A0A087XV82_POEFO Loading...

Serpin peptidase inhibitor, clade I (neuroserpin), member 1

AlphaFold DB , UniProt , Accession A0A087XV82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	33.8	Very low	222 Å²	222	155.9 Å²	155.9	100%	1.094	82%	0.819	S	S	*	*				0	119.3	0	-168.8	174.9	78.4	0	0	106.6
2	L	33.5	Very low	34.1	Very low	150 Å²	150	151.8 Å²	151.8	79%	0.785	81%	0.809	S	S	*	*			trans	68.5	143	175.8	-57.5	139	0	0	0	116.3
3	V	34.1	Very low	34	Very low	119 Å²	119	155.5 Å²	155.5	72%	0.721	81%	0.814	S	S	*	*			cis	-164.4	148.8	-13.7	133.8	0	0	0	0	104.4
4	L	35.6	Very low	34	Very low	154 Å²	154	155.5 Å²	155.5	81%	0.806	81%	0.814	S	S	*	*			trans	-61.3	132.8	170.4	-98.1	83.4	0	0	0	111.3
5	E	30.8	Very low	33.9	Very low	194 Å²	194	154.9 Å²	154.9	91%	0.907	81%	0.81	S	S	*	*			trans	-130.7	119.2	149.1	-86.4	-170.5	156.7	0	0	109.3
6	V	39.4	Very low	33.8	Very low	124 Å²	124	151 Å²	151	75%	0.752	80%	0.8	S	S	*	*			trans	-86.6	120.9	172.1	170	0	0	0	0	107
7	S	31.8	Very low	34.3	Very low	103 Å²	103	150.6 Å²	150.6	72%	0.72	80%	0.797	S	S	*	*			trans	-167.6	137.6	162.3	-95.4	0	0	0	0	113.4
8	I	32.5	Very low	34.2	Very low	149 Å²	149	151.1 Å²	151.1	76%	0.764	80%	0.799	S	S	*	*			trans	87.3	113.8	156.1	-50.5	144.5	0	0	0	116.3
9	L	31.1	Very low	34.4	Very low	148 Å²	148	151.5 Å²	151.5	78%	0.775	80%	0.801	S	S	*	*				-167.4	105.4	109	-95.7	157	0	0	0	111
10	L	34	Very low	34.3	Very low	166 Å²	166	148.8 Å²	148.8	87%	0.869	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.6	129.5	156.5	-88.8	122.3	0	0	0	108.9
11	F	33.1	Very low	34.7	Very low	186 Å²	186	145.3 Å²	145.3	82%	0.816	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-102.3	133.1	165.1	-106.2	-89.5	0	0	0	109.8
12	P	37.3	Very low	34.6	Very low	107 Å²	107	144.1 Å²	144.1	70%	0.695	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.1	138.9	177.7	31.9	-30.4	0	0	0	111.1	L14	P12-L14 PolarHBondContact O-N 2.78Å
13	F	33.2	Very low	34.4	Very low	199 Å²	199	139.9 Å²	139.9	87%	0.873	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.8	166	-103	-104.9	0	0	0	110
14	L	32.9	Very low	34	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	78%	0.779	S	S	*	*			trans	-114.8	100	161	-137.5	116.3	0	0	0	107.8	P12 S16	P12-L14 PolarHBondContact O-N 2.78Å; L14-S16 PolarHBondContact O-N 3.15Å
15	L	33.3	Very low	33.8	Very low	146 Å²	146	144 Å²	144	76%	0.764	78%	0.78	S	S	*	*			trans	-71.1	103.8	176.5	-163.8	81	0	0	0	108.4
16	S	31.6	Very low	33.9	Very low	93 Å²	93	139 Å²	139	65%	0.65	77%	0.773	S	S	*	*			trans	-94.9	108.6	170.6	-53.8	0	0	0	0	108.1	L14 L18	L14-S16 PolarHBondContact O-N 3.15Å; S16-L18 PolarHBondContact O-N 3.43Å
17	I	42.6	Very low	33.5	Very low	144 Å²	144	137.3 Å²	137.3	74%	0.738	77%	0.771	S	S	*	*			trans	-69.6	110	171.8	-64.1	167.1	0	0	0	107.4
18	L	32.6	Very low	33.6	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	78%	0.777	S	S	*	*			trans	-117.5	105.1	162.8	-82.3	163.5	0	0	0	106.8	S16 P20	S16-L18 PolarHBondContact O-N 3.43Å; L18-P20 WeakPolarHBondContact O-CD 3.46Å
19	L	37.6	Very low	33.9	Very low	159 Å²	159	138 Å²	138	83%	0.832	77%	0.772	S	S	*	*			trans	-69.9	123.1	164.2	-80.6	158.2	0	0	0	108.1
20	P	33.3	Very low	34.4	Very low	97 Å²	97	134.2 Å²	134.2	63%	0.63	76%	0.757	S	S	*	*			trans	-92.9	104.7	157.7	27.4	-11.9	0	0	0	107.4	L18 Y22	L18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-Y22 HydrophobicContact CB-CD2 3.7Å; P20-Y22 HydrophobicContact CB-CE2 3.63Å; P20-Y22 PolarHBondContact O-N 2.68Å
21	G	42.5	Very low	35.2	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	75%	0.75	S	S	*	*			trans	-60.4	112.8	156	0	0	0	0	0	107.9
22	Y	33.5	Very low	36.5	Very low	198 Å²	198	126.9 Å²	126.9	78%	0.776	72%	0.722	S	S	*	*			trans	-127.1	126.6	161.4	-79.6	-77.7	0	0	0	107.1	P20	P20-Y22 HydrophobicContact CB-CD2 3.7Å; P20-Y22 HydrophobicContact CB-CE2 3.63Å; P20-Y22 PolarHBondContact O-N 2.68Å
23	G	29.1	Very low	37.8	Very low	61 Å²	61	122.8 Å²	122.8	63%	0.629	70%	0.695	S	S	*	*			trans	-54.1	151.1	177.5	0	0	0	0	0	110.9	W25	G23-W25 PolarHBondContact O-N 3.08Å
24	C	26.5	Very low	39.9	Very low	137 Å²	137	113.3 Å²	113.3	93%	0.926	65%	0.654	S	S	*	*			trans	-48.5	108.8	168.5	-161.9	0	0	0	0	107.7	A26	C24-A26 PolarHBondContact O-N 3.02Å
25	W	31.5	Very low	42.6	Very low	221 Å²	221	106.6 Å²	106.6	84%	0.837	62%	0.619	S	S	*	*			trans	-57.9	129.1	166	-79.4	55.8	0	0	0	106.1	G23 A27	G23-W25 PolarHBondContact O-N 3.08Å; W25-A27 PolarHBondContact O-N 3.31Å; W25-A27 VanDerWaalsContact O-N 3.14Å
26	A	32	Very low	45.3	Very low	91 Å²	91	104.1 Å²	104.1	75%	0.752	60%	0.604	S	S	*	*			trans	-45.2	124.1	166.6	0	0	0	0	0	107.2	C24 D28	C24-A26 PolarHBondContact O-N 3.02Å; A26-D28 PolarHBondContact O-N 3.32Å
27	A	32.2	Very low	48.3	Very low	87 Å²	87	99.8 Å²	99.8	72%	0.719	57%	0.574	S	S	*	*			trans	-49.4	130.5	174.2	0	0	0	0	0	108.1	W25 V29	W25-A27 PolarHBondContact O-N 3.31Å; W25-A27 VanDerWaalsContact O-N 3.14Å; A27-V29 PolarHBondContact O-N 3.39Å
28	D	33.3	Very low	50.9	Low	157 Å²	157	93 Å²	93	84%	0.84	54%	0.538	S	S	*	.			trans	-46.4	106.9	170.1	-67.2	-48.5	0	0	0	107.8	A26 P30	A26-D28 PolarHBondContact O-N 3.32Å; D28-P30 WeakPolarHBondContact O-CD 3.3Å
29	V	37.9	Very low	53.9	Low	109 Å²	109	85.6 Å²	85.6	66%	0.661	50%	0.5	S	S	*	.			trans	-62.6	122.5	167.7	177.8	0	0	0	0	104.4	A27 E31 L97	A27-V29 PolarHBondContact O-N 3.39Å; V29-E31 PolarHBondContact O-N 3.25Å; V29-L97 HydrophobicContact CG1-CD1 4.39Å
30	P	42.8	Very low	56.7	Low	70 Å²	70	81.7 Å²	81.7	46%	0.455	47%	0.474	S	S	.	.			trans	-51.9	133.9	178.9	-23.7	32	0	0	0	109.9	D28 D32 T33 L89	D28-P30 WeakPolarHBondContact O-CD 3.3Å; P30-D32 PolarHBondContact O-N 3.07Å; P30-T33 HydrophobicContact CB-CG2 4.18Å; P30-L89 HydrophobicContact CG-CD2 4.47Å
31	E	50.8	Low	59.7	Low	156 Å²	156	77.1 Å²	77.1	73%	0.729	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-23.1	124	161.3	-149.5	168.9	-159.7	0	0	110.6	V29 T33	V29-E31 PolarHBondContact O-N 3.25Å; E31-T33 PolarHBondContact O-N 3.07Å
32	D	60.6	Low	62.3	Low	42 Å²	42	73.5 Å²	73.5	23%	0.225	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	94.1	-160	-176.7	4	0	0	0	114.1	P30 T34 S35	P30-D32 PolarHBondContact O-N 3.07Å; D32-T34 PolarHBondContact O-N 2.84Å; D32-T34 PolarHBondContact OD1-N 2.92Å; D32-T34 VanDerWaalsContact OD1-N 3.1Å; D32-T34 PolarHBondContact OD1-OG1 2.96Å; D32-S35 VanDerWaalsContact CG-OG 3.28Å; D32-S35 WeakPolarHBondContact O-CB 3.43Å; D32-S35 PolarHBondContact O-N 3Å; D32-S35 PolarHBondContact OD1-N 3.05Å; D32-S35 WeakPolarHBondContact OD2-CB 3.41Å; D32-S35 PolarHBondContact OD2-OG 3.49Å
33	T	64.4	Low	65.3	Low	20 Å²	20	66.6 Å²	66.6	12%	0.123	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-20.8	-176.7	58.8	0	0	0	0	112.3	P30 E31 H88	P30-T33 HydrophobicContact CB-CG2 4.18Å; E31-T33 PolarHBondContact O-N 3.07Å; T33-H88 WeakPolarHBondContact CG2-CE1 3.34Å; T33-H88 WeakPolarHBondContact CG2-NE2 3.34Å
34	T	77.4	Confident	68.4	Low	1 Å²	1	68.9 Å²	68.9	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-91.1	-15.6	-179	68.7	0	0	0	0	113.4	D32 E36 F37 S38 F86	D32-T34 PolarHBondContact O-N 2.84Å; D32-T34 PolarHBondContact OD1-N 2.92Å; D32-T34 VanDerWaalsContact OD1-N 3.1Å; D32-T34 PolarHBondContact OD1-OG1 2.96Å; T34-E36 PolarHBondContact O-N 3.33Å; T34-F37 PolarHBondContact O-N 3.27Å; T34-S38 WeakPolarHBondContact O-CB 3.4Å; T34-S38 PolarHBondContact O-N 2.9Å; T34-S38 PolarHBondContact O-OG 3.32Å; T34-F86 HydrophobicContact CG2-CE1 4.4Å
35	S	88.3	Confident	71.7	Confident	14 Å²	14	63 Å²	63	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-39.9	179.1	-92.6	0	0	0	0	112.2	D32 S38 V39	D32-S35 VanDerWaalsContact CG-OG 3.28Å; D32-S35 WeakPolarHBondContact O-CB 3.43Å; D32-S35 PolarHBondContact O-N 3Å; D32-S35 PolarHBondContact OD1-N 3.05Å; D32-S35 WeakPolarHBondContact OD2-CB 3.41Å; D32-S35 PolarHBondContact OD2-OG 3.49Å; S35-S38 WeakPolarHBondContact O-CB 3.33Å; S35-S38 PolarHBondContact O-N 3.01Å; S35-V39 WeakPolarHBondContact O-CG2 2.98Å; S35-V39 PolarHBondContact O-N 3.48Å
36	E	92	Very high	74.7	Confident	95 Å²	95	54.5 Å²	54.5	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-44.7	175.9	-174.7	60	-153.3	0	0	111	T34 S38 V39 R40 A281	T34-E36 PolarHBondContact O-N 3.33Å; E36-S38 VanDerWaalsContact C-N 3.3Å; E36-S38 PolarHBondContact O-N 3.02Å; E36-V39 PolarHBondContact O-N 3.37Å; E36-R40 VanDerWaalsContact O-CG 3.31Å; E36-R40 WeakPolarHBondContact O-CG 3.49Å; E36-R40 PolarHBondContact O-N 2.89Å; E36-A281 HydrophobicContact CB-CB 4.45Å
37	F	94.6	Very high	77.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-42.3	174.7	177.9	-120.2	0	0	0	112	T34 V39 R40 L41 V61 S62 L65 A83 V84 L315 L318	T34-F37 PolarHBondContact O-N 3.27Å; F37-V39 PolarHBondContact O-N 3.5Å; F37-R40 PolarHBondContact O-N 3.3Å; F37-L41 HydrophobicContact CD1-CD1 3.89Å; F37-L41 HydrophobicContact CD2-CD1 4.43Å; F37-L41 HydrophobicContact CD2-CG 4.35Å; F37-L41 HydrophobicContact CE1-CD1 3.39Å; F37-L41 HydrophobicContact CE1-CG 4.25Å; F37-L41 HydrophobicContact CE2-CD1 3.99Å; F37-L41 HydrophobicContact CE2-CD2 4.35Å; F37-L41 HydrophobicContact CE2-CG 3.94Å; F37-L41 HydrophobicContact CG-CD1 4.39Å; F37-L41 HydrophobicContact CZ-CD1 3.46Å; F37-L41 VanDerWaalsContact CZ-CD1 3.46Å; F37-L41 HydrophobicContact CZ-CD2 4.23Å; F37-L41 HydrophobicContact CZ-CG 3.89Å; F37-L41 WeakPolarHBondContact O-CB 3.46Å; F37-L41 PolarHBondContact O-N 2.98Å; F37-V61 HydrophobicContact CE1-CB 4.32Å; F37-V61 HydrophobicContact CE1-CG1 3.91Å; F37-V61 HydrophobicContact CZ-CG1 3.84Å; F37-S62 WeakPolarHBondContact CD1-OG 3.38Å; F37-L65 HydrophobicContact CE1-CD1 4.27Å; F37-L65 HydrophobicContact CE2-CD1 4.47Å; F37-L65 HydrophobicContact CZ-CD1 3.68Å; F37-A83 WeakPolarHBondContact CD2-O 3.24Å; F37-V84 HydrophobicContact CD1-CG1 4.19Å; F37-V84 HydrophobicContact CE1-CG2 4.43Å; F37-V84 HydrophobicContact CE2-CG2 4.43Å; F37-V84 HydrophobicContact CG-CG1 4.43Å; F37-V84 HydrophobicContact CZ-CG2 4.29Å; F37-L315 HydrophobicContact CE2-CD2 4.47Å; F37-L315 HydrophobicContact CZ-CD2 4.19Å; F37-L318 HydrophobicContact CE2-CD1 4Å
38	S	95.7	Very high	80	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-50	176.4	-54.3	0	0	0	0	111.9	T34 S35 E36 L41 Y42 F56 P58	T34-S38 WeakPolarHBondContact O-CB 3.4Å; T34-S38 PolarHBondContact O-N 2.9Å; T34-S38 PolarHBondContact O-OG 3.32Å; S35-S38 WeakPolarHBondContact O-CB 3.33Å; S35-S38 PolarHBondContact O-N 3.01Å; E36-S38 VanDerWaalsContact C-N 3.3Å; E36-S38 PolarHBondContact O-N 3.02Å; S38-L41 WeakPolarHBondContact O-CB 3.46Å; S38-L41 PolarHBondContact O-N 3.44Å; S38-Y42 PolarHBondContact O-N 2.99Å; S38-F56 WeakPolarHBondContact O-CZ 3.35Å; S38-P58 WeakPolarHBondContact OG-CB 3.26Å; S38-P58 WeakPolarHBondContact OG-CG 3.34Å
39	V	96.4	Very high	82	Confident	4 Å²	4	47 Å²	47	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-42.6	-179.8	168	0	0	0	0	111.4	S35 E36 F37 L41 Y42 H43 I279 L284 M399	S35-V39 WeakPolarHBondContact O-CG2 2.98Å; S35-V39 PolarHBondContact O-N 3.48Å; E36-V39 PolarHBondContact O-N 3.37Å; F37-V39 PolarHBondContact O-N 3.5Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 3.02Å; V39-Y42 WeakPolarHBondContact O-CB 3.03Å; V39-Y42 PolarHBondContact O-N 2.91Å; V39-H43 VanDerWaalsContact CG1-CD2 3.4Å; V39-H43 WeakPolarHBondContact CG1-CD2 3.31Å; V39-H43 WeakPolarHBondContact CG1-NE2 3.42Å; V39-H43 PolarHBondContact O-CD2 2.84Å; V39-H43 PolarHBondContact O-N 3.15Å; V39-I279 WeakPolarHBondContact CG1-O 3.38Å; V39-L284 HydrophobicContact CG2-CD1 3.86Å; V39-L284 HydrophobicContact CG2-CG 4.49Å; V39-M399 HydrophobicContact CG2-CE 4.26Å
40	R	96.1	Very high	84	Confident	78 Å²	78	44 Å²	44	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.6	-65.9	-175.3	-29.7	159.3	18.1	111.6	E36 F37 H43 R44 A83 L318	E36-R40 VanDerWaalsContact O-CG 3.31Å; E36-R40 WeakPolarHBondContact O-CG 3.49Å; E36-R40 PolarHBondContact O-N 2.89Å; F37-R40 PolarHBondContact O-N 3.3Å; R40-H43 PolarHBondContact O-N 3.47Å; R40-R44 WeakPolarHBondContact O-CG 3.16Å; R40-R44 PolarHBondContact O-N 3.35Å; R40-R44 VanDerWaalsContact O-N 3.1Å; R40-A83 PolarHBondContact NH2-O 3.19Å; R40-L318 HydrophobicContact CB-CD2 3.76Å
41	L	96.1	Very high	85.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-47.8	172.8	-82.8	172.3	0	0	0	111.5	F37 S38 V39 H43 R44 L45 F56 V61 I314 L315 L318	F37-L41 HydrophobicContact CD1-CD1 3.89Å; F37-L41 HydrophobicContact CD2-CD1 4.43Å; F37-L41 HydrophobicContact CD2-CG 4.35Å; F37-L41 HydrophobicContact CE1-CD1 3.39Å; F37-L41 HydrophobicContact CE1-CG 4.25Å; F37-L41 HydrophobicContact CE2-CD1 3.99Å; F37-L41 HydrophobicContact CE2-CD2 4.35Å; F37-L41 HydrophobicContact CE2-CG 3.94Å; F37-L41 HydrophobicContact CG-CD1 4.39Å; F37-L41 HydrophobicContact CZ-CD1 3.46Å; F37-L41 VanDerWaalsContact CZ-CD1 3.46Å; F37-L41 HydrophobicContact CZ-CD2 4.23Å; F37-L41 HydrophobicContact CZ-CG 3.89Å; F37-L41 WeakPolarHBondContact O-CB 3.46Å; F37-L41 PolarHBondContact O-N 2.98Å; S38-L41 WeakPolarHBondContact O-CB 3.46Å; S38-L41 PolarHBondContact O-N 3.44Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 3.02Å; L41-H43 PolarHBondContact O-N 3.03Å; L41-R44 PolarHBondContact O-N 3.47Å; L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.42Å; L41-F56 HydrophobicContact CB-CD2 4.31Å; L41-F56 HydrophobicContact CB-CE2 3.46Å; L41-F56 VanDerWaalsContact CB-CE2 3.46Å; L41-F56 HydrophobicContact CB-CZ 3.81Å; L41-F56 HydrophobicContact CD1-CD2 4.26Å; L41-F56 HydrophobicContact CD1-CE2 3.79Å; L41-F56 HydrophobicContact CG-CE2 4.27Å; L41-V61 HydrophobicContact CD1-CB 4.36Å; L41-V61 HydrophobicContact CD1-CG1 4.28Å; L41-I314 HydrophobicContact CD2-CG2 3.6Å; L41-L315 HydrophobicContact CD2-CD2 4.45Å; L41-L318 HydrophobicContact CD2-CD1 3.5Å; L41-L318 HydrophobicContact CG-CD1 3.85Å
42	Y	97.1	Very high	87.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.2	-49.5	177.6	178.4	-93.3	0	0	0	111.7	S38 V39 R44 L45 Q46 I54 F56 E276 I279 F385 M399	S38-Y42 PolarHBondContact O-N 2.99Å; V39-Y42 WeakPolarHBondContact O-CB 3.03Å; V39-Y42 PolarHBondContact O-N 2.91Å; Y42-R44 VanDerWaalsContact C-N 3.28Å; Y42-R44 PolarHBondContact O-N 3.21Å; Y42-L45 PolarHBondContact O-N 2.67Å; Y42-L45 VanDerWaalsContact O-N 3.15Å; Y42-Q46 HydrophobicContact CE1-CB 4.32Å; Y42-Q46 HydrophobicContact CE1-CG 4.5Å; Y42-Q46 VanDerWaalsContact O-CB 3.29Å; Y42-Q46 WeakPolarHBondContact O-CB 3.34Å; Y42-Q46 PolarHBondContact O-N 3.27Å; Y42-I54 HydrophobicContact CD2-CG2 4.48Å; Y42-F56 HydrophobicContact CD2-CE1 4.02Å; Y42-F56 HydrophobicContact CG-CE1 4.47Å; Y42-E276 HydrophobicContact CE1-CB 4.4Å; Y42-E276 HydrophobicContact CE1-CG 4.28Å; Y42-E276 PolarHBondContact OH-OE1 2.75Å; Y42-I279 HydrophobicContact CE1-CD1 4.47Å; Y42-F385 HydrophobicContact CD2-CD2 4.49Å; Y42-F385 AromaticContact CD2-CE2 3.9Å; Y42-F385 HydrophobicContact CD2-CE2 3.9Å; Y42-F385 HydrophobicContact CE1-CD2 4.42Å; Y42-F385 HydrophobicContact CE1-CE2 4.29Å; Y42-F385 AromaticContact CE2-CD2 3.71Å; Y42-F385 HydrophobicContact CE2-CD2 3.71Å; Y42-F385 AromaticContact CE2-CE2 3.57Å; Y42-F385 HydrophobicContact CE2-CE2 3.57Å; Y42-F385 HydrophobicContact CG-CE2 4.38Å; Y42-F385 AromaticContact CZ-CD2 3.67Å; Y42-F385 AromaticContact CZ-CE2 3.78Å; Y42-M399 VanDerWaalsContact CB-SD 3.57Å; Y42-M399 HydrophobicContact CD2-CG 3.95Å; Y42-M399 HydrophobicContact CD2-SD 4.09Å; Y42-M399 HydrophobicContact CG-CG 4.44Å; Y42-M399 HydrophobicContact CG-SD 3.97Å
43	H	96.3	Very high	89.5	Confident	53 Å²	53	44.6 Å²	44.6	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-34	179.5	-75.5	-60.2	0	0	0	113	V39 R40 L41 A47 E276 I279	V39-H43 VanDerWaalsContact CG1-CD2 3.4Å; V39-H43 WeakPolarHBondContact CG1-CD2 3.31Å; V39-H43 WeakPolarHBondContact CG1-NE2 3.42Å; V39-H43 PolarHBondContact O-CD2 2.84Å; V39-H43 PolarHBondContact O-N 3.15Å; R40-H43 PolarHBondContact O-N 3.47Å; L41-H43 PolarHBondContact O-N 3.03Å; H43-A47 WeakPolarHBondContact O-CB 3.47Å; H43-A47 PolarHBondContact O-N 2.91Å; H43-E276 PolarHBondContact CE1-O 2.9Å; H43-E276 VanDerWaalsContact CE1-O 3.24Å; H43-I279 PolarHBondContact NE2-O 2.84Å
44	R	95.4	Very high	91	Very high	109 Å²	109	43.7 Å²	43.7	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-43.8	173.4	-67.6	-56.3	-174.5	-169.7	4.4	112.1	R40 L41 Y42 A47 A48 I314 D317 L318	R40-R44 WeakPolarHBondContact O-CG 3.16Å; R40-R44 PolarHBondContact O-N 3.35Å; R40-R44 VanDerWaalsContact O-N 3.1Å; L41-R44 PolarHBondContact O-N 3.47Å; Y42-R44 VanDerWaalsContact C-N 3.28Å; Y42-R44 PolarHBondContact O-N 3.21Å; R44-A47 PolarHBondContact O-N 3.04Å; R44-A48 PolarHBondContact O-N 3.45Å; R44-I314 HydrophobicContact CB-CD1 4.19Å; R44-I314 HydrophobicContact CB-CG2 3.93Å; R44-D317 PolarHBondContact NE-O 2.94Å; R44-D317 PolarHBondContact NH2-O 2.87Å; R44-L318 HydrophobicContact CG-CD1 4.5Å; R44-L318 HydrophobicContact CG-CD2 3.73Å; R44-L318 HydrophobicContact CG-CG 4.01Å
45	L	94.9	Very high	91.9	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-41.4	176.4	-67.8	168.7	0	0	0	111.6	L41 Y42 A48 G49 I54 F56 I309 I314	L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.42Å; Y42-L45 PolarHBondContact O-N 2.67Å; Y42-L45 VanDerWaalsContact O-N 3.15Å; L45-A48 PolarHBondContact O-N 2.91Å; L45-A48 VanDerWaalsContact O-N 3.17Å; L45-G49 WeakPolarHBondContact O-CA 3.43Å; L45-G49 PolarHBondContact O-N 3.33Å; L45-I54 HydrophobicContact CB-CD1 4.35Å; L45-I54 HydrophobicContact CB-CG2 4.15Å; L45-I54 HydrophobicContact CD1-CG2 4.19Å; L45-F56 HydrophobicContact CD1-CB 3.93Å; L45-F56 HydrophobicContact CD1-CD1 3.39Å; L45-F56 HydrophobicContact CD1-CD2 4.18Å; L45-F56 HydrophobicContact CD1-CE1 3.85Å; L45-F56 HydrophobicContact CD1-CG 3.58Å; L45-F56 HydrophobicContact CD1-CZ 4.42Å; L45-I309 HydrophobicContact CD1-CD1 3.73Å; L45-I309 HydrophobicContact CD2-CD1 3.81Å; L45-I309 HydrophobicContact CD2-CG1 4.02Å; L45-I309 HydrophobicContact CD2-CG2 3.72Å; L45-I309 HydrophobicContact CG-CD1 4.44Å; L45-I314 HydrophobicContact CD2-CD1 4.02Å; L45-I314 HydrophobicContact CD2-CG1 4.05Å
46	Q	93.9	Very high	92.3	Very high	43 Å²	43	43 Å²	43	20%	0.201	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-45.9	176.5	-174.6	-137.7	23	0	0	111.6	Y42 A48 G49 I54 E276	Y42-Q46 HydrophobicContact CE1-CB 4.32Å; Y42-Q46 HydrophobicContact CE1-CG 4.5Å; Y42-Q46 VanDerWaalsContact O-CB 3.29Å; Y42-Q46 WeakPolarHBondContact O-CB 3.34Å; Y42-Q46 PolarHBondContact O-N 3.27Å; Q46-A48 PolarHBondContact O-N 2.82Å; Q46-G49 PolarHBondContact O-N 3.47Å; Q46-I54 HydrophobicContact CB-CD1 4.17Å; Q46-E276 PolarHBondContact NE2-OE2 3.48Å
47	A	91.4	Very high	92.5	Very high	84 Å²	84	38.5 Å²	38.5	69%	0.694	22%	0.218	S	C	*	.	H	α-helix	trans	-62.9	-28.7	177.1	0	0	0	0	0	113	H43 R44	H43-A47 WeakPolarHBondContact O-CB 3.47Å; H43-A47 PolarHBondContact O-N 2.91Å; R44-A47 PolarHBondContact O-N 3.04Å
48	A	85.8	Confident	92.6	Very high	80 Å²	80	38.4 Å²	38.4	66%	0.661	22%	0.217	S	C	*	.	H	α-helix	trans	-89.8	-30.9	179.1	0	0	0	0	0	113.9	R44 L45 Q46	R44-A48 PolarHBondContact O-N 3.45Å; L45-A48 PolarHBondContact O-N 2.91Å; L45-A48 VanDerWaalsContact O-N 3.17Å; Q46-A48 PolarHBondContact O-N 2.82Å
49	G	73.9	Confident	92.5	Very high	14 Å²	14	38.5 Å²	38.5	14%	0.144	22%	0.218	C	C	.	.	S	Bend	trans	-93.9	5	-163.7	0	0	0	0	0	116.7	L45 Q46 Q51 E52	L45-G49 WeakPolarHBondContact O-CA 3.43Å; L45-G49 PolarHBondContact O-N 3.33Å; Q46-G49 PolarHBondContact O-N 3.47Å; G49-Q51 PolarHBondContact O-N 3.19Å; G49-Q51 VanDerWaalsContact O-N 3.13Å; G49-E52 WeakPolarHBondContact O-CB 3.32Å; G49-E52 PolarHBondContact O-N 2.99Å
50	G	81.1	Confident	92.4	Very high	47 Å²	47	38.3 Å²	38.3	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-118.2	173.4	0	0	0	0	0	113.6	R401	G50-R401 PolarHBondContact O-NH2 3.18Å
51	Q	81.5	Confident	92.4	Very high	118 Å²	118	34.7 Å²	34.7	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	18.3	-179.9	-65.2	-65.1	-40.3	0	0	112.8	G49 M403	G49-Q51 PolarHBondContact O-N 3.19Å; G49-Q51 VanDerWaalsContact O-N 3.13Å; Q51-M403 VanDerWaalsContact O-CB 3.27Å; Q51-M403 WeakPolarHBondContact O-CB 3.33Å; Q51-M403 WeakPolarHBondContact O-CG 3.36Å; Q51-M403 VanDerWaalsContact OE1-CE 3.3Å
52	E	91.5	Very high	92.4	Very high	135 Å²	135	34.6 Å²	34.6	63%	0.631	20%	0.203	S	C	*	.	S	Bend	trans	-85.8	160.4	179.6	-61	-176.2	171.2	0	0	111.8	G49 R401 M403	G49-E52 WeakPolarHBondContact O-CB 3.32Å; G49-E52 PolarHBondContact O-N 2.99Å; E52-R401 PolarHBondContact O-NE 2.93Å; E52-R401 PolarHBondContact O-NH2 2.71Å; E52-M403 VanDerWaalsContact O-CG 3.29Å; E52-M403 WeakPolarHBondContact O-CG 3.17Å
53	N	94.8	Very high	92.3	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	20%	0.204	C	C	.	.			trans	-57.7	147.6	167.8	-67.1	-18.9	0	0	0	109.7	V305 R401 M403 T404	N53-V305 HydrophobicContact CB-CG2 3.74Å; N53-R401 WeakPolarHBondContact CA-O 3.45Å; N53-M403 PolarHBondContact OD1-N 3.07Å; N53-T404 PolarHBondContact ND2-O 3.49Å; N53-T404 PolarHBondContact OD1-N 3.29Å; N53-T404 PolarHBondContact OD1-O 3.03Å
54	I	96.3	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.2	172.8	-62.2	175.1	0	0	0	107.8	Y42 L45 Q46 F56 Q307 G400 R401	Y42-I54 HydrophobicContact CD2-CG2 4.48Å; L45-I54 HydrophobicContact CB-CD1 4.35Å; L45-I54 HydrophobicContact CB-CG2 4.15Å; L45-I54 HydrophobicContact CD1-CG2 4.19Å; Q46-I54 HydrophobicContact CB-CD1 4.17Å; I54-F56 HydrophobicContact CG2-CD1 4.11Å; I54-Q307 VanDerWaalsContact CA-OE1 3.3Å; I54-G400 CarbonylContact O-C 3.46Å; I54-G400 WeakPolarHBondContact O-CA 3.37Å; I54-R401 HydrophobicContact CB-CG 4.06Å; I54-R401 HydrophobicContact CD1-CG 4.45Å; I54-R401 HydrophobicContact CG1-CG 4.21Å; I54-R401 PolarHBondContact N-O 2.97Å; I54-R401 PolarHBondContact O-N 3.03Å
55	I	96.3	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.2	164.3	-173.4	171.6	0	0	0	110.2	V305 Q307 A348 L350 F386 F398	I55-V305 HydrophobicContact CB-CG1 4.08Å; I55-V305 HydrophobicContact CB-CG2 4.06Å; I55-V305 HydrophobicContact CD1-CG1 3.63Å; I55-V305 HydrophobicContact CG1-CG1 4.4Å; I55-V305 HydrophobicContact CG2-CB 4.44Å; I55-V305 HydrophobicContact CG2-CG1 4.19Å; I55-V305 HydrophobicContact CG2-CG2 3.74Å; I55-Q307 HydrophobicContact CG2-CB 3.69Å; I55-Q307 PolarHBondContact O-OE1 2.87Å; I55-A348 HydrophobicContact CD1-CB 4.46Å; I55-A348 HydrophobicContact CG1-CB 3.99Å; I55-A348 HydrophobicContact CG2-CB 4.11Å; I55-L350 HydrophobicContact CD1-CB 3.23Å; I55-L350 HydrophobicContact CD1-CD2 4.03Å; I55-L350 HydrophobicContact CD1-CG 4.28Å; I55-F386 HydrophobicContact CB-CZ 4.49Å; I55-F386 HydrophobicContact CD1-CZ 4.18Å; I55-F386 HydrophobicContact CG1-CZ 4.22Å; I55-F398 HydrophobicContact CD1-CD1 3.63Å; I55-F398 HydrophobicContact CD1-CE1 3.96Å; I55-F398 HydrophobicContact CD1-CG 4.33Å; I55-F398 HydrophobicContact CG1-CD1 3.67Å; I55-F398 HydrophobicContact CG1-CE1 4.22Å
56	F	97.3	Very high	92.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	163.6	173.6	75.4	-79.2	0	0	0	109.5	S38 L41 Y42 L45 I54 P58 I309 Q346 F398 M399	S38-F56 WeakPolarHBondContact O-CZ 3.35Å; L41-F56 HydrophobicContact CB-CD2 4.31Å; L41-F56 HydrophobicContact CB-CE2 3.46Å; L41-F56 VanDerWaalsContact CB-CE2 3.46Å; L41-F56 HydrophobicContact CB-CZ 3.81Å; L41-F56 HydrophobicContact CD1-CD2 4.26Å; L41-F56 HydrophobicContact CD1-CE2 3.79Å; L41-F56 HydrophobicContact CG-CE2 4.27Å; Y42-F56 HydrophobicContact CD2-CE1 4.02Å; Y42-F56 HydrophobicContact CG-CE1 4.47Å; L45-F56 HydrophobicContact CD1-CB 3.93Å; L45-F56 HydrophobicContact CD1-CD1 3.39Å; L45-F56 HydrophobicContact CD1-CD2 4.18Å; L45-F56 HydrophobicContact CD1-CE1 3.85Å; L45-F56 HydrophobicContact CD1-CG 3.58Å; L45-F56 HydrophobicContact CD1-CZ 4.42Å; I54-F56 HydrophobicContact CG2-CD1 4.11Å; F56-P58 HydrophobicContact CD2-CG 4.08Å; F56-P58 HydrophobicContact CE2-CB 4.05Å; F56-P58 HydrophobicContact CE2-CG 3.48Å; F56-P58 VanDerWaalsContact CE2-CG 3.48Å; F56-P58 HydrophobicContact CZ-CG 4Å; F56-I309 HydrophobicContact CB-CD1 3.45Å; F56-I309 VanDerWaalsContact CB-CD1 3.45Å; F56-I309 HydrophobicContact CG-CD1 4.48Å; F56-Q346 VanDerWaalsContact CB-OE1 3.27Å; F56-F398 WeakPolarHBondContact O-CA 3.44Å; F56-F398 WeakPolarHBondContact O-CD1 3.38Å; F56-M399 VanDerWaalsContact CD1-O 3.23Å; F56-M399 WeakPolarHBondContact CD1-O 3.31Å; F56-M399 HydrophobicContact CE1-CB 3.8Å; F56-M399 HydrophobicContact CE1-CG 4.11Å; F56-M399 HydrophobicContact CE1-SD 4.4Å; F56-M399 HydrophobicContact CZ-CB 3.93Å; F56-M399 HydrophobicContact CZ-CG 4.32Å; F56-M399 HydrophobicContact CZ-SD 4.15Å; F56-M399 PolarHBondContact N-O 3.14Å; F56-M399 PolarHBondContact O-N 2.79Å; F56-M399 VanDerWaalsContact O-N 3.1Å
57	S	97.1	Very high	92.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.161	C	C	.	.			trans	-112.6	103	175.2	178.6	0	0	0	0	110.2	L59 S60 V61 V192 Q346 L397	S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 2.91Å; S57-S60 PolarHBondContact O-N 3.07Å; S57-S60 VanDerWaalsContact OG-CB 3.26Å; S57-S60 WeakPolarHBondContact OG-CB 3.34Å; S57-S60 PolarHBondContact OG-N 3.14Å; S57-S60 VanDerWaalsContact OG-N 3.16Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.01Å; S57-V192 VanDerWaalsContact CB-CG1 3.48Å; S57-Q346 VanDerWaalsContact N-OE1 3.15Å; S57-Q346 PolarHBondContact O-NE2 3.22Å; S57-L397 WeakPolarHBondContact CA-O 3.41Å; S57-L397 WeakPolarHBondContact CB-O 3.45Å; S57-L397 PolarHBondContact OG-O 3.05Å
58	P	95.9	Very high	92.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-44.3	177.2	-15.8	23.2	0	0	0	112.2	S38 F56 S60 V61 S62 I396 M399	S38-P58 WeakPolarHBondContact OG-CB 3.26Å; S38-P58 WeakPolarHBondContact OG-CG 3.34Å; F56-P58 HydrophobicContact CD2-CG 4.08Å; F56-P58 HydrophobicContact CE2-CB 4.05Å; F56-P58 HydrophobicContact CE2-CG 3.48Å; F56-P58 VanDerWaalsContact CE2-CG 3.48Å; F56-P58 HydrophobicContact CZ-CG 4Å; P58-S60 VanDerWaalsContact C-N 3.33Å; P58-S60 PolarHBondContact O-N 3.43Å; P58-V61 PolarHBondContact O-N 2.8Å; P58-S62 PolarHBondContact O-N 3.06Å; P58-S62 PolarHBondContact O-OG 3.4Å; P58-S62 VanDerWaalsContact O-OG 3.06Å; P58-I396 HydrophobicContact CG-CB 4.39Å; P58-I396 HydrophobicContact CG-CG2 3.9Å; P58-M399 HydrophobicContact CG-CB 4.26Å
59	L	94.1	Very high	93.2	Very high	2 Å²	2	17 Å²	17	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-58.8	-44.8	177.5	179.1	60.2	0	0	0	111.6	S57 V61 S62 V63 L101 L105 F116 I396	S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 2.91Å; L59-V61 PolarHBondContact O-N 3.13Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-V63 HydrophobicContact CD1-CG2 4.44Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.37Å; L59-V63 PolarHBondContact O-N 2.8Å; L59-L101 HydrophobicContact CD1-CB 4.09Å; L59-L101 HydrophobicContact CD1-CD1 4.01Å; L59-L105 HydrophobicContact CD2-CD1 3.34Å; L59-F116 HydrophobicContact CD2-CZ 4.41Å; L59-I396 WeakPolarHBondContact CB-O 3.35Å; L59-I396 PolarHBondContact N-O 3.3Å
60	S	94.6	Very high	94.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-41.2	177.8	-160.2	0	0	0	0	111.9	S57 P58 V63 A64 F116 N118 N190	S57-S60 PolarHBondContact O-N 3.07Å; S57-S60 VanDerWaalsContact OG-CB 3.26Å; S57-S60 WeakPolarHBondContact OG-CB 3.34Å; S57-S60 PolarHBondContact OG-N 3.14Å; S57-S60 VanDerWaalsContact OG-N 3.16Å; P58-S60 VanDerWaalsContact C-N 3.33Å; P58-S60 PolarHBondContact O-N 3.43Å; S60-V63 PolarHBondContact O-N 3.47Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 2.96Å; S60-F116 WeakPolarHBondContact OG-CD1 3.47Å; S60-N118 PolarHBondContact OG-OD1 3.23Å; S60-N190 VanDerWaalsContact C-ND2 3.33Å; S60-N190 PolarHBondContact O-ND2 3.13Å; S60-N190 VanDerWaalsContact OG-CG 3.3Å; S60-N190 PolarHBondContact OG-ND2 3.47Å; S60-N190 PolarHBondContact OG-OD1 3.17Å; S60-N190 VanDerWaalsContact OG-OD1 3.07Å
61	V	96.1	Very high	95	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-43.9	174	177.5	0	0	0	0	111.1	F37 L41 S57 P58 L59 V63 A64 L65 L311 L315 Q346	F37-V61 HydrophobicContact CE1-CB 4.32Å; F37-V61 HydrophobicContact CE1-CG1 3.91Å; F37-V61 HydrophobicContact CZ-CG1 3.84Å; L41-V61 HydrophobicContact CD1-CB 4.36Å; L41-V61 HydrophobicContact CD1-CG1 4.28Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.01Å; P58-V61 PolarHBondContact O-N 2.8Å; L59-V61 PolarHBondContact O-N 3.13Å; V61-V63 VanDerWaalsContact C-N 3.3Å; V61-V63 PolarHBondContact O-N 3.06Å; V61-A64 PolarHBondContact O-N 3.18Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.26Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.16Å; V61-L311 HydrophobicContact CG2-CD1 4.36Å; V61-L311 HydrophobicContact CG2-CD2 3.93Å; V61-L315 HydrophobicContact CG1-CD2 4.34Å; V61-Q346 VanDerWaalsContact CG2-NE2 3.31Å
62	S	95.3	Very high	95.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.6	-39.8	177.5	-61.8	0	0	0	0	112	F37 P58 L59 L65 G66	F37-S62 WeakPolarHBondContact CD1-OG 3.38Å; P58-S62 PolarHBondContact O-N 3.06Å; P58-S62 PolarHBondContact O-OG 3.4Å; P58-S62 VanDerWaalsContact O-OG 3.06Å; L59-S62 PolarHBondContact O-N 2.93Å; S62-L65 PolarHBondContact O-N 3.36Å; S62-G66 PolarHBondContact O-N 3.4Å
63	V	94	Very high	96	Very high	6 Å²	6	7.7 Å²	7.7	4%	0.036	3%	0.033	C	C	.	.	H	α-helix	trans	-63.4	-48.5	173.9	170.4	0	0	0	0	111	L59 S60 V61 L65 G66 M67 L98 T102 F140	L59-V63 HydrophobicContact CD1-CG2 4.44Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.37Å; L59-V63 PolarHBondContact O-N 2.8Å; S60-V63 PolarHBondContact O-N 3.47Å; V61-V63 VanDerWaalsContact C-N 3.3Å; V61-V63 PolarHBondContact O-N 3.06Å; V63-L65 VanDerWaalsContact C-N 3.31Å; V63-L65 PolarHBondContact O-N 3.45Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.11Å; V63-M67 WeakPolarHBondContact O-CG 3.46Å; V63-M67 PolarHBondContact O-N 3.08Å; V63-L98 HydrophobicContact CG2-CD2 4.2Å; V63-T102 HydrophobicContact CG2-CG2 3.5Å; V63-F140 HydrophobicContact CG1-CD1 3.74Å; V63-F140 HydrophobicContact CG1-CE1 4.13Å
64	A	95.3	Very high	96.1	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-60.5	-39.2	177.7	0	0	0	0	0	112.6	S60 V61 M67 V68 L188 N190	S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 2.96Å; V61-A64 PolarHBondContact O-N 3.18Å; A64-M67 WeakPolarHBondContact O-CB 3.38Å; A64-M67 PolarHBondContact O-N 3.43Å; A64-V68 PolarHBondContact O-N 3.45Å; A64-L188 HydrophobicContact CB-CD1 4.03Å; A64-L188 HydrophobicContact CB-CD2 4.12Å; A64-L188 HydrophobicContact CB-CG 4.37Å; A64-N190 HydrophobicContact CB-CB 4.33Å
65	L	96.5	Very high	96.1	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-69.3	-36.7	173.4	-73.3	174.6	0	0	0	112.3	F37 V61 S62 V63 M67 V68 E69 I80 V84 L315 I320	F37-L65 HydrophobicContact CE1-CD1 4.27Å; F37-L65 HydrophobicContact CE2-CD1 4.47Å; F37-L65 HydrophobicContact CZ-CD1 3.68Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.26Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.16Å; S62-L65 PolarHBondContact O-N 3.36Å; V63-L65 VanDerWaalsContact C-N 3.31Å; V63-L65 PolarHBondContact O-N 3.45Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.29Å; L65-V68 CarbonylContact O-C 3.57Å; L65-V68 PolarHBondContact O-N 2.96Å; L65-V68 VanDerWaalsContact O-N 3.11Å; L65-E69 WeakPolarHBondContact O-CB 3.41Å; L65-E69 PolarHBondContact O-N 2.95Å; L65-I80 HydrophobicContact CB-CG2 4.24Å; L65-V84 HydrophobicContact CB-CG2 4.25Å; L65-V84 HydrophobicContact CD1-CG2 3.53Å; L65-L315 HydrophobicContact CD1-CD2 3.94Å; L65-L315 HydrophobicContact CD2-CD1 3.98Å; L65-I320 HydrophobicContact CD1-CD1 3.91Å; L65-I320 HydrophobicContact CD2-CD1 4.19Å
66	G	95.9	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60	-36.2	172.4	0	0	0	0	0	112.8	S62 V63 E69 L70	S62-G66 PolarHBondContact O-N 3.4Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.11Å; G66-E69 WeakPolarHBondContact O-CB 3.41Å; G66-E69 PolarHBondContact O-N 3.27Å; G66-L70 PolarHBondContact O-N 3.46Å
67	M	95.9	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-41.7	172.6	-63.7	162.2	58.2	0	0	111.7	V63 A64 L65 N118 L120 F132 M136 F140 A142	V63-M67 WeakPolarHBondContact O-CG 3.46Å; V63-M67 PolarHBondContact O-N 3.08Å; A64-M67 WeakPolarHBondContact O-CB 3.38Å; A64-M67 PolarHBondContact O-N 3.43Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.29Å; M67-N118 HydrophobicContact CE-CB 4.46Å; M67-N118 HydrophobicContact SD-CB 3.86Å; M67-L120 HydrophobicContact CB-CD1 4.35Å; M67-L120 HydrophobicContact CE-CD1 4.45Å; M67-L120 HydrophobicContact CE-CG 4.15Å; M67-F132 WeakPolarHBondContact O-CE2 3.29Å; M67-M136 HydrophobicContact CB-CE 3.78Å; M67-M136 HydrophobicContact CB-SD 3.71Å; M67-M136 HydrophobicContact CE-CE 3.25Å; M67-M136 HydrophobicContact CG-CE 3.62Å; M67-M136 HydrophobicContact CG-SD 3.87Å; M67-M136 HydrophobicContact SD-CE 4.11Å; M67-F140 HydrophobicContact CB-CD2 4.39Å; M67-F140 HydrophobicContact CB-CE2 4.41Å; M67-F140 HydrophobicContact CG-CB 4.19Å; M67-F140 HydrophobicContact CG-CD1 4.24Å; M67-F140 HydrophobicContact CG-CD2 3.57Å; M67-F140 HydrophobicContact CG-CE2 3.94Å; M67-F140 HydrophobicContact CG-CG 3.73Å; M67-F140 HydrophobicContact CG-CZ 4.41Å; M67-A142 HydrophobicContact CE-CB 3.95Å; M67-A142 HydrophobicContact SD-CB 4.32Å
68	V	97.1	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69	-39.9	175.8	179.9	0	0	0	0	111	A64 L65 L70 G71 A72 I80 L120 L188 I323 L330 I341	A64-V68 PolarHBondContact O-N 3.45Å; L65-V68 CarbonylContact O-C 3.57Å; L65-V68 PolarHBondContact O-N 2.96Å; L65-V68 VanDerWaalsContact O-N 3.11Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 2.91Å; V68-G71 CarbonylContact O-C 3.48Å; V68-G71 WeakPolarHBondContact O-CA 3.35Å; V68-G71 PolarHBondContact O-N 2.95Å; V68-A72 PolarHBondContact O-N 2.96Å; V68-I80 HydrophobicContact CB-CD1 4.32Å; V68-I80 HydrophobicContact CG1-CD1 3.82Å; V68-L120 HydrophobicContact CG2-CD2 4.3Å; V68-L188 HydrophobicContact CG2-CD1 4.45Å; V68-L188 HydrophobicContact CG2-CD2 4.09Å; V68-I323 HydrophobicContact CG1-CD1 4.15Å; V68-I323 HydrophobicContact CG1-CG2 4.32Å; V68-L330 HydrophobicContact CG1-CD2 4.03Å; V68-I341 HydrophobicContact CB-CD1 4.48Å; V68-I341 HydrophobicContact CG1-CD1 3.86Å; V68-I341 HydrophobicContact CG2-CD1 3.72Å
69	E	97.1	Very high	96.3	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-41.3	179.9	-168.1	-173.8	163.7	0	0	112	L65 G66 G71 A72 L77 I80 R81 F95	L65-E69 WeakPolarHBondContact O-CB 3.41Å; L65-E69 PolarHBondContact O-N 2.95Å; G66-E69 WeakPolarHBondContact O-CB 3.41Å; G66-E69 PolarHBondContact O-N 3.27Å; E69-G71 PolarHBondContact O-N 2.82Å; E69-A72 PolarHBondContact O-N 2.71Å; E69-A72 VanDerWaalsContact O-N 3.1Å; E69-L77 HydrophobicContact CG-CD1 3.29Å; E69-I80 HydrophobicContact CB-CG2 4.14Å; E69-I80 HydrophobicContact CG-CG2 4.32Å; E69-R81 HydrophobicContact CG-CG 4.44Å; E69-R81 WeakPolarHBondContact OE1-CG 3.46Å; E69-R81 IonicContact OE1-CZ 3.44Å; E69-R81 IonicContact OE1-NH1 2.74Å; E69-R81 PolarHBondContact OE1-NH1 2.91Å; E69-F95 HydrophobicContact CB-CE1 4.03Å; E69-F95 HydrophobicContact CB-CZ 4.3Å; E69-F95 HydrophobicContact CG-CE1 4.16Å; E69-F95 HydrophobicContact CG-CZ 4.04Å
70	L	96.4	Very high	96.5	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-53.8	-38.3	174.3	-75.5	178.2	0	0	0	112.6	G66 V68 R73 F95 F132 L135 M136 Y139 F140	G66-L70 PolarHBondContact O-N 3.46Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 2.91Å; L70-R73 PolarHBondContact O-NH1 3.44Å; L70-F95 HydrophobicContact CD2-CD1 4.09Å; L70-F95 HydrophobicContact CD2-CD2 3.85Å; L70-F95 HydrophobicContact CD2-CE1 3.85Å; L70-F95 HydrophobicContact CD2-CE2 3.6Å; L70-F95 HydrophobicContact CD2-CG 4.11Å; L70-F95 HydrophobicContact CD2-CZ 3.61Å; L70-F95 HydrophobicContact CG-CD1 4.28Å; L70-F95 HydrophobicContact CG-CE1 3.93Å; L70-F95 HydrophobicContact CG-CZ 4.09Å; L70-F132 HydrophobicContact CB-CD2 3.97Å; L70-F132 HydrophobicContact CB-CE2 3.78Å; L70-L135 HydrophobicContact CD1-CB 3.81Å; L70-L135 HydrophobicContact CD2-CB 3.99Å; L70-L135 HydrophobicContact CD2-CD1 4.13Å; L70-M136 HydrophobicContact CD1-CG 4.4Å; L70-M136 HydrophobicContact CD1-SD 4Å; L70-Y139 HydrophobicContact CD2-CD2 4.33Å; L70-Y139 HydrophobicContact CD2-CE2 4.5Å; L70-F140 HydrophobicContact CD1-CD2 3.94Å; L70-F140 HydrophobicContact CD1-CE2 3.53Å; L70-F140 HydrophobicContact CG-CE2 4.11Å
71	G	96	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-87.4	-15.6	-178.5	0	0	0	0	0	114.7	V68 E69 L330 A332 M333	V68-G71 CarbonylContact O-C 3.48Å; V68-G71 WeakPolarHBondContact O-CA 3.35Å; V68-G71 PolarHBondContact O-N 2.95Å; E69-G71 PolarHBondContact O-N 2.82Å; G71-L330 CarbonylContact O-C 3.47Å; G71-L330 VanDerWaalsContact O-CA 3.26Å; G71-L330 WeakPolarHBondContact O-CA 3.05Å; G71-A332 WeakPolarHBondContact O-CB 3.45Å; G71-A332 PolarHBondContact O-N 2.81Å; G71-M333 PolarHBondContact O-N 2.79Å
72	A	97.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.			trans	-88.2	150.1	-173.4	0	0	0	0	0	113.1	V68 E69 L77 I80 D329 L330	V68-A72 PolarHBondContact O-N 2.96Å; E69-A72 PolarHBondContact O-N 2.71Å; E69-A72 VanDerWaalsContact O-N 3.1Å; A72-L77 HydrophobicContact CB-CB 4.17Å; A72-I80 HydrophobicContact CB-CD1 4.1Å; A72-D329 CarbonylContact C-O 3.19Å; A72-D329 VanDerWaalsContact CA-O 3.27Å; A72-D329 WeakPolarHBondContact CA-O 3.43Å; A72-L330 HydrophobicContact CB-CD2 4.07Å
73	R	96.6	Very high	96.5	Very high	107 Å²	107	28.9 Å²	28.9	40%	0.404	15%	0.152	S	C	.	.			trans	-136.3	169.3	174	-64	-64.7	-179.7	-90.2	3.2	111.2	L70 A75 S76 L77 D329 A332	L70-R73 PolarHBondContact O-NH1 3.44Å; R73-A75 PolarHBondContact O-N 3.06Å; R73-S76 WeakPolarHBondContact O-CB 3.41Å; R73-S76 PolarHBondContact O-N 3.2Å; R73-L77 PolarHBondContact O-N 3.42Å; R73-D329 HydrophobicContact CB-CB 4.45Å; R73-D329 WeakPolarHBondContact CB-OD2 3.38Å; R73-D329 PolarHBondContact N-O 3.32Å; R73-A332 HydrophobicContact CG-CB 4.27Å; R73-A332 VanDerWaalsContact NH1-CB 3.27Å
74	G	96.2	Very high	96.5	Very high	40 Å²	40	28.6 Å²	28.6	41%	0.412	15%	0.15	S	C	.	.	H	α-helix	trans	51.6	-135.8	177.3	0	0	0	0	0	113.5	S76 L77 E78	G74-S76 VanDerWaalsContact C-N 3.25Å; G74-S76 PolarHBondContact O-N 2.82Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 2.91Å; G74-L77 VanDerWaalsContact O-N 3.17Å; G74-E78 PolarHBondContact O-N 2.9Å; G74-E78 VanDerWaalsContact O-N 3.13Å
75	A	97.4	Very high	96.3	Very high	52 Å²	52	29.7 Å²	29.7	43%	0.43	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-30.4	-179.4	0	0	0	0	0	113.5	R73 L77 E78 E79	R73-A75 PolarHBondContact O-N 3.06Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 2.91Å; A75-E78 PolarHBondContact O-N 2.95Å; A75-E79 WeakPolarHBondContact O-CG 3.38Å; A75-E79 PolarHBondContact O-N 3.19Å
76	S	97.9	Very high	96.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-39.9	177.3	-65.6	0	0	0	0	111.6	R73 G74 I80 K322 D329	R73-S76 WeakPolarHBondContact O-CB 3.41Å; R73-S76 PolarHBondContact O-N 3.2Å; G74-S76 VanDerWaalsContact C-N 3.25Å; G74-S76 PolarHBondContact O-N 2.82Å; S76-I80 WeakPolarHBondContact O-CG1 3.28Å; S76-I80 PolarHBondContact O-N 2.96Å; S76-K322 WeakPolarHBondContact OG-CB 3.49Å; S76-D329 PolarHBondContact OG-N 3.47Å
77	L	97.6	Very high	95.9	Very high	45 Å²	45	33.2 Å²	33.2	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-67.4	-45.6	174.7	173.2	60.3	0	0	0	111.3	E69 A72 R73 G74 A75 E79 I80 R81	E69-L77 HydrophobicContact CG-CD1 3.29Å; A72-L77 HydrophobicContact CB-CB 4.17Å; R73-L77 PolarHBondContact O-N 3.42Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 2.91Å; G74-L77 VanDerWaalsContact O-N 3.17Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 2.91Å; L77-E79 PolarHBondContact O-N 3.46Å; L77-I80 PolarHBondContact O-N 3.36Å; L77-R81 HydrophobicContact CD1-CG 4.09Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.07Å; L77-R81 VanDerWaalsContact O-N 3.07Å
78	E	97.4	Very high	95.5	Very high	131 Å²	131	38.8 Å²	38.8	61%	0.612	21%	0.212	S	C	*	.	H	α-helix	trans	-61.3	-44.2	-178.8	-70.1	172.7	-179.6	0	0	112.2	G74 A75 I80 R81 E82	G74-E78 PolarHBondContact O-N 2.9Å; G74-E78 VanDerWaalsContact O-N 3.13Å; A75-E78 PolarHBondContact O-N 2.95Å; E78-I80 PolarHBondContact O-N 2.79Å; E78-R81 PolarHBondContact O-N 2.84Å; E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 3.1Å
79	E	98.2	Very high	95.1	Very high	38 Å²	38	39.9 Å²	39.9	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-43.3	177.7	-75.8	-178.1	178.2	0	0	112.3	A75 L77 A83 G319 T321 K322	A75-E79 WeakPolarHBondContact O-CG 3.38Å; A75-E79 PolarHBondContact O-N 3.19Å; L77-E79 PolarHBondContact O-N 3.46Å; E79-A83 VanDerWaalsContact O-CB 3.26Å; E79-A83 WeakPolarHBondContact O-CB 3.21Å; E79-A83 PolarHBondContact O-N 2.97Å; E79-G319 WeakPolarHBondContact CG-O 3.2Å; E79-T321 PolarHBondContact OE1-OG1 3.02Å; E79-T321 PolarHBondContact OE2-N 3Å; E79-T321 PolarHBondContact OE2-OG1 3.42Å; E79-K322 VanDerWaalsContact OE1-CG 3.23Å; E79-K322 WeakPolarHBondContact OE1-CG 3.41Å; E79-K322 WeakPolarHBondContact OE2-CG 3.35Å; E79-K322 PolarHBondContact OE2-N 2.79Å
80	I	97.6	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-50.5	177.3	-65.4	166.9	0	0	0	110	L65 V68 E69 A72 S76 L77 E78 E82 A83 V84 I320 I323	L65-I80 HydrophobicContact CB-CG2 4.24Å; V68-I80 HydrophobicContact CB-CD1 4.32Å; V68-I80 HydrophobicContact CG1-CD1 3.82Å; E69-I80 HydrophobicContact CB-CG2 4.14Å; E69-I80 HydrophobicContact CG-CG2 4.32Å; A72-I80 HydrophobicContact CB-CD1 4.1Å; S76-I80 WeakPolarHBondContact O-CG1 3.28Å; S76-I80 PolarHBondContact O-N 2.96Å; L77-I80 PolarHBondContact O-N 3.36Å; E78-I80 PolarHBondContact O-N 2.79Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.32Å; I80-A83 PolarHBondContact O-N 3.1Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 3.18Å; I80-I320 HydrophobicContact CG1-CG2 4.13Å; I80-I323 HydrophobicContact CD1-CD1 4.31Å; I80-I323 HydrophobicContact CD1-CG2 4.05Å; I80-I323 HydrophobicContact CG1-CD1 4.38Å
81	R	95.8	Very high	94.3	Very high	22 Å²	22	50.9 Å²	50.9	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-41.4	-177.8	-70.2	179.9	71.2	81.5	3.8	112.1	E69 L77 E78 G85 F86 S87 L89 E94	E69-R81 HydrophobicContact CG-CG 4.44Å; E69-R81 WeakPolarHBondContact OE1-CG 3.46Å; E69-R81 IonicContact OE1-CZ 3.44Å; E69-R81 IonicContact OE1-NH1 2.74Å; E69-R81 PolarHBondContact OE1-NH1 2.91Å; L77-R81 HydrophobicContact CD1-CG 4.09Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.07Å; L77-R81 VanDerWaalsContact O-N 3.07Å; E78-R81 PolarHBondContact O-N 2.84Å; R81-G85 CarbonylContact O-C 3.5Å; R81-G85 PolarHBondContact O-N 3.09Å; R81-G85 VanDerWaalsContact O-N 3.11Å; R81-F86 HydrophobicContact CB-CB 4.37Å; R81-F86 HydrophobicContact CG-CB 4.48Å; R81-F86 PolarHBondContact NH2-O 2.93Å; R81-F86 PolarHBondContact O-N 3.28Å; R81-S87 PolarHBondContact O-N 3.39Å; R81-S87 PolarHBondContact O-OG 2.92Å; R81-L89 PolarHBondContact NH2-O 3.01Å; R81-E94 IonicContact CZ-OE1 2.95Å; R81-E94 IonicContact CZ-OE2 2.73Å; R81-E94 IonicContact NH1-OE1 3.96Å; R81-E94 PolarHBondContact NH1-OE1 3.01Å; R81-E94 IonicContact NH1-OE2 3.4Å; R81-E94 PolarHBondContact NH1-OE2 2.81Å; R81-E94 IonicContact NH2-OE2 2.85Å; R81-E94 PolarHBondContact NH2-OE2 3.36Å
82	E	95.2	Very high	93.9	Very high	143 Å²	143	52 Å²	52	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-45.2	178.2	-174.7	174.6	176.4	0	0	111.6	E78 I80 G85 S87	E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 3.1Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.32Å; E82-G85 PolarHBondContact O-N 3.29Å; E82-S87 WeakPolarHBondContact CA-OG 3.26Å; E82-S87 PolarHBondContact N-OG 3.21Å
83	A	94.8	Very high	93.6	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-38.7	-176.8	0	0	0	0	0	113.4	F37 R40 E79 I80 G85 L318 I320	F37-A83 WeakPolarHBondContact CD2-O 3.24Å; R40-A83 PolarHBondContact NH2-O 3.19Å; E79-A83 VanDerWaalsContact O-CB 3.26Å; E79-A83 WeakPolarHBondContact O-CB 3.21Å; E79-A83 PolarHBondContact O-N 2.97Å; I80-A83 PolarHBondContact O-N 3.1Å; A83-G85 VanDerWaalsContact C-N 3.28Å; A83-L318 WeakPolarHBondContact CB-O 3.23Å; A83-I320 HydrophobicContact CB-CD1 3.57Å; A83-I320 HydrophobicContact CB-CG1 3.44Å; A83-I320 VanDerWaalsContact CB-CG1 3.44Å
84	V	93.5	Very high	93.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-79.3	-17	177.6	-171.9	0	0	0	0	111.6	F37 L65 I80 F86	F37-V84 HydrophobicContact CD1-CG1 4.19Å; F37-V84 HydrophobicContact CE1-CG2 4.43Å; F37-V84 HydrophobicContact CE2-CG2 4.43Å; F37-V84 HydrophobicContact CG-CG1 4.43Å; F37-V84 HydrophobicContact CZ-CG2 4.29Å; L65-V84 HydrophobicContact CB-CG2 4.25Å; L65-V84 HydrophobicContact CD1-CG2 3.53Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 3.18Å; V84-F86 HydrophobicContact CB-CD2 4.02Å; V84-F86 HydrophobicContact CB-CE2 3.93Å; V84-F86 HydrophobicContact CB-CG 4.4Å; V84-F86 HydrophobicContact CB-CZ 4.21Å; V84-F86 HydrophobicContact CG1-CD1 4.24Å; V84-F86 HydrophobicContact CG1-CD2 4Å; V84-F86 HydrophobicContact CG1-CE1 3.72Å; V84-F86 HydrophobicContact CG1-CE2 3.44Å; V84-F86 VanDerWaalsContact CG1-CE2 3.44Å; V84-F86 HydrophobicContact CG1-CG 4.37Å; V84-F86 HydrophobicContact CG1-CZ 3.28Å
85	G	92.3	Very high	93.3	Very high	24 Å²	24	49.3 Å²	49.3	25%	0.247	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	15.3	-179.4	0	0	0	0	0	113.8	R81 E82 A83 S87 H88	R81-G85 CarbonylContact O-C 3.5Å; R81-G85 PolarHBondContact O-N 3.09Å; R81-G85 VanDerWaalsContact O-N 3.11Å; E82-G85 PolarHBondContact O-N 3.29Å; A83-G85 VanDerWaalsContact C-N 3.28Å; G85-S87 VanDerWaalsContact C-N 3.34Å; G85-H88 PolarHBondContact O-CE1 2.99Å; G85-H88 PolarHBondContact O-ND1 2.59Å
86	F	93.3	Very high	93	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.8	-2.6	178.4	-57.7	-28.3	0	0	0	114.5	T34 R81 V84 H88 L89 E94 L98	T34-F86 HydrophobicContact CG2-CE1 4.4Å; R81-F86 HydrophobicContact CB-CB 4.37Å; R81-F86 HydrophobicContact CG-CB 4.48Å; R81-F86 PolarHBondContact NH2-O 2.93Å; R81-F86 PolarHBondContact O-N 3.28Å; V84-F86 HydrophobicContact CB-CD2 4.02Å; V84-F86 HydrophobicContact CB-CE2 3.93Å; V84-F86 HydrophobicContact CB-CG 4.4Å; V84-F86 HydrophobicContact CB-CZ 4.21Å; V84-F86 HydrophobicContact CG1-CD1 4.24Å; V84-F86 HydrophobicContact CG1-CD2 4Å; V84-F86 HydrophobicContact CG1-CE1 3.72Å; V84-F86 HydrophobicContact CG1-CE2 3.44Å; V84-F86 VanDerWaalsContact CG1-CE2 3.44Å; V84-F86 HydrophobicContact CG1-CG 4.37Å; V84-F86 HydrophobicContact CG1-CZ 3.28Å; F86-H88 PolarHBondContact O-N 3.49Å; F86-H88 VanDerWaalsContact O-N 3.11Å; F86-L89 HydrophobicContact CB-CD1 4.25Å; F86-L89 HydrophobicContact CD1-CD1 3.74Å; F86-L89 HydrophobicContact CE1-CD1 4.48Å; F86-L89 HydrophobicContact CG-CD1 4.27Å; F86-L89 WeakPolarHBondContact O-CB 3.38Å; F86-L89 PolarHBondContact O-N 3.03Å; F86-E94 HydrophobicContact CB-CB 4.18Å; F86-E94 HydrophobicContact CB-CG 4.5Å; F86-E94 HydrophobicContact CD1-CB 4.04Å; F86-E94 HydrophobicContact CD2-CB 3.64Å; F86-E94 HydrophobicContact CD2-CG 3.91Å; F86-E94 HydrophobicContact CE1-CB 4.31Å; F86-E94 HydrophobicContact CE2-CB 3.94Å; F86-E94 HydrophobicContact CE2-CG 4.37Å; F86-E94 HydrophobicContact CG-CB 3.7Å; F86-E94 HydrophobicContact CG-CG 4.28Å; F86-E94 HydrophobicContact CZ-CB 4.25Å; F86-L98 HydrophobicContact CE2-CD1 4.12Å; F86-L98 HydrophobicContact CZ-CD1 4.11Å; F86-L98 HydrophobicContact CZ-CD2 4.2Å; F86-L98 HydrophobicContact CZ-CG 4.25Å
87	S	89.9	Confident	92.7	Very high	76 Å²	76	50.6 Å²	50.6	53%	0.531	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.2	-24.9	-178.5	-65.6	0	0	0	0	115.1	R81 E82 G85	R81-S87 PolarHBondContact O-N 3.39Å; R81-S87 PolarHBondContact O-OG 2.92Å; E82-S87 WeakPolarHBondContact CA-OG 3.26Å; E82-S87 PolarHBondContact N-OG 3.21Å; G85-S87 VanDerWaalsContact C-N 3.34Å
88	H	87.4	Confident	92.4	Very high	117 Å²	117	48.5 Å²	48.5	54%	0.542	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-88.9	-11	177.1	66.9	-87.1	0	0	0	113.1	T33 G85 F86	T33-H88 WeakPolarHBondContact CG2-CE1 3.34Å; T33-H88 WeakPolarHBondContact CG2-NE2 3.34Å; G85-H88 PolarHBondContact O-CE1 2.99Å; G85-H88 PolarHBondContact O-ND1 2.59Å; F86-H88 PolarHBondContact O-N 3.49Å; F86-H88 VanDerWaalsContact O-N 3.11Å
89	L	88.8	Confident	92.1	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	25%	0.25	C	C	.	.	S	Bend	trans	-81.6	148	176	-58.2	179	0	0	0	110.1	P30 R81 F86 E94 L97	P30-L89 HydrophobicContact CG-CD2 4.47Å; R81-L89 PolarHBondContact NH2-O 3.01Å; F86-L89 HydrophobicContact CB-CD1 4.25Å; F86-L89 HydrophobicContact CD1-CD1 3.74Å; F86-L89 HydrophobicContact CE1-CD1 4.48Å; F86-L89 HydrophobicContact CG-CD1 4.27Å; F86-L89 WeakPolarHBondContact O-CB 3.38Å; F86-L89 PolarHBondContact O-N 3.03Å; L89-E94 HydrophobicContact CD1-CB 3.99Å; L89-L97 HydrophobicContact CD1-CD2 4.28Å
90	L	89.6	Confident	91.6	Very high	135 Å²	135	46.9 Å²	46.9	71%	0.707	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-64	136.3	167.9	-67.4	173.8	0	0	0	109	G92 V93	L90-G92 PolarHBondContact O-N 2.87Å; L90-V93 HydrophobicContact CB-CG2 3.89Å; L90-V93 VanDerWaalsContact O-CB 3.32Å; L90-V93 WeakPolarHBondContact O-CB 3.47Å; L90-V93 WeakPolarHBondContact O-CG2 3.31Å; L90-V93 PolarHBondContact O-N 3.1Å
91	P	87.1	Confident	91.1	Very high	111 Å²	111	47.6 Å²	47.6	72%	0.721	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	131.3	179	-27.6	34.7	0	0	0	112.3
92	G	87.6	Confident	90.6	Very high	23 Å²	23	47.5 Å²	47.5	24%	0.237	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-17.5	-177.8	0	0	0	0	0	115.1	L90 E94	L90-G92 PolarHBondContact O-N 2.87Å; G92-E94 WeakPolarHBondContact CA-OE1 3.33Å; G92-E94 PolarHBondContact N-OE1 3.13Å; G92-E94 PolarHBondContact N-OE2 3.42Å
93	V	91.9	Very high	90	Very high	70 Å²	70	44.7 Å²	44.7	42%	0.424	26%	0.259	S	S	.	.	H	α-helix	trans	-71.1	-37.3	178.7	174	0	0	0	0	110.9	L90 F95 S96 L97	L90-V93 HydrophobicContact CB-CG2 3.89Å; L90-V93 VanDerWaalsContact O-CB 3.32Å; L90-V93 WeakPolarHBondContact O-CB 3.47Å; L90-V93 WeakPolarHBondContact O-CG2 3.31Å; L90-V93 PolarHBondContact O-N 3.1Å; V93-F95 PolarHBondContact O-N 3.19Å; V93-S96 PolarHBondContact O-N 3.09Å; V93-S96 VanDerWaalsContact O-N 3.12Å; V93-L97 PolarHBondContact O-N 2.86Å
94	E	92.1	Very high	89.1	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-36.2	177.3	61	-74.1	165.4	0	0	113.2	R81 F86 L89 G92 L97 L98	R81-E94 IonicContact CZ-OE1 2.95Å; R81-E94 IonicContact CZ-OE2 2.73Å; R81-E94 IonicContact NH1-OE1 3.96Å; R81-E94 PolarHBondContact NH1-OE1 3.01Å; R81-E94 IonicContact NH1-OE2 3.4Å; R81-E94 PolarHBondContact NH1-OE2 2.81Å; R81-E94 IonicContact NH2-OE2 2.85Å; R81-E94 PolarHBondContact NH2-OE2 3.36Å; F86-E94 HydrophobicContact CB-CB 4.18Å; F86-E94 HydrophobicContact CB-CG 4.5Å; F86-E94 HydrophobicContact CD1-CB 4.04Å; F86-E94 HydrophobicContact CD2-CB 3.64Å; F86-E94 HydrophobicContact CD2-CG 3.91Å; F86-E94 HydrophobicContact CE1-CB 4.31Å; F86-E94 HydrophobicContact CE2-CB 3.94Å; F86-E94 HydrophobicContact CE2-CG 4.37Å; F86-E94 HydrophobicContact CG-CB 3.7Å; F86-E94 HydrophobicContact CG-CG 4.28Å; F86-E94 HydrophobicContact CZ-CB 4.25Å; L89-E94 HydrophobicContact CD1-CB 3.99Å; G92-E94 WeakPolarHBondContact CA-OE1 3.33Å; G92-E94 PolarHBondContact N-OE1 3.13Å; G92-E94 PolarHBondContact N-OE2 3.42Å; E94-L97 WeakPolarHBondContact O-CB 3.14Å; E94-L97 PolarHBondContact O-N 3.49Å; E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.4Å; E94-L98 PolarHBondContact O-N 2.79Å
95	F	93.8	Very high	88.3	Confident	19 Å²	19	46.1 Å²	46.1	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-38.6	179.2	-52.3	-51.6	0	0	0	112.1	E69 L70 V93 L97 L98 Q99 Y139 F140	E69-F95 HydrophobicContact CB-CE1 4.03Å; E69-F95 HydrophobicContact CB-CZ 4.3Å; E69-F95 HydrophobicContact CG-CE1 4.16Å; E69-F95 HydrophobicContact CG-CZ 4.04Å; L70-F95 HydrophobicContact CD2-CD1 4.09Å; L70-F95 HydrophobicContact CD2-CD2 3.85Å; L70-F95 HydrophobicContact CD2-CE1 3.85Å; L70-F95 HydrophobicContact CD2-CE2 3.6Å; L70-F95 HydrophobicContact CD2-CG 4.11Å; L70-F95 HydrophobicContact CD2-CZ 3.61Å; L70-F95 HydrophobicContact CG-CD1 4.28Å; L70-F95 HydrophobicContact CG-CE1 3.93Å; L70-F95 HydrophobicContact CG-CZ 4.09Å; V93-F95 PolarHBondContact O-N 3.19Å; F95-L97 VanDerWaalsContact C-N 3.34Å; F95-L98 PolarHBondContact O-N 3.31Å; F95-Q99 VanDerWaalsContact O-CB 3.29Å; F95-Q99 WeakPolarHBondContact O-CB 3.2Å; F95-Q99 PolarHBondContact O-N 2.96Å; F95-Y139 HydrophobicContact CB-CD1 3.78Å; F95-Y139 HydrophobicContact CB-CD2 3.75Å; F95-Y139 HydrophobicContact CB-CE1 4.02Å; F95-Y139 HydrophobicContact CB-CE2 3.93Å; F95-Y139 HydrophobicContact CB-CG 3.67Å; F95-Y139 HydrophobicContact CD2-CE2 4.23Å; F95-Y139 HydrophobicContact CG-CD2 4.22Å; F95-Y139 HydrophobicContact CG-CE2 4.31Å; F95-F140 HydrophobicContact CD1-CE2 4.39Å; F95-F140 AromaticContact CD1-CZ 3.98Å; F95-F140 HydrophobicContact CD1-CZ 3.98Å
96	S	92.1	Very high	87.1	Confident	47 Å²	47	48.1 Å²	48.1	33%	0.329	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-34.8	175.8	-55.8	0	0	0	0	111.1	V93 N100	V93-S96 PolarHBondContact O-N 3.09Å; V93-S96 VanDerWaalsContact O-N 3.12Å; S96-N100 WeakPolarHBondContact O-CB 3.49Å; S96-N100 PolarHBondContact O-N 3.17Å; S96-N100 PolarHBondContact O-ND2 3.25Å
97	L	91.1	Very high	85.7	Confident	34 Å²	34	53 Å²	53	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-53.6	171.7	173.7	64.4	0	0	0	110.7	V29 L89 V93 E94 F95 Q99 N100 L101	V29-L97 HydrophobicContact CG1-CD1 4.39Å; L89-L97 HydrophobicContact CD1-CD2 4.28Å; V93-L97 PolarHBondContact O-N 2.86Å; E94-L97 WeakPolarHBondContact O-CB 3.14Å; E94-L97 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact C-N 3.34Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 2.93Å; L97-N100 PolarHBondContact O-N 3.44Å; L97-L101 HydrophobicContact CD1-CD1 4.09Å; L97-L101 HydrophobicContact CD1-CG 4.14Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.9Å
98	L	91.6	Very high	84	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-39.7	179.8	-70	172.3	0	0	0	112.4	V63 F86 E94 F95 L101 T102 F140	V63-L98 HydrophobicContact CG2-CD2 4.2Å; F86-L98 HydrophobicContact CE2-CD1 4.12Å; F86-L98 HydrophobicContact CZ-CD1 4.11Å; F86-L98 HydrophobicContact CZ-CD2 4.2Å; F86-L98 HydrophobicContact CZ-CG 4.25Å; E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.4Å; E94-L98 PolarHBondContact O-N 2.79Å; F95-L98 PolarHBondContact O-N 3.31Å; L98-L101 PolarHBondContact O-N 2.84Å; L98-T102 WeakPolarHBondContact O-CG2 3.31Å; L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 2.98Å; L98-F140 HydrophobicContact CB-CE1 4.11Å; L98-F140 HydrophobicContact CD1-CE1 4.09Å; L98-F140 HydrophobicContact CD1-CZ 4.32Å
99	Q	90.2	Very high	82.5	Confident	35 Å²	35	57.9 Å²	57.9	16%	0.164	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-53.5	172.8	178.2	168.7	23.6	0	0	111.1	F95 L97 L101 T102 E103 K138 Y139	F95-Q99 VanDerWaalsContact O-CB 3.29Å; F95-Q99 WeakPolarHBondContact O-CB 3.2Å; F95-Q99 PolarHBondContact O-N 2.96Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 2.93Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.37Å; Q99-T102 PolarHBondContact O-N 2.76Å; Q99-T102 VanDerWaalsContact O-N 3.13Å; Q99-T102 PolarHBondContact O-OG1 2.95Å; Q99-E103 HydrophobicContact CG-CG 4.16Å; Q99-E103 VanDerWaalsContact CG-OE1 3.23Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.17Å; Q99-E103 PolarHBondContact NE2-OE1 3.32Å; Q99-E103 WeakPolarHBondContact O-CB 3.3Å; Q99-E103 WeakPolarHBondContact O-CG 3.48Å; Q99-E103 PolarHBondContact O-N 2.93Å; Q99-K138 PolarHBondContact NE2-O 3.41Å; Q99-Y139 WeakPolarHBondContact CB-O 3.46Å
100	N	88	Confident	81.1	Confident	100 Å²	100	58.1 Å²	58.1	54%	0.535	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-38.2	-179.3	-70.6	-18.6	0	0	0	112.3	S96 L97 A104	S96-N100 WeakPolarHBondContact O-CB 3.49Å; S96-N100 PolarHBondContact O-N 3.17Å; S96-N100 PolarHBondContact O-ND2 3.25Å; L97-N100 PolarHBondContact O-N 3.44Å; N100-A104 VanDerWaalsContact O-CB 3.22Å; N100-A104 WeakPolarHBondContact O-CB 3.42Å; N100-A104 PolarHBondContact O-N 2.9Å
101	L	87.2	Confident	80.4	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-37	177.9	-70.2	-178.7	0	0	0	112.3	L59 L97 L98 Q99 L105 T393 S395	L59-L101 HydrophobicContact CD1-CB 4.09Å; L59-L101 HydrophobicContact CD1-CD1 4.01Å; L97-L101 HydrophobicContact CD1-CD1 4.09Å; L97-L101 HydrophobicContact CD1-CG 4.14Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 2.9Å; L98-L101 PolarHBondContact O-N 2.84Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.37Å; L101-L105 WeakPolarHBondContact O-CD1 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-T393 HydrophobicContact CD2-CG2 4.21Å; L101-S395 WeakPolarHBondContact CD2-OG 3.42Å
102	T	84.5	Confident	79.9	Confident	19 Å²	19	52.2 Å²	52.2	12%	0.117	29%	0.294	C	S	.	.	H	α-helix	trans	-81.2	-37.4	179.4	48.2	0	0	0	0	112.6	V63 L98 Q99 A104 L105 S106 F116	V63-T102 HydrophobicContact CG2-CG2 3.5Å; L98-T102 WeakPolarHBondContact O-CG2 3.31Å; L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 2.98Å; Q99-T102 PolarHBondContact O-N 2.76Å; Q99-T102 VanDerWaalsContact O-N 3.13Å; Q99-T102 PolarHBondContact O-OG1 2.95Å; T102-A104 VanDerWaalsContact C-N 3.34Å; T102-A104 PolarHBondContact O-N 3.36Å; T102-L105 WeakPolarHBondContact O-CB 3.44Å; T102-L105 PolarHBondContact O-N 2.72Å; T102-L105 VanDerWaalsContact O-N 3.1Å; T102-S106 PolarHBondContact O-N 2.92Å; T102-S106 PolarHBondContact O-OG 2.95Å; T102-F116 HydrophobicContact CG2-CE2 4.44Å
103	E	82.5	Confident	79.7	Confident	84 Å²	84	52.4 Å²	52.4	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-40.4	173.8	-73.7	179.2	178.5	0	0	111.3	Q99 L105 S106	Q99-E103 HydrophobicContact CG-CG 4.16Å; Q99-E103 VanDerWaalsContact CG-OE1 3.23Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.17Å; Q99-E103 PolarHBondContact NE2-OE1 3.32Å; Q99-E103 WeakPolarHBondContact O-CB 3.3Å; Q99-E103 WeakPolarHBondContact O-CG 3.48Å; Q99-E103 PolarHBondContact O-N 2.93Å; E103-L105 PolarHBondContact O-N 3.01Å; E103-S106 PolarHBondContact O-N 2.78Å; E103-S106 VanDerWaalsContact O-N 3.1Å
104	A	76.1	Confident	79.5	Confident	26 Å²	26	49.4 Å²	49.4	22%	0.215	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.6	174.6	0	0	0	0	0	114.4	N100 T102	N100-A104 VanDerWaalsContact O-CB 3.22Å; N100-A104 WeakPolarHBondContact O-CB 3.42Å; N100-A104 PolarHBondContact O-N 2.9Å; T102-A104 VanDerWaalsContact C-N 3.34Å; T102-A104 PolarHBondContact O-N 3.36Å
105	L	76.8	Confident	79.2	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.042	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-10.8	178.5	-65.7	176	0	0	0	113.2	L59 L101 T102 E103 I114 F116 M259 L397	L59-L105 HydrophobicContact CD2-CD1 3.34Å; L101-L105 WeakPolarHBondContact O-CD1 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; T102-L105 WeakPolarHBondContact O-CB 3.44Å; T102-L105 PolarHBondContact O-N 2.72Å; T102-L105 VanDerWaalsContact O-N 3.1Å; E103-L105 PolarHBondContact O-N 3.01Å; L105-I114 HydrophobicContact CB-CD1 3.75Å; L105-I114 HydrophobicContact CD1-CD1 4.39Å; L105-I114 HydrophobicContact CD2-CD1 3.8Å; L105-I114 HydrophobicContact CG-CD1 4.18Å; L105-F116 HydrophobicContact CD1-CE2 4.29Å; L105-F116 HydrophobicContact CD1-CZ 4.1Å; L105-M259 HydrophobicContact CD2-CE 4.13Å; L105-M259 HydrophobicContact CD2-SD 3.57Å; L105-M259 VanDerWaalsContact CD2-SD 3.57Å; L105-L397 HydrophobicContact CD1-CD1 4.22Å
106	S	67.1	Low	79	Confident	67 Å²	67	54.4 Å²	54.4	47%	0.469	29%	0.292	S	S	.	.			trans	-105.9	17.6	-173.8	-52.4	0	0	0	0	112.3	T102 E103 D108	T102-S106 PolarHBondContact O-N 2.92Å; T102-S106 PolarHBondContact O-OG 2.95Å; E103-S106 PolarHBondContact O-N 2.78Å; E103-S106 VanDerWaalsContact O-N 3.1Å; S106-D108 PolarHBondContact O-N 3.01Å
107	D	64.4	Low	78.8	Confident	101 Å²	101	52.2 Å²	52.2	54%	0.54	28%	0.276	S	S	.	.			trans	-71.6	117.6	179.3	-160	-15.1	0	0	0	109.8	D109 A110	D107-D109 PolarHBondContact O-N 2.86Å; D107-D109 PolarHBondContact OD1-N 2.86Å; D107-A110 WeakPolarHBondContact O-CB 3.33Å; D107-A110 PolarHBondContact O-N 3.24Å
108	D	54.8	Low	78.9	Confident	151 Å²	151	51.2 Å²	51.2	81%	0.807	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.8	-177.4	-81.3	-28.4	0	0	0	112.9	S106	S106-D108 PolarHBondContact O-N 3.01Å
109	D	54.5	Low	79	Confident	145 Å²	145	51.2 Å²	51.2	78%	0.775	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.8	171.4	-75.6	-26.9	0	0	0	112.7	D107	D107-D109 PolarHBondContact O-N 2.86Å; D107-D109 PolarHBondContact OD1-N 2.86Å
110	A	60.8	Low	79.2	Confident	28 Å²	28	49.6 Å²	49.6	23%	0.231	26%	0.264	C	S	.	.	S	Bend	trans	-79.8	138.4	-178.7	0	0	0	0	0	112.9	D107 Y112	D107-A110 WeakPolarHBondContact O-CB 3.33Å; D107-A110 PolarHBondContact O-N 3.24Å; A110-Y112 HydrophobicContact CB-CD1 4.11Å; A110-Y112 HydrophobicContact CB-CD2 4.06Å; A110-Y112 HydrophobicContact CB-CE1 3.79Å; A110-Y112 HydrophobicContact CB-CE2 3.74Å; A110-Y112 HydrophobicContact CB-CG 4.24Å; A110-Y112 PolarHBondContact O-N 2.84Å
111	H	73.6	Confident	79.6	Confident	101 Å²	101	44.8 Å²	44.8	47%	0.468	24%	0.238	S	C	.	.	S	Bend	trans	-77.3	22.9	176.9	-57.9	-87.3	0	0	0	113.8	S197 E255	H111-S197 WeakPolarHBondContact O-CB 3.38Å; H111-S197 PolarHBondContact O-N 2.8Å; H111-E255 HydrophobicContact CB-CB 3.4Å; H111-E255 VanDerWaalsContact CB-CB 3.4Å; H111-E255 HydrophobicContact CB-CG 3.35Å; H111-E255 VanDerWaalsContact CD2-CG 3.41Å; H111-E255 WeakPolarHBondContact CD2-CG 3.19Å; H111-E255 WeakPolarHBondContact ND1-CG 3.31Å
112	Y	78.1	Confident	80	Confident	21 Å²	21	44 Å²	44	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150	178.6	52	-99.1	0	0	0	109.9	A110 I114 F194 R195 M259	A110-Y112 HydrophobicContact CB-CD1 4.11Å; A110-Y112 HydrophobicContact CB-CD2 4.06Å; A110-Y112 HydrophobicContact CB-CE1 3.79Å; A110-Y112 HydrophobicContact CB-CE2 3.74Å; A110-Y112 HydrophobicContact CB-CG 4.24Å; A110-Y112 PolarHBondContact O-N 2.84Å; Y112-I114 HydrophobicContact CD2-CD1 3.66Å; Y112-I114 HydrophobicContact CD2-CG1 3.96Å; Y112-I114 HydrophobicContact CE2-CD1 3.58Å; Y112-I114 HydrophobicContact CE2-CG1 4.33Å; Y112-F194 HydrophobicContact CD2-CE2 4.37Å; Y112-F194 HydrophobicContact CG-CE2 4.26Å; Y112-R195 CarbonylContact C-O 3.59Å; Y112-R195 WeakPolarHBondContact CA-O 3.33Å; Y112-M259 HydrophobicContact CD1-CB 4.4Å; Y112-M259 HydrophobicContact CD1-CG 4.04Å; Y112-M259 HydrophobicContact CE1-CB 4.26Å; Y112-M259 HydrophobicContact CE1-CG 3.57Å; Y112-M259 HydrophobicContact CE2-CG 4.17Å
113	V	82.6	Confident	80.6	Confident	26 Å²	26	44.3 Å²	44.3	16%	0.158	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.4	174.9	176.7	0	0	0	0	108.3	R115 Y193 F194 R195	V113-R115 HydrophobicContact CG1-CG 3.99Å; V113-Y193 HydrophobicContact CG1-CD1 4.34Å; V113-Y193 HydrophobicContact CG1-CE1 3.9Å; V113-F194 WeakPolarHBondContact O-CA 3.47Å; V113-R195 PolarHBondContact N-O 2.96Å; V113-R195 PolarHBondContact O-N 3.47Å
114	I	87.1	Confident	81.1	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.2	166.6	-66.6	163.9	0	0	0	107.7	L105 Y112 F116 F194 L397	L105-I114 HydrophobicContact CB-CD1 3.75Å; L105-I114 HydrophobicContact CD1-CD1 4.39Å; L105-I114 HydrophobicContact CD2-CD1 3.8Å; L105-I114 HydrophobicContact CG-CD1 4.18Å; Y112-I114 HydrophobicContact CD2-CD1 3.66Å; Y112-I114 HydrophobicContact CD2-CG1 3.96Å; Y112-I114 HydrophobicContact CE2-CD1 3.58Å; Y112-I114 HydrophobicContact CE2-CG1 4.33Å; I114-F116 HydrophobicContact CG2-CD2 3.75Å; I114-F116 HydrophobicContact CG2-CE1 4.41Å; I114-F116 HydrophobicContact CG2-CE2 3.28Å; I114-F116 HydrophobicContact CG2-CG 4.49Å; I114-F116 HydrophobicContact CG2-CZ 3.67Å; I114-F194 HydrophobicContact CD1-CD2 4.15Å; I114-F194 HydrophobicContact CD1-CE2 4.4Å; I114-F194 HydrophobicContact CG1-CD2 3.54Å; I114-F194 HydrophobicContact CG1-CE2 4.16Å; I114-L397 HydrophobicContact CD1-CD2 3.7Å; I114-L397 HydrophobicContact CG1-CD2 3.92Å; I114-L397 HydrophobicContact CG2-CD1 4.45Å
115	R	87.2	Confident	81.9	Confident	83 Å²	83	48.8 Å²	48.8	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.3	172.9	-61.3	-64	173.8	-117.9	4.3	109.5	V113 H166 E168 V192 Y193	V113-R115 HydrophobicContact CG1-CG 3.99Å; R115-H166 WeakPolarHBondContact CB-O 3.31Å; R115-E168 HydrophobicContact CG-CG 4.4Å; R115-E168 IonicContact CZ-OE1 3.41Å; R115-E168 VanDerWaalsContact CZ-OE1 3.29Å; R115-E168 IonicContact NE-OE1 2.83Å; R115-E168 PolarHBondContact NE-OE1 3.41Å; R115-E168 IonicContact NH2-OE1 2.89Å; R115-E168 PolarHBondContact NH2-OE1 3.16Å; R115-V192 WeakPolarHBondContact O-CA 3.17Å; R115-Y193 HydrophobicContact CB-CD1 4.2Å; R115-Y193 HydrophobicContact CG-CD1 3.96Å; R115-Y193 PolarHBondContact N-O 3.11Å; R115-Y193 PolarHBondContact O-N 3.03Å
116	F	88	Confident	82.7	Confident	42 Å²	42	50 Å²	50	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123	169.6	-64	-76.1	0	0	0	108.7	L59 S60 T102 L105 I114 V192 L397	L59-F116 HydrophobicContact CD2-CZ 4.41Å; S60-F116 WeakPolarHBondContact OG-CD1 3.47Å; T102-F116 HydrophobicContact CG2-CE2 4.44Å; L105-F116 HydrophobicContact CD1-CE2 4.29Å; L105-F116 HydrophobicContact CD1-CZ 4.1Å; I114-F116 HydrophobicContact CG2-CD2 3.75Å; I114-F116 HydrophobicContact CG2-CE1 4.41Å; I114-F116 HydrophobicContact CG2-CE2 3.28Å; I114-F116 HydrophobicContact CG2-CG 4.49Å; I114-F116 HydrophobicContact CG2-CZ 3.67Å; F116-V192 HydrophobicContact CD1-CB 4.34Å; F116-V192 HydrophobicContact CD1-CG2 3.8Å; F116-V192 HydrophobicContact CE1-CG2 3.72Å; F116-L397 HydrophobicContact CE1-CD1 3.97Å; F116-L397 HydrophobicContact CZ-CD1 3.61Å
117	A	89.8	Confident	84	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	85.7	171.2	0	0	0	0	0	108.1	W162 H166 T167 A191	A117-W162 HydrophobicContact CB-CH2 4.1Å; A117-W162 HydrophobicContact CB-CZ3 3.7Å; A117-H166 HydrophobicContact CB-CB 3.62Å; A117-T167 HydrophobicContact CB-CG2 3.85Å; A117-A191 HydrophobicContact CB-CB 4.15Å; A117-A191 PolarHBondContact N-O 3.39Å; A117-A191 PolarHBondContact O-N 3.27Å
118	N	91.3	Very high	85.4	Confident	14 Å²	14	46.5 Å²	46.5	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.6	-176.1	-61.8	-23.4	0	0	0	109.6	S60 M67 V189 N190	S60-N118 PolarHBondContact OG-OD1 3.23Å; M67-N118 HydrophobicContact CE-CB 4.46Å; M67-N118 HydrophobicContact SD-CB 3.86Å; N118-V189 WeakPolarHBondContact CA-O 3.42Å; N118-N190 PolarHBondContact OD1-ND2 2.95Å
119	S	94.1	Very high	87.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.2	178.8	-169.9	0	0	0	0	113.1	E143 V189	S119-E143 WeakPolarHBondContact CB-O 3.38Å; S119-E143 PolarHBondContact OG-O 3.4Å; S119-V189 PolarHBondContact N-O 3.31Å; S119-V189 PolarHBondContact O-N 3.38Å
120	L	95.7	Very high	89.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125	169.3	-72	165.1	0	0	0	108.3	M67 V68 F132 M136 V144 E145 L186 T187 L188 M333	M67-L120 HydrophobicContact CB-CD1 4.35Å; M67-L120 HydrophobicContact CE-CD1 4.45Å; M67-L120 HydrophobicContact CE-CG 4.15Å; V68-L120 HydrophobicContact CG2-CD2 4.3Å; L120-F132 HydrophobicContact CD1-CE1 4.35Å; L120-F132 HydrophobicContact CD1-CZ 3.79Å; L120-M136 HydrophobicContact CD1-CE 4.4Å; L120-V144 HydrophobicContact CB-CG1 4.05Å; L120-E145 PolarHBondContact O-N 2.88Å; L120-L186 HydrophobicContact CB-CD1 4.24Å; L120-L186 HydrophobicContact CD2-CD1 4.12Å; L120-L186 HydrophobicContact CD2-CG 4.4Å; L120-T187 WeakPolarHBondContact CA-O 3.3Å; L120-L188 HydrophobicContact CD2-CB 4.08Å; L120-L188 HydrophobicContact CD2-CD1 3.65Å; L120-L188 HydrophobicContact CD2-CG 4.46Å; L120-L188 HydrophobicContact CG-CD1 4.2Å; L120-M333 HydrophobicContact CD1-CE 3.74Å; L120-M333 HydrophobicContact CD1-SD 4.22Å
121	F	96.1	Very high	91	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.3	175.9	-66.9	-87.4	0	0	0	109.4	E145 V147 F149 I159 W162 L186 T187 V189	F121-E145 WeakPolarHBondContact CA-O 3.27Å; F121-E145 HydrophobicContact CD1-CB 3.91Å; F121-E145 HydrophobicContact CE1-CB 3.93Å; F121-E145 HydrophobicContact CE1-CG 4.44Å; F121-V147 HydrophobicContact CB-CG2 4Å; F121-V147 HydrophobicContact CD1-CG1 3.82Å; F121-F149 HydrophobicContact CB-CZ 3.94Å; F121-F149 WeakPolarHBondContact O-CZ 3.31Å; F121-I159 HydrophobicContact CB-CD1 4.2Å; F121-I159 HydrophobicContact CD1-CD1 4.13Å; F121-I159 HydrophobicContact CD1-CG1 3.82Å; F121-I159 HydrophobicContact CD2-CD1 3.95Å; F121-I159 HydrophobicContact CD2-CG1 4.06Å; F121-I159 HydrophobicContact CD2-CG2 4.44Å; F121-I159 HydrophobicContact CE1-CG1 3.78Å; F121-I159 HydrophobicContact CE2-CD1 4.36Å; F121-I159 HydrophobicContact CE2-CG1 4.01Å; F121-I159 HydrophobicContact CE2-CG2 3.9Å; F121-I159 HydrophobicContact CG-CD1 3.82Å; F121-I159 HydrophobicContact CG-CG1 3.96Å; F121-I159 HydrophobicContact CZ-CB 4.39Å; F121-I159 HydrophobicContact CZ-CG1 3.87Å; F121-I159 HydrophobicContact CZ-CG2 4.14Å; F121-W162 HydrophobicContact CZ-CD2 4.09Å; F121-W162 HydrophobicContact CZ-CE3 4.12Å; F121-W162 HydrophobicContact CZ-CG 4.26Å; F121-L186 CarbonylContact O-C 3.51Å; F121-L186 WeakPolarHBondContact O-CA 3.49Å; F121-T187 PolarHBondContact N-O 3.36Å; F121-T187 PolarHBondContact O-N 3.4Å; F121-V189 HydrophobicContact CD2-CB 4.22Å; F121-V189 HydrophobicContact CD2-CG2 3.63Å; F121-V189 HydrophobicContact CE2-CB 3.9Å; F121-V189 HydrophobicContact CE2-CG1 4.49Å; F121-V189 HydrophobicContact CE2-CG2 3.64Å
122	L	96.1	Very high	92	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.5	-176.2	-178.6	69.6	0	0	0	111	E124 I126 F128 E145 T146 V147 R185 L186 L339	L122-E124 PolarHBondContact O-N 3.27Å; L122-I126 HydrophobicContact CD1-CB 4.29Å; L122-I126 HydrophobicContact CD1-CG2 4.12Å; L122-I126 HydrophobicContact CD2-CB 4.07Å; L122-I126 HydrophobicContact CD2-CG2 3.95Å; L122-I126 HydrophobicContact CG-CB 4.11Å; L122-I126 HydrophobicContact CG-CG2 4.28Å; L122-F128 HydrophobicContact CB-CE1 4.1Å; L122-F128 HydrophobicContact CB-CE2 3.62Å; L122-F128 HydrophobicContact CB-CZ 3.38Å; L122-F128 HydrophobicContact CD2-CD1 3.99Å; L122-F128 HydrophobicContact CD2-CD2 3.82Å; L122-F128 HydrophobicContact CD2-CE1 3.92Å; L122-F128 HydrophobicContact CD2-CE2 3.75Å; L122-F128 HydrophobicContact CD2-CG 3.95Å; L122-F128 HydrophobicContact CD2-CZ 3.82Å; L122-F128 HydrophobicContact CG-CE2 4.34Å; L122-F128 HydrophobicContact CG-CZ 4.18Å; L122-E145 PolarHBondContact N-O 3.24Å; L122-T146 HydrophobicContact CB-CG2 4.37Å; L122-T146 CarbonylContact O-C 3.6Å; L122-T146 WeakPolarHBondContact O-CA 3.43Å; L122-V147 PolarHBondContact O-N 3.24Å; L122-R185 CarbonylContact C-O 3.55Å; L122-R185 WeakPolarHBondContact CA-O 3.49Å; L122-L186 HydrophobicContact CB-CD1 4.43Å; L122-L186 HydrophobicContact CD1-CD1 4.2Å; L122-L339 HydrophobicContact CD1-CD1 3.73Å; L122-L339 HydrophobicContact CD1-CD2 4.12Å
123	Q	95.6	Very high	92.8	Very high	25 Å²	25	41.4 Å²	41.4	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132.6	176.5	175.9	60.6	40.8	0	0	111.8	I126 V147 D148 F149 R185	Q123-I126 HydrophobicContact CB-CD1 4.15Å; Q123-I126 WeakPolarHBondContact O-CB 3.41Å; Q123-I126 PolarHBondContact O-N 3.05Å; Q123-I126 VanDerWaalsContact O-N 3.15Å; Q123-V147 CarbonylContact C-O 3.51Å; Q123-V147 WeakPolarHBondContact CA-O 3.22Å; Q123-D148 PolarHBondContact NE2-OD1 3.17Å; Q123-F149 HydrophobicContact CB-CD2 4.07Å; Q123-F149 VanDerWaalsContact OE1-CB 3.24Å; Q123-R185 HydrophobicContact CB-CB 4.47Å; Q123-R185 PolarHBondContact N-O 3.02Å
124	E	94	Very high	93.4	Very high	124 Å²	124	46.2 Å²	46.2	58%	0.579	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137.8	172	-172.7	175.8	-171.8	0	0	111.7	L122 V147 D148	L122-E124 PolarHBondContact O-N 3.27Å; E124-V147 PolarHBondContact N-O 3.31Å; E124-D148 HydrophobicContact CB-CB 4.45Å
125	G	91.7	Very high	93.7	Very high	80 Å²	80	48.4 Å²	48.4	83%	0.825	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-8.2	-173.7	0	0	0	0	0	114
126	I	93.8	Very high	94.1	Very high	33 Å²	33	44.5 Å²	44.5	17%	0.169	25%	0.254	C	S	.	.			trans	-105.3	138.9	168.4	-51.7	-178.9	0	0	0	108.6	L122 Q123 S334	L122-I126 HydrophobicContact CD1-CB 4.29Å; L122-I126 HydrophobicContact CD1-CG2 4.12Å; L122-I126 HydrophobicContact CD2-CB 4.07Å; L122-I126 HydrophobicContact CD2-CG2 3.95Å; L122-I126 HydrophobicContact CG-CB 4.11Å; L122-I126 HydrophobicContact CG-CG2 4.28Å; Q123-I126 HydrophobicContact CB-CD1 4.15Å; Q123-I126 WeakPolarHBondContact O-CB 3.41Å; Q123-I126 PolarHBondContact O-N 3.05Å; Q123-I126 VanDerWaalsContact O-N 3.15Å; I126-S334 WeakPolarHBondContact CG2-OG 3.47Å
127	S	94.4	Very high	94.3	Very high	70 Å²	70	50.1 Å²	50.1	49%	0.49	28%	0.279	S	S	.	.			trans	-105.8	138.3	-178.6	-64	0	0	0	0	111.8	S334 D335	S127-S334 WeakPolarHBondContact O-CA 3.43Å; S127-S334 VanDerWaalsContact O-CB 3.3Å; S127-S334 WeakPolarHBondContact O-CB 3.45Å; S127-S334 PolarHBondContact O-OG 3.1Å; S127-D335 PolarHBondContact N-OD1 2.93Å; S127-D335 VanDerWaalsContact O-OD1 3.12Å
128	F	95.4	Very high	94.4	Very high	24 Å²	24	55 Å²	55	11%	0.105	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-68.9	146.4	166.9	-73.3	-74	0	0	0	110.7	L122 F132 L133 V144 T146 M333	L122-F128 HydrophobicContact CB-CE1 4.1Å; L122-F128 HydrophobicContact CB-CE2 3.62Å; L122-F128 HydrophobicContact CB-CZ 3.38Å; L122-F128 HydrophobicContact CD2-CD1 3.99Å; L122-F128 HydrophobicContact CD2-CD2 3.82Å; L122-F128 HydrophobicContact CD2-CE1 3.92Å; L122-F128 HydrophobicContact CD2-CE2 3.75Å; L122-F128 HydrophobicContact CD2-CG 3.95Å; L122-F128 HydrophobicContact CD2-CZ 3.82Å; L122-F128 HydrophobicContact CG-CE2 4.34Å; L122-F128 HydrophobicContact CG-CZ 4.18Å; F128-F132 AromaticContact CD1-CD1 3.91Å; F128-F132 HydrophobicContact CD1-CD1 3.91Å; F128-F132 AromaticContact CD1-CE1 3.88Å; F128-F132 HydrophobicContact CD1-CE1 3.88Å; F128-F132 HydrophobicContact CE1-CE1 4.04Å; F128-L133 HydrophobicContact CB-CD1 4.04Å; F128-L133 HydrophobicContact CB-CD2 3.67Å; F128-L133 HydrophobicContact CB-CG 3.79Å; F128-L133 HydrophobicContact CD2-CD2 4.16Å; F128-L133 HydrophobicContact CG-CD2 3.91Å; F128-V144 HydrophobicContact CD1-CG2 4.49Å; F128-V144 HydrophobicContact CD2-CB 4.48Å; F128-V144 HydrophobicContact CD2-CG2 3.74Å; F128-V144 HydrophobicContact CE1-CB 4.41Å; F128-V144 HydrophobicContact CE1-CG2 4.34Å; F128-V144 HydrophobicContact CE2-CB 3.8Å; F128-V144 HydrophobicContact CE2-CG2 3.55Å; F128-V144 HydrophobicContact CG-CG2 4.2Å; F128-V144 HydrophobicContact CZ-CB 3.74Å; F128-V144 HydrophobicContact CZ-CG1 4.41Å; F128-V144 HydrophobicContact CZ-CG2 3.86Å; F128-T146 HydrophobicContact CE2-CG2 4.37Å; F128-M333 WeakPolarHBondContact CA-O 3.11Å; F128-M333 HydrophobicContact CD1-CG 4Å; F128-M333 HydrophobicContact CE1-CG 4.02Å; F128-M333 HydrophobicContact CE1-SD 4.32Å
129	N	95.5	Very high	94.4	Very high	53 Å²	53	55.7 Å²	55.7	28%	0.283	30%	0.301	S	S	.	.			trans	-66.7	128.8	169.6	-176	-36.3	0	0	0	109.6	D131 F132 L133 A332 M333	N129-D131 VanDerWaalsContact C-N 3.27Å; N129-D131 PolarHBondContact O-N 3.5Å; N129-D131 PolarHBondContact OD1-N 3.04Å; N129-F132 HydrophobicContact CB-CB 4.04Å; N129-F132 WeakPolarHBondContact O-CB 3.38Å; N129-F132 PolarHBondContact O-N 2.98Å; N129-L133 PolarHBondContact O-N 2.86Å; N129-A332 WeakPolarHBondContact CB-O 3.44Å; N129-M333 PolarHBondContact N-O 3.05Å
130	P	95.1	Very high	94.2	Very high	96 Å²	96	56.8 Å²	56.8	62%	0.623	31%	0.306	S	S	*	.	H	α-helix	trans	-56.8	-35.5	179	-27.3	35.5	0	0	0	114.7	F132 L133 H134	P130-F132 VanDerWaalsContact C-N 3.34Å; P130-L133 PolarHBondContact O-N 3.13Å; P130-H134 PolarHBondContact O-N 2.87Å
131	D	95.3	Very high	93.6	Very high	118 Å²	118	63.5 Å²	63.5	63%	0.631	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-37.5	177.7	-69.4	-23.4	0	0	0	110.9	N129 H134 L135	N129-D131 VanDerWaalsContact C-N 3.27Å; N129-D131 PolarHBondContact O-N 3.5Å; N129-D131 PolarHBondContact OD1-N 3.04Å; D131-H134 PolarHBondContact O-N 3.02Å; D131-L135 VanDerWaalsContact O-CG 3.32Å; D131-L135 WeakPolarHBondContact O-CG 3.29Å; D131-L135 PolarHBondContact O-N 2.78Å
132	F	95.8	Very high	92.9	Very high	3 Å²	3	64.3 Å²	64.3	1%	0.013	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-47.2	173.5	174.6	-97.4	0	0	0	111.2	M67 L70 L120 F128 N129 P130 H134 L135 M136 A332 M333	M67-F132 WeakPolarHBondContact O-CE2 3.29Å; L70-F132 HydrophobicContact CB-CD2 3.97Å; L70-F132 HydrophobicContact CB-CE2 3.78Å; L120-F132 HydrophobicContact CD1-CE1 4.35Å; L120-F132 HydrophobicContact CD1-CZ 3.79Å; F128-F132 AromaticContact CD1-CD1 3.91Å; F128-F132 HydrophobicContact CD1-CD1 3.91Å; F128-F132 AromaticContact CD1-CE1 3.88Å; F128-F132 HydrophobicContact CD1-CE1 3.88Å; F128-F132 HydrophobicContact CE1-CE1 4.04Å; N129-F132 HydrophobicContact CB-CB 4.04Å; N129-F132 WeakPolarHBondContact O-CB 3.38Å; N129-F132 PolarHBondContact O-N 2.98Å; P130-F132 VanDerWaalsContact C-N 3.34Å; F132-H134 VanDerWaalsContact C-N 3.27Å; F132-H134 PolarHBondContact O-N 3.35Å; F132-L135 PolarHBondContact O-N 3.46Å; F132-L135 VanDerWaalsContact O-N 3.14Å; F132-M136 HydrophobicContact CD1-CG 3.92Å; F132-M136 HydrophobicContact CD2-CG 4.4Å; F132-M136 HydrophobicContact CE1-CG 3.47Å; F132-M136 VanDerWaalsContact CE1-CG 3.47Å; F132-M136 HydrophobicContact CE1-SD 4.13Å; F132-M136 HydrophobicContact CE2-CG 4.01Å; F132-M136 HydrophobicContact CE2-SD 4.08Å; F132-M136 HydrophobicContact CG-CG 4.35Å; F132-M136 HydrophobicContact CZ-CE 4.49Å; F132-M136 HydrophobicContact CZ-CG 3.51Å; F132-M136 HydrophobicContact CZ-SD 3.6Å; F132-M136 VanDerWaalsContact CZ-SD 3.6Å; F132-M136 WeakPolarHBondContact O-CB 3.49Å; F132-M136 VanDerWaalsContact O-CG 3.31Å; F132-M136 WeakPolarHBondContact O-CG 3.47Å; F132-M136 PolarHBondContact O-N 3.11Å; F132-A332 WeakPolarHBondContact CB-O 3.35Å; F132-M333 HydrophobicContact CD1-CG 4.04Å; F132-M333 HydrophobicContact CD2-CB 4.41Å; F132-M333 HydrophobicContact CD2-CG 4.37Å; F132-M333 HydrophobicContact CE1-CG 3.74Å; F132-M333 HydrophobicContact CE2-CB 4.41Å; F132-M333 HydrophobicContact CE2-CE 4.1Å; F132-M333 HydrophobicContact CE2-CG 4.08Å; F132-M333 HydrophobicContact CG-CG 4.35Å; F132-M333 HydrophobicContact CZ-CE 3.86Å; F132-M333 HydrophobicContact CZ-CG 3.77Å; F132-M333 HydrophobicContact CZ-SD 4.36Å
133	L	94.9	Very high	92.1	Very high	70 Å²	70	70 Å²	70	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-57.8	-40.4	175.8	-65.3	179.6	0	0	0	112.2	F128 N129 P130 K137 V144	F128-L133 HydrophobicContact CB-CD1 4.04Å; F128-L133 HydrophobicContact CB-CD2 3.67Å; F128-L133 HydrophobicContact CB-CG 3.79Å; F128-L133 HydrophobicContact CD2-CD2 4.16Å; F128-L133 HydrophobicContact CG-CD2 3.91Å; N129-L133 PolarHBondContact O-N 2.86Å; P130-L133 PolarHBondContact O-N 3.13Å; L133-K137 PolarHBondContact O-N 3.11Å; L133-K137 VanDerWaalsContact O-N 3.08Å; L133-V144 HydrophobicContact CD2-CG2 3.15Å
134	H	94.4	Very high	91.7	Very high	126 Å²	126	70.2 Å²	70.2	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-44.5	176.7	-179.2	68.1	0	0	0	112	P130 D131 F132 K138	P130-H134 PolarHBondContact O-N 2.87Å; D131-H134 PolarHBondContact O-N 3.02Å; F132-H134 VanDerWaalsContact C-N 3.27Å; F132-H134 PolarHBondContact O-N 3.35Å; H134-K138 WeakPolarHBondContact O-CB 3.47Å; H134-K138 PolarHBondContact O-N 3.33Å
135	L	94.4	Very high	91.5	Very high	54 Å²	54	67.6 Å²	67.6	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-38.6	179.3	-63.8	170.5	0	0	0	112.3	L70 D131 F132 K137 K138 Y139	L70-L135 HydrophobicContact CD1-CB 3.81Å; L70-L135 HydrophobicContact CD2-CB 3.99Å; L70-L135 HydrophobicContact CD2-CD1 4.13Å; D131-L135 VanDerWaalsContact O-CG 3.32Å; D131-L135 WeakPolarHBondContact O-CG 3.29Å; D131-L135 PolarHBondContact O-N 2.78Å; F132-L135 PolarHBondContact O-N 3.46Å; F132-L135 VanDerWaalsContact O-N 3.14Å; L135-K137 PolarHBondContact O-N 3.18Å; L135-K138 PolarHBondContact O-N 2.84Å; L135-Y139 HydrophobicContact CB-CD2 4.43Å; L135-Y139 HydrophobicContact CD2-CE2 3.91Å; L135-Y139 WeakPolarHBondContact O-CD2 3.23Å; L135-Y139 PolarHBondContact O-N 2.94Å
136	M	94	Very high	91.6	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-56	-49.7	173.3	-77.6	-63.2	-69.6	0	0	111.5	M67 L70 L120 F132 K138 F140 Q141 A142 V144	M67-M136 HydrophobicContact CB-CE 3.78Å; M67-M136 HydrophobicContact CB-SD 3.71Å; M67-M136 HydrophobicContact CE-CE 3.25Å; M67-M136 HydrophobicContact CG-CE 3.62Å; M67-M136 HydrophobicContact CG-SD 3.87Å; M67-M136 HydrophobicContact SD-CE 4.11Å; L70-M136 HydrophobicContact CD1-CG 4.4Å; L70-M136 HydrophobicContact CD1-SD 4Å; L120-M136 HydrophobicContact CD1-CE 4.4Å; F132-M136 HydrophobicContact CD1-CG 3.92Å; F132-M136 HydrophobicContact CD2-CG 4.4Å; F132-M136 HydrophobicContact CE1-CG 3.47Å; F132-M136 VanDerWaalsContact CE1-CG 3.47Å; F132-M136 HydrophobicContact CE1-SD 4.13Å; F132-M136 HydrophobicContact CE2-CG 4.01Å; F132-M136 HydrophobicContact CE2-SD 4.08Å; F132-M136 HydrophobicContact CG-CG 4.35Å; F132-M136 HydrophobicContact CZ-CE 4.49Å; F132-M136 HydrophobicContact CZ-CG 3.51Å; F132-M136 HydrophobicContact CZ-SD 3.6Å; F132-M136 VanDerWaalsContact CZ-SD 3.6Å; F132-M136 WeakPolarHBondContact O-CB 3.49Å; F132-M136 VanDerWaalsContact O-CG 3.31Å; F132-M136 WeakPolarHBondContact O-CG 3.47Å; F132-M136 PolarHBondContact O-N 3.11Å; M136-K138 VanDerWaalsContact C-N 3.34Å; M136-K138 PolarHBondContact O-N 3Å; M136-F140 PolarHBondContact O-N 3.39Å; M136-F140 HydrophobicContact SD-CD2 4.07Å; M136-Q141 PolarHBondContact O-N 3.22Å; M136-A142 HydrophobicContact CE-CB 3.82Å; M136-V144 HydrophobicContact CE-CG1 3.68Å
137	K	92.1	Very high	91.7	Very high	161 Å²	161	66.1 Å²	66.1	70%	0.7	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-38.8	176.6	-175.4	168	-175.9	165.4	0	112.3	L133 L135	L133-K137 PolarHBondContact O-N 3.11Å; L133-K137 VanDerWaalsContact O-N 3.08Å; L135-K137 PolarHBondContact O-N 3.18Å
138	K	92.4	Very high	91.7	Very high	103 Å²	103	65 Å²	65	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-47.9	-177.7	-178.2	-172.7	174.4	-166.8	0	112.8	Q99 H134 L135 M136	Q99-K138 PolarHBondContact NE2-O 3.41Å; H134-K138 WeakPolarHBondContact O-CB 3.47Å; H134-K138 PolarHBondContact O-N 3.33Å; L135-K138 PolarHBondContact O-N 2.84Å; M136-K138 VanDerWaalsContact C-N 3.34Å; M136-K138 PolarHBondContact O-N 3Å
139	Y	91.3	Very high	91.6	Very high	28 Å²	28	63.9 Å²	63.9	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-100.2	-29.8	-169.6	-64.9	-60.9	0	0	0	114.3	L70 F95 Q99 L135	L70-Y139 HydrophobicContact CD2-CD2 4.33Å; L70-Y139 HydrophobicContact CD2-CE2 4.5Å; F95-Y139 HydrophobicContact CB-CD1 3.78Å; F95-Y139 HydrophobicContact CB-CD2 3.75Å; F95-Y139 HydrophobicContact CB-CE1 4.02Å; F95-Y139 HydrophobicContact CB-CE2 3.93Å; F95-Y139 HydrophobicContact CB-CG 3.67Å; F95-Y139 HydrophobicContact CD2-CE2 4.23Å; F95-Y139 HydrophobicContact CG-CD2 4.22Å; F95-Y139 HydrophobicContact CG-CE2 4.31Å; Q99-Y139 WeakPolarHBondContact CB-O 3.46Å; L135-Y139 HydrophobicContact CB-CD2 4.43Å; L135-Y139 HydrophobicContact CD2-CE2 3.91Å; L135-Y139 WeakPolarHBondContact O-CD2 3.23Å; L135-Y139 PolarHBondContact O-N 2.94Å
140	F	89.4	Confident	91.4	Very high	23 Å²	23	64.7 Å²	64.7	10%	0.101	33%	0.332	C	S	.	.	H	α-helix	trans	-117.4	-8.8	-170.5	-59.4	-62.6	0	0	0	113.6	V63 M67 L70 F95 L98 M136 A142	V63-F140 HydrophobicContact CG1-CD1 3.74Å; V63-F140 HydrophobicContact CG1-CE1 4.13Å; M67-F140 HydrophobicContact CB-CD2 4.39Å; M67-F140 HydrophobicContact CB-CE2 4.41Å; M67-F140 HydrophobicContact CG-CB 4.19Å; M67-F140 HydrophobicContact CG-CD1 4.24Å; M67-F140 HydrophobicContact CG-CD2 3.57Å; M67-F140 HydrophobicContact CG-CE2 3.94Å; M67-F140 HydrophobicContact CG-CG 3.73Å; M67-F140 HydrophobicContact CG-CZ 4.41Å; L70-F140 HydrophobicContact CD1-CD2 3.94Å; L70-F140 HydrophobicContact CD1-CE2 3.53Å; L70-F140 HydrophobicContact CG-CE2 4.11Å; F95-F140 HydrophobicContact CD1-CE2 4.39Å; F95-F140 AromaticContact CD1-CZ 3.98Å; F95-F140 HydrophobicContact CD1-CZ 3.98Å; L98-F140 HydrophobicContact CB-CE1 4.11Å; L98-F140 HydrophobicContact CD1-CE1 4.09Å; L98-F140 HydrophobicContact CD1-CZ 4.32Å; M136-F140 PolarHBondContact O-N 3.39Å; M136-F140 HydrophobicContact SD-CD2 4.07Å; F140-A142 HydrophobicContact CB-CB 3.92Å; F140-A142 PolarHBondContact O-N 2.95Å
141	Q	84.3	Confident	91.4	Very high	142 Å²	142	65.4 Å²	65.4	66%	0.664	33%	0.327	S	S	*	.			trans	49.6	22.3	-171.2	-53.3	-176.6	10.6	0	0	112.7	M136	M136-Q141 PolarHBondContact O-N 3.22Å
142	A	81	Confident	91.3	Very high	16 Å²	16	61.1 Å²	61.1	13%	0.132	31%	0.306	C	S	.	.			trans	-88.3	133.1	-172.2	0	0	0	0	0	110	M67 M136 F140	M67-A142 HydrophobicContact CE-CB 3.95Å; M67-A142 HydrophobicContact SD-CB 4.32Å; M136-A142 HydrophobicContact CE-CB 3.82Å; F140-A142 HydrophobicContact CB-CB 3.92Å; F140-A142 PolarHBondContact O-N 2.95Å
143	E	79.9	Confident	91.2	Very high	120 Å²	120	65 Å²	65	56%	0.561	33%	0.333	S	S	*	.			trans	-82.3	142	166.8	-60.1	-171.7	165.8	0	0	109.2	S119	S119-E143 WeakPolarHBondContact CB-O 3.38Å; S119-E143 PolarHBondContact OG-O 3.4Å
144	V	86.6	Confident	91.2	Very high	29 Å²	29	64.9 Å²	64.9	18%	0.176	34%	0.336	C	S	.	.			trans	-119.4	143.4	171.5	-61.2	0	0	0	0	108.1	L120 F128 L133 M136	L120-V144 HydrophobicContact CB-CG1 4.05Å; F128-V144 HydrophobicContact CD1-CG2 4.49Å; F128-V144 HydrophobicContact CD2-CB 4.48Å; F128-V144 HydrophobicContact CD2-CG2 3.74Å; F128-V144 HydrophobicContact CE1-CB 4.41Å; F128-V144 HydrophobicContact CE1-CG2 4.34Å; F128-V144 HydrophobicContact CE2-CB 3.8Å; F128-V144 HydrophobicContact CE2-CG2 3.55Å; F128-V144 HydrophobicContact CG-CG2 4.2Å; F128-V144 HydrophobicContact CZ-CB 3.74Å; F128-V144 HydrophobicContact CZ-CG1 4.41Å; F128-V144 HydrophobicContact CZ-CG2 3.86Å; L133-V144 HydrophobicContact CD2-CG2 3.15Å; M136-V144 HydrophobicContact CE-CG1 3.68Å
145	E	90.4	Very high	91.2	Very high	69 Å²	69	59 Å²	59	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.8	-174	-68.7	-172.1	-170	0	0	111.3	L120 F121 L122 W162	L120-E145 PolarHBondContact O-N 2.88Å; F121-E145 WeakPolarHBondContact CA-O 3.27Å; F121-E145 HydrophobicContact CD1-CB 3.91Å; F121-E145 HydrophobicContact CE1-CB 3.93Å; F121-E145 HydrophobicContact CE1-CG 4.44Å; L122-E145 PolarHBondContact N-O 3.24Å; E145-W162 VanDerWaalsContact OE1-CD1 3.3Å
146	T	93.6	Very high	91.3	Very high	77 Å²	77	56.6 Å²	56.6	47%	0.472	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.8	168.9	54.3	0	0	0	0	110.1	L122 F128	L122-T146 HydrophobicContact CB-CG2 4.37Å; L122-T146 CarbonylContact O-C 3.6Å; L122-T146 WeakPolarHBondContact O-CA 3.43Å; F128-T146 HydrophobicContact CE2-CG2 4.37Å
147	V	94.8	Very high	91.4	Very high	6 Å²	6	62.4 Å²	62.4	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.8	-178.7	-63.7	0	0	0	0	110.2	F121 L122 Q123 E124 F149 V155	F121-V147 HydrophobicContact CB-CG2 4Å; F121-V147 HydrophobicContact CD1-CG1 3.82Å; L122-V147 PolarHBondContact O-N 3.24Å; Q123-V147 CarbonylContact C-O 3.51Å; Q123-V147 WeakPolarHBondContact CA-O 3.22Å; E124-V147 PolarHBondContact N-O 3.31Å; V147-F149 HydrophobicContact CG2-CD1 4.18Å; V147-F149 HydrophobicContact CG2-CD2 4.19Å; V147-F149 HydrophobicContact CG2-CE1 3.71Å; V147-F149 HydrophobicContact CG2-CE2 3.73Å; V147-F149 HydrophobicContact CG2-CG 4.39Å; V147-F149 HydrophobicContact CG2-CZ 3.46Å; V147-F149 VanDerWaalsContact CG2-CZ 3.46Å; V147-F149 PolarHBondContact O-N 3.26Å; V147-V155 HydrophobicContact CB-CG1 4.11Å; V147-V155 HydrophobicContact CB-CG2 4.03Å; V147-V155 HydrophobicContact CG2-CG1 3.78Å; V147-V155 HydrophobicContact CG2-CG2 4.33Å
148	D	94.3	Very high	91.6	Very high	46 Å²	46	59.2 Å²	59.2	25%	0.246	31%	0.311	C	S	.	.			trans	-94.3	92.8	176.3	-175.8	13.1	0	0	0	112	Q123 E124 S150 E151 V155	Q123-D148 PolarHBondContact NE2-OD1 3.17Å; E124-D148 HydrophobicContact CB-CB 4.45Å; D148-S150 PolarHBondContact O-N 2.74Å; D148-S150 VanDerWaalsContact OD1-CB 3.24Å; D148-S150 WeakPolarHBondContact OD1-CB 3.29Å; D148-S150 PolarHBondContact OD1-N 2.97Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 3.47Å; D148-E151 PolarHBondContact O-N 3.28Å; D148-V155 VanDerWaalsContact C-CG2 3.44Å; D148-V155 WeakPolarHBondContact O-CG2 3.32Å
149	F	94.6	Very high	91.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5	178.7	-64.5	-70.3	0	0	0	113.9	F121 Q123 V147 E151 V155 F180 T184 T187	F121-F149 HydrophobicContact CB-CZ 3.94Å; F121-F149 WeakPolarHBondContact O-CZ 3.31Å; Q123-F149 HydrophobicContact CB-CD2 4.07Å; Q123-F149 VanDerWaalsContact OE1-CB 3.24Å; V147-F149 HydrophobicContact CG2-CD1 4.18Å; V147-F149 HydrophobicContact CG2-CD2 4.19Å; V147-F149 HydrophobicContact CG2-CE1 3.71Å; V147-F149 HydrophobicContact CG2-CE2 3.73Å; V147-F149 HydrophobicContact CG2-CG 4.39Å; V147-F149 HydrophobicContact CG2-CZ 3.46Å; V147-F149 VanDerWaalsContact CG2-CZ 3.46Å; V147-F149 PolarHBondContact O-N 3.26Å; F149-E151 PolarHBondContact O-N 3.34Å; F149-V155 HydrophobicContact CD1-CG1 3.73Å; F149-V155 HydrophobicContact CE1-CG1 3.72Å; F149-F180 HydrophobicContact CD1-CB 4.49Å; F149-F180 AromaticContact CD1-CD1 3.58Å; F149-F180 HydrophobicContact CD1-CD1 3.58Å; F149-F180 AromaticContact CD1-CE1 3.99Å; F149-F180 HydrophobicContact CD1-CE1 3.99Å; F149-F180 HydrophobicContact CD1-CG 4.12Å; F149-F180 AromaticContact CE1-CD1 3.66Å; F149-F180 HydrophobicContact CE1-CD1 3.66Å; F149-F180 AromaticContact CE1-CE1 3.6Å; F149-F180 HydrophobicContact CE1-CE1 3.6Å; F149-F180 HydrophobicContact CE1-CZ 4.45Å; F149-T184 HydrophobicContact CD1-CG2 3.89Å; F149-T184 HydrophobicContact CD2-CG2 4.03Å; F149-T184 HydrophobicContact CE1-CG2 4.06Å; F149-T184 HydrophobicContact CE2-CG2 4.18Å; F149-T184 HydrophobicContact CG-CG2 3.89Å; F149-T184 HydrophobicContact CZ-CG2 4.2Å; F149-T187 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T187 WeakPolarHBondContact CZ-OG1 3.5Å
150	S	91.5	Very high	91.9	Very high	70 Å²	70	54 Å²	54	49%	0.49	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.3	169.5	89.4	0	0	0	0	112.4	D148	D148-S150 PolarHBondContact O-N 2.74Å; D148-S150 VanDerWaalsContact OD1-CB 3.24Å; D148-S150 WeakPolarHBondContact OD1-CB 3.29Å; D148-S150 PolarHBondContact OD1-N 2.97Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 3.47Å
151	E	93.6	Very high	92.2	Very high	112 Å²	112	57 Å²	57	52%	0.523	31%	0.307	S	S	.	.	S	Bend	trans	-103.6	63.3	178.3	-65.3	-64.9	156.3	0	0	111	D148 F149 S153 V154 V155	D148-E151 PolarHBondContact O-N 3.28Å; F149-E151 PolarHBondContact O-N 3.34Å; E151-S153 PolarHBondContact O-N 3.03Å; E151-V154 HydrophobicContact CB-CB 4.11Å; E151-V154 HydrophobicContact CB-CG2 4.22Å; E151-V154 PolarHBondContact O-N 3.3Å; E151-V155 PolarHBondContact O-N 3.05Å
152	S	93.8	Very high	92.7	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-48.4	-38.2	-169.5	-60	0	0	0	0	115.5	A156 A177	S152-A156 WeakPolarHBondContact O-CB 3.36Å; S152-A156 PolarHBondContact O-N 2.76Å; S152-A177 WeakPolarHBondContact CB-O 3.43Å
153	S	93.9	Very high	93.4	Very high	84 Å²	84	50.6 Å²	50.6	59%	0.587	27%	0.274	S	S	*	.	H	α-helix	trans	-71.5	-41	-179.6	-61	0	0	0	0	112.1	E151 A156 E157 A177	E151-S153 PolarHBondContact O-N 3.03Å; S153-A156 PolarHBondContact O-N 2.78Å; S153-E157 PolarHBondContact O-N 3.17Å; S153-E157 VanDerWaalsContact O-N 3.14Å; S153-A177 WeakPolarHBondContact OG-CB 3.17Å
154	V	95.1	Very high	94.1	Very high	68 Å²	68	47.3 Å²	47.3	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-43.9	178.9	179.5	0	0	0	0	109.9	E151 E157 Q158	E151-V154 HydrophobicContact CB-CB 4.11Å; E151-V154 HydrophobicContact CB-CG2 4.22Å; E151-V154 PolarHBondContact O-N 3.3Å; V154-E157 PolarHBondContact O-N 3.32Å; V154-Q158 HydrophobicContact CG1-CG 4.42Å; V154-Q158 WeakPolarHBondContact O-CG 3.44Å; V154-Q158 PolarHBondContact O-N 2.95Å
155	V	94.8	Very high	94.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-40.2	178.1	173.9	0	0	0	0	112.2	V147 D148 F149 E151 E157 Q158 I159 F180	V147-V155 HydrophobicContact CB-CG1 4.11Å; V147-V155 HydrophobicContact CB-CG2 4.03Å; V147-V155 HydrophobicContact CG2-CG1 3.78Å; V147-V155 HydrophobicContact CG2-CG2 4.33Å; D148-V155 VanDerWaalsContact C-CG2 3.44Å; D148-V155 WeakPolarHBondContact O-CG2 3.32Å; F149-V155 HydrophobicContact CD1-CG1 3.73Å; F149-V155 HydrophobicContact CE1-CG1 3.72Å; E151-V155 PolarHBondContact O-N 3.05Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 3.26Å; V155-Q158 PolarHBondContact O-N 2.92Å; V155-I159 HydrophobicContact CG1-CD1 3.62Å; V155-I159 HydrophobicContact CG1-CG1 4.23Å; V155-I159 WeakPolarHBondContact O-CG1 3.36Å; V155-I159 PolarHBondContact O-N 2.89Å; V155-F180 HydrophobicContact CG1-CE1 4.48Å; V155-F180 HydrophobicContact CG1-CE2 4.23Å; V155-F180 HydrophobicContact CG1-CZ 4.15Å
156	A	96.1	Very high	94.3	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-45.3	174.3	0	0	0	0	0	111.6	S152 S153 N160 F180	S152-A156 WeakPolarHBondContact O-CB 3.36Å; S152-A156 PolarHBondContact O-N 2.76Å; S153-A156 PolarHBondContact O-N 2.78Å; A156-N160 VanDerWaalsContact O-CB 3.26Å; A156-N160 WeakPolarHBondContact O-CB 3.35Å; A156-N160 PolarHBondContact O-N 3.13Å; A156-N160 PolarHBondContact O-ND2 2.99Å; A156-N160 VanDerWaalsContact O-ND2 3.07Å; A156-F180 HydrophobicContact CB-CD2 4.3Å; A156-F180 HydrophobicContact CB-CE2 3.77Å
157	E	96.1	Very high	94.1	Very high	122 Å²	122	48.2 Å²	48.2	57%	0.57	26%	0.259	S	S	*	.	H	α-helix	trans	-64.6	-45.7	177.2	-173	177.3	-171.5	0	0	112.1	S153 V154 V155 I159 N160 N161	S153-E157 PolarHBondContact O-N 3.17Å; S153-E157 VanDerWaalsContact O-N 3.14Å; V154-E157 PolarHBondContact O-N 3.32Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 3.26Å; E157-I159 PolarHBondContact O-N 2.97Å; E157-N160 PolarHBondContact O-N 2.74Å; E157-N161 WeakPolarHBondContact O-CB 3.35Å; E157-N161 PolarHBondContact O-N 3.34Å; E157-N161 PolarHBondContact O-ND2 3.03Å
158	Q	95.6	Very high	93.8	Very high	95 Å²	95	51.8 Å²	51.8	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-50.4	177.1	-75.7	176	-25.9	0	0	112	V154 V155 N160 N161 W162	V154-Q158 HydrophobicContact CG1-CG 4.42Å; V154-Q158 WeakPolarHBondContact O-CG 3.44Å; V154-Q158 PolarHBondContact O-N 2.95Å; V155-Q158 PolarHBondContact O-N 2.92Å; Q158-N160 PolarHBondContact O-N 2.88Å; Q158-N161 PolarHBondContact O-N 3.41Å; Q158-W162 PolarHBondContact O-N 3.05Å
159	I	95.3	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-40.6	-179.9	-65.9	172.4	0	0	0	110.7	F121 V155 E157 W162 V163 L175 F180 V189	F121-I159 HydrophobicContact CB-CD1 4.2Å; F121-I159 HydrophobicContact CD1-CD1 4.13Å; F121-I159 HydrophobicContact CD1-CG1 3.82Å; F121-I159 HydrophobicContact CD2-CD1 3.95Å; F121-I159 HydrophobicContact CD2-CG1 4.06Å; F121-I159 HydrophobicContact CD2-CG2 4.44Å; F121-I159 HydrophobicContact CE1-CG1 3.78Å; F121-I159 HydrophobicContact CE2-CD1 4.36Å; F121-I159 HydrophobicContact CE2-CG1 4.01Å; F121-I159 HydrophobicContact CE2-CG2 3.9Å; F121-I159 HydrophobicContact CG-CD1 3.82Å; F121-I159 HydrophobicContact CG-CG1 3.96Å; F121-I159 HydrophobicContact CZ-CB 4.39Å; F121-I159 HydrophobicContact CZ-CG1 3.87Å; F121-I159 HydrophobicContact CZ-CG2 4.14Å; V155-I159 HydrophobicContact CG1-CD1 3.62Å; V155-I159 HydrophobicContact CG1-CG1 4.23Å; V155-I159 WeakPolarHBondContact O-CG1 3.36Å; V155-I159 PolarHBondContact O-N 2.89Å; E157-I159 PolarHBondContact O-N 2.97Å; I159-W162 PolarHBondContact O-N 2.99Å; I159-V163 HydrophobicContact CG2-CG2 4.37Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 2.83Å; I159-L175 HydrophobicContact CB-CD1 4.31Å; I159-L175 HydrophobicContact CD1-CD1 4.18Å; I159-L175 HydrophobicContact CG2-CD1 3.66Å; I159-F180 HydrophobicContact CD1-CE1 4.22Å; I159-F180 HydrophobicContact CD1-CZ 3.75Å; I159-V189 HydrophobicContact CG2-CG1 4.36Å; I159-V189 HydrophobicContact CG2-CG2 3.82Å
160	N	96.3	Very high	93.4	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-44.3	177	-75.1	-26.2	0	0	0	112	A156 E157 Q158 W162 V163 E164 L174 L175	A156-N160 VanDerWaalsContact O-CB 3.26Å; A156-N160 WeakPolarHBondContact O-CB 3.35Å; A156-N160 PolarHBondContact O-N 3.13Å; A156-N160 PolarHBondContact O-ND2 2.99Å; A156-N160 VanDerWaalsContact O-ND2 3.07Å; E157-N160 PolarHBondContact O-N 2.74Å; Q158-N160 PolarHBondContact O-N 2.88Å; N160-W162 VanDerWaalsContact C-N 3.32Å; N160-W162 PolarHBondContact O-N 2.75Å; N160-V163 PolarHBondContact O-N 3.47Å; N160-E164 VanDerWaalsContact O-CB 3.3Å; N160-E164 WeakPolarHBondContact O-CB 3.07Å; N160-E164 PolarHBondContact O-N 2.91Å; N160-L174 WeakPolarHBondContact OD1-CA 3.05Å; N160-L174 WeakPolarHBondContact OD1-CB 3.37Å; N160-L174 PolarHBondContact OD1-N 3.02Å; N160-L175 PolarHBondContact ND2-O 3.43Å; N160-L175 PolarHBondContact OD1-N 3.32Å
161	N	95.6	Very high	93.3	Very high	84 Å²	84	51.2 Å²	51.2	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-39.8	177.1	-69.5	-19.4	0	0	0	111.5	E157 Q158 E164 N165	E157-N161 WeakPolarHBondContact O-CB 3.35Å; E157-N161 PolarHBondContact O-N 3.34Å; E157-N161 PolarHBondContact O-ND2 3.03Å; Q158-N161 PolarHBondContact O-N 3.41Å; N161-E164 PolarHBondContact O-N 2.91Å; N161-N165 WeakPolarHBondContact O-CB 3.48Å; N161-N165 PolarHBondContact O-N 3.47Å
162	W	94.8	Very high	93.2	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.095	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-49	174.2	-176.9	97.5	0	0	0	111.1	A117 F121 E145 Q158 I159 N160 E164 N165 H166	A117-W162 HydrophobicContact CB-CH2 4.1Å; A117-W162 HydrophobicContact CB-CZ3 3.7Å; F121-W162 HydrophobicContact CZ-CD2 4.09Å; F121-W162 HydrophobicContact CZ-CE3 4.12Å; F121-W162 HydrophobicContact CZ-CG 4.26Å; E145-W162 VanDerWaalsContact OE1-CD1 3.3Å; Q158-W162 PolarHBondContact O-N 3.05Å; I159-W162 PolarHBondContact O-N 2.99Å; N160-W162 VanDerWaalsContact C-N 3.32Å; N160-W162 PolarHBondContact O-N 2.75Å; W162-E164 VanDerWaalsContact C-N 3.34Å; W162-E164 PolarHBondContact O-N 3.27Å; W162-N165 PolarHBondContact O-N 3.42Å; W162-H166 AromaticContact CD1-CE1 3.68Å; W162-H166 AromaticContact CD2-CE1 3.88Å; W162-H166 AromaticContact CD2-ND1 3.61Å; W162-H166 AromaticContact CE2-CE1 3.33Å; W162-H166 AromaticContact CE2-ND1 3.49Å; W162-H166 AromaticContact CG-ND1 3.91Å; W162-H166 AromaticContact CZ2-CE1 3.76Å; W162-H166 AromaticContact CZ2-ND1 3.89Å; W162-H166 AromaticContact NE1-CE1 3.21Å; W162-H166 PolarHBondContact NE1-CE1 3.07Å; W162-H166 AromaticContact NE1-ND1 3.75Å; W162-H166 PolarHBondContact O-N 2.94Å; W162-H166 VanDerWaalsContact O-N 3.15Å; W162-H166 PolarHBondContact O-ND1 2.73Å
163	V	94.3	Very high	93.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-43.7	177.6	170.9	0	0	0	0	111.2	I159 N160 N165 H166 T167 I171 L174 V189 A191	I159-V163 HydrophobicContact CG2-CG2 4.37Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 2.83Å; N160-V163 PolarHBondContact O-N 3.47Å; V163-N165 PolarHBondContact O-N 2.8Å; V163-H166 PolarHBondContact O-N 2.97Å; V163-T167 HydrophobicContact CG1-CG2 4.22Å; V163-T167 WeakPolarHBondContact O-CB 3.46Å; V163-T167 VanDerWaalsContact O-CG2 3.29Å; V163-T167 WeakPolarHBondContact O-CG2 2.96Å; V163-T167 PolarHBondContact O-N 2.83Å; V163-T167 PolarHBondContact O-OG1 3.42Å; V163-I171 HydrophobicContact CG1-CB 4.02Å; V163-I171 HydrophobicContact CG1-CG2 3.76Å; V163-L174 HydrophobicContact CG1-CD2 4.38Å; V163-L174 HydrophobicContact CG2-CD2 3.84Å; V163-V189 HydrophobicContact CG2-CG1 3.7Å; V163-A191 HydrophobicContact CG1-CB 3.71Å
164	E	94.4	Very high	93	Very high	50 Å²	50	50.5 Å²	50.5	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-46.8	-179.3	-167.5	177	168.3	0	0	111.1	N160 N161 W162 H166 T167 E168 S169 R172	N160-E164 VanDerWaalsContact O-CB 3.3Å; N160-E164 WeakPolarHBondContact O-CB 3.07Å; N160-E164 PolarHBondContact O-N 2.91Å; N161-E164 PolarHBondContact O-N 2.91Å; W162-E164 VanDerWaalsContact C-N 3.34Å; W162-E164 PolarHBondContact O-N 3.27Å; E164-H166 VanDerWaalsContact C-N 3.29Å; E164-H166 PolarHBondContact O-N 3.47Å; E164-T167 PolarHBondContact O-N 2.76Å; E164-T167 VanDerWaalsContact O-N 3.16Å; E164-T167 PolarHBondContact O-OG1 2.6Å; E164-E168 PolarHBondContact O-N 3.23Å; E164-S169 WeakPolarHBondContact CG-OG 3.41Å; E164-S169 PolarHBondContact O-N 3.28Å; E164-S169 WeakPolarHBondContact OE1-CB 3.11Å; E164-S169 PolarHBondContact OE1-OG 2.84Å; E164-R172 HydrophobicContact CG-CG 4.2Å; E164-R172 IonicContact OE1-NE 3.3Å; E164-R172 PolarHBondContact OE1-NE 2.87Å
165	N	92.5	Very high	92.9	Very high	131 Å²	131	47.6 Å²	47.6	70%	0.701	24%	0.24	S	C	*	.	H	α-helix	trans	-62.3	-35.5	177.8	-173.7	52.5	0	0	0	112.7	N161 W162 V163 T167	N161-N165 WeakPolarHBondContact O-CB 3.48Å; N161-N165 PolarHBondContact O-N 3.47Å; W162-N165 PolarHBondContact O-N 3.42Å; V163-N165 PolarHBondContact O-N 2.8Å; N165-T167 VanDerWaalsContact C-N 3.33Å
166	H	90	Very high	92.9	Very high	64 Å²	64	49.9 Å²	49.9	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-84.7	-4.4	179.3	-70.2	85.4	0	0	0	113.8	R115 A117 W162 V163 E164	R115-H166 WeakPolarHBondContact CB-O 3.31Å; A117-H166 HydrophobicContact CB-CB 3.62Å; W162-H166 AromaticContact CD1-CE1 3.68Å; W162-H166 AromaticContact CD2-CE1 3.88Å; W162-H166 AromaticContact CD2-ND1 3.61Å; W162-H166 AromaticContact CE2-CE1 3.33Å; W162-H166 AromaticContact CE2-ND1 3.49Å; W162-H166 AromaticContact CG-ND1 3.91Å; W162-H166 AromaticContact CZ2-CE1 3.76Å; W162-H166 AromaticContact CZ2-ND1 3.89Å; W162-H166 AromaticContact NE1-CE1 3.21Å; W162-H166 PolarHBondContact NE1-CE1 3.07Å; W162-H166 AromaticContact NE1-ND1 3.75Å; W162-H166 PolarHBondContact O-N 2.94Å; W162-H166 VanDerWaalsContact O-N 3.15Å; W162-H166 PolarHBondContact O-ND1 2.73Å; V163-H166 PolarHBondContact O-N 2.97Å; E164-H166 VanDerWaalsContact C-N 3.29Å; E164-H166 PolarHBondContact O-N 3.47Å
167	T	89.1	Confident	92.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	24.3	-175.6	60	0	0	0	0	113.1	A117 V163 E164 N165 S169 K170 I171 A191	A117-T167 HydrophobicContact CB-CG2 3.85Å; V163-T167 HydrophobicContact CG1-CG2 4.22Å; V163-T167 WeakPolarHBondContact O-CB 3.46Å; V163-T167 VanDerWaalsContact O-CG2 3.29Å; V163-T167 WeakPolarHBondContact O-CG2 2.96Å; V163-T167 PolarHBondContact O-N 2.83Å; V163-T167 PolarHBondContact O-OG1 3.42Å; E164-T167 PolarHBondContact O-N 2.76Å; E164-T167 VanDerWaalsContact O-N 3.16Å; E164-T167 PolarHBondContact O-OG1 2.6Å; N165-T167 VanDerWaalsContact C-N 3.33Å; T167-S169 PolarHBondContact O-N 2.95Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.24Å; T167-I171 HydrophobicContact CG2-CB 4.16Å; T167-I171 HydrophobicContact CG2-CD1 4.03Å; T167-I171 HydrophobicContact CG2-CG1 4.22Å; T167-I171 WeakPolarHBondContact OG1-CB 3.38Å; T167-I171 PolarHBondContact OG1-N 3.46Å; T167-A191 HydrophobicContact CG2-CB 4.33Å
168	E	87.9	Confident	92.7	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	37.8	-179.5	-61.2	-178.2	-176	0	0	112.4	R115 E164 K170 Y193	R115-E168 HydrophobicContact CG-CG 4.4Å; R115-E168 IonicContact CZ-OE1 3.41Å; R115-E168 VanDerWaalsContact CZ-OE1 3.29Å; R115-E168 IonicContact NE-OE1 2.83Å; R115-E168 PolarHBondContact NE-OE1 3.41Å; R115-E168 IonicContact NH2-OE1 2.89Å; R115-E168 PolarHBondContact NH2-OE1 3.16Å; E164-E168 PolarHBondContact O-N 3.23Å; E168-K170 PolarHBondContact O-N 2.98Å; E168-K170 VanDerWaalsContact O-N 3.08Å; E168-Y193 HydrophobicContact CB-CE1 4.49Å
169	S	91.1	Very high	92.5	Very high	48 Å²	48	51 Å²	51	34%	0.336	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.8	-175.9	-69.2	0	0	0	0	116.6	E164 T167 R172	E164-S169 WeakPolarHBondContact CG-OG 3.41Å; E164-S169 PolarHBondContact O-N 3.28Å; E164-S169 WeakPolarHBondContact OE1-CB 3.11Å; E164-S169 PolarHBondContact OE1-OG 2.84Å; T167-S169 PolarHBondContact O-N 2.95Å; S169-R172 PolarHBondContact O-NE 3.21Å; S169-R172 VanDerWaalsContact O-NE 3.13Å
170	K	89.6	Confident	92.3	Very high	56 Å²	56	51.7 Å²	51.7	24%	0.243	27%	0.271	C	S	.	.			trans	-79.4	-30.8	179.7	-66.5	-69.3	-173	166.9	0	113	T167 E168 Y193 Y349 E351	T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.24Å; E168-K170 PolarHBondContact O-N 2.98Å; E168-K170 VanDerWaalsContact O-N 3.08Å; K170-Y193 HydrophobicContact CB-CD2 3.96Å; K170-Y193 HydrophobicContact CB-CE2 4.16Å; K170-Y193 HydrophobicContact CB-CG 4.15Å; K170-Y193 HydrophobicContact CD-CE2 4.3Å; K170-Y193 HydrophobicContact CG-CD1 4.36Å; K170-Y193 HydrophobicContact CG-CD2 4.03Å; K170-Y193 HydrophobicContact CG-CE1 4.05Å; K170-Y193 HydrophobicContact CG-CE2 3.72Å; K170-Y193 HydrophobicContact CG-CG 4.33Å; K170-Y349 HydrophobicContact CD-CE1 4.35Å; K170-E351 IonicContact NZ-OE2 3.29Å; K170-E351 PolarHBondContact NZ-OE2 3.47Å
171	I	90.4	Very high	91.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.282	C	S	.	.	S	Bend	trans	-106.1	99.2	177.4	-56.9	-175.5	0	0	0	109.3	V163 T167 A191 V192 K347	V163-I171 HydrophobicContact CG1-CB 4.02Å; V163-I171 HydrophobicContact CG1-CG2 3.76Å; T167-I171 HydrophobicContact CG2-CB 4.16Å; T167-I171 HydrophobicContact CG2-CD1 4.03Å; T167-I171 HydrophobicContact CG2-CG1 4.22Å; T167-I171 WeakPolarHBondContact OG1-CB 3.38Å; T167-I171 PolarHBondContact OG1-N 3.46Å; I171-A191 HydrophobicContact CD1-CB 3.81Å; I171-A191 HydrophobicContact CG2-CB 4.25Å; I171-V192 WeakPolarHBondContact CD1-O 3.3Å; I171-K347 HydrophobicContact CG2-CB 4.22Å; I171-K347 HydrophobicContact CG2-CD 3.62Å; I171-K347 HydrophobicContact CG2-CG 3.87Å
172	R	91.1	Very high	91	Very high	111 Å²	111	53.4 Å²	53.4	42%	0.419	29%	0.291	S	S	.	.			trans	-104.7	157.3	175.6	-57.4	-175.6	-175.3	155.7	8	111.2	E164 S169 L174 K347 D414	E164-R172 HydrophobicContact CG-CG 4.2Å; E164-R172 IonicContact OE1-NE 3.3Å; E164-R172 PolarHBondContact OE1-NE 2.87Å; S169-R172 PolarHBondContact O-NE 3.21Å; S169-R172 VanDerWaalsContact O-NE 3.13Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.39Å; R172-K347 PolarHBondContact O-NZ 3.06Å; R172-K347 VanDerWaalsContact O-NZ 3.09Å; R172-D414 IonicContact CZ-OD2 3.69Å; R172-D414 IonicContact NH1-OD2 2.74Å; R172-D414 IonicContact NH2-OD2 2.91Å; R172-D414 PolarHBondContact NH2-OD2 2.6Å
173	S	90.7	Very high	90.6	Very high	96 Å²	96	56 Å²	56	67%	0.671	31%	0.31	S	S	*	.			trans	49.2	48.7	170.5	-52.8	0	0	0	0	113.8
174	L	92.3	Very high	90.5	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.312	C	S	.	.			trans	-63.3	-44.7	179.3	179.8	59.4	0	0	0	112.2	N160 V163 R172 V189 K308 V345 K347	N160-L174 WeakPolarHBondContact OD1-CA 3.05Å; N160-L174 WeakPolarHBondContact OD1-CB 3.37Å; N160-L174 PolarHBondContact OD1-N 3.02Å; V163-L174 HydrophobicContact CG1-CD2 4.38Å; V163-L174 HydrophobicContact CG2-CD2 3.84Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.39Å; L174-V189 HydrophobicContact CD2-CG1 3.59Å; L174-K308 HydrophobicContact CD1-CG 4.41Å; L174-K308 VanDerWaalsContact O-CD 3.31Å; L174-K308 WeakPolarHBondContact O-CD 3.47Å; L174-K308 WeakPolarHBondContact O-CE 3.43Å; L174-K308 PolarHBondContact O-NZ 3.41Å; L174-V345 HydrophobicContact CD1-CG1 4.46Å; L174-V345 HydrophobicContact CD1-CG2 3.96Å; L174-V345 HydrophobicContact CD2-CG1 4.05Å; L174-V345 HydrophobicContact CG-CG1 4.25Å; L174-K347 HydrophobicContact CD1-CB 3.18Å; L174-K347 HydrophobicContact CD1-CD 3.79Å; L174-K347 HydrophobicContact CD1-CG 4.08Å
175	L	93.6	Very high	90.5	Very high	7 Å²	7	58 Å²	58	4%	0.037	32%	0.316	C	S	.	.			trans	-120.8	153.4	-175.8	-65.2	170.6	0	0	0	110.9	I159 N160 D179 F180 V189 V345	I159-L175 HydrophobicContact CB-CD1 4.31Å; I159-L175 HydrophobicContact CD1-CD1 4.18Å; I159-L175 HydrophobicContact CG2-CD1 3.66Å; N160-L175 PolarHBondContact ND2-O 3.43Å; N160-L175 PolarHBondContact OD1-N 3.32Å; L175-D179 WeakPolarHBondContact CA-OD2 3.25Å; L175-D179 HydrophobicContact CD2-CB 3.87Å; L175-F180 HydrophobicContact CB-CE2 4.1Å; L175-F180 HydrophobicContact CB-CZ 4.04Å; L175-F180 HydrophobicContact CD1-CE1 4.19Å; L175-F180 HydrophobicContact CD1-CE2 4.38Å; L175-F180 HydrophobicContact CD1-CZ 3.5Å; L175-F180 VanDerWaalsContact CD1-CZ 3.5Å; L175-F180 HydrophobicContact CG-CZ 4.22Å; L175-V189 HydrophobicContact CD1-CG2 4.1Å; L175-V345 HydrophobicContact CD2-CB 4.45Å; L175-V345 HydrophobicContact CD2-CG1 3.98Å
176	S	94.9	Very high	90.6	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	28%	0.283	S	S	.	.			trans	-122.1	167.3	174.5	66.7	0	0	0	0	109.9	E178 D179	S176-E178 PolarHBondContact O-N 2.96Å; S176-E178 VanDerWaalsContact O-N 3.13Å; S176-E178 PolarHBondContact OG-N 3.43Å; S176-D179 PolarHBondContact N-OD2 3.04Å; S176-D179 WeakPolarHBondContact O-CB 3.43Å; S176-D179 PolarHBondContact O-N 3.2Å; S176-D179 PolarHBondContact OG-OD2 3.35Å; S176-D179 VanDerWaalsContact OG-OD2 3.1Å
177	A	93.8	Very high	90.9	Very high	37 Å²	37	48.8 Å²	48.8	31%	0.306	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-57.7	-27.4	175.2	0	0	0	0	0	112.8	S152 S153 D179 F180	S152-A177 WeakPolarHBondContact CB-O 3.43Å; S153-A177 WeakPolarHBondContact OG-CB 3.17Å; A177-D179 VanDerWaalsContact C-N 3.26Å; A177-D179 PolarHBondContact O-N 3.25Å; A177-F180 PolarHBondContact O-N 2.97Å
178	E	93.1	Very high	91.3	Very high	183 Å²	183	48.9 Å²	48.9	86%	0.855	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.8	178.9	-58.1	-178.8	-176.9	0	0	113	S176 F180	S176-E178 PolarHBondContact O-N 2.96Å; S176-E178 VanDerWaalsContact O-N 3.13Å; S176-E178 PolarHBondContact OG-N 3.43Å; E178-F180 PolarHBondContact O-N 2.83Å
179	D	90.8	Very high	91.7	Very high	25 Å²	25	45 Å²	45	13%	0.134	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-74.7	-10.8	176.2	-71.4	-66.3	0	0	0	112.5	L175 S176 A177 K308 K343	L175-D179 WeakPolarHBondContact CA-OD2 3.25Å; L175-D179 HydrophobicContact CD2-CB 3.87Å; S176-D179 PolarHBondContact N-OD2 3.04Å; S176-D179 WeakPolarHBondContact O-CB 3.43Å; S176-D179 PolarHBondContact O-N 3.2Å; S176-D179 PolarHBondContact OG-OD2 3.35Å; S176-D179 VanDerWaalsContact OG-OD2 3.1Å; A177-D179 VanDerWaalsContact C-N 3.26Å; A177-D179 PolarHBondContact O-N 3.25Å; D179-K308 IonicContact OD1-NZ 2.96Å; D179-K308 PolarHBondContact OD1-NZ 3.36Å; D179-K308 IonicContact OD2-NZ 3.16Å; D179-K308 PolarHBondContact OD2-NZ 3.47Å; D179-K343 WeakPolarHBondContact OD1-CE 3.09Å; D179-K343 IonicContact OD1-NZ 3.39Å; D179-K343 PolarHBondContact OD1-NZ 2.72Å
180	F	91.3	Very high	91.9	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.061	24%	0.235	C	C	.	.			trans	-122.2	152.4	-177.1	-51.2	-67.4	0	0	0	112.8	F149 V155 A156 I159 L175 A177 E178 T184 T187	F149-F180 HydrophobicContact CD1-CB 4.49Å; F149-F180 AromaticContact CD1-CD1 3.58Å; F149-F180 HydrophobicContact CD1-CD1 3.58Å; F149-F180 AromaticContact CD1-CE1 3.99Å; F149-F180 HydrophobicContact CD1-CE1 3.99Å; F149-F180 HydrophobicContact CD1-CG 4.12Å; F149-F180 AromaticContact CE1-CD1 3.66Å; F149-F180 HydrophobicContact CE1-CD1 3.66Å; F149-F180 AromaticContact CE1-CE1 3.6Å; F149-F180 HydrophobicContact CE1-CE1 3.6Å; F149-F180 HydrophobicContact CE1-CZ 4.45Å; V155-F180 HydrophobicContact CG1-CE1 4.48Å; V155-F180 HydrophobicContact CG1-CE2 4.23Å; V155-F180 HydrophobicContact CG1-CZ 4.15Å; A156-F180 HydrophobicContact CB-CD2 4.3Å; A156-F180 HydrophobicContact CB-CE2 3.77Å; I159-F180 HydrophobicContact CD1-CE1 4.22Å; I159-F180 HydrophobicContact CD1-CZ 3.75Å; L175-F180 HydrophobicContact CB-CE2 4.1Å; L175-F180 HydrophobicContact CB-CZ 4.04Å; L175-F180 HydrophobicContact CD1-CE1 4.19Å; L175-F180 HydrophobicContact CD1-CE2 4.38Å; L175-F180 HydrophobicContact CD1-CZ 3.5Å; L175-F180 VanDerWaalsContact CD1-CZ 3.5Å; L175-F180 HydrophobicContact CG-CZ 4.22Å; A177-F180 PolarHBondContact O-N 2.97Å; E178-F180 PolarHBondContact O-N 2.83Å; F180-T184 HydrophobicContact CD1-CG2 4.38Å; F180-T187 HydrophobicContact CE1-CG2 4.2Å
181	S	85.3	Confident	92.1	Very high	51 Å²	51	40.1 Å²	40.1	36%	0.357	22%	0.224	S	C	.	.			trans	-136.4	164	173.5	69.8	0	0	0	0	109.8	V183 T184	S181-V183 PolarHBondContact O-N 3.33Å; S181-V183 WeakPolarHBondContact OG-CG2 3.43Å; S181-T184 PolarHBondContact N-OG1 2.74Å; S181-T184 WeakPolarHBondContact O-CB 3.48Å; S181-T184 PolarHBondContact O-N 2.89Å; S181-T184 PolarHBondContact O-OG1 3Å; S181-T184 PolarHBondContact OG-OG1 2.96Å
182	S	80.1	Confident	92.2	Very high	92 Å²	92	40 Å²	40	64%	0.643	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.8	177.7	64.3	0	0	0	0	114.3	R185	S182-R185 PolarHBondContact O-NH1 3.31Å
183	V	86.4	Confident	92.2	Very high	79 Å²	79	34.8 Å²	34.8	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.9	175.5	-60	0	0	0	0	113.1	S181 R185	S181-V183 PolarHBondContact O-N 3.33Å; S181-V183 WeakPolarHBondContact OG-CG2 3.43Å; V183-R185 VanDerWaalsContact C-NH1 3.28Å; V183-R185 VanDerWaalsContact CA-NH1 3.35Å; V183-R185 PolarHBondContact O-N 3.07Å; V183-R185 PolarHBondContact O-NH1 2.98Å
184	T	91.7	Very high	92.1	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.049	17%	0.172	C	C	.	.			trans	-62.8	133.2	173.4	-58.6	0	0	0	0	109.2	F149 F180 S181	F149-T184 HydrophobicContact CD1-CG2 3.89Å; F149-T184 HydrophobicContact CD2-CG2 4.03Å; F149-T184 HydrophobicContact CE1-CG2 4.06Å; F149-T184 HydrophobicContact CE2-CG2 4.18Å; F149-T184 HydrophobicContact CG-CG2 3.89Å; F149-T184 HydrophobicContact CZ-CG2 4.2Å; F180-T184 HydrophobicContact CD1-CG2 4.38Å; S181-T184 PolarHBondContact N-OG1 2.74Å; S181-T184 WeakPolarHBondContact O-CB 3.48Å; S181-T184 PolarHBondContact O-N 2.89Å; S181-T184 PolarHBondContact O-OG1 3Å; S181-T184 PolarHBondContact OG-OG1 2.96Å
185	R	93.9	Very high	91.7	Very high	85 Å²	85	33.6 Å²	33.6	32%	0.321	19%	0.185	S	C	.	.			trans	-124.4	-28.7	179.4	-62.9	-62.7	179	-95.5	-1.3	113.7	L122 Q123 S182 V183 L339	L122-R185 CarbonylContact C-O 3.55Å; L122-R185 WeakPolarHBondContact CA-O 3.49Å; Q123-R185 HydrophobicContact CB-CB 4.47Å; Q123-R185 PolarHBondContact N-O 3.02Å; S182-R185 PolarHBondContact O-NH1 3.31Å; V183-R185 VanDerWaalsContact C-NH1 3.28Å; V183-R185 VanDerWaalsContact CA-NH1 3.35Å; V183-R185 PolarHBondContact O-N 3.07Å; V183-R185 PolarHBondContact O-NH1 2.98Å; R185-L339 HydrophobicContact CB-CD1 3.92Å
186	L	96.2	Very high	91.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.4	-179.7	-175.9	63	0	0	0	109.3	L120 F121 L122 L330 M333 L339 Y340 I341 G342	L120-L186 HydrophobicContact CB-CD1 4.24Å; L120-L186 HydrophobicContact CD2-CD1 4.12Å; L120-L186 HydrophobicContact CD2-CG 4.4Å; F121-L186 CarbonylContact O-C 3.51Å; F121-L186 WeakPolarHBondContact O-CA 3.49Å; L122-L186 HydrophobicContact CB-CD1 4.43Å; L122-L186 HydrophobicContact CD1-CD1 4.2Å; L186-L330 HydrophobicContact CD2-CD1 3.73Å; L186-M333 HydrophobicContact CD1-SD 4.11Å; L186-M333 HydrophobicContact CD2-CE 4.28Å; L186-M333 HydrophobicContact CD2-SD 3.57Å; L186-M333 VanDerWaalsContact CD2-SD 3.57Å; L186-L339 HydrophobicContact CB-CD1 4Å; L186-L339 HydrophobicContact CD2-CD2 4.41Å; L186-L339 HydrophobicContact CD2-CG 4.34Å; L186-Y340 WeakPolarHBondContact CB-O 3.26Å; L186-I341 HydrophobicContact CD2-CG1 3.76Å; L186-I341 HydrophobicContact CG-CG1 4.28Å; L186-G342 PolarHBondContact O-N 3.3Å
187	T	96.5	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.9	174.5	-62	0	0	0	0	109.9	L120 F121 F149 F180 V189 K343	L120-T187 WeakPolarHBondContact CA-O 3.3Å; F121-T187 PolarHBondContact N-O 3.36Å; F121-T187 PolarHBondContact O-N 3.4Å; F149-T187 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T187 WeakPolarHBondContact CZ-OG1 3.5Å; F180-T187 HydrophobicContact CE1-CG2 4.2Å; T187-V189 HydrophobicContact CG2-CG2 3.92Å; T187-K343 CarbonylContact C-O 3.55Å; T187-K343 VanDerWaalsContact CA-O 3.31Å; T187-K343 WeakPolarHBondContact CA-O 3.48Å; T187-K343 HydrophobicContact CG2-CB 3.91Å; T187-K343 HydrophobicContact CG2-CG 4.17Å
188	L	96.6	Very high	91.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.9	170.6	178	63.7	0	0	0	109.6	A64 V68 L120 I341 K343 A344 V345	A64-L188 HydrophobicContact CB-CD1 4.03Å; A64-L188 HydrophobicContact CB-CD2 4.12Å; A64-L188 HydrophobicContact CB-CG 4.37Å; V68-L188 HydrophobicContact CG2-CD1 4.45Å; V68-L188 HydrophobicContact CG2-CD2 4.09Å; L120-L188 HydrophobicContact CD2-CB 4.08Å; L120-L188 HydrophobicContact CD2-CD1 3.65Å; L120-L188 HydrophobicContact CD2-CG 4.46Å; L120-L188 HydrophobicContact CG-CD1 4.2Å; L188-I341 HydrophobicContact CB-CG2 4.41Å; L188-K343 PolarHBondContact N-O 3.43Å; L188-A344 HydrophobicContact CB-CB 4.14Å; L188-A344 HydrophobicContact CD2-CB 4.4Å; L188-A344 WeakPolarHBondContact O-CA 3.43Å; L188-V345 PolarHBondContact O-N 3.49Å
189	V	95.8	Very high	91.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.5	178.4	175.8	0	0	0	0	108.9	N118 S119 F121 I159 V163 L174 L175 T187 V345	N118-V189 WeakPolarHBondContact CA-O 3.42Å; S119-V189 PolarHBondContact N-O 3.31Å; S119-V189 PolarHBondContact O-N 3.38Å; F121-V189 HydrophobicContact CD2-CB 4.22Å; F121-V189 HydrophobicContact CD2-CG2 3.63Å; F121-V189 HydrophobicContact CE2-CB 3.9Å; F121-V189 HydrophobicContact CE2-CG1 4.49Å; F121-V189 HydrophobicContact CE2-CG2 3.64Å; I159-V189 HydrophobicContact CG2-CG1 4.36Å; I159-V189 HydrophobicContact CG2-CG2 3.82Å; V163-V189 HydrophobicContact CG2-CG1 3.7Å; L174-V189 HydrophobicContact CD2-CG1 3.59Å; L175-V189 HydrophobicContact CD1-CG2 4.1Å; T187-V189 HydrophobicContact CG2-CG2 3.92Å; V189-V345 HydrophobicContact CG2-CG1 4.45Å
190	N	94.9	Very high	91.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.9	175.1	-175.4	-90.8	0	0	0	108.5	S60 A64 N118 V345 Q346 K347	S60-N190 VanDerWaalsContact C-ND2 3.33Å; S60-N190 PolarHBondContact O-ND2 3.13Å; S60-N190 VanDerWaalsContact OG-CG 3.3Å; S60-N190 PolarHBondContact OG-ND2 3.47Å; S60-N190 PolarHBondContact OG-OD1 3.17Å; S60-N190 VanDerWaalsContact OG-OD1 3.07Å; A64-N190 HydrophobicContact CB-CB 4.33Å; N118-N190 PolarHBondContact OD1-ND2 2.95Å; N190-V345 WeakPolarHBondContact CB-O 3.47Å; N190-V345 PolarHBondContact N-O 2.98Å; N190-Q346 HydrophobicContact CB-CB 4.25Å; N190-Q346 CarbonylContact O-C 3.56Å; N190-Q346 WeakPolarHBondContact O-CA 3.41Å; N190-Q346 VanDerWaalsContact OD1-CG 3.25Å; N190-Q346 WeakPolarHBondContact OD1-CG 3.39Å; N190-Q346 PolarHBondContact OD1-NE2 3.09Å; N190-K347 PolarHBondContact O-N 3.35Å
191	A	94.3	Very high	91.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.4	171.2	0	0	0	0	0	110.2	A117 V163 T167 I171 K347	A117-A191 HydrophobicContact CB-CB 4.15Å; A117-A191 PolarHBondContact N-O 3.39Å; A117-A191 PolarHBondContact O-N 3.27Å; V163-A191 HydrophobicContact CG1-CB 3.71Å; T167-A191 HydrophobicContact CG2-CB 4.33Å; I171-A191 HydrophobicContact CD1-CB 3.81Å; I171-A191 HydrophobicContact CG2-CB 4.25Å; A191-K347 VanDerWaalsContact CA-O 3.3Å; A191-K347 WeakPolarHBondContact CA-O 3.27Å
192	V	93.4	Very high	91.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	124.6	-172.1	60.5	0	0	0	0	110.6	S57 R115 F116 I171 K347 A348 Y349 F398	S57-V192 VanDerWaalsContact CB-CG1 3.48Å; R115-V192 WeakPolarHBondContact O-CA 3.17Å; F116-V192 HydrophobicContact CD1-CB 4.34Å; F116-V192 HydrophobicContact CD1-CG2 3.8Å; F116-V192 HydrophobicContact CE1-CG2 3.72Å; I171-V192 WeakPolarHBondContact CD1-O 3.3Å; V192-K347 PolarHBondContact N-O 3.25Å; V192-A348 HydrophobicContact CG1-CB 4Å; V192-Y349 PolarHBondContact O-N 3.27Å; V192-F398 HydrophobicContact CB-CZ 4.31Å; V192-F398 HydrophobicContact CG1-CE1 3.77Å; V192-F398 HydrophobicContact CG1-CZ 3.88Å; V192-F398 HydrophobicContact CG2-CE1 4.4Å; V192-F398 HydrophobicContact CG2-CE2 4.26Å; V192-F398 HydrophobicContact CG2-CZ 3.7Å
193	Y	90.4	Very high	92.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.5	178.7	161.5	-118.8	0	0	0	109.1	V113 R115 E168 K170 R195 Y349	V113-Y193 HydrophobicContact CG1-CD1 4.34Å; V113-Y193 HydrophobicContact CG1-CE1 3.9Å; R115-Y193 HydrophobicContact CB-CD1 4.2Å; R115-Y193 HydrophobicContact CG-CD1 3.96Å; R115-Y193 PolarHBondContact N-O 3.11Å; R115-Y193 PolarHBondContact O-N 3.03Å; E168-Y193 HydrophobicContact CB-CE1 4.49Å; K170-Y193 HydrophobicContact CB-CD2 3.96Å; K170-Y193 HydrophobicContact CB-CE2 4.16Å; K170-Y193 HydrophobicContact CB-CG 4.15Å; K170-Y193 HydrophobicContact CD-CE2 4.3Å; K170-Y193 HydrophobicContact CG-CD1 4.36Å; K170-Y193 HydrophobicContact CG-CD2 4.03Å; K170-Y193 HydrophobicContact CG-CE1 4.05Å; K170-Y193 HydrophobicContact CG-CE2 3.72Å; K170-Y193 HydrophobicContact CG-CG 4.33Å; Y193-R195 HydrophobicContact CE1-CB 4.49Å; Y193-R195 HydrophobicContact CE2-CB 4.03Å; Y193-R195 VanDerWaalsContact OH-CB 3.31Å; Y193-R195 WeakPolarHBondContact OH-CB 3.31Å; Y193-R195 WeakPolarHBondContact OH-CD 3.41Å; Y193-R195 PolarHBondContact OH-NE 2.98Å; Y193-Y349 AromaticContact CD2-CD1 3.65Å; Y193-Y349 HydrophobicContact CD2-CD1 3.65Å; Y193-Y349 HydrophobicContact CD2-CE1 4.16Å; Y193-Y349 HydrophobicContact CE2-CD1 4.03Å; Y193-Y349 HydrophobicContact CE2-CE1 4.07Å
194	F	87.9	Confident	92.5	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.5	171.1	170.2	-91.7	0	0	0	111.3	Y112 V113 I114 Y254 Y349 L350 I388 L397 F398	Y112-F194 HydrophobicContact CD2-CE2 4.37Å; Y112-F194 HydrophobicContact CG-CE2 4.26Å; V113-F194 WeakPolarHBondContact O-CA 3.47Å; I114-F194 HydrophobicContact CD1-CD2 4.15Å; I114-F194 HydrophobicContact CD1-CE2 4.4Å; I114-F194 HydrophobicContact CG1-CD2 3.54Å; I114-F194 HydrophobicContact CG1-CE2 4.16Å; F194-Y254 HydrophobicContact CE1-CD2 4.49Å; F194-Y254 AromaticContact CE1-CE1 3.9Å; F194-Y254 HydrophobicContact CE1-CE1 3.9Å; F194-Y254 AromaticContact CE1-CE2 3.79Å; F194-Y254 HydrophobicContact CE1-CE2 3.79Å; F194-Y254 AromaticContact CE1-CZ 3.45Å; F194-Y254 VanDerWaalsContact CE1-CZ 3.45Å; F194-Y254 WeakPolarHBondContact CE1-OH 3.3Å; F194-Y254 HydrophobicContact CZ-CD1 4.24Å; F194-Y254 AromaticContact CZ-CD2 3.87Å; F194-Y254 HydrophobicContact CZ-CD2 3.87Å; F194-Y254 AromaticContact CZ-CE1 3.98Å; F194-Y254 HydrophobicContact CZ-CE1 3.98Å; F194-Y254 AromaticContact CZ-CE2 3.59Å; F194-Y254 HydrophobicContact CZ-CE2 3.59Å; F194-Y254 HydrophobicContact CZ-CG 4.19Å; F194-Y254 AromaticContact CZ-CZ 3.66Å; F194-Y349 PolarHBondContact N-O 3.44Å; F194-L350 HydrophobicContact CD1-CD1 3.77Å; F194-L350 HydrophobicContact CE1-CD1 4.46Å; F194-I388 HydrophobicContact CD1-CD1 3.86Å; F194-I388 HydrophobicContact CE1-CD1 3.94Å; F194-I388 HydrophobicContact CE1-CG2 4.39Å; F194-I388 HydrophobicContact CZ-CG2 4.3Å; F194-L397 HydrophobicContact CB-CD2 4.27Å; F194-L397 HydrophobicContact CD2-CD2 3.67Å; F194-L397 HydrophobicContact CE2-CD2 4.25Å; F194-L397 HydrophobicContact CG-CD2 4.12Å; F194-F398 HydrophobicContact CB-CD2 4.17Å; F194-F398 HydrophobicContact CB-CE2 3.36Å; F194-F398 HydrophobicContact CB-CZ 4.09Å; F194-F398 HydrophobicContact CG-CE2 4.23Å
195	R	84.9	Confident	92.6	Very high	71 Å²	71	27.8 Å²	27.8	27%	0.268	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	117.4	165.9	177.5	-179.8	63.9	166.4	-4.5	108.2	Y112 V113 Y193	Y112-R195 CarbonylContact C-O 3.59Å; Y112-R195 WeakPolarHBondContact CA-O 3.33Å; V113-R195 PolarHBondContact N-O 2.96Å; V113-R195 PolarHBondContact O-N 3.47Å; Y193-R195 HydrophobicContact CE1-CB 4.49Å; Y193-R195 HydrophobicContact CE2-CB 4.03Å; Y193-R195 VanDerWaalsContact OH-CB 3.31Å; Y193-R195 WeakPolarHBondContact OH-CB 3.31Å; Y193-R195 WeakPolarHBondContact OH-CD 3.41Å; Y193-R195 PolarHBondContact OH-NE 2.98Å
196	G	85.3	Confident	92.7	Very high	12 Å²	12	26.3 Å²	26.3	12%	0.124	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.8	177.4	0	0	0	0	0	111.6
197	S	90	Very high	92.6	Very high	28 Å²	28	27.6 Å²	27.6	20%	0.196	14%	0.139	C	C	.	.			trans	-80	127	167.7	-73.4	0	0	0	0	109.6	H111 Y254 E255	H111-S197 WeakPolarHBondContact O-CB 3.38Å; H111-S197 PolarHBondContact O-N 2.8Å; S197-Y254 CarbonylContact O-C 3.45Å; S197-Y254 WeakPolarHBondContact O-CA 3.39Å; S197-Y254 WeakPolarHBondContact O-CB 3.42Å; S197-Y254 WeakPolarHBondContact O-CD1 3.4Å; S197-E255 PolarHBondContact O-N 3.14Å
198	W	94.3	Very high	92.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.015	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-60.1	143.7	173.5	-63.3	114.7	0	0	0	111.5	N200 F202 M252 Y254 M261 L300 V352 T353 E355 G356 S357	W198-N200 VanDerWaalsContact C-N 3.26Å; W198-N200 WeakPolarHBondContact CB-O 3.23Å; W198-N200 PolarHBondContact O-N 3.24Å; W198-F202 AromaticContact CD1-CD2 3.81Å; W198-F202 HydrophobicContact CG-CD2 4.48Å; W198-F202 HydrophobicContact CG-CE2 4.46Å; W198-F202 AromaticContact NE1-CD2 3.88Å; W198-F202 AromaticContact NE1-CE2 3.79Å; W198-M252 HydrophobicContact CD2-CE 4.43Å; W198-M252 HydrophobicContact CE3-CB 4.2Å; W198-M252 HydrophobicContact CE3-CE 4.26Å; W198-M252 HydrophobicContact CZ3-CB 3.76Å; W198-M252 HydrophobicContact CZ3-CE 4.4Å; W198-Y254 HydrophobicContact CD2-CD1 4.32Å; W198-Y254 HydrophobicContact CD2-CE1 4.04Å; W198-Y254 AromaticContact CE3-CD1 3.82Å; W198-Y254 HydrophobicContact CE3-CD1 3.82Å; W198-Y254 AromaticContact CE3-CE1 3.65Å; W198-Y254 HydrophobicContact CE3-CE1 3.65Å; W198-Y254 HydrophobicContact CE3-CG 4.46Å; W198-Y254 AromaticContact CH2-CE1 3.82Å; W198-Y254 HydrophobicContact CH2-CE1 3.82Å; W198-Y254 AromaticContact CH2-CZ 3.68Å; W198-Y254 WeakPolarHBondContact CH2-OH 3.32Å; W198-Y254 HydrophobicContact CZ2-CE1 4.19Å; W198-Y254 HydrophobicContact CZ3-CD1 4.04Å; W198-Y254 AromaticContact CZ3-CE1 3.52Å; W198-Y254 HydrophobicContact CZ3-CE1 3.52Å; W198-Y254 HydrophobicContact CZ3-CE2 4.09Å; W198-Y254 AromaticContact CZ3-CZ 3.54Å; W198-M261 HydrophobicContact CH2-CB 3.79Å; W198-M261 HydrophobicContact CH2-CE 4.28Å; W198-M261 HydrophobicContact CH2-CG 4.44Å; W198-M261 HydrophobicContact CH2-SD 3.86Å; W198-M261 HydrophobicContact CZ3-CB 3.95Å; W198-L300 HydrophobicContact CZ2-CD2 4.26Å; W198-V352 HydrophobicContact CZ2-CG1 3.93Å; W198-T353 PolarHBondContact NE1-O 3.11Å; W198-E355 PolarHBondContact N-O 3.4Å; W198-G356 VanDerWaalsContact N-CA 3.34Å; W198-G356 CarbonylContact O-C 3.49Å; W198-G356 WeakPolarHBondContact O-CA 3.11Å; W198-S357 PolarHBondContact O-N 3.25Å
199	K	93.3	Very high	92.5	Very high	38 Å²	38	39.9 Å²	39.9	17%	0.165	20%	0.196	C	C	.	.	S	Bend	trans	-60.3	-41	169.9	177.8	-176.2	177.8	176.2	0	111.7	P253 E257	K199-P253 HydrophobicContact CB-CB 4.24Å; K199-P253 WeakPolarHBondContact CB-O 3.38Å; K199-P253 HydrophobicContact CD-CB 4.25Å; K199-P253 PolarHBondContact N-O 2.87Å; K199-E257 HydrophobicContact CD-CG 3.74Å; K199-E257 WeakPolarHBondContact CE-OE1 3.42Å; K199-E257 IonicContact NZ-OE1 3.2Å; K199-E257 PolarHBondContact NZ-OE1 2.68Å; K199-E257 IonicContact NZ-OE2 3.82Å; K199-E257 PolarHBondContact NZ-OE2 3Å
200	N	91.7	Very high	92.5	Very high	20 Å²	20	43 Å²	43	11%	0.107	21%	0.21	C	C	.	.	S	Bend	trans	-115.6	104.1	174	-53.5	-51.4	0	0	0	107.2	W198 Q227 F231 G359	W198-N200 VanDerWaalsContact C-N 3.26Å; W198-N200 WeakPolarHBondContact CB-O 3.23Å; W198-N200 PolarHBondContact O-N 3.24Å; N200-Q227 PolarHBondContact O-NE2 3.2Å; N200-Q227 PolarHBondContact O-OE1 3.39Å; N200-F231 HydrophobicContact CB-CZ 4.41Å; N200-G359 PolarHBondContact OD1-O 3.04Å
201	Q	92.9	Very high	92.5	Very high	49 Å²	49	44.9 Å²	44.9	23%	0.229	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-63	149	-179.4	74.8	-177.1	39.1	0	0	112.4	G356 S357	Q201-G356 PolarHBondContact OE1-O 2.89Å; Q201-G356 VanDerWaalsContact OE1-O 3.13Å; Q201-S357 WeakPolarHBondContact CB-O 3.41Å; Q201-S357 PolarHBondContact N-O 3.23Å
202	F	94.3	Very high	92.6	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-76.9	148.3	162.3	-65.8	-97.7	0	0	0	108.7	W198 P204 M225 Q227 M252 V298 L300 E354	W198-F202 AromaticContact CD1-CD2 3.81Å; W198-F202 HydrophobicContact CG-CD2 4.48Å; W198-F202 HydrophobicContact CG-CE2 4.46Å; W198-F202 AromaticContact NE1-CD2 3.88Å; W198-F202 AromaticContact NE1-CE2 3.79Å; F202-P204 WeakPolarHBondContact O-CD 3.47Å; F202-M225 HydrophobicContact CB-CB 4.18Å; F202-M225 HydrophobicContact CD1-CB 3.5Å; F202-M225 HydrophobicContact CD2-CB 4.49Å; F202-M225 HydrophobicContact CD2-CE 4.03Å; F202-M225 HydrophobicContact CD2-SD 4.3Å; F202-M225 HydrophobicContact CE1-CB 3.88Å; F202-M225 HydrophobicContact CE2-CE 3.89Å; F202-M225 HydrophobicContact CG-CB 3.83Å; F202-M225 HydrophobicContact CG-CE 4.45Å; F202-M225 HydrophobicContact CG-SD 4.36Å; F202-M225 HydrophobicContact CZ-CE 4.18Å; F202-Q227 HydrophobicContact CD1-CB 3.87Å; F202-Q227 HydrophobicContact CD1-CG 3.63Å; F202-Q227 HydrophobicContact CE1-CB 4.26Å; F202-Q227 HydrophobicContact CE1-CG 3.59Å; F202-Q227 HydrophobicContact CG-CG 4.28Å; F202-Q227 HydrophobicContact CZ-CG 4.18Å; F202-M252 HydrophobicContact CE2-CE 3.65Å; F202-M252 HydrophobicContact CZ-CE 3.6Å; F202-M252 HydrophobicContact CZ-SD 4.44Å; F202-V298 HydrophobicContact CE1-CG1 4.33Å; F202-V298 HydrophobicContact CZ-CG1 4.18Å; F202-L300 HydrophobicContact CE1-CB 4.4Å; F202-L300 HydrophobicContact CE2-CD2 4.45Å; F202-L300 HydrophobicContact CZ-CB 3.99Å; F202-L300 HydrophobicContact CZ-CD2 4.19Å; F202-E354 HydrophobicContact CB-CB 3.8Å; F202-E354 HydrophobicContact CB-CG 3.63Å; F202-E354 PolarHBondContact N-O 3.49Å; F202-E354 VanDerWaalsContact N-O 3.17Å
203	R	92.8	Very high	92.7	Very high	68 Å²	68	46.4 Å²	46.4	26%	0.257	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-90.5	119.2	174.6	-73.1	-172.9	-179.5	-162.6	6.1	109	E205 N206 V361 S363	R203-E205 HydrophobicContact CB-CG 4.18Å; R203-E205 WeakPolarHBondContact CD-OE1 3.12Å; R203-E205 IonicContact NH1-OE1 3.68Å; R203-E205 PolarHBondContact O-N 3.24Å; R203-E205 VanDerWaalsContact O-N 3.1Å; R203-N206 HydrophobicContact CB-CB 4.45Å; R203-N206 WeakPolarHBondContact O-CB 3.36Å; R203-N206 PolarHBondContact O-N 2.74Å; R203-V361 PolarHBondContact NH2-O 2.98Å; R203-S363 PolarHBondContact NH1-OG 3.37Å; R203-S363 PolarHBondContact NH2-OG 2.59Å
204	P	92.2	Very high	92.9	Very high	77 Å²	77	50.1 Å²	50.1	50%	0.5	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55.2	-30.8	-178.4	-27.6	35.7	0	0	0	113.8	F202 N206 T207 E354	F202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-N206 PolarHBondContact O-N 3.1Å; P204-T207 WeakPolarHBondContact O-CB 3.34Å; P204-T207 PolarHBondContact O-N 3.11Å; P204-T207 VanDerWaalsContact O-N 3.11Å; P204-E354 HydrophobicContact CG-CB 4.25Å; P204-E354 HydrophobicContact CG-CG 4.39Å
205	E	93.5	Very high	92.9	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17	175.4	63.4	-94.3	-149.2	0	0	114.6	R203	R203-E205 HydrophobicContact CB-CG 4.18Å; R203-E205 WeakPolarHBondContact CD-OE1 3.12Å; R203-E205 IonicContact NH1-OE1 3.68Å; R203-E205 PolarHBondContact O-N 3.24Å; R203-E205 VanDerWaalsContact O-N 3.1Å
206	N	94.9	Very high	93.1	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.294	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-92	-11.2	175.3	-69.2	-19.2	0	0	0	112.7	R203 P204 Y226	R203-N206 HydrophobicContact CB-CB 4.45Å; R203-N206 WeakPolarHBondContact O-CB 3.36Å; R203-N206 PolarHBondContact O-N 2.74Å; P204-N206 PolarHBondContact O-N 3.1Å; N206-Y226 HydrophobicContact CB-CD1 4.1Å
207	T	95.4	Very high	93.3	Very high	26 Å²	26	57.1 Å²	57.1	16%	0.16	30%	0.303	C	S	.	.			trans	-72.8	128	178.2	-59.9	0	0	0	0	110.2	P204 L223 M224 M225 E354	P204-T207 WeakPolarHBondContact O-CB 3.34Å; P204-T207 PolarHBondContact O-N 3.11Å; P204-T207 VanDerWaalsContact O-N 3.11Å; T207-L223 HydrophobicContact CG2-CB 3.9Å; T207-M224 VanDerWaalsContact CA-O 3.3Å; T207-M224 WeakPolarHBondContact CA-O 3.41Å; T207-M225 HydrophobicContact CG2-CG 4.32Å; T207-E354 WeakPolarHBondContact CB-OE1 3.43Å; T207-E354 WeakPolarHBondContact CG2-OE1 3.42Å; T207-E354 PolarHBondContact OG1-OE1 3.41Å
208	R	94.9	Very high	93.4	Very high	168 Å²	168	57.6 Å²	57.6	63%	0.634	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.6	-176.2	-64.3	-177.1	-176.2	-174.3	2.7	111.3	F210 M224	R208-F210 HydrophobicContact CB-CD2 4.26Å; R208-F210 HydrophobicContact CB-CE2 4.03Å; R208-F210 PolarHBondContact O-N 2.85Å; R208-M224 PolarHBondContact N-O 2.73Å; R208-M224 WeakPolarHBondContact O-CB 3.46Å; R208-M224 PolarHBondContact O-N 3.34Å
209	T	95.3	Very high	93.4	Very high	92 Å²	92	63.1 Å²	63.1	56%	0.564	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.4	172.9	-52.1	0	0	0	0	110.9	Q221 T222	T209-Q221 HydrophobicContact CG2-CB 3.96Å; T209-Q221 HydrophobicContact CG2-CG 4.34Å; T209-T222 VanDerWaalsContact CA-O 3.32Å; T209-T222 WeakPolarHBondContact CA-O 3.41Å
210	F	95.3	Very high	93.5	Very high	66 Å²	66	62.9 Å²	62.9	29%	0.289	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.4	173.8	-84.9	-121.8	0	0	0	109.9	R208 Q221 T222 M224 Y299 M379	R208-F210 HydrophobicContact CB-CD2 4.26Å; R208-F210 HydrophobicContact CB-CE2 4.03Å; R208-F210 PolarHBondContact O-N 2.85Å; F210-Q221 WeakPolarHBondContact O-CA 3.43Å; F210-Q221 PolarHBondContact O-OE1 2.86Å; F210-T222 PolarHBondContact N-O 3.4Å; F210-T222 PolarHBondContact O-N 3.28Å; F210-M224 HydrophobicContact CB-CB 3.78Å; F210-M224 HydrophobicContact CB-CE 4.28Å; F210-M224 HydrophobicContact CB-CG 4.38Å; F210-M224 HydrophobicContact CD1-CB 4.48Å; F210-M224 HydrophobicContact CD1-CG 4.34Å; F210-M224 HydrophobicContact CD2-CB 3.55Å; F210-M224 HydrophobicContact CD2-CG 4.1Å; F210-M224 HydrophobicContact CE2-CB 4.27Å; F210-M224 HydrophobicContact CE2-CG 4.49Å; F210-M224 HydrophobicContact CG-CB 3.69Å; F210-M224 HydrophobicContact CG-CG 4.03Å; F210-Y299 HydrophobicContact CE1-CD1 4.3Å; F210-Y299 HydrophobicContact CE1-CE1 4.48Å; F210-Y299 HydrophobicContact CZ-CD1 4.17Å; F210-Y299 HydrophobicContact CZ-CE1 4.14Å; F210-M379 HydrophobicContact CE1-SD 4.41Å
211	S	95.5	Very high	93.6	Very high	39 Å²	39	67 Å²	67	27%	0.273	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.7	164	-73.5	0	0	0	0	110.1	E219 V220 Q221	S211-E219 VanDerWaalsContact CB-OE2 3.22Å; S211-E219 WeakPolarHBondContact CB-OE2 3.46Å; S211-E219 PolarHBondContact OG-OE2 2.98Å; S211-V220 CarbonylContact C-O 3.53Å; S211-V220 WeakPolarHBondContact CA-O 3.48Å; S211-Q221 PolarHBondContact OG-NE2 3.17Å
212	F	96.4	Very high	93.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.9	167.6	-175.9	-78.9	0	0	0	108.2	R214 E219 V220 T222 P301 D381 H382 P383 F384 M403 P405	F212-R214 HydrophobicContact CD1-CG 4.38Å; F212-E219 WeakPolarHBondContact O-CA 3.44Å; F212-V220 HydrophobicContact CB-CG2 3.98Å; F212-V220 HydrophobicContact CD1-CG2 4.37Å; F212-V220 PolarHBondContact N-O 3.22Å; F212-V220 PolarHBondContact O-N 2.71Å; F212-T222 HydrophobicContact CB-CG2 4.09Å; F212-P301 HydrophobicContact CD2-CG 4.23Å; F212-P301 HydrophobicContact CE2-CG 4.39Å; F212-D381 CarbonylContact C-O 3.44Å; F212-D381 VanDerWaalsContact CA-O 3.23Å; F212-D381 WeakPolarHBondContact CA-O 3.33Å; F212-D381 VanDerWaalsContact CD2-C 3.47Å; F212-H382 WeakPolarHBondContact CE2-O 3.44Å; F212-H382 WeakPolarHBondContact CZ-O 3.43Å; F212-P383 HydrophobicContact CE1-CG 4.17Å; F212-P383 HydrophobicContact CZ-CG 4.37Å; F212-F384 HydrophobicContact CE2-CD1 4.44Å; F212-F384 HydrophobicContact CE2-CE1 4.27Å; F212-M403 WeakPolarHBondContact CE1-O 3.09Å; F212-P405 HydrophobicContact CB-CG 4.31Å; F212-P405 HydrophobicContact CD1-CG 4.42Å; F212-P405 HydrophobicContact CD2-CG 3.83Å; F212-P405 HydrophobicContact CE2-CG 4.2Å; F212-P405 HydrophobicContact CG-CG 3.93Å
213	S	96.3	Very high	93.7	Very high	33 Å²	33	66.4 Å²	66.4	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.3	-177.6	-61.9	0	0	0	0	110.2	D381 H382 P383	S213-D381 PolarHBondContact N-O 2.97Å; S213-H382 VanDerWaalsContact O-CA 3.29Å; S213-H382 WeakPolarHBondContact O-CA 3.48Å; S213-H382 VanDerWaalsContact O-CB 3.27Å; S213-H382 WeakPolarHBondContact O-CB 3.47Å; S213-P383 WeakPolarHBondContact O-CD 3.36Å
214	R	93.3	Very high	93.9	Very high	78 Å²	78	63.2 Å²	63.2	29%	0.294	34%	0.339	S	S	.	.			trans	-78.6	160.6	176.9	-68.2	161.8	165	174.7	-1.9	111.3	F212 D216 G217 S218 V220 T404	F212-R214 HydrophobicContact CD1-CG 4.38Å; R214-D216 VanDerWaalsContact CB-OD1 3.29Å; R214-D216 WeakPolarHBondContact CB-OD1 3.2Å; R214-D216 PolarHBondContact O-N 2.6Å; R214-D216 VanDerWaalsContact O-N 3.13Å; R214-G217 WeakPolarHBondContact O-CA 3.22Å; R214-G217 PolarHBondContact O-N 3.39Å; R214-S218 WeakPolarHBondContact CB-O 3.46Å; R214-S218 WeakPolarHBondContact CD-OG 3.43Å; R214-S218 PolarHBondContact N-O 2.84Å; R214-S218 PolarHBondContact NH1-OG 2.89Å; R214-V220 VanDerWaalsContact NH2-CG1 3.35Å; R214-T404 PolarHBondContact NE-OG1 2.86Å; R214-T404 VanDerWaalsContact NH2-CG2 3.25Å; R214-T404 PolarHBondContact NH2-OG1 3.29Å
215	D	89.1	Confident	94.2	Very high	45 Å²	45	59.5 Å²	59.5	24%	0.241	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.4	176.6	-80.7	5.2	0	0	0	113.4	G217 P271 L272 P383 M403	D215-G217 VanDerWaalsContact C-N 3.26Å; D215-P271 HydrophobicContact CB-CB 4.5Å; D215-L272 PolarHBondContact OD2-N 2.81Å; D215-L272 VanDerWaalsContact OD2-N 3.15Å; D215-P383 HydrophobicContact CB-CG 4.48Å; D215-P383 WeakPolarHBondContact OD1-CG 3.4Å; D215-M403 HydrophobicContact CB-CE 4.24Å; D215-M403 WeakPolarHBondContact OD2-CE 3.29Å
216	D	88.6	Confident	94.3	Very high	120 Å²	120	56.3 Å²	56.3	64%	0.642	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.7	173.8	72	-1.6	0	0	0	113.9	R214 S218	R214-D216 VanDerWaalsContact CB-OD1 3.29Å; R214-D216 WeakPolarHBondContact CB-OD1 3.2Å; R214-D216 PolarHBondContact O-N 2.6Å; R214-D216 VanDerWaalsContact O-N 3.13Å; D216-S218 VanDerWaalsContact C-N 3.3Å; D216-S218 VanDerWaalsContact OD1-CB 3.25Å; D216-S218 WeakPolarHBondContact OD1-CB 3.37Å; D216-S218 PolarHBondContact OD1-N 3.15Å; D216-S218 PolarHBondContact OD1-OG 3.02Å; D216-S218 PolarHBondContact OD2-OG 3.43Å
217	G	89.4	Confident	94.3	Very high	66 Å²	66	54.1 Å²	54.1	68%	0.68	29%	0.286	S	S	*	.	S	Bend	trans	81.1	0.2	-177.7	0	0	0	0	0	114.7	R214 D215	R214-G217 WeakPolarHBondContact O-CA 3.22Å; R214-G217 PolarHBondContact O-N 3.39Å; D215-G217 VanDerWaalsContact C-N 3.26Å
218	S	92.8	Very high	94.3	Very high	39 Å²	39	56.1 Å²	56.1	27%	0.273	29%	0.294	S	S	.	.			trans	-80.7	150	173	70.4	0	0	0	0	111.7	R214 D216	R214-S218 WeakPolarHBondContact CB-O 3.46Å; R214-S218 WeakPolarHBondContact CD-OG 3.43Å; R214-S218 PolarHBondContact N-O 2.84Å; R214-S218 PolarHBondContact NH1-OG 2.89Å; D216-S218 VanDerWaalsContact C-N 3.3Å; D216-S218 VanDerWaalsContact OD1-CB 3.25Å; D216-S218 WeakPolarHBondContact OD1-CB 3.37Å; D216-S218 PolarHBondContact OD1-N 3.15Å; D216-S218 PolarHBondContact OD1-OG 3.02Å; D216-S218 PolarHBondContact OD2-OG 3.43Å
219	E	94.2	Very high	94.1	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.9	177.2	-70.1	-176.2	-160.3	0	0	111.4	S211 F212	S211-E219 VanDerWaalsContact CB-OE2 3.22Å; S211-E219 WeakPolarHBondContact CB-OE2 3.46Å; S211-E219 PolarHBondContact OG-OE2 2.98Å; F212-E219 WeakPolarHBondContact O-CA 3.44Å
220	V	94.1	Very high	94	Very high	34 Å²	34	47.6 Å²	47.6	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.1	167	-64	0	0	0	0	110.9	S211 F212 R214 T404	S211-V220 CarbonylContact C-O 3.53Å; S211-V220 WeakPolarHBondContact CA-O 3.48Å; F212-V220 HydrophobicContact CB-CG2 3.98Å; F212-V220 HydrophobicContact CD1-CG2 4.37Å; F212-V220 PolarHBondContact N-O 3.22Å; F212-V220 PolarHBondContact O-N 2.71Å; R214-V220 VanDerWaalsContact NH2-CG1 3.35Å; V220-T404 HydrophobicContact CG2-CG2 4.22Å
221	Q	94.5	Very high	94.1	Very high	105 Å²	105	44.6 Å²	44.6	49%	0.491	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.4	174.8	-62.8	-59.3	-43.4	0	0	110	T209 F210 S211	T209-Q221 HydrophobicContact CG2-CB 3.96Å; T209-Q221 HydrophobicContact CG2-CG 4.34Å; F210-Q221 WeakPolarHBondContact O-CA 3.43Å; F210-Q221 PolarHBondContact O-OE1 2.86Å; S211-Q221 PolarHBondContact OG-NE2 3.17Å
222	T	94.3	Very high	94.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.8	175.7	-169.5	0	0	0	0	111.5	T209 F210 F212 M224 P301 P405	T209-T222 VanDerWaalsContact CA-O 3.32Å; T209-T222 WeakPolarHBondContact CA-O 3.41Å; F210-T222 PolarHBondContact N-O 3.4Å; F210-T222 PolarHBondContact O-N 3.28Å; F212-T222 HydrophobicContact CB-CG2 4.09Å; T222-M224 HydrophobicContact CG2-CE 4.32Å; T222-M224 PolarHBondContact O-N 3.03Å; T222-P301 HydrophobicContact CG2-CB 4.2Å; T222-P301 HydrophobicContact CG2-CG 4.3Å; T222-P405 HydrophobicContact CG2-CG 4.18Å
223	L	95.6	Very high	94.3	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.188	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106	170.7	-67.5	178.1	0	0	0	108.6	T207 P301 R302	T207-L223 HydrophobicContact CG2-CB 3.9Å; L223-P301 CarbonylContact O-C 3.56Å; L223-P301 WeakPolarHBondContact O-CA 3.25Å; L223-R302 HydrophobicContact CB-CB 4.25Å; L223-R302 PolarHBondContact O-N 3.44Å
224	M	97	Very high	94.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.6	179.3	-171.9	65.7	71	0	0	109.9	T207 R208 F210 T222 Y299 L300 P301 D381	T207-M224 VanDerWaalsContact CA-O 3.3Å; T207-M224 WeakPolarHBondContact CA-O 3.41Å; R208-M224 PolarHBondContact N-O 2.73Å; R208-M224 WeakPolarHBondContact O-CB 3.46Å; R208-M224 PolarHBondContact O-N 3.34Å; F210-M224 HydrophobicContact CB-CB 3.78Å; F210-M224 HydrophobicContact CB-CE 4.28Å; F210-M224 HydrophobicContact CB-CG 4.38Å; F210-M224 HydrophobicContact CD1-CB 4.48Å; F210-M224 HydrophobicContact CD1-CG 4.34Å; F210-M224 HydrophobicContact CD2-CB 3.55Å; F210-M224 HydrophobicContact CD2-CG 4.1Å; F210-M224 HydrophobicContact CE2-CB 4.27Å; F210-M224 HydrophobicContact CE2-CG 4.49Å; F210-M224 HydrophobicContact CG-CB 3.69Å; F210-M224 HydrophobicContact CG-CG 4.03Å; T222-M224 HydrophobicContact CG2-CE 4.32Å; T222-M224 PolarHBondContact O-N 3.03Å; M224-Y299 HydrophobicContact CG-CD1 4.2Å; M224-L300 PolarHBondContact SD-N 3.4Å; M224-P301 HydrophobicContact CE-CG 3.87Å; M224-P301 HydrophobicContact SD-CG 4.09Å; M224-P301 VanDerWaalsContact SD-N 3.43Å; M224-D381 HydrophobicContact CE-CB 4.08Å
225	M	97.4	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.1	172.6	-49	-177.1	-62.8	0	0	109.1	F202 T207 Y299 L300 R302 V352 E354	F202-M225 HydrophobicContact CB-CB 4.18Å; F202-M225 HydrophobicContact CD1-CB 3.5Å; F202-M225 HydrophobicContact CD2-CB 4.49Å; F202-M225 HydrophobicContact CD2-CE 4.03Å; F202-M225 HydrophobicContact CD2-SD 4.3Å; F202-M225 HydrophobicContact CE1-CB 3.88Å; F202-M225 HydrophobicContact CE2-CE 3.89Å; F202-M225 HydrophobicContact CG-CB 3.83Å; F202-M225 HydrophobicContact CG-CE 4.45Å; F202-M225 HydrophobicContact CG-SD 4.36Å; F202-M225 HydrophobicContact CZ-CE 4.18Å; T207-M225 HydrophobicContact CG2-CG 4.32Å; M225-Y299 WeakPolarHBondContact O-CA 3.17Å; M225-L300 WeakPolarHBondContact CA-O 3.5Å; M225-L300 VanDerWaalsContact CB-O 3.29Å; M225-L300 WeakPolarHBondContact CB-O 3.33Å; M225-L300 HydrophobicContact CE-CB 4.18Å; M225-L300 HydrophobicContact CE-CD2 4.04Å; M225-L300 HydrophobicContact CE-CG 4.12Å; M225-L300 PolarHBondContact N-O 3.22Å; M225-L300 PolarHBondContact O-N 3.23Å; M225-R302 HydrophobicContact CG-CB 4.04Å; M225-R302 HydrophobicContact SD-CB 4.09Å; M225-V352 HydrophobicContact CE-CG1 3.87Å; M225-E354 HydrophobicContact CB-CG 4.43Å; M225-E354 HydrophobicContact CG-CG 3.95Å; M225-E354 HydrophobicContact SD-CB 4.28Å; M225-E354 VanDerWaalsContact SD-CD 3.57Å; M225-E354 HydrophobicContact SD-CG 3.6Å; M225-E354 VanDerWaalsContact SD-CG 3.6Å; M225-E354 PolarHBondContact SD-N 3.02Å; M225-E354 VanDerWaalsContact SD-N 3.39Å
226	Y	97.1	Very high	95	Very high	59 Å²	59	43.8 Å²	43.8	23%	0.231	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.1	179.6	168.8	-99.7	0	0	0	112.5	N206 E297 V298 Y299	N206-Y226 HydrophobicContact CB-CD1 4.1Å; Y226-E297 HydrophobicContact CE2-CB 4.35Å; Y226-V298 WeakPolarHBondContact CA-O 3.32Å; Y226-Y299 AromaticContact CD2-CD1 3.74Å; Y226-Y299 HydrophobicContact CD2-CD1 3.74Å; Y226-Y299 HydrophobicContact CD2-CD2 4.15Å; Y226-Y299 AromaticContact CD2-CE1 3.36Å; Y226-Y299 HydrophobicContact CD2-CE1 3.36Å; Y226-Y299 AromaticContact CD2-CE2 3.79Å; Y226-Y299 HydrophobicContact CD2-CE2 3.79Å; Y226-Y299 HydrophobicContact CD2-CG 4.12Å; Y226-Y299 AromaticContact CD2-CZ 3.39Å; Y226-Y299 AromaticContact CE2-CE1 3.92Å; Y226-Y299 HydrophobicContact CE2-CE1 3.92Å; Y226-Y299 AromaticContact CE2-CE2 3.79Å; Y226-Y299 HydrophobicContact CE2-CE2 3.79Å; Y226-Y299 AromaticContact CE2-CZ 3.45Å; Y226-Y299 VanDerWaalsContact CE2-CZ 3.45Å; Y226-Y299 WeakPolarHBondContact CE2-OH 3.11Å; Y226-Y299 HydrophobicContact CG-CD1 4.41Å; Y226-Y299 HydrophobicContact CG-CE1 4.11Å
227	Q	94.9	Very high	95.2	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165.6	165.7	69.6	174.3	-65.7	0	0	112.3	N200 F202 F231 V298	N200-Q227 PolarHBondContact O-NE2 3.2Å; N200-Q227 PolarHBondContact O-OE1 3.39Å; F202-Q227 HydrophobicContact CD1-CB 3.87Å; F202-Q227 HydrophobicContact CD1-CG 3.63Å; F202-Q227 HydrophobicContact CE1-CB 4.26Å; F202-Q227 HydrophobicContact CE1-CG 3.59Å; F202-Q227 HydrophobicContact CG-CG 4.28Å; F202-Q227 HydrophobicContact CZ-CG 4.18Å; Q227-F231 HydrophobicContact CG-CE2 4.26Å; Q227-F231 HydrophobicContact CG-CZ 4.06Å; Q227-V298 PolarHBondContact N-O 3.29Å; Q227-V298 VanDerWaalsContact N-O 3.12Å; Q227-V298 PolarHBondContact O-N 2.9Å
228	Q	94.5	Very high	95.3	Very high	67 Å²	67	40.3 Å²	40.3	31%	0.313	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.8	170.3	-175.8	-169.3	20	0	0	108.2	V296 E297 V361 N375	Q228-V296 WeakPolarHBondContact CA-O 3.23Å; Q228-E297 HydrophobicContact CB-CG 4.41Å; Q228-E297 HydrophobicContact CG-CG 4.09Å; Q228-V361 VanDerWaalsContact O-CG2 3.26Å; Q228-V361 WeakPolarHBondContact O-CG2 3.17Å; Q228-N375 PolarHBondContact NE2-ND2 3.04Å
229	G	91.1	Very high	95	Very high	10 Å²	10	41.5 Å²	41.5	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	177.5	-174.2	0	0	0	0	0	112.9	F231 K295 V296	G229-F231 WeakPolarHBondContact O-CD2 3.43Å; G229-K295 WeakPolarHBondContact O-CA 3.48Å; G229-V296 PolarHBondContact N-O 2.92Å; G229-V296 VanDerWaalsContact N-O 3.16Å; G229-V296 PolarHBondContact O-N 3.22Å
230	D	93.3	Very high	94.5	Very high	72 Å²	72	38 Å²	38	39%	0.385	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.2	172.2	-69.8	-59.1	0	0	0	109.9	R293 Q294 K295	D230-R293 HydrophobicContact CB-CG 4.42Å; D230-Q294 WeakPolarHBondContact CA-O 3.21Å; D230-K295 WeakPolarHBondContact OD1-CG 3.31Å
231	F	96.9	Very high	93.8	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	165.8	-179.8	-62.2	-72.6	0	0	0	111.1	N200 Q227 G229 L250 M252 R293 Q294 V296 V298	N200-F231 HydrophobicContact CB-CZ 4.41Å; Q227-F231 HydrophobicContact CG-CE2 4.26Å; Q227-F231 HydrophobicContact CG-CZ 4.06Å; G229-F231 WeakPolarHBondContact O-CD2 3.43Å; F231-L250 HydrophobicContact CB-CD1 3.68Å; F231-L250 HydrophobicContact CG-CD1 4.24Å; F231-M252 HydrophobicContact CD1-CB 4.33Å; F231-M252 HydrophobicContact CD1-CE 4.47Å; F231-M252 HydrophobicContact CD1-CG 3.91Å; F231-M252 HydrophobicContact CE1-CB 4.45Å; F231-M252 HydrophobicContact CE1-CE 3.76Å; F231-M252 HydrophobicContact CE1-CG 4.12Å; F231-M252 HydrophobicContact CZ-CE 4.08Å; F231-R293 CarbonylContact O-C 3.52Å; F231-R293 VanDerWaalsContact O-CA 3.26Å; F231-R293 WeakPolarHBondContact O-CA 3.35Å; F231-Q294 PolarHBondContact N-O 2.96Å; F231-Q294 PolarHBondContact O-N 2.8Å; F231-Q294 VanDerWaalsContact O-O 3.09Å; F231-V296 HydrophobicContact CB-CB 4.46Å; F231-V296 HydrophobicContact CB-CG2 4.25Å; F231-V296 HydrophobicContact CD2-CB 4.13Å; F231-V298 HydrophobicContact CD2-CG2 3.7Å; F231-V298 HydrophobicContact CE2-CG2 3.69Å; F231-V298 HydrophobicContact CG-CG2 4.41Å; F231-V298 HydrophobicContact CZ-CG2 4.42Å
232	Y	98.3	Very high	93.1	Very high	46 Å²	46	48.3 Å²	48.3	18%	0.18	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.9	172.7	-67.9	-90.4	0	0	0	108.7	L250 E251 P253 V291 R293 R391	Y232-L250 CarbonylContact O-C 3.55Å; Y232-L250 WeakPolarHBondContact O-CA 3.43Å; Y232-E251 PolarHBondContact N-O 2.92Å; Y232-E251 PolarHBondContact O-N 3.1Å; Y232-P253 HydrophobicContact CD2-CG 4.14Å; Y232-P253 HydrophobicContact CE2-CG 4Å; Y232-V291 HydrophobicContact CD1-CG2 4.35Å; Y232-V291 HydrophobicContact CG-CG2 4.43Å; Y232-R293 HydrophobicContact CD1-CB 4.18Å; Y232-R293 HydrophobicContact CE1-CB 4.01Å; Y232-R391 PolarHBondContact OH-NH2 3.19Å
233	Y	98.6	Very high	92.1	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.4	-176.1	171.6	-93.5	0	0	0	111.9	E235 Q248 V249 K292 Q294 V296 Q376 V378	Y233-E235 HydrophobicContact CE1-CG 4.08Å; Y233-E235 WeakPolarHBondContact OH-CG 3.29Å; Y233-E235 PolarHBondContact OH-OE1 3.38Å; Y233-Q248 HydrophobicContact CE2-CB 4.03Å; Y233-Q248 HydrophobicContact CE2-CG 4.05Å; Y233-Q248 PolarHBondContact OH-NE2 3.38Å; Y233-V249 WeakPolarHBondContact CA-O 3.36Å; Y233-K292 PolarHBondContact N-O 3.48Å; Y233-K292 PolarHBondContact O-N 3.36Å; Y233-Q294 PolarHBondContact O-NE2 3.33Å; Y233-V296 HydrophobicContact CG-CG2 4.26Å; Y233-Q376 HydrophobicContact CD1-CB 4.17Å; Y233-Q376 HydrophobicContact CD1-CG 3.94Å; Y233-Q376 HydrophobicContact CE1-CB 3.91Å; Y233-Q376 HydrophobicContact CE1-CG 3.58Å; Y233-Q376 HydrophobicContact CE2-CB 4.4Å; Y233-V378 HydrophobicContact CD2-CG2 3.78Å; Y233-V378 HydrophobicContact CE2-CG2 3.65Å
234	G	97.7	Very high	91.2	Very high	11 Å²	11	53.2 Å²	53.2	11%	0.113	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.3	170.8	0	0	0	0	0	112	V249	G234-V249 PolarHBondContact N-O 3.23Å; G234-V249 PolarHBondContact O-N 3.08Å
235	E	97.1	Very high	90.7	Very high	99 Å²	99	53.5 Å²	53.5	46%	0.463	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.4	169.5	-71.5	175.1	-158.5	0	0	108.7	Y233 Y247	Y233-E235 HydrophobicContact CE1-CG 4.08Å; Y233-E235 WeakPolarHBondContact OH-CG 3.29Å; Y233-E235 PolarHBondContact OH-OE1 3.38Å; E235-Y247 WeakPolarHBondContact CA-O 3.49Å
236	F	96.9	Very high	90.6	Very high	16 Å²	16	55.4 Å²	55.4	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.1	-175.5	-65.5	-97.2	0	0	0	109.5	V246 Y247 V249 E286 W287 N290 V291	F236-V246 CarbonylContact O-C 3.49Å; F236-V246 WeakPolarHBondContact O-CA 3.36Å; F236-V246 WeakPolarHBondContact O-CB 2.96Å; F236-Y247 HydrophobicContact CB-CD1 4.47Å; F236-Y247 HydrophobicContact CB-CD2 4.24Å; F236-Y247 HydrophobicContact CB-CE1 3.86Å; F236-Y247 HydrophobicContact CB-CE2 3.59Å; F236-Y247 WeakPolarHBondContact CB-OH 3.44Å; F236-Y247 HydrophobicContact CD2-CE2 4.37Å; F236-Y247 HydrophobicContact CG-CE2 4.24Å; F236-Y247 PolarHBondContact N-O 2.85Å; F236-Y247 WeakPolarHBondContact O-CD1 3.26Å; F236-Y247 PolarHBondContact O-N 2.8Å; F236-V249 HydrophobicContact CD2-CB 4.03Å; F236-V249 HydrophobicContact CD2-CG2 3.48Å; F236-V249 VanDerWaalsContact CD2-CG2 3.48Å; F236-V249 HydrophobicContact CE2-CB 3.8Å; F236-V249 HydrophobicContact CE2-CG2 3.69Å; F236-V249 HydrophobicContact CG-CG2 4.44Å; F236-E286 HydrophobicContact CE1-CG 4.21Å; F236-W287 AromaticContact CD1-CD1 3.74Å; F236-W287 AromaticContact CD2-CD1 3.92Å; F236-W287 AromaticContact CE1-CD1 3.71Å; F236-W287 AromaticContact CE2-CD1 3.89Å; F236-W287 AromaticContact CG-CD1 3.84Å; F236-W287 HydrophobicContact CZ-CB 4.5Å; F236-W287 AromaticContact CZ-CD1 3.79Å; F236-N290 HydrophobicContact CE1-CB 3.87Å; F236-N290 HydrophobicContact CZ-CB 3.85Å; F236-V291 HydrophobicContact CE2-CG1 4.27Å; F236-V291 HydrophobicContact CZ-CG1 4.48Å
237	S	94.3	Very high	90.6	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.2	-179.8	178.4	0	0	0	0	110.8	G239 G245 Y247	S237-G239 PolarHBondContact O-N 3.49Å; S237-G239 PolarHBondContact OG-N 2.85Å; S237-G239 VanDerWaalsContact OG-N 3.15Å; S237-G245 WeakPolarHBondContact CA-O 3.35Å; S237-Y247 VanDerWaalsContact O-CE1 3.31Å; S237-Y247 WeakPolarHBondContact O-CE1 3.47Å
238	D	90.5	Very high	90.7	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.203	32%	0.323	C	S	.	.			trans	-74.4	-0.4	170.9	61.3	15.7	0	0	0	113.1	S240 G245 Y247 L275	D238-S240 VanDerWaalsContact C-N 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.35Å; D238-S240 WeakPolarHBondContact OD1-CB 3.43Å; D238-S240 PolarHBondContact OD1-N 3Å; D238-S240 PolarHBondContact OD1-OG 2.88Å; D238-S240 PolarHBondContact OD2-OG 3.46Å; D238-G245 VanDerWaalsContact CG-CA 3.48Å; D238-G245 PolarHBondContact N-O 3.45Å; D238-G245 VanDerWaalsContact N-O 3.07Å; D238-G245 VanDerWaalsContact OD1-C 3.32Å; D238-G245 VanDerWaalsContact OD1-CA 3.25Å; D238-G245 WeakPolarHBondContact OD1-CA 3.28Å; D238-G245 VanDerWaalsContact OD1-O 3.12Å; D238-G245 WeakPolarHBondContact OD2-CA 3.3Å; D238-Y247 HydrophobicContact CB-CD1 4.12Å; D238-L275 HydrophobicContact CB-CD2 3.75Å
239	G	87.3	Confident	90.9	Very high	65 Å²	65	51.1 Å²	51.1	67%	0.67	31%	0.308	S	S	*	.	S	Bend	trans	84.5	-4.4	-177.3	0	0	0	0	0	114.2	S237	S237-G239 PolarHBondContact O-N 3.49Å; S237-G239 PolarHBondContact OG-N 2.85Å; S237-G239 VanDerWaalsContact OG-N 3.15Å
240	S	83.7	Confident	91.3	Very high	44 Å²	44	50.7 Å²	50.7	31%	0.308	30%	0.303	S	S	.	.			trans	-75.6	149.7	172.5	77.8	0	0	0	0	111	D238 E242 G245	D238-S240 VanDerWaalsContact C-N 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.35Å; D238-S240 WeakPolarHBondContact OD1-CB 3.43Å; D238-S240 PolarHBondContact OD1-N 3Å; D238-S240 PolarHBondContact OD1-OG 2.88Å; D238-S240 PolarHBondContact OD2-OG 3.46Å; S240-E242 PolarHBondContact O-N 2.92Å; S240-G245 VanDerWaalsContact OG-CA 3.29Å; S240-G245 WeakPolarHBondContact OG-CA 3.33Å
241	Q	79.6	Confident	91.5	Very high	202 Å²	202	47.3 Å²	47.3	94%	0.944	29%	0.285	S	S	*	.			trans	-87	8.2	173	-62.7	-172.3	1.2	0	0	112
242	E	78.8	Confident	91.6	Very high	155 Å²	155	47.3 Å²	47.3	72%	0.724	29%	0.285	S	S	*	.	S	Bend	trans	-75.6	148.8	-176.5	-62.9	-171.6	-175.8	0	0	111.2	S240 G244 G245	S240-E242 PolarHBondContact O-N 2.92Å; E242-G244 PolarHBondContact O-N 3Å; E242-G245 PolarHBondContact O-N 3.04Å
243	A	74.3	Confident	91.5	Very high	111 Å²	111	45.4 Å²	45.4	92%	0.917	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	105.2	176	0	0	0	0	0	109
244	G	76.8	Confident	91.3	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	22.2	-175.5	0	0	0	0	0	115.3	E242 V246 R267	E242-G244 PolarHBondContact O-N 3Å; G244-V246 PolarHBondContact O-N 3.12Å; G244-R267 WeakPolarHBondContact O-CD 3.5Å; G244-R267 PolarHBondContact O-NE 3.47Å; G244-R267 PolarHBondContact O-NH1 3.32Å; G244-R267 PolarHBondContact O-NH2 3.06Å
245	G	86	Confident	90.9	Very high	8 Å²	8	46.8 Å²	46.8	8%	0.082	28%	0.282	C	S	.	.			trans	-68.4	64.6	166.5	0	0	0	0	0	113.2	S237 D238 S240 E242	S237-G245 WeakPolarHBondContact CA-O 3.35Å; D238-G245 VanDerWaalsContact CG-CA 3.48Å; D238-G245 PolarHBondContact N-O 3.45Å; D238-G245 VanDerWaalsContact N-O 3.07Å; D238-G245 VanDerWaalsContact OD1-C 3.32Å; D238-G245 VanDerWaalsContact OD1-CA 3.25Å; D238-G245 WeakPolarHBondContact OD1-CA 3.28Å; D238-G245 VanDerWaalsContact OD1-O 3.12Å; D238-G245 WeakPolarHBondContact OD2-CA 3.3Å; S240-G245 VanDerWaalsContact OG-CA 3.29Å; S240-G245 WeakPolarHBondContact OG-CA 3.33Å; E242-G245 PolarHBondContact O-N 3.04Å
246	V	94.3	Very high	90.5	Very high	39 Å²	39	44.1 Å²	44.1	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.9	178.1	-60	0	0	0	0	111.2	F236 G244 R267	F236-V246 CarbonylContact O-C 3.49Å; F236-V246 WeakPolarHBondContact O-CA 3.36Å; F236-V246 WeakPolarHBondContact O-CB 2.96Å; G244-V246 PolarHBondContact O-N 3.12Å; V246-R267 WeakPolarHBondContact O-CD 3.45Å; V246-R267 WeakPolarHBondContact O-CG 3.44Å; V246-R267 PolarHBondContact O-NE 3.35Å
247	Y	97.1	Very high	90.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	160	171	60.1	-90.9	0	0	0	110.2	E235 F236 S237 D238 V249 V264 L265 L275 I278 W287	E235-Y247 WeakPolarHBondContact CA-O 3.49Å; F236-Y247 HydrophobicContact CB-CD1 4.47Å; F236-Y247 HydrophobicContact CB-CD2 4.24Å; F236-Y247 HydrophobicContact CB-CE1 3.86Å; F236-Y247 HydrophobicContact CB-CE2 3.59Å; F236-Y247 WeakPolarHBondContact CB-OH 3.44Å; F236-Y247 HydrophobicContact CD2-CE2 4.37Å; F236-Y247 HydrophobicContact CG-CE2 4.24Å; F236-Y247 PolarHBondContact N-O 2.85Å; F236-Y247 WeakPolarHBondContact O-CD1 3.26Å; F236-Y247 PolarHBondContact O-N 2.8Å; S237-Y247 VanDerWaalsContact O-CE1 3.31Å; S237-Y247 WeakPolarHBondContact O-CE1 3.47Å; D238-Y247 HydrophobicContact CB-CD1 4.12Å; Y247-V249 HydrophobicContact CD2-CG2 3.95Å; Y247-V249 HydrophobicContact CE2-CG2 3.71Å; Y247-V264 HydrophobicContact CD2-CG1 3.62Å; Y247-V264 HydrophobicContact CE2-CG1 3.81Å; Y247-L265 WeakPolarHBondContact CB-O 3.19Å; Y247-L275 HydrophobicContact CD1-CD1 4.2Å; Y247-L275 HydrophobicContact CD1-CD2 3.53Å; Y247-L275 HydrophobicContact CD2-CD1 4.39Å; Y247-L275 HydrophobicContact CE1-CD2 4.06Å; Y247-L275 HydrophobicContact CG-CD1 3.85Å; Y247-L275 HydrophobicContact CG-CD2 4.06Å; Y247-I278 HydrophobicContact CE1-CD1 3.84Å; Y247-W287 AromaticContact CE2-CE2 3.81Å; Y247-W287 AromaticContact CE2-CZ2 3.81Å; Y247-W287 HydrophobicContact CE2-CZ2 3.81Å; Y247-W287 AromaticContact CE2-NE1 3.48Å; Y247-W287 AromaticContact CZ-NE1 3.62Å; Y247-W287 PolarHBondContact OH-NE1 3.04Å
248	Q	98.3	Very high	90	Very high	41 Å²	41	46.4 Å²	46.4	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.7	-179.3	-62.4	-178.3	-60	0	0	110.2	Y233 V264 L265 Q377	Y233-Q248 HydrophobicContact CE2-CB 4.03Å; Y233-Q248 HydrophobicContact CE2-CG 4.05Å; Y233-Q248 PolarHBondContact OH-NE2 3.38Å; Q248-V264 WeakPolarHBondContact O-CA 3.39Å; Q248-L265 HydrophobicContact CB-CB 4.47Å; Q248-L265 PolarHBondContact N-O 2.67Å; Q248-L265 PolarHBondContact O-N 3.34Å; Q248-Q377 PolarHBondContact NE2-O 2.89Å
249	V	98.8	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.4	167.9	-176.1	0	0	0	0	108.6	Y233 G234 F236 Y247 M262 I263 V264 W287 V291	Y233-V249 WeakPolarHBondContact CA-O 3.36Å; G234-V249 PolarHBondContact N-O 3.23Å; G234-V249 PolarHBondContact O-N 3.08Å; F236-V249 HydrophobicContact CD2-CB 4.03Å; F236-V249 HydrophobicContact CD2-CG2 3.48Å; F236-V249 VanDerWaalsContact CD2-CG2 3.48Å; F236-V249 HydrophobicContact CE2-CB 3.8Å; F236-V249 HydrophobicContact CE2-CG2 3.69Å; F236-V249 HydrophobicContact CG-CG2 4.44Å; Y247-V249 HydrophobicContact CD2-CG2 3.95Å; Y247-V249 HydrophobicContact CE2-CG2 3.71Å; V249-M262 HydrophobicContact CG1-CG 3.62Å; V249-M262 HydrophobicContact CG1-SD 3.86Å; V249-I263 CarbonylContact C-O 3.46Å; V249-I263 WeakPolarHBondContact CA-O 3.17Å; V249-V264 HydrophobicContact CG1-CG2 4.39Å; V249-V264 HydrophobicContact CG2-CG1 4.34Å; V249-V264 HydrophobicContact CG2-CG2 4.21Å; V249-W287 HydrophobicContact CG1-CB 4.2Å; V249-W287 HydrophobicContact CG1-CG 4.33Å; V249-W287 HydrophobicContact CG2-CD2 4.25Å; V249-W287 HydrophobicContact CG2-CG 4.04Å; V249-V291 HydrophobicContact CB-CG1 4.17Å; V249-V291 HydrophobicContact CG1-CG1 3.93Å
250	L	98.8	Very high	90.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125	177	175.9	68.8	0	0	0	108.9	F231 Y232 M252 M262 I263 V296 V298 V378	F231-L250 HydrophobicContact CB-CD1 3.68Å; F231-L250 HydrophobicContact CG-CD1 4.24Å; Y232-L250 CarbonylContact O-C 3.55Å; Y232-L250 WeakPolarHBondContact O-CA 3.43Å; L250-M252 HydrophobicContact CD1-CG 4.46Å; L250-M252 HydrophobicContact CD2-CG 3.96Å; L250-M252 HydrophobicContact CD2-SD 3.89Å; L250-M252 HydrophobicContact CG-CG 3.93Å; L250-M262 CarbonylContact O-C 3.58Å; L250-M262 WeakPolarHBondContact O-CA 3.48Å; L250-I263 HydrophobicContact CB-CB 4.49Å; L250-I263 PolarHBondContact N-O 3.49Å; L250-I263 PolarHBondContact O-N 2.89Å; L250-V296 HydrophobicContact CD1-CG1 4.24Å; L250-V298 HydrophobicContact CD1-CG2 4.21Å; L250-V298 HydrophobicContact CD2-CB 4.35Å; L250-V298 HydrophobicContact CD2-CG1 3.69Å; L250-V298 HydrophobicContact CD2-CG2 3.71Å; L250-V378 HydrophobicContact CB-CG1 4.19Å; L250-V378 HydrophobicContact CB-CG2 4.26Å; L250-V378 HydrophobicContact CD2-CB 4.09Å; L250-V378 HydrophobicContact CD2-CG1 3.87Å; L250-V378 HydrophobicContact CD2-CG2 4.42Å
251	E	98.6	Very high	91.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.8	172.5	178.6	-179.2	-169.2	0	0	110.2	Y232 S260 M261 M262 R389 R391	Y232-E251 PolarHBondContact N-O 2.92Å; Y232-E251 PolarHBondContact O-N 3.1Å; E251-S260 WeakPolarHBondContact OE1-CB 3.21Å; E251-S260 PolarHBondContact OE1-OG 2.87Å; E251-M261 WeakPolarHBondContact CA-O 3.37Å; E251-M262 HydrophobicContact CB-CB 4.43Å; E251-M262 HydrophobicContact CB-CE 4.39Å; E251-M262 HydrophobicContact CB-CG 4.48Å; E251-R389 IonicContact OE1-NE 2.8Å; E251-R391 VanDerWaalsContact OE1-CD 3.32Å; E251-R391 WeakPolarHBondContact OE1-CD 3.49Å; E251-R391 WeakPolarHBondContact OE1-CG 3.22Å; E251-R391 IonicContact OE1-NE 3.03Å; E251-R391 PolarHBondContact OE1-NE 3.13Å
252	M	97.8	Very high	92.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113	-177.1	-63	-173.8	60.2	0	0	109.9	W198 F202 F231 L250 S260 M261 V298 L300	W198-M252 HydrophobicContact CD2-CE 4.43Å; W198-M252 HydrophobicContact CE3-CB 4.2Å; W198-M252 HydrophobicContact CE3-CE 4.26Å; W198-M252 HydrophobicContact CZ3-CB 3.76Å; W198-M252 HydrophobicContact CZ3-CE 4.4Å; F202-M252 HydrophobicContact CE2-CE 3.65Å; F202-M252 HydrophobicContact CZ-CE 3.6Å; F202-M252 HydrophobicContact CZ-SD 4.44Å; F231-M252 HydrophobicContact CD1-CB 4.33Å; F231-M252 HydrophobicContact CD1-CE 4.47Å; F231-M252 HydrophobicContact CD1-CG 3.91Å; F231-M252 HydrophobicContact CE1-CB 4.45Å; F231-M252 HydrophobicContact CE1-CE 3.76Å; F231-M252 HydrophobicContact CE1-CG 4.12Å; F231-M252 HydrophobicContact CZ-CE 4.08Å; L250-M252 HydrophobicContact CD1-CG 4.46Å; L250-M252 HydrophobicContact CD2-CG 3.96Å; L250-M252 HydrophobicContact CD2-SD 3.89Å; L250-M252 HydrophobicContact CG-CG 3.93Å; M252-S260 CarbonylContact O-C 3.57Å; M252-S260 VanDerWaalsContact O-CA 3.28Å; M252-S260 WeakPolarHBondContact O-CA 3.46Å; M252-S260 WeakPolarHBondContact O-CB 3.48Å; M252-M261 PolarHBondContact N-O 2.69Å; M252-M261 PolarHBondContact O-N 3.29Å; M252-V298 HydrophobicContact CE-CG1 4.46Å; M252-V298 HydrophobicContact SD-CG1 3.91Å; M252-L300 HydrophobicContact SD-CD2 4.32Å
253	P	96.3	Very high	93	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139	176.6	-19	32.4	0	0	0	112.3	K199 Y232 E257	K199-P253 HydrophobicContact CB-CB 4.24Å; K199-P253 WeakPolarHBondContact CB-O 3.38Å; K199-P253 HydrophobicContact CD-CB 4.25Å; K199-P253 PolarHBondContact N-O 2.87Å; Y232-P253 HydrophobicContact CD2-CG 4.14Å; Y232-P253 HydrophobicContact CE2-CG 4Å; P253-E257 HydrophobicContact CB-CG 4.35Å
254	Y	94	Very high	94.2	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.016	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-76	164.9	158.4	-67.3	-76.2	0	0	0	109.8	F194 S197 W198 E257 M259 M261 I388	F194-Y254 HydrophobicContact CE1-CD2 4.49Å; F194-Y254 AromaticContact CE1-CE1 3.9Å; F194-Y254 HydrophobicContact CE1-CE1 3.9Å; F194-Y254 AromaticContact CE1-CE2 3.79Å; F194-Y254 HydrophobicContact CE1-CE2 3.79Å; F194-Y254 AromaticContact CE1-CZ 3.45Å; F194-Y254 VanDerWaalsContact CE1-CZ 3.45Å; F194-Y254 WeakPolarHBondContact CE1-OH 3.3Å; F194-Y254 HydrophobicContact CZ-CD1 4.24Å; F194-Y254 AromaticContact CZ-CD2 3.87Å; F194-Y254 HydrophobicContact CZ-CD2 3.87Å; F194-Y254 AromaticContact CZ-CE1 3.98Å; F194-Y254 HydrophobicContact CZ-CE1 3.98Å; F194-Y254 AromaticContact CZ-CE2 3.59Å; F194-Y254 HydrophobicContact CZ-CE2 3.59Å; F194-Y254 HydrophobicContact CZ-CG 4.19Å; F194-Y254 AromaticContact CZ-CZ 3.66Å; S197-Y254 CarbonylContact O-C 3.45Å; S197-Y254 WeakPolarHBondContact O-CA 3.39Å; S197-Y254 WeakPolarHBondContact O-CB 3.42Å; S197-Y254 WeakPolarHBondContact O-CD1 3.4Å; W198-Y254 HydrophobicContact CD2-CD1 4.32Å; W198-Y254 HydrophobicContact CD2-CE1 4.04Å; W198-Y254 AromaticContact CE3-CD1 3.82Å; W198-Y254 HydrophobicContact CE3-CD1 3.82Å; W198-Y254 AromaticContact CE3-CE1 3.65Å; W198-Y254 HydrophobicContact CE3-CE1 3.65Å; W198-Y254 HydrophobicContact CE3-CG 4.46Å; W198-Y254 AromaticContact CH2-CE1 3.82Å; W198-Y254 HydrophobicContact CH2-CE1 3.82Å; W198-Y254 AromaticContact CH2-CZ 3.68Å; W198-Y254 WeakPolarHBondContact CH2-OH 3.32Å; W198-Y254 HydrophobicContact CZ2-CE1 4.19Å; W198-Y254 HydrophobicContact CZ3-CD1 4.04Å; W198-Y254 AromaticContact CZ3-CE1 3.52Å; W198-Y254 HydrophobicContact CZ3-CE1 3.52Å; W198-Y254 HydrophobicContact CZ3-CE2 4.09Å; W198-Y254 AromaticContact CZ3-CZ 3.54Å; Y254-E257 WeakPolarHBondContact O-CA 3.4Å; Y254-E257 PolarHBondContact O-N 3.37Å; Y254-M259 HydrophobicContact CD2-CB 3.93Å; Y254-M259 PolarHBondContact N-O 2.77Å; Y254-M261 HydrophobicContact CE2-CB 4.13Å; Y254-M261 WeakPolarHBondContact OH-CE 3.25Å; Y254-I388 HydrophobicContact CE2-CG2 4.21Å
255	E	89.9	Confident	95.2	Very high	44 Å²	44	16.2 Å²	16.2	21%	0.206	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141.4	174.8	-176	67.5	-157	0	0	110.4	H111 S197 E257 S357	H111-E255 HydrophobicContact CB-CB 3.4Å; H111-E255 VanDerWaalsContact CB-CB 3.4Å; H111-E255 HydrophobicContact CB-CG 3.35Å; H111-E255 VanDerWaalsContact CD2-CG 3.41Å; H111-E255 WeakPolarHBondContact CD2-CG 3.19Å; H111-E255 WeakPolarHBondContact ND1-CG 3.31Å; S197-E255 PolarHBondContact O-N 3.14Å; E255-E257 VanDerWaalsContact C-N 3.26Å; E255-E257 PolarHBondContact O-N 2.95Å; E255-S357 VanDerWaalsContact CG-OG 3.3Å; E255-S357 WeakPolarHBondContact CG-OG 3.38Å; E255-S357 WeakPolarHBondContact OE2-CB 3.29Å; E255-S357 PolarHBondContact OE2-OG 3.22Å
256	G	88.1	Confident	95.7	Very high	43 Å²	43	16 Å²	16	44%	0.443	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-14	-168.6	0	0	0	0	0	115.1	D258	G256-D258 PolarHBondContact O-N 3.39Å
257	E	90.9	Very high	95.6	Very high	66 Å²	66	19.6 Å²	19.6	31%	0.308	10%	0.101	S	C	.	.	S	Bend	trans	63.6	-3.5	174.1	-59.9	-171	-122.8	0	0	117.7	K199 P253 Y254 E255 R391	K199-E257 HydrophobicContact CD-CG 3.74Å; K199-E257 WeakPolarHBondContact CE-OE1 3.42Å; K199-E257 IonicContact NZ-OE1 3.2Å; K199-E257 PolarHBondContact NZ-OE1 2.68Å; K199-E257 IonicContact NZ-OE2 3.82Å; K199-E257 PolarHBondContact NZ-OE2 3Å; P253-E257 HydrophobicContact CB-CG 4.35Å; Y254-E257 WeakPolarHBondContact O-CA 3.4Å; Y254-E257 PolarHBondContact O-N 3.37Å; E255-E257 VanDerWaalsContact C-N 3.26Å; E255-E257 PolarHBondContact O-N 2.95Å; E257-R391 WeakPolarHBondContact O-CD 3.41Å; E257-R391 PolarHBondContact O-NH1 3.01Å
258	D	89.4	Confident	95.2	Very high	72 Å²	72	24.1 Å²	24.1	39%	0.385	12%	0.123	S	C	.	.	S	Bend	trans	-73	-31.3	174.8	-76.8	-30.1	0	0	0	112.2	G256 N390 R391	G256-D258 PolarHBondContact O-N 3.39Å; D258-N390 CarbonylContact O-C 3.57Å; D258-N390 WeakPolarHBondContact O-CA 3.45Å; D258-R391 PolarHBondContact O-N 2.6Å
259	M	92.6	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.2	176.5	-63.5	-60.1	-66.9	0	0	110.6	L105 Y112 Y254 I388 R389 N390 L397	L105-M259 HydrophobicContact CD2-CE 4.13Å; L105-M259 HydrophobicContact CD2-SD 3.57Å; L105-M259 VanDerWaalsContact CD2-SD 3.57Å; Y112-M259 HydrophobicContact CD1-CB 4.4Å; Y112-M259 HydrophobicContact CD1-CG 4.04Å; Y112-M259 HydrophobicContact CE1-CB 4.26Å; Y112-M259 HydrophobicContact CE1-CG 3.57Å; Y112-M259 HydrophobicContact CE2-CG 4.17Å; Y254-M259 HydrophobicContact CD2-CB 3.93Å; Y254-M259 PolarHBondContact N-O 2.77Å; M259-I388 HydrophobicContact CE-CG2 3.85Å; M259-R389 WeakPolarHBondContact CA-O 3.28Å; M259-N390 VanDerWaalsContact SD-CA 3.58Å; M259-N390 HydrophobicContact SD-CB 3.69Å; M259-L397 HydrophobicContact CE-CB 4.04Å; M259-L397 HydrophobicContact CE-CD2 3.87Å
260	S	96.2	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.5	171.7	55.7	0	0	0	0	112.3	E251 M252 I388 R389 R391	E251-S260 WeakPolarHBondContact OE1-CB 3.21Å; E251-S260 PolarHBondContact OE1-OG 2.87Å; M252-S260 CarbonylContact O-C 3.57Å; M252-S260 VanDerWaalsContact O-CA 3.28Å; M252-S260 WeakPolarHBondContact O-CA 3.46Å; M252-S260 WeakPolarHBondContact O-CB 3.48Å; S260-I388 VanDerWaalsContact O-CA 3.29Å; S260-I388 WeakPolarHBondContact O-CA 3.26Å; S260-R389 PolarHBondContact N-O 2.91Å; S260-R389 PolarHBondContact O-N 3.39Å; S260-R391 WeakPolarHBondContact OG-CD 3.13Å; S260-R391 VanDerWaalsContact OG-CG 3.25Å; S260-R391 WeakPolarHBondContact OG-CG 3.25Å
261	M	98.1	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.5	161.2	-177.4	176.1	-78	0	0	108.9	W198 E251 M252 Y254 I263 L350 V352 V387 I388	W198-M261 HydrophobicContact CH2-CB 3.79Å; W198-M261 HydrophobicContact CH2-CE 4.28Å; W198-M261 HydrophobicContact CH2-CG 4.44Å; W198-M261 HydrophobicContact CH2-SD 3.86Å; W198-M261 HydrophobicContact CZ3-CB 3.95Å; E251-M261 WeakPolarHBondContact CA-O 3.37Å; M252-M261 PolarHBondContact N-O 2.69Å; M252-M261 PolarHBondContact O-N 3.29Å; Y254-M261 HydrophobicContact CE2-CB 4.13Å; Y254-M261 WeakPolarHBondContact OH-CE 3.25Å; M261-I263 HydrophobicContact CG-CG1 4.06Å; M261-I263 HydrophobicContact SD-CD1 4.26Å; M261-I263 HydrophobicContact SD-CG1 4.22Å; M261-L350 HydrophobicContact CE-CD2 4.01Å; M261-V352 HydrophobicContact CE-CG2 3.73Å; M261-V387 CarbonylContact C-O 3.59Å; M261-V387 WeakPolarHBondContact CA-O 3.42Å; M261-I388 HydrophobicContact CB-CG1 4.42Å; M261-I388 HydrophobicContact CE-CD1 3.76Å; M261-I388 HydrophobicContact CE-CG1 3.91Å; M261-I388 HydrophobicContact CG-CG1 4.41Å
262	M	98.6	Very high	93.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.1	168.7	-175.8	179.3	-70.6	0	0	108.9	V249 L250 E251 W287 A288 F386 V387	V249-M262 HydrophobicContact CG1-CG 3.62Å; V249-M262 HydrophobicContact CG1-SD 3.86Å; L250-M262 CarbonylContact O-C 3.58Å; L250-M262 WeakPolarHBondContact O-CA 3.48Å; E251-M262 HydrophobicContact CB-CB 4.43Å; E251-M262 HydrophobicContact CB-CE 4.39Å; E251-M262 HydrophobicContact CB-CG 4.48Å; M262-W287 HydrophobicContact CE-CB 4.05Å; M262-W287 HydrophobicContact SD-CB 3.71Å; M262-W287 HydrophobicContact SD-CD2 4.39Å; M262-W287 HydrophobicContact SD-CE3 3.83Å; M262-W287 HydrophobicContact SD-CG 4.41Å; M262-A288 HydrophobicContact CE-CB 4.15Å; M262-F386 CarbonylContact O-C 3.5Å; M262-F386 WeakPolarHBondContact O-CA 2.98Å; M262-F386 WeakPolarHBondContact O-CB 3.35Å; M262-V387 HydrophobicContact CB-CB 4.46Å; M262-V387 PolarHBondContact N-O 2.65Å; M262-V387 PolarHBondContact O-N 3.06Å
263	I	98.7	Very high	93.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.9	178.8	-59.8	175.7	0	0	0	107.6	V249 L250 M261 L300 F384	V249-I263 CarbonylContact C-O 3.46Å; V249-I263 WeakPolarHBondContact CA-O 3.17Å; L250-I263 HydrophobicContact CB-CB 4.49Å; L250-I263 PolarHBondContact N-O 3.49Å; L250-I263 PolarHBondContact O-N 2.89Å; M261-I263 HydrophobicContact CG-CG1 4.06Å; M261-I263 HydrophobicContact SD-CD1 4.26Å; M261-I263 HydrophobicContact SD-CG1 4.22Å; I263-L300 HydrophobicContact CD1-CD1 3.43Å; I263-L300 VanDerWaalsContact CD1-CD1 3.43Å; I263-L300 HydrophobicContact CD1-CD2 4.16Å; I263-L300 HydrophobicContact CD1-CG 4.43Å; I263-F384 HydrophobicContact CG2-CB 4.21Å; I263-F384 HydrophobicContact CG2-CD2 3.95Å; I263-F384 HydrophobicContact CG2-CG 4.24Å
264	V	98.6	Very high	93.5	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.4	176.9	-175.9	0	0	0	0	107.3	Y247 Q248 V249 L275 W287 F385	Y247-V264 HydrophobicContact CD2-CG1 3.62Å; Y247-V264 HydrophobicContact CE2-CG1 3.81Å; Q248-V264 WeakPolarHBondContact O-CA 3.39Å; V249-V264 HydrophobicContact CG1-CG2 4.39Å; V249-V264 HydrophobicContact CG2-CG1 4.34Å; V249-V264 HydrophobicContact CG2-CG2 4.21Å; V264-L275 HydrophobicContact CG1-CD1 4.42Å; V264-W287 HydrophobicContact CB-CH2 4.4Å; V264-W287 HydrophobicContact CG1-CH2 4.04Å; V264-W287 HydrophobicContact CG1-CZ2 4.04Å; V264-W287 HydrophobicContact CG2-CD2 4.3Å; V264-W287 HydrophobicContact CG2-CE3 3.81Å; V264-W287 HydrophobicContact CG2-CH2 3.72Å; V264-W287 HydrophobicContact CG2-CZ2 4.2Å; V264-W287 HydrophobicContact CG2-CZ3 3.5Å; V264-W287 VanDerWaalsContact CG2-CZ3 3.5Å; V264-F385 HydrophobicContact CB-CB 4.25Å; V264-F385 HydrophobicContact CB-CD1 4Å; V264-F385 HydrophobicContact CG2-CD1 3.8Å; V264-F385 HydrophobicContact CG2-CE1 4.46Å; V264-F385 PolarHBondContact N-O 3.06Å; V264-F385 PolarHBondContact O-N 2.86Å
265	L	98.2	Very high	93.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.7	-169.2	-172.3	69.9	0	0	0	109	Y247 Q248 V378 M379 A380 H382 F384	Y247-L265 WeakPolarHBondContact CB-O 3.19Å; Q248-L265 HydrophobicContact CB-CB 4.47Å; Q248-L265 PolarHBondContact N-O 2.67Å; Q248-L265 PolarHBondContact O-N 3.34Å; L265-V378 HydrophobicContact CD2-CG1 3.91Å; L265-M379 WeakPolarHBondContact CD2-O 3.29Å; L265-A380 HydrophobicContact CD1-CB 4.35Å; L265-H382 WeakPolarHBondContact CD1-NE2 3.27Å; L265-F384 HydrophobicContact CD1-CB 3.76Å
266	P	96.1	Very high	93.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.019	21%	0.21	C	C	.	.			trans	-61.7	176	170.2	27.8	-33.2	0	0	0	110.8	V270 L272 L275 H382 P383	P266-V270 HydrophobicContact CB-CB 4.16Å; P266-V270 HydrophobicContact CB-CG1 4.17Å; P266-V270 WeakPolarHBondContact CB-O 3.35Å; P266-V270 WeakPolarHBondContact CG-O 3.29Å; P266-L272 HydrophobicContact CG-CD1 4.47Å; P266-L275 HydrophobicContact CB-CD1 3.62Å; P266-L275 HydrophobicContact CB-CG 4.24Å; P266-L275 HydrophobicContact CG-CD1 4.3Å; P266-H382 PolarHBondContact O-NE2 2.74Å; P266-P383 WeakPolarHBondContact CD-O 3.42Å
267	R	93.4	Very high	93.9	Very high	116 Å²	116	39.8 Å²	39.8	44%	0.438	21%	0.213	S	C	.	.			trans	-71.2	152.1	165.1	-75.1	174.7	172.2	-147.1	-0.3	109.4	G244 V246 E269 V270	G244-R267 WeakPolarHBondContact O-CD 3.5Å; G244-R267 PolarHBondContact O-NE 3.47Å; G244-R267 PolarHBondContact O-NH1 3.32Å; G244-R267 PolarHBondContact O-NH2 3.06Å; V246-R267 WeakPolarHBondContact O-CD 3.45Å; V246-R267 WeakPolarHBondContact O-CG 3.44Å; V246-R267 PolarHBondContact O-NE 3.35Å; R267-E269 PolarHBondContact O-N 3.38Å; R267-V270 HydrophobicContact CB-CB 4.42Å; R267-V270 HydrophobicContact CB-CG2 4.05Å; R267-V270 WeakPolarHBondContact O-CA 3.33Å; R267-V270 WeakPolarHBondContact O-CB 3.3Å; R267-V270 PolarHBondContact O-N 3.19Å
268	Q	87.9	Confident	94.1	Very high	99 Å²	99	39.3 Å²	39.3	46%	0.463	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.8	-174.9	-167	167.2	32.4	0	0	114.8	D381	Q268-D381 PolarHBondContact NE2-OD2 3.18Å
269	E	87.3	Confident	94.4	Very high	174 Å²	174	36 Å²	36	81%	0.813	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	1.2	179.4	-55.6	-62.4	158.4	0	0	113.7	R267	R267-E269 PolarHBondContact O-N 3.38Å
270	V	92.2	Very high	94.5	Very high	40 Å²	40	42 Å²	42	24%	0.242	22%	0.221	C	C	.	.	S	Bend	trans	-111	115	-174.8	177.8	0	0	0	0	108.7	P266 R267 S274	P266-V270 HydrophobicContact CB-CB 4.16Å; P266-V270 HydrophobicContact CB-CG1 4.17Å; P266-V270 WeakPolarHBondContact CB-O 3.35Å; P266-V270 WeakPolarHBondContact CG-O 3.29Å; R267-V270 HydrophobicContact CB-CB 4.42Å; R267-V270 HydrophobicContact CB-CG2 4.05Å; R267-V270 WeakPolarHBondContact O-CA 3.33Å; R267-V270 WeakPolarHBondContact O-CB 3.3Å; R267-V270 PolarHBondContact O-N 3.19Å; V270-S274 WeakPolarHBondContact CG1-OG 3.46Å
271	P	93.2	Very high	94.4	Very high	63 Å²	63	42.7 Å²	42.7	41%	0.409	23%	0.226	S	C	.	.			trans	-59.8	144.9	177	-23	32.8	0	0	0	111.7	D215 A273 S274	D215-P271 HydrophobicContact CB-CB 4.5Å; P271-A273 PolarHBondContact O-N 3.1Å; P271-S274 WeakPolarHBondContact O-CB 3.25Å; P271-S274 PolarHBondContact O-N 3.05Å; P271-S274 PolarHBondContact O-OG 3.01Å
272	L	95.1	Very high	94.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.2	-34.9	178	178.8	63.1	0	0	0	111.4	D215 P266 S274 L275 E276 P383 F385 R401 M403	D215-L272 PolarHBondContact OD2-N 2.81Å; D215-L272 VanDerWaalsContact OD2-N 3.15Å; P266-L272 HydrophobicContact CG-CD1 4.47Å; L272-S274 PolarHBondContact O-N 2.75Å; L272-L275 PolarHBondContact O-N 3.31Å; L272-E276 HydrophobicContact CG-CG 4.11Å; L272-E276 PolarHBondContact O-N 3.11Å; L272-P383 HydrophobicContact CB-CB 3.95Å; L272-P383 HydrophobicContact CD2-CB 4.27Å; L272-F385 HydrophobicContact CD1-CB 4.05Å; L272-R401 HydrophobicContact CD2-CB 3.72Å; L272-R401 HydrophobicContact CD2-CG 4.4Å; L272-M403 HydrophobicContact CD2-SD 3.95Å
273	A	92.8	Very high	94	Very high	43 Å²	43	47.9 Å²	47.9	36%	0.355	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-56.1	-18.7	178.1	0	0	0	0	0	114.6	P271 E276 P277	P271-A273 PolarHBondContact O-N 3.1Å; A273-E276 WeakPolarHBondContact CA-OE2 2.96Å; A273-P277 VanDerWaalsContact O-CD 3.23Å; A273-P277 WeakPolarHBondContact O-CD 3.48Å
274	S	91.9	Very high	93.9	Very high	63 Å²	63	48.5 Å²	48.5	44%	0.441	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-78.6	-28	174.7	71.7	0	0	0	0	113.2	V270 P271 L272	V270-S274 WeakPolarHBondContact CG1-OG 3.46Å; P271-S274 WeakPolarHBondContact O-CB 3.25Å; P271-S274 PolarHBondContact O-N 3.05Å; P271-S274 PolarHBondContact O-OG 3.01Å; L272-S274 PolarHBondContact O-N 2.75Å
275	L	93.3	Very high	93.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-31.6	177.4	-67.3	-175	0	0	0	112.7	D238 Y247 V264 P266 L272 P277 I278	D238-L275 HydrophobicContact CB-CD2 3.75Å; Y247-L275 HydrophobicContact CD1-CD1 4.2Å; Y247-L275 HydrophobicContact CD1-CD2 3.53Å; Y247-L275 HydrophobicContact CD2-CD1 4.39Å; Y247-L275 HydrophobicContact CE1-CD2 4.06Å; Y247-L275 HydrophobicContact CG-CD1 3.85Å; Y247-L275 HydrophobicContact CG-CD2 4.06Å; V264-L275 HydrophobicContact CG1-CD1 4.42Å; P266-L275 HydrophobicContact CB-CD1 3.62Å; P266-L275 HydrophobicContact CB-CG 4.24Å; P266-L275 HydrophobicContact CG-CD1 4.3Å; L272-L275 PolarHBondContact O-N 3.31Å; L275-P277 VanDerWaalsContact C-CD 3.42Å; L275-P277 VanDerWaalsContact C-N 3.33Å; L275-I278 HydrophobicContact CD2-CD1 4.25Å; L275-I278 WeakPolarHBondContact O-CG1 3.48Å; L275-I278 PolarHBondContact O-N 3.24Å
276	E	94.1	Very high	93.5	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.014	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-52.3	-42.8	-176.3	-65.4	178.4	118.5	0	0	113.7	Y42 H43 Q46 L272 A273 I278 I279 R401	Y42-E276 HydrophobicContact CE1-CB 4.4Å; Y42-E276 HydrophobicContact CE1-CG 4.28Å; Y42-E276 PolarHBondContact OH-OE1 2.75Å; H43-E276 PolarHBondContact CE1-O 2.9Å; H43-E276 VanDerWaalsContact CE1-O 3.24Å; Q46-E276 PolarHBondContact NE2-OE2 3.48Å; L272-E276 HydrophobicContact CG-CG 4.11Å; L272-E276 PolarHBondContact O-N 3.11Å; A273-E276 WeakPolarHBondContact CA-OE2 2.96Å; E276-I278 PolarHBondContact O-N 3.26Å; E276-I278 VanDerWaalsContact O-N 3.16Å; E276-I279 WeakPolarHBondContact O-CB 3.26Å; E276-I279 WeakPolarHBondContact O-CG1 3.48Å; E276-I279 PolarHBondContact O-N 3.38Å; E276-R401 WeakPolarHBondContact OE1-CD 3.47Å; E276-R401 IonicContact OE1-CZ 2.78Å; E276-R401 IonicContact OE1-NE 3.94Å; E276-R401 IonicContact OE1-NH1 2.88Å; E276-R401 PolarHBondContact OE1-NH1 2.74Å; E276-R401 IonicContact OE2-NH1 2.74Å; E276-R401 PolarHBondContact OE2-NH1 3.04Å
277	P	93.6	Very high	93.6	Very high	79 Å²	79	56.9 Å²	56.9	51%	0.513	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.1	-179.9	-24.4	35.5	0	0	0	115.5	A273 L275	A273-P277 VanDerWaalsContact O-CD 3.23Å; A273-P277 WeakPolarHBondContact O-CD 3.48Å; L275-P277 VanDerWaalsContact C-CD 3.42Å; L275-P277 VanDerWaalsContact C-N 3.33Å
278	I	94	Very high	93.7	Very high	56 Å²	56	52.4 Å²	52.4	29%	0.287	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-86.8	-13.3	177.9	64.8	159.5	0	0	0	112.5	Y247 L275 E276 K280 L283	Y247-I278 HydrophobicContact CE1-CD1 3.84Å; L275-I278 HydrophobicContact CD2-CD1 4.25Å; L275-I278 WeakPolarHBondContact O-CG1 3.48Å; L275-I278 PolarHBondContact O-N 3.24Å; E276-I278 PolarHBondContact O-N 3.26Å; E276-I278 VanDerWaalsContact O-N 3.16Å; I278-K280 PolarHBondContact O-N 3.27Å; I278-K280 VanDerWaalsContact O-N 3.11Å; I278-L283 HydrophobicContact CB-CD2 4.38Å; I278-L283 HydrophobicContact CD1-CD2 4.04Å; I278-L283 HydrophobicContact CG1-CD2 4.1Å; I278-L283 WeakPolarHBondContact O-CD2 3.34Å
279	I	95.7	Very high	94.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	29%	0.293	C	S	.	.			trans	-64.9	112.1	179.3	-56.1	-177	0	0	0	109.6	V39 Y42 H43 E276 L284 W287 F385	V39-I279 WeakPolarHBondContact CG1-O 3.38Å; Y42-I279 HydrophobicContact CE1-CD1 4.47Å; H43-I279 PolarHBondContact NE2-O 2.84Å; E276-I279 WeakPolarHBondContact O-CB 3.26Å; E276-I279 WeakPolarHBondContact O-CG1 3.48Å; E276-I279 PolarHBondContact O-N 3.38Å; I279-L284 HydrophobicContact CG2-CD2 4.08Å; I279-W287 HydrophobicContact CG1-CH2 4.11Å; I279-F385 HydrophobicContact CD1-CB 4.35Å; I279-F385 HydrophobicContact CD1-CD1 4.01Å; I279-F385 HydrophobicContact CD1-CD2 3.74Å; I279-F385 HydrophobicContact CD1-CE1 4.16Å; I279-F385 HydrophobicContact CD1-CE2 3.92Å; I279-F385 HydrophobicContact CD1-CG 3.77Å; I279-F385 HydrophobicContact CD1-CZ 4.13Å; I279-F385 HydrophobicContact CG2-CE1 4.48Å; I279-F385 HydrophobicContact CG2-CZ 4.11Å
280	K	95.1	Very high	94.6	Very high	127 Å²	127	48 Å²	48	55%	0.552	27%	0.274	S	S	*	.			trans	-139.5	155.1	-178.2	-66.4	179.1	-176	175.6	0	109.7	I278 L283 L284	I278-K280 PolarHBondContact O-N 3.27Å; I278-K280 VanDerWaalsContact O-N 3.11Å; K280-L283 WeakPolarHBondContact O-CA 3.15Å; K280-L283 WeakPolarHBondContact O-CB 3.23Å; K280-L283 PolarHBondContact O-N 2.84Å; K280-L284 PolarHBondContact O-N 3.36Å; K280-L284 VanDerWaalsContact O-N 3.1Å
281	A	93.8	Very high	94.8	Very high	14 Å²	14	46.5 Å²	46.5	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-45.4	-179.8	0	0	0	0	0	113.1	E36 L283 L284 E285	E36-A281 HydrophobicContact CB-CB 4.45Å; A281-L283 PolarHBondContact O-N 2.85Å; A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 2.86Å; A281-L284 VanDerWaalsContact O-N 3.16Å; A281-E285 PolarHBondContact O-N 3.48Å
282	P	94.4	Very high	95	Very high	91 Å²	91	49.2 Å²	49.2	59%	0.591	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-28.9	174.7	-25.2	35.7	0	0	0	114.2	E286	P282-E286 WeakPolarHBondContact O-CB 3.41Å; P282-E286 PolarHBondContact O-N 2.84Å
283	L	95.5	Very high	95.1	Very high	21 Å²	21	56 Å²	56	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-74.4	-36.4	178.1	-174.7	61.4	0	0	0	111.4	I278 K280 A281 E285 E286 W287	I278-L283 HydrophobicContact CB-CD2 4.38Å; I278-L283 HydrophobicContact CD1-CD2 4.04Å; I278-L283 HydrophobicContact CG1-CD2 4.1Å; I278-L283 WeakPolarHBondContact O-CD2 3.34Å; K280-L283 WeakPolarHBondContact O-CA 3.15Å; K280-L283 WeakPolarHBondContact O-CB 3.23Å; K280-L283 PolarHBondContact O-N 2.84Å; A281-L283 PolarHBondContact O-N 2.85Å; L283-E285 VanDerWaalsContact C-N 3.28Å; L283-E285 PolarHBondContact O-N 3Å; L283-E286 HydrophobicContact CD1-CB 4.39Å; L283-E286 WeakPolarHBondContact O-CB 3.4Å; L283-E286 PolarHBondContact O-N 3.49Å; L283-W287 HydrophobicContact CD1-CZ2 4.38Å; L283-W287 HydrophobicContact CD2-CH2 4.19Å; L283-W287 HydrophobicContact CD2-CZ2 3.49Å; L283-W287 VanDerWaalsContact CD2-CZ2 3.49Å; L283-W287 HydrophobicContact CG-CD2 4.28Å; L283-W287 HydrophobicContact CG-CH2 4.33Å; L283-W287 HydrophobicContact CG-CZ2 3.6Å; L283-W287 PolarHBondContact O-N 3.48Å
284	L	95.8	Very high	95.2	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-42.2	172.6	-57	-174.8	0	0	0	111.1	V39 I279 K280 A281 W287 A288 F385 V387 I396 M399	V39-L284 HydrophobicContact CG2-CD1 3.86Å; V39-L284 HydrophobicContact CG2-CG 4.49Å; I279-L284 HydrophobicContact CG2-CD2 4.08Å; K280-L284 PolarHBondContact O-N 3.36Å; K280-L284 VanDerWaalsContact O-N 3.1Å; A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 2.86Å; A281-L284 VanDerWaalsContact O-N 3.16Å; L284-W287 HydrophobicContact CD2-CE3 3.62Å; L284-W287 HydrophobicContact CD2-CH2 4.16Å; L284-W287 HydrophobicContact CD2-CZ3 3.23Å; L284-W287 PolarHBondContact O-N 2.82Å; L284-A288 PolarHBondContact O-N 2.98Å; L284-A288 VanDerWaalsContact O-N 3.09Å; L284-F385 HydrophobicContact CD2-CE1 4.3Å; L284-V387 HydrophobicContact CD2-CG2 4.43Å; L284-I396 HydrophobicContact CD1-CD1 3.5Å; L284-I396 VanDerWaalsContact CD1-CD1 3.5Å; L284-M399 HydrophobicContact CD1-CE 3.69Å
285	E	93.4	Very high	95.3	Very high	88 Å²	88	59.8 Å²	59.8	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-68.7	-41.1	175.9	-179.5	172.9	-166.9	0	0	112	A281 L283 W287 A288 N289	A281-E285 PolarHBondContact O-N 3.48Å; L283-E285 VanDerWaalsContact C-N 3.28Å; L283-E285 PolarHBondContact O-N 3Å; E285-W287 VanDerWaalsContact C-N 3.3Å; E285-W287 PolarHBondContact O-N 2.64Å; E285-A288 PolarHBondContact O-N 3.15Å; E285-N289 VanDerWaalsContact CG-ND2 3.29Å; E285-N289 WeakPolarHBondContact CG-ND2 3.41Å; E285-N289 WeakPolarHBondContact O-CB 3.47Å; E285-N289 PolarHBondContact O-N 3.18Å; E285-N289 PolarHBondContact O-ND2 2.78Å
286	E	95.9	Very high	95.5	Very high	92 Å²	92	59.6 Å²	59.6	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-56.4	-46.4	174	-172.6	-173.6	158.9	0	0	110.9	F236 P282 L283 N289 N290	F236-E286 HydrophobicContact CE1-CG 4.21Å; P282-E286 WeakPolarHBondContact O-CB 3.41Å; P282-E286 PolarHBondContact O-N 2.84Å; L283-E286 HydrophobicContact CD1-CB 4.39Å; L283-E286 WeakPolarHBondContact O-CB 3.4Å; L283-E286 PolarHBondContact O-N 3.49Å; E286-N289 PolarHBondContact O-N 3.43Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.25Å; E286-N290 WeakPolarHBondContact O-CB 3.38Å; E286-N290 PolarHBondContact O-N 3.06Å; E286-N290 PolarHBondContact O-ND2 3.07Å
287	W	97.5	Very high	95.6	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-54	175	-65.4	-20.9	0	0	0	111.5	F236 Y247 V249 M262 V264 I279 L283 L284 E285 N289 N290 V291 F385	F236-W287 AromaticContact CD1-CD1 3.74Å; F236-W287 AromaticContact CD2-CD1 3.92Å; F236-W287 AromaticContact CE1-CD1 3.71Å; F236-W287 AromaticContact CE2-CD1 3.89Å; F236-W287 AromaticContact CG-CD1 3.84Å; F236-W287 HydrophobicContact CZ-CB 4.5Å; F236-W287 AromaticContact CZ-CD1 3.79Å; Y247-W287 AromaticContact CE2-CE2 3.81Å; Y247-W287 AromaticContact CE2-CZ2 3.81Å; Y247-W287 HydrophobicContact CE2-CZ2 3.81Å; Y247-W287 AromaticContact CE2-NE1 3.48Å; Y247-W287 AromaticContact CZ-NE1 3.62Å; Y247-W287 PolarHBondContact OH-NE1 3.04Å; V249-W287 HydrophobicContact CG1-CB 4.2Å; V249-W287 HydrophobicContact CG1-CG 4.33Å; V249-W287 HydrophobicContact CG2-CD2 4.25Å; V249-W287 HydrophobicContact CG2-CG 4.04Å; M262-W287 HydrophobicContact CE-CB 4.05Å; M262-W287 HydrophobicContact SD-CB 3.71Å; M262-W287 HydrophobicContact SD-CD2 4.39Å; M262-W287 HydrophobicContact SD-CE3 3.83Å; M262-W287 HydrophobicContact SD-CG 4.41Å; V264-W287 HydrophobicContact CB-CH2 4.4Å; V264-W287 HydrophobicContact CG1-CH2 4.04Å; V264-W287 HydrophobicContact CG1-CZ2 4.04Å; V264-W287 HydrophobicContact CG2-CD2 4.3Å; V264-W287 HydrophobicContact CG2-CE3 3.81Å; V264-W287 HydrophobicContact CG2-CH2 3.72Å; V264-W287 HydrophobicContact CG2-CZ2 4.2Å; V264-W287 HydrophobicContact CG2-CZ3 3.5Å; V264-W287 VanDerWaalsContact CG2-CZ3 3.5Å; I279-W287 HydrophobicContact CG1-CH2 4.11Å; L283-W287 HydrophobicContact CD1-CZ2 4.38Å; L283-W287 HydrophobicContact CD2-CH2 4.19Å; L283-W287 HydrophobicContact CD2-CZ2 3.49Å; L283-W287 VanDerWaalsContact CD2-CZ2 3.49Å; L283-W287 HydrophobicContact CG-CD2 4.28Å; L283-W287 HydrophobicContact CG-CH2 4.33Å; L283-W287 HydrophobicContact CG-CZ2 3.6Å; L283-W287 PolarHBondContact O-N 3.48Å; L284-W287 HydrophobicContact CD2-CE3 3.62Å; L284-W287 HydrophobicContact CD2-CH2 4.16Å; L284-W287 HydrophobicContact CD2-CZ3 3.23Å; L284-W287 PolarHBondContact O-N 2.82Å; E285-W287 VanDerWaalsContact C-N 3.3Å; E285-W287 PolarHBondContact O-N 2.64Å; W287-N289 PolarHBondContact O-N 3.12Å; W287-N290 PolarHBondContact O-N 3.04Å; W287-V291 WeakPolarHBondContact O-CG1 3.48Å; W287-V291 WeakPolarHBondContact O-CG2 3.36Å; W287-V291 PolarHBondContact O-N 2.88Å; W287-V291 VanDerWaalsContact O-N 3.09Å; W287-F385 HydrophobicContact CH2-CE1 4.43Å; W287-F385 HydrophobicContact CZ3-CD1 4.29Å; W287-F385 AromaticContact CZ3-CE1 3.92Å; W287-F385 HydrophobicContact CZ3-CE1 3.92Å
288	A	95.3	Very high	95.9	Very high	23 Å²	23	57.6 Å²	57.6	19%	0.19	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-35.3	-178.3	0	0	0	0	0	113.2	M262 L284 E285	M262-A288 HydrophobicContact CE-CB 4.15Å; L284-A288 PolarHBondContact O-N 2.98Å; L284-A288 VanDerWaalsContact O-N 3.09Å; E285-A288 PolarHBondContact O-N 3.15Å
289	N	95.9	Very high	96.1	Very high	101 Å²	101	56.8 Å²	56.8	54%	0.54	27%	0.274	S	S	.	.	H	α-helix	trans	-84.2	-26.4	-178.3	-73	-32.5	0	0	0	113.6	E285 E286 W287 K292	E285-N289 VanDerWaalsContact CG-ND2 3.29Å; E285-N289 WeakPolarHBondContact CG-ND2 3.41Å; E285-N289 WeakPolarHBondContact O-CB 3.47Å; E285-N289 PolarHBondContact O-N 3.18Å; E285-N289 PolarHBondContact O-ND2 2.78Å; E286-N289 PolarHBondContact O-N 3.43Å; W287-N289 PolarHBondContact O-N 3.12Å; N289-K292 PolarHBondContact O-NZ 2.78Å
290	N	97.6	Very high	96.2	Very high	79 Å²	79	56.8 Å²	56.8	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-105.3	-17.7	-169.9	-69.3	-65.3	0	0	0	115.3	F236 E286 W287 K292	F236-N290 HydrophobicContact CE1-CB 3.87Å; F236-N290 HydrophobicContact CZ-CB 3.85Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.25Å; E286-N290 WeakPolarHBondContact O-CB 3.38Å; E286-N290 PolarHBondContact O-N 3.06Å; E286-N290 PolarHBondContact O-ND2 3.07Å; W287-N290 PolarHBondContact O-N 3.04Å; N290-K292 VanDerWaalsContact O-CE 3.31Å; N290-K292 WeakPolarHBondContact O-CE 3.36Å
291	V	97.8	Very high	96.2	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	25%	0.247	C	C	.	.			trans	-58.9	141.1	168.9	-68.8	0	0	0	0	111.3	Y232 F236 V249 W287	Y232-V291 HydrophobicContact CD1-CG2 4.35Å; Y232-V291 HydrophobicContact CG-CG2 4.43Å; F236-V291 HydrophobicContact CE2-CG1 4.27Å; F236-V291 HydrophobicContact CZ-CG1 4.48Å; V249-V291 HydrophobicContact CB-CG1 4.17Å; V249-V291 HydrophobicContact CG1-CG1 3.93Å; W287-V291 WeakPolarHBondContact O-CG1 3.48Å; W287-V291 WeakPolarHBondContact O-CG2 3.36Å; W287-V291 PolarHBondContact O-N 2.88Å; W287-V291 VanDerWaalsContact O-N 3.09Å
292	K	97.6	Very high	96.3	Very high	119 Å²	119	51.8 Å²	51.8	52%	0.517	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.3	-177.7	-56.7	-58.1	170.7	-152.2	0	111	Y233 N289 N290 Q294	Y233-K292 PolarHBondContact N-O 3.48Å; Y233-K292 PolarHBondContact O-N 3.36Å; N289-K292 PolarHBondContact O-NZ 2.78Å; N290-K292 VanDerWaalsContact O-CE 3.31Å; N290-K292 WeakPolarHBondContact O-CE 3.36Å; K292-Q294 PolarHBondContact O-N 2.87Å; K292-Q294 PolarHBondContact O-NE2 3.18Å
293	R	96.6	Very high	96.2	Very high	145 Å²	145	47.5 Å²	47.5	55%	0.547	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.6	177	-171.2	174.2	178.2	-172.9	-2.8	110.3	D230 F231 Y232	D230-R293 HydrophobicContact CB-CG 4.42Å; F231-R293 CarbonylContact O-C 3.52Å; F231-R293 VanDerWaalsContact O-CA 3.26Å; F231-R293 WeakPolarHBondContact O-CA 3.35Å; Y232-R293 HydrophobicContact CD1-CB 4.18Å; Y232-R293 HydrophobicContact CE1-CB 4.01Å
294	Q	94.3	Very high	96	Very high	67 Å²	67	48.9 Å²	48.9	31%	0.313	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	169.5	-178.7	64.7	-163.7	-69.7	0	0	111.4	D230 F231 Y233 K292 V296	D230-Q294 WeakPolarHBondContact CA-O 3.21Å; F231-Q294 PolarHBondContact N-O 2.96Å; F231-Q294 PolarHBondContact O-N 2.8Å; F231-Q294 VanDerWaalsContact O-O 3.09Å; Y233-Q294 PolarHBondContact O-NE2 3.33Å; K292-Q294 PolarHBondContact O-N 2.87Å; K292-Q294 PolarHBondContact O-NE2 3.18Å; Q294-V296 HydrophobicContact CG-CG2 4.02Å; Q294-V296 PolarHBondContact O-N 3.45Å
295	K	94.6	Very high	95.8	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.5	175.1	-71.5	-165.2	174	-154.4	0	111.4	G229 D230	G229-K295 WeakPolarHBondContact O-CA 3.48Å; D230-K295 WeakPolarHBondContact OD1-CG 3.31Å
296	V	96.5	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.8	179.1	-171.1	0	0	0	0	109.7	Q228 G229 F231 Y233 L250 Q294 V298 Q376 V378	Q228-V296 WeakPolarHBondContact CA-O 3.23Å; G229-V296 PolarHBondContact N-O 2.92Å; G229-V296 VanDerWaalsContact N-O 3.16Å; G229-V296 PolarHBondContact O-N 3.22Å; F231-V296 HydrophobicContact CB-CB 4.46Å; F231-V296 HydrophobicContact CB-CG2 4.25Å; F231-V296 HydrophobicContact CD2-CB 4.13Å; Y233-V296 HydrophobicContact CG-CG2 4.26Å; L250-V296 HydrophobicContact CD1-CG1 4.24Å; Q294-V296 HydrophobicContact CG-CG2 4.02Å; Q294-V296 PolarHBondContact O-N 3.45Å; V296-V298 HydrophobicContact CB-CG2 4.29Å; V296-V298 HydrophobicContact CG1-CG2 3.99Å; V296-Q376 CarbonylContact C-O 3.6Å; V296-Q376 WeakPolarHBondContact CA-O 3.46Å; V296-Q376 HydrophobicContact CG1-CB 4.47Å; V296-Q376 WeakPolarHBondContact CG1-O 3.46Å; V296-V378 HydrophobicContact CG1-CB 4.37Å; V296-V378 HydrophobicContact CG1-CG2 3.84Å
297	E	97.4	Very high	95.6	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.8	164.5	-70.2	176.1	-161.9	0	0	108.7	Y226 Q228 Y299 N375 Q376 Q377 V378	Y226-E297 HydrophobicContact CE2-CB 4.35Å; Q228-E297 HydrophobicContact CB-CG 4.41Å; Q228-E297 HydrophobicContact CG-CG 4.09Å; E297-Y299 HydrophobicContact CB-CE2 4.34Å; E297-N375 HydrophobicContact CG-CB 4.35Å; E297-N375 PolarHBondContact OE1-ND2 2.88Å; E297-Q376 PolarHBondContact N-O 3.1Å; E297-Q377 HydrophobicContact CB-CB 4.44Å; E297-Q377 HydrophobicContact CB-CG 4.31Å; E297-Q377 WeakPolarHBondContact O-CA 3.27Å; E297-Q377 PolarHBondContact OE2-NE2 2.89Å; E297-V378 PolarHBondContact O-N 3.43Å
298	V	98.4	Very high	95.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.5	-174.3	-178.6	0	0	0	0	109.2	F202 Y226 Q227 F231 L250 M252 V296 L300	F202-V298 HydrophobicContact CE1-CG1 4.33Å; F202-V298 HydrophobicContact CZ-CG1 4.18Å; Y226-V298 WeakPolarHBondContact CA-O 3.32Å; Q227-V298 PolarHBondContact N-O 3.29Å; Q227-V298 VanDerWaalsContact N-O 3.12Å; Q227-V298 PolarHBondContact O-N 2.9Å; F231-V298 HydrophobicContact CD2-CG2 3.7Å; F231-V298 HydrophobicContact CE2-CG2 3.69Å; F231-V298 HydrophobicContact CG-CG2 4.41Å; F231-V298 HydrophobicContact CZ-CG2 4.42Å; L250-V298 HydrophobicContact CD1-CG2 4.21Å; L250-V298 HydrophobicContact CD2-CB 4.35Å; L250-V298 HydrophobicContact CD2-CG1 3.69Å; L250-V298 HydrophobicContact CD2-CG2 3.71Å; M252-V298 HydrophobicContact CE-CG1 4.46Å; M252-V298 HydrophobicContact SD-CG1 3.91Å; V296-V298 HydrophobicContact CB-CG2 4.29Å; V296-V298 HydrophobicContact CG1-CG2 3.99Å; V298-L300 HydrophobicContact CG1-CB 4.3Å
299	Y	98.2	Very high	95.4	Very high	40 Å²	40	47.7 Å²	47.7	16%	0.157	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.1	166.7	-55.8	-106.1	0	0	0	107.6	F210 M224 M225 Y226 E297 Q377 V378 M379 A380	F210-Y299 HydrophobicContact CE1-CD1 4.3Å; F210-Y299 HydrophobicContact CE1-CE1 4.48Å; F210-Y299 HydrophobicContact CZ-CD1 4.17Å; F210-Y299 HydrophobicContact CZ-CE1 4.14Å; M224-Y299 HydrophobicContact CG-CD1 4.2Å; M225-Y299 WeakPolarHBondContact O-CA 3.17Å; Y226-Y299 AromaticContact CD2-CD1 3.74Å; Y226-Y299 HydrophobicContact CD2-CD1 3.74Å; Y226-Y299 HydrophobicContact CD2-CD2 4.15Å; Y226-Y299 AromaticContact CD2-CE1 3.36Å; Y226-Y299 HydrophobicContact CD2-CE1 3.36Å; Y226-Y299 AromaticContact CD2-CE2 3.79Å; Y226-Y299 HydrophobicContact CD2-CE2 3.79Å; Y226-Y299 HydrophobicContact CD2-CG 4.12Å; Y226-Y299 AromaticContact CD2-CZ 3.39Å; Y226-Y299 AromaticContact CE2-CE1 3.92Å; Y226-Y299 HydrophobicContact CE2-CE1 3.92Å; Y226-Y299 AromaticContact CE2-CE2 3.79Å; Y226-Y299 HydrophobicContact CE2-CE2 3.79Å; Y226-Y299 AromaticContact CE2-CZ 3.45Å; Y226-Y299 VanDerWaalsContact CE2-CZ 3.45Å; Y226-Y299 WeakPolarHBondContact CE2-OH 3.11Å; Y226-Y299 HydrophobicContact CG-CD1 4.41Å; Y226-Y299 HydrophobicContact CG-CE1 4.11Å; E297-Y299 HydrophobicContact CB-CE2 4.34Å; Y299-Q377 HydrophobicContact CD2-CG 4.15Å; Y299-Q377 HydrophobicContact CE2-CG 3.84Å; Y299-V378 PolarHBondContact N-O 3.24Å; Y299-M379 HydrophobicContact CD2-CB 4.18Å; Y299-M379 HydrophobicContact CD2-CG 4.41Å; Y299-M379 HydrophobicContact CG-CB 4.42Å; Y299-M379 HydrophobicContact CG-CG 4.21Å; Y299-A380 PolarHBondContact O-N 3.37Å
300	L	98.1	Very high	95.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.6	-177.1	-175.6	64	0	0	0	109.1	W198 F202 M224 M225 M252 I263 V298 R302 V352 A380 F384	W198-L300 HydrophobicContact CZ2-CD2 4.26Å; F202-L300 HydrophobicContact CE1-CB 4.4Å; F202-L300 HydrophobicContact CE2-CD2 4.45Å; F202-L300 HydrophobicContact CZ-CB 3.99Å; F202-L300 HydrophobicContact CZ-CD2 4.19Å; M224-L300 PolarHBondContact SD-N 3.4Å; M225-L300 WeakPolarHBondContact CA-O 3.5Å; M225-L300 VanDerWaalsContact CB-O 3.29Å; M225-L300 WeakPolarHBondContact CB-O 3.33Å; M225-L300 HydrophobicContact CE-CB 4.18Å; M225-L300 HydrophobicContact CE-CD2 4.04Å; M225-L300 HydrophobicContact CE-CG 4.12Å; M225-L300 PolarHBondContact N-O 3.22Å; M225-L300 PolarHBondContact O-N 3.23Å; M252-L300 HydrophobicContact SD-CD2 4.32Å; I263-L300 HydrophobicContact CD1-CD1 3.43Å; I263-L300 VanDerWaalsContact CD1-CD1 3.43Å; I263-L300 HydrophobicContact CD1-CD2 4.16Å; I263-L300 HydrophobicContact CD1-CG 4.43Å; V298-L300 HydrophobicContact CG1-CB 4.3Å; L300-R302 PolarHBondContact O-N 2.81Å; L300-V352 HydrophobicContact CD2-CG1 4.05Å; L300-A380 HydrophobicContact CD1-CB 4.15Å; L300-F384 HydrophobicContact CD1-CZ 4.42Å
301	P	96.7	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.2	173.2	-26	35.5	0	0	0	110.8	F212 T222 L223 M224 F303 A380 F384 P405	F212-P301 HydrophobicContact CD2-CG 4.23Å; F212-P301 HydrophobicContact CE2-CG 4.39Å; T222-P301 HydrophobicContact CG2-CB 4.2Å; T222-P301 HydrophobicContact CG2-CG 4.3Å; L223-P301 CarbonylContact O-C 3.56Å; L223-P301 WeakPolarHBondContact O-CA 3.25Å; M224-P301 HydrophobicContact CE-CG 3.87Å; M224-P301 HydrophobicContact SD-CG 4.09Å; M224-P301 VanDerWaalsContact SD-N 3.43Å; P301-F303 HydrophobicContact CB-CD1 4.28Å; P301-F303 VanDerWaalsContact O-CD1 3.25Å; P301-F303 WeakPolarHBondContact O-CD1 3.23Å; P301-A380 VanDerWaalsContact CD-O 3.25Å; P301-A380 WeakPolarHBondContact CD-O 3.49Å; P301-A380 VanDerWaalsContact CG-O 3.23Å; P301-A380 WeakPolarHBondContact CG-O 3.35Å; P301-F384 HydrophobicContact CG-CE1 4.5Å; P301-P405 HydrophobicContact CB-CB 3.98Å; P301-P405 HydrophobicContact CB-CG 4.35Å
302	R	94.2	Very high	95	Very high	36 Å²	36	45.7 Å²	45.7	14%	0.136	20%	0.198	C	C	.	.			trans	-72.8	121.8	154.9	-177.9	-167.4	-71.4	-176.6	-4.1	106.4	L223 M225 L300 V352 E354 V408	L223-R302 HydrophobicContact CB-CB 4.25Å; L223-R302 PolarHBondContact O-N 3.44Å; M225-R302 HydrophobicContact CG-CB 4.04Å; M225-R302 HydrophobicContact SD-CB 4.09Å; L300-R302 PolarHBondContact O-N 2.81Å; R302-V352 WeakPolarHBondContact CA-O 3.23Å; R302-V352 WeakPolarHBondContact CG-O 3.46Å; R302-E354 IonicContact CZ-OE1 2.93Å; R302-E354 IonicContact CZ-OE2 3.19Å; R302-E354 IonicContact NE-OE1 3.28Å; R302-E354 PolarHBondContact NE-OE1 3.03Å; R302-E354 IonicContact NE-OE2 3.63Å; R302-E354 PolarHBondContact NE-OE2 3.37Å; R302-E354 IonicContact NH2-OE1 2.74Å; R302-E354 PolarHBondContact NH2-OE1 2.61Å; R302-E354 IonicContact NH2-OE2 3.75Å; R302-E354 PolarHBondContact NH2-OE2 3.01Å; R302-V408 HydrophobicContact CG-CB 4.15Å
303	F	92.9	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.6	-177.7	69.7	-89.1	0	0	0	112.7	P301 V305 L350 V352 F384 V402 P405 E406	P301-F303 HydrophobicContact CB-CD1 4.28Å; P301-F303 VanDerWaalsContact O-CD1 3.25Å; P301-F303 WeakPolarHBondContact O-CD1 3.23Å; F303-V305 HydrophobicContact CD2-CB 4.37Å; F303-V305 HydrophobicContact CD2-CG1 4.29Å; F303-V305 HydrophobicContact CE2-CB 4.46Å; F303-V305 HydrophobicContact CE2-CG1 3.94Å; F303-L350 HydrophobicContact CE2-CD2 4.33Å; F303-V352 HydrophobicContact CD1-CB 4.01Å; F303-V352 HydrophobicContact CD1-CG1 4.34Å; F303-V352 HydrophobicContact CD1-CG2 4.43Å; F303-V352 HydrophobicContact CE1-CB 3.76Å; F303-V352 HydrophobicContact CE1-CG1 3.98Å; F303-V352 HydrophobicContact CE1-CG2 3.78Å; F303-V352 HydrophobicContact CE2-CB 4.5Å; F303-V352 HydrophobicContact CE2-CG2 4.02Å; F303-V352 HydrophobicContact CG-CB 4.46Å; F303-V352 HydrophobicContact CZ-CB 4.04Å; F303-V352 HydrophobicContact CZ-CG2 3.54Å; F303-V352 PolarHBondContact N-O 2.89Å; F303-V352 VanDerWaalsContact N-O 3.15Å; F303-V352 PolarHBondContact O-N 3.5Å; F303-F384 HydrophobicContact CD1-CZ 4.42Å; F303-F384 HydrophobicContact CE1-CE2 4.38Å; F303-F384 AromaticContact CE1-CZ 3.86Å; F303-F384 HydrophobicContact CE1-CZ 3.86Å; F303-F384 HydrophobicContact CZ-CE2 4.33Å; F303-F384 HydrophobicContact CZ-CZ 4.16Å; F303-V402 HydrophobicContact CD2-CG2 4.08Å; F303-V402 HydrophobicContact CE2-CG2 3.69Å; F303-V402 HydrophobicContact CZ-CG2 3.97Å; F303-P405 HydrophobicContact CB-CB 3.83Å; F303-E406 WeakPolarHBondContact CA-O 3.15Å
304	K	90.8	Very high	94.6	Very high	50 Å²	50	37.5 Å²	37.5	22%	0.217	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145	163.8	-166.5	-168.8	95.2	171.3	0	108.2	E306 Y349 L350 E406 V408	K304-E306 WeakPolarHBondContact CE-OE1 3.43Å; K304-E306 IonicContact NZ-OE1 2.68Å; K304-E306 PolarHBondContact NZ-OE1 3.3Å; K304-Y349 HydrophobicContact CD-CE2 3.6Å; K304-Y349 WeakPolarHBondContact CD-OH 3.39Å; K304-Y349 HydrophobicContact CG-CE1 4.49Å; K304-Y349 HydrophobicContact CG-CE2 3.92Å; K304-L350 WeakPolarHBondContact CA-O 3.39Å; K304-E406 WeakPolarHBondContact CE-OE2 3.45Å; K304-E406 PolarHBondContact N-O 2.82Å; K304-E406 WeakPolarHBondContact O-CB 3.25Å; K304-V408 HydrophobicContact CB-CG2 3.71Å
305	V	91.5	Very high	94.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.7	166.9	63.6	0	0	0	0	108.5	N53 I55 F303 L350 F386	N53-V305 HydrophobicContact CB-CG2 3.74Å; I55-V305 HydrophobicContact CB-CG1 4.08Å; I55-V305 HydrophobicContact CB-CG2 4.06Å; I55-V305 HydrophobicContact CD1-CG1 3.63Å; I55-V305 HydrophobicContact CG1-CG1 4.4Å; I55-V305 HydrophobicContact CG2-CB 4.44Å; I55-V305 HydrophobicContact CG2-CG1 4.19Å; I55-V305 HydrophobicContact CG2-CG2 3.74Å; F303-V305 HydrophobicContact CD2-CB 4.37Å; F303-V305 HydrophobicContact CD2-CG1 4.29Å; F303-V305 HydrophobicContact CE2-CB 4.46Å; F303-V305 HydrophobicContact CE2-CG1 3.94Å; V305-L350 HydrophobicContact CG1-CB 3.92Å; V305-L350 HydrophobicContact CG1-CD2 4.16Å; V305-L350 HydrophobicContact CG1-CG 4.4Å; V305-L350 PolarHBondContact N-O 3.3Å; V305-L350 PolarHBondContact O-N 3.1Å; V305-F386 HydrophobicContact CG1-CZ 4.28Å
306	E	92.1	Very high	94.8	Very high	63 Å²	63	31.6 Å²	31.6	29%	0.294	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.5	172.7	69.1	178.6	132.9	0	0	110	K304 K347 A348 Y349	K304-E306 WeakPolarHBondContact CE-OE1 3.43Å; K304-E306 IonicContact NZ-OE1 2.68Å; K304-E306 PolarHBondContact NZ-OE1 3.3Å; E306-K347 WeakPolarHBondContact OE2-CE 3.29Å; E306-K347 IonicContact OE2-NZ 2.81Å; E306-K347 PolarHBondContact OE2-NZ 3.49Å; E306-A348 WeakPolarHBondContact CA-O 3.48Å; E306-Y349 HydrophobicContact CB-CD2 3.92Å
307	Q	93.8	Very high	94.7	Very high	35 Å²	35	35.8 Å²	35.8	16%	0.164	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	130.8	176.7	-166.7	176.6	20.3	0	0	110.2	I54 I55 I309 K347 A348	I54-Q307 VanDerWaalsContact CA-OE1 3.3Å; I55-Q307 HydrophobicContact CG2-CB 3.69Å; I55-Q307 PolarHBondContact O-OE1 2.87Å; Q307-I309 HydrophobicContact CG-CG1 4.02Å; Q307-K347 VanDerWaalsContact O-CA 3.31Å; Q307-K347 WeakPolarHBondContact O-CA 3.25Å; Q307-A348 PolarHBondContact N-O 3.38Å; Q307-A348 PolarHBondContact O-N 2.92Å
308	K	94.9	Very high	94.6	Very high	88 Å²	88	34.7 Å²	34.7	38%	0.383	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.9	165.8	177.4	-176.4	171.2	174.4	0	108.2	L174 D179 V345 Q346 K347	L174-K308 HydrophobicContact CD1-CG 4.41Å; L174-K308 VanDerWaalsContact O-CD 3.31Å; L174-K308 WeakPolarHBondContact O-CD 3.47Å; L174-K308 WeakPolarHBondContact O-CE 3.43Å; L174-K308 PolarHBondContact O-NZ 3.41Å; D179-K308 IonicContact OD1-NZ 2.96Å; D179-K308 PolarHBondContact OD1-NZ 3.36Å; D179-K308 IonicContact OD2-NZ 3.16Å; D179-K308 PolarHBondContact OD2-NZ 3.47Å; K308-V345 HydrophobicContact CD-CG2 4.28Å; K308-V345 HydrophobicContact CG-CG2 3.7Å; K308-Q346 CarbonylContact C-O 3.55Å; K308-Q346 WeakPolarHBondContact CA-O 3.34Å; K308-K347 HydrophobicContact CB-CD 4.47Å
309	I	94.1	Very high	94.5	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.7	-179.4	-63.4	167.2	0	0	0	108.3	L45 F56 Q307 L311 I314 V345 Q346	L45-I309 HydrophobicContact CD1-CD1 3.73Å; L45-I309 HydrophobicContact CD2-CD1 3.81Å; L45-I309 HydrophobicContact CD2-CG1 4.02Å; L45-I309 HydrophobicContact CD2-CG2 3.72Å; L45-I309 HydrophobicContact CG-CD1 4.44Å; F56-I309 HydrophobicContact CB-CD1 3.45Å; F56-I309 VanDerWaalsContact CB-CD1 3.45Å; F56-I309 HydrophobicContact CG-CD1 4.48Å; Q307-I309 HydrophobicContact CG-CG1 4.02Å; I309-L311 HydrophobicContact CG2-CD2 4.01Å; I309-L311 PolarHBondContact O-N 2.97Å; I309-I314 HydrophobicContact CG2-CG1 4.3Å; I309-V345 WeakPolarHBondContact O-CA 3.34Å; I309-V345 WeakPolarHBondContact O-CG2 3.44Å; I309-Q346 PolarHBondContact N-O 3.21Å; I309-Q346 PolarHBondContact O-N 3.09Å
310	D	93.5	Very high	94.5	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	104.5	163	-163.4	-43.7	0	0	0	108.3	R312 K343	D310-R312 PolarHBondContact O-N 2.78Å; D310-R312 VanDerWaalsContact OD1-CB 3.22Å; D310-R312 WeakPolarHBondContact OD1-CB 3.27Å; D310-R312 PolarHBondContact OD1-N 3.41Å; D310-K343 IonicContact OD2-NZ 3.52Å; D310-K343 PolarHBondContact OD2-NZ 3.19Å
311	L	95.1	Very high	94.5	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-21.8	-175.7	-70.2	176.5	0	0	0	111.7	V61 I309 T313 I314 L315 A344 Q346	V61-L311 HydrophobicContact CG2-CD1 4.36Å; V61-L311 HydrophobicContact CG2-CD2 3.93Å; I309-L311 HydrophobicContact CG2-CD2 4.01Å; I309-L311 PolarHBondContact O-N 2.97Å; L311-T313 PolarHBondContact O-N 3.44Å; L311-I314 PolarHBondContact O-N 3.28Å; L311-L315 HydrophobicContact CB-CD1 3.82Å; L311-L315 HydrophobicContact CB-CG 4.25Å; L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.4Å; L311-L315 WeakPolarHBondContact O-CG 3.29Å; L311-L315 PolarHBondContact O-N 2.95Å; L311-A344 HydrophobicContact CB-CB 3.97Å; L311-A344 PolarHBondContact N-O 2.84Å; L311-Q346 HydrophobicContact CD1-CB 3.94Å; L311-Q346 HydrophobicContact CD2-CB 3.99Å; L311-Q346 HydrophobicContact CG-CB 3.98Å
312	R	94.3	Very high	94.5	Very high	80 Å²	80	39.9 Å²	39.9	30%	0.302	20%	0.204	S	C	.	.	H	α-helix	trans	-58.3	-54.7	-172.6	-179	176	-174.7	-179.2	5.1	111.8	D310 I314 L315 Q316 F324 G342	D310-R312 PolarHBondContact O-N 2.78Å; D310-R312 VanDerWaalsContact OD1-CB 3.22Å; D310-R312 WeakPolarHBondContact OD1-CB 3.27Å; D310-R312 PolarHBondContact OD1-N 3.41Å; R312-I314 PolarHBondContact O-N 3Å; R312-L315 PolarHBondContact O-N 2.91Å; R312-Q316 WeakPolarHBondContact O-CB 3.44Å; R312-Q316 WeakPolarHBondContact O-CG 3.42Å; R312-Q316 PolarHBondContact O-N 3.49Å; R312-F324 HydrophobicContact CB-CD1 4.29Å; R312-F324 HydrophobicContact CB-CE1 4.19Å; R312-F324 HydrophobicContact CG-CB 4.22Å; R312-F324 HydrophobicContact CG-CD1 3.7Å; R312-F324 HydrophobicContact CG-CD2 4.3Å; R312-F324 HydrophobicContact CG-CE1 4.07Å; R312-F324 HydrophobicContact CG-CG 3.82Å; R312-F324 PolarHBondContact NH2-O 2.85Å; R312-G342 PolarHBondContact NH1-O 2.91Å
313	T	91.1	Very high	94.7	Very high	78 Å²	78	38.2 Å²	38.2	48%	0.479	20%	0.197	S	C	.	.	H	α-helix	trans	-65	-42.4	-177.6	-55.4	0	0	0	0	111.2	L311 L315 Q316 D317	L311-T313 PolarHBondContact O-N 3.44Å; T313-L315 PolarHBondContact O-N 2.83Å; T313-Q316 PolarHBondContact O-N 3.07Å; T313-D317 PolarHBondContact O-N 3.31Å
314	I	94.2	Very high	94.9	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-44.5	-179.7	-59	-60	0	0	0	111.3	L41 R44 L45 I309 L311 R312 D317 L318	L41-I314 HydrophobicContact CD2-CG2 3.6Å; R44-I314 HydrophobicContact CB-CD1 4.19Å; R44-I314 HydrophobicContact CB-CG2 3.93Å; L45-I314 HydrophobicContact CD2-CD1 4.02Å; L45-I314 HydrophobicContact CD2-CG1 4.05Å; I309-I314 HydrophobicContact CG2-CG1 4.3Å; L311-I314 PolarHBondContact O-N 3.28Å; R312-I314 PolarHBondContact O-N 3Å; I314-D317 PolarHBondContact O-N 2.73Å; I314-L318 HydrophobicContact CG2-CD1 4.41Å; I314-L318 WeakPolarHBondContact O-CG 3.45Å; I314-L318 PolarHBondContact O-N 3.04Å
315	L	96.4	Very high	95.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-70.2	-35.3	179.8	-66.8	173.9	0	0	0	111.9	F37 L41 V61 L65 L311 R312 T313 L318 G319 I320 F324	F37-L315 HydrophobicContact CE2-CD2 4.47Å; F37-L315 HydrophobicContact CZ-CD2 4.19Å; L41-L315 HydrophobicContact CD2-CD2 4.45Å; V61-L315 HydrophobicContact CG1-CD2 4.34Å; L65-L315 HydrophobicContact CD1-CD2 3.94Å; L65-L315 HydrophobicContact CD2-CD1 3.98Å; L311-L315 HydrophobicContact CB-CD1 3.82Å; L311-L315 HydrophobicContact CB-CG 4.25Å; L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.4Å; L311-L315 WeakPolarHBondContact O-CG 3.29Å; L311-L315 PolarHBondContact O-N 2.95Å; R312-L315 PolarHBondContact O-N 2.91Å; T313-L315 PolarHBondContact O-N 2.83Å; L315-L318 CarbonylContact O-C 3.48Å; L315-L318 WeakPolarHBondContact O-CA 3.42Å; L315-L318 PolarHBondContact O-N 3.13Å; L315-L318 VanDerWaalsContact O-N 3.08Å; L315-G319 PolarHBondContact O-N 2.61Å; L315-I320 CarbonylContact C-O 3.59Å; L315-I320 HydrophobicContact CB-CB 4.21Å; L315-I320 HydrophobicContact CB-CD1 4.38Å; L315-I320 HydrophobicContact CD2-CD1 3.97Å; L315-I320 PolarHBondContact O-N 3.18Å; L315-F324 HydrophobicContact CB-CE2 3.86Å; L315-F324 HydrophobicContact CB-CZ 4.07Å; L315-F324 HydrophobicContact CD1-CE2 4.41Å; L315-F324 HydrophobicContact CD1-CZ 3.82Å
316	Q	96.1	Very high	95.2	Very high	60 Å²	60	43.4 Å²	43.4	28%	0.28	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-44.4	172	-75.7	177.1	-39.5	0	0	111.9	R312 T313 L318 G319 I320 T321 F324	R312-Q316 WeakPolarHBondContact O-CB 3.44Å; R312-Q316 WeakPolarHBondContact O-CG 3.42Å; R312-Q316 PolarHBondContact O-N 3.49Å; T313-Q316 PolarHBondContact O-N 3.07Å; Q316-L318 PolarHBondContact O-N 3.22Å; Q316-G319 PolarHBondContact O-N 2.88Å; Q316-I320 VanDerWaalsContact CA-O 3.26Å; Q316-I320 WeakPolarHBondContact CA-O 3.26Å; Q316-I320 WeakPolarHBondContact CG-O 3.16Å; Q316-I320 PolarHBondContact N-O 2.92Å; Q316-T321 HydrophobicContact CB-CG2 4.4Å; Q316-T321 HydrophobicContact CG-CG2 4.43Å; Q316-F324 HydrophobicContact CG-CD2 3.73Å; Q316-F324 HydrophobicContact CG-CE2 4.26Å
317	D	94.8	Very high	95.3	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-16	175.9	-72.4	-16.8	0	0	0	113.4	R44 T313 I314	R44-D317 PolarHBondContact NE-O 2.94Å; R44-D317 PolarHBondContact NH2-O 2.87Å; T313-D317 PolarHBondContact O-N 3.31Å; I314-D317 PolarHBondContact O-N 2.73Å
318	L	95.4	Very high	95.5	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.089	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.8	174.1	-66.7	177.6	0	0	0	113.5	F37 R40 L41 R44 A83 I314 L315 Q316	F37-L318 HydrophobicContact CE2-CD1 4Å; R40-L318 HydrophobicContact CB-CD2 3.76Å; L41-L318 HydrophobicContact CD2-CD1 3.5Å; L41-L318 HydrophobicContact CG-CD1 3.85Å; R44-L318 HydrophobicContact CG-CD1 4.5Å; R44-L318 HydrophobicContact CG-CD2 3.73Å; R44-L318 HydrophobicContact CG-CG 4.01Å; A83-L318 WeakPolarHBondContact CB-O 3.23Å; I314-L318 HydrophobicContact CG2-CD1 4.41Å; I314-L318 WeakPolarHBondContact O-CG 3.45Å; I314-L318 PolarHBondContact O-N 3.04Å; L315-L318 CarbonylContact O-C 3.48Å; L315-L318 WeakPolarHBondContact O-CA 3.42Å; L315-L318 PolarHBondContact O-N 3.13Å; L315-L318 VanDerWaalsContact O-N 3.08Å; Q316-L318 PolarHBondContact O-N 3.22Å
319	G	96.6	Very high	95.6	Very high	39 Å²	39	43.2 Å²	43.2	40%	0.402	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-2	174.7	0	0	0	0	0	115	E79 L315 Q316 T321	E79-G319 WeakPolarHBondContact CG-O 3.2Å; L315-G319 PolarHBondContact O-N 2.61Å; Q316-G319 PolarHBondContact O-N 2.88Å; G319-T321 PolarHBondContact O-N 2.73Å
320	I	98.1	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.			trans	-91.3	94.9	177	-57.4	165	0	0	0	108.5	L65 I80 A83 L315 Q316 I323 F324	L65-I320 HydrophobicContact CD1-CD1 3.91Å; L65-I320 HydrophobicContact CD2-CD1 4.19Å; I80-I320 HydrophobicContact CG1-CG2 4.13Å; A83-I320 HydrophobicContact CB-CD1 3.57Å; A83-I320 HydrophobicContact CB-CG1 3.44Å; A83-I320 VanDerWaalsContact CB-CG1 3.44Å; L315-I320 CarbonylContact C-O 3.59Å; L315-I320 HydrophobicContact CB-CB 4.21Å; L315-I320 HydrophobicContact CB-CD1 4.38Å; L315-I320 HydrophobicContact CD2-CD1 3.97Å; L315-I320 PolarHBondContact O-N 3.18Å; Q316-I320 VanDerWaalsContact CA-O 3.26Å; Q316-I320 WeakPolarHBondContact CA-O 3.26Å; Q316-I320 WeakPolarHBondContact CG-O 3.16Å; Q316-I320 PolarHBondContact N-O 2.92Å; I320-I323 HydrophobicContact CG2-CD1 3.29Å; I320-I323 HydrophobicContact CG2-CG1 3.65Å; I320-F324 HydrophobicContact CG2-CE2 4.02Å; I320-F324 VanDerWaalsContact O-CD2 3.3Å; I320-F324 WeakPolarHBondContact O-CD2 3.36Å; I320-F324 VanDerWaalsContact O-CE2 3.27Å; I320-F324 WeakPolarHBondContact O-CE2 3.47Å
321	T	97.9	Very high	95.8	Very high	50 Å²	50	43.3 Å²	43.3	31%	0.307	24%	0.244	S	C	.	.			trans	-115.8	-39.9	-172.3	68.8	0	0	0	0	113.6	E79 Q316 G319 I323 F324	E79-T321 PolarHBondContact OE1-OG1 3.02Å; E79-T321 PolarHBondContact OE2-N 3Å; E79-T321 PolarHBondContact OE2-OG1 3.42Å; Q316-T321 HydrophobicContact CB-CG2 4.4Å; Q316-T321 HydrophobicContact CG-CG2 4.43Å; G319-T321 PolarHBondContact O-N 2.73Å; T321-I323 PolarHBondContact O-N 3.17Å; T321-F324 PolarHBondContact O-N 3.24Å
322	K	97.7	Very high	95.9	Very high	62 Å²	62	43.7 Å²	43.7	27%	0.27	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65.7	-41.4	-168.4	-68	-75.3	168.9	-178.6	0	112.7	S76 E79 F324 T325 D327 A328	S76-K322 WeakPolarHBondContact OG-CB 3.49Å; E79-K322 VanDerWaalsContact OE1-CG 3.23Å; E79-K322 WeakPolarHBondContact OE1-CG 3.41Å; E79-K322 WeakPolarHBondContact OE2-CG 3.35Å; E79-K322 PolarHBondContact OE2-N 2.79Å; K322-F324 PolarHBondContact O-N 2.85Å; K322-T325 PolarHBondContact O-N 3.16Å; K322-T325 PolarHBondContact O-OG1 3.29Å; K322-D327 HydrophobicContact CD-CB 3.5Å; K322-D327 IonicContact NZ-OD2 3.67Å; K322-D327 PolarHBondContact NZ-OD2 2.88Å; K322-A328 VanDerWaalsContact O-CA 3.31Å; K322-A328 WeakPolarHBondContact O-CA 3.44Å; K322-A328 VanDerWaalsContact O-CB 3.29Å; K322-A328 WeakPolarHBondContact O-CB 3.09Å; K322-A328 PolarHBondContact O-N 2.56Å
323	I	97.5	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.2	-12.9	179.8	67.3	179.1	0	0	0	114.1	V68 I80 I320 T321 L330 I341	V68-I323 HydrophobicContact CG1-CD1 4.15Å; V68-I323 HydrophobicContact CG1-CG2 4.32Å; I80-I323 HydrophobicContact CD1-CD1 4.31Å; I80-I323 HydrophobicContact CD1-CG2 4.05Å; I80-I323 HydrophobicContact CG1-CD1 4.38Å; I320-I323 HydrophobicContact CG2-CD1 3.29Å; I320-I323 HydrophobicContact CG2-CG1 3.65Å; T321-I323 PolarHBondContact O-N 3.17Å; I323-L330 HydrophobicContact CG2-CD2 4.24Å; I323-I341 HydrophobicContact CB-CD1 4.3Å; I323-I341 HydrophobicContact CD1-CD1 3.91Å; I323-I341 HydrophobicContact CG1-CD1 4.24Å; I323-I341 WeakPolarHBondContact O-CB 3.42Å; I323-I341 PolarHBondContact O-N 2.86Å
324	F	97.1	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-104.1	7.1	-180	-59.1	-64.2	0	0	0	113.9	R312 L315 Q316 I320 T321 K322 I341 A344	R312-F324 HydrophobicContact CB-CD1 4.29Å; R312-F324 HydrophobicContact CB-CE1 4.19Å; R312-F324 HydrophobicContact CG-CB 4.22Å; R312-F324 HydrophobicContact CG-CD1 3.7Å; R312-F324 HydrophobicContact CG-CD2 4.3Å; R312-F324 HydrophobicContact CG-CE1 4.07Å; R312-F324 HydrophobicContact CG-CG 3.82Å; R312-F324 PolarHBondContact NH2-O 2.85Å; L315-F324 HydrophobicContact CB-CE2 3.86Å; L315-F324 HydrophobicContact CB-CZ 4.07Å; L315-F324 HydrophobicContact CD1-CE2 4.41Å; L315-F324 HydrophobicContact CD1-CZ 3.82Å; Q316-F324 HydrophobicContact CG-CD2 3.73Å; Q316-F324 HydrophobicContact CG-CE2 4.26Å; I320-F324 HydrophobicContact CG2-CE2 4.02Å; I320-F324 VanDerWaalsContact O-CD2 3.3Å; I320-F324 WeakPolarHBondContact O-CD2 3.36Å; I320-F324 VanDerWaalsContact O-CE2 3.27Å; I320-F324 WeakPolarHBondContact O-CE2 3.47Å; T321-F324 PolarHBondContact O-N 3.24Å; K322-F324 PolarHBondContact O-N 2.85Å; F324-I341 HydrophobicContact CD1-CB 3.9Å; F324-I341 HydrophobicContact CD1-CG2 4.02Å; F324-I341 HydrophobicContact CE1-CB 4.06Å; F324-I341 HydrophobicContact CE1-CD1 4.49Å; F324-I341 HydrophobicContact CE1-CG2 3.84Å; F324-A344 HydrophobicContact CE1-CB 3.94Å; F324-A344 HydrophobicContact CZ-CB 4.5Å
325	T	95.1	Very high	95.4	Very high	49 Å²	49	41.5 Å²	41.5	30%	0.301	24%	0.24	S	C	.	.	S	Bend	trans	-135.2	173.5	-177.8	74.9	0	0	0	0	111.1	K322 D327 A328 Y340	K322-T325 PolarHBondContact O-N 3.16Å; K322-T325 PolarHBondContact O-OG1 3.29Å; T325-D327 PolarHBondContact O-N 2.84Å; T325-D327 PolarHBondContact OG1-N 3.06Å; T325-A328 VanDerWaalsContact O-CB 3.23Å; T325-A328 WeakPolarHBondContact O-CB 3.29Å; T325-A328 PolarHBondContact O-N 3.02Å; T325-Y340 WeakPolarHBondContact O-CB 3.49Å
326	N	93.4	Very high	94.4	Very high	112 Å²	112	42.5 Å²	42.5	60%	0.599	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-8	175.8	-62.3	-33.5	0	0	0	113.8	Y340	N326-Y340 WeakPolarHBondContact OD1-CD1 3.4Å; N326-Y340 WeakPolarHBondContact OD1-CE1 3.42Å
327	D	94.6	Very high	93.3	Very high	104 Å²	104	48.7 Å²	48.7	56%	0.556	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.7	173.2	-63.3	-22.9	0	0	0	112.4	K322 T325 D329	K322-D327 HydrophobicContact CD-CB 3.5Å; K322-D327 IonicContact NZ-OD2 3.67Å; K322-D327 PolarHBondContact NZ-OD2 2.88Å; T325-D327 PolarHBondContact O-N 2.84Å; T325-D327 PolarHBondContact OG1-N 3.06Å; D327-D329 PolarHBondContact O-N 2.78Å
328	A	97.3	Very high	92.8	Very high	17 Å²	17	50.5 Å²	50.5	14%	0.14	29%	0.285	C	S	.	.			trans	-60	130.1	178.7	0	0	0	0	0	111	K322 T325 L330 L339	K322-A328 VanDerWaalsContact O-CA 3.31Å; K322-A328 WeakPolarHBondContact O-CA 3.44Å; K322-A328 VanDerWaalsContact O-CB 3.29Å; K322-A328 WeakPolarHBondContact O-CB 3.09Å; K322-A328 PolarHBondContact O-N 2.56Å; T325-A328 VanDerWaalsContact O-CB 3.23Å; T325-A328 WeakPolarHBondContact O-CB 3.29Å; T325-A328 PolarHBondContact O-N 3.02Å; A328-L330 HydrophobicContact CB-CG 4.3Å; A328-L339 WeakPolarHBondContact CB-O 3.33Å
329	D	96.8	Very high	92.8	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	28%	0.283	S	S	.	.			trans	-106.4	84.9	168.3	-172.2	-6.7	0	0	0	108.6	A72 R73 S76 D327 S331	A72-D329 CarbonylContact C-O 3.19Å; A72-D329 VanDerWaalsContact CA-O 3.27Å; A72-D329 WeakPolarHBondContact CA-O 3.43Å; R73-D329 HydrophobicContact CB-CB 4.45Å; R73-D329 WeakPolarHBondContact CB-OD2 3.38Å; R73-D329 PolarHBondContact N-O 3.32Å; S76-D329 PolarHBondContact OG-N 3.47Å; D327-D329 PolarHBondContact O-N 2.78Å; D329-S331 WeakPolarHBondContact OD1-CB 3.36Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 2.95Å
330	L	97.3	Very high	92.8	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.273	C	S	.	.			trans	-102.7	27.1	173.4	-60.5	179.6	0	0	0	111.5	V68 G71 A72 L186 I323 A328 A332 M333 L339 I341	V68-L330 HydrophobicContact CG1-CD2 4.03Å; G71-L330 CarbonylContact O-C 3.47Å; G71-L330 VanDerWaalsContact O-CA 3.26Å; G71-L330 WeakPolarHBondContact O-CA 3.05Å; A72-L330 HydrophobicContact CB-CD2 4.07Å; L186-L330 HydrophobicContact CD2-CD1 3.73Å; I323-L330 HydrophobicContact CG2-CD2 4.24Å; A328-L330 HydrophobicContact CB-CG 4.3Å; L330-A332 PolarHBondContact O-N 2.9Å; L330-A332 VanDerWaalsContact O-N 3.09Å; L330-M333 HydrophobicContact CB-CB 4.36Å; L330-M333 VanDerWaalsContact O-CB 3.28Å; L330-M333 WeakPolarHBondContact O-CB 3.34Å; L330-M333 PolarHBondContact O-N 2.89Å; L330-L339 HydrophobicContact CB-CD2 4.35Å; L330-L339 HydrophobicContact CD1-CG 4.35Å; L330-I341 HydrophobicContact CD1-CG1 4.36Å
331	S	95.9	Very high	92.7	Very high	70 Å²	70	50.3 Å²	50.3	49%	0.49	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.3	-172.8	57.6	0	0	0	0	114.6	D329	D329-S331 WeakPolarHBondContact OD1-CB 3.36Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 2.95Å
332	A	96.1	Very high	92.5	Very high	12 Å²	12	48.7 Å²	48.7	10%	0.099	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.3	174	0	0	0	0	0	113.4	G71 R73 N129 F132 L330	G71-A332 WeakPolarHBondContact O-CB 3.45Å; G71-A332 PolarHBondContact O-N 2.81Å; R73-A332 HydrophobicContact CG-CB 4.27Å; R73-A332 VanDerWaalsContact NH1-CB 3.27Å; N129-A332 WeakPolarHBondContact CB-O 3.44Å; F132-A332 WeakPolarHBondContact CB-O 3.35Å; L330-A332 PolarHBondContact O-N 2.9Å; L330-A332 VanDerWaalsContact O-N 3.09Å
333	M	96.1	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-40	177.2	-170.8	175.9	-69.5	0	0	112	G71 L120 F128 N129 F132 L186 L330 L339	G71-M333 PolarHBondContact O-N 2.79Å; L120-M333 HydrophobicContact CD1-CE 3.74Å; L120-M333 HydrophobicContact CD1-SD 4.22Å; F128-M333 WeakPolarHBondContact CA-O 3.11Å; F128-M333 HydrophobicContact CD1-CG 4Å; F128-M333 HydrophobicContact CE1-CG 4.02Å; F128-M333 HydrophobicContact CE1-SD 4.32Å; N129-M333 PolarHBondContact N-O 3.05Å; F132-M333 HydrophobicContact CD1-CG 4.04Å; F132-M333 HydrophobicContact CD2-CB 4.41Å; F132-M333 HydrophobicContact CD2-CG 4.37Å; F132-M333 HydrophobicContact CE1-CG 3.74Å; F132-M333 HydrophobicContact CE2-CB 4.41Å; F132-M333 HydrophobicContact CE2-CE 4.1Å; F132-M333 HydrophobicContact CE2-CG 4.08Å; F132-M333 HydrophobicContact CG-CG 4.35Å; F132-M333 HydrophobicContact CZ-CE 3.86Å; F132-M333 HydrophobicContact CZ-CG 3.77Å; F132-M333 HydrophobicContact CZ-SD 4.36Å; L186-M333 HydrophobicContact CD1-SD 4.11Å; L186-M333 HydrophobicContact CD2-CE 4.28Å; L186-M333 HydrophobicContact CD2-SD 3.57Å; L186-M333 VanDerWaalsContact CD2-SD 3.57Å; L330-M333 HydrophobicContact CB-CB 4.36Å; L330-M333 VanDerWaalsContact O-CB 3.28Å; L330-M333 WeakPolarHBondContact O-CB 3.34Å; L330-M333 PolarHBondContact O-N 2.89Å; M333-L339 HydrophobicContact SD-CD2 4.32Å
334	S	93	Very high	92.4	Very high	4 Å²	4	47 Å²	47	3%	0.028	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-156.3	159.3	-168.4	175	0	0	0	0	111.5	I126 S127 G336	I126-S334 WeakPolarHBondContact CG2-OG 3.47Å; S127-S334 WeakPolarHBondContact O-CA 3.43Å; S127-S334 VanDerWaalsContact O-CB 3.3Å; S127-S334 WeakPolarHBondContact O-CB 3.45Å; S127-S334 PolarHBondContact O-OG 3.1Å; S334-G336 PolarHBondContact OG-N 2.74Å
335	D	81	Confident	92.4	Very high	122 Å²	122	47 Å²	47	65%	0.652	26%	0.258	S	S	*	.	S	Bend	trans	-78.1	-5	169.4	64.6	-13.3	0	0	0	113.8	S127 K337	S127-D335 PolarHBondContact N-OD1 2.93Å; S127-D335 VanDerWaalsContact O-OD1 3.12Å; D335-K337 PolarHBondContact O-N 3.11Å
336	G	74.2	Confident	92.4	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	24%	0.244	C	C	.	.			trans	-62.2	127.2	177.4	0	0	0	0	0	112.7	S334	S334-G336 PolarHBondContact OG-N 2.74Å
337	K	74.6	Confident	92.6	Very high	190 Å²	190	40.4 Å²	40.4	83%	0.826	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	146.3	168.5	-62.9	-173.7	-173.6	-176.7	0	109.8	D335 L339	D335-K337 PolarHBondContact O-N 3.11Å; K337-L339 VanDerWaalsContact C-N 3.26Å; K337-L339 PolarHBondContact O-N 2.97Å
338	D	84.3	Confident	92.6	Very high	125 Å²	125	35.5 Å²	35.5	67%	0.668	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	34.4	175.7	-46.7	-39.3	0	0	0	113.5	Y340	D338-Y340 WeakPolarHBondContact O-CD1 3.26Å
339	L	95	Very high	92.4	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.19	C	C	.	.			trans	-79.9	123.6	177.9	-173.9	66.7	0	0	0	111.2	L122 R185 L186 A328 L330 M333 K337	L122-L339 HydrophobicContact CD1-CD1 3.73Å; L122-L339 HydrophobicContact CD1-CD2 4.12Å; R185-L339 HydrophobicContact CB-CD1 3.92Å; L186-L339 HydrophobicContact CB-CD1 4Å; L186-L339 HydrophobicContact CD2-CD2 4.41Å; L186-L339 HydrophobicContact CD2-CG 4.34Å; A328-L339 WeakPolarHBondContact CB-O 3.33Å; L330-L339 HydrophobicContact CB-CD2 4.35Å; L330-L339 HydrophobicContact CD1-CG 4.35Å; M333-L339 HydrophobicContact SD-CD2 4.32Å; K337-L339 VanDerWaalsContact C-N 3.26Å; K337-L339 PolarHBondContact O-N 2.97Å
340	Y	95.7	Very high	92.2	Very high	44 Å²	44	32.6 Å²	32.6	17%	0.173	18%	0.175	C	C	.	.			trans	-142.2	161.1	173.7	65.4	-90.6	0	0	0	110.8	L186 T325 N326 D338 G342	L186-Y340 WeakPolarHBondContact CB-O 3.26Å; T325-Y340 WeakPolarHBondContact O-CB 3.49Å; N326-Y340 WeakPolarHBondContact OD1-CD1 3.4Å; N326-Y340 WeakPolarHBondContact OD1-CE1 3.42Å; D338-Y340 WeakPolarHBondContact O-CD1 3.26Å; Y340-G342 PolarHBondContact O-N 3.31Å
341	I	96.4	Very high	91.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.			trans	-75.6	109	177.1	-60	175.4	0	0	0	109	V68 L186 L188 I323 F324 L330 K343 A344	V68-I341 HydrophobicContact CB-CD1 4.48Å; V68-I341 HydrophobicContact CG1-CD1 3.86Å; V68-I341 HydrophobicContact CG2-CD1 3.72Å; L186-I341 HydrophobicContact CD2-CG1 3.76Å; L186-I341 HydrophobicContact CG-CG1 4.28Å; L188-I341 HydrophobicContact CB-CG2 4.41Å; I323-I341 HydrophobicContact CB-CD1 4.3Å; I323-I341 HydrophobicContact CD1-CD1 3.91Å; I323-I341 HydrophobicContact CG1-CD1 4.24Å; I323-I341 WeakPolarHBondContact O-CB 3.42Å; I323-I341 PolarHBondContact O-N 2.86Å; F324-I341 HydrophobicContact CD1-CB 3.9Å; F324-I341 HydrophobicContact CD1-CG2 4.02Å; F324-I341 HydrophobicContact CE1-CB 4.06Å; F324-I341 HydrophobicContact CE1-CD1 4.49Å; F324-I341 HydrophobicContact CE1-CG2 3.84Å; L330-I341 HydrophobicContact CD1-CG1 4.36Å; I341-K343 WeakPolarHBondContact CG2-O 3.46Å; I341-A344 HydrophobicContact CG2-CB 4.07Å
342	G	94.7	Very high	91.7	Very high	15 Å²	15	31.1 Å²	31.1	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-76.8	-34.5	177.5	0	0	0	0	0	112.6	L186 R312 Y340	L186-G342 PolarHBondContact O-N 3.3Å; R312-G342 PolarHBondContact NH1-O 2.91Å; Y340-G342 PolarHBondContact O-N 3.31Å
343	K	95.1	Very high	91.5	Very high	27 Å²	27	32.1 Å²	32.1	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.6	-179.2	-173	68.3	171.9	-174.4	0	110.4	D179 T187 L188 D310 I341	D179-K343 WeakPolarHBondContact OD1-CE 3.09Å; D179-K343 IonicContact OD1-NZ 3.39Å; D179-K343 PolarHBondContact OD1-NZ 2.72Å; T187-K343 CarbonylContact C-O 3.55Å; T187-K343 VanDerWaalsContact CA-O 3.31Å; T187-K343 WeakPolarHBondContact CA-O 3.48Å; T187-K343 HydrophobicContact CG2-CB 3.91Å; T187-K343 HydrophobicContact CG2-CG 4.17Å; L188-K343 PolarHBondContact N-O 3.43Å; D310-K343 IonicContact OD2-NZ 3.52Å; D310-K343 PolarHBondContact OD2-NZ 3.19Å; I341-K343 WeakPolarHBondContact CG2-O 3.46Å
344	A	96.6	Very high	91.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.5	172.7	0	0	0	0	0	108.9	L188 L311 F324 I341	L188-A344 HydrophobicContact CB-CB 4.14Å; L188-A344 HydrophobicContact CD2-CB 4.4Å; L188-A344 WeakPolarHBondContact O-CA 3.43Å; L311-A344 HydrophobicContact CB-CB 3.97Å; L311-A344 PolarHBondContact N-O 2.84Å; F324-A344 HydrophobicContact CE1-CB 3.94Å; F324-A344 HydrophobicContact CZ-CB 4.5Å; I341-A344 HydrophobicContact CG2-CB 4.07Å
345	V	96.5	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.4	-175.7	65.6	0	0	0	0	110.7	L174 L175 L188 V189 N190 K308 I309	L174-V345 HydrophobicContact CD1-CG1 4.46Å; L174-V345 HydrophobicContact CD1-CG2 3.96Å; L174-V345 HydrophobicContact CD2-CG1 4.05Å; L174-V345 HydrophobicContact CG-CG1 4.25Å; L175-V345 HydrophobicContact CD2-CB 4.45Å; L175-V345 HydrophobicContact CD2-CG1 3.98Å; L188-V345 PolarHBondContact O-N 3.49Å; V189-V345 HydrophobicContact CG2-CG1 4.45Å; N190-V345 WeakPolarHBondContact CB-O 3.47Å; N190-V345 PolarHBondContact N-O 2.98Å; K308-V345 HydrophobicContact CD-CG2 4.28Å; K308-V345 HydrophobicContact CG-CG2 3.7Å; I309-V345 WeakPolarHBondContact O-CA 3.34Å; I309-V345 WeakPolarHBondContact O-CG2 3.44Å
346	Q	96.7	Very high	91.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.7	160	175.5	169.8	72.9	0	0	109.8	F56 S57 V61 N190 K308 I309 L311	F56-Q346 VanDerWaalsContact CB-OE1 3.27Å; S57-Q346 VanDerWaalsContact N-OE1 3.15Å; S57-Q346 PolarHBondContact O-NE2 3.22Å; V61-Q346 VanDerWaalsContact CG2-NE2 3.31Å; N190-Q346 HydrophobicContact CB-CB 4.25Å; N190-Q346 CarbonylContact O-C 3.56Å; N190-Q346 WeakPolarHBondContact O-CA 3.41Å; N190-Q346 VanDerWaalsContact OD1-CG 3.25Å; N190-Q346 WeakPolarHBondContact OD1-CG 3.39Å; N190-Q346 PolarHBondContact OD1-NE2 3.09Å; K308-Q346 CarbonylContact C-O 3.55Å; K308-Q346 WeakPolarHBondContact CA-O 3.34Å; I309-Q346 PolarHBondContact N-O 3.21Å; I309-Q346 PolarHBondContact O-N 3.09Å; L311-Q346 HydrophobicContact CD1-CB 3.94Å; L311-Q346 HydrophobicContact CD2-CB 3.99Å; L311-Q346 HydrophobicContact CG-CB 3.98Å
347	K	96.6	Very high	90.6	Very high	24 Å²	24	32.6 Å²	32.6	10%	0.104	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	158.7	-177.8	163.7	173	-179.7	0	110.9	I171 R172 L174 N190 A191 V192 E306 Q307 K308	I171-K347 HydrophobicContact CG2-CB 4.22Å; I171-K347 HydrophobicContact CG2-CD 3.62Å; I171-K347 HydrophobicContact CG2-CG 3.87Å; R172-K347 PolarHBondContact O-NZ 3.06Å; R172-K347 VanDerWaalsContact O-NZ 3.09Å; L174-K347 HydrophobicContact CD1-CB 3.18Å; L174-K347 HydrophobicContact CD1-CD 3.79Å; L174-K347 HydrophobicContact CD1-CG 4.08Å; N190-K347 PolarHBondContact O-N 3.35Å; A191-K347 VanDerWaalsContact CA-O 3.3Å; A191-K347 WeakPolarHBondContact CA-O 3.27Å; V192-K347 PolarHBondContact N-O 3.25Å; E306-K347 WeakPolarHBondContact OE2-CE 3.29Å; E306-K347 IonicContact OE2-NZ 2.81Å; E306-K347 PolarHBondContact OE2-NZ 3.49Å; Q307-K347 VanDerWaalsContact O-CA 3.31Å; Q307-K347 WeakPolarHBondContact O-CA 3.25Å; K308-K347 HydrophobicContact CB-CD 4.47Å
348	A	95.5	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.8	177.1	0	0	0	0	0	109.2	I55 V192 E306 Q307 F398	I55-A348 HydrophobicContact CD1-CB 4.46Å; I55-A348 HydrophobicContact CG1-CB 3.99Å; I55-A348 HydrophobicContact CG2-CB 4.11Å; V192-A348 HydrophobicContact CG1-CB 4Å; E306-A348 WeakPolarHBondContact CA-O 3.48Å; Q307-A348 PolarHBondContact N-O 3.38Å; Q307-A348 PolarHBondContact O-N 2.92Å; A348-F398 HydrophobicContact CB-CD1 4.33Å; A348-F398 HydrophobicContact CB-CE1 3.76Å
349	Y	93.3	Very high	88	Confident	17 Å²	17	27.3 Å²	27.3	7%	0.067	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.6	174.9	-178.8	-74.2	0	0	0	109.5	K170 V192 Y193 F194 K304 E306 E351	K170-Y349 HydrophobicContact CD-CE1 4.35Å; V192-Y349 PolarHBondContact O-N 3.27Å; Y193-Y349 AromaticContact CD2-CD1 3.65Å; Y193-Y349 HydrophobicContact CD2-CD1 3.65Å; Y193-Y349 HydrophobicContact CD2-CE1 4.16Å; Y193-Y349 HydrophobicContact CE2-CD1 4.03Å; Y193-Y349 HydrophobicContact CE2-CE1 4.07Å; F194-Y349 PolarHBondContact N-O 3.44Å; K304-Y349 HydrophobicContact CD-CE2 3.6Å; K304-Y349 WeakPolarHBondContact CD-OH 3.39Å; K304-Y349 HydrophobicContact CG-CE1 4.49Å; K304-Y349 HydrophobicContact CG-CE2 3.92Å; E306-Y349 HydrophobicContact CB-CD2 3.92Å; Y349-E351 HydrophobicContact CE1-CB 3.68Å; Y349-E351 PolarHBondContact OH-OE2 3.16Å
350	L	91.7	Very high	85.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	172.6	172.4	66.5	0	0	0	109.7	I55 F194 M261 F303 K304 V305 V352 F386 I388	I55-L350 HydrophobicContact CD1-CB 3.23Å; I55-L350 HydrophobicContact CD1-CD2 4.03Å; I55-L350 HydrophobicContact CD1-CG 4.28Å; F194-L350 HydrophobicContact CD1-CD1 3.77Å; F194-L350 HydrophobicContact CE1-CD1 4.46Å; M261-L350 HydrophobicContact CE-CD2 4.01Å; F303-L350 HydrophobicContact CE2-CD2 4.33Å; K304-L350 WeakPolarHBondContact CA-O 3.39Å; V305-L350 HydrophobicContact CG1-CB 3.92Å; V305-L350 HydrophobicContact CG1-CD2 4.16Å; V305-L350 HydrophobicContact CG1-CG 4.4Å; V305-L350 PolarHBondContact N-O 3.3Å; V305-L350 PolarHBondContact O-N 3.1Å; L350-V352 HydrophobicContact CD1-CG2 4.21Å; L350-V352 HydrophobicContact CD2-CG2 4.2Å; L350-V352 HydrophobicContact CG-CG2 4.04Å; L350-F386 HydrophobicContact CD2-CD2 4.33Å; L350-F386 HydrophobicContact CD2-CE2 3.55Å; L350-F386 HydrophobicContact CD2-CZ 3.81Å; L350-I388 HydrophobicContact CD1-CD1 3.55Å; L350-I388 HydrophobicContact CD2-CD1 3.89Å; L350-I388 HydrophobicContact CG-CD1 4.37Å
351	E	89.4	Confident	82.5	Confident	41 Å²	41	32.5 Å²	32.5	19%	0.192	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.2	174.2	-175.7	176.7	172.2	0	0	108.7	K170 Y349 T353	K170-E351 IonicContact NZ-OE2 3.29Å; K170-E351 PolarHBondContact NZ-OE2 3.47Å; Y349-E351 HydrophobicContact CE1-CB 3.68Å; Y349-E351 PolarHBondContact OH-OE2 3.16Å; E351-T353 HydrophobicContact CG-CG2 4.02Å
352	V	92.6	Very high	79.7	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.1	-178	174.2	0	0	0	0	108.9	W198 M225 M261 L300 R302 F303 L350	W198-V352 HydrophobicContact CZ2-CG1 3.93Å; M225-V352 HydrophobicContact CE-CG1 3.87Å; M261-V352 HydrophobicContact CE-CG2 3.73Å; L300-V352 HydrophobicContact CD2-CG1 4.05Å; R302-V352 WeakPolarHBondContact CA-O 3.23Å; R302-V352 WeakPolarHBondContact CG-O 3.46Å; F303-V352 HydrophobicContact CD1-CB 4.01Å; F303-V352 HydrophobicContact CD1-CG1 4.34Å; F303-V352 HydrophobicContact CD1-CG2 4.43Å; F303-V352 HydrophobicContact CE1-CB 3.76Å; F303-V352 HydrophobicContact CE1-CG1 3.98Å; F303-V352 HydrophobicContact CE1-CG2 3.78Å; F303-V352 HydrophobicContact CE2-CB 4.5Å; F303-V352 HydrophobicContact CE2-CG2 4.02Å; F303-V352 HydrophobicContact CG-CB 4.46Å; F303-V352 HydrophobicContact CZ-CB 4.04Å; F303-V352 HydrophobicContact CZ-CG2 3.54Å; F303-V352 PolarHBondContact N-O 2.89Å; F303-V352 VanDerWaalsContact N-O 3.15Å; F303-V352 PolarHBondContact O-N 3.5Å; L350-V352 HydrophobicContact CD1-CG2 4.21Å; L350-V352 HydrophobicContact CD2-CG2 4.2Å; L350-V352 HydrophobicContact CG-CG2 4.04Å
353	T	92.2	Very high	77.1	Confident	33 Å²	33	39.4 Å²	39.4	20%	0.202	25%	0.249	C	C	.	.			trans	-128.4	-176.9	-179.5	71.2	0	0	0	0	110.8	W198 E351 E355	W198-T353 PolarHBondContact NE1-O 3.11Å; E351-T353 HydrophobicContact CG-CG2 4.02Å; T353-E355 PolarHBondContact O-N 2.96Å; T353-E355 WeakPolarHBondContact OG1-CB 3.34Å; T353-E355 PolarHBondContact OG1-N 3.43Å
354	E	93.1	Very high	74.2	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.047	28%	0.275	C	S	.	.	S	Bend	trans	-71.7	-16.9	177.2	-68.8	87.4	153.3	0	0	113.8	F202 P204 T207 M225 R302 G356	F202-E354 HydrophobicContact CB-CB 3.8Å; F202-E354 HydrophobicContact CB-CG 3.63Å; F202-E354 PolarHBondContact N-O 3.49Å; F202-E354 VanDerWaalsContact N-O 3.17Å; P204-E354 HydrophobicContact CG-CB 4.25Å; P204-E354 HydrophobicContact CG-CG 4.39Å; T207-E354 WeakPolarHBondContact CB-OE1 3.43Å; T207-E354 WeakPolarHBondContact CG2-OE1 3.42Å; T207-E354 PolarHBondContact OG1-OE1 3.41Å; M225-E354 HydrophobicContact CB-CG 4.43Å; M225-E354 HydrophobicContact CG-CG 3.95Å; M225-E354 HydrophobicContact SD-CB 4.28Å; M225-E354 VanDerWaalsContact SD-CD 3.57Å; M225-E354 HydrophobicContact SD-CG 3.6Å; M225-E354 VanDerWaalsContact SD-CG 3.6Å; M225-E354 PolarHBondContact SD-N 3.02Å; M225-E354 VanDerWaalsContact SD-N 3.39Å; R302-E354 IonicContact CZ-OE1 2.93Å; R302-E354 IonicContact CZ-OE2 3.19Å; R302-E354 IonicContact NE-OE1 3.28Å; R302-E354 PolarHBondContact NE-OE1 3.03Å; R302-E354 IonicContact NE-OE2 3.63Å; R302-E354 PolarHBondContact NE-OE2 3.37Å; R302-E354 IonicContact NH2-OE1 2.74Å; R302-E354 PolarHBondContact NH2-OE1 2.61Å; R302-E354 IonicContact NH2-OE2 3.75Å; R302-E354 PolarHBondContact NH2-OE2 3.01Å; E354-G356 PolarHBondContact O-N 2.83Å
355	E	87.9	Confident	71.2	Confident	97 Å²	97	49.3 Å²	49.3	45%	0.453	32%	0.315	S	S	.	.			trans	-56.9	131.8	-169.1	-168.9	178.2	178	0	0	112.3	W198 T353	W198-E355 PolarHBondContact N-O 3.4Å; T353-E355 PolarHBondContact O-N 2.96Å; T353-E355 WeakPolarHBondContact OG1-CB 3.34Å; T353-E355 PolarHBondContact OG1-N 3.43Å
356	G	81.3	Confident	68.5	Low	16 Å²	16	56.8 Å²	56.8	17%	0.165	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-176.1	-177	-176.8	0	0	0	0	0	111.4	W198 Q201 E354	W198-G356 VanDerWaalsContact N-CA 3.34Å; W198-G356 CarbonylContact O-C 3.49Å; W198-G356 WeakPolarHBondContact O-CA 3.11Å; Q201-G356 PolarHBondContact OE1-O 2.89Å; Q201-G356 VanDerWaalsContact OE1-O 3.13Å; E354-G356 PolarHBondContact O-N 2.83Å
357	S	63.1	Low	65.5	Low	33 Å²	33	60.3 Å²	60.3	23%	0.231	38%	0.382	C	S	.	.			trans	-76.7	144.6	171	-60.7	0	0	0	0	111.3	W198 Q201 E255 G359	W198-S357 PolarHBondContact O-N 3.25Å; Q201-S357 WeakPolarHBondContact CB-O 3.41Å; Q201-S357 PolarHBondContact N-O 3.23Å; E255-S357 VanDerWaalsContact CG-OG 3.3Å; E255-S357 WeakPolarHBondContact CG-OG 3.38Å; E255-S357 WeakPolarHBondContact OE2-CB 3.29Å; E255-S357 PolarHBondContact OE2-OG 3.22Å; S357-G359 PolarHBondContact O-N 3.3Å
358	E	59.5	Low	62.8	Low	178 Å²	178	66.5 Å²	66.5	83%	0.832	42%	0.416	S	S	*	.			trans	-70.3	69.1	168.8	-70.5	-169.7	165.2	0	0	110.1
359	G	45.3	Very low	60.3	Low	27 Å²	27	71.7 Å²	71.7	28%	0.278	45%	0.447	S	S	.	.			trans	-114.1	102.5	-173.4	0	0	0	0	0	112.9	N200 S357 V361	N200-G359 PolarHBondContact OD1-O 3.04Å; S357-G359 PolarHBondContact O-N 3.3Å; G359-V361 PolarHBondContact O-N 2.75Å
360	A	34.8	Very low	57.9	Low	99 Å²	99	82.8 Å²	82.8	82%	0.818	49%	0.489	S	S	*	.	S	Bend	trans	60.7	38.7	155.5	0	0	0	0	0	119.8
361	V	41.1	Very low	55.8	Low	62 Å²	62	87.5 Å²	87.5	38%	0.376	52%	0.518	S	S	.	.			trans	-118.6	89.8	149.8	-169.6	0	0	0	0	107.1	R203 Q228 G359	R203-V361 PolarHBondContact NH2-O 2.98Å; Q228-V361 VanDerWaalsContact O-CG2 3.26Å; Q228-V361 WeakPolarHBondContact O-CG2 3.17Å; G359-V361 PolarHBondContact O-N 2.75Å
362	G	37.9	Very low	53.8	Low	62 Å²	62	93.7 Å²	93.7	64%	0.639	55%	0.552	S	S	*	*			trans	-52.1	144.1	165.7	0	0	0	0	0	108.6	G364	G362-G364 PolarHBondContact O-N 3.33Å
363	S	38.8	Very low	52.1	Low	98 Å²	98	98.5 Å²	98.5	69%	0.685	58%	0.581	S	S	*	*			trans	-57.1	79.3	158.8	-76.6	0	0	0	0	108	R203 M365	R203-S363 PolarHBondContact NH1-OG 3.37Å; R203-S363 PolarHBondContact NH2-OG 2.59Å; S363-M365 VanDerWaalsContact C-N 3.3Å; S363-M365 PolarHBondContact O-N 2.78Å
364	G	35.4	Very low	50.9	Low	64 Å²	64	104.6 Å²	104.6	66%	0.66	61%	0.612	S	S	*	*			trans	-74.1	95.7	165.6	0	0	0	0	0	104.9	G362 I366	G362-G364 PolarHBondContact O-N 3.33Å; G364-I366 PolarHBondContact O-N 2.91Å
365	M	32.4	Very low	50.3	Low	171 Å²	171	105.9 Å²	105.9	84%	0.842	62%	0.618	S	S	*	*			trans	-28.6	126.7	145.7	-81	164.3	40.8	0	0	107.9	S363 A367	S363-M365 VanDerWaalsContact C-N 3.3Å; S363-M365 PolarHBondContact O-N 2.78Å; M365-A367 PolarHBondContact O-N 3.1Å
366	I	39.4	Very low	50.6	Low	157 Å²	157	104.7 Å²	104.7	81%	0.805	61%	0.613	S	S	*	*			trans	-54.3	86.1	169.2	-59.7	166.5	0	0	0	106.2	G364 L368	G364-I366 PolarHBondContact O-N 2.91Å; I366-L368 PolarHBondContact O-N 3.21Å; I366-L368 VanDerWaalsContact O-N 3.1Å
367	A	33.8	Very low	51.3	Low	74 Å²	74	108 Å²	108	61%	0.612	62%	0.624	S	S	*	*			trans	-66.2	112.7	164.8	0	0	0	0	0	102.5	M365 T369	M365-A367 PolarHBondContact O-N 3.1Å; A367-T369 PolarHBondContact O-N 3.2Å; A367-T369 PolarHBondContact O-OG1 2.8Å
368	L	39.7	Very low	53	Low	155 Å²	155	106.6 Å²	106.6	81%	0.812	61%	0.614	S	S	*	*			trans	-61.9	66.9	172.3	-67.9	161.9	0	0	0	109.2	I366 R370	I366-L368 PolarHBondContact O-N 3.21Å; I366-L368 VanDerWaalsContact O-N 3.1Å; L368-R370 PolarHBondContact O-N 3.4Å; L368-R370 VanDerWaalsContact O-N 3.15Å
369	T	43.2	Very low	54.8	Low	108 Å²	108	100.4 Å²	100.4	66%	0.663	59%	0.586	S	S	*	*			trans	-65.6	109.5	157.8	2.5	0	0	0	0	104.9	A367 T371	A367-T369 PolarHBondContact O-N 3.2Å; A367-T369 PolarHBondContact O-OG1 2.8Å; T369-T371 PolarHBondContact O-N 3.21Å
370	R	43.9	Very low	57.3	Low	250 Å²	250	99.2 Å²	99.2	94%	0.943	57%	0.573	S	S	*	*	S	Bend	trans	-67.2	27.7	-176.3	-70.6	-179.3	164.3	-172.5	-4.4	114.1	L368	L368-R370 PolarHBondContact O-N 3.4Å; L368-R370 VanDerWaalsContact O-N 3.15Å
371	T	46.2	Very low	60.3	Low	99 Å²	99	95.1 Å²	95.1	61%	0.607	54%	0.537	S	S	*	.	S	Bend	trans	-128.4	111.3	175.8	39.5	0	0	0	0	106.5	T369 V373	T369-T371 PolarHBondContact O-N 3.21Å; T371-V373 VanDerWaalsContact C-N 3.31Å; T371-V373 PolarHBondContact O-N 3.44Å
372	L	47.5	Very low	62.9	Low	171 Å²	171	92.6 Å²	92.6	90%	0.895	52%	0.522	S	S	*	.			trans	-58.1	96.4	168.6	-76.9	158	0	0	0	107.5	L374	L372-L374 PolarHBondContact O-N 2.67Å
373	V	57.1	Low	65.8	Low	104 Å²	104	89.6 Å²	89.6	63%	0.63	49%	0.491	S	S	*	.			trans	-75	103	164.2	-178.7	0	0	0	0	104.8	T371 N375	T371-V373 VanDerWaalsContact C-N 3.31Å; T371-V373 PolarHBondContact O-N 3.44Å; V373-N375 VanDerWaalsContact C-N 3.29Å; V373-N375 PolarHBondContact O-N 2.88Å
374	L	67.2	Low	68.6	Low	162 Å²	162	85 Å²	85	85%	0.848	46%	0.458	S	S	*	.			trans	-69	91.7	171.9	-75	155.9	0	0	0	107	L372	L372-L374 PolarHBondContact O-N 2.67Å
375	N	81.9	Confident	71.6	Confident	36 Å²	36	81.9 Å²	81.9	19%	0.193	43%	0.427	C	S	.	.			trans	-69.8	151.2	167.1	-52.4	-57.7	0	0	0	108.2	Q228 E297 V373	Q228-N375 PolarHBondContact NE2-ND2 3.04Å; E297-N375 HydrophobicContact CG-CB 4.35Å; E297-N375 PolarHBondContact OE1-ND2 2.88Å; V373-N375 VanDerWaalsContact C-N 3.29Å; V373-N375 PolarHBondContact O-N 2.88Å
376	Q	93.1	Very high	74.8	Confident	73 Å²	73	73.8 Å²	73.8	34%	0.341	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	141.6	169	-62.1	-60.7	-17	0	0	108.9	Y233 V296 E297	Y233-Q376 HydrophobicContact CD1-CB 4.17Å; Y233-Q376 HydrophobicContact CD1-CG 3.94Å; Y233-Q376 HydrophobicContact CE1-CB 3.91Å; Y233-Q376 HydrophobicContact CE1-CG 3.58Å; Y233-Q376 HydrophobicContact CE2-CB 4.4Å; V296-Q376 CarbonylContact C-O 3.6Å; V296-Q376 WeakPolarHBondContact CA-O 3.46Å; V296-Q376 HydrophobicContact CG1-CB 4.47Å; V296-Q376 WeakPolarHBondContact CG1-O 3.46Å; E297-Q376 PolarHBondContact N-O 3.1Å
377	Q	95.9	Very high	77.6	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.3	178.7	-176.5	174.1	91.7	0	0	108.7	Q248 E297 Y299	Q248-Q377 PolarHBondContact NE2-O 2.89Å; E297-Q377 HydrophobicContact CB-CB 4.44Å; E297-Q377 HydrophobicContact CB-CG 4.31Å; E297-Q377 WeakPolarHBondContact O-CA 3.27Å; E297-Q377 PolarHBondContact OE2-NE2 2.89Å; Y299-Q377 HydrophobicContact CD2-CG 4.15Å; Y299-Q377 HydrophobicContact CE2-CG 3.84Å
378	V	98.1	Very high	80.6	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114	172.4	178.2	0	0	0	0	106.6	Y233 L250 L265 V296 E297 Y299	Y233-V378 HydrophobicContact CD2-CG2 3.78Å; Y233-V378 HydrophobicContact CE2-CG2 3.65Å; L250-V378 HydrophobicContact CB-CG1 4.19Å; L250-V378 HydrophobicContact CB-CG2 4.26Å; L250-V378 HydrophobicContact CD2-CB 4.09Å; L250-V378 HydrophobicContact CD2-CG1 3.87Å; L250-V378 HydrophobicContact CD2-CG2 4.42Å; L265-V378 HydrophobicContact CD2-CG1 3.91Å; V296-V378 HydrophobicContact CG1-CB 4.37Å; V296-V378 HydrophobicContact CG1-CG2 3.84Å; E297-V378 PolarHBondContact O-N 3.43Å; Y299-V378 PolarHBondContact N-O 3.24Å
379	M	97.9	Very high	83.2	Confident	49 Å²	49	57.1 Å²	57.1	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	99.9	-178.8	-178.3	171.6	67.9	0	0	109.8	F210 L265 Y299 D381	F210-M379 HydrophobicContact CE1-SD 4.41Å; L265-M379 WeakPolarHBondContact CD2-O 3.29Å; Y299-M379 HydrophobicContact CD2-CB 4.18Å; Y299-M379 HydrophobicContact CD2-CG 4.41Å; Y299-M379 HydrophobicContact CG-CB 4.42Å; Y299-M379 HydrophobicContact CG-CG 4.21Å; M379-D381 WeakPolarHBondContact CE-OD2 3.35Å; M379-D381 HydrophobicContact CG-CB 3.92Å; M379-D381 PolarHBondContact O-N 2.88Å; M379-D381 HydrophobicContact SD-CB 4.48Å
380	A	98	Very high	85.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.257	C	S	.	.			trans	-79.8	58.5	-179.9	0	0	0	0	0	111.3	L265 Y299 L300 P301 F384	L265-A380 HydrophobicContact CD1-CB 4.35Å; Y299-A380 PolarHBondContact O-N 3.37Å; L300-A380 HydrophobicContact CD1-CB 4.15Å; P301-A380 VanDerWaalsContact CD-O 3.25Å; P301-A380 WeakPolarHBondContact CD-O 3.49Å; P301-A380 VanDerWaalsContact CG-O 3.23Å; P301-A380 WeakPolarHBondContact CG-O 3.35Å; A380-F384 HydrophobicContact CB-CD1 3.9Å; A380-F384 HydrophobicContact CB-CE1 4.04Å
381	D	97.1	Very high	87.7	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.07	23%	0.225	C	C	.	.			trans	-95.4	14.5	178	73.1	-21.2	0	0	0	113.4	F212 S213 M224 Q268 M379	F212-D381 CarbonylContact C-O 3.44Å; F212-D381 VanDerWaalsContact CA-O 3.23Å; F212-D381 WeakPolarHBondContact CA-O 3.33Å; F212-D381 VanDerWaalsContact CD2-C 3.47Å; S213-D381 PolarHBondContact N-O 2.97Å; M224-D381 HydrophobicContact CE-CB 4.08Å; Q268-D381 PolarHBondContact NE2-OD2 3.18Å; M379-D381 WeakPolarHBondContact CE-OD2 3.35Å; M379-D381 HydrophobicContact CG-CB 3.92Å; M379-D381 PolarHBondContact O-N 2.88Å; M379-D381 HydrophobicContact SD-CB 4.48Å
382	H	97.4	Very high	89.6	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-154.6	169	177.6	59.2	-78.9	0	0	0	109.6	F212 S213 L265 P266 F384	F212-H382 WeakPolarHBondContact CE2-O 3.44Å; F212-H382 WeakPolarHBondContact CZ-O 3.43Å; S213-H382 VanDerWaalsContact O-CA 3.29Å; S213-H382 WeakPolarHBondContact O-CA 3.48Å; S213-H382 VanDerWaalsContact O-CB 3.27Å; S213-H382 WeakPolarHBondContact O-CB 3.47Å; L265-H382 WeakPolarHBondContact CD1-NE2 3.27Å; P266-H382 PolarHBondContact O-NE2 2.74Å; H382-F384 WeakPolarHBondContact O-CD1 3.43Å; H382-F384 PolarHBondContact O-N 2.99Å
383	P	97.7	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.			trans	-52	133.7	-172.4	-34.1	39.3	0	0	0	115.2	F212 S213 D215 P266 L272 V402 M403	F212-P383 HydrophobicContact CE1-CG 4.17Å; F212-P383 HydrophobicContact CZ-CG 4.37Å; S213-P383 WeakPolarHBondContact O-CD 3.36Å; D215-P383 HydrophobicContact CB-CG 4.48Å; D215-P383 WeakPolarHBondContact OD1-CG 3.4Å; P266-P383 WeakPolarHBondContact CD-O 3.42Å; L272-P383 HydrophobicContact CB-CB 3.95Å; L272-P383 HydrophobicContact CD2-CB 4.27Å; P383-V402 WeakPolarHBondContact CA-O 3.35Å; P383-M403 HydrophobicContact CB-CE 3.88Å; P383-M403 HydrophobicContact CB-SD 3.88Å; P383-M403 HydrophobicContact CG-CE 3.97Å; P383-M403 HydrophobicContact CG-SD 4.45Å
384	F	98.2	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.9	-177.4	61.3	-93	0	0	0	112	F212 I263 L265 L300 P301 F303 A380 H382 F386 R401 V402	F212-F384 HydrophobicContact CE2-CD1 4.44Å; F212-F384 HydrophobicContact CE2-CE1 4.27Å; I263-F384 HydrophobicContact CG2-CB 4.21Å; I263-F384 HydrophobicContact CG2-CD2 3.95Å; I263-F384 HydrophobicContact CG2-CG 4.24Å; L265-F384 HydrophobicContact CD1-CB 3.76Å; L300-F384 HydrophobicContact CD1-CZ 4.42Å; P301-F384 HydrophobicContact CG-CE1 4.5Å; F303-F384 HydrophobicContact CD1-CZ 4.42Å; F303-F384 HydrophobicContact CE1-CE2 4.38Å; F303-F384 AromaticContact CE1-CZ 3.86Å; F303-F384 HydrophobicContact CE1-CZ 3.86Å; F303-F384 HydrophobicContact CZ-CE2 4.33Å; F303-F384 HydrophobicContact CZ-CZ 4.16Å; A380-F384 HydrophobicContact CB-CD1 3.9Å; A380-F384 HydrophobicContact CB-CE1 4.04Å; H382-F384 WeakPolarHBondContact O-CD1 3.43Å; H382-F384 PolarHBondContact O-N 2.99Å; F384-F386 HydrophobicContact CD2-CB 4.48Å; F384-F386 HydrophobicContact CE2-CD1 4.29Å; F384-R401 CarbonylContact O-C 3.57Å; F384-R401 VanDerWaalsContact O-CA 3.26Å; F384-R401 WeakPolarHBondContact O-CA 3.21Å; F384-V402 HydrophobicContact CD1-CB 4.26Å; F384-V402 HydrophobicContact CD2-CB 4.43Å; F384-V402 HydrophobicContact CD2-CG2 4.49Å; F384-V402 HydrophobicContact CE1-CB 3.75Å; F384-V402 HydrophobicContact CE1-CG1 4.03Å; F384-V402 HydrophobicContact CE1-CG2 4.25Å; F384-V402 HydrophobicContact CE2-CB 3.94Å; F384-V402 HydrophobicContact CE2-CG2 3.68Å; F384-V402 HydrophobicContact CZ-CB 3.58Å; F384-V402 HydrophobicContact CZ-CG1 4.09Å; F384-V402 HydrophobicContact CZ-CG2 3.54Å; F384-V402 PolarHBondContact N-O 2.9Å; F384-V402 PolarHBondContact O-N 3Å
385	F	98.4	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	148	170.1	171	-94.9	0	0	0	109.7	Y42 V264 L272 I279 L284 W287 V387 M399 G400	Y42-F385 HydrophobicContact CD2-CD2 4.49Å; Y42-F385 AromaticContact CD2-CE2 3.9Å; Y42-F385 HydrophobicContact CD2-CE2 3.9Å; Y42-F385 HydrophobicContact CE1-CD2 4.42Å; Y42-F385 HydrophobicContact CE1-CE2 4.29Å; Y42-F385 AromaticContact CE2-CD2 3.71Å; Y42-F385 HydrophobicContact CE2-CD2 3.71Å; Y42-F385 AromaticContact CE2-CE2 3.57Å; Y42-F385 HydrophobicContact CE2-CE2 3.57Å; Y42-F385 HydrophobicContact CG-CE2 4.38Å; Y42-F385 AromaticContact CZ-CD2 3.67Å; Y42-F385 AromaticContact CZ-CE2 3.78Å; V264-F385 HydrophobicContact CB-CB 4.25Å; V264-F385 HydrophobicContact CB-CD1 4Å; V264-F385 HydrophobicContact CG2-CD1 3.8Å; V264-F385 HydrophobicContact CG2-CE1 4.46Å; V264-F385 PolarHBondContact N-O 3.06Å; V264-F385 PolarHBondContact O-N 2.86Å; L272-F385 HydrophobicContact CD1-CB 4.05Å; I279-F385 HydrophobicContact CD1-CB 4.35Å; I279-F385 HydrophobicContact CD1-CD1 4.01Å; I279-F385 HydrophobicContact CD1-CD2 3.74Å; I279-F385 HydrophobicContact CD1-CE1 4.16Å; I279-F385 HydrophobicContact CD1-CE2 3.92Å; I279-F385 HydrophobicContact CD1-CG 3.77Å; I279-F385 HydrophobicContact CD1-CZ 4.13Å; I279-F385 HydrophobicContact CG2-CE1 4.48Å; I279-F385 HydrophobicContact CG2-CZ 4.11Å; L284-F385 HydrophobicContact CD2-CE1 4.3Å; W287-F385 HydrophobicContact CH2-CE1 4.43Å; W287-F385 HydrophobicContact CZ3-CD1 4.29Å; W287-F385 AromaticContact CZ3-CE1 3.92Å; W287-F385 HydrophobicContact CZ3-CE1 3.92Å; F385-V387 HydrophobicContact CD1-CG2 4.32Å; F385-V387 HydrophobicContact CE1-CG2 3.31Å; F385-V387 HydrophobicContact CZ-CG2 3.56Å; F385-M399 HydrophobicContact CE2-CG 3.57Å; F385-M399 HydrophobicContact CE2-SD 4.1Å; F385-M399 HydrophobicContact CZ-CE 4.36Å; F385-M399 HydrophobicContact CZ-CG 3.58Å; F385-M399 HydrophobicContact CZ-SD 3.94Å; F385-G400 WeakPolarHBondContact CD2-O 3.38Å
386	F	98.4	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.3	176	72.4	-89.1	0	0	0	113.2	I55 M262 V305 L350 F384 I388 F398 G400 V402	I55-F386 HydrophobicContact CB-CZ 4.49Å; I55-F386 HydrophobicContact CD1-CZ 4.18Å; I55-F386 HydrophobicContact CG1-CZ 4.22Å; M262-F386 CarbonylContact O-C 3.5Å; M262-F386 WeakPolarHBondContact O-CA 2.98Å; M262-F386 WeakPolarHBondContact O-CB 3.35Å; V305-F386 HydrophobicContact CG1-CZ 4.28Å; L350-F386 HydrophobicContact CD2-CD2 4.33Å; L350-F386 HydrophobicContact CD2-CE2 3.55Å; L350-F386 HydrophobicContact CD2-CZ 3.81Å; F384-F386 HydrophobicContact CD2-CB 4.48Å; F384-F386 HydrophobicContact CE2-CD1 4.29Å; F386-I388 HydrophobicContact CD2-CG1 4.5Å; F386-F398 HydrophobicContact CE2-CB 4.35Å; F386-G400 VanDerWaalsContact CE1-C 3.5Å; F386-G400 PolarHBondContact N-O 3.18Å; F386-G400 PolarHBondContact O-N 2.87Å; F386-V402 HydrophobicContact CD1-CG2 4.19Å; F386-V402 HydrophobicContact CE1-CG2 4Å
387	V	98.1	Very high	94.6	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.2	172.4	-172.6	0	0	0	0	108.7	M261 M262 L284 F385 R389 I396 F398	M261-V387 CarbonylContact C-O 3.59Å; M261-V387 WeakPolarHBondContact CA-O 3.42Å; M262-V387 HydrophobicContact CB-CB 4.46Å; M262-V387 PolarHBondContact N-O 2.65Å; M262-V387 PolarHBondContact O-N 3.06Å; L284-V387 HydrophobicContact CD2-CG2 4.43Å; F385-V387 HydrophobicContact CD1-CG2 4.32Å; F385-V387 HydrophobicContact CE1-CG2 3.31Å; F385-V387 HydrophobicContact CZ-CG2 3.56Å; V387-R389 HydrophobicContact CG1-CB 4.19Å; V387-I396 HydrophobicContact CG1-CB 4.3Å; V387-I396 HydrophobicContact CG1-CD1 4.27Å; V387-I396 HydrophobicContact CG1-CG1 3.97Å; V387-I396 HydrophobicContact CG1-CG2 3.55Å; V387-F398 CarbonylContact C-O 3.56Å; V387-F398 WeakPolarHBondContact CA-O 3.23Å
388	I	96.8	Very high	94.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.2	164.2	-59.3	177.1	0	0	0	107.3	F194 Y254 M259 S260 M261 L350 F386 L397 F398	F194-I388 HydrophobicContact CD1-CD1 3.86Å; F194-I388 HydrophobicContact CE1-CD1 3.94Å; F194-I388 HydrophobicContact CE1-CG2 4.39Å; F194-I388 HydrophobicContact CZ-CG2 4.3Å; Y254-I388 HydrophobicContact CE2-CG2 4.21Å; M259-I388 HydrophobicContact CE-CG2 3.85Å; S260-I388 VanDerWaalsContact O-CA 3.29Å; S260-I388 WeakPolarHBondContact O-CA 3.26Å; M261-I388 HydrophobicContact CB-CG1 4.42Å; M261-I388 HydrophobicContact CE-CD1 3.76Å; M261-I388 HydrophobicContact CE-CG1 3.91Å; M261-I388 HydrophobicContact CG-CG1 4.41Å; L350-I388 HydrophobicContact CD1-CD1 3.55Å; L350-I388 HydrophobicContact CD2-CD1 3.89Å; L350-I388 HydrophobicContact CG-CD1 4.37Å; F386-I388 HydrophobicContact CD2-CG1 4.5Å; I388-L397 HydrophobicContact CG2-CB 4.35Å; I388-L397 HydrophobicContact CG2-CD2 4.27Å; I388-L397 WeakPolarHBondContact O-CA 3.02Å; I388-L397 PolarHBondContact O-N 3.24Å; I388-F398 HydrophobicContact CB-CB 4.07Å; I388-F398 HydrophobicContact CB-CD2 4.4Å; I388-F398 HydrophobicContact CD1-CB 4.25Å; I388-F398 HydrophobicContact CD1-CD2 4.06Å; I388-F398 HydrophobicContact CD1-CG 4.48Å; I388-F398 HydrophobicContact CG1-CB 4.26Å; I388-F398 PolarHBondContact N-O 3.16Å; I388-F398 PolarHBondContact O-N 3.18Å; I388-F398 VanDerWaalsContact O-N 3.12Å
389	R	94.3	Very high	94.7	Very high	34 Å²	34	20.9 Å²	20.9	13%	0.128	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.5	-172.1	66.9	179.1	-127.9	84.5	-1.7	112.8	E251 M259 S260 V387 R391 G394 S395	E251-R389 IonicContact OE1-NE 2.8Å; M259-R389 WeakPolarHBondContact CA-O 3.28Å; S260-R389 PolarHBondContact N-O 2.91Å; S260-R389 PolarHBondContact O-N 3.39Å; V387-R389 HydrophobicContact CG1-CB 4.19Å; R389-R391 PolarHBondContact NH2-O 2.95Å; R389-G394 VanDerWaalsContact NH1-CA 3.29Å; R389-G394 PolarHBondContact NH1-O 2.9Å; R389-S395 CarbonylContact C-O 3.42Å; R389-S395 VanDerWaalsContact CA-O 3.28Å; R389-S395 WeakPolarHBondContact CA-O 3.42Å
390	N	91.6	Very high	94.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.9	164.6	-172.2	-61.2	0	0	0	109.1	D258 M259 R392 T393 G394 S395	D258-N390 CarbonylContact O-C 3.57Å; D258-N390 WeakPolarHBondContact O-CA 3.45Å; M259-N390 VanDerWaalsContact SD-CA 3.58Å; M259-N390 HydrophobicContact SD-CB 3.69Å; N390-R392 VanDerWaalsContact C-N 3.29Å; N390-R392 PolarHBondContact O-N 2.86Å; N390-R392 WeakPolarHBondContact OD1-CA 3.42Å; N390-R392 WeakPolarHBondContact OD1-CB 3.4Å; N390-R392 PolarHBondContact OD1-N 2.9Å; N390-T393 WeakPolarHBondContact CB-OG1 3.2Å; N390-T393 PolarHBondContact OD1-N 2.81Å; N390-G394 CarbonylContact O-C 3.55Å; N390-G394 WeakPolarHBondContact O-CA 3.31Å; N390-G394 PolarHBondContact O-N 2.87Å; N390-S395 PolarHBondContact N-O 2.74Å
391	R	90.3	Very high	94.6	Very high	73 Å²	73	18.7 Å²	18.7	28%	0.275	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.6	-175.6	-67.1	-175.8	61.7	-114.1	2.7	113.1	Y232 E251 E257 D258 S260 R389	Y232-R391 PolarHBondContact OH-NH2 3.19Å; E251-R391 VanDerWaalsContact OE1-CD 3.32Å; E251-R391 WeakPolarHBondContact OE1-CD 3.49Å; E251-R391 WeakPolarHBondContact OE1-CG 3.22Å; E251-R391 IonicContact OE1-NE 3.03Å; E251-R391 PolarHBondContact OE1-NE 3.13Å; E257-R391 WeakPolarHBondContact O-CD 3.41Å; E257-R391 PolarHBondContact O-NH1 3.01Å; D258-R391 PolarHBondContact O-N 2.6Å; S260-R391 WeakPolarHBondContact OG-CD 3.13Å; S260-R391 VanDerWaalsContact OG-CG 3.25Å; S260-R391 WeakPolarHBondContact OG-CG 3.25Å; R389-R391 PolarHBondContact NH2-O 2.95Å
392	R	86.6	Confident	94.6	Very high	170 Å²	170	18.1 Å²	18.1	64%	0.642	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-44.2	179.2	-178.5	-177.3	64.6	158.3	-2.7	111.9	N390	N390-R392 VanDerWaalsContact C-N 3.29Å; N390-R392 PolarHBondContact O-N 2.86Å; N390-R392 WeakPolarHBondContact OD1-CA 3.42Å; N390-R392 WeakPolarHBondContact OD1-CB 3.4Å; N390-R392 PolarHBondContact OD1-N 2.9Å
393	T	85.7	Confident	94.5	Very high	49 Å²	49	18 Å²	18	30%	0.301	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-15	-173.9	68.3	0	0	0	0	114.2	L101 N390 S395	L101-T393 HydrophobicContact CD2-CG2 4.21Å; N390-T393 WeakPolarHBondContact CB-OG1 3.2Å; N390-T393 PolarHBondContact OD1-N 2.81Å; T393-S395 PolarHBondContact O-N 3.15Å; T393-S395 WeakPolarHBondContact OG1-CB 3.45Å; T393-S395 PolarHBondContact OG1-N 3.02Å; T393-S395 PolarHBondContact OG1-OG 3.15Å
394	G	87.8	Confident	94.2	Very high	21 Å²	21	19.8 Å²	19.8	22%	0.216	9%	0.093	C	C	.	.			trans	90.8	-31.6	-171.3	0	0	0	0	0	113.1	R389 N390	R389-G394 VanDerWaalsContact NH1-CA 3.29Å; R389-G394 PolarHBondContact NH1-O 2.9Å; N390-G394 CarbonylContact O-C 3.55Å; N390-G394 WeakPolarHBondContact O-CA 3.31Å; N390-G394 PolarHBondContact O-N 2.87Å
395	S	89.5	Confident	93.6	Very high	7 Å²	7	20 Å²	20	5%	0.049	10%	0.095	C	C	.	.			trans	-57.1	137.9	-164.4	-49	0	0	0	0	114.2	L101 R389 N390 T393	L101-S395 WeakPolarHBondContact CD2-OG 3.42Å; R389-S395 CarbonylContact C-O 3.42Å; R389-S395 VanDerWaalsContact CA-O 3.28Å; R389-S395 WeakPolarHBondContact CA-O 3.42Å; N390-S395 PolarHBondContact N-O 2.74Å; T393-S395 PolarHBondContact O-N 3.15Å; T393-S395 WeakPolarHBondContact OG1-CB 3.45Å; T393-S395 PolarHBondContact OG1-N 3.02Å; T393-S395 PolarHBondContact OG1-OG 3.15Å
396	I	94.6	Very high	92.8	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.8	-176.4	-59.1	174.5	0	0	0	110.1	P58 L59 L284 V387 F398 M399	P58-I396 HydrophobicContact CG-CB 4.39Å; P58-I396 HydrophobicContact CG-CG2 3.9Å; L59-I396 WeakPolarHBondContact CB-O 3.35Å; L59-I396 PolarHBondContact N-O 3.3Å; L284-I396 HydrophobicContact CD1-CD1 3.5Å; L284-I396 VanDerWaalsContact CD1-CD1 3.5Å; V387-I396 HydrophobicContact CG1-CB 4.3Å; V387-I396 HydrophobicContact CG1-CD1 4.27Å; V387-I396 HydrophobicContact CG1-CG1 3.97Å; V387-I396 HydrophobicContact CG1-CG2 3.55Å; I396-F398 VanDerWaalsContact CG2-O 3.3Å; I396-F398 WeakPolarHBondContact CG2-O 3.2Å; I396-M399 HydrophobicContact CD1-CE 3.57Å; I396-M399 HydrophobicContact CG2-CB 4.17Å; I396-M399 HydrophobicContact CG2-CE 4.26Å
397	L	94.6	Very high	91.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-48.6	175.1	-179.4	64.3	0	0	0	111.1	S57 L105 I114 F116 F194 M259 I388	S57-L397 WeakPolarHBondContact CA-O 3.41Å; S57-L397 WeakPolarHBondContact CB-O 3.45Å; S57-L397 PolarHBondContact OG-O 3.05Å; L105-L397 HydrophobicContact CD1-CD1 4.22Å; I114-L397 HydrophobicContact CD1-CD2 3.7Å; I114-L397 HydrophobicContact CG1-CD2 3.92Å; I114-L397 HydrophobicContact CG2-CD1 4.45Å; F116-L397 HydrophobicContact CE1-CD1 3.97Å; F116-L397 HydrophobicContact CZ-CD1 3.61Å; F194-L397 HydrophobicContact CB-CD2 4.27Å; F194-L397 HydrophobicContact CD2-CD2 3.67Å; F194-L397 HydrophobicContact CE2-CD2 4.25Å; F194-L397 HydrophobicContact CG-CD2 4.12Å; M259-L397 HydrophobicContact CE-CB 4.04Å; M259-L397 HydrophobicContact CE-CD2 3.87Å; I388-L397 HydrophobicContact CG2-CB 4.35Å; I388-L397 HydrophobicContact CG2-CD2 4.27Å; I388-L397 WeakPolarHBondContact O-CA 3.02Å; I388-L397 PolarHBondContact O-N 3.24Å
398	F	96.9	Very high	90.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.9	174.7	-72.7	-83.4	0	0	0	111.1	I55 F56 V192 F194 A348 F386 V387 I388 I396	I55-F398 HydrophobicContact CD1-CD1 3.63Å; I55-F398 HydrophobicContact CD1-CE1 3.96Å; I55-F398 HydrophobicContact CD1-CG 4.33Å; I55-F398 HydrophobicContact CG1-CD1 3.67Å; I55-F398 HydrophobicContact CG1-CE1 4.22Å; F56-F398 WeakPolarHBondContact O-CA 3.44Å; F56-F398 WeakPolarHBondContact O-CD1 3.38Å; V192-F398 HydrophobicContact CB-CZ 4.31Å; V192-F398 HydrophobicContact CG1-CE1 3.77Å; V192-F398 HydrophobicContact CG1-CZ 3.88Å; V192-F398 HydrophobicContact CG2-CE1 4.4Å; V192-F398 HydrophobicContact CG2-CE2 4.26Å; V192-F398 HydrophobicContact CG2-CZ 3.7Å; F194-F398 HydrophobicContact CB-CD2 4.17Å; F194-F398 HydrophobicContact CB-CE2 3.36Å; F194-F398 HydrophobicContact CB-CZ 4.09Å; F194-F398 HydrophobicContact CG-CE2 4.23Å; A348-F398 HydrophobicContact CB-CD1 4.33Å; A348-F398 HydrophobicContact CB-CE1 3.76Å; F386-F398 HydrophobicContact CE2-CB 4.35Å; V387-F398 CarbonylContact C-O 3.56Å; V387-F398 WeakPolarHBondContact CA-O 3.23Å; I388-F398 HydrophobicContact CB-CB 4.07Å; I388-F398 HydrophobicContact CB-CD2 4.4Å; I388-F398 HydrophobicContact CD1-CB 4.25Å; I388-F398 HydrophobicContact CD1-CD2 4.06Å; I388-F398 HydrophobicContact CD1-CG 4.48Å; I388-F398 HydrophobicContact CG1-CB 4.26Å; I388-F398 PolarHBondContact N-O 3.16Å; I388-F398 PolarHBondContact O-N 3.18Å; I388-F398 VanDerWaalsContact O-N 3.12Å; I396-F398 VanDerWaalsContact CG2-O 3.3Å; I396-F398 WeakPolarHBondContact CG2-O 3.2Å
399	M	97.9	Very high	88.4	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.5	168.8	-175.1	177.8	-68	0	0	108.5	V39 Y42 F56 P58 L284 F385 I396	V39-M399 HydrophobicContact CG2-CE 4.26Å; Y42-M399 VanDerWaalsContact CB-SD 3.57Å; Y42-M399 HydrophobicContact CD2-CG 3.95Å; Y42-M399 HydrophobicContact CD2-SD 4.09Å; Y42-M399 HydrophobicContact CG-CG 4.44Å; Y42-M399 HydrophobicContact CG-SD 3.97Å; F56-M399 VanDerWaalsContact CD1-O 3.23Å; F56-M399 WeakPolarHBondContact CD1-O 3.31Å; F56-M399 HydrophobicContact CE1-CB 3.8Å; F56-M399 HydrophobicContact CE1-CG 4.11Å; F56-M399 HydrophobicContact CE1-SD 4.4Å; F56-M399 HydrophobicContact CZ-CB 3.93Å; F56-M399 HydrophobicContact CZ-CG 4.32Å; F56-M399 HydrophobicContact CZ-SD 4.15Å; F56-M399 PolarHBondContact N-O 3.14Å; F56-M399 PolarHBondContact O-N 2.79Å; F56-M399 VanDerWaalsContact O-N 3.1Å; P58-M399 HydrophobicContact CG-CB 4.26Å; L284-M399 HydrophobicContact CD1-CE 3.69Å; F385-M399 HydrophobicContact CE2-CG 3.57Å; F385-M399 HydrophobicContact CE2-SD 4.1Å; F385-M399 HydrophobicContact CZ-CE 4.36Å; F385-M399 HydrophobicContact CZ-CG 3.58Å; F385-M399 HydrophobicContact CZ-SD 3.94Å; I396-M399 HydrophobicContact CD1-CE 3.57Å; I396-M399 HydrophobicContact CG2-CB 4.17Å; I396-M399 HydrophobicContact CG2-CE 4.26Å
400	G	97.1	Very high	86.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-176.6	-175.4	0	0	0	0	0	114.7	I54 F385 F386	I54-G400 CarbonylContact O-C 3.46Å; I54-G400 WeakPolarHBondContact O-CA 3.37Å; F385-G400 WeakPolarHBondContact CD2-O 3.38Å; F386-G400 VanDerWaalsContact CE1-C 3.5Å; F386-G400 PolarHBondContact N-O 3.18Å; F386-G400 PolarHBondContact O-N 2.87Å
401	R	97	Very high	83.9	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.1	172.4	73.6	-170.3	-176.3	179	1.8	110.5	G50 E52 N53 I54 L272 E276 F384 M403	G50-R401 PolarHBondContact O-NH2 3.18Å; E52-R401 PolarHBondContact O-NE 2.93Å; E52-R401 PolarHBondContact O-NH2 2.71Å; N53-R401 WeakPolarHBondContact CA-O 3.45Å; I54-R401 HydrophobicContact CB-CG 4.06Å; I54-R401 HydrophobicContact CD1-CG 4.45Å; I54-R401 HydrophobicContact CG1-CG 4.21Å; I54-R401 PolarHBondContact N-O 2.97Å; I54-R401 PolarHBondContact O-N 3.03Å; L272-R401 HydrophobicContact CD2-CB 3.72Å; L272-R401 HydrophobicContact CD2-CG 4.4Å; E276-R401 WeakPolarHBondContact OE1-CD 3.47Å; E276-R401 IonicContact OE1-CZ 2.78Å; E276-R401 IonicContact OE1-NE 3.94Å; E276-R401 IonicContact OE1-NH1 2.88Å; E276-R401 PolarHBondContact OE1-NH1 2.74Å; E276-R401 IonicContact OE2-NH1 2.74Å; E276-R401 PolarHBondContact OE2-NH1 3.04Å; F384-R401 CarbonylContact O-C 3.57Å; F384-R401 VanDerWaalsContact O-CA 3.26Å; F384-R401 WeakPolarHBondContact O-CA 3.21Å; R401-M403 HydrophobicContact CG-CG 4.13Å; R401-M403 HydrophobicContact CG-SD 4.04Å
402	V	96.8	Very high	81.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.4	171.6	-179.5	0	0	0	0	107.5	F303 P383 F384 F386 P405	F303-V402 HydrophobicContact CD2-CG2 4.08Å; F303-V402 HydrophobicContact CE2-CG2 3.69Å; F303-V402 HydrophobicContact CZ-CG2 3.97Å; P383-V402 WeakPolarHBondContact CA-O 3.35Å; F384-V402 HydrophobicContact CD1-CB 4.26Å; F384-V402 HydrophobicContact CD2-CB 4.43Å; F384-V402 HydrophobicContact CD2-CG2 4.49Å; F384-V402 HydrophobicContact CE1-CB 3.75Å; F384-V402 HydrophobicContact CE1-CG1 4.03Å; F384-V402 HydrophobicContact CE1-CG2 4.25Å; F384-V402 HydrophobicContact CE2-CB 3.94Å; F384-V402 HydrophobicContact CE2-CG2 3.68Å; F384-V402 HydrophobicContact CZ-CB 3.58Å; F384-V402 HydrophobicContact CZ-CG1 4.09Å; F384-V402 HydrophobicContact CZ-CG2 3.54Å; F384-V402 PolarHBondContact N-O 2.9Å; F384-V402 PolarHBondContact O-N 3Å; F386-V402 HydrophobicContact CD1-CG2 4.19Å; F386-V402 HydrophobicContact CE1-CG2 4Å; V402-P405 HydrophobicContact CG1-CB 4.24Å
403	M	95.4	Very high	79	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.039	24%	0.243	C	C	.	.	S	Bend	trans	-87.5	-26.9	171.3	-56.8	-53.3	-63.3	0	0	111.4	Q51 E52 N53 F212 D215 L272 P383 R401	Q51-M403 VanDerWaalsContact O-CB 3.27Å; Q51-M403 WeakPolarHBondContact O-CB 3.33Å; Q51-M403 WeakPolarHBondContact O-CG 3.36Å; Q51-M403 VanDerWaalsContact OE1-CE 3.3Å; E52-M403 VanDerWaalsContact O-CG 3.29Å; E52-M403 WeakPolarHBondContact O-CG 3.17Å; N53-M403 PolarHBondContact OD1-N 3.07Å; F212-M403 WeakPolarHBondContact CE1-O 3.09Å; D215-M403 HydrophobicContact CB-CE 4.24Å; D215-M403 WeakPolarHBondContact OD2-CE 3.29Å; L272-M403 HydrophobicContact CD2-SD 3.95Å; P383-M403 HydrophobicContact CB-CE 3.88Å; P383-M403 HydrophobicContact CB-SD 3.88Å; P383-M403 HydrophobicContact CG-CE 3.97Å; P383-M403 HydrophobicContact CG-SD 4.45Å; R401-M403 HydrophobicContact CG-CG 4.13Å; R401-M403 HydrophobicContact CG-SD 4.04Å
404	T	91.9	Very high	76.6	Confident	36 Å²	36	48.9 Å²	48.9	22%	0.221	26%	0.257	C	S	.	.	S	Bend	trans	-151.2	121.8	173.4	-66.7	0	0	0	0	108.5	N53 R214 V220 E406	N53-T404 PolarHBondContact ND2-O 3.49Å; N53-T404 PolarHBondContact OD1-N 3.29Å; N53-T404 PolarHBondContact OD1-O 3.03Å; R214-T404 PolarHBondContact NE-OG1 2.86Å; R214-T404 VanDerWaalsContact NH2-CG2 3.25Å; R214-T404 PolarHBondContact NH2-OG1 3.29Å; V220-T404 HydrophobicContact CG2-CG2 4.22Å; T404-E406 PolarHBondContact O-N 3.42Å
405	P	86.8	Confident	74.5	Confident	5 Å²	5	54 Å²	54	3%	0.032	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.1	125.5	175.3	28	-32.6	0	0	0	109.9	F212 T222 P301 F303 V402 V407	F212-P405 HydrophobicContact CB-CG 4.31Å; F212-P405 HydrophobicContact CD1-CG 4.42Å; F212-P405 HydrophobicContact CD2-CG 3.83Å; F212-P405 HydrophobicContact CE2-CG 4.2Å; F212-P405 HydrophobicContact CG-CG 3.93Å; T222-P405 HydrophobicContact CG2-CG 4.18Å; P301-P405 HydrophobicContact CB-CB 3.98Å; P301-P405 HydrophobicContact CB-CG 4.35Å; F303-P405 HydrophobicContact CB-CB 3.83Å; V402-P405 HydrophobicContact CG1-CB 4.24Å; P405-V407 PolarHBondContact O-N 3.03Å
406	E	80.2	Confident	71.8	Confident	81 Å²	81	61.6 Å²	61.6	38%	0.379	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-72.8	126.9	168.8	-62.8	-177.4	179.3	0	0	108.9	F303 K304 T404 V408	F303-E406 WeakPolarHBondContact CA-O 3.15Å; K304-E406 WeakPolarHBondContact CE-OE2 3.45Å; K304-E406 PolarHBondContact N-O 2.82Å; K304-E406 WeakPolarHBondContact O-CB 3.25Å; T404-E406 PolarHBondContact O-N 3.42Å; E406-V408 PolarHBondContact O-N 3.48Å
407	V	74.6	Confident	68.9	Low	80 Å²	80	66.6 Å²	66.6	49%	0.485	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-68.3	117.7	-177.8	-179.3	0	0	0	0	109.3	P405 E409	P405-V407 PolarHBondContact O-N 3.03Å; V407-E409 PolarHBondContact O-N 2.63Å
408	V	67.3	Low	65.9	Low	24 Å²	24	77 Å²	77	15%	0.145	41%	0.412	C	S	.	.			trans	-89.3	101.1	167.9	-176.1	0	0	0	0	107.9	R302 K304 E406	R302-V408 HydrophobicContact CG-CB 4.15Å; K304-V408 HydrophobicContact CB-CG2 3.71Å; E406-V408 PolarHBondContact O-N 3.48Å
409	E	60.3	Low	64.4	Low	134 Å²	134	80.9 Å²	80.9	63%	0.626	43%	0.433	S	S	*	.			trans	-58.3	137.8	174.7	-74.1	-97.8	162.9	0	0	109.9	V407 F411	V407-E409 PolarHBondContact O-N 2.63Å; E409-F411 PolarHBondContact O-N 2.81Å
410	P	50.8	Low	62.6	Low	78 Å²	78	85.2 Å²	85.2	51%	0.506	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-1.9	179.7	20.1	-26.8	0	0	0	115
411	F	39.9	Very low	60.7	Low	155 Å²	155	89.9 Å²	89.9	68%	0.68	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	31.4	-174.6	-66.5	-74	0	0	0	114.4	E409 H413	E409-F411 PolarHBondContact O-N 2.81Å; F411-H413 PolarHBondContact O-N 3.15Å
412	D	36.6	Very low	58.6	Low	140 Å²	140	94.9 Å²	94.9	75%	0.749	51%	0.509	S	S	*	.			trans	-76.4	69	164	-133	0.9	0	0	0	109.2	D414	D412-D414 VanDerWaalsContact C-N 3.25Å; D412-D414 PolarHBondContact O-N 2.93Å
413	H	37.1	Very low	56.2	Low	134 Å²	134	100.9 Å²	100.9	62%	0.62	54%	0.54	S	S	*	.			trans	-72.4	80.4	170.3	-83	-77.4	0	0	0	109.3	F411	F411-H413 PolarHBondContact O-N 3.15Å
414	D	36.7	Very low	53.6	Low	113 Å²	113	107.1 Å²	107.1	60%	0.604	57%	0.574	S	S	*	*			trans	-85	6.3	147.3	-106.5	3.8	0	0	0	110.4	R172 D412 D416	R172-D414 IonicContact CZ-OD2 3.69Å; R172-D414 IonicContact NH1-OD2 2.74Å; R172-D414 IonicContact NH2-OD2 2.91Å; R172-D414 PolarHBondContact NH2-OD2 2.6Å; D412-D414 VanDerWaalsContact C-N 3.25Å; D412-D414 PolarHBondContact O-N 2.93Å; D414-D416 PolarHBondContact O-N 3.5Å
415	F	42.8	Very low	50.8	Low	130 Å²	130	112.1 Å²	112.1	57%	0.57	60%	0.599	S	S	*	*			trans	-93.7	78.8	173.7	-69.4	-84.3	0	0	0	110.6
416	D	33.1	Very low	48	Very low	166 Å²	166	120.4 Å²	120.4	89%	0.888	64%	0.643	S	S	*	*			trans	175.9	74.3	145.1	-89.4	-18.3	0	0	0	109.6	D414	D414-D416 PolarHBondContact O-N 3.5Å
417	S	33	Very low	45.4	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	67%	0.665	S	S	*	*			trans	-151	75.5	155.5	67.1	0	0	0	0	111.6
418	V	32.5	Very low	42.7	Very low	222 Å²	222	127.6 Å²	127.6	100%	1.345	68%	0.681	S	S	*	*				-147.8	0	129.2	-177.8	0	0	0	0	108.8

Retrieved 418 of 418 residues in 1297.9 ms (Link to these results)

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