A0A060XSJ4_ONCMY Loading...

Hedgehog protein

The dually lipidated hedgehog protein N-product is a morphogen which is essential for a variety of patterning events during development. The C-terminal part of the hedgehog protein precursor displays an autoproteolysis activity that results in the cleavage of the full-length protein into two parts (N-product and C-product). In addition, the C-terminal part displays a cholesterol transferase activity that results by the covalent attachment of a cholesterol moiety to the C-terminal of the newly generated N-product.

AlphaFold DB , UniProt , Accession A0A060XSJ4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495566, Length 421 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	57.8	Low	60.6	Low	215 Å²	215	122.9 Å²	122.9	100%	1.059	66%	0.664	S	S	*	*				0	19.7	0	-61	-179.1	95	0	0	114
2	L	57.4	Low	60.7	Low	149 Å²	149	115.3 Å²	115.3	78%	0.78	64%	0.636	S	S	*	*			trans	-102	-21.3	-173.9	-86.7	147	0	0	0	115	L6	L2-L6 PolarHBondContact O-N 3.03Å
3	L	53.2	Low	60.6	Low	144 Å²	144	111.8 Å²	111.8	75%	0.754	62%	0.623	S	S	*	*	H	α-helix	trans	-64.1	-46	177.2	-112.7	90	0	0	0	115.1	R5 L6 V7	L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 2.79Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.25Å
4	P	55.2	Low	60.4	Low	85 Å²	85	108.6 Å²	108.6	55%	0.552	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-26.2	-175.1	24.4	-31.2	0	0	0	112.5	V8	P4-V8 VanDerWaalsContact O-CG2 3.28Å; P4-V8 WeakPolarHBondContact O-CG2 3.3Å; P4-V8 PolarHBondContact O-N 3.1Å
5	R	59.3	Low	60.4	Low	193 Å²	193	108.9 Å²	108.9	73%	0.728	62%	0.623	S	S	*	*	H	α-helix	trans	-74.3	-33.1	175.3	-71.5	-177	171.7	172.2	-2.3	112.6	L3 C9	L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.47Å; R5-C9 PolarHBondContact O-N 2.58Å; R5-C9 PolarHBondContact O-SG 2.87Å
6	L	62.9	Low	60.3	Low	113 Å²	113	111.1 Å²	111.1	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-70.2	-40.7	176.7	-154.7	101.5	0	0	0	111.4	L2 L3 C9 L10	L2-L6 PolarHBondContact O-N 3.03Å; L3-L6 PolarHBondContact O-N 2.79Å; L6-C9 PolarHBondContact O-N 3.45Å; L6-L10 HydrophobicContact CD2-CD1 3.89Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 2.99Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.09Å
7	V	65.9	Low	59.9	Low	94 Å²	94	112.6 Å²	112.6	57%	0.57	64%	0.635	S	S	*	*	H	α-helix	trans	-66.2	-40.5	177.8	176.6	0	0	0	0	111.3	L3 L10 A11	L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 3.03Å; V7-A11 VanDerWaalsContact O-CB 3.32Å; V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 3.37Å
8	V	66.3	Low	59.5	Low	108 Å²	108	110.8 Å²	110.8	66%	0.655	63%	0.631	S	S	*	*	H	α-helix	trans	-67.8	-38.6	176.3	173.4	0	0	0	0	111.6	P4 G12	P4-V8 VanDerWaalsContact O-CG2 3.28Å; P4-V8 WeakPolarHBondContact O-CG2 3.3Å; P4-V8 PolarHBondContact O-N 3.1Å; V8-G12 PolarHBondContact O-N 3.3Å
9	C	64.4	Low	59.1	Low	85 Å²	85	114.5 Å²	114.5	57%	0.574	64%	0.642	S	S	*	*	H	α-helix	trans	-66.5	-41.5	174.5	-71.4	0	0	0	0	112.2	R5 L6 G12 C13	R5-C9 PolarHBondContact O-N 2.58Å; R5-C9 PolarHBondContact O-SG 2.87Å; L6-C9 PolarHBondContact O-N 3.45Å; C9-G12 PolarHBondContact O-N 3.31Å; C9-C13 WeakPolarHBondContact O-CB 3.42Å; C9-C13 PolarHBondContact O-N 3.47Å; C9-C13 PolarHBondContact O-SG 1.99Å
10	L	62.7	Low	58.9	Low	110 Å²	110	115.8 Å²	115.8	58%	0.576	65%	0.652	S	S	*	*	H	α-helix	trans	-68.1	-38.4	178.3	-74	167.4	0	0	0	112.3	L6 V7 C13 A14	L6-L10 HydrophobicContact CD2-CD1 3.89Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 2.99Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.09Å; V7-L10 PolarHBondContact O-N 3.03Å; L10-C13 PolarHBondContact O-N 2.77Å; L10-A14 PolarHBondContact O-N 3.22Å; L10-A14 VanDerWaalsContact O-N 3.09Å
11	A	61.7	Low	59	Low	56 Å²	56	115.3 Å²	115.3	46%	0.463	66%	0.657	S	S	.	*	H	α-helix	trans	-67.1	-38.7	173.6	0	0	0	0	0	112.1	V7 A14 V15	V7-A11 VanDerWaalsContact O-CB 3.32Å; V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 3.37Å; A11-A14 PolarHBondContact O-N 2.81Å; A11-V15 WeakPolarHBondContact O-CG2 2.87Å; A11-V15 PolarHBondContact O-N 3.22Å
12	G	61.6	Low	58.8	Low	32 Å²	32	114 Å²	114	33%	0.33	65%	0.648	S	S	.	*	H	α-helix	trans	-64.7	-42	174.4	0	0	0	0	0	113	V8 C9 A14 V15 I16	V8-G12 PolarHBondContact O-N 3.3Å; C9-G12 PolarHBondContact O-N 3.31Å; G12-A14 VanDerWaalsContact C-N 3.35Å; G12-A14 PolarHBondContact O-N 2.88Å; G12-V15 PolarHBondContact O-N 2.85Å; G12-I16 WeakPolarHBondContact O-CG1 3.38Å; G12-I16 PolarHBondContact O-N 2.73Å
13	C	58.8	Low	58.7	Low	69 Å²	69	110 Å²	110	47%	0.466	64%	0.643	S	S	.	*	H	α-helix	trans	-66.7	-34.1	176.2	-70.6	0	0	0	0	112.6	C9 L10 V15 I16 L17	C9-C13 WeakPolarHBondContact O-CB 3.42Å; C9-C13 PolarHBondContact O-N 3.47Å; C9-C13 PolarHBondContact O-SG 1.99Å; L10-C13 PolarHBondContact O-N 2.77Å; C13-V15 VanDerWaalsContact C-N 3.32Å; C13-V15 PolarHBondContact O-N 3.47Å; C13-I16 PolarHBondContact O-N 2.91Å; C13-L17 HydrophobicContact CB-CD1 4.45Å; C13-L17 VanDerWaalsContact O-CB 3.31Å; C13-L17 WeakPolarHBondContact O-CB 3.43Å; C13-L17 WeakPolarHBondContact O-CD1 3.37Å; C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.28Å; C13-L17 PolarHBondContact O-N 2.92Å
14	A	58.5	Low	59.4	Low	68 Å²	68	109.4 Å²	109.4	56%	0.562	65%	0.649	S	S	*	*	H	α-helix	trans	-67.7	-29.3	176.9	0	0	0	0	0	113.4	L10 A11 G12	L10-A14 PolarHBondContact O-N 3.22Å; L10-A14 VanDerWaalsContact O-N 3.09Å; A11-A14 PolarHBondContact O-N 2.81Å; G12-A14 VanDerWaalsContact C-N 3.35Å; G12-A14 PolarHBondContact O-N 2.88Å
15	V	59.5	Low	59.9	Low	112 Å²	112	107.9 Å²	107.9	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-83	-25.4	177.9	176.3	0	0	0	0	112.2	A11 G12 C13 S18	A11-V15 WeakPolarHBondContact O-CG2 2.87Å; A11-V15 PolarHBondContact O-N 3.22Å; G12-V15 PolarHBondContact O-N 2.85Å; C13-V15 VanDerWaalsContact C-N 3.32Å; C13-V15 PolarHBondContact O-N 3.47Å; V15-S18 PolarHBondContact O-OG 3.26Å; V15-S18 VanDerWaalsContact O-OG 3.13Å
16	I	59.3	Low	60.5	Low	144 Å²	144	105.3 Å²	105.3	74%	0.738	66%	0.658	S	S	*	*	H	α-helix	trans	-88.6	-24	179.3	-61.8	168.5	0	0	0	111.7	G12 C13	G12-I16 WeakPolarHBondContact O-CG1 3.38Å; G12-I16 PolarHBondContact O-N 2.73Å; C13-I16 PolarHBondContact O-N 2.91Å
17	L	53.4	Low	60.7	Low	137 Å²	137	103.1 Å²	103.1	72%	0.717	66%	0.662	S	S	*	*	S	Bend	trans	-94.8	4.3	-179.5	-67.4	168.5	0	0	0	114.1	C13 Q19	C13-L17 HydrophobicContact CB-CD1 4.45Å; C13-L17 VanDerWaalsContact O-CB 3.31Å; C13-L17 WeakPolarHBondContact O-CB 3.43Å; C13-L17 WeakPolarHBondContact O-CD1 3.37Å; C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.28Å; C13-L17 PolarHBondContact O-N 2.92Å; L17-Q19 PolarHBondContact O-N 2.95Å
18	S	52.3	Low	60.6	Low	80 Å²	80	110.5 Å²	110.5	56%	0.559	68%	0.68	S	S	*	*			trans	-72.3	95.4	168.8	50.6	0	0	0	0	109.2	V15 V20	V15-S18 PolarHBondContact O-OG 3.26Å; V15-S18 VanDerWaalsContact O-OG 3.13Å; S18-V20 PolarHBondContact O-N 2.88Å
19	Q	53.3	Low	60.2	Low	182 Å²	182	108.9 Å²	108.9	85%	0.85	68%	0.684	S	S	*	*			trans	-55.1	124	172.2	-65.4	-160	-30.1	0	0	109.6	L17 S21	L17-Q19 PolarHBondContact O-N 2.95Å; Q19-S21 PolarHBondContact O-N 2.8Å
20	V	54.7	Low	60	Low	139 Å²	139	116.8 Å²	116.8	84%	0.842	70%	0.704	S	S	*	*			trans	-63.4	94.3	164.5	-176.4	0	0	0	0	105.9	S18 E22	S18-V20 PolarHBondContact O-N 2.88Å; V20-E22 PolarHBondContact O-N 3.31Å
21	S	60.3	Low	59.9	Low	106 Å²	106	114.7 Å²	114.7	74%	0.741	71%	0.709	S	S	*	*			trans	-70.6	113.7	167.4	47.6	0	0	0	0	106.8	Q19 G23	Q19-S21 PolarHBondContact O-N 2.8Å; S21-G23 PolarHBondContact O-N 2.86Å
22	E	54.2	Low	59.5	Low	187 Å²	187	122 Å²	122	87%	0.874	73%	0.731	S	S	*	*			trans	-66.4	83.8	161.9	-72.6	-164	161.7	0	0	107.6	V20 C24	V20-E22 PolarHBondContact O-N 3.31Å; E22-C24 PolarHBondContact O-N 3.29Å
23	G	54.6	Low	59.4	Low	65 Å²	65	131.7 Å²	131.7	67%	0.67	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.5	167.7	0	0	0	0	0	108	S21 G25	S21-G23 PolarHBondContact O-N 2.86Å; G23-G25 PolarHBondContact O-N 3.23Å; G23-G25 VanDerWaalsContact O-N 3.09Å
24	C	67.9	Low	59.1	Low	132 Å²	132	139.8 Å²	139.8	89%	0.892	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-53.2	121	164.8	-60.1	0	0	0	0	107.6	E22	E22-C24 PolarHBondContact O-N 3.29Å
25	G	66.1	Low	58.9	Low	54 Å²	54	141.5 Å²	141.5	56%	0.557	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-53	162.7	176.8	0	0	0	0	0	111.7	G23 G27	G23-G25 PolarHBondContact O-N 3.23Å; G23-G25 VanDerWaalsContact O-N 3.09Å; G25-G27 PolarHBondContact O-N 3.24Å
26	P	71.2	Confident	59.3	Low	139 Å²	139	141.6 Å²	141.6	90%	0.903	79%	0.789	S	S	*	*	S	Bend	trans	-49.5	117.8	-177.1	22.1	-32.9	0	0	0	109.2
27	G	67.4	Low	59.7	Low	66 Å²	66	144.8 Å²	144.8	68%	0.68	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-56.3	167.7	-175.2	0	0	0	0	0	112.4	G25 G29	G25-G27 PolarHBondContact O-N 3.24Å; G27-G29 PolarHBondContact O-N 3.15Å
28	R	63.8	Low	60.9	Low	250 Å²	250	147.9 Å²	147.9	94%	0.943	80%	0.799	S	S	*	*			trans	-46.7	109.9	-179.5	-81.4	-178.3	174.5	178.2	-0.3	111.1	Y30	R28-Y30 PolarHBondContact O-N 3.4Å
29	G	59.3	Low	62.6	Low	73 Å²	73	147 Å²	147	75%	0.753	79%	0.788	S	S	*	*			trans	-61.9	132	175	0	0	0	0	0	110.6	G27 G31	G27-G29 PolarHBondContact O-N 3.15Å; G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 2.88Å
30	Y	58.9	Low	64.4	Low	251 Å²	251	140.9 Å²	140.9	98%	0.984	77%	0.769	S	S	*	*			trans	-73.4	89.2	169.1	-78.3	-89.4	0	0	0	108.9	R28	R28-Y30 PolarHBondContact O-N 3.4Å
31	G	60.7	Low	66.4	Low	67 Å²	67	137.6 Å²	137.6	69%	0.691	75%	0.75	S	S	*	*			trans	-126.6	112.9	173.5	0	0	0	0	0	110	G29 R33	G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 2.88Å; G31-R33 PolarHBondContact O-N 3.39Å
32	K	53	Low	68	Low	210 Å²	210	132.7 Å²	132.7	91%	0.913	72%	0.715	S	S	*	*			trans	-77.7	109.5	171.2	-153.3	174.2	-173.5	178.5	0	107.3	R34	K32-R34 PolarHBondContact O-N 3.41Å
33	R	59.3	Low	70.1	Confident	234 Å²	234	126.6 Å²	126.6	88%	0.883	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.2	173.3	-173.4	177	-178.7	179.6	0.7	107.8	G31 S35	G31-R33 PolarHBondContact O-N 3.39Å; R33-S35 PolarHBondContact O-N 3.2Å; R33-S35 VanDerWaalsContact O-N 3.08Å
34	R	52.9	Low	72.1	Confident	239 Å²	239	128.9 Å²	128.9	90%	0.902	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-53.7	121	173.5	-74.1	-176.7	178.6	178.2	-0.6	107.6	K32	K32-R34 PolarHBondContact O-N 3.41Å
35	S	54.9	Low	73.5	Confident	105 Å²	105	127.3 Å²	127.3	73%	0.734	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.7	176.4	54.3	0	0	0	0	108.1	R33	R33-S35 PolarHBondContact O-N 3.2Å; R33-S35 VanDerWaalsContact O-N 3.08Å
36	P	66.9	Low	74.9	Confident	114 Å²	114	128.9 Å²	128.9	74%	0.74	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-56.1	144	172.3	23.4	-30.8	0	0	0	109.3	K38	P36-K38 PolarHBondContact O-N 3.41Å
37	R	69.3	Low	76	Confident	210 Å²	210	125.1 Å²	125.1	79%	0.792	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.2	128.3	172.9	-82.5	-176	176.8	170.8	0.4	108.1	L39	R37-L39 PolarHBondContact O-N 2.59Å; R37-L39 VanDerWaalsContact O-N 3.17Å
38	K	77.5	Confident	77.2	Confident	203 Å²	203	123.4 Å²	123.4	88%	0.883	60%	0.604	S	S	*	*			trans	-73.2	108.9	-179.1	-170	177.7	-179	-177.7	0	108.6	P36 A40	P36-K38 PolarHBondContact O-N 3.41Å; K38-A40 PolarHBondContact O-N 3.47Å
39	L	87.9	Confident	78.3	Confident	62 Å²	62	113.8 Å²	113.8	33%	0.325	57%	0.574	S	S	.	*			trans	-74.6	108.5	175.5	-61.8	178.2	0	0	0	109.3	R37 M160 R163 L164 E167	R37-L39 PolarHBondContact O-N 2.59Å; R37-L39 VanDerWaalsContact O-N 3.17Å; L39-M160 HydrophobicContact CB-CE 4.43Å; L39-M160 HydrophobicContact CB-SD 4.14Å; L39-R163 HydrophobicContact CB-CG 3.92Å; L39-R163 HydrophobicContact CD2-CG 4.09Å; L39-L164 HydrophobicContact CD1-CD2 4.12Å; L39-E167 HydrophobicContact CD2-CG 3.62Å
40	A	92.1	Very high	80	Confident	53 Å²	53	116.8 Å²	116.8	44%	0.438	57%	0.573	S	S	.	*			trans	-93.6	115.3	175.8	0	0	0	0	0	109.9	K38 R163	K38-A40 PolarHBondContact O-N 3.47Å; A40-R163 PolarHBondContact O-NE 3.41Å; A40-R163 PolarHBondContact O-NH2 2.94Å
41	P	95.3	Very high	81.2	Confident	70 Å²	70	107.7 Å²	107.7	46%	0.455	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-54.3	148.3	177.8	-23.4	32.5	0	0	0	112.3	A159 M160	P41-A159 WeakPolarHBondContact CA-O 3.14Å; P41-A159 HydrophobicContact CB-CB 3.73Å; P41-M160 HydrophobicContact CG-CE 3.8Å; P41-M160 HydrophobicContact CG-SD 4.47Å
42	L	95.8	Very high	82.6	Confident	2 Å²	2	107.5 Å²	107.5	1%	0.01	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-76	139	170.7	-87.2	66.4	0	0	0	109.5	Q46 A159 A162 R163 V166 V173	L42-Q46 HydrophobicContact CB-CB 4.46Å; L42-Q46 HydrophobicContact CG-CG 4.46Å; L42-A159 PolarHBondContact N-O 2.88Å; L42-A159 VanDerWaalsContact O-CB 3.27Å; L42-A159 WeakPolarHBondContact O-CB 3.44Å; L42-A162 HydrophobicContact CB-CB 3.94Å; L42-A162 HydrophobicContact CD1-CB 4.48Å; L42-A162 HydrophobicContact CD2-CB 4.06Å; L42-A162 HydrophobicContact CG-CB 4.37Å; L42-R163 HydrophobicContact CD1-CB 4.13Å; L42-V166 HydrophobicContact CD1-CG2 4.25Å; L42-V166 HydrophobicContact CD2-CG2 4.46Å; L42-V173 HydrophobicContact CD2-CG1 4.23Å
43	A	96.5	Very high	84.5	Confident	59 Å²	59	99.1 Å²	99.1	49%	0.488	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-71.1	157.2	171	0	0	0	0	0	110.9	K45 Q46	A43-K45 PolarHBondContact O-N 3.29Å; A43-Q46 HydrophobicContact CB-CB 4.17Å; A43-Q46 WeakPolarHBondContact O-CB 3.28Å; A43-Q46 PolarHBondContact O-N 2.99Å
44	Y	96.9	Very high	86	Confident	113 Å²	113	91.1 Å²	91.1	44%	0.443	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	135.7	171.9	177.8	-123	0	0	0	110.2	Q46 Y175 K178	Y44-Q46 PolarHBondContact O-N 3.28Å; Y44-Y175 HydrophobicContact CD2-CD2 4.19Å; Y44-Y175 HydrophobicContact CD2-CE2 4.29Å; Y44-Y175 HydrophobicContact CD2-CG 4.49Å; Y44-K178 HydrophobicContact CD2-CG 4.48Å; Y44-K178 HydrophobicContact CE2-CG 4.03Å
45	K	97	Very high	87	Confident	99 Å²	99	82.3 Å²	82.3	43%	0.43	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	9.3	-173.1	-60.7	-64.9	-167.5	179.2	0	115.7	A43 Y174 Y175 E176	A43-K45 PolarHBondContact O-N 3.29Å; K45-Y174 HydrophobicContact CD-CE2 4.21Å; K45-Y174 VanDerWaalsContact CD-OH 3.29Å; K45-Y174 WeakPolarHBondContact CD-OH 3.15Å; K45-Y174 PolarHBondContact NZ-OH 3.19Å; K45-Y175 WeakPolarHBondContact CA-O 3.33Å; K45-Y175 PolarHBondContact N-O 2.71Å; K45-E176 WeakPolarHBondContact CD-O 3.43Å; K45-E176 VanDerWaalsContact CE-O 3.24Å; K45-E176 WeakPolarHBondContact CE-O 3.5Å; K45-E176 PolarHBondContact NZ-O 2.65Å
46	Q	96.6	Very high	87.4	Confident	87 Å²	87	80.2 Å²	80.2	41%	0.407	42%	0.424	S	S	.	.			trans	-84	141.8	170.8	-171.2	177.8	5.8	0	0	110.8	L42 A43 Y44 Y175	L42-Q46 HydrophobicContact CB-CB 4.46Å; L42-Q46 HydrophobicContact CG-CG 4.46Å; A43-Q46 HydrophobicContact CB-CB 4.17Å; A43-Q46 WeakPolarHBondContact O-CB 3.28Å; A43-Q46 PolarHBondContact O-N 2.99Å; Y44-Q46 PolarHBondContact O-N 3.28Å; Q46-Y175 PolarHBondContact O-N 3.41Å
47	F	94.8	Very high	87.5	Confident	61 Å²	61	77.4 Å²	77.4	27%	0.268	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.3	169.4	48.9	-88.1	0	0	0	111.7	P49 N50 V51 W172 V173 Y174	F47-P49 WeakPolarHBondContact CD2-O 3.45Å; F47-N50 VanDerWaalsContact CE2-OD1 3.27Å; F47-N50 WeakPolarHBondContact CE2-OD1 3.44Å; F47-V51 WeakPolarHBondContact CD2-O 3.48Å; F47-V51 WeakPolarHBondContact CE2-O 3.11Å; F47-W172 HydrophobicContact CB-CH2 4.2Å; F47-W172 HydrophobicContact CB-CZ2 3.43Å; F47-W172 VanDerWaalsContact CB-CZ2 3.43Å; F47-W172 HydrophobicContact CD1-CZ2 4.25Å; F47-W172 AromaticContact CD2-CZ2 3.98Å; F47-W172 HydrophobicContact CD2-CZ2 3.98Å; F47-W172 AromaticContact CD2-NE1 3.72Å; F47-W172 AromaticContact CG-CZ2 3.63Å; F47-W172 HydrophobicContact CG-CZ2 3.63Å; F47-V173 CarbonylContact C-O 3.44Å; F47-V173 WeakPolarHBondContact CA-O 3.46Å; F47-V173 WeakPolarHBondContact CB-O 3.43Å; F47-Y174 HydrophobicContact CB-CD2 3.84Å; F47-Y174 HydrophobicContact CB-CG 4.19Å; F47-Y174 HydrophobicContact CD1-CD2 4.06Å; F47-Y174 HydrophobicContact CD1-CE2 4.23Å; F47-Y174 HydrophobicContact CG-CD2 4.45Å
48	S	91.6	Very high	88.3	Confident	29 Å²	29	67.5 Å²	67.5	20%	0.203	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.7	179.9	179.5	0	0	0	0	109.7	W172 V173	S48-W172 WeakPolarHBondContact O-CA 3.18Å; S48-V173 PolarHBondContact N-O 2.78Å; S48-V173 PolarHBondContact O-N 2.74Å
49	P	88.3	Confident	88.8	Confident	48 Å²	48	57.8 Å²	57.8	31%	0.312	34%	0.337	S	S	.	.	S	Bend	cis	-64.3	159.6	-5.7	25	-30.4	0	0	0	112.4	F47 V51 G57 A58 D171	F47-P49 WeakPolarHBondContact CD2-O 3.45Å; P49-V51 HydrophobicContact CB-CG2 4.2Å; P49-V51 HydrophobicContact CG-CG2 3.91Å; P49-V51 PolarHBondContact O-N 3.25Å; P49-G57 WeakPolarHBondContact CG-O 3.25Å; P49-A58 HydrophobicContact CG-CB 4.25Å; P49-D171 WeakPolarHBondContact CD-O 3.41Å
50	N	93.3	Very high	88.5	Confident	137 Å²	137	55 Å²	55	73%	0.733	32%	0.323	S	S	*	.	S	Bend	trans	-76.9	58	-177	-170.4	25.9	0	0	0	112.3	F47	F47-N50 VanDerWaalsContact CE2-OD1 3.27Å; F47-N50 WeakPolarHBondContact CE2-OD1 3.44Å
51	V	85.8	Confident	88.2	Confident	59 Å²	59	61 Å²	61	36%	0.358	33%	0.334	S	S	.	.	S	Bend	trans	-139.7	163.6	173.9	-65.3	0	0	0	0	108.1	F47 P49 T55 A58 W172	F47-V51 WeakPolarHBondContact CD2-O 3.48Å; F47-V51 WeakPolarHBondContact CE2-O 3.11Å; P49-V51 HydrophobicContact CB-CG2 4.2Å; P49-V51 HydrophobicContact CG-CG2 3.91Å; P49-V51 PolarHBondContact O-N 3.25Å; V51-T55 VanDerWaalsContact CG2-OG1 3.26Å; V51-T55 WeakPolarHBondContact CG2-OG1 3.21Å; V51-A58 HydrophobicContact CG2-CB 3.86Å; V51-W172 PolarHBondContact O-NE1 2.8Å
52	A	90	Very high	87.9	Confident	64 Å²	64	60.7 Å²	60.7	53%	0.529	32%	0.324	S	S	.	.			trans	-63.5	145.9	178.5	0	0	0	0	0	111.2	K54 T55 A58	A52-K54 VanDerWaalsContact C-N 3.29Å; A52-K54 PolarHBondContact O-N 2.78Å; A52-T55 HydrophobicContact CB-CG2 3.74Å; A52-T55 WeakPolarHBondContact O-CB 3.29Å; A52-T55 WeakPolarHBondContact O-CG2 3.38Å; A52-T55 PolarHBondContact O-N 2.92Å; A52-T55 PolarHBondContact O-OG1 2.81Å; A52-A58 WeakPolarHBondContact O-CB 3.37Å
53	E	92.8	Very high	87.5	Confident	33 Å²	33	64.3 Å²	64.3	15%	0.154	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-48.5	-176.3	-178.6	-177.6	-161.4	0	0	113.1	T55 A58 S59 G60 L139 W172 H182 S184	E53-T55 PolarHBondContact O-N 2.99Å; E53-A58 WeakPolarHBondContact O-CB 3.31Å; E53-S59 PolarHBondContact O-N 2.88Å; E53-G60 PolarHBondContact O-N 2.85Å; E53-L139 HydrophobicContact CG-CD1 4.1Å; E53-L139 WeakPolarHBondContact OE1-CD1 3.48Å; E53-W172 HydrophobicContact CB-CD2 3.66Å; E53-W172 HydrophobicContact CB-CE3 3.69Å; E53-W172 HydrophobicContact CB-CG 4.21Å; E53-W172 HydrophobicContact CB-CH2 4Å; E53-W172 HydrophobicContact CB-CZ2 3.99Å; E53-W172 HydrophobicContact CB-CZ3 3.85Å; E53-W172 HydrophobicContact CG-CB 4.43Å; E53-W172 HydrophobicContact CG-CD2 3.82Å; E53-W172 HydrophobicContact CG-CE3 3.57Å; E53-W172 HydrophobicContact CG-CG 4.22Å; E53-W172 HydrophobicContact CG-CZ3 4Å; E53-H182 IonicContact OE1-CE1 2.94Å; E53-H182 IonicContact OE1-NE2 3.51Å; E53-H182 PolarHBondContact OE1-NE2 2.75Å; E53-S184 WeakPolarHBondContact CG-OG 3.49Å; E53-S184 VanDerWaalsContact OE1-CB 3.24Å; E53-S184 WeakPolarHBondContact OE1-CB 3.03Å; E53-S184 PolarHBondContact OE1-OG 3.19Å
54	K	89.8	Confident	87.1	Confident	67 Å²	67	62.5 Å²	62.5	29%	0.291	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	10.8	-174.5	-67.1	177.2	-74.8	-168.7	0	114.3	A52 G60 E137	A52-K54 VanDerWaalsContact C-N 3.29Å; A52-K54 PolarHBondContact O-N 2.78Å; K54-G60 VanDerWaalsContact CA-O 3.29Å; K54-G60 WeakPolarHBondContact CA-O 3.22Å; K54-G60 CarbonylContact O-C 3.5Å; K54-E137 HydrophobicContact CD-CB 4.41Å; K54-E137 PolarHBondContact NZ-O 3.25Å; K54-E137 IonicContact NZ-OE2 3.93Å; K54-E137 PolarHBondContact NZ-OE2 2.83Å
55	T	74.3	Confident	87	Confident	53 Å²	53	60.9 Å²	60.9	33%	0.325	32%	0.323	S	S	.	.	S	Bend	trans	-82.1	157.8	173.6	66.8	0	0	0	0	111.2	V51 A52 E53 G57 A58 G60	V51-T55 VanDerWaalsContact CG2-OG1 3.26Å; V51-T55 WeakPolarHBondContact CG2-OG1 3.21Å; A52-T55 HydrophobicContact CB-CG2 3.74Å; A52-T55 WeakPolarHBondContact O-CB 3.29Å; A52-T55 WeakPolarHBondContact O-CG2 3.38Å; A52-T55 PolarHBondContact O-N 2.92Å; A52-T55 PolarHBondContact O-OG1 2.81Å; E53-T55 PolarHBondContact O-N 2.99Å; T55-G57 PolarHBondContact O-N 3.04Å; T55-A58 CarbonylContact O-C 3.56Å; T55-A58 PolarHBondContact O-N 2.93Å; T55-G60 WeakPolarHBondContact O-CA 3.2Å; T55-G60 PolarHBondContact O-N 2.99Å
56	L	63.4	Low	86.9	Confident	62 Å²	62	56.2 Å²	56.2	33%	0.325	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.7	178.3	-64.1	175.7	0	0	0	113.2	A58 K186	L56-A58 PolarHBondContact O-N 2.89Å; L56-K186 PolarHBondContact O-NZ 3.1Å
57	G	68.9	Low	86.8	Confident	55 Å²	55	54.8 Å²	54.8	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.7	175	0	0	0	0	0	114.2	P49 T55	P49-G57 WeakPolarHBondContact CG-O 3.25Å; T55-G57 PolarHBondContact O-N 3.04Å
58	A	85.6	Confident	86.7	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-132.6	-176.3	0	0	0	0	0	110.3	P49 V51 A52 E53 T55 L56 G60 D171 W172 K186	P49-A58 HydrophobicContact CG-CB 4.25Å; V51-A58 HydrophobicContact CG2-CB 3.86Å; A52-A58 WeakPolarHBondContact O-CB 3.37Å; E53-A58 WeakPolarHBondContact O-CB 3.31Å; T55-A58 CarbonylContact O-C 3.56Å; T55-A58 PolarHBondContact O-N 2.93Å; L56-A58 PolarHBondContact O-N 2.89Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 3.31Å; A58-D171 WeakPolarHBondContact CA-O 3.29Å; A58-W172 HydrophobicContact CB-CB 4.03Å; A58-W172 VanDerWaalsContact CB-CD1 3.44Å; A58-W172 HydrophobicContact CB-CG 3.99Å; A58-K186 WeakPolarHBondContact O-CE 3.41Å; A58-K186 WeakPolarHBondContact O-CG 3.32Å; A58-K186 PolarHBondContact O-NZ 2.98Å
59	S	88.1	Confident	86.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10	-177.2	-61.2	0	0	0	0	113.8	E53 L139 R144 W172 S184 K186	E53-S59 PolarHBondContact O-N 2.88Å; S59-L139 VanDerWaalsContact CB-CD1 3.45Å; S59-R144 PolarHBondContact O-NH2 3.36Å; S59-W172 WeakPolarHBondContact OG-CB 3.47Å; S59-S184 WeakPolarHBondContact CB-OG 3.48Å; S59-S184 VanDerWaalsContact OG-C 3.25Å; S59-S184 PolarHBondContact OG-O 2.84Å; S59-S184 PolarHBondContact OG-OG 2.76Å; S59-K186 VanDerWaalsContact O-CA 3.27Å; S59-K186 WeakPolarHBondContact O-CA 3.17Å
60	G	82.6	Confident	86.9	Confident	3 Å²	3	61.1 Å²	61.1	3%	0.031	33%	0.331	C	S	.	.			trans	75.5	176.7	178.2	0	0	0	0	0	113.5	E53 K54 T55 A58	E53-G60 PolarHBondContact O-N 2.85Å; K54-G60 VanDerWaalsContact CA-O 3.29Å; K54-G60 WeakPolarHBondContact CA-O 3.22Å; K54-G60 CarbonylContact O-C 3.5Å; T55-G60 WeakPolarHBondContact O-CA 3.2Å; T55-G60 PolarHBondContact O-N 2.99Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 3.31Å
61	R	85.9	Confident	86.6	Confident	178 Å²	178	61.1 Å²	61.1	67%	0.672	33%	0.327	S	S	*	.			trans	-64.3	155	-168.7	-65.3	-177.7	-179.8	174.6	2.3	112.7	R144	R61-R144 PolarHBondContact O-NH1 2.9Å; R61-R144 PolarHBondContact O-NH2 3.03Å
62	Y	89.1	Confident	86.5	Confident	64 Å²	64	61 Å²	61	25%	0.251	32%	0.32	S	S	.	.			trans	-71	133.4	163.8	173.2	-95.8	0	0	0	108.9	G64 K65 E137 Y141 E142	Y62-G64 VanDerWaalsContact CE1-CA 3.43Å; Y62-G64 VanDerWaalsContact CZ-CA 3.46Å; Y62-K65 WeakPolarHBondContact OH-CB 3.21Å; Y62-K65 PolarHBondContact OH-N 3.13Å; Y62-E137 HydrophobicContact CD1-CB 4.2Å; Y62-E137 HydrophobicContact CD1-CG 4.1Å; Y62-E137 HydrophobicContact CD2-CB 4.31Å; Y62-E137 HydrophobicContact CE1-CG 4.48Å; Y62-E137 HydrophobicContact CG-CB 3.98Å; Y62-E137 HydrophobicContact CG-CG 4.38Å; Y62-Y141 HydrophobicContact CE2-CD2 4.42Å; Y62-E142 HydrophobicContact CD2-CG 4.45Å; Y62-E142 WeakPolarHBondContact CD2-OE1 3.41Å; Y62-E142 HydrophobicContact CE2-CG 4.35Å; Y62-E142 WeakPolarHBondContact CE2-OE1 3.24Å
63	E	86.4	Confident	86.6	Confident	79 Å²	79	60 Å²	60	37%	0.369	30%	0.304	S	S	.	.			trans	-106.9	-14.5	-176.9	-66.2	177.8	177.6	0	0	112.8	R72 E142 S187 H189	E63-R72 IonicContact OE2-NH2 3.43Å; E63-R72 PolarHBondContact OE2-NH2 3.27Å; E63-E142 WeakPolarHBondContact CA-OE1 3.43Å; E63-E142 PolarHBondContact N-OE1 3.04Å; E63-S187 VanDerWaalsContact CD-CB 3.48Å; E63-S187 WeakPolarHBondContact OE1-CB 3.48Å; E63-S187 PolarHBondContact OE1-OG 3.26Å; E63-S187 PolarHBondContact OE2-OG 3.37Å; E63-H189 IonicContact OE2-CD2 3.73Å; E63-H189 PolarHBondContact OE2-CD2 2.99Å; E63-H189 VanDerWaalsContact OE2-CD2 3.29Å; E63-H189 IonicContact OE2-CG 3.82Å
64	G	89.3	Confident	86.4	Confident	20 Å²	20	65.9 Å²	65.9	21%	0.206	33%	0.329	C	S	.	.			trans	127	144.3	177.7	0	0	0	0	0	112.7	Y62 I66 R72 E142	Y62-G64 VanDerWaalsContact CE1-CA 3.43Å; Y62-G64 VanDerWaalsContact CZ-CA 3.46Å; G64-I66 PolarHBondContact O-N 3.34Å; G64-R72 PolarHBondContact O-NH1 2.83Å; G64-E142 PolarHBondContact N-OE1 3.03Å; G64-E142 VanDerWaalsContact O-CG 3.28Å; G64-E142 WeakPolarHBondContact O-CG 3.38Å
65	K	94.6	Very high	86.1	Confident	80 Å²	80	65.9 Å²	65.9	35%	0.348	33%	0.33	S	S	.	.			trans	-58.3	128.4	-178.7	176.4	164.1	-174.1	175.6	0	110.8	Y62 T67 E130 Y141	Y62-K65 WeakPolarHBondContact OH-CB 3.21Å; Y62-K65 PolarHBondContact OH-N 3.13Å; K65-T67 HydrophobicContact CG-CG2 4.28Å; K65-E130 PolarHBondContact NZ-O 3.27Å; K65-Y141 HydrophobicContact CD-CD1 4.16Å; K65-Y141 HydrophobicContact CD-CG 4.16Å; K65-Y141 HydrophobicContact CG-CG 4.28Å
66	I	94.4	Very high	87	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.317	C	S	.	.			trans	-88.9	127.1	170.1	-60.2	-179.6	0	0	0	107.3	G64 S70 R72 F73 L76 W128 Y141 E142	G64-I66 PolarHBondContact O-N 3.34Å; I66-S70 WeakPolarHBondContact CG2-OG 3.36Å; I66-R72 HydrophobicContact CD1-CB 4.1Å; I66-R72 HydrophobicContact CG1-CB 3.96Å; I66-R72 HydrophobicContact CG2-CB 4.4Å; I66-F73 HydrophobicContact CG2-CB 4.04Å; I66-F73 HydrophobicContact CG2-CD2 4.07Å; I66-L76 HydrophobicContact CD1-CD2 4.14Å; I66-L76 HydrophobicContact CD1-CG 4.33Å; I66-L76 HydrophobicContact CG2-CD1 4.07Å; I66-W128 VanDerWaalsContact O-CZ2 3.29Å; I66-W128 WeakPolarHBondContact O-CZ2 3.21Å; I66-W128 PolarHBondContact O-NE1 2.83Å; I66-W128 VanDerWaalsContact O-NE1 3.12Å; I66-Y141 PolarHBondContact N-O 3.35Å; I66-E142 HydrophobicContact CD1-CB 4.38Å
67	T	94.8	Very high	88.3	Confident	56 Å²	56	62.7 Å²	62.7	34%	0.344	31%	0.313	S	S	.	.			trans	-112.2	159.3	173.8	66.6	0	0	0	0	109.7	K65 T69 S70 F73	K65-T67 HydrophobicContact CG-CG2 4.28Å; T67-T69 PolarHBondContact O-N 3.34Å; T67-T69 PolarHBondContact OG1-OG1 2.84Å; T67-S70 PolarHBondContact N-OG 2.78Å; T67-S70 VanDerWaalsContact N-OG 3.13Å; T67-S70 WeakPolarHBondContact O-CB 3.23Å; T67-S70 PolarHBondContact O-N 3.07Å; T67-S70 PolarHBondContact O-OG 2.62Å; T67-S70 PolarHBondContact OG1-N 2.79Å; T67-F73 WeakPolarHBondContact O-CB 3.44Å
68	R	92.8	Very high	89.6	Confident	106 Å²	106	62.3 Å²	62.3	40%	0.4	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	178.5	-66.7	-168.2	171.4	-97.1	-2	114.1	F73 T92 W128 E130	R68-F73 HydrophobicContact CG-CE2 4.49Å; R68-T92 PolarHBondContact NH2-O 3.01Å; R68-W128 HydrophobicContact CG-CH2 3.51Å; R68-W128 HydrophobicContact CG-CZ3 4.16Å; R68-E130 IonicContact CZ-OE1 3.04Å; R68-E130 VanDerWaalsContact CZ-OE1 3.26Å; R68-E130 IonicContact CZ-OE2 2.56Å; R68-E130 IonicContact NE-OE1 3.89Å; R68-E130 PolarHBondContact NE-OE1 3.05Å; R68-E130 IonicContact NE-OE2 2.68Å; R68-E130 PolarHBondContact NE-OE2 3.22Å; R68-E130 IonicContact NH2-OE1 3.26Å; R68-E130 PolarHBondContact NH2-OE1 3.44Å; R68-E130 IonicContact NH2-OE2 2.72Å
69	T	92.4	Very high	90.1	Very high	132 Å²	132	62.4 Å²	62.4	81%	0.81	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.7	-178.1	53.4	0	0	0	0	113.6	T67	T67-T69 PolarHBondContact O-N 3.34Å; T67-T69 PolarHBondContact OG1-OG1 2.84Å
70	S	90.3	Very high	90.5	Very high	33 Å²	33	70.4 Å²	70.4	23%	0.231	33%	0.332	C	S	.	.	S	Bend	trans	-76.5	147.5	180	70.6	0	0	0	0	111.9	I66 T67 R72 F73	I66-S70 WeakPolarHBondContact CG2-OG 3.36Å; T67-S70 PolarHBondContact N-OG 2.78Å; T67-S70 VanDerWaalsContact N-OG 3.13Å; T67-S70 WeakPolarHBondContact O-CB 3.23Å; T67-S70 PolarHBondContact O-N 3.07Å; T67-S70 PolarHBondContact O-OG 2.62Å; T67-S70 PolarHBondContact OG1-N 2.79Å; S70-R72 PolarHBondContact O-N 2.96Å; S70-F73 WeakPolarHBondContact O-CB 3.26Å; S70-F73 PolarHBondContact O-N 2.88Å; S70-F73 PolarHBondContact OG-N 2.85Å
71	E	87.1	Confident	91	Very high	137 Å²	137	71.6 Å²	71.6	64%	0.64	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35	174.8	-74.1	-61.9	142.8	0	0	112.4	F73 K74	E71-F73 PolarHBondContact O-N 3.49Å; E71-K74 WeakPolarHBondContact O-CB 3.46Å; E71-K74 PolarHBondContact O-N 3.13Å; E71-K74 IonicContact OE1-NZ 3.06Å; E71-K74 WeakPolarHBondContact OE2-CE 3.45Å; E71-K74 IonicContact OE2-NZ 2.75Å; E71-K74 PolarHBondContact OE2-NZ 2.91Å
72	R	85	Confident	91.5	Very high	57 Å²	57	67.7 Å²	67.7	22%	0.215	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65.8	-14.5	177	-68.2	-177.3	64.8	-153.5	-0.7	113.6	E63 G64 I66 S70 K74 E75 E142	E63-R72 IonicContact OE2-NH2 3.43Å; E63-R72 PolarHBondContact OE2-NH2 3.27Å; G64-R72 PolarHBondContact O-NH1 2.83Å; I66-R72 HydrophobicContact CD1-CB 4.1Å; I66-R72 HydrophobicContact CG1-CB 3.96Å; I66-R72 HydrophobicContact CG2-CB 4.4Å; S70-R72 PolarHBondContact O-N 2.96Å; R72-K74 PolarHBondContact O-N 3.01Å; R72-E75 IonicContact NE-OE2 2.82Å; R72-E75 WeakPolarHBondContact O-CB 3.38Å; R72-E75 WeakPolarHBondContact O-CG 3.1Å; R72-E75 PolarHBondContact O-N 3.38Å; R72-E142 IonicContact NH2-OE2 3.94Å
73	F	91.9	Very high	91.8	Very high	44 Å²	44	67.4 Å²	67.4	19%	0.193	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.8	-28.5	173.9	-169.9	-107.3	0	0	0	112.4	I66 T67 R68 S70 E71 E75 L76 M97 W128	I66-F73 HydrophobicContact CG2-CB 4.04Å; I66-F73 HydrophobicContact CG2-CD2 4.07Å; T67-F73 WeakPolarHBondContact O-CB 3.44Å; R68-F73 HydrophobicContact CG-CE2 4.49Å; S70-F73 WeakPolarHBondContact O-CB 3.26Å; S70-F73 PolarHBondContact O-N 2.88Å; S70-F73 PolarHBondContact OG-N 2.85Å; E71-F73 PolarHBondContact O-N 3.49Å; F73-E75 PolarHBondContact O-N 3Å; F73-L76 HydrophobicContact CD2-CD1 4.07Å; F73-L76 HydrophobicContact CE2-CD1 4.21Å; F73-L76 PolarHBondContact O-N 3.23Å; F73-L76 VanDerWaalsContact O-N 3.08Å; F73-M97 HydrophobicContact CE1-CE 4.22Å; F73-M97 HydrophobicContact CE2-CE 4.15Å; F73-M97 HydrophobicContact CZ-CE 3.72Å; F73-M97 HydrophobicContact CZ-CG 4.41Å; F73-W128 AromaticContact CD2-CH2 3.95Å; F73-W128 HydrophobicContact CD2-CH2 3.95Å; F73-W128 AromaticContact CD2-CZ2 3.94Å; F73-W128 HydrophobicContact CD2-CZ2 3.94Å; F73-W128 HydrophobicContact CD2-CZ3 4.44Å; F73-W128 HydrophobicContact CE2-CD2 4.43Å; F73-W128 HydrophobicContact CE2-CE3 4.04Å; F73-W128 AromaticContact CE2-CH2 3.43Å; F73-W128 HydrophobicContact CE2-CH2 3.43Å; F73-W128 VanDerWaalsContact CE2-CH2 3.43Å; F73-W128 AromaticContact CE2-CZ2 3.84Å; F73-W128 HydrophobicContact CE2-CZ2 3.84Å; F73-W128 AromaticContact CE2-CZ3 3.54Å; F73-W128 HydrophobicContact CE2-CZ3 3.54Å; F73-W128 HydrophobicContact CZ-CH2 4.38Å; F73-W128 HydrophobicContact CZ-CZ3 4.27Å
74	K	87.4	Confident	92.4	Very high	155 Å²	155	64 Å²	64	67%	0.674	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65	-16.7	174.8	-61.8	171.1	-176	165.7	0	113	E71 R72 L76	E71-K74 WeakPolarHBondContact O-CB 3.46Å; E71-K74 PolarHBondContact O-N 3.13Å; E71-K74 IonicContact OE1-NZ 3.06Å; E71-K74 WeakPolarHBondContact OE2-CE 3.45Å; E71-K74 IonicContact OE2-NZ 2.75Å; E71-K74 PolarHBondContact OE2-NZ 2.91Å; R72-K74 PolarHBondContact O-N 3.01Å; K74-L76 VanDerWaalsContact C-N 3.32Å
75	E	84.8	Confident	92.9	Very high	67 Å²	67	65.5 Å²	65.5	31%	0.313	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-78.1	-20.1	176	-54.6	175.1	174.1	0	0	111.9	R72 F73 H189	R72-E75 IonicContact NE-OE2 2.82Å; R72-E75 WeakPolarHBondContact O-CB 3.38Å; R72-E75 WeakPolarHBondContact O-CG 3.1Å; R72-E75 PolarHBondContact O-N 3.38Å; F73-E75 PolarHBondContact O-N 3Å; E75-H189 VanDerWaalsContact CD-NE2 3.26Å; E75-H189 IonicContact OE1-CE1 3.25Å; E75-H189 PolarHBondContact OE1-CE1 3.49Å; E75-H189 IonicContact OE1-NE2 3.43Å; E75-H189 PolarHBondContact OE1-NE2 3.01Å; E75-H189 IonicContact OE2-CD2 2.82Å; E75-H189 IonicContact OE2-CE1 3.2Å; E75-H189 IonicContact OE2-NE2 2.67Å; E75-H189 PolarHBondContact OE2-NE2 3.32Å
76	L	92.9	Very high	93	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.047	31%	0.312	C	S	.	.			trans	-85.4	136.5	177.7	-55.9	-174.3	0	0	0	110.3	I66 F73 K74 M97 T99 W128 E142	I66-L76 HydrophobicContact CD1-CD2 4.14Å; I66-L76 HydrophobicContact CD1-CG 4.33Å; I66-L76 HydrophobicContact CG2-CD1 4.07Å; F73-L76 HydrophobicContact CD2-CD1 4.07Å; F73-L76 HydrophobicContact CE2-CD1 4.21Å; F73-L76 PolarHBondContact O-N 3.23Å; F73-L76 VanDerWaalsContact O-N 3.08Å; K74-L76 VanDerWaalsContact C-N 3.32Å; L76-M97 HydrophobicContact CB-CB 4.4Å; L76-M97 HydrophobicContact CB-CE 3.69Å; L76-M97 HydrophobicContact CD1-CB 4.24Å; L76-T99 HydrophobicContact CD2-CG2 4Å; L76-W128 HydrophobicContact CD1-CB 4.44Å; L76-W128 HydrophobicContact CD1-CD2 3.91Å; L76-W128 HydrophobicContact CD1-CG 3.79Å; L76-E142 WeakPolarHBondContact CD2-O 3.45Å
77	T	89.9	Confident	93.2	Very high	40 Å²	40	66.9 Å²	66.9	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.1	174.3	69.7	0	0	0	0	110	M98	T77-M98 PolarHBondContact N-O 3.46Å; T77-M98 PolarHBondContact O-N 2.9Å
78	P	96.4	Very high	93.2	Very high	46 Å²	46	65.9 Å²	65.9	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.4	175.3	28.2	-33.5	0	0	0	110.8	Y80 R96 M97 K103	P78-Y80 HydrophobicContact CB-CD2 4.17Å; P78-Y80 HydrophobicContact CB-CE2 3.54Å; P78-Y80 HydrophobicContact CG-CD2 4.34Å; P78-Y80 HydrophobicContact CG-CE2 3.64Å; P78-R96 CarbonylContact C-O 3.58Å; P78-R96 WeakPolarHBondContact CA-O 3.34Å; P78-M97 HydrophobicContact CB-SD 3.87Å; P78-M97 HydrophobicContact CG-SD 4.49Å; P78-K103 PolarHBondContact O-NZ 3.38Å
79	N	96.5	Very high	93.1	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.016	32%	0.321	C	S	.	.			trans	-101.1	113.8	171.4	-166.1	-8.7	0	0	0	111.3	N81 F86 R96 M98 K103 N107	N79-N81 WeakPolarHBondContact OD1-CB 3.48Å; N79-N81 PolarHBondContact OD1-N 2.92Å; N79-F86 HydrophobicContact CB-CZ 4.02Å; N79-F86 WeakPolarHBondContact O-CE2 3.31Å; N79-R96 PolarHBondContact N-O 3.13Å; N79-R96 PolarHBondContact O-NH1 2.85Å; N79-M98 HydrophobicContact CB-CE 3.74Å; N79-M98 HydrophobicContact CB-SD 3.83Å; N79-K103 HydrophobicContact CB-CD 4.49Å; N79-K103 HydrophobicContact CB-CG 4.3Å; N79-N107 PolarHBondContact ND2-OD1 2.68Å
80	Y	96.8	Very high	93.1	Very high	168 Å²	168	60.1 Å²	60.1	66%	0.659	29%	0.292	S	S	*	.			trans	-109.8	23.1	177.9	-66.1	-67.8	0	0	0	112.9	P78 P82	P78-Y80 HydrophobicContact CB-CD2 4.17Å; P78-Y80 HydrophobicContact CB-CE2 3.54Å; P78-Y80 HydrophobicContact CG-CD2 4.34Å; P78-Y80 HydrophobicContact CG-CE2 3.64Å; Y80-P82 WeakPolarHBondContact O-CD 3.18Å
81	N	93.2	Very high	93.2	Very high	29 Å²	29	65.3 Å²	65.3	16%	0.155	32%	0.317	C	S	.	.			trans	-57.4	120.2	177	-175	-14.6	0	0	0	110.7	N79 D83 I84 N107	N79-N81 WeakPolarHBondContact OD1-CB 3.48Å; N79-N81 PolarHBondContact OD1-N 2.92Å; N81-D83 PolarHBondContact O-N 2.96Å; N81-D83 WeakPolarHBondContact OD1-CB 3.36Å; N81-D83 PolarHBondContact OD1-N 2.87Å; N81-I84 HydrophobicContact CB-CD1 3.93Å; N81-I84 HydrophobicContact CB-CG1 4.15Å; N81-I84 PolarHBondContact O-N 3.47Å; N81-N107 WeakPolarHBondContact CB-OD1 3.21Å; N81-N107 PolarHBondContact ND2-OD1 3.39Å
82	P	95.8	Very high	93.5	Very high	96 Å²	96	61.7 Å²	61.7	62%	0.623	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	-178	29.3	-37.1	0	0	0	113.5	Y80 I84 R121	Y80-P82 WeakPolarHBondContact O-CD 3.18Å; P82-I84 VanDerWaalsContact C-N 3.28Å; P82-R121 PolarHBondContact O-NH1 2.82Å
83	D	95.9	Very high	94	Very high	58 Å²	58	59.9 Å²	59.9	31%	0.31	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.3	179.4	-63.2	-34.2	0	0	0	113.2	N81 M114 R121	N81-D83 PolarHBondContact O-N 2.96Å; N81-D83 WeakPolarHBondContact OD1-CB 3.36Å; N81-D83 PolarHBondContact OD1-N 2.87Å; D83-M114 HydrophobicContact CB-SD 3.61Å; D83-M114 VanDerWaalsContact CG-SD 3.59Å; D83-R121 WeakPolarHBondContact O-CB 3.34Å
84	I	98.5	Very high	94.3	Very high	8 Å²	8	58 Å²	58	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.6	177.8	-54.8	174.7	0	0	0	109.5	N81 P82 F86 L106 A110 L122 V124	N81-I84 HydrophobicContact CB-CD1 3.93Å; N81-I84 HydrophobicContact CB-CG1 4.15Å; N81-I84 PolarHBondContact O-N 3.47Å; P82-I84 VanDerWaalsContact C-N 3.28Å; I84-F86 HydrophobicContact CB-CD2 4.45Å; I84-F86 HydrophobicContact CB-CE2 3.78Å; I84-F86 HydrophobicContact CB-CZ 4.22Å; I84-F86 HydrophobicContact CG2-CD2 4.05Å; I84-F86 HydrophobicContact CG2-CE1 4.27Å; I84-F86 HydrophobicContact CG2-CE2 3.55Å; I84-F86 HydrophobicContact CG2-CZ 3.67Å; I84-L106 HydrophobicContact CD1-CD2 3.82Å; I84-L106 HydrophobicContact CD1-CG 3.78Å; I84-A110 HydrophobicContact CD1-CB 4.11Å; I84-A110 HydrophobicContact CG1-CB 3.68Å; I84-L122 WeakPolarHBondContact CA-O 3.46Å; I84-L122 HydrophobicContact CD1-CD2 4.44Å; I84-L122 HydrophobicContact CG1-CD2 4.37Å; I84-V124 HydrophobicContact CG2-CG2 3.86Å
85	I	98.4	Very high	94.8	Very high	50 Å²	50	50.6 Å²	50.6	26%	0.256	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.3	171.6	-55.5	-176.7	0	0	0	108.4	R121 L122 R123 V124 S151	I85-R121 HydrophobicContact CD1-CB 4.48Å; I85-R121 HydrophobicContact CG1-CB 4.39Å; I85-L122 PolarHBondContact N-O 2.58Å; I85-R123 HydrophobicContact CB-CB 4.14Å; I85-R123 HydrophobicContact CB-CG 4.09Å; I85-R123 HydrophobicContact CG2-CG 4.18Å; I85-R123 CarbonylContact O-C 3.51Å; I85-R123 WeakPolarHBondContact O-CA 3.42Å; I85-V124 PolarHBondContact O-N 2.93Å; I85-S151 VanDerWaalsContact CD1-CB 3.47Å
86	F	98.4	Very high	95.4	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.2	171.5	-66.7	-90.9	0	0	0	109	N79 I84 D95 R96 M98 L106 V124	N79-F86 HydrophobicContact CB-CZ 4.02Å; N79-F86 WeakPolarHBondContact O-CE2 3.31Å; I84-F86 HydrophobicContact CB-CD2 4.45Å; I84-F86 HydrophobicContact CB-CE2 3.78Å; I84-F86 HydrophobicContact CB-CZ 4.22Å; I84-F86 HydrophobicContact CG2-CD2 4.05Å; I84-F86 HydrophobicContact CG2-CE1 4.27Å; I84-F86 HydrophobicContact CG2-CE2 3.55Å; I84-F86 HydrophobicContact CG2-CZ 3.67Å; F86-D95 HydrophobicContact CB-CB 4.49Å; F86-D95 HydrophobicContact CD1-CB 4.13Å; F86-D95 VanDerWaalsContact CD1-O 3.3Å; F86-D95 WeakPolarHBondContact CD1-O 3.48Å; F86-D95 VanDerWaalsContact CE1-O 3.25Å; F86-D95 WeakPolarHBondContact CE1-O 3.38Å; F86-R96 HydrophobicContact CB-CG 4.36Å; F86-R96 HydrophobicContact CD1-CG 3.95Å; F86-R96 HydrophobicContact CD2-CG 4.19Å; F86-R96 HydrophobicContact CE1-CG 4.28Å; F86-R96 HydrophobicContact CG-CG 3.89Å; F86-M98 HydrophobicContact CE1-CE 3.93Å; F86-M98 HydrophobicContact CZ-CE 4.22Å; F86-L106 HydrophobicContact CZ-CD2 4.39Å; F86-V124 HydrophobicContact CD1-CB 3.76Å; F86-V124 HydrophobicContact CD1-CG1 4.1Å; F86-V124 HydrophobicContact CD1-CG2 4.12Å; F86-V124 HydrophobicContact CE1-CB 3.97Å; F86-V124 HydrophobicContact CE1-CG1 4.29Å; F86-V124 HydrophobicContact CE1-CG2 3.81Å; F86-V124 HydrophobicContact CZ-CG2 4.45Å
87	K	97.4	Very high	95.6	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.4	26%	0.264	S	S	.	.			trans	-75.9	-46.5	-179.3	-175.1	-174.2	161.1	-148.6	0	110.1	E89 D95 R123 V124 T125	K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 WeakPolarHBondContact CD-OE2 3.09Å; K87-E89 VanDerWaalsContact CE-CD 3.48Å; K87-E89 WeakPolarHBondContact CE-OE1 3.44Å; K87-E89 WeakPolarHBondContact CE-OE2 3.27Å; K87-E89 WeakPolarHBondContact CG-OE2 3.44Å; K87-E89 IonicContact NZ-OE1 3.94Å; K87-E89 PolarHBondContact NZ-OE1 3.03Å; K87-E89 IonicContact NZ-OE2 3.89Å; K87-E89 PolarHBondContact NZ-OE2 2.87Å; K87-E89 PolarHBondContact O-N 2.81Å; K87-D95 PolarHBondContact N-OD2 2.72Å; K87-R123 VanDerWaalsContact CD-NH2 3.34Å; K87-R123 VanDerWaalsContact CG-NH2 3.26Å; K87-V124 WeakPolarHBondContact CB-O 3.12Å; K87-V124 PolarHBondContact N-O 3.28Å; K87-T125 HydrophobicContact CD-CG2 4.19Å
88	D	94.3	Very high	96	Very high	35 Å²	35	49.3 Å²	49.3	19%	0.187	25%	0.252	C	S	.	.			trans	46.1	50	173.1	-168.9	22.5	0	0	0	112	E90 N91 T92 G93 D95	D88-E90 PolarHBondContact O-N 2.86Å; D88-N91 PolarHBondContact O-N 2.81Å; D88-N91 VanDerWaalsContact O-N 3.14Å; D88-N91 PolarHBondContact OD1-N 2.8Å; D88-T92 PolarHBondContact OD1-N 3.41Å; D88-G93 WeakPolarHBondContact OD1-CA 3.37Å; D88-G93 PolarHBondContact OD1-N 3.47Å; D88-D95 HydrophobicContact CB-CB 4.48Å; D88-D95 PolarHBondContact N-OD2 2.66Å
89	E	91.6	Very high	95.9	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.341	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.9	179.6	63.9	-87.3	-133.4	0	0	112.8	K87 N91	K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 WeakPolarHBondContact CD-OE2 3.09Å; K87-E89 VanDerWaalsContact CE-CD 3.48Å; K87-E89 WeakPolarHBondContact CE-OE1 3.44Å; K87-E89 WeakPolarHBondContact CE-OE2 3.27Å; K87-E89 WeakPolarHBondContact CG-OE2 3.44Å; K87-E89 IonicContact NZ-OE1 3.94Å; K87-E89 PolarHBondContact NZ-OE1 3.03Å; K87-E89 IonicContact NZ-OE2 3.89Å; K87-E89 PolarHBondContact NZ-OE2 2.87Å; K87-E89 PolarHBondContact O-N 2.81Å; E89-N91 PolarHBondContact O-N 2.91Å; E89-N91 PolarHBondContact O-ND2 2.76Å; E89-N91 VanDerWaalsContact O-ND2 3.13Å
90	E	91.4	Very high	95.3	Very high	44 Å²	44	49.8 Å²	49.8	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.8	175.9	-61.3	69.6	-147.3	0	0	111.4	D88 T92	D88-E90 PolarHBondContact O-N 2.86Å; E90-T92 HydrophobicContact CB-CG2 4.01Å; E90-T92 WeakPolarHBondContact O-CG2 3.35Å; E90-T92 PolarHBondContact O-N 2.83Å
91	N	93.9	Very high	94.7	Very high	142 Å²	142	43.2 Å²	43.2	76%	0.759	23%	0.225	S	C	*	.	S	Bend	trans	54.7	30.8	-172.4	-58.6	-85.7	0	0	0	113.4	D88 E89	D88-N91 PolarHBondContact O-N 2.81Å; D88-N91 VanDerWaalsContact O-N 3.14Å; D88-N91 PolarHBondContact OD1-N 2.8Å; E89-N91 PolarHBondContact O-N 2.91Å; E89-N91 PolarHBondContact O-ND2 2.76Å; E89-N91 VanDerWaalsContact O-ND2 3.13Å
92	T	93.9	Very high	94.8	Very high	62 Å²	62	41.8 Å²	41.8	38%	0.38	22%	0.217	S	C	.	.	S	Bend	trans	-112.4	-6.9	-178.2	64.8	0	0	0	0	112.3	R68 D88 E90 A94 E130	R68-T92 PolarHBondContact NH2-O 3.01Å; D88-T92 PolarHBondContact OD1-N 3.41Å; E90-T92 HydrophobicContact CB-CG2 4.01Å; E90-T92 WeakPolarHBondContact O-CG2 3.35Å; E90-T92 PolarHBondContact O-N 2.83Å; T92-A94 PolarHBondContact O-N 2.84Å; T92-A94 VanDerWaalsContact OG1-CB 3.3Å; T92-A94 WeakPolarHBondContact OG1-CB 3.38Å; T92-A94 PolarHBondContact OG1-N 2.86Å; T92-E130 PolarHBondContact OG1-OE1 2.72Å
93	G	95.3	Very high	94.7	Very high	19 Å²	19	39.6 Å²	39.6	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	70.4	11.6	-172.7	0	0	0	0	0	113.7	D88 D95 R96	D88-G93 WeakPolarHBondContact OD1-CA 3.37Å; D88-G93 PolarHBondContact OD1-N 3.47Å; G93-D95 VanDerWaalsContact C-N 3.3Å; G93-D95 PolarHBondContact O-N 3.09Å; G93-R96 WeakPolarHBondContact O-CB 3.43Å; G93-R96 PolarHBondContact O-N 3.13Å
94	A	96.7	Very high	94.1	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.3	-41.4	-176.7	0	0	0	0	0	112.2	T92 R96 M97 W128 E130	T92-A94 PolarHBondContact O-N 2.84Å; T92-A94 VanDerWaalsContact OG1-CB 3.3Å; T92-A94 WeakPolarHBondContact OG1-CB 3.38Å; T92-A94 PolarHBondContact OG1-N 2.86Å; A94-R96 PolarHBondContact O-N 2.76Å; A94-M97 WeakPolarHBondContact O-CB 3.34Å; A94-M97 PolarHBondContact O-N 2.82Å; A94-W128 HydrophobicContact CB-CE3 4.01Å; A94-W128 HydrophobicContact CB-CZ3 4.31Å; A94-W128 WeakPolarHBondContact CB-O 3.44Å; A94-E130 WeakPolarHBondContact CB-OE1 3.49Å
95	D	97.8	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-50.6	-25.3	172.1	-103.8	3.8	0	0	0	114.9	F86 K87 D88 G93 E126 G127	F86-D95 HydrophobicContact CB-CB 4.49Å; F86-D95 HydrophobicContact CD1-CB 4.13Å; F86-D95 VanDerWaalsContact CD1-O 3.3Å; F86-D95 WeakPolarHBondContact CD1-O 3.48Å; F86-D95 VanDerWaalsContact CE1-O 3.25Å; F86-D95 WeakPolarHBondContact CE1-O 3.38Å; K87-D95 PolarHBondContact N-OD2 2.72Å; D88-D95 HydrophobicContact CB-CB 4.48Å; D88-D95 PolarHBondContact N-OD2 2.66Å; G93-D95 VanDerWaalsContact C-N 3.3Å; G93-D95 PolarHBondContact O-N 3.09Å; D95-E126 VanDerWaalsContact OD1-C 3.3Å; D95-E126 WeakPolarHBondContact OD1-CA 3.2Å; D95-G127 PolarHBondContact OD1-N 2.98Å
96	R	98.3	Very high	93.6	Very high	64 Å²	64	39 Å²	39	24%	0.242	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-89.9	-18.4	-179.5	-59.2	176.7	175.7	-80.6	-2.1	112.7	P78 N79 F86 G93 A94	P78-R96 CarbonylContact C-O 3.58Å; P78-R96 WeakPolarHBondContact CA-O 3.34Å; N79-R96 PolarHBondContact N-O 3.13Å; N79-R96 PolarHBondContact O-NH1 2.85Å; F86-R96 HydrophobicContact CB-CG 4.36Å; F86-R96 HydrophobicContact CD1-CG 3.95Å; F86-R96 HydrophobicContact CD2-CG 4.19Å; F86-R96 HydrophobicContact CE1-CG 4.28Å; F86-R96 HydrophobicContact CG-CG 3.89Å; G93-R96 WeakPolarHBondContact O-CB 3.43Å; G93-R96 PolarHBondContact O-N 3.13Å; A94-R96 PolarHBondContact O-N 2.76Å
97	M	97.9	Very high	93.1	Very high	24 Å²	24	39.9 Å²	39.9	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.3	-176.7	-60.5	-57.6	-60	0	0	109.5	F73 L76 P78 A94 W128	F73-M97 HydrophobicContact CE1-CE 4.22Å; F73-M97 HydrophobicContact CE2-CE 4.15Å; F73-M97 HydrophobicContact CZ-CE 3.72Å; F73-M97 HydrophobicContact CZ-CG 4.41Å; L76-M97 HydrophobicContact CB-CB 4.4Å; L76-M97 HydrophobicContact CB-CE 3.69Å; L76-M97 HydrophobicContact CD1-CB 4.24Å; P78-M97 HydrophobicContact CB-SD 3.87Å; P78-M97 HydrophobicContact CG-SD 4.49Å; A94-M97 WeakPolarHBondContact O-CB 3.34Å; A94-M97 PolarHBondContact O-N 2.82Å; M97-W128 HydrophobicContact CB-CB 4.09Å; M97-W128 HydrophobicContact CB-CD2 4.36Å; M97-W128 HydrophobicContact CB-CE3 3.93Å; M97-W128 HydrophobicContact CB-CG 4.47Å; M97-W128 HydrophobicContact CG-CE3 4.16Å; M97-W128 WeakPolarHBondContact O-CB 3.23Å
98	M	97.6	Very high	92.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	162.4	-178.9	62.4	-168.9	66.9	0	0	111.2	T77 N79 F86 C102 K103 L106 G143	T77-M98 PolarHBondContact N-O 3.46Å; T77-M98 PolarHBondContact O-N 2.9Å; N79-M98 HydrophobicContact CB-CE 3.74Å; N79-M98 HydrophobicContact CB-SD 3.83Å; F86-M98 HydrophobicContact CE1-CE 3.93Å; F86-M98 HydrophobicContact CZ-CE 4.22Å; M98-C102 HydrophobicContact CB-CB 3.94Å; M98-C102 HydrophobicContact CG-CB 4.3Å; M98-K103 HydrophobicContact CG-CB 3.93Å; M98-K103 VanDerWaalsContact SD-CA 3.52Å; M98-K103 HydrophobicContact SD-CB 3.86Å; M98-L106 HydrophobicContact CE-CD2 3.68Å; M98-L106 HydrophobicContact SD-CD2 3.8Å; M98-G143 CarbonylContact C-O 3.59Å; M98-G143 VanDerWaalsContact CA-O 3.28Å; M98-G143 WeakPolarHBondContact CA-O 3.37Å; M98-G143 WeakPolarHBondContact CB-O 3.39Å
99	T	93.4	Very high	92.6	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.037	19%	0.188	C	C	.	.			trans	-65	158.8	171.8	65.7	0	0	0	0	111.1	L76 R101 C102 K103 G143 R144 E188	L76-T99 HydrophobicContact CD2-CG2 4Å; T99-R101 VanDerWaalsContact C-N 3.31Å; T99-R101 PolarHBondContact O-N 2.95Å; T99-C102 WeakPolarHBondContact O-CB 3.42Å; T99-C102 PolarHBondContact O-N 3.27Å; T99-C102 VanDerWaalsContact O-N 3.14Å; T99-C102 WeakPolarHBondContact OG1-CB 3.17Å; T99-C102 PolarHBondContact OG1-N 2.89Å; T99-K103 PolarHBondContact O-N 3.49Å; T99-G143 PolarHBondContact N-O 3.23Å; T99-R144 HydrophobicContact CG2-CG 3.61Å; T99-E188 HydrophobicContact CG2-CG 4.43Å
100	Q	83.8	Confident	92.6	Very high	53 Å²	53	32.8 Å²	32.8	25%	0.248	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-44.3	179.1	-174.9	61.2	42.9	0	0	111.7	C102 K103 D104 E188	Q100-C102 VanDerWaalsContact C-N 3.34Å; Q100-C102 PolarHBondContact O-N 3Å; Q100-K103 WeakPolarHBondContact O-CB 3.44Å; Q100-K103 PolarHBondContact O-N 3.34Å; Q100-D104 PolarHBondContact NE2-OD1 3.09Å; Q100-D104 PolarHBondContact O-N 3Å; Q100-E188 PolarHBondContact N-OE1 2.75Å
101	R	85.4	Confident	92.4	Very high	30 Å²	30	35.3 Å²	35.3	11%	0.113	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-44.7	175.4	-177.5	178.6	-175.3	83.9	-1.9	111.8	T99 K103 D104 K105 D171 V185 K186 E188	T99-R101 VanDerWaalsContact C-N 3.31Å; T99-R101 PolarHBondContact O-N 2.95Å; R101-K103 VanDerWaalsContact C-N 3.32Å; R101-K103 PolarHBondContact O-N 2.93Å; R101-D104 PolarHBondContact O-N 2.87Å; R101-K105 WeakPolarHBondContact O-CG 3.35Å; R101-K105 PolarHBondContact O-N 2.93Å; R101-D171 IonicContact CZ-OD1 3.98Å; R101-D171 IonicContact CZ-OD2 3.05Å; R101-D171 IonicContact NE-OD1 3.8Å; R101-D171 IonicContact NE-OD2 3.96Å; R101-D171 PolarHBondContact NE-OD2 2.96Å; R101-D171 IonicContact NH2-OD1 3.2Å; R101-D171 PolarHBondContact NH2-OD1 2.84Å; R101-D171 IonicContact NH2-OD2 3.57Å; R101-D171 PolarHBondContact NH2-OD2 2.82Å; R101-V185 HydrophobicContact CB-CG2 4.48Å; R101-V185 HydrophobicContact CG-CB 4.1Å; R101-V185 HydrophobicContact CG-CG1 4.29Å; R101-V185 HydrophobicContact CG-CG2 4.38Å; R101-K186 WeakPolarHBondContact CD-O 3.32Å; R101-E188 WeakPolarHBondContact CA-OE1 3.49Å; R101-E188 WeakPolarHBondContact CB-OE1 3.38Å; R101-E188 PolarHBondContact N-OE1 2.89Å
102	C	95.4	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-45.6	178.2	-170.1	0	0	0	0	110.6	M98 T99 Q100 D104 K105 L106 V185	M98-C102 HydrophobicContact CB-CB 3.94Å; M98-C102 HydrophobicContact CG-CB 4.3Å; T99-C102 WeakPolarHBondContact O-CB 3.42Å; T99-C102 PolarHBondContact O-N 3.27Å; T99-C102 VanDerWaalsContact O-N 3.14Å; T99-C102 WeakPolarHBondContact OG1-CB 3.17Å; T99-C102 PolarHBondContact OG1-N 2.89Å; Q100-C102 VanDerWaalsContact C-N 3.34Å; Q100-C102 PolarHBondContact O-N 3Å; C102-D104 PolarHBondContact O-N 3.26Å; C102-K105 PolarHBondContact O-N 3.07Å; C102-L106 WeakPolarHBondContact O-CB 3.33Å; C102-L106 PolarHBondContact O-N 2.65Å; C102-V185 HydrophobicContact CB-CG1 4.48Å; C102-V185 HydrophobicContact CB-CG2 3.7Å
103	K	94.1	Very high	92.3	Very high	50 Å²	50	27.1 Å²	27.1	22%	0.217	14%	0.142	C	C	.	.	H	α-helix	trans	-57	-45.5	175.3	179.4	174.7	174.9	179.4	0	112.5	P78 N79 M98 T99 Q100 R101 L106 N107	P78-K103 PolarHBondContact O-NZ 3.38Å; N79-K103 HydrophobicContact CB-CD 4.49Å; N79-K103 HydrophobicContact CB-CG 4.3Å; M98-K103 HydrophobicContact CG-CB 3.93Å; M98-K103 VanDerWaalsContact SD-CA 3.52Å; M98-K103 HydrophobicContact SD-CB 3.86Å; T99-K103 PolarHBondContact O-N 3.49Å; Q100-K103 WeakPolarHBondContact O-CB 3.44Å; Q100-K103 PolarHBondContact O-N 3.34Å; R101-K103 VanDerWaalsContact C-N 3.32Å; R101-K103 PolarHBondContact O-N 2.93Å; K103-L106 PolarHBondContact O-N 3.29Å; K103-N107 VanDerWaalsContact O-CB 3.32Å; K103-N107 WeakPolarHBondContact O-CB 3.4Å; K103-N107 PolarHBondContact O-N 3.36Å; K103-N107 PolarHBondContact O-ND2 2.98Å
104	D	82.7	Confident	92.3	Very high	52 Å²	52	29.4 Å²	29.4	28%	0.278	15%	0.148	S	C	.	.	H	α-helix	trans	-63.8	-46.8	179.6	-61.9	-21.9	0	0	0	111.9	Q100 R101 C102 N107 S108	Q100-D104 PolarHBondContact NE2-OD1 3.09Å; Q100-D104 PolarHBondContact O-N 3Å; R101-D104 PolarHBondContact O-N 2.87Å; C102-D104 PolarHBondContact O-N 3.26Å; D104-N107 PolarHBondContact O-N 3.31Å; D104-S108 WeakPolarHBondContact O-CB 3.15Å; D104-S108 PolarHBondContact O-N 3.02Å
105	K	88.9	Confident	92.1	Very high	50 Å²	50	35.5 Å²	35.5	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-40.8	178.4	-59.1	-43.1	177.2	-174.1	0	111.7	R101 C102 S108 L109 A168 G169 F170 V185	R101-K105 WeakPolarHBondContact O-CG 3.35Å; R101-K105 PolarHBondContact O-N 2.93Å; C102-K105 PolarHBondContact O-N 3.07Å; K105-S108 PolarHBondContact O-N 2.82Å; K105-L109 WeakPolarHBondContact O-CB 3.5Å; K105-L109 PolarHBondContact O-N 3.18Å; K105-A168 WeakPolarHBondContact CD-O 3.3Å; K105-G169 WeakPolarHBondContact CD-O 3.19Å; K105-G169 WeakPolarHBondContact CE-O 3.24Å; K105-F170 HydrophobicContact CB-CD1 4.16Å; K105-F170 HydrophobicContact CB-CD2 3.92Å; K105-F170 HydrophobicContact CB-CE1 4.02Å; K105-F170 HydrophobicContact CB-CE2 3.76Å; K105-F170 HydrophobicContact CB-CG 4.12Å; K105-F170 HydrophobicContact CB-CZ 3.82Å; K105-V185 HydrophobicContact CB-CG1 4.49Å; K105-V185 HydrophobicContact CG-CG1 4.08Å
106	L	97.4	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-41.2	178.3	-167.2	72.8	0	0	0	112	I84 F86 M98 C102 K103 L109 A110 L122 V124 V146 I148 F170	I84-L106 HydrophobicContact CD1-CD2 3.82Å; I84-L106 HydrophobicContact CD1-CG 3.78Å; F86-L106 HydrophobicContact CZ-CD2 4.39Å; M98-L106 HydrophobicContact CE-CD2 3.68Å; M98-L106 HydrophobicContact SD-CD2 3.8Å; C102-L106 WeakPolarHBondContact O-CB 3.33Å; C102-L106 PolarHBondContact O-N 2.65Å; K103-L106 PolarHBondContact O-N 3.29Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-A110 PolarHBondContact O-N 3.35Å; L106-L122 HydrophobicContact CD1-CD2 3.58Å; L106-L122 HydrophobicContact CG-CD2 3.97Å; L106-V124 HydrophobicContact CD1-CG2 4.13Å; L106-V124 HydrophobicContact CD2-CG2 3.88Å; L106-V146 HydrophobicContact CD1-CG2 4.1Å; L106-I148 HydrophobicContact CD1-CG2 4.14Å; L106-F170 HydrophobicContact CB-CZ 4.14Å; L106-F170 HydrophobicContact CD1-CZ 4.04Å
107	N	87.4	Confident	92	Very high	37 Å²	37	37.9 Å²	37.9	20%	0.198	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-41	176	-70.3	-21.3	0	0	0	111.9	N79 N81 K103 D104 L109 A110 I111	N79-N107 PolarHBondContact ND2-OD1 2.68Å; N81-N107 WeakPolarHBondContact CB-OD1 3.21Å; N81-N107 PolarHBondContact ND2-OD1 3.39Å; K103-N107 VanDerWaalsContact O-CB 3.32Å; K103-N107 WeakPolarHBondContact O-CB 3.4Å; K103-N107 PolarHBondContact O-N 3.36Å; K103-N107 PolarHBondContact O-ND2 2.98Å; D104-N107 PolarHBondContact O-N 3.31Å; N107-L109 VanDerWaalsContact C-N 3.32Å; N107-L109 PolarHBondContact O-N 2.85Å; N107-A110 WeakPolarHBondContact O-CB 3.45Å; N107-A110 PolarHBondContact O-N 3.12Å; N107-I111 PolarHBondContact O-N 3.34Å
108	S	86.6	Confident	92	Very high	52 Å²	52	42.4 Å²	42.4	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-40.8	173.5	-171.9	0	0	0	0	112.1	D104 K105 I111 S112	D104-S108 WeakPolarHBondContact O-CB 3.15Å; D104-S108 PolarHBondContact O-N 3.02Å; K105-S108 PolarHBondContact O-N 2.82Å; S108-I111 PolarHBondContact O-N 2.98Å; S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.76Å; S108-S112 VanDerWaalsContact O-OG 3.13Å
109	L	95.8	Very high	91.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-41.6	175.2	-179.9	57	0	0	0	112	K105 L106 N107 I111 S112 V113 L122 I148 L161 L164 A165 A168 F170	K105-L109 WeakPolarHBondContact O-CB 3.5Å; K105-L109 PolarHBondContact O-N 3.18Å; L106-L109 PolarHBondContact O-N 3.16Å; N107-L109 VanDerWaalsContact C-N 3.32Å; N107-L109 PolarHBondContact O-N 2.85Å; L109-I111 VanDerWaalsContact C-N 3.3Å; L109-I111 PolarHBondContact O-N 2.68Å; L109-S112 WeakPolarHBondContact O-CA 3.28Å; L109-S112 WeakPolarHBondContact O-CB 3.41Å; L109-S112 PolarHBondContact O-N 3.35Å; L109-V113 HydrophobicContact CD1-CG2 4.07Å; L109-V113 HydrophobicContact CG-CG2 4.25Å; L109-V113 WeakPolarHBondContact O-CG2 3.27Å; L109-V113 PolarHBondContact O-N 3.04Å; L109-L122 HydrophobicContact CB-CD2 4.21Å; L109-L122 HydrophobicContact CD2-CD1 4.01Å; L109-L122 HydrophobicContact CD2-CD2 4.08Å; L109-L122 HydrophobicContact CG-CD1 4.23Å; L109-L122 HydrophobicContact CG-CD2 3.99Å; L109-I148 HydrophobicContact CD2-CD1 3.4Å; L109-L161 HydrophobicContact CD1-CD1 4.43Å; L109-L164 VanDerWaalsContact CD1-C 3.49Å; L109-L164 HydrophobicContact CD1-CB 3.54Å; L109-A165 HydrophobicContact CD1-CB 4.34Å; L109-A165 HydrophobicContact CD2-CB 3.84Å; L109-A168 HydrophobicContact CB-CB 3.81Å; L109-A168 HydrophobicContact CD1-CB 4.29Å; L109-F170 HydrophobicContact CB-CE2 4.18Å; L109-F170 HydrophobicContact CD2-CE2 3.86Å
110	A	91.8	Very high	92.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-44.8	178.8	0	0	0	0	0	111.9	I84 L106 N107 S112 V113 M114 L122	I84-A110 HydrophobicContact CD1-CB 4.11Å; I84-A110 HydrophobicContact CG1-CB 3.68Å; L106-A110 PolarHBondContact O-N 3.35Å; N107-A110 WeakPolarHBondContact O-CB 3.45Å; N107-A110 PolarHBondContact O-N 3.12Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 2.86Å; A110-V113 PolarHBondContact O-N 2.83Å; A110-M114 WeakPolarHBondContact O-CG 3.36Å; A110-M114 PolarHBondContact O-N 2.73Å; A110-M114 VanDerWaalsContact O-N 3.09Å; A110-L122 HydrophobicContact CB-CB 4.17Å; A110-L122 HydrophobicContact CB-CD2 4.12Å
111	I	85.5	Confident	92.8	Very high	96 Å²	96	49.3 Å²	49.3	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-45.4	174.6	-62.7	166.1	0	0	0	110.6	N107 S108 L109 V113 M114 N115	N107-I111 PolarHBondContact O-N 3.34Å; S108-I111 PolarHBondContact O-N 2.98Å; L109-I111 VanDerWaalsContact C-N 3.3Å; L109-I111 PolarHBondContact O-N 2.68Å; I111-V113 VanDerWaalsContact C-N 3.35Å; I111-V113 PolarHBondContact O-N 2.9Å; I111-M114 PolarHBondContact O-N 2.94Å; I111-N115 WeakPolarHBondContact O-CB 3.38Å; I111-N115 VanDerWaalsContact O-CG 3.24Å; I111-N115 PolarHBondContact O-N 2.94Å; I111-N115 PolarHBondContact O-ND2 2.99Å
112	S	90.4	Very high	93.4	Very high	33 Å²	33	47.9 Å²	47.9	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-38.7	-179.6	-61.1	0	0	0	0	112.7	S108 L109 A110 N115 L116	S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.76Å; S108-S112 VanDerWaalsContact O-OG 3.13Å; L109-S112 WeakPolarHBondContact O-CA 3.28Å; L109-S112 WeakPolarHBondContact O-CB 3.41Å; L109-S112 PolarHBondContact O-N 3.35Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 2.86Å; S112-N115 PolarHBondContact O-N 2.77Å; S112-L116 WeakPolarHBondContact O-CB 3.32Å; S112-L116 PolarHBondContact O-N 3.25Å
113	V	97	Very high	93.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-48.4	176.2	168.7	0	0	0	0	110.8	L109 A110 I111 N115 L116 W117 V120 L122 L161 L164	L109-V113 HydrophobicContact CD1-CG2 4.07Å; L109-V113 HydrophobicContact CG-CG2 4.25Å; L109-V113 WeakPolarHBondContact O-CG2 3.27Å; L109-V113 PolarHBondContact O-N 3.04Å; A110-V113 PolarHBondContact O-N 2.83Å; I111-V113 VanDerWaalsContact C-N 3.35Å; I111-V113 PolarHBondContact O-N 2.9Å; V113-N115 VanDerWaalsContact C-N 3.32Å; V113-N115 PolarHBondContact O-N 3.48Å; V113-L116 PolarHBondContact O-N 3.02Å; V113-W117 HydrophobicContact CG1-CE3 3.96Å; V113-W117 HydrophobicContact CG1-CZ3 4.29Å; V113-W117 HydrophobicContact CG2-CZ3 4.32Å; V113-W117 PolarHBondContact O-N 3.32Å; V113-V120 HydrophobicContact CG1-CG1 4.4Å; V113-L122 HydrophobicContact CG2-CB 4.41Å; V113-L122 HydrophobicContact CG2-CD1 4.28Å; V113-L161 HydrophobicContact CG2-CD1 3.51Å; V113-L164 HydrophobicContact CG2-CD1 4.16Å
114	M	95.3	Very high	93.8	Very high	67 Å²	67	46.9 Å²	46.9	33%	0.33	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-36.4	179.2	-71.1	173.5	58.6	0	0	112.6	D83 A110 I111 W117 R121	D83-M114 HydrophobicContact CB-SD 3.61Å; D83-M114 VanDerWaalsContact CG-SD 3.59Å; A110-M114 WeakPolarHBondContact O-CG 3.36Å; A110-M114 PolarHBondContact O-N 2.73Å; A110-M114 VanDerWaalsContact O-N 3.09Å; I111-M114 PolarHBondContact O-N 2.94Å; M114-W117 CarbonylContact O-C 3.46Å; M114-R121 HydrophobicContact CG-CG 4.47Å
115	N	92.4	Very high	94.5	Very high	130 Å²	130	45.4 Å²	45.4	70%	0.695	26%	0.259	S	S	*	.	H	α-helix	trans	-68.5	-38.5	176.4	-75.5	-23.6	0	0	0	112.3	I111 S112 V113	I111-N115 WeakPolarHBondContact O-CB 3.38Å; I111-N115 VanDerWaalsContact O-CG 3.24Å; I111-N115 PolarHBondContact O-N 2.94Å; I111-N115 PolarHBondContact O-ND2 2.99Å; S112-N115 PolarHBondContact O-N 2.77Å; V113-N115 VanDerWaalsContact C-N 3.32Å; V113-N115 PolarHBondContact O-N 3.48Å
116	L	95.6	Very high	95	Very high	70 Å²	70	44 Å²	44	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-77.1	-37.9	-179.6	-173.3	62.8	0	0	0	112.2	S112 V113 M160 L164	S112-L116 WeakPolarHBondContact O-CB 3.32Å; S112-L116 PolarHBondContact O-N 3.25Å; V113-L116 PolarHBondContact O-N 3.02Å; L116-M160 HydrophobicContact CD2-CG 3.48Å; L116-M160 VanDerWaalsContact CD2-CG 3.48Å; L116-M160 HydrophobicContact CD2-SD 4.37Å; L116-L164 HydrophobicContact CB-CD1 4.16Å; L116-L164 HydrophobicContact CD2-CD1 3.68Å; L116-L164 HydrophobicContact CD2-CD2 4.25Å; L116-L164 HydrophobicContact CD2-CG 4.16Å
117	W	97.9	Very high	94.9	Very high	44 Å²	44	44 Å²	44	17%	0.167	25%	0.253	C	S	.	.	S	Bend	trans	-128.2	91.2	-177.6	-58.9	-61.4	0	0	0	110.6	V113 M114 G119 V120 T150 K157 M160 L161 L164	V113-W117 HydrophobicContact CG1-CE3 3.96Å; V113-W117 HydrophobicContact CG1-CZ3 4.29Å; V113-W117 HydrophobicContact CG2-CZ3 4.32Å; V113-W117 PolarHBondContact O-N 3.32Å; M114-W117 CarbonylContact O-C 3.46Å; W117-G119 PolarHBondContact O-N 3.35Å; W117-V120 HydrophobicContact CB-CB 3.73Å; W117-V120 HydrophobicContact CB-CG1 4.47Å; W117-V120 HydrophobicContact CB-CG2 3.85Å; W117-V120 WeakPolarHBondContact O-CB 3.34Å; W117-V120 PolarHBondContact O-N 2.92Å; W117-T150 HydrophobicContact CE3-CG2 4.26Å; W117-T150 HydrophobicContact CZ3-CG2 3.99Å; W117-K157 HydrophobicContact CD2-CD 3.95Å; W117-K157 HydrophobicContact CE3-CD 4.47Å; W117-K157 HydrophobicContact CG-CD 4.18Å; W117-K157 HydrophobicContact CH2-CB 3.94Å; W117-K157 HydrophobicContact CZ2-CB 3.74Å; W117-K157 HydrophobicContact CZ2-CD 4.23Å; W117-K157 HydrophobicContact CZ2-CG 4Å; W117-M160 HydrophobicContact CH2-CB 4.05Å; W117-M160 HydrophobicContact CH2-CG 4.05Å; W117-M160 HydrophobicContact CZ2-CB 3.86Å; W117-M160 HydrophobicContact CZ2-CG 3.82Å; W117-L161 HydrophobicContact CH2-CB 4.29Å; W117-L164 HydrophobicContact CH2-CD1 4.17Å; W117-L164 HydrophobicContact CZ3-CD1 3.88Å
118	P	96.8	Very high	95.4	Very high	119 Å²	119	42.3 Å²	42.3	77%	0.773	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.5	177.2	-27.2	35.3	0	0	0	111.9	V120	P118-V120 VanDerWaalsContact C-N 3.33Å
119	G	95.2	Very high	95.9	Very high	85 Å²	85	39.9 Å²	39.9	88%	0.876	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	-4.2	-178.3	0	0	0	0	0	115.4	W117	W117-G119 PolarHBondContact O-N 3.35Å
120	V	98.4	Very high	95.6	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.097	24%	0.239	C	C	.	.			trans	-102.3	134.9	173.5	-178.4	0	0	0	0	109.4	V113 W117 P118 T150	V113-V120 HydrophobicContact CG1-CG1 4.4Å; W117-V120 HydrophobicContact CB-CB 3.73Å; W117-V120 HydrophobicContact CB-CG1 4.47Å; W117-V120 HydrophobicContact CB-CG2 3.85Å; W117-V120 WeakPolarHBondContact O-CB 3.34Å; W117-V120 PolarHBondContact O-N 2.92Å; P118-V120 VanDerWaalsContact C-N 3.33Å; V120-T150 HydrophobicContact CG1-CG2 4.04Å
121	R	98.5	Very high	95.5	Very high	104 Å²	104	47 Å²	47	39%	0.392	26%	0.263	S	S	.	.			trans	-108.4	160.1	176.1	-74.7	-171.7	-67.5	174.5	-0.8	111.2	P82 D83 I85 M114 S151	P82-R121 PolarHBondContact O-NH1 2.82Å; D83-R121 WeakPolarHBondContact O-CB 3.34Å; I85-R121 HydrophobicContact CD1-CB 4.48Å; I85-R121 HydrophobicContact CG1-CB 4.39Å; M114-R121 HydrophobicContact CG-CG 4.47Å; R121-S151 PolarHBondContact N-OG 2.93Å; R121-S151 WeakPolarHBondContact O-CB 3.34Å; R121-S151 PolarHBondContact O-N 3.35Å; R121-S151 PolarHBondContact O-OG 3.08Å
122	L	98.8	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.2	168.3	-179.1	63.6	0	0	0	109.3	I84 I85 L106 L109 A110 V113 I148 L161	I84-L122 WeakPolarHBondContact CA-O 3.46Å; I84-L122 HydrophobicContact CD1-CD2 4.44Å; I84-L122 HydrophobicContact CG1-CD2 4.37Å; I85-L122 PolarHBondContact N-O 2.58Å; L106-L122 HydrophobicContact CD1-CD2 3.58Å; L106-L122 HydrophobicContact CG-CD2 3.97Å; L109-L122 HydrophobicContact CB-CD2 4.21Å; L109-L122 HydrophobicContact CD2-CD1 4.01Å; L109-L122 HydrophobicContact CD2-CD2 4.08Å; L109-L122 HydrophobicContact CG-CD1 4.23Å; L109-L122 HydrophobicContact CG-CD2 3.99Å; A110-L122 HydrophobicContact CB-CB 4.17Å; A110-L122 HydrophobicContact CB-CD2 4.12Å; V113-L122 HydrophobicContact CG2-CB 4.41Å; V113-L122 HydrophobicContact CG2-CD1 4.28Å; L122-I148 HydrophobicContact CD1-CB 4.07Å; L122-I148 HydrophobicContact CD1-CD1 4.11Å; L122-I148 HydrophobicContact CD1-CG2 4.33Å; L122-L161 HydrophobicContact CD1-CD1 4Å
123	R	98.8	Very high	95.4	Very high	30 Å²	30	48.8 Å²	48.8	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.4	177.9	177.1	175.8	174.7	-80.3	-10.1	111.4	I85 K87 I148 T149	I85-R123 HydrophobicContact CB-CB 4.14Å; I85-R123 HydrophobicContact CB-CG 4.09Å; I85-R123 HydrophobicContact CG2-CG 4.18Å; I85-R123 CarbonylContact O-C 3.51Å; I85-R123 WeakPolarHBondContact O-CA 3.42Å; K87-R123 VanDerWaalsContact CD-NH2 3.34Å; K87-R123 VanDerWaalsContact CG-NH2 3.26Å; R123-I148 CarbonylContact O-C 3.56Å; R123-I148 WeakPolarHBondContact O-CA 3.29Å; R123-T149 WeakPolarHBondContact CB-OG1 3.42Å; R123-T149 WeakPolarHBondContact CG-OG1 3.37Å; R123-T149 PolarHBondContact N-O 3.49Å; R123-T149 PolarHBondContact NH1-OG1 3.01Å; R123-T149 PolarHBondContact O-N 3.29Å; R123-T149 PolarHBondContact O-OG1 3.25Å
124	V	98.8	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.4	172.1	179.6	0	0	0	0	108.8	I84 I85 F86 K87 L106 E126 V146 D147 I148	I84-V124 HydrophobicContact CG2-CG2 3.86Å; I85-V124 PolarHBondContact O-N 2.93Å; F86-V124 HydrophobicContact CD1-CB 3.76Å; F86-V124 HydrophobicContact CD1-CG1 4.1Å; F86-V124 HydrophobicContact CD1-CG2 4.12Å; F86-V124 HydrophobicContact CE1-CB 3.97Å; F86-V124 HydrophobicContact CE1-CG1 4.29Å; F86-V124 HydrophobicContact CE1-CG2 3.81Å; F86-V124 HydrophobicContact CZ-CG2 4.45Å; K87-V124 WeakPolarHBondContact CB-O 3.12Å; K87-V124 PolarHBondContact N-O 3.28Å; L106-V124 HydrophobicContact CD1-CG2 4.13Å; L106-V124 HydrophobicContact CD2-CG2 3.88Å; V124-E126 WeakPolarHBondContact CG1-O 3.16Å; V124-V146 HydrophobicContact CG1-CG1 4.46Å; V124-D147 WeakPolarHBondContact CA-O 3.15Å; V124-I148 HydrophobicContact CG2-CG2 4.22Å
125	T	97.7	Very high	95	Very high	20 Å²	20	51.9 Å²	51.9	12%	0.123	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-22.3	175.9	44.1	0	0	0	0	114.2	K87 D147 T149	K87-T125 HydrophobicContact CD-CG2 4.19Å; T125-D147 PolarHBondContact N-O 2.73Å; T125-D147 WeakPolarHBondContact OG1-CB 3.29Å; T125-D147 PolarHBondContact OG1-O 3.37Å; T125-T149 HydrophobicContact CG2-CG2 4.07Å
126	E	98.2	Very high	94.8	Very high	22 Å²	22	54 Å²	54	10%	0.103	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	135.3	179.3	-170.2	63.9	-118	0	0	107.1	D95 V124 H134 V146 D147	D95-E126 VanDerWaalsContact OD1-C 3.3Å; D95-E126 WeakPolarHBondContact OD1-CA 3.2Å; V124-E126 WeakPolarHBondContact CG1-O 3.16Å; E126-H134 WeakPolarHBondContact CG-NE2 3.48Å; E126-V146 CarbonylContact O-C 3.44Å; E126-V146 VanDerWaalsContact O-CA 3.29Å; E126-V146 WeakPolarHBondContact O-CA 3.46Å; E126-D147 HydrophobicContact CB-CB 3.89Å; E126-D147 PolarHBondContact O-N 2.67Å
127	G	96.9	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.			trans	-127.4	-114.1	-180	0	0	0	0	0	111.5	D95 H140	D95-G127 PolarHBondContact OD1-N 2.98Å; G127-H140 PolarHBondContact O-ND1 3.05Å
128	W	98.1	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-81	118	171.4	171.6	64.4	0	0	0	110.3	I66 R68 F73 L76 A94 M97 E130 H140 Y141	I66-W128 VanDerWaalsContact O-CZ2 3.29Å; I66-W128 WeakPolarHBondContact O-CZ2 3.21Å; I66-W128 PolarHBondContact O-NE1 2.83Å; I66-W128 VanDerWaalsContact O-NE1 3.12Å; R68-W128 HydrophobicContact CG-CH2 3.51Å; R68-W128 HydrophobicContact CG-CZ3 4.16Å; F73-W128 AromaticContact CD2-CH2 3.95Å; F73-W128 HydrophobicContact CD2-CH2 3.95Å; F73-W128 AromaticContact CD2-CZ2 3.94Å; F73-W128 HydrophobicContact CD2-CZ2 3.94Å; F73-W128 HydrophobicContact CD2-CZ3 4.44Å; F73-W128 HydrophobicContact CE2-CD2 4.43Å; F73-W128 HydrophobicContact CE2-CE3 4.04Å; F73-W128 AromaticContact CE2-CH2 3.43Å; F73-W128 HydrophobicContact CE2-CH2 3.43Å; F73-W128 VanDerWaalsContact CE2-CH2 3.43Å; F73-W128 AromaticContact CE2-CZ2 3.84Å; F73-W128 HydrophobicContact CE2-CZ2 3.84Å; F73-W128 AromaticContact CE2-CZ3 3.54Å; F73-W128 HydrophobicContact CE2-CZ3 3.54Å; F73-W128 HydrophobicContact CZ-CH2 4.38Å; F73-W128 HydrophobicContact CZ-CZ3 4.27Å; L76-W128 HydrophobicContact CD1-CB 4.44Å; L76-W128 HydrophobicContact CD1-CD2 3.91Å; L76-W128 HydrophobicContact CD1-CG 3.79Å; A94-W128 HydrophobicContact CB-CE3 4.01Å; A94-W128 HydrophobicContact CB-CZ3 4.31Å; A94-W128 WeakPolarHBondContact CB-O 3.44Å; M97-W128 HydrophobicContact CB-CB 4.09Å; M97-W128 HydrophobicContact CB-CD2 4.36Å; M97-W128 HydrophobicContact CB-CE3 3.93Å; M97-W128 HydrophobicContact CB-CG 4.47Å; M97-W128 HydrophobicContact CG-CE3 4.16Å; M97-W128 WeakPolarHBondContact O-CB 3.23Å; W128-E130 HydrophobicContact CH2-CB 4.08Å; W128-E130 HydrophobicContact CZ2-CB 4.41Å; W128-E130 HydrophobicContact CZ3-CB 4.4Å; W128-H140 VanDerWaalsContact CA-O 3.31Å; W128-H140 WeakPolarHBondContact CA-O 3.44Å; W128-H140 VanDerWaalsContact CD1-O 3.31Å; W128-Y141 PolarHBondContact NE1-O 3.2Å
129	D	95.3	Very high	94.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.011	27%	0.268	C	S	.	.			trans	-96	125	-176.2	177.4	18.7	0	0	0	111.4	D131 G132 H133 H134 H140 Y141	D129-D131 PolarHBondContact OD1-N 3.41Å; D129-G132 PolarHBondContact OD1-N 3.21Å; D129-G132 PolarHBondContact OD2-N 3.28Å; D129-H133 IonicContact OD1-ND1 3.67Å; D129-H133 PolarHBondContact OD2-N 2.77Å; D129-H134 IonicContact OD2-CD2 2.76Å; D129-H134 PolarHBondContact OD2-CD2 3.23Å; D129-H134 IonicContact OD2-NE2 3.85Å; D129-H140 HydrophobicContact CB-CB 4.15Å; D129-H140 PolarHBondContact N-O 2.9Å; D129-Y141 HydrophobicContact CB-CD1 4.2Å; D129-Y141 HydrophobicContact CB-CE1 4.18Å; D129-Y141 WeakPolarHBondContact O-CD1 3.48Å; D129-Y141 VanDerWaalsContact OD2-CE1 3.27Å; D129-Y141 WeakPolarHBondContact OD2-CE1 3.09Å
130	E	91.1	Very high	94.8	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-97.2	-23.4	173.7	59.8	-168.8	101.4	0	0	113.6	K65 R68 T92 A94 W128	K65-E130 PolarHBondContact NZ-O 3.27Å; R68-E130 IonicContact CZ-OE1 3.04Å; R68-E130 VanDerWaalsContact CZ-OE1 3.26Å; R68-E130 IonicContact CZ-OE2 2.56Å; R68-E130 IonicContact NE-OE1 3.89Å; R68-E130 PolarHBondContact NE-OE1 3.05Å; R68-E130 IonicContact NE-OE2 2.68Å; R68-E130 PolarHBondContact NE-OE2 3.22Å; R68-E130 IonicContact NH2-OE1 3.26Å; R68-E130 PolarHBondContact NH2-OE1 3.44Å; R68-E130 IonicContact NH2-OE2 2.72Å; T92-E130 PolarHBondContact OG1-OE1 2.72Å; A94-E130 WeakPolarHBondContact CB-OE1 3.49Å; W128-E130 HydrophobicContact CH2-CB 4.08Å; W128-E130 HydrophobicContact CZ2-CB 4.41Å; W128-E130 HydrophobicContact CZ3-CB 4.4Å
131	D	88	Confident	94.8	Very high	96 Å²	96	44 Å²	44	51%	0.513	22%	0.224	S	C	.	.	S	Bend	trans	-88.9	-18.8	-166.3	-69	-31.4	0	0	0	114	D129 H133	D129-D131 PolarHBondContact OD1-N 3.41Å; D131-H133 WeakPolarHBondContact CB-CE1 3.26Å; D131-H133 IonicContact OD2-CE1 3.78Å
132	G	87.9	Confident	94.7	Very high	38 Å²	38	39.1 Å²	39.1	39%	0.392	21%	0.206	S	C	.	.			trans	91.7	32.9	173.2	0	0	0	0	0	114.1	D129 H134 Y141	D129-G132 PolarHBondContact OD1-N 3.21Å; D129-G132 PolarHBondContact OD2-N 3.28Å; G132-H134 VanDerWaalsContact C-N 3.27Å; G132-H134 PolarHBondContact O-N 3.22Å; G132-Y141 WeakPolarHBondContact CA-OH 3.29Å; G132-Y141 PolarHBondContact O-OH 3.05Å
133	H	87.8	Confident	94.6	Very high	129 Å²	129	39.1 Å²	39.1	60%	0.597	21%	0.206	S	C	*	.			trans	-78.2	-9.6	-177.5	-64.2	127.2	0	0	0	113.7	D129 D131	D129-H133 IonicContact OD1-ND1 3.67Å; D129-H133 PolarHBondContact OD2-N 2.77Å; D131-H133 WeakPolarHBondContact CB-CE1 3.26Å; D131-H133 IonicContact OD2-CE1 3.78Å
134	H	92.4	Very high	94.5	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.218	20%	0.201	C	C	.	.	S	Bend	trans	-108	170.2	-178.1	-56.6	-82.4	0	0	0	113.8	E126 D129 G132 S138 H140 Y141	E126-H134 WeakPolarHBondContact CG-NE2 3.48Å; D129-H134 IonicContact OD2-CD2 2.76Å; D129-H134 PolarHBondContact OD2-CD2 3.23Å; D129-H134 IonicContact OD2-NE2 3.85Å; G132-H134 VanDerWaalsContact C-N 3.27Å; G132-H134 PolarHBondContact O-N 3.22Å; H134-S138 WeakPolarHBondContact CB-OG 3.49Å; H134-H140 VanDerWaalsContact CD2-CB 3.49Å; H134-H140 WeakPolarHBondContact CD2-CB 3.46Å; H134-H140 AromaticContact CD2-CG 3.74Å; H134-H140 AromaticContact CE1-CD2 3.41Å; H134-H140 PolarHBondContact CE1-CD2 2.91Å; H134-H140 VanDerWaalsContact CE1-CD2 3.41Å; H134-H140 AromaticContact CE1-CE1 3.92Å; H134-H140 AromaticContact CE1-CG 3.63Å; H134-H140 AromaticContact CE1-ND1 3.95Å; H134-H140 AromaticContact CE1-NE2 3.65Å; H134-H140 AromaticContact ND1-CD2 3.68Å; H134-H140 AromaticContact NE2-CD2 3.6Å; H134-H140 AromaticContact NE2-CG 3.32Å; H134-H140 VanDerWaalsContact NE2-CG 3.32Å; H134-H140 AromaticContact NE2-ND1 3.65Å; H134-Y141 HydrophobicContact CB-CE2 4.46Å; H134-Y141 PolarHBondContact N-OH 2.79Å; H134-Y141 VanDerWaalsContact N-OH 3.13Å; H134-Y141 PolarHBondContact O-OH 3.38Å
135	S	90.9	Very high	94.5	Very high	85 Å²	85	37.9 Å²	37.9	59%	0.594	20%	0.201	S	C	*	.			trans	-57.1	151.5	172.7	59.8	0	0	0	0	112.3	E137 S138 Y141	S135-E137 PolarHBondContact O-N 3.28Å; S135-S138 WeakPolarHBondContact O-CB 3.47Å; S135-S138 PolarHBondContact O-N 3.15Å; S135-Y141 VanDerWaalsContact O-CE2 3.23Å; S135-Y141 WeakPolarHBondContact O-CE2 3.4Å
136	E	88.3	Confident	94.6	Very high	175 Å²	175	36.9 Å²	36.9	82%	0.818	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-40	-171.9	-64.7	-175.1	162.7	0	0	115.4
137	E	92.3	Very high	94.6	Very high	102 Å²	102	36.3 Å²	36.3	48%	0.477	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	39.1	-179.3	-64.4	-179.9	172	0	0	112.5	K54 Y62 S135	K54-E137 HydrophobicContact CD-CB 4.41Å; K54-E137 PolarHBondContact NZ-O 3.25Å; K54-E137 IonicContact NZ-OE2 3.93Å; K54-E137 PolarHBondContact NZ-OE2 2.83Å; Y62-E137 HydrophobicContact CD1-CB 4.2Å; Y62-E137 HydrophobicContact CD1-CG 4.1Å; Y62-E137 HydrophobicContact CD2-CB 4.31Å; Y62-E137 HydrophobicContact CE1-CG 4.48Å; Y62-E137 HydrophobicContact CG-CB 3.98Å; Y62-E137 HydrophobicContact CG-CG 4.38Å; S135-E137 PolarHBondContact O-N 3.28Å
138	S	97	Very high	94.7	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	19%	0.193	C	C	.	.			trans	-72.5	139	177.1	-178.9	0	0	0	0	111.6	H134 S135 H140 Y141	H134-S138 WeakPolarHBondContact CB-OG 3.49Å; S135-S138 WeakPolarHBondContact O-CB 3.47Å; S135-S138 PolarHBondContact O-N 3.15Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.32Å; S138-H140 PolarHBondContact OG-CD2 2.89Å; S138-H140 PolarHBondContact OG-N 3.08Å; S138-Y141 WeakPolarHBondContact O-CB 3.48Å; S138-Y141 PolarHBondContact O-N 2.8Å
139	L	97.6	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-73.5	-11.5	174.7	-63.4	-170.1	0	0	0	113.2	E53 S59 Y141 E142 R144 A145	E53-L139 HydrophobicContact CG-CD1 4.1Å; E53-L139 WeakPolarHBondContact OE1-CD1 3.48Å; S59-L139 VanDerWaalsContact CB-CD1 3.45Å; L139-Y141 PolarHBondContact O-N 3.11Å; L139-E142 PolarHBondContact O-N 2.9Å; L139-R144 HydrophobicContact CB-CB 4.17Å; L139-R144 PolarHBondContact O-N 2.88Å; L139-R144 VanDerWaalsContact O-N 3.14Å; L139-A145 HydrophobicContact CB-CB 3.94Å; L139-A145 PolarHBondContact O-N 3.21Å
140	H	98.3	Very high	94.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.3	-35.1	168.3	-75.3	-87.2	0	0	0	111.4	G127 W128 D129 H134 S138 E142 G143 D147 H182	G127-H140 PolarHBondContact O-ND1 3.05Å; W128-H140 VanDerWaalsContact CA-O 3.31Å; W128-H140 WeakPolarHBondContact CA-O 3.44Å; W128-H140 VanDerWaalsContact CD1-O 3.31Å; D129-H140 HydrophobicContact CB-CB 4.15Å; D129-H140 PolarHBondContact N-O 2.9Å; H134-H140 VanDerWaalsContact CD2-CB 3.49Å; H134-H140 WeakPolarHBondContact CD2-CB 3.46Å; H134-H140 AromaticContact CD2-CG 3.74Å; H134-H140 AromaticContact CE1-CD2 3.41Å; H134-H140 PolarHBondContact CE1-CD2 2.91Å; H134-H140 VanDerWaalsContact CE1-CD2 3.41Å; H134-H140 AromaticContact CE1-CE1 3.92Å; H134-H140 AromaticContact CE1-CG 3.63Å; H134-H140 AromaticContact CE1-ND1 3.95Å; H134-H140 AromaticContact CE1-NE2 3.65Å; H134-H140 AromaticContact ND1-CD2 3.68Å; H134-H140 AromaticContact NE2-CD2 3.6Å; H134-H140 AromaticContact NE2-CG 3.32Å; H134-H140 VanDerWaalsContact NE2-CG 3.32Å; H134-H140 AromaticContact NE2-ND1 3.65Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.32Å; S138-H140 PolarHBondContact OG-CD2 2.89Å; S138-H140 PolarHBondContact OG-N 3.08Å; H140-E142 PolarHBondContact O-N 3.18Å; H140-G143 PolarHBondContact O-N 3.39Å; H140-D147 IonicContact CE1-OD1 2.72Å; H140-D147 IonicContact CE1-OD2 2.86Å; H140-D147 IonicContact NE2-OD1 3.57Å; H140-D147 IonicContact NE2-OD2 3.81Å; H140-H182 AromaticContact CD2-CE1 3.68Å; H140-H182 AromaticContact NE2-CE1 3.21Å; H140-H182 PolarHBondContact NE2-CE1 3.33Å; H140-H182 AromaticContact NE2-ND1 3.24Å; H140-H182 PolarHBondContact NE2-ND1 2.69Å
141	Y	97.6	Very high	95.2	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.051	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-66.4	-9.1	177.5	-62.3	-37.6	0	0	0	114.6	Y62 K65 I66 W128 D129 G132 H134 S135 S138 L139	Y62-Y141 HydrophobicContact CE2-CD2 4.42Å; K65-Y141 HydrophobicContact CD-CD1 4.16Å; K65-Y141 HydrophobicContact CD-CG 4.16Å; K65-Y141 HydrophobicContact CG-CG 4.28Å; I66-Y141 PolarHBondContact N-O 3.35Å; W128-Y141 PolarHBondContact NE1-O 3.2Å; D129-Y141 HydrophobicContact CB-CD1 4.2Å; D129-Y141 HydrophobicContact CB-CE1 4.18Å; D129-Y141 WeakPolarHBondContact O-CD1 3.48Å; D129-Y141 VanDerWaalsContact OD2-CE1 3.27Å; D129-Y141 WeakPolarHBondContact OD2-CE1 3.09Å; G132-Y141 WeakPolarHBondContact CA-OH 3.29Å; G132-Y141 PolarHBondContact O-OH 3.05Å; H134-Y141 HydrophobicContact CB-CE2 4.46Å; H134-Y141 PolarHBondContact N-OH 2.79Å; H134-Y141 VanDerWaalsContact N-OH 3.13Å; H134-Y141 PolarHBondContact O-OH 3.38Å; S135-Y141 VanDerWaalsContact O-CE2 3.23Å; S135-Y141 WeakPolarHBondContact O-CE2 3.4Å; S138-Y141 WeakPolarHBondContact O-CB 3.48Å; S138-Y141 PolarHBondContact O-N 2.8Å; L139-Y141 PolarHBondContact O-N 3.11Å
142	E	96.4	Very high	95.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-116.6	6.5	-179.5	-66.1	-179.5	-158.9	0	0	112.8	Y62 E63 G64 I66 R72 L76 L139 H140 R144	Y62-E142 HydrophobicContact CD2-CG 4.45Å; Y62-E142 WeakPolarHBondContact CD2-OE1 3.41Å; Y62-E142 HydrophobicContact CE2-CG 4.35Å; Y62-E142 WeakPolarHBondContact CE2-OE1 3.24Å; E63-E142 WeakPolarHBondContact CA-OE1 3.43Å; E63-E142 PolarHBondContact N-OE1 3.04Å; G64-E142 PolarHBondContact N-OE1 3.03Å; G64-E142 VanDerWaalsContact O-CG 3.28Å; G64-E142 WeakPolarHBondContact O-CG 3.38Å; I66-E142 HydrophobicContact CD1-CB 4.38Å; R72-E142 IonicContact NH2-OE2 3.94Å; L76-E142 WeakPolarHBondContact CD2-O 3.45Å; L139-E142 PolarHBondContact O-N 2.9Å; H140-E142 PolarHBondContact O-N 3.18Å; E142-R144 HydrophobicContact CB-CB 4.35Å; E142-R144 HydrophobicContact CB-CG 4.09Å; E142-R144 PolarHBondContact O-N 3.21Å; E142-R144 VanDerWaalsContact OE2-CD 3.32Å; E142-R144 WeakPolarHBondContact OE2-CD 3.43Å; E142-R144 IonicContact OE2-CZ 3.7Å; E142-R144 IonicContact OE2-NE 3.44Å; E142-R144 IonicContact OE2-NH1 3.07Å; E142-R144 PolarHBondContact OE2-NH1 2.99Å
143	G	97.4	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	24.3	-174.9	0	0	0	0	0	112.8	M98 T99 H140	M98-G143 CarbonylContact C-O 3.59Å; M98-G143 VanDerWaalsContact CA-O 3.28Å; M98-G143 WeakPolarHBondContact CA-O 3.37Å; M98-G143 WeakPolarHBondContact CB-O 3.39Å; T99-G143 PolarHBondContact N-O 3.23Å; H140-G143 PolarHBondContact O-N 3.39Å
144	R	97.6	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.182	C	C	.	.			trans	-104.8	-1.4	-178.3	-75.4	170.7	56.8	-165	-1.6	112.8	S59 R61 T99 L139 E142 S184 V185	S59-R144 PolarHBondContact O-NH2 3.36Å; R61-R144 PolarHBondContact O-NH1 2.9Å; R61-R144 PolarHBondContact O-NH2 3.03Å; T99-R144 HydrophobicContact CG2-CG 3.61Å; L139-R144 HydrophobicContact CB-CB 4.17Å; L139-R144 PolarHBondContact O-N 2.88Å; L139-R144 VanDerWaalsContact O-N 3.14Å; E142-R144 HydrophobicContact CB-CB 4.35Å; E142-R144 HydrophobicContact CB-CG 4.09Å; E142-R144 PolarHBondContact O-N 3.21Å; E142-R144 VanDerWaalsContact OE2-CD 3.32Å; E142-R144 WeakPolarHBondContact OE2-CD 3.43Å; E142-R144 IonicContact OE2-CZ 3.7Å; E142-R144 IonicContact OE2-NE 3.44Å; E142-R144 IonicContact OE2-NH1 3.07Å; E142-R144 PolarHBondContact OE2-NH1 2.99Å; R144-S184 CarbonylContact O-C 3.56Å; R144-S184 WeakPolarHBondContact O-CA 3.1Å; R144-S184 WeakPolarHBondContact O-CB 3.49Å; R144-V185 HydrophobicContact CB-CG2 4.17Å; R144-V185 HydrophobicContact CG-CG2 4.36Å; R144-V185 PolarHBondContact NE-O 3.42Å; R144-V185 PolarHBondContact NH2-O 3.44Å; R144-V185 WeakPolarHBondContact O-CG2 3.44Å; R144-V185 PolarHBondContact O-N 2.86Å
145	A	98.4	Very high	96.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.4	176.9	0	0	0	0	0	111.3	L139 C183	L139-A145 HydrophobicContact CB-CB 3.94Å; L139-A145 PolarHBondContact O-N 3.21Å; A145-C183 CarbonylContact C-O 3.58Å; A145-C183 VanDerWaalsContact CA-O 3.26Å; A145-C183 WeakPolarHBondContact CA-O 3.29Å
146	V	98.8	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140	176.9	-70.2	0	0	0	0	109.4	L106 V124 E126 I148 F170 C183	L106-V146 HydrophobicContact CD1-CG2 4.1Å; V124-V146 HydrophobicContact CG1-CG1 4.46Å; E126-V146 CarbonylContact O-C 3.44Å; E126-V146 VanDerWaalsContact O-CA 3.29Å; E126-V146 WeakPolarHBondContact O-CA 3.46Å; V146-I148 HydrophobicContact CB-CG2 4.15Å; V146-I148 HydrophobicContact CG2-CG2 3.88Å; V146-F170 HydrophobicContact CG2-CE1 3.98Å; V146-F170 HydrophobicContact CG2-CZ 4.18Å; V146-C183 HydrophobicContact CG2-CB 3.95Å; V146-C183 PolarHBondContact N-O 2.73Å; V146-C183 PolarHBondContact O-N 2.6Å
147	D	98.7	Very high	97.7	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.7	166.2	-70.2	-22.9	0	0	0	109.1	V124 T125 E126 H140 H180 V181 H182	V124-D147 WeakPolarHBondContact CA-O 3.15Å; T125-D147 PolarHBondContact N-O 2.73Å; T125-D147 WeakPolarHBondContact OG1-CB 3.29Å; T125-D147 PolarHBondContact OG1-O 3.37Å; E126-D147 HydrophobicContact CB-CB 3.89Å; E126-D147 PolarHBondContact O-N 2.67Å; H140-D147 IonicContact CE1-OD1 2.72Å; H140-D147 IonicContact CE1-OD2 2.86Å; H140-D147 IonicContact NE2-OD1 3.57Å; H140-D147 IonicContact NE2-OD2 3.81Å; D147-H180 HydrophobicContact CB-CB 4.18Å; D147-H180 VanDerWaalsContact CB-CD2 3.44Å; D147-H180 WeakPolarHBondContact CB-CD2 3.29Å; D147-H180 VanDerWaalsContact CG-NE2 3.28Å; D147-H180 IonicContact OD1-CD2 3.38Å; D147-H180 PolarHBondContact OD1-CD2 2.76Å; D147-H180 VanDerWaalsContact OD1-CD2 3.29Å; D147-H180 IonicContact OD1-NE2 2.93Å; D147-H180 PolarHBondContact OD1-NE2 3.14Å; D147-H180 IonicContact OD2-CD2 3.3Å; D147-H180 PolarHBondContact OD2-CD2 2.79Å; D147-H180 IonicContact OD2-CE1 2.58Å; D147-H180 IonicContact OD2-NE2 3.9Å; D147-H180 PolarHBondContact OD2-NE2 3.06Å; D147-H180 VanDerWaalsContact OD2-NE2 3.09Å; D147-V181 WeakPolarHBondContact CA-O 3.44Å; D147-H182 WeakPolarHBondContact OD1-CA 3.36Å; D147-H182 WeakPolarHBondContact OD1-CB 3.47Å; D147-H182 IonicContact OD1-CG 3.06Å; D147-H182 IonicContact OD1-ND1 2.66Å; D147-H182 PolarHBondContact OD1-ND1 3.33Å
148	I	98.8	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.7	-169	62.1	166.5	0	0	0	113.4	L106 L109 L122 R123 V124 V146 L161 A165 H180 V181	L106-I148 HydrophobicContact CD1-CG2 4.14Å; L109-I148 HydrophobicContact CD2-CD1 3.4Å; L122-I148 HydrophobicContact CD1-CB 4.07Å; L122-I148 HydrophobicContact CD1-CD1 4.11Å; L122-I148 HydrophobicContact CD1-CG2 4.33Å; R123-I148 CarbonylContact O-C 3.56Å; R123-I148 WeakPolarHBondContact O-CA 3.29Å; V124-I148 HydrophobicContact CG2-CG2 4.22Å; V146-I148 HydrophobicContact CB-CG2 4.15Å; V146-I148 HydrophobicContact CG2-CG2 3.88Å; I148-L161 HydrophobicContact CD1-CD1 4.22Å; I148-L161 HydrophobicContact CD1-CD2 4.13Å; I148-L161 HydrophobicContact CD1-CG 4Å; I148-L161 HydrophobicContact CG1-CD2 4.15Å; I148-A165 HydrophobicContact CD1-CB 4.4Å; I148-H180 WeakPolarHBondContact O-CA 3.29Å; I148-V181 HydrophobicContact CG1-CB 3.99Å; I148-V181 VanDerWaalsContact CG1-O 3.28Å; I148-V181 WeakPolarHBondContact CG1-O 3.44Å; I148-V181 PolarHBondContact N-O 3.01Å; I148-V181 PolarHBondContact O-N 3.04Å
149	T	98.8	Very high	98	Very high	2 Å²	2	34 Å²	34	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	171.8	178.7	57.3	0	0	0	0	109.7	R123 T125 Y158 A179 H180	R123-T149 WeakPolarHBondContact CB-OG1 3.42Å; R123-T149 WeakPolarHBondContact CG-OG1 3.37Å; R123-T149 PolarHBondContact N-O 3.49Å; R123-T149 PolarHBondContact NH1-OG1 3.01Å; R123-T149 PolarHBondContact O-N 3.29Å; R123-T149 PolarHBondContact O-OG1 3.25Å; T125-T149 HydrophobicContact CG2-CG2 4.07Å; T149-Y158 WeakPolarHBondContact CB-OH 3.49Å; T149-Y158 HydrophobicContact CG2-CE1 4.4Å; T149-Y158 HydrophobicContact CG2-CE2 4.15Å; T149-Y158 VanDerWaalsContact CG2-OH 3.25Å; T149-Y158 WeakPolarHBondContact CG2-OH 3.49Å; T149-A179 WeakPolarHBondContact CG2-O 3.13Å; T149-H180 HydrophobicContact CG2-CB 4.09Å
150	T	98.7	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	151.7	163.5	53	0	0	0	0	110.3	W117 V120 D152 R153 K157 L161	W117-T150 HydrophobicContact CE3-CG2 4.26Å; W117-T150 HydrophobicContact CZ3-CG2 3.99Å; V120-T150 HydrophobicContact CG1-CG2 4.04Å; T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.44Å; T150-D152 PolarHBondContact OG1-OD1 2.91Å; T150-R153 WeakPolarHBondContact O-CA 3.26Å; T150-R153 PolarHBondContact O-N 3.03Å; T150-K157 HydrophobicContact CG2-CB 3.97Å; T150-K157 HydrophobicContact CG2-CD 4.09Å; T150-L161 HydrophobicContact CG2-CD2 4.37Å
151	S	98.4	Very high	98	Very high	34 Å²	34	36.1 Å²	36.1	24%	0.238	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.8	-178.8	60.6	0	0	0	0	113.8	I85 R121 R153	I85-S151 VanDerWaalsContact CD1-CB 3.47Å; R121-S151 PolarHBondContact N-OG 2.93Å; R121-S151 WeakPolarHBondContact O-CB 3.34Å; R121-S151 PolarHBondContact O-N 3.35Å; R121-S151 PolarHBondContact O-OG 3.08Å; S151-R153 VanDerWaalsContact C-N 3.28Å
152	D	98.1	Very high	98.1	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.5	176	65.2	-3.2	0	0	0	113.5	T150 D154 K157	T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.44Å; T150-D152 PolarHBondContact OG1-OD1 2.91Å; D152-D154 PolarHBondContact O-N 3.19Å; D152-D154 VanDerWaalsContact O-N 3.16Å; D152-D154 PolarHBondContact OD1-N 2.74Å; D152-K157 WeakPolarHBondContact OD2-CE 3.29Å; D152-K157 IonicContact OD2-NZ 3.65Å; D152-K157 PolarHBondContact OD2-NZ 2.77Å
153	R	98	Very high	98.1	Very high	168 Å²	168	37.7 Å²	37.7	63%	0.634	18%	0.177	S	C	*	.			trans	56.5	26	-179.8	-52.9	173.3	70.6	-176.7	4.2	113.4	T150 S151 R155	T150-R153 WeakPolarHBondContact O-CA 3.26Å; T150-R153 PolarHBondContact O-N 3.03Å; S151-R153 VanDerWaalsContact C-N 3.28Å; R153-R155 PolarHBondContact O-N 3.23Å
154	D	98	Very high	98.1	Very high	50 Å²	50	38.2 Å²	38.2	27%	0.267	18%	0.18	S	C	.	.			trans	-75.5	103	175.6	180	7.7	0	0	0	110.8	D152 N156 K157 Y158	D152-D154 PolarHBondContact O-N 3.19Å; D152-D154 VanDerWaalsContact O-N 3.16Å; D152-D154 PolarHBondContact OD1-N 2.74Å; D154-N156 PolarHBondContact O-N 3.45Å; D154-N156 VanDerWaalsContact O-N 3.11Å; D154-N156 WeakPolarHBondContact OD1-CB 3.33Å; D154-N156 PolarHBondContact OD1-N 2.82Å; D154-N156 PolarHBondContact OD1-ND2 2.76Å; D154-K157 HydrophobicContact CB-CD 4.17Å; D154-K157 HydrophobicContact CB-CG 4.15Å; D154-K157 WeakPolarHBondContact O-CB 3.17Å; D154-K157 PolarHBondContact O-N 2.78Å; D154-K157 IonicContact OD2-NZ 3.98Å; D154-K157 PolarHBondContact OD2-NZ 3.31Å; D154-Y158 WeakPolarHBondContact O-CD1 3.19Å; D154-Y158 WeakPolarHBondContact O-CE1 3.42Å
155	R	97	Very high	98	Very high	153 Å²	153	38.1 Å²	38.1	58%	0.577	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-60.5	-23.1	-178.1	-61.3	179.1	-177.2	176.7	-1.1	113.4	R153 K157 Y158 K178	R153-R155 PolarHBondContact O-N 3.23Å; R155-K157 PolarHBondContact O-N 2.8Å; R155-Y158 HydrophobicContact CB-CD2 4.45Å; R155-Y158 HydrophobicContact CB-CE2 4.38Å; R155-Y158 HydrophobicContact CG-CD2 4.49Å; R155-Y158 HydrophobicContact CG-CE2 3.98Å; R155-Y158 PolarHBondContact O-N 2.85Å; R155-K178 WeakPolarHBondContact CD-O 3.35Å
156	N	97.1	Very high	97.8	Very high	144 Å²	144	39.5 Å²	39.5	77%	0.77	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-66.8	-20.7	176.6	-58.6	-54	0	0	0	112.1	D154	D154-N156 PolarHBondContact O-N 3.45Å; D154-N156 VanDerWaalsContact O-N 3.11Å; D154-N156 WeakPolarHBondContact OD1-CB 3.33Å; D154-N156 PolarHBondContact OD1-N 2.82Å; D154-N156 PolarHBondContact OD1-ND2 2.76Å
157	K	98.3	Very high	97.3	Very high	36 Å²	36	43.8 Å²	43.8	16%	0.157	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-82.1	-18.1	177.8	-62.3	-174.5	176.2	82.4	0	113.1	W117 T150 D152 D154 R155 A159 M160 L161	W117-K157 HydrophobicContact CD2-CD 3.95Å; W117-K157 HydrophobicContact CE3-CD 4.47Å; W117-K157 HydrophobicContact CG-CD 4.18Å; W117-K157 HydrophobicContact CH2-CB 3.94Å; W117-K157 HydrophobicContact CZ2-CB 3.74Å; W117-K157 HydrophobicContact CZ2-CD 4.23Å; W117-K157 HydrophobicContact CZ2-CG 4Å; T150-K157 HydrophobicContact CG2-CB 3.97Å; T150-K157 HydrophobicContact CG2-CD 4.09Å; D152-K157 WeakPolarHBondContact OD2-CE 3.29Å; D152-K157 IonicContact OD2-NZ 3.65Å; D152-K157 PolarHBondContact OD2-NZ 2.77Å; D154-K157 HydrophobicContact CB-CD 4.17Å; D154-K157 HydrophobicContact CB-CG 4.15Å; D154-K157 WeakPolarHBondContact O-CB 3.17Å; D154-K157 PolarHBondContact O-N 2.78Å; D154-K157 IonicContact OD2-NZ 3.98Å; D154-K157 PolarHBondContact OD2-NZ 3.31Å; R155-K157 PolarHBondContact O-N 2.8Å; K157-A159 PolarHBondContact O-N 2.86Å; K157-M160 CarbonylContact O-C 3.59Å; K157-M160 PolarHBondContact O-N 2.76Å; K157-L161 PolarHBondContact O-N 3.42Å
158	Y	98.4	Very high	96.7	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-35.2	-166.8	-69.3	6.2	0	0	0	113.5	T149 D154 R155 M160 L161 A162 Y175 A179	T149-Y158 WeakPolarHBondContact CB-OH 3.49Å; T149-Y158 HydrophobicContact CG2-CE1 4.4Å; T149-Y158 HydrophobicContact CG2-CE2 4.15Å; T149-Y158 VanDerWaalsContact CG2-OH 3.25Å; T149-Y158 WeakPolarHBondContact CG2-OH 3.49Å; D154-Y158 WeakPolarHBondContact O-CD1 3.19Å; D154-Y158 WeakPolarHBondContact O-CE1 3.42Å; R155-Y158 HydrophobicContact CB-CD2 4.45Å; R155-Y158 HydrophobicContact CB-CE2 4.38Å; R155-Y158 HydrophobicContact CG-CD2 4.49Å; R155-Y158 HydrophobicContact CG-CE2 3.98Å; R155-Y158 PolarHBondContact O-N 2.85Å; Y158-M160 PolarHBondContact O-N 3.09Å; Y158-L161 HydrophobicContact CD1-CD2 4.45Å; Y158-L161 WeakPolarHBondContact O-CB 3.41Å; Y158-L161 PolarHBondContact O-N 2.86Å; Y158-A162 WeakPolarHBondContact O-CB 3.41Å; Y158-A162 PolarHBondContact O-N 2.67Å; Y158-Y175 WeakPolarHBondContact CB-OH 3.35Å; Y158-Y175 HydrophobicContact CD2-CE2 4.4Å; Y158-A179 VanDerWaalsContact CE2-C 3.49Å; Y158-A179 WeakPolarHBondContact CE2-O 3.34Å; Y158-A179 PolarHBondContact OH-O 2.88Å
159	A	97.9	Very high	96	Very high	24 Å²	24	45 Å²	45	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-40.3	172.9	0	0	0	0	0	111.9	P41 L42 K157 R163 Y175	P41-A159 WeakPolarHBondContact CA-O 3.14Å; P41-A159 HydrophobicContact CB-CB 3.73Å; L42-A159 PolarHBondContact N-O 2.88Å; L42-A159 VanDerWaalsContact O-CB 3.27Å; L42-A159 WeakPolarHBondContact O-CB 3.44Å; K157-A159 PolarHBondContact O-N 2.86Å; A159-R163 PolarHBondContact O-N 3.13Å; A159-Y175 HydrophobicContact CB-CD1 4.45Å; A159-Y175 HydrophobicContact CB-CE1 3.91Å
160	M	98.3	Very high	95.8	Very high	45 Å²	45	45.5 Å²	45.5	22%	0.222	22%	0.223	C	C	.	.	H	α-helix	trans	-79.9	-34.8	177.5	-175.2	59.3	83.3	0	0	111.8	L39 P41 L116 W117 K157 Y158 A162 R163 L164	L39-M160 HydrophobicContact CB-CE 4.43Å; L39-M160 HydrophobicContact CB-SD 4.14Å; P41-M160 HydrophobicContact CG-CE 3.8Å; P41-M160 HydrophobicContact CG-SD 4.47Å; L116-M160 HydrophobicContact CD2-CG 3.48Å; L116-M160 VanDerWaalsContact CD2-CG 3.48Å; L116-M160 HydrophobicContact CD2-SD 4.37Å; W117-M160 HydrophobicContact CH2-CB 4.05Å; W117-M160 HydrophobicContact CH2-CG 4.05Å; W117-M160 HydrophobicContact CZ2-CB 3.86Å; W117-M160 HydrophobicContact CZ2-CG 3.82Å; K157-M160 CarbonylContact O-C 3.59Å; K157-M160 PolarHBondContact O-N 2.76Å; Y158-M160 PolarHBondContact O-N 3.09Å; M160-A162 VanDerWaalsContact C-N 3.28Å; M160-A162 PolarHBondContact O-N 3.23Å; M160-R163 WeakPolarHBondContact O-CB 3.44Å; M160-R163 PolarHBondContact O-N 3.06Å; M160-R163 VanDerWaalsContact O-N 3.1Å; M160-R163 HydrophobicContact SD-CB 4.21Å; M160-R163 HydrophobicContact SD-CG 4.3Å; M160-L164 WeakPolarHBondContact O-CG 3.49Å; M160-L164 PolarHBondContact O-N 3.24Å
161	L	98.6	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-44.1	172.6	178	63.8	0	0	0	110.8	L109 V113 W117 L122 I148 T150 K157 Y158 R163 L164 A165	L109-L161 HydrophobicContact CD1-CD1 4.43Å; V113-L161 HydrophobicContact CG2-CD1 3.51Å; W117-L161 HydrophobicContact CH2-CB 4.29Å; L122-L161 HydrophobicContact CD1-CD1 4Å; I148-L161 HydrophobicContact CD1-CD1 4.22Å; I148-L161 HydrophobicContact CD1-CD2 4.13Å; I148-L161 HydrophobicContact CD1-CG 4Å; I148-L161 HydrophobicContact CG1-CD2 4.15Å; T150-L161 HydrophobicContact CG2-CD2 4.37Å; K157-L161 PolarHBondContact O-N 3.42Å; Y158-L161 HydrophobicContact CD1-CD2 4.45Å; Y158-L161 WeakPolarHBondContact O-CB 3.41Å; Y158-L161 PolarHBondContact O-N 2.86Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.28Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 2.92Å; L161-L164 VanDerWaalsContact O-N 3.15Å; L161-A165 PolarHBondContact O-N 3.37Å
162	A	98.4	Very high	95.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-40.3	175.3	0	0	0	0	0	111.9	L42 Y158 M160 A165 V166 V173 V181	L42-A162 HydrophobicContact CB-CB 3.94Å; L42-A162 HydrophobicContact CD1-CB 4.48Å; L42-A162 HydrophobicContact CD2-CB 4.06Å; L42-A162 HydrophobicContact CG-CB 4.37Å; Y158-A162 WeakPolarHBondContact O-CB 3.41Å; Y158-A162 PolarHBondContact O-N 2.67Å; M160-A162 VanDerWaalsContact C-N 3.28Å; M160-A162 PolarHBondContact O-N 3.23Å; A162-A165 PolarHBondContact O-N 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.21Å; A162-V166 PolarHBondContact O-N 3.38Å; A162-V166 VanDerWaalsContact O-N 3.11Å; A162-V173 HydrophobicContact CB-CG1 4.03Å; A162-V181 HydrophobicContact CB-CB 4.46Å; A162-V181 HydrophobicContact CB-CG1 3.64Å; A162-V181 HydrophobicContact CB-CG2 3.95Å
163	R	97.6	Very high	95.3	Very high	47 Å²	47	42.4 Å²	42.4	18%	0.177	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-44.2	172.8	170.5	54	61.2	-170.7	-3.9	111.3	L39 A40 L42 A159 M160 L161 A165 V166 E167	L39-R163 HydrophobicContact CB-CG 3.92Å; L39-R163 HydrophobicContact CD2-CG 4.09Å; A40-R163 PolarHBondContact O-NE 3.41Å; A40-R163 PolarHBondContact O-NH2 2.94Å; L42-R163 HydrophobicContact CD1-CB 4.13Å; A159-R163 PolarHBondContact O-N 3.13Å; M160-R163 WeakPolarHBondContact O-CB 3.44Å; M160-R163 PolarHBondContact O-N 3.06Å; M160-R163 VanDerWaalsContact O-N 3.1Å; M160-R163 HydrophobicContact SD-CB 4.21Å; M160-R163 HydrophobicContact SD-CG 4.3Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.28Å; R163-A165 VanDerWaalsContact C-N 3.25Å; R163-A165 PolarHBondContact O-N 3Å; R163-V166 WeakPolarHBondContact O-CB 3.43Å; R163-V166 PolarHBondContact O-N 2.73Å; R163-V166 VanDerWaalsContact O-N 3.15Å; R163-E167 IonicContact NH1-OE1 2.72Å; R163-E167 PolarHBondContact NH1-OE1 3.35Å; R163-E167 PolarHBondContact O-N 3.41Å
164	L	96.3	Very high	95.4	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-38.1	176.2	-68.2	-177.3	0	0	0	111.8	L39 L109 V113 L116 W117 M160 L161 V166 E167 A168	L39-L164 HydrophobicContact CD1-CD2 4.12Å; L109-L164 VanDerWaalsContact CD1-C 3.49Å; L109-L164 HydrophobicContact CD1-CB 3.54Å; V113-L164 HydrophobicContact CG2-CD1 4.16Å; L116-L164 HydrophobicContact CB-CD1 4.16Å; L116-L164 HydrophobicContact CD2-CD1 3.68Å; L116-L164 HydrophobicContact CD2-CD2 4.25Å; L116-L164 HydrophobicContact CD2-CG 4.16Å; W117-L164 HydrophobicContact CH2-CD1 4.17Å; W117-L164 HydrophobicContact CZ3-CD1 3.88Å; M160-L164 WeakPolarHBondContact O-CG 3.49Å; M160-L164 PolarHBondContact O-N 3.24Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 2.92Å; L161-L164 VanDerWaalsContact O-N 3.15Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.97Å; L164-E167 PolarHBondContact O-N 2.91Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.17Å; L164-A168 PolarHBondContact O-N 2.94Å
165	A	96.6	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-39.4	175.8	0	0	0	0	0	112.2	L109 I148 L161 A162 R163 A168 G169 F170 V173 C183	L109-A165 HydrophobicContact CD1-CB 4.34Å; L109-A165 HydrophobicContact CD2-CB 3.84Å; I148-A165 HydrophobicContact CD1-CB 4.4Å; L161-A165 PolarHBondContact O-N 3.37Å; A162-A165 PolarHBondContact O-N 3.3Å; R163-A165 VanDerWaalsContact C-N 3.25Å; R163-A165 PolarHBondContact O-N 3Å; A165-A168 PolarHBondContact O-N 3.36Å; A165-G169 PolarHBondContact O-N 2.98Å; A165-F170 HydrophobicContact CB-CD2 3.98Å; A165-F170 WeakPolarHBondContact O-CD2 3.06Å; A165-F170 PolarHBondContact O-N 2.96Å; A165-V173 HydrophobicContact CB-CG1 4.08Å; A165-V173 HydrophobicContact CB-CG2 3.8Å; A165-C183 VanDerWaalsContact CB-SG 3.56Å
166	V	94.2	Very high	95.2	Very high	30 Å²	30	30.8 Å²	30.8	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-45.8	173	174.3	0	0	0	0	110.8	L42 A162 R163 L164 A168 G169 V173	L42-V166 HydrophobicContact CD1-CG2 4.25Å; L42-V166 HydrophobicContact CD2-CG2 4.46Å; A162-V166 WeakPolarHBondContact O-CG2 3.21Å; A162-V166 PolarHBondContact O-N 3.38Å; A162-V166 VanDerWaalsContact O-N 3.11Å; R163-V166 WeakPolarHBondContact O-CB 3.43Å; R163-V166 PolarHBondContact O-N 2.73Å; R163-V166 VanDerWaalsContact O-N 3.15Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.97Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.19Å; V166-G169 PolarHBondContact O-N 3.3Å; V166-G169 VanDerWaalsContact O-N 3.13Å; V166-V173 HydrophobicContact CG2-CB 3.77Å; V166-V173 HydrophobicContact CG2-CG1 4.27Å; V166-V173 HydrophobicContact CG2-CG2 3.77Å
167	E	88.4	Confident	95.2	Very high	90 Å²	90	25.1 Å²	25.1	42%	0.421	13%	0.13	S	C	.	.	H	α-helix	trans	-71.4	-28.2	179.1	-58.6	-57.6	133.2	0	0	113.1	L39 R163 L164 G169	L39-E167 HydrophobicContact CD2-CG 3.62Å; R163-E167 IonicContact NH1-OE1 2.72Å; R163-E167 PolarHBondContact NH1-OE1 3.35Å; R163-E167 PolarHBondContact O-N 3.41Å; L164-E167 PolarHBondContact O-N 2.91Å; E167-G169 PolarHBondContact O-N 3.36Å
168	A	85.3	Confident	95	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-13	172.1	0	0	0	0	0	112.2	K105 L109 L164 A165 V166 F170	K105-A168 WeakPolarHBondContact CD-O 3.3Å; L109-A168 HydrophobicContact CB-CB 3.81Å; L109-A168 HydrophobicContact CD1-CB 4.29Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.17Å; L164-A168 PolarHBondContact O-N 2.94Å; A165-A168 PolarHBondContact O-N 3.36Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.19Å; A168-F170 HydrophobicContact CB-CD2 4.48Å
169	G	83.4	Confident	94.9	Very high	26 Å²	26	32.1 Å²	32.1	27%	0.268	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	28.1	172.3	0	0	0	0	0	114.2	K105 A165 V166 E167	K105-G169 WeakPolarHBondContact CD-O 3.19Å; K105-G169 WeakPolarHBondContact CE-O 3.24Å; A165-G169 PolarHBondContact O-N 2.98Å; V166-G169 PolarHBondContact O-N 3.3Å; V166-G169 VanDerWaalsContact O-N 3.13Å; E167-G169 PolarHBondContact O-N 3.36Å
170	F	94.1	Very high	94.9	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.057	17%	0.167	C	C	.	.			trans	-60	139.7	161.7	-80.6	-86.9	0	0	0	109.8	K105 L106 L109 V146 A165 A168 W172 V173 C183 V185	K105-F170 HydrophobicContact CB-CD1 4.16Å; K105-F170 HydrophobicContact CB-CD2 3.92Å; K105-F170 HydrophobicContact CB-CE1 4.02Å; K105-F170 HydrophobicContact CB-CE2 3.76Å; K105-F170 HydrophobicContact CB-CG 4.12Å; K105-F170 HydrophobicContact CB-CZ 3.82Å; L106-F170 HydrophobicContact CB-CZ 4.14Å; L106-F170 HydrophobicContact CD1-CZ 4.04Å; L109-F170 HydrophobicContact CB-CE2 4.18Å; L109-F170 HydrophobicContact CD2-CE2 3.86Å; V146-F170 HydrophobicContact CG2-CE1 3.98Å; V146-F170 HydrophobicContact CG2-CZ 4.18Å; A165-F170 HydrophobicContact CB-CD2 3.98Å; A165-F170 WeakPolarHBondContact O-CD2 3.06Å; A165-F170 PolarHBondContact O-N 2.96Å; A168-F170 HydrophobicContact CB-CD2 4.48Å; F170-W172 VanDerWaalsContact C-N 3.32Å; F170-V173 HydrophobicContact CB-CG2 3.64Å; F170-C183 HydrophobicContact CB-CB 4.45Å; F170-C183 HydrophobicContact CD1-CB 3.54Å; F170-C183 HydrophobicContact CD2-CB 4.31Å; F170-C183 HydrophobicContact CE1-CB 3.71Å; F170-C183 HydrophobicContact CE2-CB 4.46Å; F170-C183 HydrophobicContact CG-CB 3.85Å; F170-C183 HydrophobicContact CZ-CB 4.18Å; F170-V185 HydrophobicContact CD1-CG1 3.72Å; F170-V185 HydrophobicContact CE1-CG1 4.1Å
171	D	90.4	Very high	94.9	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	16%	0.157	C	C	.	.	S	Bend	trans	-75.5	-26.3	-174.2	-62.2	-71.1	0	0	0	112.1	P49 A58 R101 S184 V185 K186	P49-D171 WeakPolarHBondContact CD-O 3.41Å; A58-D171 WeakPolarHBondContact CA-O 3.29Å; R101-D171 IonicContact CZ-OD1 3.98Å; R101-D171 IonicContact CZ-OD2 3.05Å; R101-D171 IonicContact NE-OD1 3.8Å; R101-D171 IonicContact NE-OD2 3.96Å; R101-D171 PolarHBondContact NE-OD2 2.96Å; R101-D171 IonicContact NH2-OD1 3.2Å; R101-D171 PolarHBondContact NH2-OD1 2.84Å; R101-D171 IonicContact NH2-OD2 3.57Å; R101-D171 PolarHBondContact NH2-OD2 2.82Å; D171-S184 PolarHBondContact N-O 2.93Å; D171-S184 VanDerWaalsContact N-O 3.1Å; D171-V185 VanDerWaalsContact OD2-CA 3.28Å; D171-V185 WeakPolarHBondContact OD2-CA 2.74Å; D171-V185 WeakPolarHBondContact OD2-CB 3.24Å; D171-K186 HydrophobicContact CB-CG 4.02Å; D171-K186 WeakPolarHBondContact OD2-CB 3.37Å; D171-K186 PolarHBondContact OD2-N 2.82Å
172	W	97.6	Very high	94.9	Very high	17 Å²	17	30.7 Å²	30.7	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	134.2	170.3	-163.3	77.4	0	0	0	110.7	F47 S48 V51 E53 A58 S59 F170 Y174 H182 C183 S184	F47-W172 HydrophobicContact CB-CH2 4.2Å; F47-W172 HydrophobicContact CB-CZ2 3.43Å; F47-W172 VanDerWaalsContact CB-CZ2 3.43Å; F47-W172 HydrophobicContact CD1-CZ2 4.25Å; F47-W172 AromaticContact CD2-CZ2 3.98Å; F47-W172 HydrophobicContact CD2-CZ2 3.98Å; F47-W172 AromaticContact CD2-NE1 3.72Å; F47-W172 AromaticContact CG-CZ2 3.63Å; F47-W172 HydrophobicContact CG-CZ2 3.63Å; S48-W172 WeakPolarHBondContact O-CA 3.18Å; V51-W172 PolarHBondContact O-NE1 2.8Å; E53-W172 HydrophobicContact CB-CD2 3.66Å; E53-W172 HydrophobicContact CB-CE3 3.69Å; E53-W172 HydrophobicContact CB-CG 4.21Å; E53-W172 HydrophobicContact CB-CH2 4Å; E53-W172 HydrophobicContact CB-CZ2 3.99Å; E53-W172 HydrophobicContact CB-CZ3 3.85Å; E53-W172 HydrophobicContact CG-CB 4.43Å; E53-W172 HydrophobicContact CG-CD2 3.82Å; E53-W172 HydrophobicContact CG-CE3 3.57Å; E53-W172 HydrophobicContact CG-CG 4.22Å; E53-W172 HydrophobicContact CG-CZ3 4Å; A58-W172 HydrophobicContact CB-CB 4.03Å; A58-W172 VanDerWaalsContact CB-CD1 3.44Å; A58-W172 HydrophobicContact CB-CG 3.99Å; S59-W172 WeakPolarHBondContact OG-CB 3.47Å; F170-W172 VanDerWaalsContact C-N 3.32Å; W172-Y174 AromaticContact CH2-CD1 3.56Å; W172-Y174 HydrophobicContact CH2-CD1 3.56Å; W172-Y174 HydrophobicContact CH2-CD2 4.4Å; W172-Y174 HydrophobicContact CH2-CE1 4.44Å; W172-Y174 AromaticContact CH2-CG 3.54Å; W172-Y174 HydrophobicContact CH2-CG 3.54Å; W172-Y174 HydrophobicContact CZ2-CG 4.28Å; W172-Y174 AromaticContact CZ3-CD1 3.89Å; W172-Y174 HydrophobicContact CZ3-CD1 3.89Å; W172-Y174 AromaticContact CZ3-CG 3.93Å; W172-Y174 HydrophobicContact CZ3-CG 3.93Å; W172-H182 AromaticContact CE3-CD2 3.81Å; W172-H182 AromaticContact CZ3-CD2 3.59Å; W172-C183 WeakPolarHBondContact O-CA 3.41Å; W172-S184 PolarHBondContact N-O 2.9Å; W172-S184 VanDerWaalsContact N-O 3.16Å; W172-S184 PolarHBondContact O-N 2.81Å
173	V	98.6	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.4	177.8	179.4	0	0	0	0	108.8	L42 F47 S48 A162 A165 V166 F170 V181 H182	L42-V173 HydrophobicContact CD2-CG1 4.23Å; F47-V173 CarbonylContact C-O 3.44Å; F47-V173 WeakPolarHBondContact CA-O 3.46Å; F47-V173 WeakPolarHBondContact CB-O 3.43Å; S48-V173 PolarHBondContact N-O 2.78Å; S48-V173 PolarHBondContact O-N 2.74Å; A162-V173 HydrophobicContact CB-CG1 4.03Å; A165-V173 HydrophobicContact CB-CG1 4.08Å; A165-V173 HydrophobicContact CB-CG2 3.8Å; V166-V173 HydrophobicContact CG2-CB 3.77Å; V166-V173 HydrophobicContact CG2-CG1 4.27Å; V166-V173 HydrophobicContact CG2-CG2 3.77Å; F170-V173 HydrophobicContact CB-CG2 3.64Å; V173-V181 HydrophobicContact CG1-CG1 3.75Å; V173-H182 WeakPolarHBondContact CA-O 3.34Å
174	Y	98.4	Very high	95	Very high	43 Å²	43	28.4 Å²	28.4	17%	0.169	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.1	-178.7	174.3	-142.5	0	0	0	111	K45 F47 W172 E176 H182	K45-Y174 HydrophobicContact CD-CE2 4.21Å; K45-Y174 VanDerWaalsContact CD-OH 3.29Å; K45-Y174 WeakPolarHBondContact CD-OH 3.15Å; K45-Y174 PolarHBondContact NZ-OH 3.19Å; F47-Y174 HydrophobicContact CB-CD2 3.84Å; F47-Y174 HydrophobicContact CB-CG 4.19Å; F47-Y174 HydrophobicContact CD1-CD2 4.06Å; F47-Y174 HydrophobicContact CD1-CE2 4.23Å; F47-Y174 HydrophobicContact CG-CD2 4.45Å; W172-Y174 AromaticContact CH2-CD1 3.56Å; W172-Y174 HydrophobicContact CH2-CD1 3.56Å; W172-Y174 HydrophobicContact CH2-CD2 4.4Å; W172-Y174 HydrophobicContact CH2-CE1 4.44Å; W172-Y174 AromaticContact CH2-CG 3.54Å; W172-Y174 HydrophobicContact CH2-CG 3.54Å; W172-Y174 HydrophobicContact CZ2-CG 4.28Å; W172-Y174 AromaticContact CZ3-CD1 3.89Å; W172-Y174 HydrophobicContact CZ3-CD1 3.89Å; W172-Y174 AromaticContact CZ3-CG 3.93Å; W172-Y174 HydrophobicContact CZ3-CG 3.93Å; Y174-E176 HydrophobicContact CD1-CB 3.47Å; Y174-E176 VanDerWaalsContact CD1-CB 3.47Å; Y174-E176 HydrophobicContact CD1-CG 3.93Å; Y174-E176 HydrophobicContact CE1-CB 3.51Å; Y174-E176 HydrophobicContact CE1-CG 3.52Å; Y174-E176 HydrophobicContact CG-CB 4.14Å; Y174-E176 PolarHBondContact O-N 2.7Å; Y174-H182 PolarHBondContact N-O 2.9Å; Y174-H182 PolarHBondContact O-N 2.75Å
175	Y	98.1	Very high	94.8	Very high	22 Å²	22	27.9 Å²	27.9	9%	0.086	15%	0.148	C	C	.	.			trans	-76.9	73.5	169.3	-163.3	167.4	0	0	0	109.6	Y44 K45 Q46 Y158 A159 S177 V181	Y44-Y175 HydrophobicContact CD2-CD2 4.19Å; Y44-Y175 HydrophobicContact CD2-CE2 4.29Å; Y44-Y175 HydrophobicContact CD2-CG 4.49Å; K45-Y175 WeakPolarHBondContact CA-O 3.33Å; K45-Y175 PolarHBondContact N-O 2.71Å; Q46-Y175 PolarHBondContact O-N 3.41Å; Y158-Y175 WeakPolarHBondContact CB-OH 3.35Å; Y158-Y175 HydrophobicContact CD2-CE2 4.4Å; A159-Y175 HydrophobicContact CB-CD1 4.45Å; A159-Y175 HydrophobicContact CB-CE1 3.91Å; Y175-S177 WeakPolarHBondContact CD2-O 3.49Å; Y175-S177 WeakPolarHBondContact CE2-O 3.3Å; Y175-V181 HydrophobicContact CD2-CG2 4.23Å
176	E	94.3	Very high	94.3	Very high	63 Å²	63	28.8 Å²	28.8	29%	0.294	15%	0.152	S	C	.	.			trans	-65.7	-50.1	-168.2	179.1	172.2	-141	0	0	113.2	K45 Y174 H180 H182	K45-E176 WeakPolarHBondContact CD-O 3.43Å; K45-E176 VanDerWaalsContact CE-O 3.24Å; K45-E176 WeakPolarHBondContact CE-O 3.5Å; K45-E176 PolarHBondContact NZ-O 2.65Å; Y174-E176 HydrophobicContact CD1-CB 3.47Å; Y174-E176 VanDerWaalsContact CD1-CB 3.47Å; Y174-E176 HydrophobicContact CD1-CG 3.93Å; Y174-E176 HydrophobicContact CE1-CB 3.51Å; Y174-E176 HydrophobicContact CE1-CG 3.52Å; Y174-E176 HydrophobicContact CG-CB 4.14Å; Y174-E176 PolarHBondContact O-N 2.7Å; E176-H180 IonicContact OE2-CD2 2.77Å; E176-H180 IonicContact OE2-CE1 3.01Å; E176-H180 IonicContact OE2-NE2 3.6Å; E176-H180 PolarHBondContact OE2-NE2 3.36Å; E176-H182 HydrophobicContact CB-CB 4.07Å
177	S	95.7	Very high	93.7	Very high	25 Å²	25	27.6 Å²	27.6	18%	0.175	14%	0.144	C	C	.	.			trans	-134.5	166.6	-170.5	93.4	0	0	0	0	110.2	Y175 A179 H180	Y175-S177 WeakPolarHBondContact CD2-O 3.49Å; Y175-S177 WeakPolarHBondContact CE2-O 3.3Å; S177-A179 PolarHBondContact O-N 2.88Å; S177-A179 WeakPolarHBondContact OG-CA 3.4Å; S177-A179 WeakPolarHBondContact OG-CB 3.3Å; S177-A179 PolarHBondContact OG-N 3.16Å; S177-H180 PolarHBondContact OG-CE1 2.75Å; S177-H180 VanDerWaalsContact OG-CE1 3.31Å; S177-H180 PolarHBondContact OG-N 3.26Å; S177-H180 VanDerWaalsContact OG-N 3.13Å; S177-H180 PolarHBondContact OG-ND1 3.25Å
178	K	94.7	Very high	92.7	Very high	135 Å²	135	24.9 Å²	24.9	59%	0.587	13%	0.132	S	C	*	.	S	Bend	trans	-72.9	-7.9	171.4	-66.8	-174	-180	179.4	0	112.4	Y44 R155	Y44-K178 HydrophobicContact CD2-CG 4.48Å; Y44-K178 HydrophobicContact CE2-CG 4.03Å; R155-K178 WeakPolarHBondContact CD-O 3.35Å
179	A	96.3	Very high	91.3	Very high	52 Å²	52	28.4 Å²	28.4	43%	0.43	15%	0.147	S	C	.	.	S	Bend	trans	-97.8	-24.6	-175.6	0	0	0	0	0	113.1	T149 Y158 S177	T149-A179 WeakPolarHBondContact CG2-O 3.13Å; Y158-A179 VanDerWaalsContact CE2-C 3.49Å; Y158-A179 WeakPolarHBondContact CE2-O 3.34Å; Y158-A179 PolarHBondContact OH-O 2.88Å; S177-A179 PolarHBondContact O-N 2.88Å; S177-A179 WeakPolarHBondContact OG-CA 3.4Å; S177-A179 WeakPolarHBondContact OG-CB 3.3Å; S177-A179 PolarHBondContact OG-N 3.16Å
180	H	98.1	Very high	89.7	Confident	29 Å²	29	28.5 Å²	28.5	13%	0.134	14%	0.143	C	C	.	.			trans	-160.3	167.2	-176.5	64.6	-87.2	0	0	0	112.6	D147 I148 T149 E176 S177	D147-H180 HydrophobicContact CB-CB 4.18Å; D147-H180 VanDerWaalsContact CB-CD2 3.44Å; D147-H180 WeakPolarHBondContact CB-CD2 3.29Å; D147-H180 VanDerWaalsContact CG-NE2 3.28Å; D147-H180 IonicContact OD1-CD2 3.38Å; D147-H180 PolarHBondContact OD1-CD2 2.76Å; D147-H180 VanDerWaalsContact OD1-CD2 3.29Å; D147-H180 IonicContact OD1-NE2 2.93Å; D147-H180 PolarHBondContact OD1-NE2 3.14Å; D147-H180 IonicContact OD2-CD2 3.3Å; D147-H180 PolarHBondContact OD2-CD2 2.79Å; D147-H180 IonicContact OD2-CE1 2.58Å; D147-H180 IonicContact OD2-NE2 3.9Å; D147-H180 PolarHBondContact OD2-NE2 3.06Å; D147-H180 VanDerWaalsContact OD2-NE2 3.09Å; I148-H180 WeakPolarHBondContact O-CA 3.29Å; T149-H180 HydrophobicContact CG2-CB 4.09Å; E176-H180 IonicContact OE2-CD2 2.77Å; E176-H180 IonicContact OE2-CE1 3.01Å; E176-H180 IonicContact OE2-NE2 3.6Å; E176-H180 PolarHBondContact OE2-NE2 3.36Å; S177-H180 PolarHBondContact OG-CE1 2.75Å; S177-H180 VanDerWaalsContact OG-CE1 3.31Å; S177-H180 PolarHBondContact OG-N 3.26Å; S177-H180 VanDerWaalsContact OG-N 3.13Å; S177-H180 PolarHBondContact OG-ND1 3.25Å
181	V	98.6	Very high	87.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.5	167.9	178.5	0	0	0	0	107.6	D147 I148 A162 V173 Y175	D147-V181 WeakPolarHBondContact CA-O 3.44Å; I148-V181 HydrophobicContact CG1-CB 3.99Å; I148-V181 VanDerWaalsContact CG1-O 3.28Å; I148-V181 WeakPolarHBondContact CG1-O 3.44Å; I148-V181 PolarHBondContact N-O 3.01Å; I148-V181 PolarHBondContact O-N 3.04Å; A162-V181 HydrophobicContact CB-CB 4.46Å; A162-V181 HydrophobicContact CB-CG1 3.64Å; A162-V181 HydrophobicContact CB-CG2 3.95Å; V173-V181 HydrophobicContact CG1-CG1 3.75Å; Y175-V181 HydrophobicContact CD2-CG2 4.23Å
182	H	98.8	Very high	85	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.4	174.9	179	89.7	0	0	0	109.7	E53 H140 D147 W172 V173 Y174 E176	E53-H182 IonicContact OE1-CE1 2.94Å; E53-H182 IonicContact OE1-NE2 3.51Å; E53-H182 PolarHBondContact OE1-NE2 2.75Å; H140-H182 AromaticContact CD2-CE1 3.68Å; H140-H182 AromaticContact NE2-CE1 3.21Å; H140-H182 PolarHBondContact NE2-CE1 3.33Å; H140-H182 AromaticContact NE2-ND1 3.24Å; H140-H182 PolarHBondContact NE2-ND1 2.69Å; D147-H182 WeakPolarHBondContact OD1-CA 3.36Å; D147-H182 WeakPolarHBondContact OD1-CB 3.47Å; D147-H182 IonicContact OD1-CG 3.06Å; D147-H182 IonicContact OD1-ND1 2.66Å; D147-H182 PolarHBondContact OD1-ND1 3.33Å; W172-H182 AromaticContact CE3-CD2 3.81Å; W172-H182 AromaticContact CZ3-CD2 3.59Å; V173-H182 WeakPolarHBondContact CA-O 3.34Å; Y174-H182 PolarHBondContact N-O 2.9Å; Y174-H182 PolarHBondContact O-N 2.75Å; E176-H182 HydrophobicContact CB-CB 4.07Å
183	C	98.7	Very high	82.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134	177.4	-62.5	0	0	0	0	109.4	A145 V146 A165 F170 W172	A145-C183 CarbonylContact C-O 3.58Å; A145-C183 VanDerWaalsContact CA-O 3.26Å; A145-C183 WeakPolarHBondContact CA-O 3.29Å; V146-C183 HydrophobicContact CG2-CB 3.95Å; V146-C183 PolarHBondContact N-O 2.73Å; V146-C183 PolarHBondContact O-N 2.6Å; A165-C183 VanDerWaalsContact CB-SG 3.56Å; F170-C183 HydrophobicContact CB-CB 4.45Å; F170-C183 HydrophobicContact CD1-CB 3.54Å; F170-C183 HydrophobicContact CD2-CB 4.31Å; F170-C183 HydrophobicContact CE1-CB 3.71Å; F170-C183 HydrophobicContact CE2-CB 4.46Å; F170-C183 HydrophobicContact CG-CB 3.85Å; F170-C183 HydrophobicContact CZ-CB 4.18Å; W172-C183 WeakPolarHBondContact O-CA 3.41Å
184	S	98.3	Very high	79.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.5	177.7	63.3	0	0	0	0	113.1	E53 S59 R144 D171 W172	E53-S184 WeakPolarHBondContact CG-OG 3.49Å; E53-S184 VanDerWaalsContact OE1-CB 3.24Å; E53-S184 WeakPolarHBondContact OE1-CB 3.03Å; E53-S184 PolarHBondContact OE1-OG 3.19Å; S59-S184 WeakPolarHBondContact CB-OG 3.48Å; S59-S184 VanDerWaalsContact OG-C 3.25Å; S59-S184 PolarHBondContact OG-O 2.84Å; S59-S184 PolarHBondContact OG-OG 2.76Å; R144-S184 CarbonylContact O-C 3.56Å; R144-S184 WeakPolarHBondContact O-CA 3.1Å; R144-S184 WeakPolarHBondContact O-CB 3.49Å; D171-S184 PolarHBondContact N-O 2.93Å; D171-S184 VanDerWaalsContact N-O 3.1Å; W172-S184 PolarHBondContact N-O 2.9Å; W172-S184 VanDerWaalsContact N-O 3.16Å; W172-S184 PolarHBondContact O-N 2.81Å
185	V	93.1	Very high	77.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.			trans	-125.9	156	-177.9	-60.7	0	0	0	0	112.1	R101 C102 K105 R144 F170 D171	R101-V185 HydrophobicContact CB-CG2 4.48Å; R101-V185 HydrophobicContact CG-CB 4.1Å; R101-V185 HydrophobicContact CG-CG1 4.29Å; R101-V185 HydrophobicContact CG-CG2 4.38Å; C102-V185 HydrophobicContact CB-CG1 4.48Å; C102-V185 HydrophobicContact CB-CG2 3.7Å; K105-V185 HydrophobicContact CB-CG1 4.49Å; K105-V185 HydrophobicContact CG-CG1 4.08Å; R144-V185 HydrophobicContact CB-CG2 4.17Å; R144-V185 HydrophobicContact CG-CG2 4.36Å; R144-V185 PolarHBondContact NE-O 3.42Å; R144-V185 PolarHBondContact NH2-O 3.44Å; R144-V185 WeakPolarHBondContact O-CG2 3.44Å; R144-V185 PolarHBondContact O-N 2.86Å; F170-V185 HydrophobicContact CD1-CG1 3.72Å; F170-V185 HydrophobicContact CE1-CG1 4.1Å; D171-V185 VanDerWaalsContact OD2-CA 3.28Å; D171-V185 WeakPolarHBondContact OD2-CA 2.74Å; D171-V185 WeakPolarHBondContact OD2-CB 3.24Å
186	K	85.7	Confident	75.9	Confident	19 Å²	19	33 Å²	33	8%	0.083	18%	0.176	C	C	.	.			trans	-53.8	144.9	163.4	-82.6	-177.3	-170	-55.1	0	111.8	L56 A58 S59 R101 D171 S190	L56-K186 PolarHBondContact O-NZ 3.1Å; A58-K186 WeakPolarHBondContact O-CE 3.41Å; A58-K186 WeakPolarHBondContact O-CG 3.32Å; A58-K186 PolarHBondContact O-NZ 2.98Å; S59-K186 VanDerWaalsContact O-CA 3.27Å; S59-K186 WeakPolarHBondContact O-CA 3.17Å; R101-K186 WeakPolarHBondContact CD-O 3.32Å; D171-K186 HydrophobicContact CB-CG 4.02Å; D171-K186 WeakPolarHBondContact OD2-CB 3.37Å; D171-K186 PolarHBondContact OD2-N 2.82Å; K186-S190 WeakPolarHBondContact CB-OG 3.26Å
187	S	81	Confident	75.3	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.028	17%	0.166	C	C	.	.			trans	-62.7	150	173.4	178.6	0	0	0	0	110.8	E63 H189 S190	E63-S187 VanDerWaalsContact CD-CB 3.48Å; E63-S187 WeakPolarHBondContact OE1-CB 3.48Å; E63-S187 PolarHBondContact OE1-OG 3.26Å; E63-S187 PolarHBondContact OE2-OG 3.37Å; S187-H189 PolarHBondContact O-N 3.25Å; S187-H189 WeakPolarHBondContact OG-CB 3.24Å; S187-H189 PolarHBondContact OG-CD2 2.84Å; S187-H189 PolarHBondContact OG-N 2.72Å; S187-S190 PolarHBondContact N-OG 2.9Å; S187-S190 WeakPolarHBondContact O-CB 3.47Å; S187-S190 PolarHBondContact O-N 3.33Å; S187-S190 PolarHBondContact O-OG 3.19Å
188	E	66.8	Low	75.2	Confident	33 Å²	33	29.2 Å²	29.2	15%	0.154	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.5	166.3	-61	-56.1	147.2	0	0	112.1	T99 Q100 R101 K194	T99-E188 HydrophobicContact CG2-CG 4.43Å; Q100-E188 PolarHBondContact N-OE1 2.75Å; R101-E188 WeakPolarHBondContact CA-OE1 3.49Å; R101-E188 WeakPolarHBondContact CB-OE1 3.38Å; R101-E188 PolarHBondContact N-OE1 2.89Å; E188-K194 WeakPolarHBondContact O-CE 3.42Å
189	H	57.4	Low	75.3	Confident	83 Å²	83	22.8 Å²	22.8	38%	0.384	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.1	175.8	-54.9	-64.1	0	0	0	112.7	E63 E75 S187 V191	E63-H189 IonicContact OE2-CD2 3.73Å; E63-H189 PolarHBondContact OE2-CD2 2.99Å; E63-H189 VanDerWaalsContact OE2-CD2 3.29Å; E63-H189 IonicContact OE2-CG 3.82Å; E75-H189 VanDerWaalsContact CD-NE2 3.26Å; E75-H189 IonicContact OE1-CE1 3.25Å; E75-H189 PolarHBondContact OE1-CE1 3.49Å; E75-H189 IonicContact OE1-NE2 3.43Å; E75-H189 PolarHBondContact OE1-NE2 3.01Å; E75-H189 IonicContact OE2-CD2 2.82Å; E75-H189 IonicContact OE2-CE1 3.2Å; E75-H189 IonicContact OE2-NE2 2.67Å; E75-H189 PolarHBondContact OE2-NE2 3.32Å; S187-H189 PolarHBondContact O-N 3.25Å; S187-H189 WeakPolarHBondContact OG-CB 3.24Å; S187-H189 PolarHBondContact OG-CD2 2.84Å; S187-H189 PolarHBondContact OG-N 2.72Å; H189-V191 PolarHBondContact O-N 3.46Å
190	S	49.3	Very low	75.3	Confident	28 Å²	28	20.5 Å²	20.5	20%	0.196	11%	0.11	C	C	.	.	S	Bend	trans	-76	70.5	174.3	66.4	0	0	0	0	111.5	K186 S187 A192	K186-S190 WeakPolarHBondContact CB-OG 3.26Å; S187-S190 PolarHBondContact N-OG 2.9Å; S187-S190 WeakPolarHBondContact O-CB 3.47Å; S187-S190 PolarHBondContact O-N 3.33Å; S187-S190 PolarHBondContact O-OG 3.19Å; S190-A192 PolarHBondContact O-N 3.29Å
191	V	44.3	Very low	75.1	Confident	28 Å²	28	19.2 Å²	19.2	17%	0.17	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-20.6	133.2	179.9	0	0	0	0	119.1	H189 K253 E254	H189-V191 PolarHBondContact O-N 3.46Å; V191-K253 HydrophobicContact CB-CG 4.27Å; V191-K253 HydrophobicContact CG1-CD 4.24Å; V191-K253 HydrophobicContact CG1-CG 3.63Å; V191-K253 HydrophobicContact CG2-CG 4.07Å; V191-K253 WeakPolarHBondContact O-CE 3.4Å; V191-K253 PolarHBondContact O-NZ 2.67Å; V191-K253 VanDerWaalsContact O-NZ 3.08Å; V191-E254 HydrophobicContact CG1-CB 4.13Å; V191-E254 WeakPolarHBondContact CG1-O 3.27Å; V191-E254 HydrophobicContact CG2-CB 4.13Å; V191-E254 HydrophobicContact CG2-CG 4.19Å
192	A	41.4	Very low	75	Confident	5 Å²	5	21.4 Å²	21.4	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-6.2	-173	0	0	0	0	0	114.6	S190 W414	S190-A192 PolarHBondContact O-N 3.29Å; A192-W414 CarbonylContact C-O 3.51Å; A192-W414 HydrophobicContact CB-CB 3.11Å; A192-W414 HydrophobicContact CB-CD2 3.67Å; A192-W414 HydrophobicContact CB-CE3 3.28Å; A192-W414 HydrophobicContact CB-CG 3.66Å; A192-W414 HydrophobicContact CB-CZ3 4.39Å; A192-W414 CarbonylContact O-C 3.53Å; A192-W414 VanDerWaalsContact O-C 3.29Å
193	A	41.4	Very low	74.9	Confident	19 Å²	19	21 Å²	21	16%	0.157	13%	0.126	C	C	.	.	S	Bend	trans	-79.3	-38.5	172.9	0	0	0	0	0	114.4	A417	A193-A417 VanDerWaalsContact CA-CB 3.5Å; A193-A417 HydrophobicContact CB-CB 3.19Å
194	K	46.9	Very low	74.8	Confident	132 Å²	132	24 Å²	24	57%	0.574	14%	0.137	S	C	*	.	S	Bend	trans	-100.1	-21	-167	-71.9	-179.5	-179.7	172.2	0	116	E188 V391	E188-K194 WeakPolarHBondContact O-CE 3.42Å; K194-V391 WeakPolarHBondContact O-CG2 3.4Å
195	S	49.7	Very low	74.8	Confident	15 Å²	15	24 Å²	24	11%	0.105	14%	0.137	C	C	.	.			trans	-152.9	128.9	168.7	69.2	0	0	0	0	112.1	G197 C198 D246 K253	S195-G197 PolarHBondContact O-N 3.42Å; S195-C198 PolarHBondContact OG-SG 2.81Å; S195-D246 WeakPolarHBondContact CB-OD2 3.43Å; S195-D246 PolarHBondContact OG-OD2 2.95Å; S195-K253 PolarHBondContact O-NZ 2.98Å; S195-K253 PolarHBondContact OG-NZ 3.23Å
196	G	64	Low	74.9	Confident	14 Å²	14	25.2 Å²	25.2	14%	0.144	14%	0.144	C	C	.	.	S	Bend	trans	-61.2	-44.7	-172	0	0	0	0	0	114.2	A271 H272 A357	G196-A271 CarbonylContact O-C 3.32Å; G196-A271 VanDerWaalsContact O-CA 3.3Å; G196-A271 WeakPolarHBondContact O-CA 2.96Å; G196-A271 WeakPolarHBondContact O-CB 3.49Å; G196-H272 PolarHBondContact O-N 3.24Å; G196-A357 WeakPolarHBondContact O-CB 3.25Å
197	G	82.2	Confident	75.3	Confident	7 Å²	7	24.7 Å²	24.7	7%	0.072	14%	0.143	C	C	.	.			trans	-158.4	115.2	-170.8	0	0	0	0	0	112.4	S195 T269 H272 A338	S195-G197 PolarHBondContact O-N 3.42Å; G197-T269 WeakPolarHBondContact CA-OG1 3.2Å; G197-H272 WeakPolarHBondContact CA-ND1 3.48Å; G197-A338 VanDerWaalsContact O-CB 3.24Å; G197-A338 WeakPolarHBondContact O-CB 3.38Å
198	C	92.8	Very high	75.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.			trans	-134.6	161.8	177.6	-55.7	0	0	0	0	111.1	S195 D246 L268 T269 H272 V336 F337	S195-C198 PolarHBondContact OG-SG 2.81Å; C198-D246 PolarHBondContact SG-OD2 3.38Å; C198-L268 WeakPolarHBondContact O-CA 3.34Å; C198-T269 HydrophobicContact CB-CG2 3.93Å; C198-T269 PolarHBondContact N-OG1 3.13Å; C198-T269 PolarHBondContact O-N 3.1Å; C198-H272 PolarHBondContact N-ND1 3.17Å; C198-H272 VanDerWaalsContact N-ND1 3.12Å; C198-H272 PolarHBondContact O-ND1 3.03Å; C198-V336 HydrophobicContact CB-CB 3.79Å; C198-V336 HydrophobicContact CB-CG1 4.29Å; C198-F337 CarbonylContact C-O 3.57Å; C198-F337 WeakPolarHBondContact CA-O 3.35Å
199	F	96.1	Very high	76.9	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-106	154.3	165.4	-56.4	-74.7	0	0	0	109.9	A203 I215 F255 L266 L268 H272 F337 P339 L346 V348 A353	F199-A203 HydrophobicContact CB-CB 4.32Å; F199-I215 HydrophobicContact CB-CD1 3.5Å; F199-I215 HydrophobicContact CD2-CD1 3.85Å; F199-I215 HydrophobicContact CG-CD1 3.75Å; F199-F255 VanDerWaalsContact C-CE1 3.45Å; F199-L266 HydrophobicContact CD1-CD1 4.05Å; F199-L266 HydrophobicContact CE1-CD1 4.08Å; F199-L266 HydrophobicContact CE1-CD2 4.29Å; F199-L268 HydrophobicContact CD1-CB 4.21Å; F199-L268 HydrophobicContact CE1-CB 4.23Å; F199-H272 AromaticContact CD2-CE1 3.8Å; F199-H272 AromaticContact CE1-CE1 3.69Å; F199-H272 AromaticContact CE1-NE2 3.87Å; F199-H272 AromaticContact CE2-CE1 3.23Å; F199-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F199-H272 AromaticContact CE2-NE2 3.63Å; F199-H272 AromaticContact CZ-CE1 3.16Å; F199-H272 WeakPolarHBondContact CZ-CE1 3.48Å; F199-H272 AromaticContact CZ-NE2 3.2Å; F199-H272 WeakPolarHBondContact CZ-NE2 3.46Å; F199-F337 PolarHBondContact N-O 2.82Å; F199-F337 PolarHBondContact O-N 2.57Å; F199-P339 HydrophobicContact CD2-CG 4.42Å; F199-L346 HydrophobicContact CE2-CD1 3.92Å; F199-L346 HydrophobicContact CE2-CD2 3.9Å; F199-L346 HydrophobicContact CE2-CG 4.31Å; F199-L346 HydrophobicContact CZ-CD1 4.48Å; F199-L346 HydrophobicContact CZ-CD2 4.01Å; F199-L346 HydrophobicContact CZ-CG 4.45Å; F199-V348 HydrophobicContact CD1-CB 4.26Å; F199-V348 HydrophobicContact CD1-CG1 4Å; F199-V348 HydrophobicContact CD1-CG2 4.08Å; F199-V348 HydrophobicContact CD2-CG2 4.21Å; F199-V348 HydrophobicContact CE1-CB 4.09Å; F199-V348 HydrophobicContact CE1-CG1 4.34Å; F199-V348 HydrophobicContact CE1-CG2 3.77Å; F199-V348 HydrophobicContact CE2-CG2 3.9Å; F199-V348 HydrophobicContact CG-CG1 4.36Å; F199-V348 HydrophobicContact CG-CG2 4.28Å; F199-V348 HydrophobicContact CZ-CB 4.46Å; F199-V348 HydrophobicContact CZ-CG2 3.67Å; F199-A353 HydrophobicContact CE1-CB 4.17Å; F199-A353 HydrophobicContact CZ-CB 3.88Å
200	P	95.9	Very high	78.4	Confident	4 Å²	4	32 Å²	32	3%	0.026	20%	0.195	C	C	.	.			trans	-72.3	157.9	175	31.4	-34.7	0	0	0	111.2	G202 A203 F255 S267 D333 G335	P200-G202 PolarHBondContact O-N 3.24Å; P200-A203 HydrophobicContact CG-CB 3.96Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.7Å; P200-A203 VanDerWaalsContact O-N 3.13Å; P200-F255 HydrophobicContact CB-CD1 4.38Å; P200-F255 HydrophobicContact CB-CD2 4.26Å; P200-F255 HydrophobicContact CB-CE1 4.03Å; P200-F255 HydrophobicContact CB-CE2 3.9Å; P200-F255 HydrophobicContact CB-CG 4.5Å; P200-F255 HydrophobicContact CB-CZ 3.77Å; P200-F255 HydrophobicContact CG-CD1 4.33Å; P200-F255 HydrophobicContact CG-CE1 4.31Å; P200-F255 VanDerWaalsContact N-CE1 3.29Å; P200-S267 WeakPolarHBondContact CD-O 3.22Å; P200-D333 HydrophobicContact CB-CB 3.77Å; P200-G335 WeakPolarHBondContact CA-O 3.29Å
201	G	95.4	Very high	80.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.5	-178.8	0	0	0	0	0	113.9	A203 Q216 K334 F337	G201-A203 VanDerWaalsContact C-N 3.33Å; G201-Q216 WeakPolarHBondContact O-CG 3.49Å; G201-Q216 PolarHBondContact O-N 3.27Å; G201-K334 PolarHBondContact N-O 3.17Å; G201-F337 VanDerWaalsContact CA-CE2 3.49Å
202	G	95.7	Very high	82.8	Confident	46 Å²	46	37 Å²	37	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.4	178.6	0	0	0	0	0	115.4	P200	P200-G202 PolarHBondContact O-N 3.24Å
203	A	96.8	Very high	85.5	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	23%	0.233	C	C	.	.			trans	-69.3	154.8	171	0	0	0	0	0	110.6	F199 P200 G201 L214 I215 V348 N349	F199-A203 HydrophobicContact CB-CB 4.32Å; P200-A203 HydrophobicContact CG-CB 3.96Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.7Å; P200-A203 VanDerWaalsContact O-N 3.13Å; G201-A203 VanDerWaalsContact C-N 3.33Å; A203-L214 CarbonylContact O-C 3.59Å; A203-L214 WeakPolarHBondContact O-CA 3.28Å; A203-I215 HydrophobicContact CB-CD1 3.86Å; A203-I215 HydrophobicContact CB-CG1 4.32Å; A203-I215 PolarHBondContact O-N 2.93Å; A203-V348 HydrophobicContact CB-CG1 3.68Å; A203-N349 WeakPolarHBondContact CA-OD1 3.46Å
204	W	96.9	Very high	88.1	Confident	62 Å²	62	42.6 Å²	42.6	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.9	-175.9	60	-96.8	0	0	0	113.2	Q212 R213 L214 V348 N349	W204-Q212 HydrophobicContact CD2-CG 4.49Å; W204-Q212 HydrophobicContact CE3-CG 3.95Å; W204-Q212 HydrophobicContact CZ3-CG 4.28Å; W204-R213 CarbonylContact C-O 3.59Å; W204-R213 WeakPolarHBondContact CA-O 3.27Å; W204-L214 HydrophobicContact CB-CD2 4.27Å; W204-V348 CarbonylContact O-C 3.44Å; W204-V348 WeakPolarHBondContact O-CA 3.42Å; W204-N349 VanDerWaalsContact CD1-OD1 3.29Å; W204-N349 VanDerWaalsContact CZ2-C 3.48Å; W204-N349 VanDerWaalsContact CZ2-CA 3.5Å; W204-N349 HydrophobicContact CZ2-CB 4.39Å; W204-N349 PolarHBondContact N-OD1 3.02Å; W204-N349 PolarHBondContact O-N 2.86Å
205	V	97	Very high	90.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.8	174.8	-63.5	0	0	0	0	110.3	Q212 R213 I215 L218 V224 L346 V348	V205-Q212 WeakPolarHBondContact O-CA 3.22Å; V205-R213 HydrophobicContact CG2-CB 4.2Å; V205-R213 PolarHBondContact N-O 3.23Å; V205-R213 PolarHBondContact O-N 3.04Å; V205-I215 HydrophobicContact CG1-CD1 4.24Å; V205-I215 HydrophobicContact CG1-CG1 4Å; V205-L218 HydrophobicContact CG2-CD1 3.94Å; V205-L218 HydrophobicContact CG2-CD2 4.16Å; V205-V224 HydrophobicContact CB-CB 4.38Å; V205-V224 HydrophobicContact CB-CG1 4.2Å; V205-V224 HydrophobicContact CG2-CB 4.4Å; V205-V224 HydrophobicContact CG2-CG1 3.7Å; V205-L346 HydrophobicContact CG1-CD1 4.39Å; V205-V348 HydrophobicContact CG1-CG2 4.14Å
206	T	95.4	Very high	92.7	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.6	174.4	-55.7	0	0	0	0	110.1	V224 L225	T206-V224 CarbonylContact O-C 3.59Å; T206-V224 WeakPolarHBondContact O-CA 3.22Å; T206-L225 PolarHBondContact O-N 3.3Å
207	L	95.4	Very high	94.2	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.047	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-88.5	164.4	177.8	-61.6	179.7	0	0	0	111.9	D209 G210 G211 R213 L218 R223 V224 Y238	L207-D209 VanDerWaalsContact CB-OD1 3.23Å; L207-D209 WeakPolarHBondContact CB-OD1 3.45Å; L207-D209 PolarHBondContact O-N 2.98Å; L207-G210 PolarHBondContact O-N 3.4Å; L207-G211 PolarHBondContact N-O 3.11Å; L207-R213 HydrophobicContact CD1-CB 4.11Å; L207-R213 HydrophobicContact CD2-CB 4.19Å; L207-R213 HydrophobicContact CG-CB 4.14Å; L207-L218 HydrophobicContact CD2-CD1 4.44Å; L207-R223 WeakPolarHBondContact CA-O 3.23Å; L207-V224 HydrophobicContact CD2-CG1 4.02Å; L207-Y238 VanDerWaalsContact C-CE1 3.42Å; L207-Y238 WeakPolarHBondContact O-CE1 3.39Å
208	E	92.2	Very high	94.8	Very high	93 Å²	93	42.3 Å²	42.3	44%	0.435	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.8	177.7	-175.5	168	-142.2	0	0	114.1	G210 R223 Y238	E208-G210 PolarHBondContact O-N 3.36Å; E208-R223 HydrophobicContact CB-CB 4.18Å; E208-R223 PolarHBondContact N-O 3.45Å; E208-R223 VanDerWaalsContact N-O 3.09Å; E208-R223 IonicContact OE1-CZ 3.82Å; E208-R223 VanDerWaalsContact OE1-CZ 3.25Å; E208-R223 IonicContact OE1-NH1 3.55Å; E208-R223 PolarHBondContact OE1-NH1 3.44Å; E208-R223 IonicContact OE1-NH2 3.28Å; E208-R223 WeakPolarHBondContact OE2-CD 3.24Å; E208-R223 IonicContact OE2-CZ 3.33Å; E208-R223 VanDerWaalsContact OE2-CZ 3.28Å; E208-R223 IonicContact OE2-NE 3.93Å; E208-R223 IonicContact OE2-NH1 3.29Å; E208-R223 PolarHBondContact OE2-NH1 3.1Å; E208-Y238 VanDerWaalsContact CA-CD1 3.49Å; E208-Y238 VanDerWaalsContact CA-CE1 3.45Å; E208-Y238 HydrophobicContact CB-CD1 3.87Å; E208-Y238 HydrophobicContact CB-CD2 4.13Å; E208-Y238 HydrophobicContact CB-CE1 4.33Å; E208-Y238 HydrophobicContact CB-CG 3.77Å; E208-Y238 HydrophobicContact CG-CD1 4.5Å; E208-Y238 HydrophobicContact CG-CD2 3.85Å; E208-Y238 HydrophobicContact CG-CE2 4.32Å; E208-Y238 HydrophobicContact CG-CG 3.94Å
209	D	89.4	Confident	94.8	Very high	128 Å²	128	46.5 Å²	46.5	68%	0.684	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.5	174.9	65.6	3.4	0	0	0	113.5	L207 G211	L207-D209 VanDerWaalsContact CB-OD1 3.23Å; L207-D209 WeakPolarHBondContact CB-OD1 3.45Å; L207-D209 PolarHBondContact O-N 2.98Å; D209-G211 VanDerWaalsContact C-N 3.28Å; D209-G211 WeakPolarHBondContact OD1-CA 3.38Å; D209-G211 PolarHBondContact OD1-N 3.3Å
210	G	88	Confident	94.6	Very high	53 Å²	53	47.5 Å²	47.5	55%	0.546	26%	0.264	S	S	.	.	S	Bend	trans	84	-5	-176.2	0	0	0	0	0	114.2	L207 E208	L207-G210 PolarHBondContact O-N 3.4Å; E208-G210 PolarHBondContact O-N 3.36Å
211	G	92.1	Very high	94.5	Very high	30 Å²	30	48.8 Å²	48.8	31%	0.309	28%	0.278	S	S	.	.			trans	-70.3	159.6	174.8	0	0	0	0	0	112.7	L207 D209	L207-G211 PolarHBondContact N-O 3.11Å; D209-G211 VanDerWaalsContact C-N 3.28Å; D209-G211 WeakPolarHBondContact OD1-CA 3.38Å; D209-G211 PolarHBondContact OD1-N 3.3Å
212	Q	94.8	Very high	94.4	Very high	129 Å²	129	50.6 Å²	50.6	60%	0.603	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	170.3	-70.3	179.6	-21.9	0	0	110.2	W204 V205	W204-Q212 HydrophobicContact CD2-CG 4.49Å; W204-Q212 HydrophobicContact CE3-CG 3.95Å; W204-Q212 HydrophobicContact CZ3-CG 4.28Å; V205-Q212 WeakPolarHBondContact O-CA 3.22Å
213	R	96.7	Very high	94.4	Very high	76 Å²	76	53.4 Å²	53.4	29%	0.287	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.2	175	-173.1	153.6	-60.7	-171.1	20.6	110.8	W204 V205 L207 D217 L218 E222	W204-R213 CarbonylContact C-O 3.59Å; W204-R213 WeakPolarHBondContact CA-O 3.27Å; V205-R213 HydrophobicContact CG2-CB 4.2Å; V205-R213 PolarHBondContact N-O 3.23Å; V205-R213 PolarHBondContact O-N 3.04Å; L207-R213 HydrophobicContact CD1-CB 4.11Å; L207-R213 HydrophobicContact CD2-CB 4.19Å; L207-R213 HydrophobicContact CG-CB 4.14Å; R213-D217 HydrophobicContact CG-CB 4.35Å; R213-L218 HydrophobicContact CG-CB 4.42Å; R213-E222 VanDerWaalsContact CD-OE2 3.24Å; R213-E222 WeakPolarHBondContact CD-OE2 3.38Å; R213-E222 VanDerWaalsContact CZ-CD 3.5Å; R213-E222 IonicContact CZ-OE1 3.09Å; R213-E222 IonicContact CZ-OE2 3.6Å; R213-E222 IonicContact NE-OE1 3.44Å; R213-E222 IonicContact NE-OE2 3.71Å; R213-E222 IonicContact NH1-OE1 3.44Å; R213-E222 PolarHBondContact NH1-OE1 3.29Å; R213-E222 IonicContact NH1-OE2 2.75Å; R213-E222 PolarHBondContact NH1-OE2 2.84Å; R213-E222 IonicContact NH2-OE1 3.74Å; R213-E222 PolarHBondContact NH2-OE1 3.3Å
214	L	97.7	Very high	94.4	Very high	66 Å²	66	53.3 Å²	53.3	35%	0.346	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142.5	170.2	-61.5	178.8	0	0	0	109.7	A203 W204 Q216 D217 L218	A203-L214 CarbonylContact O-C 3.59Å; A203-L214 WeakPolarHBondContact O-CA 3.28Å; W204-L214 HydrophobicContact CB-CD2 4.27Å; L214-Q216 HydrophobicContact CB-CG 3.98Å; L214-Q216 PolarHBondContact O-N 3.48Å; L214-D217 CarbonylContact O-C 3.54Å; L214-D217 PolarHBondContact O-N 3.36Å; L214-L218 PolarHBondContact O-N 3.5Å
215	I	96.2	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.2	-33	-177.9	-74.9	-173.1	0	0	0	111.2	F199 A203 V205 D217 L218 F337 V348	F199-I215 HydrophobicContact CB-CD1 3.5Å; F199-I215 HydrophobicContact CD2-CD1 3.85Å; F199-I215 HydrophobicContact CG-CD1 3.75Å; A203-I215 HydrophobicContact CB-CD1 3.86Å; A203-I215 HydrophobicContact CB-CG1 4.32Å; A203-I215 PolarHBondContact O-N 2.93Å; V205-I215 HydrophobicContact CG1-CD1 4.24Å; V205-I215 HydrophobicContact CG1-CG1 4Å; I215-D217 PolarHBondContact O-N 3.13Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.15Å; I215-F337 HydrophobicContact CG2-CB 3.23Å; I215-F337 HydrophobicContact CG2-CD1 4.4Å; I215-F337 HydrophobicContact CG2-CD2 4.14Å; I215-F337 HydrophobicContact CG2-CG 3.71Å; I215-V348 HydrophobicContact CD1-CG1 3.67Å; I215-V348 HydrophobicContact CD1-CG2 3.99Å
216	Q	95.2	Very high	94.3	Very high	82 Å²	82	51.3 Å²	51.3	38%	0.383	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.8	-28	174.8	68.2	-176.8	9.9	0	0	113.9	G201 L214 F337	G201-Q216 WeakPolarHBondContact O-CG 3.49Å; G201-Q216 PolarHBondContact O-N 3.27Å; L214-Q216 HydrophobicContact CB-CG 3.98Å; L214-Q216 PolarHBondContact O-N 3.48Å; Q216-F337 HydrophobicContact CB-CE1 4.3Å; Q216-F337 HydrophobicContact CB-CE2 3.87Å; Q216-F337 HydrophobicContact CB-CZ 3.63Å
217	D	95.8	Very high	94.2	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-100.5	-7.3	-176.5	-60.5	-45.7	0	0	0	112.3	R213 L214 I215 Q219	R213-D217 HydrophobicContact CG-CB 4.35Å; L214-D217 CarbonylContact O-C 3.54Å; L214-D217 PolarHBondContact O-N 3.36Å; I215-D217 PolarHBondContact O-N 3.13Å; D217-Q219 PolarHBondContact O-NE2 3.28Å
218	L	95.1	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.			trans	-65.2	132.1	179.6	-177.4	65.5	0	0	0	110.9	V205 L207 R213 L214 I215 V224 V241 F244 P339	V205-L218 HydrophobicContact CG2-CD1 3.94Å; V205-L218 HydrophobicContact CG2-CD2 4.16Å; L207-L218 HydrophobicContact CD2-CD1 4.44Å; R213-L218 HydrophobicContact CG-CB 4.42Å; L214-L218 PolarHBondContact O-N 3.5Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.15Å; L218-V224 HydrophobicContact CD1-CG1 3.68Å; L218-V224 HydrophobicContact CD2-CG1 4.4Å; L218-V241 HydrophobicContact CD1-CG2 4.29Å; L218-V241 HydrophobicContact CD2-CG2 4.06Å; L218-V241 HydrophobicContact CG-CG2 4.35Å; L218-F244 HydrophobicContact CB-CZ 4.21Å; L218-F244 HydrophobicContact CD2-CZ 4.43Å; L218-F244 HydrophobicContact CG-CZ 4.38Å; L218-F244 WeakPolarHBondContact O-CE2 3.27Å; L218-F244 WeakPolarHBondContact O-CZ 3.02Å; L218-P339 HydrophobicContact CD2-CB 4.09Å; L218-P339 HydrophobicContact CD2-CG 4.43Å
219	Q	93.1	Very high	93.6	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	27%	0.272	S	S	.	.			trans	-111	149.1	-179.8	-59	-59.9	-29.6	0	0	112	D217 E222	D217-Q219 PolarHBondContact O-NE2 3.28Å; Q219-E222 HydrophobicContact CB-CG 4.17Å; Q219-E222 PolarHBondContact N-OE2 3.26Å; Q219-E222 WeakPolarHBondContact O-CA 2.82Å; Q219-E222 WeakPolarHBondContact O-CG 3.44Å; Q219-E222 PolarHBondContact O-N 3.11Å; Q219-E222 VanDerWaalsContact O-N 3.13Å
220	P	92.3	Very high	93.2	Very high	22 Å²	22	45.2 Å²	45.2	14%	0.143	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	145.4	166	-27.1	40.6	0	0	0	111.9	V241 F244 F386	P220-V241 CarbonylContact C-O 3.59Å; P220-V241 WeakPolarHBondContact CA-O 2.97Å; P220-F244 HydrophobicContact CG-CD2 4.33Å; P220-F244 HydrophobicContact CG-CE2 4.26Å; P220-F386 HydrophobicContact CB-CD1 4.34Å; P220-F386 HydrophobicContact CB-CE1 3.61Å; P220-F386 HydrophobicContact CB-CZ 4.26Å; P220-F386 HydrophobicContact CG-CD1 3.8Å; P220-F386 HydrophobicContact CG-CE1 3.49Å; P220-F386 VanDerWaalsContact CG-CE1 3.49Å
221	G	92.3	Very high	93	Very high	32 Å²	32	44.2 Å²	44.2	33%	0.33	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-19.2	-165.3	0	0	0	0	0	113.5	R223 V241	G221-R223 PolarHBondContact O-N 3.27Å; G221-V241 PolarHBondContact N-O 3.41Å
222	E	94.5	Very high	92.5	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.182	23%	0.227	C	C	.	.			trans	-45.3	124.2	168.4	52	125.1	69.7	0	0	113.7	R213 Q219 E240 V241	R213-E222 VanDerWaalsContact CD-OE2 3.24Å; R213-E222 WeakPolarHBondContact CD-OE2 3.38Å; R213-E222 VanDerWaalsContact CZ-CD 3.5Å; R213-E222 IonicContact CZ-OE1 3.09Å; R213-E222 IonicContact CZ-OE2 3.6Å; R213-E222 IonicContact NE-OE1 3.44Å; R213-E222 IonicContact NE-OE2 3.71Å; R213-E222 IonicContact NH1-OE1 3.44Å; R213-E222 PolarHBondContact NH1-OE1 3.29Å; R213-E222 IonicContact NH1-OE2 2.75Å; R213-E222 PolarHBondContact NH1-OE2 2.84Å; R213-E222 IonicContact NH2-OE1 3.74Å; R213-E222 PolarHBondContact NH2-OE1 3.3Å; Q219-E222 HydrophobicContact CB-CG 4.17Å; Q219-E222 PolarHBondContact N-OE2 3.26Å; Q219-E222 WeakPolarHBondContact O-CA 2.82Å; Q219-E222 WeakPolarHBondContact O-CG 3.44Å; Q219-E222 PolarHBondContact O-N 3.11Å; Q219-E222 VanDerWaalsContact O-N 3.13Å; E222-E240 CarbonylContact O-C 3.55Å; E222-E240 VanDerWaalsContact O-CA 3.32Å; E222-E240 WeakPolarHBondContact O-CA 3.47Å; E222-V241 WeakPolarHBondContact O-CG2 3.47Å; E222-V241 PolarHBondContact O-N 3.01Å
223	R	96.6	Very high	92	Very high	105 Å²	105	37.5 Å²	37.5	40%	0.396	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.8	169.9	-66.5	-171.5	68.2	-154	-2	110.8	L207 E208 G221 Y238 S239 E240	L207-R223 WeakPolarHBondContact CA-O 3.23Å; E208-R223 HydrophobicContact CB-CB 4.18Å; E208-R223 PolarHBondContact N-O 3.45Å; E208-R223 VanDerWaalsContact N-O 3.09Å; E208-R223 IonicContact OE1-CZ 3.82Å; E208-R223 VanDerWaalsContact OE1-CZ 3.25Å; E208-R223 IonicContact OE1-NH1 3.55Å; E208-R223 PolarHBondContact OE1-NH1 3.44Å; E208-R223 IonicContact OE1-NH2 3.28Å; E208-R223 WeakPolarHBondContact OE2-CD 3.24Å; E208-R223 IonicContact OE2-CZ 3.33Å; E208-R223 VanDerWaalsContact OE2-CZ 3.28Å; E208-R223 IonicContact OE2-NE 3.93Å; E208-R223 IonicContact OE2-NH1 3.29Å; E208-R223 PolarHBondContact OE2-NH1 3.1Å; G221-R223 PolarHBondContact O-N 3.27Å; R223-Y238 PolarHBondContact NE-O 2.94Å; R223-Y238 PolarHBondContact NH2-O 3.21Å; R223-S239 WeakPolarHBondContact CA-O 3.47Å; R223-E240 HydrophobicContact CG-CB 4.38Å
224	V	96.6	Very high	91.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.1	-174.5	-59.2	0	0	0	0	111.6	V205 T206 L207 L218 A226 Y238 S239 V241 T341	V205-V224 HydrophobicContact CB-CB 4.38Å; V205-V224 HydrophobicContact CB-CG1 4.2Å; V205-V224 HydrophobicContact CG2-CB 4.4Å; V205-V224 HydrophobicContact CG2-CG1 3.7Å; T206-V224 CarbonylContact O-C 3.59Å; T206-V224 WeakPolarHBondContact O-CA 3.22Å; L207-V224 HydrophobicContact CD2-CG1 4.02Å; L218-V224 HydrophobicContact CD1-CG1 3.68Å; L218-V224 HydrophobicContact CD2-CG1 4.4Å; V224-A226 PolarHBondContact O-N 2.89Å; V224-Y238 CarbonylContact O-C 3.59Å; V224-Y238 WeakPolarHBondContact O-CA 3.28Å; V224-S239 PolarHBondContact N-O 3.17Å; V224-S239 PolarHBondContact O-N 3.23Å; V224-V241 HydrophobicContact CB-CG2 4.41Å; V224-V241 HydrophobicContact CG1-CG2 3.76Å; V224-V241 HydrophobicContact CG2-CG2 3.74Å; V224-T341 HydrophobicContact CG2-CG2 3.79Å
225	L	95.6	Very high	91	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.9	175.9	-169.6	67.7	0	0	0	110.5	T206 L236 Y238 T309 S347	T206-L225 PolarHBondContact O-N 3.3Å; L225-L236 HydrophobicContact CD1-CB 4.09Å; L225-Y238 HydrophobicContact CB-CD1 4.36Å; L225-Y238 HydrophobicContact CB-CE1 3.99Å; L225-Y238 HydrophobicContact CD1-CD1 4.45Å; L225-Y238 HydrophobicContact CD1-CE1 3.98Å; L225-T309 HydrophobicContact CD2-CG2 4.07Å; L225-S347 WeakPolarHBondContact O-CB 3.45Å; L225-S347 PolarHBondContact O-N 3.2Å
226	A	95.1	Very high	90.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	173	-177.3	0	0	0	0	0	110.2	V224 L236 V237 T345	V224-A226 PolarHBondContact O-N 2.89Å; A226-L236 CarbonylContact O-C 3.54Å; A226-L236 WeakPolarHBondContact O-CA 3.32Å; A226-V237 PolarHBondContact N-O 3.03Å; A226-V237 PolarHBondContact O-N 3.06Å; A226-T345 VanDerWaalsContact CB-O 3.26Å; A226-T345 WeakPolarHBondContact CB-O 3.21Å
227	S	92.8	Very high	90.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.1	170.4	178.6	0	0	0	0	111	G229 G232 G234 T345	S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 3.47Å; S227-G229 PolarHBondContact OG-N 3.31Å; S227-G232 VanDerWaalsContact CB-O 3.31Å; S227-G232 WeakPolarHBondContact CB-O 2.96Å; S227-G232 VanDerWaalsContact OG-C 3.32Å; S227-G232 PolarHBondContact OG-O 2.75Å; S227-G234 PolarHBondContact OG-N 2.85Å; S227-G234 VanDerWaalsContact OG-N 3.13Å; S227-G234 PolarHBondContact OG-O 2.9Å; S227-T345 PolarHBondContact N-OG1 3.36Å; S227-T345 PolarHBondContact O-OG1 3.21Å
228	S	90.5	Very high	90.6	Very high	56 Å²	56	37.6 Å²	37.6	39%	0.392	21%	0.208	S	C	.	.	S	Bend	trans	-71.5	-21.5	176.4	55.6	0	0	0	0	113.9	E235	S228-E235 PolarHBondContact N-O 2.92Å; S228-E235 PolarHBondContact OG-N 2.81Å; S228-E235 PolarHBondContact OG-O 3.3Å
229	G	84.9	Confident	90.7	Very high	16 Å²	16	37.7 Å²	37.7	17%	0.165	21%	0.209	C	C	.	.	S	Bend	trans	-82.1	135.7	-178.7	0	0	0	0	0	111.8	S227 D231 G232	S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 3.47Å; S227-G229 PolarHBondContact OG-N 3.31Å; G229-D231 PolarHBondContact O-N 2.92Å; G229-G232 WeakPolarHBondContact O-CA 3.32Å; G229-G232 PolarHBondContact O-N 2.93Å
230	S	81.3	Confident	90.8	Very high	56 Å²	56	36.5 Å²	36.5	39%	0.392	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.1	179.6	73.8	0	0	0	0	113.6	F275 H362 D363	S230-F275 WeakPolarHBondContact O-CE1 3.49Å; S230-H362 PolarHBondContact O-CD2 2.83Å; S230-D363 WeakPolarHBondContact CB-OD1 3.17Å; S230-D363 PolarHBondContact OG-OD1 3.13Å
231	D	83.4	Confident	90.9	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.6	170.4	73.3	-10.3	0	0	0	112.9	G229 S233 F275 G290 M292	G229-D231 PolarHBondContact O-N 2.92Å; D231-S233 VanDerWaalsContact C-N 3.26Å; D231-S233 PolarHBondContact O-N 3.44Å; D231-S233 WeakPolarHBondContact OD1-CB 3.35Å; D231-S233 PolarHBondContact OD1-N 3.44Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-S233 PolarHBondContact OD2-OG 2.84Å; D231-S233 VanDerWaalsContact OD2-OG 3.07Å; D231-F275 WeakPolarHBondContact O-CD1 3.45Å; D231-F275 WeakPolarHBondContact O-CG 3.5Å; D231-G290 VanDerWaalsContact OD2-CA 3.26Å; D231-G290 WeakPolarHBondContact OD2-CA 3.43Å; D231-G290 PolarHBondContact OD2-N 3.36Å; D231-M292 HydrophobicContact CB-CB 4Å; D231-M292 WeakPolarHBondContact O-CB 3.42Å
232	G	82.3	Confident	91	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	81.2	-10.5	-177.9	0	0	0	0	0	115	S227 G229 G234 L307	S227-G232 VanDerWaalsContact CB-O 3.31Å; S227-G232 WeakPolarHBondContact CB-O 2.96Å; S227-G232 VanDerWaalsContact OG-C 3.32Å; S227-G232 PolarHBondContact OG-O 2.75Å; G229-G232 WeakPolarHBondContact O-CA 3.32Å; G229-G232 PolarHBondContact O-N 2.93Å; G232-G234 PolarHBondContact O-N 3.09Å; G232-L307 VanDerWaalsContact C-CD1 3.41Å; G232-L307 WeakPolarHBondContact O-CD1 3.46Å
233	S	84.5	Confident	90.9	Very high	16 Å²	16	33.1 Å²	33.1	11%	0.112	18%	0.178	C	C	.	.			trans	-86.3	0.3	-173.6	70.9	0	0	0	0	115.5	D231	D231-S233 VanDerWaalsContact C-N 3.26Å; D231-S233 PolarHBondContact O-N 3.44Å; D231-S233 WeakPolarHBondContact OD1-CB 3.35Å; D231-S233 PolarHBondContact OD1-N 3.44Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-S233 PolarHBondContact OD2-OG 2.84Å; D231-S233 VanDerWaalsContact OD2-OG 3.07Å
234	G	84.5	Confident	90.7	Very high	16 Å²	16	28.9 Å²	28.9	17%	0.165	16%	0.162	C	C	.	.	S	Bend	trans	-76.7	177.4	-178.1	0	0	0	0	0	113.8	S227 G232	S227-G234 PolarHBondContact OG-N 2.85Å; S227-G234 VanDerWaalsContact OG-N 3.13Å; S227-G234 PolarHBondContact OG-O 2.9Å; G232-G234 PolarHBondContact O-N 3.09Å
235	E	88.6	Confident	90.4	Very high	134 Å²	134	29.5 Å²	29.5	63%	0.626	17%	0.166	S	C	*	.			trans	-56.4	142.6	177.7	-66.1	-173	170.7	0	0	111.7	S228 V237 G318	S228-E235 PolarHBondContact N-O 2.92Å; S228-E235 PolarHBondContact OG-N 2.81Å; S228-E235 PolarHBondContact OG-O 3.3Å; E235-V237 PolarHBondContact O-N 3.1Å; E235-G318 CarbonylContact C-O 3.59Å; E235-G318 VanDerWaalsContact CA-O 3.27Å; E235-G318 WeakPolarHBondContact CA-O 3.47Å
236	L	90.9	Very high	90.1	Very high	46 Å²	46	29.1 Å²	29.1	24%	0.241	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.5	175.2	-62.5	-178.7	0	0	0	110	L225 A226 T309 G318	L225-L236 HydrophobicContact CD1-CB 4.09Å; A226-L236 CarbonylContact O-C 3.54Å; A226-L236 WeakPolarHBondContact O-CA 3.32Å; L236-T309 HydrophobicContact CD1-CG2 4.01Å; L236-T309 HydrophobicContact CD2-CG2 3.7Å; L236-G318 PolarHBondContact N-O 3.39Å
237	V	93.8	Very high	89.8	Confident	39 Å²	39	32.2 Å²	32.2	24%	0.236	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.6	-175.7	-64.2	0	0	0	0	110.5	A226 E235 S239	A226-V237 PolarHBondContact N-O 3.03Å; A226-V237 PolarHBondContact O-N 3.06Å; E235-V237 PolarHBondContact O-N 3.1Å; V237-S239 PolarHBondContact O-N 2.64Å
238	Y	95.1	Very high	89.6	Confident	72 Å²	72	34.1 Å²	34.1	28%	0.282	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.2	170.2	-70.1	-72.5	0	0	0	110.4	L207 E208 R223 V224 L225	L207-Y238 VanDerWaalsContact C-CE1 3.42Å; L207-Y238 WeakPolarHBondContact O-CE1 3.39Å; E208-Y238 VanDerWaalsContact CA-CD1 3.49Å; E208-Y238 VanDerWaalsContact CA-CE1 3.45Å; E208-Y238 HydrophobicContact CB-CD1 3.87Å; E208-Y238 HydrophobicContact CB-CD2 4.13Å; E208-Y238 HydrophobicContact CB-CE1 4.33Å; E208-Y238 HydrophobicContact CB-CG 3.77Å; E208-Y238 HydrophobicContact CG-CD1 4.5Å; E208-Y238 HydrophobicContact CG-CD2 3.85Å; E208-Y238 HydrophobicContact CG-CE2 4.32Å; E208-Y238 HydrophobicContact CG-CG 3.94Å; R223-Y238 PolarHBondContact NE-O 2.94Å; R223-Y238 PolarHBondContact NH2-O 3.21Å; V224-Y238 CarbonylContact O-C 3.59Å; V224-Y238 WeakPolarHBondContact O-CA 3.28Å; L225-Y238 HydrophobicContact CB-CD1 4.36Å; L225-Y238 HydrophobicContact CB-CE1 3.99Å; L225-Y238 HydrophobicContact CD1-CD1 4.45Å; L225-Y238 HydrophobicContact CD1-CE1 3.98Å
239	S	95.5	Very high	89.6	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.9	-178.7	-171.1	0	0	0	0	111.1	R223 V224 V237 R342 H343	R223-S239 WeakPolarHBondContact CA-O 3.47Å; V224-S239 PolarHBondContact N-O 3.17Å; V224-S239 PolarHBondContact O-N 3.23Å; V237-S239 PolarHBondContact O-N 2.64Å; S239-R342 PolarHBondContact OG-N 2.94Å; S239-H343 VanDerWaalsContact CB-ND1 3.32Å; S239-H343 WeakPolarHBondContact CB-ND1 3.32Å; S239-H343 PolarHBondContact OG-N 3.1Å; S239-H343 PolarHBondContact OG-ND1 2.93Å
240	E	95.4	Very high	89.5	Confident	63 Å²	63	36.9 Å²	36.9	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136.5	172.4	-172.6	-178.6	178.5	0	0	111.3	E222 R223 L242 T341 R342	E222-E240 CarbonylContact O-C 3.55Å; E222-E240 VanDerWaalsContact O-CA 3.32Å; E222-E240 WeakPolarHBondContact O-CA 3.47Å; R223-E240 HydrophobicContact CG-CB 4.38Å; E240-L242 HydrophobicContact CG-CD2 4.3Å; E240-T341 CarbonylContact O-C 3.29Å; E240-T341 VanDerWaalsContact O-CA 3.24Å; E240-T341 WeakPolarHBondContact O-CA 3.28Å; E240-R342 PolarHBondContact O-N 3.37Å
241	V	95.4	Very high	89.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.7	169.3	178.8	0	0	0	0	107.7	L218 P220 G221 E222 V224 P339 T341	L218-V241 HydrophobicContact CD1-CG2 4.29Å; L218-V241 HydrophobicContact CD2-CG2 4.06Å; L218-V241 HydrophobicContact CG-CG2 4.35Å; P220-V241 CarbonylContact C-O 3.59Å; P220-V241 WeakPolarHBondContact CA-O 2.97Å; G221-V241 PolarHBondContact N-O 3.41Å; E222-V241 WeakPolarHBondContact O-CG2 3.47Å; E222-V241 PolarHBondContact O-N 3.01Å; V224-V241 HydrophobicContact CB-CG2 4.41Å; V224-V241 HydrophobicContact CG1-CG2 3.76Å; V224-V241 HydrophobicContact CG2-CG2 3.74Å; V241-P339 HydrophobicContact CG1-CB 4.28Å; V241-T341 HydrophobicContact CG2-CG2 4.37Å
242	L	93	Very high	89.6	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-43.4	-172.9	-57.5	176.3	0	0	0	112	E240 L340 R342 R373 H376	E240-L242 HydrophobicContact CG-CD2 4.3Å; L242-L340 PolarHBondContact N-O 3.14Å; L242-R342 HydrophobicContact CD1-CB 4.39Å; L242-R373 HydrophobicContact CD1-CB 4.06Å; L242-R373 HydrophobicContact CD1-CG 3.69Å; L242-H376 HydrophobicContact CB-CB 4.32Å; L242-H376 HydrophobicContact CD2-CB 4.28Å; L242-H376 PolarHBondContact O-CE1 2.88Å; L242-H376 PolarHBondContact O-ND1 3.46Å
243	T	92.5	Very high	89.3	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.086	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-179.5	-177.4	-169.2	0	0	0	0	109.9	L340 L372	T243-L340 HydrophobicContact CG2-CB 4.26Å; T243-L340 HydrophobicContact CG2-CD2 4.2Å; T243-L340 PolarHBondContact O-N 2.98Å; T243-L372 HydrophobicContact CG2-CD2 4.4Å
244	F	92	Very high	89.1	Confident	15 Å²	15	45 Å²	45	7%	0.066	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.8	168.5	-71.4	-99.7	0	0	0	109.7	L218 P220 D246 R247 F337 A338 P339	L218-F244 HydrophobicContact CB-CZ 4.21Å; L218-F244 HydrophobicContact CD2-CZ 4.43Å; L218-F244 HydrophobicContact CG-CZ 4.38Å; L218-F244 WeakPolarHBondContact O-CE2 3.27Å; L218-F244 WeakPolarHBondContact O-CZ 3.02Å; P220-F244 HydrophobicContact CG-CD2 4.33Å; P220-F244 HydrophobicContact CG-CE2 4.26Å; F244-D246 VanDerWaalsContact C-N 3.31Å; F244-R247 HydrophobicContact CB-CB 4.06Å; F244-R247 HydrophobicContact CG-CB 4.43Å; F244-F337 HydrophobicContact CD1-CB 4.26Å; F244-F337 HydrophobicContact CD1-CD1 4.28Å; F244-F337 HydrophobicContact CE1-CB 4.11Å; F244-F337 AromaticContact CE1-CD1 3.99Å; F244-F337 HydrophobicContact CE1-CD1 3.99Å; F244-A338 CarbonylContact C-O 3.55Å; F244-A338 WeakPolarHBondContact CA-O 3.2Å; F244-P339 HydrophobicContact CD1-CB 4.18Å; F244-P339 HydrophobicContact CE1-CB 3.92Å; F244-P339 HydrophobicContact CE1-CG 4.48Å; F244-P339 HydrophobicContact CZ-CB 4.42Å
245	L	91.1	Very high	89.4	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-23.8	174.5	-59.3	-175.1	0	0	0	112.5	A338 L340 Y356 F369 L372 H392	L245-A338 HydrophobicContact CB-CB 3.99Å; L245-A338 PolarHBondContact N-O 3.2Å; L245-L340 HydrophobicContact CD1-CD1 4.49Å; L245-L340 HydrophobicContact CD2-CB 4.04Å; L245-L340 HydrophobicContact CD2-CD2 4.01Å; L245-L340 HydrophobicContact CD2-CG 4.47Å; L245-L340 HydrophobicContact CG-CB 4.02Å; L245-Y356 HydrophobicContact CD1-CD1 4.35Å; L245-F369 HydrophobicContact CD1-CE1 4.11Å; L245-F369 HydrophobicContact CD1-CE2 4.29Å; L245-F369 HydrophobicContact CD1-CZ 3.87Å; L245-F369 HydrophobicContact CD2-CD1 4.08Å; L245-F369 HydrophobicContact CD2-CE1 3.48Å; L245-F369 VanDerWaalsContact CD2-CE1 3.48Å; L245-F369 HydrophobicContact CD2-CZ 4.03Å; L245-F369 HydrophobicContact CG-CE1 4.43Å; L245-L372 HydrophobicContact CD2-CD2 4.35Å; L245-H392 WeakPolarHBondContact O-CB 3.23Å; L245-H392 PolarHBondContact O-N 3.08Å
246	D	88.8	Confident	89.5	Confident	11 Å²	11	39.2 Å²	39.2	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	137.4	172.8	-174.8	21.5	0	0	0	108.1	S195 C198 F244 F337 A338 G390 V391	S195-D246 WeakPolarHBondContact CB-OD2 3.43Å; S195-D246 PolarHBondContact OG-OD2 2.95Å; C198-D246 PolarHBondContact SG-OD2 3.38Å; F244-D246 VanDerWaalsContact C-N 3.31Å; D246-F337 CarbonylContact O-C 3.53Å; D246-F337 WeakPolarHBondContact O-CA 3.49Å; D246-A338 HydrophobicContact CB-CB 4Å; D246-A338 PolarHBondContact O-N 2.87Å; D246-G390 WeakPolarHBondContact CA-O 3.18Å; D246-V391 HydrophobicContact CB-CG2 4.45Å; D246-V391 PolarHBondContact OD1-N 3.25Å
247	R	89.6	Confident	89.8	Confident	65 Å²	65	37.4 Å²	37.4	25%	0.245	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	108.8	178.8	-179.4	175.5	-177.2	149.4	7.1	110.5	F244 V336 F337 T389 G390	F244-R247 HydrophobicContact CB-CB 4.06Å; F244-R247 HydrophobicContact CG-CB 4.43Å; R247-V336 CarbonylContact C-O 3.52Å; R247-V336 WeakPolarHBondContact CA-O 3.46Å; R247-F337 HydrophobicContact CG-CD1 3.87Å; R247-F337 HydrophobicContact CG-CE1 3.8Å; R247-T389 CarbonylContact O-C 3.57Å; R247-T389 VanDerWaalsContact O-CA 3.25Å; R247-T389 WeakPolarHBondContact O-CA 3.25Å; R247-G390 PolarHBondContact N-O 3.44Å; R247-G390 PolarHBondContact O-N 2.92Å
248	D	89.1	Confident	89.9	Confident	40 Å²	40	35.6 Å²	35.6	21%	0.214	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	103.9	169.4	-179.1	-13.5	0	0	0	109.9	A250 T251 G335 V336	D248-A250 VanDerWaalsContact C-N 3.3Å; D248-A250 PolarHBondContact O-N 3.32Å; D248-A250 PolarHBondContact OD1-N 3.37Å; D248-T251 PolarHBondContact OD1-N 3.18Å; D248-T251 VanDerWaalsContact OD1-N 3.09Å; D248-T251 WeakPolarHBondContact OD2-CB 3.42Å; D248-T251 PolarHBondContact OD2-OG1 3.4Å; D248-G335 CarbonylContact O-C 3.49Å; D248-G335 VanDerWaalsContact O-CA 3.3Å; D248-G335 WeakPolarHBondContact O-CA 3.44Å; D248-V336 HydrophobicContact CB-CG2 3.67Å; D248-V336 PolarHBondContact N-O 3.42Å; D248-V336 PolarHBondContact O-N 2.93Å
249	P	89.2	Confident	90	Very high	59 Å²	59	32.1 Å²	32.1	38%	0.383	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-19.9	-180	-18.9	32.1	0	0	0	114.8	K334 F337	P249-K334 VanDerWaalsContact O-CE 3.3Å; P249-K334 WeakPolarHBondContact O-CE 2.9Å; P249-F337 HydrophobicContact CB-CZ 4Å; P249-F337 HydrophobicContact CG-CE1 4.26Å; P249-F337 HydrophobicContact CG-CZ 3.97Å
250	A	83.9	Confident	90	Very high	72 Å²	72	32.3 Å²	32.3	60%	0.595	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	-30.7	-174.7	0	0	0	0	0	112.2	D248	D248-A250 VanDerWaalsContact C-N 3.3Å; D248-A250 PolarHBondContact O-N 3.32Å; D248-A250 PolarHBondContact OD1-N 3.37Å
251	T	82.9	Confident	89.9	Confident	51 Å²	51	34.6 Å²	34.6	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.2	-177.7	-82.3	0	0	0	0	112.4	D248 K253 G335 V336	D248-T251 PolarHBondContact OD1-N 3.18Å; D248-T251 VanDerWaalsContact OD1-N 3.09Å; D248-T251 WeakPolarHBondContact OD2-CB 3.42Å; D248-T251 PolarHBondContact OD2-OG1 3.4Å; T251-K253 HydrophobicContact CG2-CB 4.4Å; T251-G335 WeakPolarHBondContact O-CA 3.15Å; T251-G335 PolarHBondContact O-N 2.93Å; T251-V336 HydrophobicContact CG2-CG1 4Å; T251-V336 HydrophobicContact CG2-CG2 4.15Å
252	R	83	Confident	89.4	Confident	166 Å²	166	36.9 Å²	36.9	63%	0.626	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.1	167.6	-76.3	171.5	165.6	-87.9	-3	109	E332 D333 K334	R252-E332 HydrophobicContact CB-CG 4.48Å; R252-E332 WeakPolarHBondContact CD-OE1 3.35Å; R252-E332 IonicContact CZ-OE1 3.29Å; R252-E332 IonicContact NH1-OE1 3.6Å; R252-E332 PolarHBondContact NH1-OE1 2.94Å; R252-D333 WeakPolarHBondContact CA-O 3.19Å; R252-K334 HydrophobicContact CG-CG 4.45Å
253	K	77.3	Confident	89.3	Confident	13 Å²	13	39.8 Å²	39.8	6%	0.057	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.5	-173.2	-164.5	164.7	-177.9	-177.8	0	111	V191 S195 T251 F255 T269 E332 D333 V336	V191-K253 HydrophobicContact CB-CG 4.27Å; V191-K253 HydrophobicContact CG1-CD 4.24Å; V191-K253 HydrophobicContact CG1-CG 3.63Å; V191-K253 HydrophobicContact CG2-CG 4.07Å; V191-K253 WeakPolarHBondContact O-CE 3.4Å; V191-K253 PolarHBondContact O-NZ 2.67Å; V191-K253 VanDerWaalsContact O-NZ 3.08Å; S195-K253 PolarHBondContact O-NZ 2.98Å; S195-K253 PolarHBondContact OG-NZ 3.23Å; T251-K253 HydrophobicContact CG2-CB 4.4Å; K253-F255 HydrophobicContact CB-CE2 3.83Å; K253-F255 HydrophobicContact CB-CZ 4.18Å; K253-F255 WeakPolarHBondContact O-CD2 3.46Å; K253-F255 VanDerWaalsContact O-CE2 3.29Å; K253-F255 WeakPolarHBondContact O-CE2 3.46Å; K253-T269 HydrophobicContact CD-CG2 3.57Å; K253-T269 VanDerWaalsContact CE-CG2 3.45Å; K253-T269 HydrophobicContact CG-CG2 4.12Å; K253-E332 WeakPolarHBondContact O-CA 3.49Å; K253-D333 PolarHBondContact N-O 3.34Å; K253-D333 PolarHBondContact O-N 3.47Å; K253-V336 HydrophobicContact CB-CG1 3.73Å; K253-V336 HydrophobicContact CD-CG1 3.41Å; K253-V336 VanDerWaalsContact CD-CG1 3.41Å; K253-V336 HydrophobicContact CG-CG1 4.18Å
254	E	80	Confident	89.3	Confident	45 Å²	45	39.8 Å²	39.8	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134	170.5	-61.7	-178.8	145.1	0	0	110.4	V191 V330 Q331	V191-E254 HydrophobicContact CG1-CB 4.13Å; V191-E254 WeakPolarHBondContact CG1-O 3.27Å; V191-E254 HydrophobicContact CG2-CB 4.13Å; V191-E254 HydrophobicContact CG2-CG 4.19Å; E254-V330 HydrophobicContact CB-CG1 3.98Å; E254-V330 HydrophobicContact CG-CG1 4.43Å; E254-Q331 CarbonylContact C-O 3.55Å; E254-Q331 WeakPolarHBondContact CA-O 3.43Å
255	F	89.8	Confident	89.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.9	177.9	-67.1	-91.3	0	0	0	110	F199 P200 K253 L268 T269 V330 Q331 D333 G335 V336	F199-F255 VanDerWaalsContact C-CE1 3.45Å; P200-F255 HydrophobicContact CB-CD1 4.38Å; P200-F255 HydrophobicContact CB-CD2 4.26Å; P200-F255 HydrophobicContact CB-CE1 4.03Å; P200-F255 HydrophobicContact CB-CE2 3.9Å; P200-F255 HydrophobicContact CB-CG 4.5Å; P200-F255 HydrophobicContact CB-CZ 3.77Å; P200-F255 HydrophobicContact CG-CD1 4.33Å; P200-F255 HydrophobicContact CG-CE1 4.31Å; P200-F255 VanDerWaalsContact N-CE1 3.29Å; K253-F255 HydrophobicContact CB-CE2 3.83Å; K253-F255 HydrophobicContact CB-CZ 4.18Å; K253-F255 WeakPolarHBondContact O-CD2 3.46Å; K253-F255 VanDerWaalsContact O-CE2 3.29Å; K253-F255 WeakPolarHBondContact O-CE2 3.46Å; F255-L268 CarbonylContact C-O 3.53Å; F255-L268 WeakPolarHBondContact CA-O 3.47Å; F255-T269 HydrophobicContact CD1-CG2 3.91Å; F255-T269 HydrophobicContact CE1-CG2 3.6Å; F255-T269 HydrophobicContact CZ-CG2 4.21Å; F255-V330 WeakPolarHBondContact O-CA 3.37Å; F255-Q331 PolarHBondContact N-O 3.3Å; F255-Q331 PolarHBondContact O-N 3.42Å; F255-D333 HydrophobicContact CD2-CB 3.5Å; F255-D333 VanDerWaalsContact CD2-CB 3.5Å; F255-D333 HydrophobicContact CE2-CB 3.7Å; F255-D333 HydrophobicContact CG-CB 4.47Å; F255-G335 WeakPolarHBondContact CZ-O 3.37Å; F255-V336 HydrophobicContact CZ-CG1 4.12Å
256	Y	92.1	Very high	89.7	Confident	30 Å²	30	40 Å²	40	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.3	167.9	-75.1	-108	0	0	0	107.6	S267 L268 A270 V328 S329 V330	Y256-S267 WeakPolarHBondContact O-CA 3.45Å; Y256-L268 PolarHBondContact N-O 3.05Å; Y256-L268 PolarHBondContact O-N 3.21Å; Y256-A270 HydrophobicContact CD2-CB 3.87Å; Y256-A270 HydrophobicContact CE2-CB 3.47Å; Y256-A270 VanDerWaalsContact CE2-CB 3.47Å; Y256-V328 HydrophobicContact CD1-CG1 4.2Å; Y256-S329 CarbonylContact C-O 3.55Å; Y256-S329 WeakPolarHBondContact CA-O 3.41Å; Y256-V330 HydrophobicContact CD1-CG2 4.08Å; Y256-V330 HydrophobicContact CE1-CG2 3.9Å; Y256-V330 HydrophobicContact CE2-CG2 4.34Å; Y256-V330 HydrophobicContact CG-CG2 4.4Å
257	T	95.9	Very high	90.1	Very high	8 Å²	8	40 Å²	40	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.7	177.2	-53.7	0	0	0	0	109	S265 L266 S267 S329	T257-S265 WeakPolarHBondContact CG2-OG 3.05Å; T257-L266 CarbonylContact C-O 3.53Å; T257-L266 WeakPolarHBondContact CA-O 3.18Å; T257-S267 PolarHBondContact OG1-OG 3.24Å; T257-S329 PolarHBondContact N-O 3.44Å; T257-S329 PolarHBondContact O-N 3.06Å
258	I	96.9	Very high	90.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.2	178	-49.1	-56	0	0	0	107.9	S265 L266 L268 L274 A300 I325 V328 M351	I258-S265 VanDerWaalsContact O-CA 3.31Å; I258-S265 WeakPolarHBondContact O-CA 3.32Å; I258-L266 PolarHBondContact N-O 2.81Å; I258-L266 PolarHBondContact O-N 3.42Å; I258-L268 HydrophobicContact CG1-CD2 3.94Å; I258-L274 HydrophobicContact CG1-CD1 3.91Å; I258-A300 HydrophobicContact CD1-CB 3.76Å; I258-I325 HydrophobicContact CG2-CB 4.45Å; I258-I325 HydrophobicContact CG2-CD1 3.85Å; I258-I325 HydrophobicContact CG2-CG1 3.84Å; I258-I325 HydrophobicContact CG2-CG2 3.86Å; I258-V328 HydrophobicContact CD1-CB 4.32Å; I258-V328 HydrophobicContact CD1-CG1 3.81Å; I258-V328 HydrophobicContact CD1-CG2 3.82Å; I258-M351 HydrophobicContact CG2-CE 4.38Å
259	G	96.5	Very high	90.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.6	174.6	0	0	0	0	0	111	S326 R327	G259-S326 PolarHBondContact O-N 2.76Å; G259-S326 PolarHBondContact O-OG 3.01Å; G259-R327 PolarHBondContact N-O 3.34Å; G259-R327 PolarHBondContact O-N 2.87Å
260	T	95.7	Very high	90.3	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	166.4	178.5	78.7	0	0	0	0	112.6	G262 G263 V264 V306 S323 R324 S326 M351	T260-G262 VanDerWaalsContact C-N 3.31Å; T260-G262 PolarHBondContact OG1-N 3.45Å; T260-G263 PolarHBondContact O-N 2.75Å; T260-V264 PolarHBondContact N-O 3.08Å; T260-V264 PolarHBondContact OG1-N 3.45Å; T260-V264 PolarHBondContact OG1-O 3.24Å; T260-V306 HydrophobicContact CG2-CG2 3.51Å; T260-S323 WeakPolarHBondContact CB-OG 3.36Å; T260-S323 PolarHBondContact OG1-OG 3.29Å; T260-R324 CarbonylContact C-O 3.43Å; T260-R324 WeakPolarHBondContact CA-O 3.36Å; T260-R324 WeakPolarHBondContact CB-O 3.48Å; T260-S326 PolarHBondContact O-OG 3.45Å; T260-M351 HydrophobicContact CG2-CE 3.51Å
261	E	92.9	Very high	90.4	Very high	110 Å²	110	28.8 Å²	28.8	51%	0.514	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-35.1	173.8	-69.9	-176.8	171.7	0	0	111.7	G263 R324	E261-G263 PolarHBondContact O-N 3.41Å; E261-R324 HydrophobicContact CG-CB 4.19Å; E261-R324 PolarHBondContact N-O 2.91Å; E261-R324 WeakPolarHBondContact OE1-CD 3.41Å
262	G	85.8	Confident	90.9	Very high	49 Å²	49	26.5 Å²	26.5	51%	0.505	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	9.2	173.6	0	0	0	0	0	115.5	T260 V264 E283 S323	T260-G262 VanDerWaalsContact C-N 3.31Å; T260-G262 PolarHBondContact OG1-N 3.45Å; G262-V264 VanDerWaalsContact C-N 3.26Å; G262-V264 PolarHBondContact O-N 3.32Å; G262-E283 PolarHBondContact N-OE1 3.43Å; G262-S323 PolarHBondContact N-OG 2.81Å
263	G	89.6	Confident	91.4	Very high	68 Å²	68	18.6 Å²	18.6	70%	0.701	12%	0.124	S	C	*	.	S	Bend	trans	79.1	0	175.7	0	0	0	0	0	115.3	T260 E261	T260-G263 PolarHBondContact O-N 2.75Å; E261-G263 PolarHBondContact O-N 3.41Å
264	V	92.9	Very high	92.3	Very high	15 Å²	15	18 Å²	18	9%	0.091	12%	0.121	C	C	.	.			trans	-78.6	141.4	176.5	173.1	0	0	0	0	110.1	T260 G262 T308 V310 N349 M351	T260-V264 PolarHBondContact N-O 3.08Å; T260-V264 PolarHBondContact OG1-N 3.45Å; T260-V264 PolarHBondContact OG1-O 3.24Å; G262-V264 VanDerWaalsContact C-N 3.26Å; G262-V264 PolarHBondContact O-N 3.32Å; V264-T308 HydrophobicContact CB-CG2 4.06Å; V264-T308 HydrophobicContact CG1-CG2 4.13Å; V264-T308 HydrophobicContact CG2-CG2 4.15Å; V264-V310 HydrophobicContact CG2-CB 4.31Å; V264-N349 WeakPolarHBondContact CG1-O 3.46Å; V264-M351 HydrophobicContact CG1-CB 4.06Å; V264-M351 HydrophobicContact CG1-CE 4.15Å
265	S	95.4	Very high	93	Very high	34 Å²	34	15.8 Å²	15.8	24%	0.238	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127	179.7	-171.1	0	0	0	0	111.6	T257 I258 N349	T257-S265 WeakPolarHBondContact CG2-OG 3.05Å; I258-S265 VanDerWaalsContact O-CA 3.31Å; I258-S265 WeakPolarHBondContact O-CA 3.32Å; S265-N349 WeakPolarHBondContact O-CB 3.46Å; S265-N349 PolarHBondContact O-ND2 2.94Å; S265-N349 VanDerWaalsContact O-ND2 3.13Å
266	L	96.9	Very high	93.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	179	178.4	61.1	0	0	0	110.9	F199 T257 I258 L268 L274 V348 N349 M351 A353	F199-L266 HydrophobicContact CD1-CD1 4.05Å; F199-L266 HydrophobicContact CE1-CD1 4.08Å; F199-L266 HydrophobicContact CE1-CD2 4.29Å; T257-L266 CarbonylContact C-O 3.53Å; T257-L266 WeakPolarHBondContact CA-O 3.18Å; I258-L266 PolarHBondContact N-O 2.81Å; I258-L266 PolarHBondContact O-N 3.42Å; L266-L268 HydrophobicContact CB-CD2 4.39Å; L266-L268 HydrophobicContact CD2-CD2 4Å; L266-L268 HydrophobicContact CG-CD2 3.75Å; L266-L274 HydrophobicContact CD2-CD2 4.04Å; L266-V348 HydrophobicContact CD1-CB 3.55Å; L266-V348 HydrophobicContact CD1-CG1 3.42Å; L266-V348 VanDerWaalsContact CD1-CG1 3.42Å; L266-N349 HydrophobicContact CD1-CB 4.34Å; L266-M351 HydrophobicContact CB-CB 4.12Å; L266-M351 HydrophobicContact CB-CE 4.01Å; L266-M351 HydrophobicContact CB-SD 3.84Å; L266-M351 HydrophobicContact CD2-CB 4.02Å; L266-M351 HydrophobicContact CD2-CG 4.1Å; L266-M351 HydrophobicContact CD2-SD 3.84Å; L266-M351 HydrophobicContact CG-SD 4.48Å; L266-A353 HydrophobicContact CD2-CB 4.16Å
267	S	96.3	Very high	93.3	Very high	9 Å²	9	15 Å²	15	6%	0.063	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.9	173.6	-68.9	0	0	0	0	110.2	P200 Y256 T257	P200-S267 WeakPolarHBondContact CD-O 3.22Å; Y256-S267 WeakPolarHBondContact O-CA 3.45Å; T257-S267 PolarHBondContact OG1-OG 3.24Å
268	L	94.6	Very high	92.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.1	-177.1	58.5	160.2	0	0	0	110.6	C198 F199 F255 Y256 I258 L266 H272 L274 A297	C198-L268 WeakPolarHBondContact O-CA 3.34Å; F199-L268 HydrophobicContact CD1-CB 4.21Å; F199-L268 HydrophobicContact CE1-CB 4.23Å; F255-L268 CarbonylContact C-O 3.53Å; F255-L268 WeakPolarHBondContact CA-O 3.47Å; Y256-L268 PolarHBondContact N-O 3.05Å; Y256-L268 PolarHBondContact O-N 3.21Å; I258-L268 HydrophobicContact CG1-CD2 3.94Å; L266-L268 HydrophobicContact CB-CD2 4.39Å; L266-L268 HydrophobicContact CD2-CD2 4Å; L266-L268 HydrophobicContact CG-CD2 3.75Å; L268-H272 HydrophobicContact CB-CB 4.15Å; L268-H272 HydrophobicContact CD1-CB 3.87Å; L268-H272 HydrophobicContact CG-CB 4.43Å; L268-L274 HydrophobicContact CD1-CD1 3.91Å; L268-L274 HydrophobicContact CD1-CD2 3.43Å; L268-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD1-CG 3.51Å; L268-L274 HydrophobicContact CD2-CD1 4.34Å; L268-L274 HydrophobicContact CD2-CD2 4.12Å; L268-A297 HydrophobicContact CD1-CB 3.5Å; L268-A297 HydrophobicContact CD2-CB 4.4Å; L268-A297 HydrophobicContact CG-CB 3.6Å
269	T	91.2	Very high	92.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	16%	0.157	C	C	.	.			trans	-69.3	156.6	179.9	60.3	0	0	0	0	111.3	G197 C198 K253 F255 A271 H272 A297	G197-T269 WeakPolarHBondContact CA-OG1 3.2Å; C198-T269 HydrophobicContact CB-CG2 3.93Å; C198-T269 PolarHBondContact N-OG1 3.13Å; C198-T269 PolarHBondContact O-N 3.1Å; K253-T269 HydrophobicContact CD-CG2 3.57Å; K253-T269 VanDerWaalsContact CE-CG2 3.45Å; K253-T269 HydrophobicContact CG-CG2 4.12Å; F255-T269 HydrophobicContact CD1-CG2 3.91Å; F255-T269 HydrophobicContact CE1-CG2 3.6Å; F255-T269 HydrophobicContact CZ-CG2 4.21Å; T269-A271 PolarHBondContact O-N 2.91Å; T269-A271 VanDerWaalsContact O-N 3.16Å; T269-H272 WeakPolarHBondContact O-CB 3.36Å; T269-H272 PolarHBondContact O-N 3.2Å; T269-A297 WeakPolarHBondContact O-CB 3.31Å
270	A	86.1	Confident	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-45.6	-170.5	0	0	0	0	0	116.4	Y256 H272 A297 S298 W414	Y256-A270 HydrophobicContact CD2-CB 3.87Å; Y256-A270 HydrophobicContact CE2-CB 3.47Å; Y256-A270 VanDerWaalsContact CE2-CB 3.47Å; A270-H272 VanDerWaalsContact C-N 3.27Å; A270-H272 PolarHBondContact O-N 3.44Å; A270-A297 WeakPolarHBondContact O-CB 3.06Å; A270-A297 PolarHBondContact O-N 3.26Å; A270-S298 PolarHBondContact O-N 3.03Å; A270-S298 VanDerWaalsContact O-N 3.09Å; A270-S298 PolarHBondContact O-OG 3.22Å; A270-W414 HydrophobicContact CB-CE3 3.57Å; A270-W414 HydrophobicContact CB-CH2 4.37Å; A270-W414 HydrophobicContact CB-CZ3 3.22Å
271	A	87.4	Confident	91.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	9.5	-175.7	0	0	0	0	0	113.9	G196 T269 Y296 A357 V358 H412	G196-A271 CarbonylContact O-C 3.32Å; G196-A271 VanDerWaalsContact O-CA 3.3Å; G196-A271 WeakPolarHBondContact O-CA 2.96Å; G196-A271 WeakPolarHBondContact O-CB 3.49Å; T269-A271 PolarHBondContact O-N 2.91Å; T269-A271 VanDerWaalsContact O-N 3.16Å; A271-Y296 HydrophobicContact CB-CD1 4.47Å; A271-Y296 WeakPolarHBondContact O-CD1 3.49Å; A271-A357 WeakPolarHBondContact O-CA 3.4Å; A271-A357 VanDerWaalsContact O-CB 3.29Å; A271-A357 WeakPolarHBondContact O-CB 3.35Å; A271-V358 PolarHBondContact O-N 3.41Å; A271-V358 VanDerWaalsContact O-N 3.15Å; A271-H412 HydrophobicContact CB-CB 3.59Å; A271-H412 VanDerWaalsContact CB-CG 3.4Å
272	H	92.9	Very high	91	Very high	2 Å²	2	30 Å²	30	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.6	176.5	-162.1	133	0	0	0	110.2	G196 G197 C198 F199 L268 T269 A270 A297 S354	G196-H272 PolarHBondContact O-N 3.24Å; G197-H272 WeakPolarHBondContact CA-ND1 3.48Å; C198-H272 PolarHBondContact N-ND1 3.17Å; C198-H272 VanDerWaalsContact N-ND1 3.12Å; C198-H272 PolarHBondContact O-ND1 3.03Å; F199-H272 AromaticContact CD2-CE1 3.8Å; F199-H272 AromaticContact CE1-CE1 3.69Å; F199-H272 AromaticContact CE1-NE2 3.87Å; F199-H272 AromaticContact CE2-CE1 3.23Å; F199-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F199-H272 AromaticContact CE2-NE2 3.63Å; F199-H272 AromaticContact CZ-CE1 3.16Å; F199-H272 WeakPolarHBondContact CZ-CE1 3.48Å; F199-H272 AromaticContact CZ-NE2 3.2Å; F199-H272 WeakPolarHBondContact CZ-NE2 3.46Å; L268-H272 HydrophobicContact CB-CB 4.15Å; L268-H272 HydrophobicContact CD1-CB 3.87Å; L268-H272 HydrophobicContact CG-CB 4.43Å; T269-H272 WeakPolarHBondContact O-CB 3.36Å; T269-H272 PolarHBondContact O-N 3.2Å; A270-H272 VanDerWaalsContact C-N 3.27Å; A270-H272 PolarHBondContact O-N 3.44Å; H272-A297 PolarHBondContact O-N 2.97Å; H272-S354 PolarHBondContact NE2-O 2.72Å
273	L	94.1	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.9	-176.4	-61.3	176	0	0	0	113.6	T294 V295 Y296 S354 Y356 V359 H362	L273-T294 HydrophobicContact CD1-CG2 4.39Å; L273-V295 CarbonylContact C-O 3.58Å; L273-V295 WeakPolarHBondContact CA-O 3.39Å; L273-Y296 HydrophobicContact CD2-CD1 3.61Å; L273-Y296 HydrophobicContact CD2-CE1 3.67Å; L273-Y296 HydrophobicContact CD2-CG 4.38Å; L273-S354 PolarHBondContact O-N 3.01Å; L273-Y356 WeakPolarHBondContact CB-O 3.38Å; L273-Y356 WeakPolarHBondContact CG-O 3.43Å; L273-Y356 PolarHBondContact N-O 3.21Å; L273-V359 WeakPolarHBondContact CD1-O 3.49Å; L273-H362 HydrophobicContact CD1-CB 4.45Å
274	L	94.7	Very high	90.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.5	168.6	-66.1	169.4	0	0	0	110.7	I258 L266 L268 T294 V295 A297 A300 M351 A353	I258-L274 HydrophobicContact CG1-CD1 3.91Å; L266-L274 HydrophobicContact CD2-CD2 4.04Å; L268-L274 HydrophobicContact CD1-CD1 3.91Å; L268-L274 HydrophobicContact CD1-CD2 3.43Å; L268-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD1-CG 3.51Å; L268-L274 HydrophobicContact CD2-CD1 4.34Å; L268-L274 HydrophobicContact CD2-CD2 4.12Å; L274-T294 CarbonylContact O-C 3.54Å; L274-T294 VanDerWaalsContact O-CA 3.28Å; L274-T294 WeakPolarHBondContact O-CA 3.38Å; L274-V295 HydrophobicContact CB-CG2 4.18Å; L274-V295 PolarHBondContact N-O 3.29Å; L274-V295 PolarHBondContact O-N 3.44Å; L274-A297 HydrophobicContact CD1-CB 4.46Å; L274-A300 HydrophobicContact CD1-CB 4.18Å; L274-M351 HydrophobicContact CD2-SD 4.33Å; L274-A353 HydrophobicContact CD2-CB 4.29Å
275	F	95.1	Very high	90.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.8	169	-57.3	-73.4	0	0	0	109.8	S230 D231 M292 R293 T294 L307 T345 V352 H362	S230-F275 WeakPolarHBondContact O-CE1 3.49Å; D231-F275 WeakPolarHBondContact O-CD1 3.45Å; D231-F275 WeakPolarHBondContact O-CG 3.5Å; F275-M292 HydrophobicContact CB-CE 3.98Å; F275-R293 WeakPolarHBondContact CA-O 3.43Å; F275-T294 HydrophobicContact CD1-CG2 3.96Å; F275-T294 HydrophobicContact CE1-CG2 3.81Å; F275-L307 HydrophobicContact CB-CD1 4.41Å; F275-T345 HydrophobicContact CE2-CG2 4.01Å; F275-T345 HydrophobicContact CZ-CG2 3.89Å; F275-V352 HydrophobicContact CD2-CG1 4Å; F275-V352 HydrophobicContact CE2-CG1 4.14Å; F275-H362 HydrophobicContact CE1-CB 4.27Å; F275-H362 AromaticContact CZ-ND1 3.79Å
276	V	94.7	Very high	90.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151	175.6	-63.7	0	0	0	0	111.7	M292 R293 V295 C305 V306	V276-M292 CarbonylContact O-C 3.01Å; V276-M292 WeakPolarHBondContact O-CA 3.04Å; V276-R293 HydrophobicContact CG2-CG 3.89Å; V276-R293 PolarHBondContact N-O 3.14Å; V276-R293 WeakPolarHBondContact O-CG 3.49Å; V276-R293 PolarHBondContact O-N 2.72Å; V276-V295 HydrophobicContact CB-CG2 4.19Å; V276-V295 HydrophobicContact CG1-CG2 3.51Å; V276-V295 HydrophobicContact CG2-CB 4.17Å; V276-V295 HydrophobicContact CG2-CG1 3.5Å; V276-V295 VanDerWaalsContact CG2-CG1 3.5Å; V276-V295 HydrophobicContact CG2-CG2 3.6Å; V276-C305 CarbonylContact C-O 3.58Å; V276-C305 WeakPolarHBondContact CA-O 3.33Å; V276-V306 HydrophobicContact CG1-CG1 4.03Å
277	S	93.1	Very high	89.6	Confident	14 Å²	14	35 Å²	35	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	142.5	175.4	-171.4	0	0	0	0	111.9	G279 C305	S277-G279 PolarHBondContact O-N 2.81Å; S277-G279 PolarHBondContact OG-N 3.01Å; S277-G279 PolarHBondContact OG-O 2.79Å; S277-C305 PolarHBondContact N-O 2.79Å
278	K	88.1	Confident	89	Confident	131 Å²	131	39.1 Å²	39.1	57%	0.57	24%	0.235	S	C	*	.	S	Bend	trans	-70.3	-15.6	174.5	-75.3	174	178.7	160	0	113	G290 S291 M292 R293	K278-G290 PolarHBondContact NZ-O 3.37Å; K278-S291 WeakPolarHBondContact CB-O 3.28Å; K278-S291 WeakPolarHBondContact CG-O 3.46Å; K278-S291 PolarHBondContact N-O 3.13Å; K278-M292 WeakPolarHBondContact CE-O 3.44Å; K278-M292 PolarHBondContact NZ-O 3.17Å; K278-R293 HydrophobicContact CG-CB 3.97Å; K278-R293 HydrophobicContact CG-CG 4.01Å
279	G	83.7	Confident	88.3	Confident	45 Å²	45	44.9 Å²	44.9	46%	0.464	27%	0.273	S	S	.	.	S	Bend	trans	-146.2	-160.8	-177	0	0	0	0	0	112.9	S277	S277-G279 PolarHBondContact O-N 2.81Å; S277-G279 PolarHBondContact OG-N 3.01Å; S277-G279 PolarHBondContact OG-O 2.79Å
280	N	84.6	Confident	87.8	Confident	169 Å²	169	46.8 Å²	46.8	90%	0.904	29%	0.293	S	S	*	.			trans	-67.5	143.8	173.3	-72	-9.9	0	0	0	110
281	C	85.6	Confident	87.9	Confident	12 Å²	12	47.8 Å²	47.8	8%	0.081	30%	0.3	C	S	.	.			trans	-136.5	152.4	-174.5	44.4	0	0	0	0	108.2	C305 L322 R324	C281-C305 HydrophobicContact CB-CB 3.59Å; C281-C305 WeakPolarHBondContact CB-SG 3.26Å; C281-C305 WeakPolarHBondContact SG-CB 3.2Å; C281-C305 CovalentContact SG-SG 1.99Å; C281-C305 PolarHBondContact SG-SG 3.34Å; C281-L322 HydrophobicContact CB-CD1 3.88Å; C281-R324 PolarHBondContact O-NH2 3.2Å
282	S	87.6	Confident	88.1	Confident	80 Å²	80	47.9 Å²	47.9	56%	0.559	30%	0.3	S	S	*	.			trans	-106.4	143.6	173.9	-60.2	0	0	0	0	109	G284 A285	S282-G284 PolarHBondContact O-N 2.94Å; S282-A285 VanDerWaalsContact O-CB 3.31Å; S282-A285 WeakPolarHBondContact O-CB 3.45Å; S282-A285 PolarHBondContact O-N 3.27Å
283	E	89.3	Confident	88	Confident	79 Å²	79	52.7 Å²	52.7	37%	0.369	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.9	175.4	-167.9	64.6	-158.6	0	0	110.2	G262 A285 S323 R324	G262-E283 PolarHBondContact N-OE1 3.43Å; E283-A285 PolarHBondContact O-N 2.85Å; E283-S323 WeakPolarHBondContact OE1-CA 3.5Å; E283-S323 VanDerWaalsContact OE1-CB 3.3Å; E283-S323 WeakPolarHBondContact OE1-CB 3.39Å; E283-S323 PolarHBondContact OE1-OG 3.12Å; E283-S323 VanDerWaalsContact OE2-CA 3.28Å; E283-S323 WeakPolarHBondContact OE2-CA 3.4Å; E283-R324 PolarHBondContact OE2-N 3.5Å
284	G	84.8	Confident	88	Confident	42 Å²	42	54.2 Å²	54.2	43%	0.433	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-5.2	179.8	0	0	0	0	0	115.5	S282 H321 L322	S282-G284 PolarHBondContact O-N 2.94Å; G284-H321 PolarHBondContact O-ND1 3.43Å; G284-H321 VanDerWaalsContact O-ND1 3.1Å; G284-L322 PolarHBondContact N-O 3.07Å
285	A	87.5	Confident	87.9	Confident	36 Å²	36	54.8 Å²	54.8	30%	0.298	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.3	143.2	-179.7	0	0	0	0	0	111.7	S282 E283 L322	S282-A285 VanDerWaalsContact O-CB 3.31Å; S282-A285 WeakPolarHBondContact O-CB 3.45Å; S282-A285 PolarHBondContact O-N 3.27Å; E283-A285 PolarHBondContact O-N 2.85Å; A285-L322 HydrophobicContact CB-CD1 4.47Å; A285-L322 WeakPolarHBondContact O-CB 3.42Å; A285-L322 WeakPolarHBondContact O-CG 3.35Å; A285-L322 PolarHBondContact O-N 3.01Å
286	E	86.4	Confident	87.7	Confident	103 Å²	103	55.5 Å²	55.5	48%	0.481	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.1	139.2	169.9	-68.2	178.1	-171.7	0	0	109.8	R316	E286-R316 IonicContact OE1-NE 3.97Å
287	P	84.6	Confident	87.5	Confident	12 Å²	12	55.5 Å²	55.5	8%	0.078	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-67.5	138.6	175.9	30.6	-36.8	0	0	0	110.5	M292 L307 V319 G320 L322	P287-M292 HydrophobicContact CB-CG 4.43Å; P287-M292 HydrophobicContact CB-SD 4.42Å; P287-L307 HydrophobicContact CB-CD2 3.91Å; P287-L307 HydrophobicContact CG-CD2 3.61Å; P287-V319 HydrophobicContact CG-CG1 4.14Å; P287-G320 WeakPolarHBondContact CD-O 3.26Å; P287-L322 HydrophobicContact CB-CD2 4.36Å
288	T	82.8	Confident	87.2	Confident	95 Å²	95	56.2 Å²	56.2	58%	0.583	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-81.1	140.3	169	43	0	0	0	0	109.6	G290 S291	T288-G290 PolarHBondContact O-N 3.27Å; T288-S291 PolarHBondContact N-OG 3.26Å; T288-S291 WeakPolarHBondContact O-CB 3.45Å; T288-S291 PolarHBondContact O-N 3.1Å; T288-S291 PolarHBondContact O-OG 3.47Å; T288-S291 WeakPolarHBondContact OG1-CB 3.44Å; T288-S291 PolarHBondContact OG1-OG 2.85Å
289	P	79.7	Confident	87.1	Confident	121 Å²	121	53.5 Å²	53.5	79%	0.786	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.8	179.2	-28.2	35	0	0	0	112.1	S291	P289-S291 PolarHBondContact O-N 2.95Å
290	G	82	Confident	87.3	Confident	41 Å²	41	51.7 Å²	51.7	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	3	-179.5	0	0	0	0	0	115	D231 K278 T288 M292	D231-G290 VanDerWaalsContact OD2-CA 3.26Å; D231-G290 WeakPolarHBondContact OD2-CA 3.43Å; D231-G290 PolarHBondContact OD2-N 3.36Å; K278-G290 PolarHBondContact NZ-O 3.37Å; T288-G290 PolarHBondContact O-N 3.27Å; G290-M292 VanDerWaalsContact C-N 3.26Å
291	S	86.9	Confident	87.6	Confident	21 Å²	21	51.6 Å²	51.6	15%	0.147	30%	0.298	C	S	.	.			trans	-81.2	-4.8	175.3	69.5	0	0	0	0	114	K278 T288 P289	K278-S291 WeakPolarHBondContact CB-O 3.28Å; K278-S291 WeakPolarHBondContact CG-O 3.46Å; K278-S291 PolarHBondContact N-O 3.13Å; T288-S291 PolarHBondContact N-OG 3.26Å; T288-S291 WeakPolarHBondContact O-CB 3.45Å; T288-S291 PolarHBondContact O-N 3.1Å; T288-S291 PolarHBondContact O-OG 3.47Å; T288-S291 WeakPolarHBondContact OG1-CB 3.44Å; T288-S291 PolarHBondContact OG1-OG 2.85Å; P289-S291 PolarHBondContact O-N 2.95Å
292	M	91.3	Very high	87.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	154.8	-179.2	-57.8	-58.3	-68.9	0	0	111.4	D231 F275 V276 K278 P287 G290 L307 L322	D231-M292 HydrophobicContact CB-CB 4Å; D231-M292 WeakPolarHBondContact O-CB 3.42Å; F275-M292 HydrophobicContact CB-CE 3.98Å; V276-M292 CarbonylContact O-C 3.01Å; V276-M292 WeakPolarHBondContact O-CA 3.04Å; K278-M292 WeakPolarHBondContact CE-O 3.44Å; K278-M292 PolarHBondContact NZ-O 3.17Å; P287-M292 HydrophobicContact CB-CG 4.43Å; P287-M292 HydrophobicContact CB-SD 4.42Å; G290-M292 VanDerWaalsContact C-N 3.26Å; M292-L307 HydrophobicContact CE-CD1 3.7Å; M292-L307 HydrophobicContact CE-CG 3.71Å; M292-L307 HydrophobicContact CG-CD1 4.19Å; M292-L307 HydrophobicContact SD-CD1 4.39Å; M292-L307 HydrophobicContact SD-CG 4.48Å; M292-L322 HydrophobicContact CE-CD2 4.18Å; M292-L322 HydrophobicContact SD-CD2 3.86Å
293	R	92.4	Very high	88	Confident	103 Å²	103	52.9 Å²	52.9	39%	0.389	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160	172.9	64.9	177.5	-177.3	98.8	4.3	110.2	F275 V276 K278	F275-R293 WeakPolarHBondContact CA-O 3.43Å; V276-R293 HydrophobicContact CG2-CG 3.89Å; V276-R293 PolarHBondContact N-O 3.14Å; V276-R293 WeakPolarHBondContact O-CG 3.49Å; V276-R293 PolarHBondContact O-N 2.72Å; K278-R293 HydrophobicContact CG-CB 3.97Å; K278-R293 HydrophobicContact CG-CG 4.01Å
294	T	93.2	Very high	88.2	Confident	32 Å²	32	51 Å²	51	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.6	174.6	47.4	0	0	0	0	111.6	L273 L274 F275 D360 H362	L273-T294 HydrophobicContact CD1-CG2 4.39Å; L274-T294 CarbonylContact O-C 3.54Å; L274-T294 VanDerWaalsContact O-CA 3.28Å; L274-T294 WeakPolarHBondContact O-CA 3.38Å; F275-T294 HydrophobicContact CD1-CG2 3.96Å; F275-T294 HydrophobicContact CE1-CG2 3.81Å; T294-D360 PolarHBondContact OG1-O 3.46Å; T294-H362 HydrophobicContact CG2-CB 3.55Å
295	V	91.9	Very high	88.7	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.1	167.1	-68.9	0	0	0	0	109.5	L273 L274 V276	L273-V295 CarbonylContact C-O 3.58Å; L273-V295 WeakPolarHBondContact CA-O 3.39Å; L274-V295 HydrophobicContact CB-CG2 4.18Å; L274-V295 PolarHBondContact N-O 3.29Å; L274-V295 PolarHBondContact O-N 3.44Å; V276-V295 HydrophobicContact CB-CG2 4.19Å; V276-V295 HydrophobicContact CG1-CG2 3.51Å; V276-V295 HydrophobicContact CG2-CB 4.17Å; V276-V295 HydrophobicContact CG2-CG1 3.5Å; V276-V295 VanDerWaalsContact CG2-CG1 3.5Å; V276-V295 HydrophobicContact CG2-CG2 3.6Å
296	Y	90.9	Very high	89	Confident	15 Å²	15	47.4 Å²	47.4	6%	0.059	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	151.8	168.2	-60	-68.2	0	0	0	111.1	A271 L273 S298 D299 A300 V358 D360 H410 H412	A271-Y296 HydrophobicContact CB-CD1 4.47Å; A271-Y296 WeakPolarHBondContact O-CD1 3.49Å; L273-Y296 HydrophobicContact CD2-CD1 3.61Å; L273-Y296 HydrophobicContact CD2-CE1 3.67Å; L273-Y296 HydrophobicContact CD2-CG 4.38Å; Y296-S298 PolarHBondContact O-N 3.11Å; Y296-D299 WeakPolarHBondContact CD2-OD2 3.45Å; Y296-D299 PolarHBondContact O-N 2.8Å; Y296-A300 PolarHBondContact O-N 3.05Å; Y296-V358 PolarHBondContact OH-O 3.08Å; Y296-D360 HydrophobicContact CE2-CB 4.09Å; Y296-D360 VanDerWaalsContact OH-CA 3.29Å; Y296-D360 WeakPolarHBondContact OH-CA 3.48Å; Y296-D360 WeakPolarHBondContact OH-CB 3.45Å; Y296-D360 PolarHBondContact OH-N 3.49Å; Y296-H410 PolarHBondContact OH-O 3.42Å; Y296-H412 HydrophobicContact CD1-CB 4.26Å; Y296-H412 AromaticContact CD1-CD2 3.71Å; Y296-H412 AromaticContact CD2-CD2 3.53Å; Y296-H412 HydrophobicContact CE1-CB 3.77Å; Y296-H412 HydrophobicContact CE2-CB 4.19Å; Y296-H412 AromaticContact CE2-CD2 3.89Å; Y296-H412 AromaticContact CG-CD2 3.4Å; Y296-H412 PolarHBondContact OH-N 3.23Å
297	A	91.2	Very high	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.5	-37.2	176	0	0	0	0	0	112.6	L268 T269 A270 H272 L274 D299 A300	L268-A297 HydrophobicContact CD1-CB 3.5Å; L268-A297 HydrophobicContact CD2-CB 4.4Å; L268-A297 HydrophobicContact CG-CB 3.6Å; T269-A297 WeakPolarHBondContact O-CB 3.31Å; A270-A297 WeakPolarHBondContact O-CB 3.06Å; A270-A297 PolarHBondContact O-N 3.26Å; H272-A297 PolarHBondContact O-N 2.97Å; L274-A297 HydrophobicContact CD1-CB 4.46Å; A297-D299 PolarHBondContact O-N 3.32Å; A297-A300 WeakPolarHBondContact O-CB 3.27Å; A297-A300 PolarHBondContact O-N 2.88Å
298	S	86.4	Confident	89.7	Confident	29 Å²	29	42.3 Å²	42.3	20%	0.203	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.8	-26.6	174.7	50.4	0	0	0	0	113.8	A270 Y296 H412	A270-S298 PolarHBondContact O-N 3.03Å; A270-S298 VanDerWaalsContact O-N 3.09Å; A270-S298 PolarHBondContact O-OG 3.22Å; Y296-S298 PolarHBondContact O-N 3.11Å; S298-H412 PolarHBondContact OG-NE2 3.23Å
299	D	86.1	Confident	89.9	Confident	75 Å²	75	39.2 Å²	39.2	40%	0.401	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-95.1	-4.5	-179.2	-71.7	-35.5	0	0	0	113.2	Y296 A297	Y296-D299 WeakPolarHBondContact CD2-OD2 3.45Å; Y296-D299 PolarHBondContact O-N 2.8Å; A297-D299 PolarHBondContact O-N 3.32Å
300	A	89.1	Confident	89.5	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	21%	0.21	C	C	.	.			trans	-65.9	136.5	176	0	0	0	0	0	110.4	I258 L274 Y296 A297 I325	I258-A300 HydrophobicContact CD1-CB 3.76Å; L274-A300 HydrophobicContact CD1-CB 4.18Å; Y296-A300 PolarHBondContact O-N 3.05Å; A297-A300 WeakPolarHBondContact O-CB 3.27Å; A297-A300 PolarHBondContact O-N 2.88Å; A300-I325 HydrophobicContact CB-CD1 4.22Å
301	R	90.2	Very high	88.3	Confident	167 Å²	167	37.6 Å²	37.6	63%	0.63	21%	0.206	S	C	*	.			trans	-132.3	144.6	-176.2	-62.6	-179.7	-171.4	-155.7	-0.7	111.4	G303 Q304	R301-G303 PolarHBondContact O-N 2.89Å; R301-Q304 WeakPolarHBondContact O-CB 3.39Å; R301-Q304 PolarHBondContact O-N 2.87Å
302	P	92.5	Very high	86.3	Confident	81 Å²	81	40.2 Å²	40.2	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	141	168	-26.3	35.3	0	0	0	111.7	I325 V328	P302-I325 CarbonylContact C-O 3.45Å; P302-I325 VanDerWaalsContact CA-O 3.28Å; P302-I325 WeakPolarHBondContact CA-O 3.12Å; P302-V328 HydrophobicContact CG-CG2 4.44Å
303	G	89.4	Confident	84	Confident	38 Å²	38	49.3 Å²	49.3	39%	0.392	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-23.5	-176.8	0	0	0	0	0	115.3	R301 R324 I325	R301-G303 PolarHBondContact O-N 2.89Å; G303-R324 PolarHBondContact O-NH1 3.39Å; G303-I325 PolarHBondContact N-O 3.15Å
304	Q	93.1	Very high	81.6	Confident	40 Å²	40	52.5 Å²	52.5	19%	0.187	30%	0.299	C	S	.	.			trans	-69.4	158.3	168.6	-64.7	175.1	-29.3	0	0	110.3	R301 R324 I325	R301-Q304 WeakPolarHBondContact O-CB 3.39Å; R301-Q304 PolarHBondContact O-N 2.87Å; Q304-R324 CarbonylContact O-C 3.58Å; Q304-R324 WeakPolarHBondContact O-CA 3.49Å; Q304-I325 HydrophobicContact CB-CD1 4.01Å; Q304-I325 WeakPolarHBondContact O-CG1 3.29Å; Q304-I325 PolarHBondContact O-N 3.41Å
305	C	94.3	Very high	79.2	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	170.4	-58.4	0	0	0	0	112.4	V276 S277 C281 L322 S323	V276-C305 CarbonylContact C-O 3.58Å; V276-C305 WeakPolarHBondContact CA-O 3.33Å; S277-C305 PolarHBondContact N-O 2.79Å; C281-C305 HydrophobicContact CB-CB 3.59Å; C281-C305 WeakPolarHBondContact CB-SG 3.26Å; C281-C305 WeakPolarHBondContact SG-CB 3.2Å; C281-C305 CovalentContact SG-SG 1.99Å; C281-C305 PolarHBondContact SG-SG 3.34Å; C305-L322 HydrophobicContact CB-CB 4.12Å; C305-L322 HydrophobicContact CB-CD2 4.32Å; C305-S323 CarbonylContact C-O 3.59Å; C305-S323 VanDerWaalsContact CA-O 3.25Å; C305-S323 WeakPolarHBondContact CA-O 3.37Å; C305-S323 WeakPolarHBondContact CB-O 3.43Å
306	V	94.9	Very high	77	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	168.6	174	-67.1	0	0	0	0	109.8	T260 V276 L322 S323 I325 M351	T260-V306 HydrophobicContact CG2-CG2 3.51Å; V276-V306 HydrophobicContact CG1-CG1 4.03Å; V306-L322 WeakPolarHBondContact O-CA 3.19Å; V306-S323 WeakPolarHBondContact CG2-O 3.4Å; V306-S323 PolarHBondContact N-O 2.91Å; V306-S323 PolarHBondContact O-N 3.24Å; V306-I325 HydrophobicContact CG1-CD1 3.81Å; V306-I325 HydrophobicContact CG1-CG1 3.91Å; V306-I325 HydrophobicContact CG2-CG1 4.4Å; V306-M351 HydrophobicContact CB-CE 4.45Å; V306-M351 HydrophobicContact CB-CG 4.36Å; V306-M351 HydrophobicContact CB-SD 3.99Å; V306-M351 HydrophobicContact CG1-SD 4.21Å; V306-M351 HydrophobicContact CG2-CE 3.62Å; V306-M351 HydrophobicContact CG2-CG 4.29Å; V306-M351 HydrophobicContact CG2-SD 3.82Å
307	L	92.6	Very high	75.2	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.5	177.2	-76.4	164.8	0	0	0	111.5	G232 F275 P287 M292 H321 L322 M351 V352	G232-L307 VanDerWaalsContact C-CD1 3.41Å; G232-L307 WeakPolarHBondContact O-CD1 3.46Å; F275-L307 HydrophobicContact CB-CD1 4.41Å; P287-L307 HydrophobicContact CB-CD2 3.91Å; P287-L307 HydrophobicContact CG-CD2 3.61Å; M292-L307 HydrophobicContact CE-CD1 3.7Å; M292-L307 HydrophobicContact CE-CG 3.71Å; M292-L307 HydrophobicContact CG-CD1 4.19Å; M292-L307 HydrophobicContact SD-CD1 4.39Å; M292-L307 HydrophobicContact SD-CG 4.48Å; L307-H321 CarbonylContact C-O 3.59Å; L307-H321 WeakPolarHBondContact CA-O 3.35Å; L307-L322 HydrophobicContact CD2-CD2 3.79Å; L307-L322 HydrophobicContact CG-CD2 4.2Å; L307-M351 CarbonylContact O-C 3.57Å; L307-M351 WeakPolarHBondContact O-CA 3.48Å; L307-M351 WeakPolarHBondContact O-CG 3.49Å; L307-V352 HydrophobicContact CB-CB 4.03Å; L307-V352 HydrophobicContact CB-CG2 4.12Å; L307-V352 PolarHBondContact O-N 3.22Å
308	T	92.6	Very high	73.9	Confident	7 Å²	7	73.6 Å²	73.6	4%	0.043	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.5	174.6	62	0	0	0	0	110.9	V264 G320 H321 G350	V264-T308 HydrophobicContact CB-CG2 4.06Å; V264-T308 HydrophobicContact CG1-CG2 4.13Å; V264-T308 HydrophobicContact CG2-CG2 4.15Å; T308-G320 CarbonylContact O-C 3.43Å; T308-G320 VanDerWaalsContact O-CA 3.29Å; T308-G320 WeakPolarHBondContact O-CA 3.48Å; T308-H321 PolarHBondContact N-O 3.46Å; T308-H321 PolarHBondContact O-N 2.96Å; T308-H321 PolarHBondContact OG1-O 2.96Å; T308-G350 CarbonylContact C-O 3.51Å; T308-G350 WeakPolarHBondContact CA-O 3.31Å; T308-G350 WeakPolarHBondContact CB-O 3.49Å
309	T	86.4	Confident	73.3	Confident	29 Å²	29	74.3 Å²	74.3	18%	0.178	41%	0.413	C	S	.	.	S	Bend	trans	-102.5	-6.8	178.1	55.1	0	0	0	0	112.5	L225 L236 S347 G350 V352	L225-T309 HydrophobicContact CD2-CG2 4.07Å; L236-T309 HydrophobicContact CD1-CG2 4.01Å; L236-T309 HydrophobicContact CD2-CG2 3.7Å; T309-S347 PolarHBondContact OG1-OG 2.99Å; T309-G350 PolarHBondContact N-O 3.18Å; T309-G350 WeakPolarHBondContact OG1-CA 3.36Å; T309-G350 PolarHBondContact OG1-O 2.66Å; T309-V352 HydrophobicContact CG2-CG2 3.68Å
310	V	73.1	Confident	73.1	Confident	80 Å²	80	71 Å²	71	49%	0.485	40%	0.397	S	S	.	.			trans	-95	111.3	175.8	-174.4	0	0	0	0	108.1	V264	V264-V310 HydrophobicContact CG2-CB 4.31Å
311	S	56.1	Low	73.1	Confident	48 Å²	48	72 Å²	72	34%	0.336	40%	0.4	S	S	.	.			trans	-92	140.5	167.8	63.6	0	0	0	0	110.2	E313	S311-E313 PolarHBondContact O-N 3.12Å
312	G	45.9	Very low	73.2	Confident	77 Å²	77	64.4 Å²	64.4	79%	0.794	37%	0.372	S	S	*	.	S	Bend	trans	-67.1	125.7	161.6	0	0	0	0	0	109.3	E314	G312-E314 PolarHBondContact O-N 3.24Å
313	E	41.8	Very low	73.3	Confident	193 Å²	193	60.6 Å²	60.6	90%	0.902	35%	0.347	S	S	*	.	S	Bend	trans	33.4	52.9	159.7	-64.2	-169.2	150	0	0	118.9	S311	S311-E313 PolarHBondContact O-N 3.12Å
314	E	41.2	Very low	73.6	Confident	171 Å²	171	61.9 Å²	61.9	80%	0.799	34%	0.341	S	S	*	.			trans	178.7	112.1	142.8	-101.2	166.3	-165.8	0	0	109.5	G312 R316	G312-E314 PolarHBondContact O-N 3.24Å; E314-R316 PolarHBondContact O-N 3.19Å
315	G	43	Very low	73.8	Confident	71 Å²	71	60.1 Å²	60.1	73%	0.732	33%	0.332	S	S	*	.			trans	-68.2	85	-175.6	0	0	0	0	0	113.8	K317	G315-K317 VanDerWaalsContact C-N 3.32Å; G315-K317 PolarHBondContact O-N 3.48Å; G315-K317 VanDerWaalsContact O-N 3.09Å
316	R	46.5	Very low	73.8	Confident	189 Å²	189	62.5 Å²	62.5	71%	0.713	35%	0.349	S	S	*	.			trans	-74.1	92.4	154.8	-69.3	-179.3	88.5	102.2	-3.2	107.9	E286 E314 G318	E286-R316 IonicContact OE1-NE 3.97Å; E314-R316 PolarHBondContact O-N 3.19Å; R316-G318 PolarHBondContact O-N 2.93Å
317	K	53.8	Low	73.7	Confident	211 Å²	211	69.2 Å²	69.2	92%	0.917	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122.2	176.5	-74.1	179	175	179.5	0	110.2	G315	G315-K317 VanDerWaalsContact C-N 3.32Å; G315-K317 PolarHBondContact O-N 3.48Å; G315-K317 VanDerWaalsContact O-N 3.09Å
318	G	64.3	Low	73.8	Confident	30 Å²	30	71.5 Å²	71.5	31%	0.309	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	140.6	-27.2	153.1	0	0	0	0	0	116.7	E235 L236 R316	E235-G318 CarbonylContact C-O 3.59Å; E235-G318 VanDerWaalsContact CA-O 3.27Å; E235-G318 WeakPolarHBondContact CA-O 3.47Å; L236-G318 PolarHBondContact N-O 3.39Å; R316-G318 PolarHBondContact O-N 2.93Å
319	V	72.3	Confident	73.5	Confident	43 Å²	43	73.7 Å²	73.7	26%	0.261	40%	0.403	S	S	.	.			trans	-134.7	143.5	-170.7	-170.2	0	0	0	0	110.2	P287	P287-V319 HydrophobicContact CG-CG1 4.14Å
320	G	82.5	Confident	73.4	Confident	5 Å²	5	75.2 Å²	75.2	5%	0.052	41%	0.413	C	S	.	.			trans	-70.3	160.2	173.4	0	0	0	0	0	112.3	P287 T308	P287-G320 WeakPolarHBondContact CD-O 3.26Å; T308-G320 CarbonylContact O-C 3.43Å; T308-G320 VanDerWaalsContact O-CA 3.29Å; T308-G320 WeakPolarHBondContact O-CA 3.48Å
321	H	89.6	Confident	74	Confident	28 Å²	28	75.4 Å²	75.4	13%	0.13	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.1	177.5	-61.7	-77.7	0	0	0	111	G284 L307 T308	G284-H321 PolarHBondContact O-ND1 3.43Å; G284-H321 VanDerWaalsContact O-ND1 3.1Å; L307-H321 CarbonylContact C-O 3.59Å; L307-H321 WeakPolarHBondContact CA-O 3.35Å; T308-H321 PolarHBondContact N-O 3.46Å; T308-H321 PolarHBondContact O-N 2.96Å; T308-H321 PolarHBondContact OG1-O 2.96Å
322	L	92.6	Very high	75.4	Confident	9 Å²	9	78.5 Å²	78.5	5%	0.047	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.8	174.2	-65.8	175.9	0	0	0	110	C281 G284 A285 P287 M292 C305 V306 L307	C281-L322 HydrophobicContact CB-CD1 3.88Å; G284-L322 PolarHBondContact N-O 3.07Å; A285-L322 HydrophobicContact CB-CD1 4.47Å; A285-L322 WeakPolarHBondContact O-CB 3.42Å; A285-L322 WeakPolarHBondContact O-CG 3.35Å; A285-L322 PolarHBondContact O-N 3.01Å; P287-L322 HydrophobicContact CB-CD2 4.36Å; M292-L322 HydrophobicContact CE-CD2 4.18Å; M292-L322 HydrophobicContact SD-CD2 3.86Å; C305-L322 HydrophobicContact CB-CB 4.12Å; C305-L322 HydrophobicContact CB-CD2 4.32Å; V306-L322 WeakPolarHBondContact O-CA 3.19Å; L307-L322 HydrophobicContact CD2-CD2 3.79Å; L307-L322 HydrophobicContact CG-CD2 4.2Å
323	S	94	Very high	77.4	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.1	171.6	-168	0	0	0	0	110.4	T260 G262 E283 C305 V306	T260-S323 WeakPolarHBondContact CB-OG 3.36Å; T260-S323 PolarHBondContact OG1-OG 3.29Å; G262-S323 PolarHBondContact N-OG 2.81Å; E283-S323 WeakPolarHBondContact OE1-CA 3.5Å; E283-S323 VanDerWaalsContact OE1-CB 3.3Å; E283-S323 WeakPolarHBondContact OE1-CB 3.39Å; E283-S323 PolarHBondContact OE1-OG 3.12Å; E283-S323 VanDerWaalsContact OE2-CA 3.28Å; E283-S323 WeakPolarHBondContact OE2-CA 3.4Å; C305-S323 CarbonylContact C-O 3.59Å; C305-S323 VanDerWaalsContact CA-O 3.25Å; C305-S323 WeakPolarHBondContact CA-O 3.37Å; C305-S323 WeakPolarHBondContact CB-O 3.43Å; V306-S323 WeakPolarHBondContact CG2-O 3.4Å; V306-S323 PolarHBondContact N-O 2.91Å; V306-S323 PolarHBondContact O-N 3.24Å
324	R	95.4	Very high	79.7	Confident	66 Å²	66	73.3 Å²	73.3	25%	0.249	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.1	-177.2	-169.1	-176.6	-56.8	-74.2	-2.7	110.3	T260 E261 C281 E283 G303 Q304 S326	T260-R324 CarbonylContact C-O 3.43Å; T260-R324 WeakPolarHBondContact CA-O 3.36Å; T260-R324 WeakPolarHBondContact CB-O 3.48Å; E261-R324 HydrophobicContact CG-CB 4.19Å; E261-R324 PolarHBondContact N-O 2.91Å; E261-R324 WeakPolarHBondContact OE1-CD 3.41Å; C281-R324 PolarHBondContact O-NH2 3.2Å; E283-R324 PolarHBondContact OE2-N 3.5Å; G303-R324 PolarHBondContact O-NH1 3.39Å; Q304-R324 CarbonylContact O-C 3.58Å; Q304-R324 WeakPolarHBondContact O-CA 3.49Å; R324-S326 PolarHBondContact O-N 2.83Å
325	I	96.2	Very high	82	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.2	171.4	-56.4	177.9	0	0	0	108	I258 A300 P302 G303 Q304 V306 V328	I258-I325 HydrophobicContact CG2-CB 4.45Å; I258-I325 HydrophobicContact CG2-CD1 3.85Å; I258-I325 HydrophobicContact CG2-CG1 3.84Å; I258-I325 HydrophobicContact CG2-CG2 3.86Å; A300-I325 HydrophobicContact CB-CD1 4.22Å; P302-I325 CarbonylContact C-O 3.45Å; P302-I325 VanDerWaalsContact CA-O 3.28Å; P302-I325 WeakPolarHBondContact CA-O 3.12Å; G303-I325 PolarHBondContact N-O 3.15Å; Q304-I325 HydrophobicContact CB-CD1 4.01Å; Q304-I325 WeakPolarHBondContact O-CG1 3.29Å; Q304-I325 PolarHBondContact O-N 3.41Å; V306-I325 HydrophobicContact CG1-CD1 3.81Å; V306-I325 HydrophobicContact CG1-CG1 3.91Å; V306-I325 HydrophobicContact CG2-CG1 4.4Å; I325-V328 HydrophobicContact CG2-CG2 3.73Å
326	S	95.3	Very high	84.3	Confident	51 Å²	51	62 Å²	62	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-35.2	177.4	60.7	0	0	0	0	111.5	G259 T260 R324	G259-S326 PolarHBondContact O-N 2.76Å; G259-S326 PolarHBondContact O-OG 3.01Å; T260-S326 PolarHBondContact O-OG 3.45Å; R324-S326 PolarHBondContact O-N 2.83Å
327	R	93.4	Very high	86.6	Confident	143 Å²	143	53 Å²	53	54%	0.54	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.1	-178.8	65.6	178	-174.9	-105.5	-0.8	112.4	G259	G259-R327 PolarHBondContact N-O 3.34Å; G259-R327 PolarHBondContact O-N 2.87Å
328	V	93.1	Very high	88.5	Confident	48 Å²	48	43.2 Å²	43.2	29%	0.291	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.8	168.6	178.6	0	0	0	0	106.9	Y256 I258 P302 I325	Y256-V328 HydrophobicContact CD1-CG1 4.2Å; I258-V328 HydrophobicContact CD1-CB 4.32Å; I258-V328 HydrophobicContact CD1-CG1 3.81Å; I258-V328 HydrophobicContact CD1-CG2 3.82Å; P302-V328 HydrophobicContact CG-CG2 4.44Å; I325-V328 HydrophobicContact CG2-CG2 3.73Å
329	S	87.2	Confident	90	Very high	53 Å²	53	41.9 Å²	41.9	37%	0.371	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164.8	177.6	56.5	0	0	0	0	110.5	Y256 T257	Y256-S329 CarbonylContact C-O 3.55Å; Y256-S329 WeakPolarHBondContact CA-O 3.41Å; T257-S329 PolarHBondContact N-O 3.44Å; T257-S329 PolarHBondContact O-N 3.06Å
330	V	84.9	Confident	91.1	Very high	61 Å²	61	39.8 Å²	39.8	37%	0.37	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.6	174.8	-178.3	0	0	0	0	108.3	E254 F255 Y256	E254-V330 HydrophobicContact CB-CG1 3.98Å; E254-V330 HydrophobicContact CG-CG1 4.43Å; F255-V330 WeakPolarHBondContact O-CA 3.37Å; Y256-V330 HydrophobicContact CD1-CG2 4.08Å; Y256-V330 HydrophobicContact CE1-CG2 3.9Å; Y256-V330 HydrophobicContact CE2-CG2 4.34Å; Y256-V330 HydrophobicContact CG-CG2 4.4Å
331	Q	84.8	Confident	91.7	Very high	84 Å²	84	39.6 Å²	39.6	39%	0.393	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.6	173.1	89.8	178.3	22.2	0	0	110.5	E254 F255 D333	E254-Q331 CarbonylContact C-O 3.55Å; E254-Q331 WeakPolarHBondContact CA-O 3.43Å; F255-Q331 PolarHBondContact N-O 3.3Å; F255-Q331 PolarHBondContact O-N 3.42Å; Q331-D333 PolarHBondContact NE2-OD2 3.29Å; Q331-D333 VanDerWaalsContact NE2-OD2 3.13Å
332	E	85.6	Confident	91.9	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.533	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.1	167.4	-165.7	-168.3	124.4	0	0	109.5	R252 K253	R252-E332 HydrophobicContact CB-CG 4.48Å; R252-E332 WeakPolarHBondContact CD-OE1 3.35Å; R252-E332 IonicContact CZ-OE1 3.29Å; R252-E332 IonicContact NH1-OE1 3.6Å; R252-E332 PolarHBondContact NH1-OE1 2.94Å; K253-E332 WeakPolarHBondContact O-CA 3.49Å
333	D	88.9	Confident	92	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.3	176.2	-147.5	-28.8	0	0	0	110.8	P200 R252 K253 F255 Q331	P200-D333 HydrophobicContact CB-CB 3.77Å; R252-D333 WeakPolarHBondContact CA-O 3.19Å; K253-D333 PolarHBondContact N-O 3.34Å; K253-D333 PolarHBondContact O-N 3.47Å; F255-D333 HydrophobicContact CD2-CB 3.5Å; F255-D333 VanDerWaalsContact CD2-CB 3.5Å; F255-D333 HydrophobicContact CE2-CB 3.7Å; F255-D333 HydrophobicContact CG-CB 4.47Å; Q331-D333 PolarHBondContact NE2-OD2 3.29Å; Q331-D333 VanDerWaalsContact NE2-OD2 3.13Å
334	K	90	Very high	92	Very high	115 Å²	115	46.9 Å²	46.9	50%	0.5	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.2	-176.4	-169.5	-177.8	176.2	-171.2	0	111.6	G201 P249 R252	G201-K334 PolarHBondContact N-O 3.17Å; P249-K334 VanDerWaalsContact O-CE 3.3Å; P249-K334 WeakPolarHBondContact O-CE 2.9Å; R252-K334 HydrophobicContact CG-CG 4.45Å
335	G	88.9	Confident	92	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	138.7	177.8	0	0	0	0	0	111.5	P200 D248 T251 F255	P200-G335 WeakPolarHBondContact CA-O 3.29Å; D248-G335 CarbonylContact O-C 3.49Å; D248-G335 VanDerWaalsContact O-CA 3.3Å; D248-G335 WeakPolarHBondContact O-CA 3.44Å; T251-G335 WeakPolarHBondContact O-CA 3.15Å; T251-G335 PolarHBondContact O-N 2.93Å; F255-G335 WeakPolarHBondContact CZ-O 3.37Å
336	V	90.9	Very high	91.9	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123	173.8	-65.5	0	0	0	0	109.2	C198 R247 D248 T251 K253 F255	C198-V336 HydrophobicContact CB-CB 3.79Å; C198-V336 HydrophobicContact CB-CG1 4.29Å; R247-V336 CarbonylContact C-O 3.52Å; R247-V336 WeakPolarHBondContact CA-O 3.46Å; D248-V336 HydrophobicContact CB-CG2 3.67Å; D248-V336 PolarHBondContact N-O 3.42Å; D248-V336 PolarHBondContact O-N 2.93Å; T251-V336 HydrophobicContact CG2-CG1 4Å; T251-V336 HydrophobicContact CG2-CG2 4.15Å; K253-V336 HydrophobicContact CB-CG1 3.73Å; K253-V336 HydrophobicContact CD-CG1 3.41Å; K253-V336 VanDerWaalsContact CD-CG1 3.41Å; K253-V336 HydrophobicContact CG-CG1 4.18Å; F255-V336 HydrophobicContact CZ-CG1 4.12Å
337	F	94.1	Very high	92	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.2	-175.7	-62.7	-91.8	0	0	0	110.3	C198 F199 G201 I215 Q216 F244 D246 R247 P249 P339	C198-F337 CarbonylContact C-O 3.57Å; C198-F337 WeakPolarHBondContact CA-O 3.35Å; F199-F337 PolarHBondContact N-O 2.82Å; F199-F337 PolarHBondContact O-N 2.57Å; G201-F337 VanDerWaalsContact CA-CE2 3.49Å; I215-F337 HydrophobicContact CG2-CB 3.23Å; I215-F337 HydrophobicContact CG2-CD1 4.4Å; I215-F337 HydrophobicContact CG2-CD2 4.14Å; I215-F337 HydrophobicContact CG2-CG 3.71Å; Q216-F337 HydrophobicContact CB-CE1 4.3Å; Q216-F337 HydrophobicContact CB-CE2 3.87Å; Q216-F337 HydrophobicContact CB-CZ 3.63Å; F244-F337 HydrophobicContact CD1-CB 4.26Å; F244-F337 HydrophobicContact CD1-CD1 4.28Å; F244-F337 HydrophobicContact CE1-CB 4.11Å; F244-F337 AromaticContact CE1-CD1 3.99Å; F244-F337 HydrophobicContact CE1-CD1 3.99Å; D246-F337 CarbonylContact O-C 3.53Å; D246-F337 WeakPolarHBondContact O-CA 3.49Å; R247-F337 HydrophobicContact CG-CD1 3.87Å; R247-F337 HydrophobicContact CG-CE1 3.8Å; P249-F337 HydrophobicContact CB-CZ 4Å; P249-F337 HydrophobicContact CG-CE1 4.26Å; P249-F337 HydrophobicContact CG-CZ 3.97Å; F337-P339 WeakPolarHBondContact O-CD 3.44Å
338	A	94.5	Very high	92.1	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	76	177.8	0	0	0	0	0	110.6	G197 F244 L245 D246 L340	G197-A338 VanDerWaalsContact O-CB 3.24Å; G197-A338 WeakPolarHBondContact O-CB 3.38Å; F244-A338 CarbonylContact C-O 3.55Å; F244-A338 WeakPolarHBondContact CA-O 3.2Å; L245-A338 HydrophobicContact CB-CB 3.99Å; L245-A338 PolarHBondContact N-O 3.2Å; D246-A338 HydrophobicContact CB-CB 4Å; D246-A338 PolarHBondContact O-N 2.87Å; A338-L340 PolarHBondContact O-N 3.4Å
339	P	95.4	Very high	92.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.5	179.6	27.5	-34.8	0	0	0	111.5	F199 L218 V241 F244 F337 L346 C355	F199-P339 HydrophobicContact CD2-CG 4.42Å; L218-P339 HydrophobicContact CD2-CB 4.09Å; L218-P339 HydrophobicContact CD2-CG 4.43Å; V241-P339 HydrophobicContact CG1-CB 4.28Å; F244-P339 HydrophobicContact CD1-CB 4.18Å; F244-P339 HydrophobicContact CE1-CB 3.92Å; F244-P339 HydrophobicContact CE1-CG 4.48Å; F244-P339 HydrophobicContact CZ-CB 4.42Å; F337-P339 WeakPolarHBondContact O-CD 3.44Å; P339-L346 HydrophobicContact CG-CD1 3.61Å; P339-C355 PolarHBondContact O-SG 3.45Å
340	L	94.9	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.4	173	177.6	64.8	0	0	0	109.8	L242 T243 L245 A338 C355 Y356 L372 R373	L242-L340 PolarHBondContact N-O 3.14Å; T243-L340 HydrophobicContact CG2-CB 4.26Å; T243-L340 HydrophobicContact CG2-CD2 4.2Å; T243-L340 PolarHBondContact O-N 2.98Å; L245-L340 HydrophobicContact CD1-CD1 4.49Å; L245-L340 HydrophobicContact CD2-CB 4.04Å; L245-L340 HydrophobicContact CD2-CD2 4.01Å; L245-L340 HydrophobicContact CD2-CG 4.47Å; L245-L340 HydrophobicContact CG-CB 4.02Å; A338-L340 PolarHBondContact O-N 3.4Å; L340-C355 HydrophobicContact CD1-CB 4.09Å; L340-Y356 HydrophobicContact CD1-CE1 3.65Å; L340-L372 HydrophobicContact CD2-CD2 3.97Å; L340-R373 HydrophobicContact CD2-CG 4.14Å
341	T	95.4	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	161.4	171.4	72	0	0	0	0	111.4	V224 E240 V241 H343 G344 T345 L346 C355	V224-T341 HydrophobicContact CG2-CG2 3.79Å; E240-T341 CarbonylContact O-C 3.29Å; E240-T341 VanDerWaalsContact O-CA 3.24Å; E240-T341 WeakPolarHBondContact O-CA 3.28Å; V241-T341 HydrophobicContact CG2-CG2 4.37Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.48Å; T341-G344 PolarHBondContact O-N 2.92Å; T341-G344 VanDerWaalsContact O-N 3.11Å; T341-G344 PolarHBondContact OG1-N 3.19Å; T341-T345 WeakPolarHBondContact CG2-O 3.49Å; T341-T345 PolarHBondContact OG1-N 2.77Å; T341-T345 PolarHBondContact OG1-O 3.24Å; T341-L346 HydrophobicContact CG2-CB 4.05Å; T341-C355 PolarHBondContact N-SG 3.34Å; T341-C355 PolarHBondContact OG1-SG 2.87Å
342	R	94	Very high	93.5	Very high	123 Å²	123	24.3 Å²	24.3	46%	0.464	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39	173.7	-176.2	171.4	168.9	173.4	-7.2	113.5	S239 E240 L242 R373	S239-R342 PolarHBondContact OG-N 2.94Å; E240-R342 PolarHBondContact O-N 3.37Å; L242-R342 HydrophobicContact CD1-CB 4.39Å; R342-R373 PolarHBondContact O-NH1 3.1Å
343	H	94.5	Very high	94	Very high	68 Å²	68	18.9 Å²	18.9	32%	0.315	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.1	177.9	-69.1	85.2	0	0	0	113.5	S239 T341 T345 H366	S239-H343 VanDerWaalsContact CB-ND1 3.32Å; S239-H343 WeakPolarHBondContact CB-ND1 3.32Å; S239-H343 PolarHBondContact OG-N 3.1Å; S239-H343 PolarHBondContact OG-ND1 2.93Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.48Å; H343-T345 PolarHBondContact O-N 3.08Å; H343-H366 PolarHBondContact O-CE1 3.2Å
344	G	94.2	Very high	94.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	72.8	7	179.9	0	0	0	0	0	114.3	T341 C355 H362	T341-G344 PolarHBondContact O-N 2.92Å; T341-G344 VanDerWaalsContact O-N 3.11Å; T341-G344 PolarHBondContact OG1-N 3.19Å; G344-C355 WeakPolarHBondContact O-CB 3.19Å; G344-C355 PolarHBondContact O-N 2.87Å; G344-H362 PolarHBondContact O-CE1 3.35Å; G344-H362 VanDerWaalsContact O-CE1 3.25Å
345	T	95.4	Very high	94.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160.5	172.8	69.4	0	0	0	0	109.2	A226 S227 F275 T341 H343 A353	A226-T345 VanDerWaalsContact CB-O 3.26Å; A226-T345 WeakPolarHBondContact CB-O 3.21Å; S227-T345 PolarHBondContact N-OG1 3.36Å; S227-T345 PolarHBondContact O-OG1 3.21Å; F275-T345 HydrophobicContact CE2-CG2 4.01Å; F275-T345 HydrophobicContact CZ-CG2 3.89Å; T341-T345 WeakPolarHBondContact CG2-O 3.49Å; T341-T345 PolarHBondContact OG1-N 2.77Å; T341-T345 PolarHBondContact OG1-O 3.24Å; H343-T345 PolarHBondContact O-N 3.08Å; T345-A353 WeakPolarHBondContact CA-O 3.47Å
346	L	95.4	Very high	94.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	153.9	173.7	72.2	164.1	0	0	0	111	F199 V205 P339 T341 V348 A353	F199-L346 HydrophobicContact CE2-CD1 3.92Å; F199-L346 HydrophobicContact CE2-CD2 3.9Å; F199-L346 HydrophobicContact CE2-CG 4.31Å; F199-L346 HydrophobicContact CZ-CD1 4.48Å; F199-L346 HydrophobicContact CZ-CD2 4.01Å; F199-L346 HydrophobicContact CZ-CG 4.45Å; V205-L346 HydrophobicContact CG1-CD1 4.39Å; P339-L346 HydrophobicContact CG-CD1 3.61Å; T341-L346 HydrophobicContact CG2-CB 4.05Å; L346-V348 HydrophobicContact CD1-CG2 3.49Å; L346-V348 VanDerWaalsContact CD1-CG2 3.49Å; L346-V348 HydrophobicContact CG-CG2 3.68Å; L346-A353 PolarHBondContact N-O 3.29Å; L346-A353 PolarHBondContact O-N 2.98Å
347	S	95.4	Very high	94.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.4	172.8	175	0	0	0	0	109.7	L225 T309 M351	L225-S347 WeakPolarHBondContact O-CB 3.45Å; L225-S347 PolarHBondContact O-N 3.2Å; T309-S347 PolarHBondContact OG1-OG 2.99Å; S347-M351 CarbonylContact C-O 3.5Å; S347-M351 WeakPolarHBondContact CA-O 3.4Å
348	V	96.7	Very high	94.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.2	177.3	-174.7	0	0	0	0	109.1	F199 A203 W204 V205 I215 L266 L346 G350 M351	F199-V348 HydrophobicContact CD1-CB 4.26Å; F199-V348 HydrophobicContact CD1-CG1 4Å; F199-V348 HydrophobicContact CD1-CG2 4.08Å; F199-V348 HydrophobicContact CD2-CG2 4.21Å; F199-V348 HydrophobicContact CE1-CB 4.09Å; F199-V348 HydrophobicContact CE1-CG1 4.34Å; F199-V348 HydrophobicContact CE1-CG2 3.77Å; F199-V348 HydrophobicContact CE2-CG2 3.9Å; F199-V348 HydrophobicContact CG-CG1 4.36Å; F199-V348 HydrophobicContact CG-CG2 4.28Å; F199-V348 HydrophobicContact CZ-CB 4.46Å; F199-V348 HydrophobicContact CZ-CG2 3.67Å; A203-V348 HydrophobicContact CB-CG1 3.68Å; W204-V348 CarbonylContact O-C 3.44Å; W204-V348 WeakPolarHBondContact O-CA 3.42Å; V205-V348 HydrophobicContact CG1-CG2 4.14Å; I215-V348 HydrophobicContact CD1-CG1 3.67Å; I215-V348 HydrophobicContact CD1-CG2 3.99Å; L266-V348 HydrophobicContact CD1-CB 3.55Å; L266-V348 HydrophobicContact CD1-CG1 3.42Å; L266-V348 VanDerWaalsContact CD1-CG1 3.42Å; L346-V348 HydrophobicContact CD1-CG2 3.49Å; L346-V348 VanDerWaalsContact CD1-CG2 3.49Å; L346-V348 HydrophobicContact CG-CG2 3.68Å; V348-G350 PolarHBondContact O-N 3Å; V348-M351 PolarHBondContact N-O 2.9Å; V348-M351 PolarHBondContact O-N 2.97Å
349	N	95.9	Very high	93.5	Very high	31 Å²	31	14 Å²	14	17%	0.166	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	27.3	-175.6	-66.8	14.8	0	0	0	114.1	A203 W204 V264 S265 L266	A203-N349 WeakPolarHBondContact CA-OD1 3.46Å; W204-N349 VanDerWaalsContact CD1-OD1 3.29Å; W204-N349 VanDerWaalsContact CZ2-C 3.48Å; W204-N349 VanDerWaalsContact CZ2-CA 3.5Å; W204-N349 HydrophobicContact CZ2-CB 4.39Å; W204-N349 PolarHBondContact N-OD1 3.02Å; W204-N349 PolarHBondContact O-N 2.86Å; V264-N349 WeakPolarHBondContact CG1-O 3.46Å; S265-N349 WeakPolarHBondContact O-CB 3.46Å; S265-N349 PolarHBondContact O-ND2 2.94Å; S265-N349 VanDerWaalsContact O-ND2 3.13Å; L266-N349 HydrophobicContact CD1-CB 4.34Å
350	G	92.6	Very high	92.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	11.2	-176.3	0	0	0	0	0	115.4	T308 T309 V348	T308-G350 CarbonylContact C-O 3.51Å; T308-G350 WeakPolarHBondContact CA-O 3.31Å; T308-G350 WeakPolarHBondContact CB-O 3.49Å; T309-G350 PolarHBondContact N-O 3.18Å; T309-G350 WeakPolarHBondContact OG1-CA 3.36Å; T309-G350 PolarHBondContact OG1-O 2.66Å; V348-G350 PolarHBondContact O-N 3Å
351	M	95.2	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.1	175.4	-174	-178.9	-57.5	0	0	111	I258 T260 V264 L266 L274 V306 L307 S347 V348	I258-M351 HydrophobicContact CG2-CE 4.38Å; T260-M351 HydrophobicContact CG2-CE 3.51Å; V264-M351 HydrophobicContact CG1-CB 4.06Å; V264-M351 HydrophobicContact CG1-CE 4.15Å; L266-M351 HydrophobicContact CB-CB 4.12Å; L266-M351 HydrophobicContact CB-CE 4.01Å; L266-M351 HydrophobicContact CB-SD 3.84Å; L266-M351 HydrophobicContact CD2-CB 4.02Å; L266-M351 HydrophobicContact CD2-CG 4.1Å; L266-M351 HydrophobicContact CD2-SD 3.84Å; L266-M351 HydrophobicContact CG-SD 4.48Å; L274-M351 HydrophobicContact CD2-SD 4.33Å; V306-M351 HydrophobicContact CB-CE 4.45Å; V306-M351 HydrophobicContact CB-CG 4.36Å; V306-M351 HydrophobicContact CB-SD 3.99Å; V306-M351 HydrophobicContact CG1-SD 4.21Å; V306-M351 HydrophobicContact CG2-CE 3.62Å; V306-M351 HydrophobicContact CG2-CG 4.29Å; V306-M351 HydrophobicContact CG2-SD 3.82Å; L307-M351 CarbonylContact O-C 3.57Å; L307-M351 WeakPolarHBondContact O-CA 3.48Å; L307-M351 WeakPolarHBondContact O-CG 3.49Å; S347-M351 CarbonylContact C-O 3.5Å; S347-M351 WeakPolarHBondContact CA-O 3.4Å; V348-M351 PolarHBondContact N-O 2.9Å; V348-M351 PolarHBondContact O-N 2.97Å
352	V	95.3	Very high	92	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.3	178	-175.4	0	0	0	0	110.4	F275 L307 T309	F275-V352 HydrophobicContact CD2-CG1 4Å; F275-V352 HydrophobicContact CE2-CG1 4.14Å; L307-V352 HydrophobicContact CB-CB 4.03Å; L307-V352 HydrophobicContact CB-CG2 4.12Å; L307-V352 PolarHBondContact O-N 3.22Å; T309-V352 HydrophobicContact CG2-CG2 3.68Å
353	A	96.2	Very high	91.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.7	176.5	0	0	0	0	0	111.2	F199 L266 L274 T345 L346	F199-A353 HydrophobicContact CE1-CB 4.17Å; F199-A353 HydrophobicContact CZ-CB 3.88Å; L266-A353 HydrophobicContact CD2-CB 4.16Å; L274-A353 HydrophobicContact CD2-CB 4.29Å; T345-A353 WeakPolarHBondContact CA-O 3.47Å; L346-A353 PolarHBondContact N-O 3.29Å; L346-A353 PolarHBondContact O-N 2.98Å
354	S	96.1	Very high	91.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	153.1	171.9	-168	0	0	0	0	110.3	H272 L273 Y356 H362	H272-S354 PolarHBondContact NE2-O 2.72Å; L273-S354 PolarHBondContact O-N 3.01Å; S354-Y356 PolarHBondContact O-N 2.67Å; S354-Y356 WeakPolarHBondContact OG-CD2 3.49Å; S354-Y356 PolarHBondContact OG-N 3.17Å; S354-Y356 VanDerWaalsContact OG-N 3.16Å; S354-H362 PolarHBondContact OG-ND1 2.87Å
355	C	94.9	Very high	91.5	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.034	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-1.9	163.2	-66.4	0	0	0	0	113.3	P339 L340 T341 G344	P339-C355 PolarHBondContact O-SG 3.45Å; L340-C355 HydrophobicContact CD1-CB 4.09Å; T341-C355 PolarHBondContact N-SG 3.34Å; T341-C355 PolarHBondContact OG1-SG 2.87Å; G344-C355 WeakPolarHBondContact O-CB 3.19Å; G344-C355 PolarHBondContact O-N 2.87Å
356	Y	93.1	Very high	91.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.7	-166.3	-52.4	-59.7	0	0	0	111.5	L245 L273 L340 S354 H362 A365 H366 F369	L245-Y356 HydrophobicContact CD1-CD1 4.35Å; L273-Y356 WeakPolarHBondContact CB-O 3.38Å; L273-Y356 WeakPolarHBondContact CG-O 3.43Å; L273-Y356 PolarHBondContact N-O 3.21Å; L340-Y356 HydrophobicContact CD1-CE1 3.65Å; S354-Y356 PolarHBondContact O-N 2.67Å; S354-Y356 WeakPolarHBondContact OG-CD2 3.49Å; S354-Y356 PolarHBondContact OG-N 3.17Å; S354-Y356 VanDerWaalsContact OG-N 3.16Å; Y356-H362 AromaticContact CD2-CE1 3.86Å; Y356-H362 AromaticContact CD2-ND1 3.63Å; Y356-H362 AromaticContact CE2-CE1 3.77Å; Y356-A365 HydrophobicContact CD1-CB 4.01Å; Y356-A365 HydrophobicContact CD2-CB 3.9Å; Y356-A365 HydrophobicContact CG-CB 3.55Å; Y356-H366 HydrophobicContact CD2-CB 4.37Å; Y356-H366 VanDerWaalsContact CE2-CA 3.49Å; Y356-H366 HydrophobicContact CE2-CB 3.58Å; Y356-H366 AromaticContact CE2-CG 3.92Å; Y356-H366 AromaticContact CE2-ND1 3.44Å; Y356-H366 WeakPolarHBondContact CE2-ND1 3.37Å; Y356-H366 AromaticContact CZ-ND1 3.58Å; Y356-H366 PolarHBondContact OH-ND1 3.02Å; Y356-F369 AromaticContact CD1-CD2 3.57Å; Y356-F369 HydrophobicContact CD1-CD2 3.57Å; Y356-F369 AromaticContact CD1-CE2 3.86Å; Y356-F369 HydrophobicContact CD1-CE2 3.86Å; Y356-F369 HydrophobicContact CD1-CG 4.38Å; Y356-F369 HydrophobicContact CE1-CB 3.87Å; Y356-F369 AromaticContact CE1-CD2 3.36Å; Y356-F369 HydrophobicContact CE1-CD2 3.36Å; Y356-F369 HydrophobicContact CE1-CE2 4.07Å; Y356-F369 AromaticContact CE1-CG 3.75Å; Y356-F369 HydrophobicContact CE1-CG 3.75Å
357	A	89.6	Confident	91.3	Very high	20 Å²	20	30.4 Å²	30.4	17%	0.165	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	-178.3	-171.5	0	0	0	0	0	110.5	G196 A271 V359	G196-A357 WeakPolarHBondContact O-CB 3.25Å; A271-A357 WeakPolarHBondContact O-CA 3.4Å; A271-A357 VanDerWaalsContact O-CB 3.29Å; A271-A357 WeakPolarHBondContact O-CB 3.35Å; A357-V359 PolarHBondContact O-N 3.13Å
358	V	80.4	Confident	91.1	Very high	20 Å²	20	32.2 Å²	32.2	12%	0.121	16%	0.158	C	C	.	.	S	Bend	trans	66.1	-51.4	-174.8	-161.6	0	0	0	0	112.7	A271 Y296 Y399 F411 H412 G415	A271-V358 PolarHBondContact O-N 3.41Å; A271-V358 VanDerWaalsContact O-N 3.15Å; Y296-V358 PolarHBondContact OH-O 3.08Å; V358-Y399 HydrophobicContact CG1-CD2 4.21Å; V358-Y399 HydrophobicContact CG1-CE2 3.81Å; V358-F411 HydrophobicContact CG1-CD1 3.7Å; V358-F411 HydrophobicContact CG1-CE1 4.49Å; V358-F411 CarbonylContact O-C 3.56Å; V358-F411 VanDerWaalsContact O-CA 3.29Å; V358-F411 WeakPolarHBondContact O-CA 3.4Å; V358-H412 PolarHBondContact O-N 3.35Å; V358-G415 WeakPolarHBondContact CG1-O 3.45Å
359	V	82.3	Confident	91	Very high	21 Å²	21	33.2 Å²	33.2	13%	0.127	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-90.8	136	-179	178.5	0	0	0	0	110.1	L273 A357 R361 L364 H410 F411	L273-V359 WeakPolarHBondContact CD1-O 3.49Å; A357-V359 PolarHBondContact O-N 3.13Å; V359-R361 PolarHBondContact O-N 3.04Å; V359-L364 HydrophobicContact CG1-CB 4.41Å; V359-L364 HydrophobicContact CG1-CD2 3.73Å; V359-L364 HydrophobicContact CG1-CG 4.44Å; V359-H410 CarbonylContact C-O 3.51Å; V359-H410 VanDerWaalsContact CA-O 3.29Å; V359-H410 WeakPolarHBondContact CA-O 3.31Å; V359-F411 HydrophobicContact CG2-CD1 4.07Å; V359-F411 HydrophobicContact CG2-CE1 3.82Å
360	D	80.5	Confident	90.9	Very high	49 Å²	49	33.2 Å²	33.2	26%	0.262	17%	0.167	S	C	.	.	S	Bend	trans	-67.5	-18.3	-172.3	64.3	-16.5	0	0	0	114.7	T294 Y296 H410	T294-D360 PolarHBondContact OG1-O 3.46Å; Y296-D360 HydrophobicContact CE2-CB 4.09Å; Y296-D360 VanDerWaalsContact OH-CA 3.29Å; Y296-D360 WeakPolarHBondContact OH-CA 3.48Å; Y296-D360 WeakPolarHBondContact OH-CB 3.45Å; Y296-D360 PolarHBondContact OH-N 3.49Å; D360-H410 PolarHBondContact N-O 2.91Å; D360-H410 IonicContact OD1-CG 2.66Å; D360-H410 IonicContact OD1-ND1 3.25Å; D360-H410 PolarHBondContact OD1-ND1 3.36Å; D360-H410 IonicContact OD2-ND1 3.53Å; D360-H410 PolarHBondContact OD2-ND1 3.38Å
361	R	85.1	Confident	91	Very high	114 Å²	114	36.7 Å²	36.7	43%	0.43	19%	0.189	S	C	.	.			trans	-112.6	117	-177.8	-66.4	-171.3	-60.9	160.3	1.2	112.7	V359 D363 L364 A365	V359-R361 PolarHBondContact O-N 3.04Å; R361-D363 VanDerWaalsContact C-N 3.34Å; R361-D363 PolarHBondContact O-N 3.47Å; R361-L364 HydrophobicContact CB-CB 3.94Å; R361-L364 PolarHBondContact O-N 3.19Å; R361-A365 PolarHBondContact O-N 3.48Å
362	H	90.1	Very high	90.7	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-52.5	-50.4	170.9	171.2	93.2	0	0	0	111.7	S230 L273 F275 T294 G344 S354 Y356 L364 A365 H366	S230-H362 PolarHBondContact O-CD2 2.83Å; L273-H362 HydrophobicContact CD1-CB 4.45Å; F275-H362 HydrophobicContact CE1-CB 4.27Å; F275-H362 AromaticContact CZ-ND1 3.79Å; T294-H362 HydrophobicContact CG2-CB 3.55Å; G344-H362 PolarHBondContact O-CE1 3.35Å; G344-H362 VanDerWaalsContact O-CE1 3.25Å; S354-H362 PolarHBondContact OG-ND1 2.87Å; Y356-H362 AromaticContact CD2-CE1 3.86Å; Y356-H362 AromaticContact CD2-ND1 3.63Å; Y356-H362 AromaticContact CE2-CE1 3.77Å; H362-L364 VanDerWaalsContact C-N 3.28Å; H362-L364 PolarHBondContact O-N 3.16Å; H362-A365 PolarHBondContact O-N 2.9Å; H362-H366 VanDerWaalsContact O-CB 3.29Å; H362-H366 WeakPolarHBondContact O-CB 3.44Å; H362-H366 PolarHBondContact O-N 3.22Å
363	D	91.1	Very high	90.6	Very high	79 Å²	79	38.8 Å²	38.8	42%	0.422	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-40.4	-175.5	-58.4	-51.5	0	0	0	111.9	S230 R361 H366 W367	S230-D363 WeakPolarHBondContact CB-OD1 3.17Å; S230-D363 PolarHBondContact OG-OD1 3.13Å; R361-D363 VanDerWaalsContact C-N 3.34Å; R361-D363 PolarHBondContact O-N 3.47Å; D363-H366 PolarHBondContact O-N 3.3Å; D363-W367 WeakPolarHBondContact O-CB 3.05Å; D363-W367 PolarHBondContact O-N 3.18Å
364	L	90.4	Very high	90.3	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.267	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-47.2	179.5	-173.2	67	0	0	0	110.9	V359 R361 H362 H366 W367 A368 L406	V359-L364 HydrophobicContact CG1-CB 4.41Å; V359-L364 HydrophobicContact CG1-CD2 3.73Å; V359-L364 HydrophobicContact CG1-CG 4.44Å; R361-L364 HydrophobicContact CB-CB 3.94Å; R361-L364 PolarHBondContact O-N 3.19Å; H362-L364 VanDerWaalsContact C-N 3.28Å; H362-L364 PolarHBondContact O-N 3.16Å; L364-H366 VanDerWaalsContact C-N 3.34Å; L364-W367 PolarHBondContact O-N 2.96Å; L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 2.93Å; L364-L406 HydrophobicContact CD2-CD1 3.82Å; L364-L406 HydrophobicContact CD2-CD2 4.27Å
365	A	90.5	Very high	89.9	Confident	7 Å²	7	47.6 Å²	47.6	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-43.5	175.6	0	0	0	0	0	111	Y356 R361 H362 W367 A368 F369	Y356-A365 HydrophobicContact CD1-CB 4.01Å; Y356-A365 HydrophobicContact CD2-CB 3.9Å; Y356-A365 HydrophobicContact CG-CB 3.55Å; R361-A365 PolarHBondContact O-N 3.48Å; H362-A365 PolarHBondContact O-N 2.9Å; A365-W367 VanDerWaalsContact C-N 3.32Å; A365-W367 PolarHBondContact O-N 3.2Å; A365-A368 WeakPolarHBondContact O-CB 3.32Å; A365-A368 PolarHBondContact O-N 3.41Å; A365-A368 VanDerWaalsContact O-N 3.11Å; A365-F369 VanDerWaalsContact O-CD2 3.26Å; A365-F369 WeakPolarHBondContact O-CD2 3.47Å; A365-F369 PolarHBondContact O-N 3.28Å
366	H	92.8	Very high	89.5	Confident	37 Å²	37	48.3 Å²	48.3	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-44.1	178.5	-166.6	68.3	0	0	0	112.1	H343 Y356 H362 D363 L364 F369 A370 R373	H343-H366 PolarHBondContact O-CE1 3.2Å; Y356-H366 HydrophobicContact CD2-CB 4.37Å; Y356-H366 VanDerWaalsContact CE2-CA 3.49Å; Y356-H366 HydrophobicContact CE2-CB 3.58Å; Y356-H366 AromaticContact CE2-CG 3.92Å; Y356-H366 AromaticContact CE2-ND1 3.44Å; Y356-H366 WeakPolarHBondContact CE2-ND1 3.37Å; Y356-H366 AromaticContact CZ-ND1 3.58Å; Y356-H366 PolarHBondContact OH-ND1 3.02Å; H362-H366 VanDerWaalsContact O-CB 3.29Å; H362-H366 WeakPolarHBondContact O-CB 3.44Å; H362-H366 PolarHBondContact O-N 3.22Å; D363-H366 PolarHBondContact O-N 3.3Å; L364-H366 VanDerWaalsContact C-N 3.34Å; H366-F369 PolarHBondContact O-N 3.32Å; H366-A370 PolarHBondContact O-N 3.48Å; H366-R373 PolarHBondContact CD2-NH2 3Å; H366-R373 PolarHBondContact CE1-NH1 2.83Å; H366-R373 PolarHBondContact CE1-NH2 2.91Å; H366-R373 VanDerWaalsContact NE2-CZ 3.26Å; H366-R373 PolarHBondContact NE2-NH1 2.87Å; H366-R373 PolarHBondContact NE2-NH2 3.04Å; H366-R373 PolarHBondContact O-NH2 3.49Å
367	W	93.2	Very high	88.9	Confident	197 Å²	197	56.4 Å²	56.4	75%	0.746	28%	0.277	S	S	*	.	H	α-helix	trans	-63.2	-45.4	172.9	-89.7	102	0	0	0	112.3	D363 L364 A365 F369 A370	D363-W367 WeakPolarHBondContact O-CB 3.05Å; D363-W367 PolarHBondContact O-N 3.18Å; L364-W367 PolarHBondContact O-N 2.96Å; A365-W367 VanDerWaalsContact C-N 3.32Å; A365-W367 PolarHBondContact O-N 3.2Å; W367-F369 PolarHBondContact O-N 2.56Å; W367-A370 WeakPolarHBondContact O-CB 3.4Å; W367-A370 PolarHBondContact O-N 3.05Å
368	A	92.1	Very high	88.4	Confident	38 Å²	38	65.9 Å²	65.9	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-34.7	177.7	0	0	0	0	0	112.3	L364 A365 P371 Y394 L398	L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 2.93Å; A365-A368 WeakPolarHBondContact O-CB 3.32Å; A365-A368 PolarHBondContact O-N 3.41Å; A365-A368 VanDerWaalsContact O-N 3.11Å; A368-P371 WeakPolarHBondContact O-CD 2.96Å; A368-Y394 PolarHBondContact O-OH 2.87Å; A368-L398 HydrophobicContact CB-CD1 3.9Å; A368-L398 HydrophobicContact CB-CD2 4.12Å
369	F	93.4	Very high	88.2	Confident	20 Å²	20	68.4 Å²	68.4	9%	0.088	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1	175.7	-78.4	-79.5	0	0	0	114.4	L245 Y356 A365 H366 W367 L372 R373 Y394 L398	L245-F369 HydrophobicContact CD1-CE1 4.11Å; L245-F369 HydrophobicContact CD1-CE2 4.29Å; L245-F369 HydrophobicContact CD1-CZ 3.87Å; L245-F369 HydrophobicContact CD2-CD1 4.08Å; L245-F369 HydrophobicContact CD2-CE1 3.48Å; L245-F369 VanDerWaalsContact CD2-CE1 3.48Å; L245-F369 HydrophobicContact CD2-CZ 4.03Å; L245-F369 HydrophobicContact CG-CE1 4.43Å; Y356-F369 AromaticContact CD1-CD2 3.57Å; Y356-F369 HydrophobicContact CD1-CD2 3.57Å; Y356-F369 AromaticContact CD1-CE2 3.86Å; Y356-F369 HydrophobicContact CD1-CE2 3.86Å; Y356-F369 HydrophobicContact CD1-CG 4.38Å; Y356-F369 HydrophobicContact CE1-CB 3.87Å; Y356-F369 AromaticContact CE1-CD2 3.36Å; Y356-F369 HydrophobicContact CE1-CD2 3.36Å; Y356-F369 HydrophobicContact CE1-CE2 4.07Å; Y356-F369 AromaticContact CE1-CG 3.75Å; Y356-F369 HydrophobicContact CE1-CG 3.75Å; A365-F369 VanDerWaalsContact O-CD2 3.26Å; A365-F369 WeakPolarHBondContact O-CD2 3.47Å; A365-F369 PolarHBondContact O-N 3.28Å; H366-F369 PolarHBondContact O-N 3.32Å; W367-F369 PolarHBondContact O-N 2.56Å; F369-L372 HydrophobicContact CD1-CD2 3.92Å; F369-L372 HydrophobicContact CE1-CD2 4.26Å; F369-L372 PolarHBondContact O-N 3.44Å; F369-R373 WeakPolarHBondContact O-CG 3.08Å; F369-R373 PolarHBondContact O-N 3.27Å; F369-Y394 AromaticContact CD1-CD1 3.75Å; F369-Y394 HydrophobicContact CD1-CD1 3.75Å; F369-Y394 AromaticContact CD1-CE1 3.94Å; F369-Y394 HydrophobicContact CD1-CE1 3.94Å; F369-Y394 AromaticContact CE1-CD1 3.8Å; F369-Y394 HydrophobicContact CE1-CD1 3.8Å; F369-Y394 HydrophobicContact CE1-CE1 4.34Å; F369-L398 HydrophobicContact CD1-CD1 4Å; F369-L398 HydrophobicContact CD2-CD1 3.92Å; F369-L398 HydrophobicContact CE1-CD1 3.85Å; F369-L398 HydrophobicContact CE2-CD1 3.75Å; F369-L398 HydrophobicContact CG-CD1 4.04Å; F369-L398 HydrophobicContact CZ-CD1 3.72Å
370	A	93.8	Very high	87.4	Confident	32 Å²	32	69 Å²	69	26%	0.264	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-41.5	178.7	0	0	0	0	0	113.9	H366 W367 L372 R373 L374	H366-A370 PolarHBondContact O-N 3.48Å; W367-A370 WeakPolarHBondContact O-CB 3.4Å; W367-A370 PolarHBondContact O-N 3.05Å; A370-L372 PolarHBondContact O-N 2.97Å; A370-R373 PolarHBondContact O-N 3.03Å; A370-L374 WeakPolarHBondContact O-CB 3.25Å; A370-L374 PolarHBondContact O-N 3.39Å
371	P	94	Very high	86.3	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-42.7	177.3	-23.7	35.6	0	0	0	112.8	A368 L374 L375 Y394	A368-P371 WeakPolarHBondContact O-CD 2.96Å; P371-L374 PolarHBondContact O-N 2.68Å; P371-L375 PolarHBondContact O-N 3.35Å; P371-Y394 WeakPolarHBondContact CB-OH 3.48Å; P371-Y394 WeakPolarHBondContact CG-OH 3.47Å
372	L	90.2	Very high	84.2	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-44.4	176.4	-177.6	64.7	0	0	0	111.3	T243 L245 L340 F369 A370 L374 L375 H376 Y394	T243-L372 HydrophobicContact CG2-CD2 4.4Å; L245-L372 HydrophobicContact CD2-CD2 4.35Å; L340-L372 HydrophobicContact CD2-CD2 3.97Å; F369-L372 HydrophobicContact CD1-CD2 3.92Å; F369-L372 HydrophobicContact CE1-CD2 4.26Å; F369-L372 PolarHBondContact O-N 3.44Å; A370-L372 PolarHBondContact O-N 2.97Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.04Å; L372-L375 WeakPolarHBondContact O-CB 3.3Å; L372-L375 PolarHBondContact O-N 3.39Å; L372-H376 PolarHBondContact O-CD2 2.89Å; L372-H376 PolarHBondContact O-N 2.97Å; L372-H376 VanDerWaalsContact O-N 3.08Å; L372-Y394 HydrophobicContact CB-CD1 3.75Å; L372-Y394 HydrophobicContact CB-CE1 3.78Å; L372-Y394 HydrophobicContact CB-CG 4.23Å; L372-Y394 HydrophobicContact CD1-CG 4.43Å; L372-Y394 HydrophobicContact CD2-CD1 3.85Å; L372-Y394 HydrophobicContact CD2-CG 4.23Å; L372-Y394 HydrophobicContact CG-CD1 4.29Å
373	R	91.8	Very high	81.9	Confident	43 Å²	43	70.7 Å²	70.7	16%	0.162	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-37.6	177.5	-68	-175.5	-67.7	139.5	-5.4	112.4	L242 L340 R342 H366 F369 A370 R377	L242-R373 HydrophobicContact CD1-CB 4.06Å; L242-R373 HydrophobicContact CD1-CG 3.69Å; L340-R373 HydrophobicContact CD2-CG 4.14Å; R342-R373 PolarHBondContact O-NH1 3.1Å; H366-R373 PolarHBondContact CD2-NH2 3Å; H366-R373 PolarHBondContact CE1-NH1 2.83Å; H366-R373 PolarHBondContact CE1-NH2 2.91Å; H366-R373 VanDerWaalsContact NE2-CZ 3.26Å; H366-R373 PolarHBondContact NE2-NH1 2.87Å; H366-R373 PolarHBondContact NE2-NH2 3.04Å; H366-R373 PolarHBondContact O-NH2 3.49Å; F369-R373 WeakPolarHBondContact O-CG 3.08Å; F369-R373 PolarHBondContact O-N 3.27Å; A370-R373 PolarHBondContact O-N 3.03Å; R373-R377 PolarHBondContact O-N 2.84Å; R373-R377 VanDerWaalsContact O-N 3.14Å
374	L	90.8	Very high	79.7	Confident	95 Å²	95	68.5 Å²	68.5	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-40.4	175	-175.8	66.7	0	0	0	111.6	A370 P371 L372 R377 W378	A370-L374 WeakPolarHBondContact O-CB 3.25Å; A370-L374 PolarHBondContact O-N 3.39Å; P371-L374 PolarHBondContact O-N 2.68Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.04Å; L374-R377 WeakPolarHBondContact O-CB 3.42Å; L374-R377 PolarHBondContact O-N 3.28Å; L374-W378 PolarHBondContact O-N 2.6Å
375	L	88.4	Confident	77.6	Confident	89 Å²	89	74.4 Å²	74.4	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-50.5	176.6	-176	67.7	0	0	0	111	P371 L372 R377 W378 T379	P371-L375 PolarHBondContact O-N 3.35Å; L372-L375 WeakPolarHBondContact O-CB 3.3Å; L372-L375 PolarHBondContact O-N 3.39Å; L375-R377 VanDerWaalsContact C-N 3.26Å; L375-R377 PolarHBondContact O-N 3.18Å; L375-W378 PolarHBondContact O-N 2.98Å; L375-T379 HydrophobicContact CD1-CG2 4Å; L375-T379 HydrophobicContact CG-CG2 4.34Å; L375-T379 PolarHBondContact O-N 3.18Å; L375-T379 PolarHBondContact O-OG1 3.09Å; L375-T379 VanDerWaalsContact O-OG1 3.1Å
376	H	85.3	Confident	75.7	Confident	21 Å²	21	79.1 Å²	79.1	10%	0.097	43%	0.425	C	S	.	.	H	α-helix	trans	-61.6	-32.8	177.2	-84.2	-84.8	0	0	0	113.2	L242 L372 W378 G380	L242-H376 HydrophobicContact CB-CB 4.32Å; L242-H376 HydrophobicContact CD2-CB 4.28Å; L242-H376 PolarHBondContact O-CE1 2.88Å; L242-H376 PolarHBondContact O-ND1 3.46Å; L372-H376 PolarHBondContact O-CD2 2.89Å; L372-H376 PolarHBondContact O-N 2.97Å; L372-H376 VanDerWaalsContact O-N 3.08Å; H376-W378 VanDerWaalsContact C-N 3.26Å; H376-W378 PolarHBondContact O-N 3.25Å; H376-G380 WeakPolarHBondContact O-CA 3.36Å; H376-G380 PolarHBondContact O-N 2.91Å; H376-G380 VanDerWaalsContact O-N 3.1Å
377	R	81.4	Confident	73.7	Confident	172 Å²	172	80.4 Å²	80.4	65%	0.649	45%	0.447	S	S	*	.	H	α-helix	trans	-63.9	-31.7	173.2	-176.2	-178.6	177.9	-173	-0.7	112.4	R373 L374 L375	R373-R377 PolarHBondContact O-N 2.84Å; R373-R377 VanDerWaalsContact O-N 3.14Å; L374-R377 WeakPolarHBondContact O-CB 3.42Å; L374-R377 PolarHBondContact O-N 3.28Å; L375-R377 VanDerWaalsContact C-N 3.26Å; L375-R377 PolarHBondContact O-N 3.18Å
378	W	78.9	Confident	72.1	Confident	220 Å²	220	77 Å²	77	83%	0.833	44%	0.444	S	S	*	.	H	α-helix	trans	-89.1	-43	-177.8	-93.9	22.2	0	0	0	113.5	L374 L375 H376 G380	L374-W378 PolarHBondContact O-N 2.6Å; L375-W378 PolarHBondContact O-N 2.98Å; H376-W378 VanDerWaalsContact C-N 3.26Å; H376-W378 PolarHBondContact O-N 3.25Å; W378-G380 VanDerWaalsContact C-N 3.32Å
379	T	77.1	Confident	71.4	Confident	72 Å²	72	80.4 Å²	80.4	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-82.2	-13.7	-177.9	59.3	0	0	0	0	112.9	L375	L375-T379 HydrophobicContact CD1-CG2 4Å; L375-T379 HydrophobicContact CG-CG2 4.34Å; L375-T379 PolarHBondContact O-N 3.18Å; L375-T379 PolarHBondContact O-OG1 3.09Å; L375-T379 VanDerWaalsContact O-OG1 3.1Å
380	G	64.8	Low	70.7	Confident	33 Å²	33	80.7 Å²	80.7	34%	0.34	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	63.1	178.9	-165.6	0	0	0	0	0	112.1	H376 W378 A382	H376-G380 WeakPolarHBondContact O-CA 3.36Å; H376-G380 PolarHBondContact O-N 2.91Å; H376-G380 VanDerWaalsContact O-N 3.1Å; W378-G380 VanDerWaalsContact C-N 3.32Å; G380-A382 PolarHBondContact O-N 3.38Å
381	S	56.4	Low	70.1	Confident	43 Å²	43	81.4 Å²	81.4	30%	0.301	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-70	9.8	175.3	-49.4	0	0	0	0	113.6	F386	S381-F386 WeakPolarHBondContact O-CE2 3.4Å; S381-F386 VanDerWaalsContact O-CZ 3.27Å; S381-F386 WeakPolarHBondContact O-CZ 3.3Å
382	A	42.8	Very low	69.6	Low	98 Å²	98	79.8 Å²	79.8	81%	0.81	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-95.2	-1.5	-176.3	0	0	0	0	0	114.1	G380	G380-A382 PolarHBondContact O-N 3.38Å
383	G	40.6	Very low	69.3	Low	61 Å²	61	86.8 Å²	86.8	63%	0.629	48%	0.483	S	S	*	.	S	Bend	trans	-113.7	6.4	-168	0	0	0	0	0	117.9
384	G	46	Very low	68.9	Low	33 Å²	33	86 Å²	86	34%	0.34	48%	0.48	S	S	.	.	S	Bend	trans	-109.4	142.3	-179.3	0	0	0	0	0	112.4	F386	G384-F386 VanDerWaalsContact C-N 3.29Å; G384-F386 WeakPolarHBondContact O-CD2 3.33Å; G384-F386 VanDerWaalsContact O-CE2 3.23Å; G384-F386 WeakPolarHBondContact O-CE2 3.49Å; G384-F386 PolarHBondContact O-N 3.44Å
385	H	45.1	Very low	68.6	Low	175 Å²	175	82.3 Å²	82.3	81%	0.81	46%	0.463	S	S	*	.			trans	-62.7	91.5	164.3	-82.9	-74.1	0	0	0	109.3	G387	H385-G387 PolarHBondContact O-N 2.98Å; H385-G387 VanDerWaalsContact O-N 3.1Å
386	F	51.8	Low	68.1	Low	107 Å²	107	82.8 Å²	82.8	47%	0.469	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	89.2	175.4	-63.5	-75.4	0	0	0	108.8	P220 S381 G384	P220-F386 HydrophobicContact CB-CD1 4.34Å; P220-F386 HydrophobicContact CB-CE1 3.61Å; P220-F386 HydrophobicContact CB-CZ 4.26Å; P220-F386 HydrophobicContact CG-CD1 3.8Å; P220-F386 HydrophobicContact CG-CE1 3.49Å; P220-F386 VanDerWaalsContact CG-CE1 3.49Å; S381-F386 WeakPolarHBondContact O-CE2 3.4Å; S381-F386 VanDerWaalsContact O-CZ 3.27Å; S381-F386 WeakPolarHBondContact O-CZ 3.3Å; G384-F386 VanDerWaalsContact C-N 3.29Å; G384-F386 WeakPolarHBondContact O-CD2 3.33Å; G384-F386 VanDerWaalsContact O-CE2 3.23Å; G384-F386 WeakPolarHBondContact O-CE2 3.49Å; G384-F386 PolarHBondContact O-N 3.44Å
387	G	49.6	Very low	67.8	Low	63 Å²	63	85 Å²	85	65%	0.649	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.2	-14.9	179.3	0	0	0	0	0	115.4	H385 T389	H385-G387 PolarHBondContact O-N 2.98Å; H385-G387 VanDerWaalsContact O-N 3.1Å; G387-T389 PolarHBondContact O-N 3.43Å
388	D	60.1	Low	67.8	Low	127 Å²	127	78.6 Å²	78.6	68%	0.679	45%	0.453	S	S	*	.			trans	-71.3	123.7	-177.9	-72.7	-12	0	0	0	110.9
389	T	77.3	Confident	67.6	Low	108 Å²	108	69.8 Å²	69.8	66%	0.663	42%	0.42	S	S	*	.			trans	-80.6	138	171.7	43.9	0	0	0	0	109	R247 G387	R247-T389 CarbonylContact O-C 3.57Å; R247-T389 VanDerWaalsContact O-CA 3.25Å; R247-T389 WeakPolarHBondContact O-CA 3.25Å; G387-T389 PolarHBondContact O-N 3.43Å
390	G	79.3	Confident	67.4	Low	27 Å²	27	72.8 Å²	72.8	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	103.4	-162.7	-179.9	0	0	0	0	0	114.6	D246 R247	D246-G390 WeakPolarHBondContact CA-O 3.18Å; R247-G390 PolarHBondContact N-O 3.44Å; R247-G390 PolarHBondContact O-N 2.92Å
391	V	80.8	Confident	67.7	Low	47 Å²	47	74.1 Å²	74.1	29%	0.285	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.5	-170.7	-177.4	0	0	0	0	111.1	K194 D246 W393 Q396	K194-V391 WeakPolarHBondContact O-CG2 3.4Å; D246-V391 HydrophobicContact CB-CG2 4.45Å; D246-V391 PolarHBondContact OD1-N 3.25Å; V391-W393 PolarHBondContact O-N 3.2Å; V391-Q396 HydrophobicContact CB-CG 4.2Å; V391-Q396 HydrophobicContact CG1-CG 3.83Å; V391-Q396 PolarHBondContact O-NE2 2.91Å; V391-Q396 VanDerWaalsContact O-NE2 3.1Å
392	H	84.1	Confident	68.4	Low	37 Å²	37	72.5 Å²	72.5	17%	0.171	41%	0.412	C	S	.	.			trans	-58.7	134.5	177.8	-169.4	-84.1	0	0	0	111.6	L245 Y394 S395 Q396	L245-H392 WeakPolarHBondContact O-CB 3.23Å; L245-H392 PolarHBondContact O-N 3.08Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.16Å; H392-Y394 PolarHBondContact ND1-N 2.89Å; H392-Y394 PolarHBondContact O-N 2.84Å; H392-Y394 VanDerWaalsContact O-N 3.08Å; H392-S395 WeakPolarHBondContact O-CA 3.38Å; H392-S395 VanDerWaalsContact O-CB 3.26Å; H392-S395 WeakPolarHBondContact O-CB 3.42Å; H392-S395 PolarHBondContact O-N 2.97Å; H392-Q396 PolarHBondContact O-N 3.24Å; H392-Q396 VanDerWaalsContact O-N 3.17Å
393	W	82.3	Confident	69.5	Low	151 Å²	151	70.3 Å²	70.3	57%	0.572	39%	0.391	S	S	*	.	H	α-helix	trans	-52.1	-38.4	-175.8	70.3	-93	0	0	0	113.3	V391 S395 Q396 L397	V391-W393 PolarHBondContact O-N 3.2Å; W393-S395 VanDerWaalsContact C-N 3.32Å; W393-S395 PolarHBondContact O-N 3.2Å; W393-Q396 WeakPolarHBondContact O-CB 3.38Å; W393-Q396 PolarHBondContact O-N 3.46Å; W393-L397 HydrophobicContact CZ3-CD2 4.15Å; W393-L397 PolarHBondContact O-N 3.14Å
394	Y	84.4	Confident	70.9	Confident	27 Å²	27	72.9 Å²	72.9	11%	0.106	39%	0.39	C	S	.	.	H	α-helix	trans	-66.7	-35.8	179.3	-168.1	-102.3	0	0	0	112	A368 F369 P371 L372 H392 L397 L398	A368-Y394 PolarHBondContact O-OH 2.87Å; F369-Y394 AromaticContact CD1-CD1 3.75Å; F369-Y394 HydrophobicContact CD1-CD1 3.75Å; F369-Y394 AromaticContact CD1-CE1 3.94Å; F369-Y394 HydrophobicContact CD1-CE1 3.94Å; F369-Y394 AromaticContact CE1-CD1 3.8Å; F369-Y394 HydrophobicContact CE1-CD1 3.8Å; F369-Y394 HydrophobicContact CE1-CE1 4.34Å; P371-Y394 WeakPolarHBondContact CB-OH 3.48Å; P371-Y394 WeakPolarHBondContact CG-OH 3.47Å; L372-Y394 HydrophobicContact CB-CD1 3.75Å; L372-Y394 HydrophobicContact CB-CE1 3.78Å; L372-Y394 HydrophobicContact CB-CG 4.23Å; L372-Y394 HydrophobicContact CD1-CG 4.43Å; L372-Y394 HydrophobicContact CD2-CD1 3.85Å; L372-Y394 HydrophobicContact CD2-CG 4.23Å; L372-Y394 HydrophobicContact CG-CD1 4.29Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.16Å; H392-Y394 PolarHBondContact ND1-N 2.89Å; H392-Y394 PolarHBondContact O-N 2.84Å; H392-Y394 VanDerWaalsContact O-N 3.08Å; Y394-L397 PolarHBondContact O-N 3.34Å; Y394-L398 HydrophobicContact CD1-CD1 3.81Å; Y394-L398 HydrophobicContact CD1-CG 4.05Å; Y394-L398 HydrophobicContact CE1-CD1 3.46Å; Y394-L398 VanDerWaalsContact CE1-CD1 3.46Å; Y394-L398 HydrophobicContact CE1-CD2 4.2Å; Y394-L398 HydrophobicContact CE1-CG 3.75Å; Y394-L398 WeakPolarHBondContact O-CB 3.49Å; Y394-L398 WeakPolarHBondContact O-CG 3.22Å; Y394-L398 PolarHBondContact O-N 3.44Å
395	S	83.8	Confident	72.1	Confident	18 Å²	18	77.8 Å²	77.8	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-40.9	173.6	-53.1	0	0	0	0	110.8	H392 W393 L398 Y399	H392-S395 WeakPolarHBondContact O-CA 3.38Å; H392-S395 VanDerWaalsContact O-CB 3.26Å; H392-S395 WeakPolarHBondContact O-CB 3.42Å; H392-S395 PolarHBondContact O-N 2.97Å; W393-S395 VanDerWaalsContact C-N 3.32Å; W393-S395 PolarHBondContact O-N 3.2Å; S395-L398 PolarHBondContact O-N 3.24Å; S395-Y399 WeakPolarHBondContact O-CB 3.48Å; S395-Y399 PolarHBondContact O-N 3.02Å
396	Q	78.4	Confident	73.3	Confident	98 Å²	98	72.1 Å²	72.1	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	-60.3	179.1	-0.4	0	0	111.5	V391 H392 W393 Y399 W400	V391-Q396 HydrophobicContact CB-CG 4.2Å; V391-Q396 HydrophobicContact CG1-CG 3.83Å; V391-Q396 PolarHBondContact O-NE2 2.91Å; V391-Q396 VanDerWaalsContact O-NE2 3.1Å; H392-Q396 PolarHBondContact O-N 3.24Å; H392-Q396 VanDerWaalsContact O-N 3.17Å; W393-Q396 WeakPolarHBondContact O-CB 3.38Å; W393-Q396 PolarHBondContact O-N 3.46Å; Q396-Y399 WeakPolarHBondContact O-CB 3.44Å; Q396-Y399 PolarHBondContact O-N 3.28Å; Q396-W400 PolarHBondContact O-N 2.82Å
397	L	78.3	Confident	73.9	Confident	69 Å²	69	73.1 Å²	73.1	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-61.6	-48	175.7	177.3	65	0	0	0	111.7	W393 Y394 Y399 W400 I401	W393-L397 HydrophobicContact CZ3-CD2 4.15Å; W393-L397 PolarHBondContact O-N 3.14Å; Y394-L397 PolarHBondContact O-N 3.34Å; L397-Y399 VanDerWaalsContact C-N 3.26Å; L397-Y399 PolarHBondContact O-N 3.13Å; L397-W400 HydrophobicContact CD1-CE3 4.2Å; L397-W400 PolarHBondContact O-N 3.09Å; L397-I401 HydrophobicContact CD1-CD1 4.03Å; L397-I401 HydrophobicContact CD1-CG1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.28Å; L397-I401 PolarHBondContact O-N 2.84Å
398	L	82.7	Confident	74.5	Confident	36 Å²	36	74.4 Å²	74.4	19%	0.188	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-36.2	178.3	-76.8	-175.4	0	0	0	112.2	A368 F369 Y394 S395 I401 G402	A368-L398 HydrophobicContact CB-CD1 3.9Å; A368-L398 HydrophobicContact CB-CD2 4.12Å; F369-L398 HydrophobicContact CD1-CD1 4Å; F369-L398 HydrophobicContact CD2-CD1 3.92Å; F369-L398 HydrophobicContact CE1-CD1 3.85Å; F369-L398 HydrophobicContact CE2-CD1 3.75Å; F369-L398 HydrophobicContact CG-CD1 4.04Å; F369-L398 HydrophobicContact CZ-CD1 3.72Å; Y394-L398 HydrophobicContact CD1-CD1 3.81Å; Y394-L398 HydrophobicContact CD1-CG 4.05Å; Y394-L398 HydrophobicContact CE1-CD1 3.46Å; Y394-L398 VanDerWaalsContact CE1-CD1 3.46Å; Y394-L398 HydrophobicContact CE1-CD2 4.2Å; Y394-L398 HydrophobicContact CE1-CG 3.75Å; Y394-L398 WeakPolarHBondContact O-CB 3.49Å; Y394-L398 WeakPolarHBondContact O-CG 3.22Å; Y394-L398 PolarHBondContact O-N 3.44Å; S395-L398 PolarHBondContact O-N 3.24Å; L398-I401 PolarHBondContact O-N 2.86Å; L398-G402 WeakPolarHBondContact O-CA 3.31Å; L398-G402 PolarHBondContact O-N 3Å
399	Y	73.7	Confident	74.3	Confident	36 Å²	36	71.4 Å²	71.4	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-47.3	174.8	-170.8	-90.1	0	0	0	111.6	V358 S395 Q396 L397 G402 S403 G415 L416 A417 P419	V358-Y399 HydrophobicContact CG1-CD2 4.21Å; V358-Y399 HydrophobicContact CG1-CE2 3.81Å; S395-Y399 WeakPolarHBondContact O-CB 3.48Å; S395-Y399 PolarHBondContact O-N 3.02Å; Q396-Y399 WeakPolarHBondContact O-CB 3.44Å; Q396-Y399 PolarHBondContact O-N 3.28Å; L397-Y399 VanDerWaalsContact C-N 3.26Å; L397-Y399 PolarHBondContact O-N 3.13Å; Y399-G402 PolarHBondContact O-N 3.2Å; Y399-S403 PolarHBondContact O-N 3.18Å; Y399-S403 PolarHBondContact O-OG 3.13Å; Y399-G415 WeakPolarHBondContact CE2-O 3.45Å; Y399-G415 PolarHBondContact OH-O 3.38Å; Y399-L416 WeakPolarHBondContact OH-CA 3.32Å; Y399-L416 PolarHBondContact OH-N 3.27Å; Y399-A417 WeakPolarHBondContact CE1-O 3.28Å; Y399-A417 PolarHBondContact OH-N 3.18Å; Y399-A417 PolarHBondContact OH-O 3.23Å; Y399-P419 HydrophobicContact CD1-CG 3.67Å; Y399-P419 HydrophobicContact CE1-CG 4Å
400	W	72.1	Confident	73.9	Confident	135 Å²	135	68.8 Å²	68.8	51%	0.511	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-43.2	176.2	177.5	79.7	0	0	0	112.7	Q396 L397 S403 L404	Q396-W400 PolarHBondContact O-N 2.82Å; L397-W400 HydrophobicContact CD1-CE3 4.2Å; L397-W400 PolarHBondContact O-N 3.09Å; W400-S403 PolarHBondContact O-OG 3.48Å; W400-L404 HydrophobicContact CD2-CD1 4.15Å; W400-L404 HydrophobicContact CE3-CD1 4.37Å; W400-L404 HydrophobicContact CH2-CD1 3.86Å; W400-L404 HydrophobicContact CZ2-CD1 3.62Å; W400-L404 HydrophobicContact CZ3-CD1 4.24Å; W400-L404 WeakPolarHBondContact O-CG 3.43Å
401	I	72.9	Confident	73.4	Confident	60 Å²	60	68 Å²	68	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-43.2	175.6	-66.5	174.1	0	0	0	110.6	L397 L398 S403 L404 L405	L397-I401 HydrophobicContact CD1-CD1 4.03Å; L397-I401 HydrophobicContact CD1-CG1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.28Å; L397-I401 PolarHBondContact O-N 2.84Å; L398-I401 PolarHBondContact O-N 2.86Å; I401-S403 PolarHBondContact O-N 3.27Å; I401-L404 PolarHBondContact O-N 3.41Å; I401-L405 HydrophobicContact CG2-CD1 3.55Å; I401-L405 HydrophobicContact CG2-CG 4.25Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.3Å; I401-L405 VanDerWaalsContact O-N 3.12Å
402	G	69.4	Low	72.6	Confident	10 Å²	10	66 Å²	66	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44	-178.9	0	0	0	0	0	112.3	L398 Y399 L404 L405 L406 F411	L398-G402 WeakPolarHBondContact O-CA 3.31Å; L398-G402 PolarHBondContact O-N 3Å; Y399-G402 PolarHBondContact O-N 3.2Å; G402-L404 PolarHBondContact O-N 3.09Å; G402-L405 PolarHBondContact O-N 3.41Å; G402-L406 WeakPolarHBondContact O-CB 3.5Å; G402-L406 PolarHBondContact O-N 3.45Å; G402-F411 VanDerWaalsContact C-CZ 3.4Å; G402-F411 WeakPolarHBondContact O-CZ 3.46Å
403	S	66.5	Low	71.3	Confident	52 Å²	52	69 Å²	69	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-22	178.7	67.1	0	0	0	0	113.3	Y399 W400 I401	Y399-S403 PolarHBondContact O-N 3.18Å; Y399-S403 PolarHBondContact O-OG 3.13Å; W400-S403 PolarHBondContact O-OG 3.48Å; I401-S403 PolarHBondContact O-N 3.27Å
404	L	70.3	Confident	70	Confident	114 Å²	114	64.8 Å²	64.8	60%	0.597	36%	0.355	S	S	*	.	H	α-helix	trans	-85.7	-32.4	175	-65.3	172.9	0	0	0	113.5	W400 I401 G402	W400-L404 HydrophobicContact CD2-CD1 4.15Å; W400-L404 HydrophobicContact CE3-CD1 4.37Å; W400-L404 HydrophobicContact CH2-CD1 3.86Å; W400-L404 HydrophobicContact CZ2-CD1 3.62Å; W400-L404 HydrophobicContact CZ3-CD1 4.24Å; W400-L404 WeakPolarHBondContact O-CG 3.43Å; I401-L404 PolarHBondContact O-N 3.41Å; G402-L404 PolarHBondContact O-N 3.09Å
405	L	72.1	Confident	68.2	Low	136 Å²	136	63.6 Å²	63.6	71%	0.712	35%	0.35	S	S	*	.	H	α-helix	trans	-107.2	-28.1	-167.8	-65.4	-178.6	0	0	0	115	I401 G402	I401-L405 HydrophobicContact CG2-CD1 3.55Å; I401-L405 HydrophobicContact CG2-CG 4.25Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.3Å; I401-L405 VanDerWaalsContact O-N 3.12Å; G402-L405 PolarHBondContact O-N 3.41Å
406	L	69.8	Low	66.4	Low	56 Å²	56	66 Å²	66	29%	0.293	36%	0.361	S	S	.	.	S	Bend	trans	-104.5	143.9	-174	-64.5	174.7	0	0	0	111.1	L364 G402 F411	L364-L406 HydrophobicContact CD2-CD1 3.82Å; L364-L406 HydrophobicContact CD2-CD2 4.27Å; G402-L406 WeakPolarHBondContact O-CB 3.5Å; G402-L406 PolarHBondContact O-N 3.45Å; L406-F411 HydrophobicContact CB-CE2 3.63Å; L406-F411 HydrophobicContact CB-CZ 3.95Å; L406-F411 HydrophobicContact CD1-CE2 4.39Å; L406-F411 HydrophobicContact CD1-CZ 3.95Å
407	D	64.8	Low	64.7	Low	129 Å²	129	62.1 Å²	62.1	69%	0.69	35%	0.346	S	S	*	.			trans	-59.5	140.5	171.4	-79.3	-28.1	0	0	0	110.4	G409 H410	D407-G409 PolarHBondContact O-N 3.06Å; D407-H410 PolarHBondContact O-N 3.49Å
408	S	60.4	Low	62.8	Low	89 Å²	89	62.9 Å²	62.9	62%	0.622	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-52.6	-24	178.8	53.3	0	0	0	0	114.3	H410 F411	S408-H410 VanDerWaalsContact C-N 3.25Å; S408-H410 PolarHBondContact O-N 2.93Å; S408-F411 PolarHBondContact O-N 3.25Å
409	G	57.4	Low	60.4	Low	64 Å²	64	64.3 Å²	64.3	66%	0.66	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.9	176.8	0	0	0	0	0	115.4	D407	D407-G409 PolarHBondContact O-N 3.06Å
410	H	67.6	Low	58.4	Low	54 Å²	54	65.7 Å²	65.7	25%	0.25	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-84.4	-12.6	173.2	-78.7	-61.2	0	0	0	113.5	Y296 V359 D360 D407 S408	Y296-H410 PolarHBondContact OH-O 3.42Å; V359-H410 CarbonylContact C-O 3.51Å; V359-H410 VanDerWaalsContact CA-O 3.29Å; V359-H410 WeakPolarHBondContact CA-O 3.31Å; D360-H410 PolarHBondContact N-O 2.91Å; D360-H410 IonicContact OD1-CG 2.66Å; D360-H410 IonicContact OD1-ND1 3.25Å; D360-H410 PolarHBondContact OD1-ND1 3.36Å; D360-H410 IonicContact OD2-ND1 3.53Å; D360-H410 PolarHBondContact OD2-ND1 3.38Å; D407-H410 PolarHBondContact O-N 3.49Å; S408-H410 VanDerWaalsContact C-N 3.25Å; S408-H410 PolarHBondContact O-N 2.93Å
411	F	69.8	Low	56.3	Low	11 Å²	11	72.3 Å²	72.3	5%	0.048	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-99	148.5	178.4	-62.1	-84.7	0	0	0	110.1	V358 V359 G402 L406 S408 L416	V358-F411 HydrophobicContact CG1-CD1 3.7Å; V358-F411 HydrophobicContact CG1-CE1 4.49Å; V358-F411 CarbonylContact O-C 3.56Å; V358-F411 VanDerWaalsContact O-CA 3.29Å; V358-F411 WeakPolarHBondContact O-CA 3.4Å; V359-F411 HydrophobicContact CG2-CD1 4.07Å; V359-F411 HydrophobicContact CG2-CE1 3.82Å; G402-F411 VanDerWaalsContact C-CZ 3.4Å; G402-F411 WeakPolarHBondContact O-CZ 3.46Å; L406-F411 HydrophobicContact CB-CE2 3.63Å; L406-F411 HydrophobicContact CB-CZ 3.95Å; L406-F411 HydrophobicContact CD1-CE2 4.39Å; L406-F411 HydrophobicContact CD1-CZ 3.95Å; S408-F411 PolarHBondContact O-N 3.25Å; F411-L416 HydrophobicContact CB-CD1 3.97Å; F411-L416 HydrophobicContact CB-CD2 4.13Å; F411-L416 HydrophobicContact CB-CG 3.72Å; F411-L416 HydrophobicContact CD1-CD2 4.28Å; F411-L416 HydrophobicContact CD2-CD1 4.27Å; F411-L416 HydrophobicContact CD2-CD2 3.81Å; F411-L416 HydrophobicContact CD2-CG 4.24Å; F411-L416 HydrophobicContact CE2-CD2 4.27Å; F411-L416 HydrophobicContact CG-CD1 4.37Å; F411-L416 HydrophobicContact CG-CD2 3.8Å; F411-L416 HydrophobicContact CG-CG 3.99Å
412	H	64.8	Low	55.4	Low	4 Å²	4	72.9 Å²	72.9	2%	0.019	42%	0.417	C	S	.	.			trans	-56.9	139	169.2	-172	-93.7	0	0	0	107.4	A271 Y296 S298 V358 W414 G415	A271-H412 HydrophobicContact CB-CB 3.59Å; A271-H412 VanDerWaalsContact CB-CG 3.4Å; Y296-H412 HydrophobicContact CD1-CB 4.26Å; Y296-H412 AromaticContact CD1-CD2 3.71Å; Y296-H412 AromaticContact CD2-CD2 3.53Å; Y296-H412 HydrophobicContact CE1-CB 3.77Å; Y296-H412 HydrophobicContact CE2-CB 4.19Å; Y296-H412 AromaticContact CE2-CD2 3.89Å; Y296-H412 AromaticContact CG-CD2 3.4Å; Y296-H412 PolarHBondContact OH-N 3.23Å; S298-H412 PolarHBondContact OG-NE2 3.23Å; V358-H412 PolarHBondContact O-N 3.35Å; H412-W414 AromaticContact CE1-CD2 3.34Å; H412-W414 AromaticContact CE1-CE3 3.31Å; H412-W414 AromaticContact CE1-CG 3.62Å; H412-W414 WeakPolarHBondContact ND1-CB 3.34Å; H412-W414 AromaticContact ND1-CD2 3.86Å; H412-W414 AromaticContact ND1-CE3 3.99Å; H412-W414 AromaticContact ND1-CG 3.64Å; H412-W414 PolarHBondContact ND1-N 3.33Å; H412-W414 PolarHBondContact O-N 2.94Å; H412-G415 PolarHBondContact O-N 2.91Å
413	P	56	Low	54.7	Low	101 Å²	101	76.2 Å²	76.2	66%	0.656	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-19.9	-178.7	-29.7	35.3	0	0	0	114.7
414	W	55.9	Low	54.1	Low	62 Å²	62	77.6 Å²	77.6	24%	0.235	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16	178.7	-52.7	-23.5	0	0	0	114.5	A192 A270 H412 L416	A192-W414 CarbonylContact C-O 3.51Å; A192-W414 HydrophobicContact CB-CB 3.11Å; A192-W414 HydrophobicContact CB-CD2 3.67Å; A192-W414 HydrophobicContact CB-CE3 3.28Å; A192-W414 HydrophobicContact CB-CG 3.66Å; A192-W414 HydrophobicContact CB-CZ3 4.39Å; A192-W414 CarbonylContact O-C 3.53Å; A192-W414 VanDerWaalsContact O-C 3.29Å; A270-W414 HydrophobicContact CB-CE3 3.57Å; A270-W414 HydrophobicContact CB-CH2 4.37Å; A270-W414 HydrophobicContact CB-CZ3 3.22Å; H412-W414 AromaticContact CE1-CD2 3.34Å; H412-W414 AromaticContact CE1-CE3 3.31Å; H412-W414 AromaticContact CE1-CG 3.62Å; H412-W414 WeakPolarHBondContact ND1-CB 3.34Å; H412-W414 AromaticContact ND1-CD2 3.86Å; H412-W414 AromaticContact ND1-CE3 3.99Å; H412-W414 AromaticContact ND1-CG 3.64Å; H412-W414 PolarHBondContact ND1-N 3.33Å; H412-W414 PolarHBondContact O-N 2.94Å; W414-L416 VanDerWaalsContact C-N 3.27Å; W414-L416 PolarHBondContact O-N 3.07Å
415	G	45.1	Very low	53.1	Low	1 Å²	1	75.4 Å²	75.4	1%	0.01	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	30	-178.3	0	0	0	0	0	114.1	V358 Y399 H412	V358-G415 WeakPolarHBondContact CG1-O 3.45Å; Y399-G415 WeakPolarHBondContact CE2-O 3.45Å; Y399-G415 PolarHBondContact OH-O 3.38Å; H412-G415 PolarHBondContact O-N 2.91Å
416	L	45.9	Very low	51.9	Low	68 Å²	68	71.6 Å²	71.6	36%	0.356	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	23	171.4	-78.7	172.5	0	0	0	111.7	Y399 F411 W414 D418	Y399-L416 WeakPolarHBondContact OH-CA 3.32Å; Y399-L416 PolarHBondContact OH-N 3.27Å; F411-L416 HydrophobicContact CB-CD1 3.97Å; F411-L416 HydrophobicContact CB-CD2 4.13Å; F411-L416 HydrophobicContact CB-CG 3.72Å; F411-L416 HydrophobicContact CD1-CD2 4.28Å; F411-L416 HydrophobicContact CD2-CD1 4.27Å; F411-L416 HydrophobicContact CD2-CD2 3.81Å; F411-L416 HydrophobicContact CD2-CG 4.24Å; F411-L416 HydrophobicContact CE2-CD2 4.27Å; F411-L416 HydrophobicContact CG-CD1 4.37Å; F411-L416 HydrophobicContact CG-CD2 3.8Å; F411-L416 HydrophobicContact CG-CG 3.99Å; W414-L416 VanDerWaalsContact C-N 3.27Å; W414-L416 PolarHBondContact O-N 3.07Å; L416-D418 PolarHBondContact O-N 3.23Å
417	A	43.4	Very low	50.7	Low	18 Å²	18	72.7 Å²	72.7	15%	0.149	42%	0.419	C	S	.	.			trans	-73.9	122.7	167.7	0	0	0	0	0	109.4	A193 Y399	A193-A417 VanDerWaalsContact CA-CB 3.5Å; A193-A417 HydrophobicContact CB-CB 3.19Å; Y399-A417 WeakPolarHBondContact CE1-O 3.28Å; Y399-A417 PolarHBondContact OH-N 3.18Å; Y399-A417 PolarHBondContact OH-O 3.23Å
418	D	38.8	Very low	49.7	Very low	85 Å²	85	68.6 Å²	68.6	46%	0.455	40%	0.399	S	S	.	.			trans	-61.3	129.9	-171.9	-153.8	0.6	0	0	0	111.2	L416 G420	L416-D418 PolarHBondContact O-N 3.23Å; D418-G420 VanDerWaalsContact C-N 3.3Å; D418-G420 PolarHBondContact O-N 3.32Å; D418-G420 VanDerWaalsContact O-N 3.1Å
419	P	31.1	Very low	48.9	Very low	66 Å²	66	67.1 Å²	67.1	43%	0.429	38%	0.382	S	S	.	.	S	Bend	trans	-83.8	84.7	168.3	27.6	-11.4	0	0	0	107	Y399	Y399-P419 HydrophobicContact CD1-CG 3.67Å; Y399-P419 HydrophobicContact CE1-CG 4Å
420	G	32.4	Very low	48.2	Very low	65 Å²	65	67.3 Å²	67.3	67%	0.67	36%	0.359	S	S	*	.			trans	66	102.5	161.5	0	0	0	0	0	116.6	D418	D418-G420 VanDerWaalsContact C-N 3.3Å; D418-G420 PolarHBondContact O-N 3.32Å; D418-G420 VanDerWaalsContact O-N 3.1Å
421	R	27.6	Very low	46.4	Very low	273 Å²	273	68.5 Å²	68.5	100%	1.03	37%	0.369	S	S	*	.			trans	-119.2	0	139.1	-90.5	-169.8	176	-169	0.7	110.6

Retrieved 421 of 421 residues in 1089.7 ms (Link to these results)

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