPolarHBondContact CA-O 3.43Å; L488-Q491 PolarHBondContact N-O 3.41Å; L488-Q491 PolarHBondContact O-N 3.34Å; L488-Q491 VanDerWaalsContact O-N 3.07Å; S489-Q491 PolarHBondContact O-N 3.18Å; Q491-Y493 HydrophobicContact CB-CE2 3.93Å; Q491-V509 HydrophobicContact CB-CG2 3.59Å; Q491-V509 HydrophobicContact CG-CG2 4.29Å
492	L	98.3	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.4	-177.4	-176.8	72.1	0	0	0	110	V439 Y444 V446 V485 V487 V509 Y510 W517	V439-L492 HydrophobicContact CG2-CB 4.13Å; V439-L492 HydrophobicContact CG2-CD1 4.46Å; Y444-L492 HydrophobicContact CD1-CD2 4.27Å; Y444-L492 HydrophobicContact CG-CD2 3.91Å; V446-L492 HydrophobicContact CG2-CD2 3.54Å; V446-L492 HydrophobicContact CG2-CG 4.32Å; V485-L492 HydrophobicContact CG1-CD1 3.57Å; V485-L492 HydrophobicContact CG1-CG 4.25Å; V487-L492 HydrophobicContact CG2-CD1 3.71Å; L492-V509 CarbonylContact O-C 3.53Å; L492-V509 WeakPolarHBondContact O-CA 3.42Å; L492-Y510 HydrophobicContact CB-CD1 4.32Å; L492-Y510 HydrophobicContact CD2-CD1 4.42Å; L492-Y510 PolarHBondContact N-O 2.76Å; L492-Y510 VanDerWaalsContact N-O 3.1Å; L492-Y510 PolarHBondContact O-N 3.08Å; L492-W517 HydrophobicContact CD2-CH2 4.39Å
493	Y	98.8	Very high	96.6	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.9	-178.1	-70.2	-103.1	0	0	0	110.3	V485 G486 L488 Q491 V507 E508 V509 L539 Y557	V485-Y493 VanDerWaalsContact CA-O 3.3Å; V485-Y493 WeakPolarHBondContact CA-O 3.48Å; G486-Y493 PolarHBondContact N-O 3.2Å; G486-Y493 PolarHBondContact O-N 3.46Å; L488-Y493 HydrophobicContact CB-CD2 4.1Å; L488-Y493 HydrophobicContact CB-CE2 3.7Å; Q491-Y493 HydrophobicContact CB-CE2 3.93Å; Y493-V507 HydrophobicContact CD1-CG1 4.38Å; Y493-E508 WeakPolarHBondContact CA-O 3.06Å; Y493-V509 HydrophobicContact CD1-CB 3.93Å; Y493-V509 HydrophobicContact CD1-CG2 3.99Å; Y493-V509 HydrophobicContact CD2-CG2 4.01Å; Y493-V509 HydrophobicContact CE1-CB 3.78Å; Y493-V509 HydrophobicContact CE1-CG2 3.67Å; Y493-V509 HydrophobicContact CE2-CG2 3.66Å; Y493-V509 HydrophobicContact CG-CB 4.43Å; Y493-V509 HydrophobicContact CG-CG2 4.15Å; Y493-L539 HydrophobicContact CD1-CD2 4.06Å; Y493-L539 HydrophobicContact CD2-CD2 4.34Å; Y493-L539 HydrophobicContact CG-CD2 3.74Å; Y493-Y557 HydrophobicContact CD1-CE1 4.42Å; Y493-Y557 AromaticContact CE1-CD1 3.98Å; Y493-Y557 HydrophobicContact CE1-CD1 3.98Å; Y493-Y557 AromaticContact CE1-CE1 3.53Å; Y493-Y557 HydrophobicContact CE1-CE1 3.53Å
494	A	98.8	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.1	171.5	0	0	0	0	0	109.3	V446 M476 V507 E508 W517	V446-A494 HydrophobicContact CG1-CB 4.15Å; M476-A494 HydrophobicContact SD-CB 3.76Å; A494-V507 WeakPolarHBondContact O-CA 3.41Å; A494-E508 PolarHBondContact N-O 2.79Å; A494-E508 PolarHBondContact O-N 2.84Å; A494-E508 VanDerWaalsContact O-N 3.08Å; A494-W517 HydrophobicContact CB-CH2 3.96Å; A494-W517 HydrophobicContact CB-CZ3 3.72Å
495	T	98.7	Very high	96.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.3	-175.5	64.7	0	0	0	0	110.8	G484 G497 V507 L539 V541 W564	G484-T495 WeakPolarHBondContact CA-OG1 3.45Å; G484-T495 PolarHBondContact N-O 3.34Å; G484-T495 PolarHBondContact O-N 3.32Å; G484-T495 PolarHBondContact O-OG1 3.23Å; T495-G497 PolarHBondContact O-N 2.88Å; T495-V507 HydrophobicContact CG2-CG1 3.7Å; T495-V507 HydrophobicContact CG2-CG2 4.11Å; T495-L539 HydrophobicContact CG2-CD2 4.07Å; T495-V541 HydrophobicContact CG2-CG2 4.02Å; T495-W564 HydrophobicContact CG2-CH2 3.95Å; T495-W564 HydrophobicContact CG2-CZ2 4.15Å
496	G	98.5	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.			trans	57.2	-127.9	172.9	0	0	0	0	0	114.2	R480 R504 S506 R527	R480-G496 PolarHBondContact NH1-O 2.53Å; G496-R504 VanDerWaalsContact CA-O 3.31Å; G496-R504 WeakPolarHBondContact CA-O 3.4Å; G496-S506 PolarHBondContact N-O 3.02Å; G496-R527 CarbonylContact C-O 3.55Å; G496-R527 WeakPolarHBondContact CA-O 3.35Å
497	G	98.5	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.22	C	C	.	.			trans	82.7	-169.4	-170.7	0	0	0	0	0	112.1	S481 T495 R504 R527	S481-G497 CarbonylContact O-C 3.56Å; S481-G497 VanDerWaalsContact O-CA 3.23Å; S481-G497 WeakPolarHBondContact O-CA 3.47Å; T495-G497 PolarHBondContact O-N 2.88Å; G497-R504 WeakPolarHBondContact O-CB 3.3Å; G497-R504 PolarHBondContact O-N 3.1Å; G497-R527 PolarHBondContact N-O 3.09Å
498	H	98.5	Very high	96.6	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.148	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.2	-178.2	75.3	98.8	0	0	0	113.5	S481 G500 L502 V503 R528	S481-H498 PolarHBondContact N-O 2.86Å; S481-H498 PolarHBondContact O-CD2 2.6Å; S481-H498 PolarHBondContact O-N 2.84Å; H498-G500 PolarHBondContact ND1-O 3.22Å; H498-L502 CarbonylContact C-O 3.54Å; H498-L502 WeakPolarHBondContact CA-O 3.48Å; H498-L502 VanDerWaalsContact CB-O 3.25Å; H498-L502 WeakPolarHBondContact CB-O 3.5Å; H498-V503 HydrophobicContact CB-CG2 4.26Å; H498-R528 HydrophobicContact CB-CB 4.48Å; H498-R528 VanDerWaalsContact CD2-CD 3.44Å; H498-R528 WeakPolarHBondContact CD2-CD 3.32Å
499	D	97.5	Very high	96.8	Very high	53 Å²	53	34.6 Å²	34.6	28%	0.283	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	103	168.6	-172	11.4	0	0	0	108.6	R479 L502 R504	R479-D499 HydrophobicContact CB-CB 4.36Å; D499-L502 PolarHBondContact N-O 3.04Å; D499-L502 PolarHBondContact O-N 2.82Å; D499-L502 VanDerWaalsContact O-N 3.16Å; D499-R504 IonicContact OD2-NH2 3.77Å
500	G	93.1	Very high	97.3	Very high	40 Å²	40	30.2 Å²	30.2	41%	0.412	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-125.5	-166.7	0	0	0	0	0	111.4	H498 L502	H498-G500 PolarHBondContact ND1-O 3.22Å; G500-L502 VanDerWaalsContact C-N 3.35Å
501	P	93.4	Very high	97.6	Very high	125 Å²	125	31.1 Å²	31.1	81%	0.812	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.8	179.5	31.7	-34.8	0	0	0	114.2	V503	P501-V503 PolarHBondContact O-N 2.96Å
502	L	96.8	Very high	97.6	Very high	102 Å²	102	29.2 Å²	29.2	53%	0.534	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	109.1	-174.4	179.3	65.9	0	0	0	111	H498 D499 G500	H498-L502 CarbonylContact C-O 3.54Å; H498-L502 WeakPolarHBondContact CA-O 3.48Å; H498-L502 VanDerWaalsContact CB-O 3.25Å; H498-L502 WeakPolarHBondContact CB-O 3.5Å; D499-L502 PolarHBondContact N-O 3.04Å; D499-L502 PolarHBondContact O-N 2.82Å; D499-L502 VanDerWaalsContact O-N 3.16Å; G500-L502 VanDerWaalsContact C-N 3.35Å
503	V	98.3	Very high	97.4	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.085	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.1	172.1	-171.6	0	0	0	0	110.3	H498 P501 C526 R528 D546	H498-V503 HydrophobicContact CB-CG2 4.26Å; P501-V503 PolarHBondContact O-N 2.96Å; V503-C526 HydrophobicContact CB-CB 4.27Å; V503-C526 HydrophobicContact CG1-CB 3.94Å; V503-R528 HydrophobicContact CG1-CB 4.13Å; V503-R528 HydrophobicContact CG1-CG 4.03Å; V503-R528 HydrophobicContact CG2-CG 4.28Å; V503-D546 WeakPolarHBondContact CG2-O 3.39Å
504	R	97.9	Very high	97.2	Very high	40 Å²	40	36 Å²	36	15%	0.151	22%	0.222	C	C	.	.			trans	-102.4	149.9	-172.9	-60.1	178.2	-176	-75.3	-4.7	111.1	R479 G496 G497 D499 R527	R479-R504 PolarHBondContact O-NE 2.82Å; G496-R504 VanDerWaalsContact CA-O 3.31Å; G496-R504 WeakPolarHBondContact CA-O 3.4Å; G497-R504 WeakPolarHBondContact O-CB 3.3Å; G497-R504 PolarHBondContact O-N 3.1Å; D499-R504 IonicContact OD2-NH2 3.77Å; R504-R527 PolarHBondContact O-N 3.11Å
505	K	98.3	Very high	97.2	Very high	90 Å²	90	39.5 Å²	39.5	39%	0.391	24%	0.241	S	C	.	.			trans	-110.9	-10.9	163.3	64.6	177.4	-170.8	166.7	0	112.9	D522 M523 M525	K505-D522 HydrophobicContact CD-CB 4.3Å; K505-D522 WeakPolarHBondContact CE-OD2 3.29Å; K505-D522 HydrophobicContact CG-CB 4.14Å; K505-M523 HydrophobicContact CB-CB 4.29Å; K505-M523 WeakPolarHBondContact O-CB 3.47Å; K505-M523 PolarHBondContact O-N 2.88Å; K505-M525 WeakPolarHBondContact CB-O 3.37Å
506	S	98.6	Very high	97.1	Very high	18 Å²	18	42.9 Å²	42.9	13%	0.126	26%	0.261	C	S	.	.			trans	-67.7	151.5	-179.1	62.2	0	0	0	0	111.5	R480 G496 D522	R480-S506 PolarHBondContact NH1-O 2.73Å; R480-S506 PolarHBondContact NH1-OG 3.27Å; R480-S506 PolarHBondContact NH2-OG 2.74Å; G496-S506 PolarHBondContact N-O 3.02Å; S506-D522 VanDerWaalsContact CA-OD1 3.28Å; S506-D522 WeakPolarHBondContact CA-OD1 3.47Å; S506-D522 WeakPolarHBondContact CB-OD1 3.43Å
507	V	98.8	Very high	97.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.7	-176.3	-175.4	0	0	0	0	109.2	Y493 A494 T495 Q519 V520 M523 W564	Y493-V507 HydrophobicContact CD1-CG1 4.38Å; A494-V507 WeakPolarHBondContact O-CA 3.41Å; T495-V507 HydrophobicContact CG2-CG1 3.7Å; T495-V507 HydrophobicContact CG2-CG2 4.11Å; V507-Q519 WeakPolarHBondContact O-CA 3.5Å; V507-V520 HydrophobicContact CB-CG2 3.67Å; V507-V520 HydrophobicContact CG1-CG2 3.54Å; V507-V520 PolarHBondContact O-N 2.86Å; V507-M523 HydrophobicContact CG2-CG 3.79Å; V507-M523 HydrophobicContact CG2-SD 4.46Å; V507-W564 HydrophobicContact CB-CZ2 4.45Å; V507-W564 HydrophobicContact CG1-CZ2 4.25Å; V507-W564 HydrophobicContact CG2-CZ2 3.7Å
508	E	98.6	Very high	97.1	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.7	175.8	-56.4	173.7	-106.8	0	0	108.8	S477 T478 R480 Y493 A494 W517 K518	S477-E508 WeakPolarHBondContact CB-OE2 3.38Å; S477-E508 PolarHBondContact N-OE2 2.97Å; S477-E508 PolarHBondContact OG-OE1 2.74Å; S477-E508 PolarHBondContact OG-OE2 3.25Å; T478-E508 PolarHBondContact OG1-OE1 3.11Å; R480-E508 IonicContact CZ-OE1 2.76Å; R480-E508 IonicContact NE-OE1 2.72Å; R480-E508 PolarHBondContact NE-OE1 2.95Å; R480-E508 IonicContact NH2-OE1 2.72Å; R480-E508 PolarHBondContact NH2-OE1 3.47Å; Y493-E508 WeakPolarHBondContact CA-O 3.06Å; A494-E508 PolarHBondContact N-O 2.79Å; A494-E508 PolarHBondContact O-N 2.84Å; A494-E508 VanDerWaalsContact O-N 3.08Å; E508-W517 HydrophobicContact CB-CE3 3.62Å; E508-W517 HydrophobicContact CB-CZ3 4.13Å; E508-K518 CarbonylContact C-O 3.53Å; E508-K518 WeakPolarHBondContact CA-O 3.08Å
509	V	98.7	Very high	97.1	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.6	174.8	66	0	0	0	0	109.3	Q491 L492 Y493 W517 K518 V520	Q491-V509 HydrophobicContact CB-CG2 3.59Å; Q491-V509 HydrophobicContact CG-CG2 4.29Å; L492-V509 CarbonylContact O-C 3.53Å; L492-V509 WeakPolarHBondContact O-CA 3.42Å; Y493-V509 HydrophobicContact CD1-CB 3.93Å; Y493-V509 HydrophobicContact CD1-CG2 3.99Å; Y493-V509 HydrophobicContact CD2-CG2 4.01Å; Y493-V509 HydrophobicContact CE1-CB 3.78Å; Y493-V509 HydrophobicContact CE1-CG2 3.67Å; Y493-V509 HydrophobicContact CE2-CG2 3.66Å; Y493-V509 HydrophobicContact CG-CB 4.43Å; Y493-V509 HydrophobicContact CG-CG2 4.15Å; V509-W517 CarbonylContact O-C 3.56Å; V509-W517 WeakPolarHBondContact O-CA 3.49Å; V509-K518 HydrophobicContact CG1-CB 4.27Å; V509-K518 PolarHBondContact N-O 2.96Å; V509-K518 PolarHBondContact O-N 2.99Å; V509-V520 HydrophobicContact CB-CG1 4.27Å; V509-V520 HydrophobicContact CG1-CG1 3.65Å
510	Y	98.8	Very high	97.2	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.5	176.4	176.1	-104.7	0	0	0	110.6	Y444 V473 A474 L492 P512 N515 T516 W517	Y444-Y510 HydrophobicContact CD1-CE1 4.3Å; Y444-Y510 HydrophobicContact CE1-CD1 4.43Å; Y444-Y510 AromaticContact CE1-CE1 3.67Å; Y444-Y510 HydrophobicContact CE1-CE1 3.67Å; V473-Y510 HydrophobicContact CG2-CE2 4.48Å; A474-Y510 HydrophobicContact CB-CE2 4.28Å; L492-Y510 HydrophobicContact CB-CD1 4.32Å; L492-Y510 HydrophobicContact CD2-CD1 4.42Å; L492-Y510 PolarHBondContact N-O 2.76Å; L492-Y510 VanDerWaalsContact N-O 3.1Å; L492-Y510 PolarHBondContact O-N 3.08Å; Y510-P512 HydrophobicContact CE1-CB 3.95Å; Y510-N515 WeakPolarHBondContact CE2-OD1 3.26Å; Y510-N515 PolarHBondContact OH-OD1 3.33Å; Y510-T516 WeakPolarHBondContact CA-O 3.49Å; Y510-T516 WeakPolarHBondContact CD2-O 3.4Å; Y510-W517 AromaticContact CD2-CD1 3.74Å; Y510-W517 HydrophobicContact CD2-CD2 4.05Å; Y510-W517 AromaticContact CD2-CE2 3.63Å; Y510-W517 HydrophobicContact CD2-CG 4.1Å; Y510-W517 HydrophobicContact CD2-CZ2 4.12Å; Y510-W517 AromaticContact CD2-NE1 3.42Å; Y510-W517 HydrophobicContact CG-CD2 4.3Å; Y510-W517 AromaticContact CG-CE2 3.87Å; Y510-W517 HydrophobicContact CG-CH2 4.43Å; Y510-W517 AromaticContact CG-CZ2 3.92Å; Y510-W517 HydrophobicContact CG-CZ2 3.92Å
511	D	96.7	Very high	97.4	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.1	171.6	172.4	8.1	0	0	0	109.1	G513 T514 N515 T516	D511-G513 VanDerWaalsContact C-N 3.27Å; D511-G513 PolarHBondContact O-N 3.21Å; D511-G513 PolarHBondContact OD1-N 2.8Å; D511-T514 WeakPolarHBondContact CB-OG1 3.29Å; D511-T514 VanDerWaalsContact OD2-CG2 3.25Å; D511-T514 WeakPolarHBondContact OD2-CG2 3.37Å; D511-T514 PolarHBondContact OD2-OG1 3.44Å; D511-N515 WeakPolarHBondContact O-CA 3.5Å; D511-N515 PolarHBondContact O-N 3Å; D511-T516 PolarHBondContact N-O 2.98Å; D511-T516 PolarHBondContact O-N 2.84Å
512	P	93.6	Very high	97.7	Very high	24 Å²	24	50.3 Å²	50.3	16%	0.156	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.9	179.5	31.4	-38	0	0	0	113.2	V439 Y444 Y510	V439-P512 HydrophobicContact CG1-CG 3.83Å; Y444-P512 WeakPolarHBondContact OH-CB 3.3Å; Y510-P512 HydrophobicContact CE1-CB 3.95Å
513	G	93.9	Very high	97.8	Very high	67 Å²	67	45.6 Å²	45.6	69%	0.691	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-36	-179.4	0	0	0	0	0	112.2	D511	D511-G513 VanDerWaalsContact C-N 3.27Å; D511-G513 PolarHBondContact O-N 3.21Å; D511-G513 PolarHBondContact OD1-N 2.8Å
514	T	95.9	Very high	97.7	Very high	81 Å²	81	49 Å²	49	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.2	176.5	58.3	0	0	0	0	113.6	D511 T516	D511-T514 WeakPolarHBondContact CB-OG1 3.29Å; D511-T514 VanDerWaalsContact OD2-CG2 3.25Å; D511-T514 WeakPolarHBondContact OD2-CG2 3.37Å; D511-T514 PolarHBondContact OD2-OG1 3.44Å; T514-T516 VanDerWaalsContact C-N 3.31Å; T514-T516 WeakPolarHBondContact O-CG2 3.44Å; T514-T516 PolarHBondContact O-N 3.04Å; T514-T516 PolarHBondContact OG1-OG1 2.87Å
515	N	97.7	Very high	97.6	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	48.4	-171.2	-173.5	35.8	0	0	0	111.7	V473 A474 Y510 D511	V473-N515 WeakPolarHBondContact CB-OD1 3.37Å; A474-N515 WeakPolarHBondContact CB-O 3.38Å; A474-N515 WeakPolarHBondContact CB-OD1 3.45Å; A474-N515 PolarHBondContact N-OD1 2.95Å; Y510-N515 WeakPolarHBondContact CE2-OD1 3.26Å; Y510-N515 PolarHBondContact OH-OD1 3.33Å; D511-N515 WeakPolarHBondContact O-CA 3.5Å; D511-N515 PolarHBondContact O-N 3Å
516	T	98.3	Very high	97.6	Very high	73 Å²	73	48 Å²	48	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.7	-179.8	64.5	0	0	0	0	112.6	Y510 D511 T514	Y510-T516 WeakPolarHBondContact CA-O 3.49Å; Y510-T516 WeakPolarHBondContact CD2-O 3.4Å; D511-T516 PolarHBondContact N-O 2.98Å; D511-T516 PolarHBondContact O-N 2.84Å; T514-T516 VanDerWaalsContact C-N 3.31Å; T514-T516 WeakPolarHBondContact O-CG2 3.44Å; T514-T516 PolarHBondContact O-N 3.04Å; T514-T516 PolarHBondContact OG1-OG1 2.87Å
517	W	98.8	Very high	97.6	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.7	170.3	-71.8	90.4	0	0	0	110.3	V446 V460 A474 M476 L492 A494 E508 V509 Y510	V446-W517 HydrophobicContact CG1-CH2 4.07Å; V446-W517 HydrophobicContact CG1-CZ2 4.36Å; V460-W517 HydrophobicContact CG1-CZ2 4.49Å; V460-W517 HydrophobicContact CG2-CZ2 3.79Å; A474-W517 PolarHBondContact O-NE1 3.23Å; M476-W517 HydrophobicContact CG-CD2 3.83Å; M476-W517 HydrophobicContact CG-CE3 4.11Å; M476-W517 HydrophobicContact CG-CG 4.49Å; M476-W517 HydrophobicContact CG-CH2 3.98Å; M476-W517 HydrophobicContact CG-CZ2 3.7Å; M476-W517 HydrophobicContact CG-CZ3 4.17Å; M476-W517 HydrophobicContact SD-CH2 4.25Å; M476-W517 HydrophobicContact SD-CZ2 4.42Å; L492-W517 HydrophobicContact CD2-CH2 4.39Å; A494-W517 HydrophobicContact CB-CH2 3.96Å; A494-W517 HydrophobicContact CB-CZ3 3.72Å; E508-W517 HydrophobicContact CB-CE3 3.62Å; E508-W517 HydrophobicContact CB-CZ3 4.13Å; V509-W517 CarbonylContact O-C 3.56Å; V509-W517 WeakPolarHBondContact O-CA 3.49Å; Y510-W517 AromaticContact CD2-CD1 3.74Å; Y510-W517 HydrophobicContact CD2-CD2 4.05Å; Y510-W517 AromaticContact CD2-CE2 3.63Å; Y510-W517 HydrophobicContact CD2-CG 4.1Å; Y510-W517 HydrophobicContact CD2-CZ2 4.12Å; Y510-W517 AromaticContact CD2-NE1 3.42Å; Y510-W517 HydrophobicContact CG-CD2 4.3Å; Y510-W517 AromaticContact CG-CE2 3.87Å; Y510-W517 HydrophobicContact CG-CH2 4.43Å; Y510-W517 AromaticContact CG-CZ2 3.92Å; Y510-W517 HydrophobicContact CG-CZ2 3.92Å
518	K	98.1	Very high	97.6	Very high	149 Å²	149	49.4 Å²	49.4	65%	0.648	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	173.6	-176.4	-175	171.3	-170.6	0	110	E508 V509	E508-K518 CarbonylContact C-O 3.53Å; E508-K518 WeakPolarHBondContact CA-O 3.08Å; V509-K518 HydrophobicContact CG1-CB 4.27Å; V509-K518 PolarHBondContact N-O 2.96Å; V509-K518 PolarHBondContact O-N 2.99Å
519	Q	98.3	Very high	97.6	Very high	112 Å²	112	49.8 Å²	49.8	52%	0.523	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.7	171.2	-171.9	170.3	0.6	0	0	110.5	V507 D522	V507-Q519 WeakPolarHBondContact O-CA 3.5Å; Q519-D522 PolarHBondContact NE2-OD1 3.31Å
520	V	98.4	Very high	97.6	Very high	17 Å²	17	50 Å²	50	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-178.6	171.5	-61.1	0	0	0	0	109.2	V507 V509 D522 Y557	V507-V520 HydrophobicContact CB-CG2 3.67Å; V507-V520 HydrophobicContact CG1-CG2 3.54Å; V507-V520 PolarHBondContact O-N 2.86Å; V509-V520 HydrophobicContact CB-CG1 4.27Å; V509-V520 HydrophobicContact CG1-CG1 3.65Å; V520-D522 PolarHBondContact O-N 2.97Å; V520-Y557 HydrophobicContact CB-CE2 4.45Å; V520-Y557 HydrophobicContact CG2-CE2 4.37Å
521	A	98.4	Very high	97.6	Very high	27 Å²	27	50.1 Å²	50.1	22%	0.223	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-51.5	138.2	179.1	0	0	0	0	0	112.4	D562 W564	A521-D562 WeakPolarHBondContact CB-O 3.47Å; A521-D562 VanDerWaalsContact CB-OD1 3.26Å; A521-D562 WeakPolarHBondContact CB-OD1 3.48Å; A521-D562 PolarHBondContact N-OD1 3.23Å; A521-W564 PolarHBondContact O-NE1 3.24Å
522	D	98.8	Very high	97.6	Very high	65 Å²	65	48.7 Å²	48.7	35%	0.348	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.4	144.1	173.9	-77.7	5.2	0	0	0	110.6	K505 S506 Q519 V520 W564	K505-D522 HydrophobicContact CD-CB 4.3Å; K505-D522 WeakPolarHBondContact CE-OD2 3.29Å; K505-D522 HydrophobicContact CG-CB 4.14Å; S506-D522 VanDerWaalsContact CA-OD1 3.28Å; S506-D522 WeakPolarHBondContact CA-OD1 3.47Å; S506-D522 WeakPolarHBondContact CB-OD1 3.43Å; Q519-D522 PolarHBondContact NE2-OD1 3.31Å; V520-D522 PolarHBondContact O-N 2.97Å; D522-W564 VanDerWaalsContact C-CD1 3.47Å
523	M	98.6	Very high	97.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-59	159.5	167.9	-69.7	-177.9	-60.4	0	0	111.2	K505 V507 M525 R527 V541 E555 W564	K505-M523 HydrophobicContact CB-CB 4.29Å; K505-M523 WeakPolarHBondContact O-CB 3.47Å; K505-M523 PolarHBondContact O-N 2.88Å; V507-M523 HydrophobicContact CG2-CG 3.79Å; V507-M523 HydrophobicContact CG2-SD 4.46Å; M523-M525 VanDerWaalsContact C-N 3.28Å; M523-M525 WeakPolarHBondContact CB-O 3.48Å; M523-M525 PolarHBondContact O-N 2.62Å; M523-R527 HydrophobicContact CE-CB 3.99Å; M523-R527 HydrophobicContact CE-CG 4.28Å; M523-R527 HydrophobicContact SD-CG 4.5Å; M523-V541 HydrophobicContact SD-CB 4.3Å; M523-V541 HydrophobicContact SD-CG1 4.06Å; M523-V541 HydrophobicContact SD-CG2 4.1Å; M523-E555 WeakPolarHBondContact CA-OE2 3.39Å; M523-E555 WeakPolarHBondContact CB-OE2 3.43Å; M523-W564 HydrophobicContact CB-CD2 4.44Å; M523-W564 HydrophobicContact CG-CD2 3.79Å; M523-W564 HydrophobicContact CG-CE3 4.04Å; M523-W564 HydrophobicContact CG-CG 4.43Å; M523-W564 HydrophobicContact CG-CH2 3.94Å; M523-W564 HydrophobicContact CG-CZ2 3.69Å; M523-W564 HydrophobicContact CG-CZ3 4.11Å; M523-W564 HydrophobicContact SD-CH2 4.26Å; M523-W564 HydrophobicContact SD-CZ2 4.47Å; M523-W564 HydrophobicContact SD-CZ3 4.47Å
524	N	97.8	Very high	97.9	Very high	85 Å²	85	47 Å²	47	46%	0.455	26%	0.257	S	S	.	.	S	Bend	trans	-65.7	-35	174.5	-65.2	-78.8	0	0	0	111.4	E555 W564	N524-E555 WeakPolarHBondContact CB-OE2 3.27Å; N524-E555 PolarHBondContact N-OE2 2.88Å; N524-E555 PolarHBondContact ND2-OE2 3.41Å; N524-W564 VanDerWaalsContact ND2-CB 3.32Å; N524-W564 WeakPolarHBondContact ND2-CB 3.41Å; N524-W564 PolarHBondContact ND2-O 3.47Å
525	M	95.4	Very high	97.7	Very high	64 Å²	64	43.4 Å²	43.4	32%	0.315	24%	0.235	S	C	.	.	S	Bend	trans	-123.7	151.1	-176.5	-55.5	-170.6	78.2	0	0	112	K505 M523 R527 L551 S553 E555	K505-M525 WeakPolarHBondContact CB-O 3.37Å; M523-M525 VanDerWaalsContact C-N 3.28Å; M523-M525 WeakPolarHBondContact CB-O 3.48Å; M523-M525 PolarHBondContact O-N 2.62Å; M525-R527 HydrophobicContact CB-CG 4.44Å; M525-R527 PolarHBondContact O-N 3.08Å; M525-L551 HydrophobicContact CB-CD1 4.45Å; M525-L551 HydrophobicContact CE-CD1 4.49Å; M525-L551 HydrophobicContact CE-CD2 3.7Å; M525-L551 HydrophobicContact SD-CD2 4.46Å; M525-S553 PolarHBondContact SD-OG 3.49Å; M525-S553 VanDerWaalsContact SD-OG 3.38Å; M525-E555 PolarHBondContact N-OE1 2.73Å
526	C	98.2	Very high	97.1	Very high	44 Å²	44	45.3 Å²	45.3	30%	0.297	25%	0.245	S	C	.	.			trans	-68.2	128.9	166.1	-69.5	0	0	0	0	109	V503 D546	V503-C526 HydrophobicContact CB-CB 4.27Å; V503-C526 HydrophobicContact CG1-CB 3.94Å; C526-D546 HydrophobicContact CB-CB 4.39Å; C526-D546 WeakPolarHBondContact O-CA 3.46Å; C526-D546 WeakPolarHBondContact O-CB 3.43Å
527	R	98.4	Very high	96.6	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.011	24%	0.244	C	C	.	.			trans	-139.3	130.7	-179.1	-58.3	-175.6	-177.6	-102.8	2	110.3	G496 G497 R504 M523 M525 A530 G543 L551 S553 E555	G496-R527 CarbonylContact C-O 3.55Å; G496-R527 WeakPolarHBondContact CA-O 3.35Å; G497-R527 PolarHBondContact N-O 3.09Å; R504-R527 PolarHBondContact O-N 3.11Å; M523-R527 HydrophobicContact CE-CB 3.99Å; M523-R527 HydrophobicContact CE-CG 4.28Å; M523-R527 HydrophobicContact SD-CG 4.5Å; M525-R527 HydrophobicContact CB-CG 4.44Å; M525-R527 PolarHBondContact O-N 3.08Å; R527-A530 HydrophobicContact CB-CB 4.34Å; R527-G543 PolarHBondContact NH1-O 2.87Å; R527-L551 HydrophobicContact CG-CD1 3.85Å; R527-S553 PolarHBondContact NH1-O 3.2Å; R527-S553 PolarHBondContact NH2-OG 3.36Å; R527-E555 IonicContact CZ-OE1 3.73Å; R527-E555 VanDerWaalsContact CZ-OE1 3.27Å; R527-E555 IonicContact NE-OE1 3.8Å; R527-E555 PolarHBondContact NE-OE1 2.69Å; R527-E555 IonicContact NH2-OE1 3.28Å; R527-E555 PolarHBondContact NH2-OE1 3.02Å
528	R	98.2	Very high	96.4	Very high	45 Å²	45	43.5 Å²	43.5	17%	0.17	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-124.6	159.7	158.1	59.7	169.8	-173.7	-126.1	-4.7	109.4	H498 V503 A530 G544 D545	H498-R528 HydrophobicContact CB-CB 4.48Å; H498-R528 VanDerWaalsContact CD2-CD 3.44Å; H498-R528 WeakPolarHBondContact CD2-CD 3.32Å; V503-R528 HydrophobicContact CG1-CB 4.13Å; V503-R528 HydrophobicContact CG1-CG 4.03Å; V503-R528 HydrophobicContact CG2-CG 4.28Å; R528-A530 PolarHBondContact O-N 3.06Å; R528-A530 VanDerWaalsContact O-N 3.11Å; R528-G544 CarbonylContact O-C 3.38Å; R528-G544 VanDerWaalsContact O-CA 3.24Å; R528-G544 WeakPolarHBondContact O-CA 3.18Å; R528-D545 WeakPolarHBondContact CG-O 3.26Å; R528-D545 IonicContact CZ-OD1 3.56Å; R528-D545 PolarHBondContact N-O 3.04Å; R528-D545 IonicContact NE-OD1 3.92Å; R528-D545 PolarHBondContact NE-OD1 3.4Å; R528-D545 IonicContact NE-OD2 3.57Å; R528-D545 IonicContact NH2-OD1 2.68Å; R528-D545 PolarHBondContact NH2-OD1 2.92Å; R528-D545 PolarHBondContact O-N 3.36Å
529	N	98.4	Very high	96.4	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	21%	0.214	C	C	.	.	S	Bend	trans	55.4	28.8	177.2	-45.5	-55.7	0	0	0	113.4	G482 D545 S576 Y577	G482-N529 PolarHBondContact O-N 3.42Å; N529-D545 PolarHBondContact ND2-OD2 3.26Å; N529-S576 WeakPolarHBondContact CB-OG 3.24Å; N529-Y577 HydrophobicContact CB-CD1 3.62Å; N529-Y577 HydrophobicContact CB-CD2 3.98Å; N529-Y577 HydrophobicContact CB-CE1 3.66Å; N529-Y577 HydrophobicContact CB-CE2 4Å; N529-Y577 HydrophobicContact CB-CG 3.81Å; N529-Y577 WeakPolarHBondContact ND2-CE2 2.93Å; N529-Y577 PolarHBondContact ND2-OH 2.88Å; N529-Y577 VanDerWaalsContact ND2-OH 3.13Å; N529-Y577 PolarHBondContact O-N 2.98Å; N529-Y577 WeakPolarHBondContact OD1-CE1 3.41Å; N529-Y577 VanDerWaalsContact OD1-CZ 3.3Å; N529-Y577 PolarHBondContact OD1-OH 3.37Å
530	A	98.5	Very high	96.4	Very high	14 Å²	14	31.8 Å²	31.8	12%	0.116	19%	0.192	C	C	.	.			trans	-81.3	151.3	175.4	0	0	0	0	0	110.4	R527 R528 V541	R527-A530 HydrophobicContact CB-CB 4.34Å; R528-A530 PolarHBondContact O-N 3.06Å; R528-A530 VanDerWaalsContact O-N 3.11Å; A530-V541 HydrophobicContact CB-CG1 3.59Å
531	G	98.4	Very high	96.4	Very high	6 Å²	6	31 Å²	31	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.8	168.3	0	0	0	0	0	110.4	V541 V542	G531-V541 WeakPolarHBondContact O-CA 3.42Å; G531-V542 PolarHBondContact N-O 3.1Å; G531-V542 PolarHBondContact O-N 3.37Å
532	V	98.6	Very high	96.4	Very high	23 Å²	23	29.9 Å²	29.9	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.1	179.5	-179.5	0	0	0	0	110	L539 Y540 V541	V532-L539 HydrophobicContact CG1-CD1 3.58Å; V532-L539 HydrophobicContact CG1-CD2 4.42Å; V532-L539 HydrophobicContact CG1-CG 3.98Å; V532-Y540 VanDerWaalsContact CA-O 3.29Å; V532-Y540 WeakPolarHBondContact CA-O 3.41Å; V532-V541 HydrophobicContact CG2-CG1 4.33Å; V532-V541 HydrophobicContact CG2-CG2 4.12Å
533	C	97.6	Very high	96.4	Very high	13 Å²	13	26.9 Å²	26.9	9%	0.088	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.3	172.7	68	0	0	0	0	110.7	Y540 V580 V582	C533-Y540 PolarHBondContact N-O 3.25Å; C533-Y540 VanDerWaalsContact N-O 3.13Å; C533-Y540 PolarHBondContact O-N 3.28Å; C533-V580 HydrophobicContact CB-CG1 3.91Å; C533-V582 HydrophobicContact CB-CG2 3.84Å
534	A	95.5	Very high	96.4	Very high	42 Å²	42	26.8 Å²	26.8	35%	0.347	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.2	176.2	0	0	0	0	0	110	V487 L488 L538 L539	V487-A534 WeakPolarHBondContact O-CB 3.5Å; L488-A534 HydrophobicContact CD1-CB 4.29Å; A534-L538 VanDerWaalsContact CA-O 3.29Å; A534-L538 WeakPolarHBondContact CA-O 3.22Å; A534-L539 HydrophobicContact CB-CD1 4.23Å
535	V	91.9	Very high	96.4	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.6	177.7	60.3	0	0	0	0	109.8	K301 F322 G537 L538 Y540 V582	K301-V535 HydrophobicContact CB-CG2 4.08Å; K301-V535 HydrophobicContact CD-CG2 3.6Å; K301-V535 HydrophobicContact CG-CG2 4.5Å; F322-V535 HydrophobicContact CE1-CG1 3.94Å; F322-V535 HydrophobicContact CE2-CG1 4.22Å; F322-V535 HydrophobicContact CZ-CG1 3.56Å; V535-G537 PolarHBondContact O-N 3.42Å; V535-G537 VanDerWaalsContact O-N 3.16Å; V535-L538 PolarHBondContact N-O 3.44Å; V535-L538 PolarHBondContact O-N 3.17Å; V535-Y540 HydrophobicContact CG1-CD2 3.59Å; V535-Y540 HydrophobicContact CG1-CE2 3.26Å; V535-V582 HydrophobicContact CB-CG1 4.27Å; V535-V582 HydrophobicContact CB-CG2 4.22Å; V535-V582 HydrophobicContact CG2-CG1 4.07Å
536	N	85.3	Confident	96.5	Very high	112 Å²	112	22.7 Å²	22.7	60%	0.599	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	38.4	177	-58.2	-15.1	0	0	0	114.3	L538	N536-L538 VanDerWaalsContact C-N 3.27Å; N536-L538 PolarHBondContact O-N 3.22Å
537	G	86.4	Confident	96.3	Very high	41 Å²	41	22.3 Å²	22.3	42%	0.423	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	9.1	178.9	0	0	0	0	0	114.7	L488 V535 P559	L488-G537 VanDerWaalsContact CD1-C 3.48Å; V535-G537 PolarHBondContact O-N 3.42Å; V535-G537 VanDerWaalsContact O-N 3.16Å; G537-P559 WeakPolarHBondContact O-CD 3.28Å
538	L	95	Very high	96	Very high	31 Å²	31	27.7 Å²	27.7	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151	179.6	-57.7	173	0	0	0	110.4	A534 V535 N536 Y540 Y556 Y557 N558	A534-L538 VanDerWaalsContact CA-O 3.29Å; A534-L538 WeakPolarHBondContact CA-O 3.22Å; V535-L538 PolarHBondContact N-O 3.44Å; V535-L538 PolarHBondContact O-N 3.17Å; N536-L538 VanDerWaalsContact C-N 3.27Å; N536-L538 PolarHBondContact O-N 3.22Å; L538-Y540 HydrophobicContact CB-CD2 4.36Å; L538-Y540 HydrophobicContact CB-CE2 3.67Å; L538-Y540 HydrophobicContact CD1-CE2 4.44Å; L538-Y556 HydrophobicContact CB-CD2 4.36Å; L538-Y556 HydrophobicContact CD1-CD2 3.76Å; L538-Y556 HydrophobicContact CD1-CE2 3.92Å; L538-Y556 HydrophobicContact CD1-CG 4.48Å; L538-Y556 HydrophobicContact CD2-CD2 4.14Å; L538-Y556 HydrophobicContact CD2-CE2 4.44Å; L538-Y556 HydrophobicContact CG-CD2 4.31Å; L538-Y557 WeakPolarHBondContact CA-O 3.42Å; L538-N558 HydrophobicContact CD2-CB 3.7Å
539	L	98.4	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.1	176.4	-175.7	77.4	0	0	0	109.6	L488 Y493 T495 V532 A534 Y556 Y557 W564	L488-L539 HydrophobicContact CD2-CB 4.03Å; Y493-L539 HydrophobicContact CD1-CD2 4.06Å; Y493-L539 HydrophobicContact CD2-CD2 4.34Å; Y493-L539 HydrophobicContact CG-CD2 3.74Å; T495-L539 HydrophobicContact CG2-CD2 4.07Å; V532-L539 HydrophobicContact CG1-CD1 3.58Å; V532-L539 HydrophobicContact CG1-CD2 4.42Å; V532-L539 HydrophobicContact CG1-CG 3.98Å; A534-L539 HydrophobicContact CB-CD1 4.23Å; L539-Y556 CarbonylContact O-C 3.55Å; L539-Y556 WeakPolarHBondContact O-CA 3Å; L539-Y557 PolarHBondContact N-O 2.96Å; L539-Y557 VanDerWaalsContact N-O 3.16Å; L539-Y557 PolarHBondContact O-N 2.87Å; L539-W564 HydrophobicContact CD2-CH2 4.44Å
540	Y	98.6	Very high	95.8	Very high	16 Å²	16	30.2 Å²	30.2	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137	-178.6	-68	-103.6	0	0	0	110.6	F322 V532 C533 V535 L538 V554 Y556 L567	F322-Y540 HydrophobicContact CE1-CD1 4.33Å; F322-Y540 AromaticContact CE1-CE1 3.68Å; F322-Y540 HydrophobicContact CE1-CE1 3.68Å; F322-Y540 HydrophobicContact CE1-CE2 4.13Å; F322-Y540 AromaticContact CE1-CZ 3.56Å; V532-Y540 VanDerWaalsContact CA-O 3.29Å; V532-Y540 WeakPolarHBondContact CA-O 3.41Å; C533-Y540 PolarHBondContact N-O 3.25Å; C533-Y540 VanDerWaalsContact N-O 3.13Å; C533-Y540 PolarHBondContact O-N 3.28Å; V535-Y540 HydrophobicContact CG1-CD2 3.59Å; V535-Y540 HydrophobicContact CG1-CE2 3.26Å; L538-Y540 HydrophobicContact CB-CD2 4.36Å; L538-Y540 HydrophobicContact CB-CE2 3.67Å; L538-Y540 HydrophobicContact CD1-CE2 4.44Å; Y540-V554 HydrophobicContact CD1-CG1 4.12Å; Y540-Y556 HydrophobicContact CD1-CD1 4.46Å; Y540-Y556 HydrophobicContact CD1-CG 4.39Å; Y540-Y556 AromaticContact CE1-CD1 3.86Å; Y540-Y556 HydrophobicContact CE1-CD1 3.86Å; Y540-Y556 AromaticContact CE1-CG 3.92Å; Y540-Y556 HydrophobicContact CE1-CG 3.92Å; Y540-L567 HydrophobicContact CD1-CD1 4.34Å; Y540-L567 HydrophobicContact CE1-CD1 4.16Å
541	V	98.7	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.4	174.2	-175.4	0	0	0	0	108.4	T495 M523 A530 G531 V532 V554 E555 W564	T495-V541 HydrophobicContact CG2-CG2 4.02Å; M523-V541 HydrophobicContact SD-CB 4.3Å; M523-V541 HydrophobicContact SD-CG1 4.06Å; M523-V541 HydrophobicContact SD-CG2 4.1Å; A530-V541 HydrophobicContact CB-CG1 3.59Å; G531-V541 WeakPolarHBondContact O-CA 3.42Å; V532-V541 HydrophobicContact CG2-CG1 4.33Å; V532-V541 HydrophobicContact CG2-CG2 4.12Å; V541-V554 WeakPolarHBondContact O-CA 3.32Å; V541-E555 HydrophobicContact CB-CG 4.46Å; V541-E555 PolarHBondContact N-O 2.96Å; V541-E555 PolarHBondContact O-N 2.77Å; V541-E555 VanDerWaalsContact O-N 3.09Å; V541-W564 HydrophobicContact CB-CZ3 4.26Å; V541-W564 HydrophobicContact CG2-CH2 3.52Å; V541-W564 HydrophobicContact CG2-CZ3 3.58Å
542	V	98.7	Very high	95.8	Very high	4 Å²	4	31 Å²	31	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.1	-166	-179.7	0	0	0	0	110.4	M303 V305 G531 G544 V554 M571 V580	M303-V542 HydrophobicContact CE-CG2 3.95Å; M303-V542 HydrophobicContact SD-CG2 3.51Å; M303-V542 VanDerWaalsContact SD-CG2 3.51Å; V305-V542 HydrophobicContact CG1-CG1 4.27Å; V305-V542 HydrophobicContact CG2-CG1 3.73Å; G531-V542 PolarHBondContact N-O 3.1Å; G531-V542 PolarHBondContact O-N 3.37Å; V542-G544 PolarHBondContact O-N 3.25Å; V542-V554 HydrophobicContact CB-CG2 4.19Å; V542-V554 HydrophobicContact CG1-CG2 3.83Å; V542-V554 HydrophobicContact CG2-CG1 3.83Å; V542-V554 HydrophobicContact CG2-CG2 4.13Å; V542-M571 HydrophobicContact CG1-CE 3.93Å; V542-M571 HydrophobicContact CG1-SD 3.72Å; V542-V580 HydrophobicContact CB-CG2 3.89Å; V542-V580 HydrophobicContact CG1-CG2 4.12Å; V542-V580 HydrophobicContact CG2-CG1 4.32Å; V542-V580 HydrophobicContact CG2-CG2 4.08Å
543	G	98.3	Very high	95.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	21%	0.206	C	C	.	.			trans	59.7	-131.1	175.9	0	0	0	0	0	113	R527 L551 S553	R527-G543 PolarHBondContact NH1-O 2.87Å; G543-L551 WeakPolarHBondContact CA-O 3.38Å; G543-S553 PolarHBondContact N-O 3.44Å; G543-S553 VanDerWaalsContact N-O 3.09Å
544	G	98.3	Very high	95.8	Very high	1 Å²	1	30 Å²	30	1%	0.01	20%	0.202	C	C	.	.			trans	88.8	-166	-170.9	0	0	0	0	0	111.8	R528 V542 N550 L551 R575	R528-G544 CarbonylContact O-C 3.38Å; R528-G544 VanDerWaalsContact O-CA 3.24Å; R528-G544 WeakPolarHBondContact O-CA 3.18Å; V542-G544 PolarHBondContact O-N 3.25Å; G544-N550 WeakPolarHBondContact O-CA 3.23Å; G544-L551 PolarHBondContact O-N 2.88Å; G544-R575 PolarHBondContact N-O 3.26Å
545	D	97.7	Very high	95.9	Very high	13 Å²	13	28 Å²	28	7%	0.07	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-135.5	149.1	173.3	67.9	102.3	0	0	0	111.9	R528 N529 C549 S576	R528-D545 WeakPolarHBondContact CG-O 3.26Å; R528-D545 IonicContact CZ-OD1 3.56Å; R528-D545 PolarHBondContact N-O 3.04Å; R528-D545 IonicContact NE-OD1 3.92Å; R528-D545 PolarHBondContact NE-OD1 3.4Å; R528-D545 IonicContact NE-OD2 3.57Å; R528-D545 IonicContact NH2-OD1 2.68Å; R528-D545 PolarHBondContact NH2-OD1 2.92Å; R528-D545 PolarHBondContact O-N 3.36Å; N529-D545 PolarHBondContact ND2-OD2 3.26Å; D545-C549 WeakPolarHBondContact CA-O 3.07Å; D545-C549 VanDerWaalsContact CB-O 3.27Å; D545-C549 WeakPolarHBondContact CB-O 3.18Å; D545-S576 PolarHBondContact OD2-OG 3.35Å
546	D	96.8	Very high	96.2	Very high	50 Å²	50	30.7 Å²	30.7	27%	0.267	20%	0.196	S	C	.	.			trans	-93.3	3.4	-175.9	67.8	-2.2	0	0	0	113.5	V503 C526 S548 C549 L551	V503-D546 WeakPolarHBondContact CG2-O 3.39Å; C526-D546 HydrophobicContact CB-CB 4.39Å; C526-D546 WeakPolarHBondContact O-CA 3.46Å; C526-D546 WeakPolarHBondContact O-CB 3.43Å; D546-S548 WeakPolarHBondContact OD1-CA 3.41Å; D546-S548 WeakPolarHBondContact OD1-CB 3.34Å; D546-S548 PolarHBondContact OD1-N 3.21Å; D546-C549 PolarHBondContact N-O 3.14Å; D546-C549 PolarHBondContact OD1-N 3.48Å; D546-C549 PolarHBondContact OD2-SG 3.26Å; D546-C549 VanDerWaalsContact OD2-SG 3.4Å; D546-L551 HydrophobicContact CB-CD1 4.5Å; D546-L551 HydrophobicContact CB-CD2 4.49Å
547	G	94	Very high	96.9	Very high	36 Å²	36	25.7 Å²	25.7	37%	0.371	17%	0.169	S	C	.	.	S	Bend	trans	107.7	-23.8	-170.3	0	0	0	0	0	113.7
548	S	93.1	Very high	97.2	Very high	117 Å²	117	25.9 Å²	25.9	82%	0.818	16%	0.16	S	C	*	.	S	Bend	trans	-122.8	-42.9	-174.7	-54.2	0	0	0	0	112.6	D546	D546-S548 WeakPolarHBondContact OD1-CA 3.41Å; D546-S548 WeakPolarHBondContact OD1-CB 3.34Å; D546-S548 PolarHBondContact OD1-N 3.21Å
549	C	94.6	Very high	97	Very high	63 Å²	63	26.4 Å²	26.4	43%	0.426	17%	0.165	S	C	.	.	S	Bend	trans	-136.1	153.1	-174.9	70.5	0	0	0	0	112.5	D545 D546	D545-C549 WeakPolarHBondContact CA-O 3.07Å; D545-C549 VanDerWaalsContact CB-O 3.27Å; D545-C549 WeakPolarHBondContact CB-O 3.18Å; D546-C549 PolarHBondContact N-O 3.14Å; D546-C549 PolarHBondContact OD1-N 3.48Å; D546-C549 PolarHBondContact OD2-SG 3.26Å; D546-C549 VanDerWaalsContact OD2-SG 3.4Å
550	N	97.7	Very high	96.7	Very high	46 Å²	46	32.8 Å²	32.8	25%	0.246	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-79.2	131.6	170.8	-63.7	-19.7	0	0	0	109.2	Q309 G544 G574	Q309-N550 PolarHBondContact O-ND2 3.37Å; G544-N550 WeakPolarHBondContact O-CA 3.23Å; N550-G574 WeakPolarHBondContact CB-O 3.5Å
551	L	98.1	Very high	96.3	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.052	22%	0.223	C	C	.	.			trans	-89.6	138.6	-175	-58.2	175.1	0	0	0	110.9	M525 R527 G543 G544 D546 G574 R575	M525-L551 HydrophobicContact CB-CD1 4.45Å; M525-L551 HydrophobicContact CE-CD1 4.49Å; M525-L551 HydrophobicContact CE-CD2 3.7Å; M525-L551 HydrophobicContact SD-CD2 4.46Å; R527-L551 HydrophobicContact CG-CD1 3.85Å; G543-L551 WeakPolarHBondContact CA-O 3.38Å; G544-L551 PolarHBondContact O-N 2.88Å; D546-L551 HydrophobicContact CB-CD1 4.5Å; D546-L551 HydrophobicContact CB-CD2 4.49Å; L551-G574 VanDerWaalsContact C-CA 3.5Å; L551-G574 WeakPolarHBondContact O-CA 3.34Å; L551-R575 PolarHBondContact O-N 2.88Å
552	A	97.8	Very high	96.1	Very high	28 Å²	28	39.2 Å²	39.2	23%	0.231	24%	0.242	C	C	.	.			trans	-93.8	-14.8	170.1	0	0	0	0	0	112.6	N570 M571	A552-N570 HydrophobicContact CB-CB 4.12Å; A552-M571 WeakPolarHBondContact O-CE 3.27Å; A552-M571 PolarHBondContact O-N 3.34Å
553	S	98.1	Very high	96	Very high	14 Å²	14	45.5 Å²	45.5	10%	0.098	27%	0.269	C	S	.	.			trans	-76.9	151.7	-174.8	61.5	0	0	0	0	112.6	M525 R527 G543 N570	M525-S553 PolarHBondContact SD-OG 3.49Å; M525-S553 VanDerWaalsContact SD-OG 3.38Å; R527-S553 PolarHBondContact NH1-O 3.2Å; R527-S553 PolarHBondContact NH2-OG 3.36Å; G543-S553 PolarHBondContact N-O 3.44Å; G543-S553 VanDerWaalsContact N-O 3.09Å; S553-N570 VanDerWaalsContact CA-OD1 3.26Å; S553-N570 WeakPolarHBondContact CA-OD1 3.46Å
554	V	98.5	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.3	170.1	-177.7	0	0	0	0	108	M303 W327 Y540 V541 V542 L567	M303-V554 HydrophobicContact CE-CG1 4.34Å; W327-V554 HydrophobicContact CH2-CG2 4.23Å; W327-V554 HydrophobicContact CZ2-CG2 3.75Å; Y540-V554 HydrophobicContact CD1-CG1 4.12Å; V541-V554 WeakPolarHBondContact O-CA 3.32Å; V542-V554 HydrophobicContact CB-CG2 4.19Å; V542-V554 HydrophobicContact CG1-CG2 3.83Å; V542-V554 HydrophobicContact CG2-CG1 3.83Å; V542-V554 HydrophobicContact CG2-CG2 4.13Å; V554-L567 HydrophobicContact CB-CB 3.96Å; V554-L567 HydrophobicContact CB-CD1 4.14Å; V554-L567 HydrophobicContact CG1-CB 4.4Å; V554-L567 HydrophobicContact CG1-CD1 3.98Å; V554-L567 WeakPolarHBondContact O-CB 3.44Å; V554-L567 PolarHBondContact O-N 2.79Å
555	E	98.5	Very high	96	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.5	169.4	59.8	-170.8	109.7	0	0	110.6	M523 N524 M525 R527 V541 W564 T565 L566	M523-E555 WeakPolarHBondContact CA-OE2 3.39Å; M523-E555 WeakPolarHBondContact CB-OE2 3.43Å; N524-E555 WeakPolarHBondContact CB-OE2 3.27Å; N524-E555 PolarHBondContact N-OE2 2.88Å; N524-E555 PolarHBondContact ND2-OE2 3.41Å; M525-E555 PolarHBondContact N-OE1 2.73Å; R527-E555 IonicContact CZ-OE1 3.73Å; R527-E555 VanDerWaalsContact CZ-OE1 3.27Å; R527-E555 IonicContact NE-OE1 3.8Å; R527-E555 PolarHBondContact NE-OE1 2.69Å; R527-E555 IonicContact NH2-OE1 3.28Å; R527-E555 PolarHBondContact NH2-OE1 3.02Å; V541-E555 HydrophobicContact CB-CG 4.46Å; V541-E555 PolarHBondContact N-O 2.96Å; V541-E555 PolarHBondContact O-N 2.77Å; V541-E555 VanDerWaalsContact O-N 3.09Å; E555-W564 HydrophobicContact CB-CE3 4.21Å; E555-W564 HydrophobicContact CG-CE3 3.73Å; E555-W564 HydrophobicContact CG-CZ3 4.07Å; E555-T565 CarbonylContact C-O 3.56Å; E555-T565 WeakPolarHBondContact CA-O 3.42Å; E555-T565 WeakPolarHBondContact CB-O 3.39Å; E555-L566 HydrophobicContact CB-CD2 4.09Å
556	Y	98.4	Very high	96	Very high	61 Å²	61	52.4 Å²	52.4	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.5	178.2	67.3	-93.6	0	0	0	112	L538 L539 Y540 W564 T565	L538-Y556 HydrophobicContact CB-CD2 4.36Å; L538-Y556 HydrophobicContact CD1-CD2 3.76Å; L538-Y556 HydrophobicContact CD1-CE2 3.92Å; L538-Y556 HydrophobicContact CD1-CG 4.48Å; L538-Y556 HydrophobicContact CD2-CD2 4.14Å; L538-Y556 HydrophobicContact CD2-CE2 4.44Å; L538-Y556 HydrophobicContact CG-CD2 4.31Å; L539-Y556 CarbonylContact O-C 3.55Å; L539-Y556 WeakPolarHBondContact O-CA 3Å; Y540-Y556 HydrophobicContact CD1-CD1 4.46Å; Y540-Y556 HydrophobicContact CD1-CG 4.39Å; Y540-Y556 AromaticContact CE1-CD1 3.86Å; Y540-Y556 HydrophobicContact CE1-CD1 3.86Å; Y540-Y556 AromaticContact CE1-CG 3.92Å; Y540-Y556 HydrophobicContact CE1-CG 3.92Å; Y556-W564 VanDerWaalsContact C-CE3 3.48Å; Y556-W564 CarbonylContact O-C 3.48Å; Y556-W564 WeakPolarHBondContact O-CA 2.92Å; Y556-T565 WeakPolarHBondContact CD1-O 3.18Å; Y556-T565 HydrophobicContact CE1-CG2 3.94Å; Y556-T565 VanDerWaalsContact CZ-CB 3.46Å; Y556-T565 PolarHBondContact N-O 2.81Å; Y556-T565 PolarHBondContact O-N 3.2Å; Y556-T565 WeakPolarHBondContact OH-CG2 3.49Å
557	Y	98.7	Very high	95.9	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.027	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.3	178.1	176.7	-109.6	0	0	0	111	Y493 V520 L538 L539 P559 D562 K563 W564	Y493-Y557 HydrophobicContact CD1-CE1 4.42Å; Y493-Y557 AromaticContact CE1-CD1 3.98Å; Y493-Y557 HydrophobicContact CE1-CD1 3.98Å; Y493-Y557 AromaticContact CE1-CE1 3.53Å; Y493-Y557 HydrophobicContact CE1-CE1 3.53Å; V520-Y557 HydrophobicContact CB-CE2 4.45Å; V520-Y557 HydrophobicContact CG2-CE2 4.37Å; L538-Y557 WeakPolarHBondContact CA-O 3.42Å; L539-Y557 PolarHBondContact N-O 2.96Å; L539-Y557 VanDerWaalsContact N-O 3.16Å; L539-Y557 PolarHBondContact O-N 2.87Å; Y557-P559 HydrophobicContact CD1-CB 4.41Å; Y557-P559 VanDerWaalsContact CE1-CA 3.44Å; Y557-P559 HydrophobicContact CE1-CB 3.75Å; Y557-D562 WeakPolarHBondContact CE2-OD1 3.31Å; Y557-D562 PolarHBondContact OH-OD1 3.28Å; Y557-K563 WeakPolarHBondContact CA-O 3.28Å; Y557-W564 AromaticContact CD2-CD1 3.91Å; Y557-W564 HydrophobicContact CD2-CD2 4.12Å; Y557-W564 AromaticContact CD2-CE2 3.66Å; Y557-W564 HydrophobicContact CD2-CG 4.27Å; Y557-W564 HydrophobicContact CD2-CZ2 4.07Å; Y557-W564 AromaticContact CD2-NE1 3.52Å; Y557-W564 HydrophobicContact CG-CD2 4.4Å; Y557-W564 AromaticContact CG-CE2 3.95Å; Y557-W564 HydrophobicContact CG-CH2 4.39Å; Y557-W564 AromaticContact CG-CZ2 3.93Å; Y557-W564 HydrophobicContact CG-CZ2 3.93Å
558	N	93.6	Very high	95.6	Very high	46 Å²	46	53.4 Å²	53.4	25%	0.246	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.6	169.7	-177.3	-23.8	0	0	0	109.7	L538 V560 T561 D562 K563	L538-N558 HydrophobicContact CD2-CB 3.7Å; N558-V560 PolarHBondContact O-N 3.5Å; N558-V560 VanDerWaalsContact OD1-CB 3.32Å; N558-V560 WeakPolarHBondContact OD1-CB 3.42Å; N558-V560 PolarHBondContact OD1-N 3.49Å; N558-T561 WeakPolarHBondContact CB-OG1 3.5Å; N558-T561 PolarHBondContact O-N 3.33Å; N558-T561 PolarHBondContact OD1-N 3.04Å; N558-D562 WeakPolarHBondContact O-CA 3.49Å; N558-D562 PolarHBondContact O-N 3.22Å; N558-K563 PolarHBondContact N-O 3.22Å; N558-K563 PolarHBondContact O-N 3.23Å
559	P	90.4	Very high	95.6	Very high	42 Å²	42	49.9 Å²	49.9	27%	0.273	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20	-177.6	30.5	-38	0	0	0	113.8	L488 G537 Y557	L488-P559 HydrophobicContact CD2-CB 4.29Å; L488-P559 HydrophobicContact CD2-CG 3.69Å; G537-P559 WeakPolarHBondContact O-CD 3.28Å; Y557-P559 HydrophobicContact CD1-CB 4.41Å; Y557-P559 VanDerWaalsContact CE1-CA 3.44Å; Y557-P559 HydrophobicContact CE1-CB 3.75Å
560	V	91.2	Very high	95.7	Very high	134 Å²	134	51.2 Å²	51.2	81%	0.812	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-39.7	178.7	-178.5	0	0	0	0	110.6	N558	N558-V560 PolarHBondContact O-N 3.5Å; N558-V560 VanDerWaalsContact OD1-CB 3.32Å; N558-V560 WeakPolarHBondContact OD1-CB 3.42Å; N558-V560 PolarHBondContact OD1-N 3.49Å
561	T	91.1	Very high	95.6	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.3	-177.8	59.5	0	0	0	0	113.7	N558 K563	N558-T561 WeakPolarHBondContact CB-OG1 3.5Å; N558-T561 PolarHBondContact O-N 3.33Å; N558-T561 PolarHBondContact OD1-N 3.04Å; T561-K563 PolarHBondContact O-N 3.18Å
562	D	94.3	Very high	95.4	Very high	74 Å²	74	53 Å²	53	40%	0.396	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	53.3	-171.9	-168.8	21.7	0	0	0	111.7	A521 Y557 N558	A521-D562 WeakPolarHBondContact CB-O 3.47Å; A521-D562 VanDerWaalsContact CB-OD1 3.26Å; A521-D562 WeakPolarHBondContact CB-OD1 3.48Å; A521-D562 PolarHBondContact N-OD1 3.23Å; Y557-D562 WeakPolarHBondContact CE2-OD1 3.31Å; Y557-D562 PolarHBondContact OH-OD1 3.28Å; N558-D562 WeakPolarHBondContact O-CA 3.49Å; N558-D562 PolarHBondContact O-N 3.22Å
563	K	96.7	Very high	95.1	Very high	137 Å²	137	54.7 Å²	54.7	60%	0.596	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.6	-176	-74.5	-177	-178.3	-177.4	0	112.4	Y557 N558 T561	Y557-K563 WeakPolarHBondContact CA-O 3.28Å; N558-K563 PolarHBondContact N-O 3.22Å; N558-K563 PolarHBondContact O-N 3.23Å; T561-K563 PolarHBondContact O-N 3.18Å
564	W	98.5	Very high	95	Very high	20 Å²	20	55 Å²	55	8%	0.076	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.1	172	-70.4	91.5	0	0	0	111.1	T495 V507 A521 D522 M523 N524 L539 V541 E555 Y556 Y557	T495-W564 HydrophobicContact CG2-CH2 3.95Å; T495-W564 HydrophobicContact CG2-CZ2 4.15Å; V507-W564 HydrophobicContact CB-CZ2 4.45Å; V507-W564 HydrophobicContact CG1-CZ2 4.25Å; V507-W564 HydrophobicContact CG2-CZ2 3.7Å; A521-W564 PolarHBondContact O-NE1 3.24Å; D522-W564 VanDerWaalsContact C-CD1 3.47Å; M523-W564 HydrophobicContact CB-CD2 4.44Å; M523-W564 HydrophobicContact CG-CD2 3.79Å; M523-W564 HydrophobicContact CG-CE3 4.04Å; M523-W564 HydrophobicContact CG-CG 4.43Å; M523-W564 HydrophobicContact CG-CH2 3.94Å; M523-W564 HydrophobicContact CG-CZ2 3.69Å; M523-W564 HydrophobicContact CG-CZ3 4.11Å; M523-W564 HydrophobicContact SD-CH2 4.26Å; M523-W564 HydrophobicContact SD-CZ2 4.47Å; M523-W564 HydrophobicContact SD-CZ3 4.47Å; N524-W564 VanDerWaalsContact ND2-CB 3.32Å; N524-W564 WeakPolarHBondContact ND2-CB 3.41Å; N524-W564 PolarHBondContact ND2-O 3.47Å; L539-W564 HydrophobicContact CD2-CH2 4.44Å; V541-W564 HydrophobicContact CB-CZ3 4.26Å; V541-W564 HydrophobicContact CG2-CH2 3.52Å; V541-W564 HydrophobicContact CG2-CZ3 3.58Å; E555-W564 HydrophobicContact CB-CE3 4.21Å; E555-W564 HydrophobicContact CG-CE3 3.73Å; E555-W564 HydrophobicContact CG-CZ3 4.07Å; Y556-W564 VanDerWaalsContact C-CE3 3.48Å; Y556-W564 CarbonylContact O-C 3.48Å; Y556-W564 WeakPolarHBondContact O-CA 2.92Å; Y557-W564 AromaticContact CD2-CD1 3.91Å; Y557-W564 HydrophobicContact CD2-CD2 4.12Å; Y557-W564 AromaticContact CD2-CE2 3.66Å; Y557-W564 HydrophobicContact CD2-CG 4.27Å; Y557-W564 HydrophobicContact CD2-CZ2 4.07Å; Y557-W564 AromaticContact CD2-NE1 3.52Å; Y557-W564 HydrophobicContact CG-CD2 4.4Å; Y557-W564 AromaticContact CG-CE2 3.95Å; Y557-W564 HydrophobicContact CG-CH2 4.39Å; Y557-W564 AromaticContact CG-CZ2 3.93Å; Y557-W564 HydrophobicContact CG-CZ2 3.93Å
565	T	97.9	Very high	94.9	Very high	60 Å²	60	55 Å²	55	37%	0.368	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.5	177.4	-51.6	0	0	0	0	109.5	E555 Y556	E555-T565 CarbonylContact C-O 3.56Å; E555-T565 WeakPolarHBondContact CA-O 3.42Å; E555-T565 WeakPolarHBondContact CB-O 3.39Å; Y556-T565 WeakPolarHBondContact CD1-O 3.18Å; Y556-T565 HydrophobicContact CE1-CG2 3.94Å; Y556-T565 VanDerWaalsContact CZ-CB 3.46Å; Y556-T565 PolarHBondContact N-O 2.81Å; Y556-T565 PolarHBondContact O-N 3.2Å; Y556-T565 WeakPolarHBondContact OH-CG2 3.49Å
566	L	97.1	Very high	94.9	Very high	80 Å²	80	55.1 Å²	55.1	42%	0.419	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.1	172.6	-80	164.2	0	0	0	109.9	E555	E555-L566 HydrophobicContact CB-CD2 4.09Å
567	L	94.6	Very high	94.9	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	31%	0.31	C	S	.	.			trans	-69.5	136.1	169.7	-154.1	149.9	0	0	0	108.2	Y320 Y540 V554 T569	Y320-L567 HydrophobicContact CD1-CD1 4.26Å; Y320-L567 HydrophobicContact CD2-CD2 4.4Å; Y320-L567 HydrophobicContact CE1-CD1 3.7Å; Y320-L567 HydrophobicContact CE1-CD2 4.26Å; Y320-L567 HydrophobicContact CE1-CG 4.44Å; Y320-L567 HydrophobicContact CE2-CD1 4.37Å; Y320-L567 HydrophobicContact CE2-CD2 3.53Å; Y320-L567 VanDerWaalsContact CZ-CD2 3.44Å; Y320-L567 VanDerWaalsContact OH-CD2 3.3Å; Y320-L567 WeakPolarHBondContact OH-CD2 3.41Å; Y540-L567 HydrophobicContact CD1-CD1 4.34Å; Y540-L567 HydrophobicContact CE1-CD1 4.16Å; V554-L567 HydrophobicContact CB-CB 3.96Å; V554-L567 HydrophobicContact CB-CD1 4.14Å; V554-L567 HydrophobicContact CG1-CB 4.4Å; V554-L567 HydrophobicContact CG1-CD1 3.98Å; V554-L567 WeakPolarHBondContact O-CB 3.44Å; V554-L567 PolarHBondContact O-N 2.79Å; L567-T569 VanDerWaalsContact C-N 3.31Å; L567-T569 WeakPolarHBondContact CD2-O 3.39Å; L567-T569 VanDerWaalsContact CD2-OG1 3.29Å; L567-T569 WeakPolarHBondContact CD2-OG1 3.44Å; L567-T569 PolarHBondContact O-N 2.82Å
568	P	88.2	Confident	94.8	Very high	98 Å²	98	54.3 Å²	54.3	64%	0.636	31%	0.313	S	S	*	.	S	Bend	trans	-66.3	-32	-173.6	26.4	-37	0	0	0	113	D325	D325-P568 WeakPolarHBondContact OD2-CG 3.25Å
569	T	94.1	Very high	95	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	31%	0.306	S	S	.	.	S	Bend	trans	-105.1	129.4	179.4	57.9	0	0	0	0	111.9	Y320 D325 W327 L567	Y320-T569 WeakPolarHBondContact CE2-OG1 3.34Å; D325-T569 VanDerWaalsContact O-CG2 3.28Å; D325-T569 WeakPolarHBondContact O-CG2 3.46Å; D325-T569 PolarHBondContact O-OG1 3.4Å; D325-T569 PolarHBondContact OD1-OG1 3.09Å; W327-T569 PolarHBondContact NE1-O 3.03Å; L567-T569 VanDerWaalsContact C-N 3.31Å; L567-T569 WeakPolarHBondContact CD2-O 3.39Å; L567-T569 VanDerWaalsContact CD2-OG1 3.29Å; L567-T569 WeakPolarHBondContact CD2-OG1 3.44Å; L567-T569 PolarHBondContact O-N 2.82Å
570	N	95.7	Very high	95.4	Very high	91 Å²	91	51.2 Å²	51.2	49%	0.487	30%	0.297	S	S	.	.			trans	-89.2	155.9	177.5	-66.3	-42.8	0	0	0	110.7	W327 A552 S553	W327-N570 PolarHBondContact NE1-O 3.13Å; A552-N570 HydrophobicContact CB-CB 4.12Å; S553-N570 VanDerWaalsContact CA-OD1 3.26Å; S553-N570 WeakPolarHBondContact CA-OD1 3.46Å
571	M	96.6	Very high	95.7	Very high	6 Å²	6	45 Å²	45	3%	0.03	26%	0.26	C	S	.	.			trans	-55.3	150.8	165.6	-68	-179.7	-68.4	0	0	110.3	V305 W327 V542 A552 T573 R575	V305-M571 HydrophobicContact CB-SD 4.43Å; V305-M571 HydrophobicContact CG1-SD 4Å; V305-M571 HydrophobicContact CG2-SD 4.18Å; W327-M571 HydrophobicContact CD2-CG 4.05Å; W327-M571 HydrophobicContact CE3-CG 4.02Å; W327-M571 HydrophobicContact CH2-CG 3.43Å; W327-M571 VanDerWaalsContact CH2-CG 3.43Å; W327-M571 HydrophobicContact CH2-SD 4.08Å; W327-M571 HydrophobicContact CZ2-CG 3.5Å; W327-M571 VanDerWaalsContact CZ2-CG 3.5Å; W327-M571 HydrophobicContact CZ3-CG 3.71Å; W327-M571 HydrophobicContact CZ3-SD 4.35Å; V542-M571 HydrophobicContact CG1-CE 3.93Å; V542-M571 HydrophobicContact CG1-SD 3.72Å; A552-M571 WeakPolarHBondContact O-CE 3.27Å; A552-M571 PolarHBondContact O-N 3.34Å; M571-T573 PolarHBondContact O-N 3.44Å; M571-R575 HydrophobicContact CE-CG 3.82Å; M571-R575 HydrophobicContact SD-CG 3.91Å
572	S	92.8	Very high	95.9	Very high	87 Å²	87	42.7 Å²	42.7	61%	0.608	25%	0.246	S	C	*	.	S	Bend	trans	-60.3	-32.7	178.5	62.3	0	0	0	0	112.5	E318	E318-S572 PolarHBondContact OE1-OG 3.24Å; E318-S572 VanDerWaalsContact OE2-CB 3.29Å; E318-S572 WeakPolarHBondContact OE2-CB 3.5Å; E318-S572 PolarHBondContact OE2-N 3.43Å; E318-S572 PolarHBondContact OE2-OG 3.1Å
573	T	91.9	Very high	95.7	Very high	64 Å²	64	39.9 Å²	39.9	39%	0.393	23%	0.231	S	C	.	.	S	Bend	trans	-133.8	129.4	-179.8	-56.9	0	0	0	0	111.4	A310 M571 R575	A310-T573 HydrophobicContact CB-CG2 3.67Å; M571-T573 PolarHBondContact O-N 3.44Å; T573-R575 PolarHBondContact O-N 3.18Å
574	G	95.7	Very high	95.1	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	22%	0.221	C	C	.	.			trans	-62.8	122.7	173.1	0	0	0	0	0	112.2	A310 N550 L551	A310-G574 WeakPolarHBondContact CB-O 3.36Å; N550-G574 WeakPolarHBondContact CB-O 3.5Å; L551-G574 VanDerWaalsContact C-CA 3.5Å; L551-G574 WeakPolarHBondContact O-CA 3.34Å
575	R	97.2	Very high	94	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	23%	0.23	C	C	.	.			trans	-139.5	139.2	-171.5	59.2	-179.1	72.6	-158	3	112.6	G307 Q309 S316 E318 G544 L551 M571 T573 A578	G307-R575 PolarHBondContact O-NH1 3.48Å; Q309-R575 WeakPolarHBondContact O-CA 3.35Å; S316-R575 PolarHBondContact O-NH1 3.46Å; S316-R575 PolarHBondContact OG-NH2 2.9Å; E318-R575 IonicContact OE1-CZ 3.56Å; E318-R575 IonicContact OE1-NE 3.96Å; E318-R575 PolarHBondContact OE1-NE 3.27Å; E318-R575 IonicContact OE1-NH2 3.48Å; E318-R575 PolarHBondContact OE1-NH2 3.45Å; G544-R575 PolarHBondContact N-O 3.26Å; L551-R575 PolarHBondContact O-N 2.88Å; M571-R575 HydrophobicContact CE-CG 3.82Å; M571-R575 HydrophobicContact SD-CG 3.91Å; T573-R575 PolarHBondContact O-N 3.18Å; R575-A578 HydrophobicContact CG-CB 4.21Å
576	S	97.9	Very high	92.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-116.7	161.2	174	-179.6	0	0	0	0	110.4	G308 Q309 N529 D545 A578	G308-S576 CarbonylContact C-O 3.58Å; G308-S576 WeakPolarHBondContact CA-O 3.37Å; Q309-S576 WeakPolarHBondContact CB-O 3.44Å; Q309-S576 PolarHBondContact N-O 3.2Å; Q309-S576 PolarHBondContact O-N 2.91Å; N529-S576 WeakPolarHBondContact CB-OG 3.24Å; D545-S576 PolarHBondContact OD2-OG 3.35Å; S576-A578 PolarHBondContact O-N 3.42Å; S576-A578 VanDerWaalsContact O-N 3.11Å
577	Y	98.3	Very high	89.9	Confident	41 Å²	41	44.1 Å²	44.1	16%	0.161	26%	0.257	C	S	.	.	S	Bend	trans	53.9	28.6	-177.1	-63.1	-81.5	0	0	0	114.1	R339 T386 N529	R339-Y577 HydrophobicContact CB-CD1 4.25Å; R339-Y577 HydrophobicContact CG-CD1 3.52Å; R339-Y577 HydrophobicContact CG-CD2 4.28Å; R339-Y577 HydrophobicContact CG-CE1 4.07Å; R339-Y577 HydrophobicContact CG-CG 3.61Å; R339-Y577 PolarHBondContact N-O 3.27Å; T386-Y577 HydrophobicContact CG2-CD1 4.38Å; T386-Y577 HydrophobicContact CG2-CE1 3.94Å; N529-Y577 HydrophobicContact CB-CD1 3.62Å; N529-Y577 HydrophobicContact CB-CD2 3.98Å; N529-Y577 HydrophobicContact CB-CE1 3.66Å; N529-Y577 HydrophobicContact CB-CE2 4Å; N529-Y577 HydrophobicContact CB-CG 3.81Å; N529-Y577 WeakPolarHBondContact ND2-CE2 2.93Å; N529-Y577 PolarHBondContact ND2-OH 2.88Å; N529-Y577 VanDerWaalsContact ND2-OH 3.13Å; N529-Y577 PolarHBondContact O-N 2.98Å; N529-Y577 WeakPolarHBondContact OD1-CE1 3.41Å; N529-Y577 VanDerWaalsContact OD1-CZ 3.3Å; N529-Y577 PolarHBondContact OD1-OH 3.37Å
578	A	97.8	Very high	89.6	Confident	11 Å²	11	45.9 Å²	45.9	9%	0.091	27%	0.268	C	S	.	.			trans	-87.3	140.7	170.2	0	0	0	0	0	108.7	V305 G307 R575 S576	V305-A578 HydrophobicContact CG1-CB 3.76Å; G307-A578 WeakPolarHBondContact O-CB 3.42Å; R575-A578 HydrophobicContact CG-CB 4.21Å; S576-A578 PolarHBondContact O-N 3.42Å; S576-A578 VanDerWaalsContact O-N 3.11Å
579	G	97.5	Very high	89.7	Confident	9 Å²	9	43.2 Å²	43.2	9%	0.093	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	154.7	172.1	0	0	0	0	0	110.8	V306	V306-G579 PolarHBondContact N-O 2.97Å; V306-G579 PolarHBondContact O-N 3.32Å
580	V	98.1	Very high	89.5	Confident	13 Å²	13	43.2 Å²	43.2	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139	-175.6	179.3	0	0	0	0	109.7	M303 I304 V305 C533 V542	M303-V580 HydrophobicContact CG-CG1 3.56Å; M303-V580 HydrophobicContact SD-CG1 3.91Å; I304-V580 VanDerWaalsContact O-CA 3.26Å; I304-V580 WeakPolarHBondContact O-CA 3.24Å; V305-V580 HydrophobicContact CG1-CG2 4.29Å; V305-V580 HydrophobicContact CG2-CG2 4.18Å; C533-V580 HydrophobicContact CB-CG1 3.91Å; V542-V580 HydrophobicContact CB-CG2 3.89Å; V542-V580 HydrophobicContact CG1-CG2 4.12Å; V542-V580 HydrophobicContact CG2-CG1 4.32Å; V542-V580 HydrophobicContact CG2-CG2 4.08Å
581	A	97.2	Very high	89.1	Confident	5 Å²	5	40.4 Å²	40.4	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.4	172.8	0	0	0	0	0	109.8	I304 V342 F344 V349	I304-A581 PolarHBondContact N-O 3.35Å; I304-A581 PolarHBondContact O-N 3.16Å; V342-A581 HydrophobicContact CG1-CB 4.15Å; F344-A581 HydrophobicContact CB-CB 4.37Å; V349-A581 HydrophobicContact CG1-CB 3.82Å; V349-A581 HydrophobicContact CG2-CB 3.9Å
582	V	94.9	Very high	88.6	Confident	27 Å²	27	42.6 Å²	42.6	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	172.4	178.1	0	0	0	0	107.3	K301 V302 C533 V535	K301-V582 HydrophobicContact CB-CG1 3.86Å; K301-V582 HydrophobicContact CD-CG1 4.09Å; K301-V582 HydrophobicContact CG-CG1 4.25Å; V302-V582 WeakPolarHBondContact O-CA 3.34Å; C533-V582 HydrophobicContact CB-CG2 3.84Å; V535-V582 HydrophobicContact CB-CG1 4.27Å; V535-V582 HydrophobicContact CB-CG2 4.22Å; V535-V582 HydrophobicContact CG2-CG1 4.07Å
583	I	91	Very high	88.3	Confident	15 Å²	15	39.6 Å²	39.6	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	169.7	176	70.3	161.1	0	0	0	110.1	K301 V302 I304 F344 V349 Y367	K301-I583 CarbonylContact C-O 3.42Å; K301-I583 VanDerWaalsContact CA-O 3.3Å; K301-I583 WeakPolarHBondContact CA-O 3.49Å; V302-I583 HydrophobicContact CG2-CD1 4.13Å; V302-I583 HydrophobicContact CG2-CG1 3.47Å; V302-I583 VanDerWaalsContact CG2-CG1 3.47Å; V302-I583 PolarHBondContact N-O 3.4Å; V302-I583 PolarHBondContact O-N 3.49Å; I304-I583 HydrophobicContact CD1-CD1 3.32Å; I304-I583 HydrophobicContact CD1-CG1 3.62Å; I304-I583 HydrophobicContact CD1-CG2 4.17Å; I304-I583 HydrophobicContact CG1-CD1 4.33Å; I304-I583 HydrophobicContact CG1-CG1 4.17Å; F344-I583 HydrophobicContact CD2-CG2 3.62Å; F344-I583 HydrophobicContact CE2-CB 4.29Å; F344-I583 HydrophobicContact CE2-CG2 3.82Å; V349-I583 HydrophobicContact CG2-CG2 3.36Å; Y367-I583 HydrophobicContact CE1-CD1 4.33Å
584	H	83.1	Confident	88.1	Confident	84 Å²	84	37.9 Å²	37.9	39%	0.389	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.9	166.2	-66.2	-68.2	0	0	0	109.6	L299 S586	L299-H584 HydrophobicContact CB-CB 3.85Å; L299-H584 HydrophobicContact CD1-CB 4.16Å; L299-H584 PolarHBondContact O-ND1 3.42Å; H584-S586 PolarHBondContact O-N 3.3Å
585	K	75.6	Confident	87.5	Confident	62 Å²	62	39.2 Å²	39.2	27%	0.27	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.3	122.9	168.8	-166	171	-179.6	176.6	0	107.3	P300 V302 D321 E324	P300-K585 HydrophobicContact CB-CB 4.11Å; P300-K585 HydrophobicContact CB-CD 4.17Å; P300-K585 WeakPolarHBondContact O-CA 3.3Å; P300-K585 WeakPolarHBondContact O-CB 3.41Å; P300-K585 PolarHBondContact O-N 3.38Å; V302-K585 HydrophobicContact CG1-CB 3.96Å; V302-K585 HydrophobicContact CG1-CD 4.25Å; V302-K585 HydrophobicContact CG1-CG 4.21Å; D321-K585 VanDerWaalsContact OD2-CE 3.29Å; D321-K585 WeakPolarHBondContact OD2-CE 3.48Å; D321-K585 IonicContact OD2-NZ 3.1Å; D321-K585 PolarHBondContact OD2-NZ 3.12Å; E324-K585 IonicContact OE1-NZ 2.58Å; E324-K585 PolarHBondContact OE1-NZ 2.76Å
586	S	63.1	Low	86.7	Confident	60 Å²	60	42.3 Å²	42.3	42%	0.42	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-62.7	133	168.5	11.1	0	0	0	0	108.2	G369 H584	G369-S586 PolarHBondContact O-OG 3.31Å; H584-S586 PolarHBondContact O-N 3.3Å
587	L	45.9	Very low	85.7	Confident	180 Å²	180	46.1 Å²	46.1	94%	0.942	25%	0.248	S	C	*	.			trans	-66.4	0	173.2	-76.7	168.1	0	0	0	111.2	L299	L299-L587 HydrophobicContact CD2-CD1 3.78Å; L299-L587 HydrophobicContact CD2-CD2 3.96Å; L299-L587 HydrophobicContact CD2-CG 3.56Å

Retrieved 587 of 587 residues in 863.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).