A0A087Y601_POEFO Loading...

Malectin

AlphaFold DB , UniProt , Accession A0A087Y601, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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	54.5	Low	56.8	Low	222 Å²	222	119.1 Å²	119.1	100%	1.094	64%	0.644	S	S	*	*				0	-31.9	0	-75.5	174.4	171.4	0	0	113.8	R3	M1-R3 PolarHBondContact O-N 2.87Å
2	Q	52	Low	57.2	Low	173 Å²	173	119.3 Å²	119.3	81%	0.808	64%	0.644	S	S	*	*	H	α-helix	trans	-67.4	-23	-178.9	-86	167.6	-44.8	0	0	117.6	T5	Q2-T5 PolarHBondContact O-OG1 3.44Å
3	R	51.4	Low	57.3	Low	222 Å²	222	118.6 Å²	118.6	84%	0.838	64%	0.639	S	S	*	*	H	α-helix	trans	-76.9	-29.8	-178.5	-77.6	-174.9	174.5	179.3	-2.1	113.5	M1 Q7	M1-R3 PolarHBondContact O-N 2.87Å; R3-Q7 PolarHBondContact O-N 3.39Å
4	V	54.7	Low	57.4	Low	93 Å²	93	114.5 Å²	114.5	56%	0.564	63%	0.629	S	S	*	*	H	α-helix	trans	-73.5	-36.5	-178.9	-177.7	0	0	0	0	110.7	L8	V4-L8 HydrophobicContact CG1-CD1 4.17Å; V4-L8 PolarHBondContact O-N 3.19Å
5	T	56.7	Low	57.5	Low	88 Å²	88	110 Å²	110	54%	0.54	61%	0.613	S	S	.	*	H	α-helix	trans	-66.7	-35.7	176.8	43.1	0	0	0	0	112.7	Q2 V9	Q2-T5 PolarHBondContact O-OG1 3.44Å; T5-V9 WeakPolarHBondContact O-CG2 3.49Å; T5-V9 PolarHBondContact O-N 3.07Å; T5-V9 VanDerWaalsContact O-N 3.16Å
6	A	57.1	Low	57.4	Low	62 Å²	62	111.3 Å²	111.3	51%	0.512	62%	0.615	S	S	.	*	H	α-helix	trans	-70.6	-38.1	179	0	0	0	0	0	112.8	A10	A6-A10 WeakPolarHBondContact O-CB 3.43Å; A6-A10 PolarHBondContact O-N 3.4Å
7	Q	56.8	Low	57.3	Low	151 Å²	151	112.1 Å²	112.1	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-70	-36.6	177	-77.2	178.3	-39.8	0	0	112.3	R3 G11	R3-Q7 PolarHBondContact O-N 3.39Å; Q7-G11 PolarHBondContact O-N 3.16Å
8	L	57	Low	57.2	Low	111 Å²	111	108.8 Å²	108.8	58%	0.581	60%	0.604	S	S	*	*	H	α-helix	trans	-65.9	-41.8	174.7	-109	101.3	0	0	0	112.4	V4 G11 L12	V4-L8 HydrophobicContact CG1-CD1 4.17Å; V4-L8 PolarHBondContact O-N 3.19Å; L8-G11 PolarHBondContact O-N 2.98Å; L8-L12 PolarHBondContact O-N 3.42Å
9	V	61.2	Low	56.9	Low	88 Å²	88	108.2 Å²	108.2	53%	0.533	60%	0.599	S	S	.	*	H	α-helix	trans	-69.4	-39.4	-179.6	173.9	0	0	0	0	111.3	T5 L12 L13	T5-V9 WeakPolarHBondContact O-CG2 3.49Å; T5-V9 PolarHBondContact O-N 3.07Å; T5-V9 VanDerWaalsContact O-N 3.16Å; V9-L12 PolarHBondContact O-N 3.01Å; V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 PolarHBondContact O-N 2.96Å
10	A	61.5	Low	56.6	Low	59 Å²	59	108.9 Å²	108.9	49%	0.488	60%	0.6	S	S	.	*	H	α-helix	trans	-65.7	-38.7	174.1	0	0	0	0	0	112.3	A6 L13 A14	A6-A10 WeakPolarHBondContact O-CB 3.43Å; A6-A10 PolarHBondContact O-N 3.4Å; A10-L13 PolarHBondContact O-N 2.96Å; A10-A14 WeakPolarHBondContact O-CB 3.32Å; A10-A14 PolarHBondContact O-N 3.48Å
11	G	62.2	Low	56.2	Low	41 Å²	41	107.3 Å²	107.3	42%	0.423	60%	0.597	S	S	.	*	H	α-helix	trans	-65.5	-39.8	174.9	0	0	0	0	0	112.9	Q7 L8 A14 A15	Q7-G11 PolarHBondContact O-N 3.16Å; L8-G11 PolarHBondContact O-N 2.98Å; G11-A14 PolarHBondContact O-N 2.88Å; G11-A15 VanDerWaalsContact O-CB 3.31Å; G11-A15 WeakPolarHBondContact O-CB 3.31Å; G11-A15 PolarHBondContact O-N 3.43Å
12	L	61.1	Low	55.9	Low	122 Å²	122	103.1 Å²	103.1	64%	0.639	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-40.7	175.2	-111.1	114.1	0	0	0	112.4	L8 V9 A15 M16	L8-L12 PolarHBondContact O-N 3.42Å; V9-L12 PolarHBondContact O-N 3.01Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-M16 VanDerWaalsContact O-CB 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.35Å; L12-M16 PolarHBondContact O-N 3.5Å
13	L	58.7	Low	55.5	Low	110 Å²	110	101.8 Å²	101.8	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-40.4	175.6	-85.4	158.6	0	0	0	111.8	V9 A10 M16 L17	V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 PolarHBondContact O-N 2.96Å; A10-L13 PolarHBondContact O-N 2.96Å; L13-M16 PolarHBondContact O-N 2.9Å; L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 PolarHBondContact O-N 3.38Å
14	A	59.2	Low	55	Low	61 Å²	61	96.2 Å²	96.2	50%	0.504	56%	0.563	S	S	.	*	H	α-helix	trans	-66.5	-39.6	175.5	0	0	0	0	0	112.2	A10 G11 L17 S18	A10-A14 WeakPolarHBondContact O-CB 3.32Å; A10-A14 PolarHBondContact O-N 3.48Å; G11-A14 PolarHBondContact O-N 2.88Å; A14-L17 PolarHBondContact O-N 2.89Å; A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 2.94Å; A14-S18 PolarHBondContact O-OG 3Å
15	A	58.6	Low	54.3	Low	47 Å²	47	102.7 Å²	102.7	39%	0.388	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-32.3	175.1	0	0	0	0	0	112.6	G11 L12 S18 L19	G11-A15 VanDerWaalsContact O-CB 3.31Å; G11-A15 WeakPolarHBondContact O-CB 3.31Å; G11-A15 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 2.94Å; A15-S18 WeakPolarHBondContact CA-OG 3.44Å; A15-S18 PolarHBondContact O-OG 3.47Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 WeakPolarHBondContact O-CD1 3.43Å; A15-L19 PolarHBondContact O-N 3.01Å
16	M	56.3	Low	53.7	Low	130 Å²	130	103.1 Å²	103.1	64%	0.64	59%	0.589	S	S	*	*	H	α-helix	trans	-75.5	-34.4	175.3	-149	-178	-172.9	0	0	111.6	L12 L13 L20	L12-M16 VanDerWaalsContact O-CB 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.35Å; L12-M16 PolarHBondContact O-N 3.5Å; L13-M16 PolarHBondContact O-N 2.9Å; M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 WeakPolarHBondContact O-CD1 3.42Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.43Å; M16-L20 PolarHBondContact O-N 2.91Å
17	L	55.7	Low	53.2	Low	126 Å²	126	107.3 Å²	107.3	66%	0.66	60%	0.603	S	S	*	*	H	α-helix	trans	-69.7	-34.7	171.4	-131.2	80.1	0	0	0	112	L13 A14 S21	L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 PolarHBondContact O-N 3.38Å; A14-L17 PolarHBondContact O-N 2.89Å; L17-S21 WeakPolarHBondContact O-CB 3.46Å; L17-S21 PolarHBondContact O-N 3.44Å
18	S	55.3	Low	52.7	Low	53 Å²	53	103.8 Å²	103.8	37%	0.371	61%	0.608	S	S	.	*	H	α-helix	trans	-72.5	-39.1	174.2	74.2	0	0	0	0	111.7	A14 A15 S21 E22	A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 2.94Å; A14-S18 PolarHBondContact O-OG 3Å; A15-S18 WeakPolarHBondContact CA-OG 3.44Å; A15-S18 PolarHBondContact O-OG 3.47Å; S18-S21 WeakPolarHBondContact O-CB 3.48Å; S18-S21 PolarHBondContact O-N 3.33Å; S18-S21 VanDerWaalsContact O-N 3.17Å; S18-E22 WeakPolarHBondContact O-CB 3.44Å; S18-E22 WeakPolarHBondContact O-CG 3.48Å; S18-E22 PolarHBondContact O-N 2.87Å
19	L	50.4	Low	52.3	Low	97 Å²	97	102.1 Å²	102.1	51%	0.508	62%	0.617	S	S	.	*	H	α-helix	trans	-63.7	-39.6	171.6	-105.8	80.1	0	0	0	111.9	A15 S21 E22 Q23	A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 WeakPolarHBondContact O-CD1 3.43Å; A15-L19 PolarHBondContact O-N 3.01Å; L19-S21 VanDerWaalsContact C-N 3.26Å; L19-S21 PolarHBondContact O-N 3.18Å; L19-E22 PolarHBondContact O-N 2.95Å; L19-Q23 WeakPolarHBondContact O-CB 3.46Å; L19-Q23 PolarHBondContact O-N 3.3Å; L19-Q23 PolarHBondContact O-OE1 3.41Å
20	L	51.7	Low	52.4	Low	121 Å²	121	100.6 Å²	100.6	63%	0.634	62%	0.619	S	S	*	*	H	α-helix	trans	-67.9	-26.2	174.4	-76.4	163.9	0	0	0	112.8	M16	M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 WeakPolarHBondContact O-CD1 3.42Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.43Å; M16-L20 PolarHBondContact O-N 2.91Å
21	S	49	Very low	53	Low	76 Å²	76	101.4 Å²	101.4	53%	0.531	62%	0.619	S	S	.	*	H	α-helix	trans	-78.8	-32.8	172.8	-178.2	0	0	0	0	112.7	L17 S18 L19	L17-S21 WeakPolarHBondContact O-CB 3.46Å; L17-S21 PolarHBondContact O-N 3.44Å; S18-S21 WeakPolarHBondContact O-CB 3.48Å; S18-S21 PolarHBondContact O-N 3.33Å; S18-S21 VanDerWaalsContact O-N 3.17Å; L19-S21 VanDerWaalsContact C-N 3.26Å; L19-S21 PolarHBondContact O-N 3.18Å
22	E	47.3	Very low	54.2	Low	134 Å²	134	102.1 Å²	102.1	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-83.4	-20.3	179.4	-73.9	-176.9	149.7	0	0	112.7	S18 L19 C24 W25	S18-E22 WeakPolarHBondContact O-CB 3.44Å; S18-E22 WeakPolarHBondContact O-CG 3.48Å; S18-E22 PolarHBondContact O-N 2.87Å; L19-E22 PolarHBondContact O-N 2.95Å; E22-C24 PolarHBondContact O-N 3.43Å; E22-W25 PolarHBondContact O-N 3.17Å
23	Q	44	Very low	55.4	Low	146 Å²	146	97.5 Å²	97.5	68%	0.682	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-4.1	172.2	-118.6	72.5	47.1	0	0	114.4	L19	L19-Q23 WeakPolarHBondContact O-CB 3.46Å; L19-Q23 PolarHBondContact O-N 3.3Å; L19-Q23 PolarHBondContact O-OE1 3.41Å
24	C	41.3	Very low	56.9	Low	105 Å²	105	93.8 Å²	93.8	71%	0.709	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	3.4	174.8	-153.3	0	0	0	0	113	E22	E22-C24 PolarHBondContact O-N 3.43Å
25	W	39.5	Very low	58.5	Low	228 Å²	228	97.5 Å²	97.5	86%	0.864	59%	0.586	S	S	*	*			trans	-110.9	53.2	-178.4	-72.8	27.3	0	0	0	110.5	E22	E22-W25 PolarHBondContact O-N 3.17Å
26	A	43.6	Very low	60.2	Low	97 Å²	97	97.7 Å²	97.7	80%	0.802	58%	0.577	S	S	*	*			trans	-145.4	51.2	170.1	0	0	0	0	0	110.1
27	D	47.4	Very low	62.1	Low	150 Å²	150	92.8 Å²	92.8	80%	0.802	55%	0.554	S	S	*	*	S	Bend	trans	-131.7	138.9	152	-153.2	4.4	0	0	0	106.3	G29	D27-G29 PolarHBondContact O-N 3.11Å
28	G	46.4	Very low	64	Low	78 Å²	78	90.3 Å²	90.3	80%	0.804	54%	0.541	S	S	*	.			trans	-68.1	74.1	178.8	0	0	0	0	0	110	G30	G28-G30 VanDerWaalsContact C-N 3.26Å; G28-G30 PolarHBondContact O-N 2.98Å
29	G	47	Very low	66.1	Low	76 Å²	76	89.2 Å²	89.2	78%	0.784	53%	0.528	S	S	*	.			trans	-73.1	61	-156.6	0	0	0	0	0	115.7	D27	D27-G29 PolarHBondContact O-N 3.11Å
30	G	63.3	Low	68.3	Low	55 Å²	55	84.7 Å²	84.7	57%	0.567	51%	0.505	S	S	*	.	S	Bend	trans	-77.3	154.1	151.4	0	0	0	0	0	110.1	G28	G28-G30 VanDerWaalsContact C-N 3.26Å; G28-G30 PolarHBondContact O-N 2.98Å
31	P	75.4	Confident	70.6	Confident	76 Å²	76	79 Å²	79	49%	0.494	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-57.6	141.8	171.3	25	-32.8	0	0	0	110.2	E35 R36	P31-E35 WeakPolarHBondContact CA-OE2 3.48Å; P31-E35 HydrophobicContact CB-CB 4.01Å; P31-E35 VanDerWaalsContact CB-OE2 3.28Å; P31-E35 WeakPolarHBondContact CB-OE2 3.49Å; P31-R36 HydrophobicContact CB-CG 4.08Å; P31-R36 HydrophobicContact CG-CG 3.79Å
32	S	86.5	Confident	72.9	Confident	57 Å²	57	75.4 Å²	75.4	40%	0.399	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.7	158.6	177.3	67.9	0	0	0	0	110.8	A34 E35 R36	S32-A34 PolarHBondContact O-N 3.38Å; S32-E35 PolarHBondContact N-OE2 3.33Å; S32-E35 VanDerWaalsContact N-OE2 3.11Å; S32-E35 WeakPolarHBondContact O-CB 3.5Å; S32-E35 PolarHBondContact O-N 3.43Å; S32-E35 WeakPolarHBondContact OG-CG 3.28Å; S32-E35 PolarHBondContact OG-N 3.41Å; S32-R36 PolarHBondContact O-N 2.77Å
33	L	87.4	Confident	75.3	Confident	25 Å²	25	69 Å²	69	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-53.8	-44	178.4	-173.2	73.8	0	0	0	111.5	E35 R36 V37 H52 I54 M200 D206 P208	L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 3.07Å; L33-R36 PolarHBondContact O-N 2.75Å; L33-R36 VanDerWaalsContact O-N 3.08Å; L33-V37 PolarHBondContact O-N 3.03Å; L33-H52 HydrophobicContact CD2-CB 3.72Å; L33-I54 HydrophobicContact CD2-CD1 3.77Å; L33-I54 HydrophobicContact CD2-CG1 4.23Å; L33-I54 HydrophobicContact CG-CD1 4.24Å; L33-M200 HydrophobicContact CD1-CE 3.39Å; L33-M200 HydrophobicContact CD1-SD 3.85Å; L33-D206 WeakPolarHBondContact CD1-O 3.19Å; L33-P208 HydrophobicContact CD2-CG 3.26Å
34	A	90.1	Very high	77.8	Confident	31 Å²	31	62.8 Å²	62.8	26%	0.256	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-39.9	177	0	0	0	0	0	113.2	S32 R36 V37 G53	S32-A34 PolarHBondContact O-N 3.38Å; A34-R36 VanDerWaalsContact C-N 3.25Å; A34-R36 PolarHBondContact O-N 2.7Å; A34-V37 PolarHBondContact O-N 2.79Å; A34-G53 VanDerWaalsContact CB-O 3.23Å; A34-G53 WeakPolarHBondContact CB-O 3.34Å
35	E	92	Very high	80.5	Confident	139 Å²	139	58.1 Å²	58.1	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-68.9	-24.9	178.1	-74.1	169.1	-176.8	0	0	113.1	P31 S32 L33	P31-E35 WeakPolarHBondContact CA-OE2 3.48Å; P31-E35 HydrophobicContact CB-CB 4.01Å; P31-E35 VanDerWaalsContact CB-OE2 3.28Å; P31-E35 WeakPolarHBondContact CB-OE2 3.49Å; S32-E35 PolarHBondContact N-OE2 3.33Å; S32-E35 VanDerWaalsContact N-OE2 3.11Å; S32-E35 WeakPolarHBondContact O-CB 3.5Å; S32-E35 PolarHBondContact O-N 3.43Å; S32-E35 WeakPolarHBondContact OG-CG 3.28Å; S32-E35 PolarHBondContact OG-N 3.41Å; L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 3.07Å
36	R	93.9	Very high	83.2	Confident	52 Å²	52	52.2 Å²	52.2	20%	0.196	35%	0.35	C	S	.	.	H	α-helix	trans	-84.6	-16.8	178	-63.7	-169.4	-71.3	164.3	-10.5	113.2	P31 S32 L33 A34 I38 M200 K201 D206	P31-R36 HydrophobicContact CB-CG 4.08Å; P31-R36 HydrophobicContact CG-CG 3.79Å; S32-R36 PolarHBondContact O-N 2.77Å; L33-R36 PolarHBondContact O-N 2.75Å; L33-R36 VanDerWaalsContact O-N 3.08Å; A34-R36 VanDerWaalsContact C-N 3.25Å; A34-R36 PolarHBondContact O-N 2.7Å; R36-I38 PolarHBondContact O-N 3.31Å; R36-M200 HydrophobicContact CB-CE 4.49Å; R36-M200 CarbonylContact O-C 3.54Å; R36-M200 VanDerWaalsContact O-CA 3.31Å; R36-M200 WeakPolarHBondContact O-CA 3.41Å; R36-K201 PolarHBondContact O-N 3.34Å; R36-D206 IonicContact CZ-OD1 2.95Å; R36-D206 VanDerWaalsContact CZ-OD1 3.3Å; R36-D206 IonicContact CZ-OD2 2.71Å; R36-D206 IonicContact NH1-OD1 2.87Å; R36-D206 PolarHBondContact NH1-OD1 2.76Å; R36-D206 IonicContact NH1-OD2 3.3Å; R36-D206 PolarHBondContact NH1-OD2 3.36Å; R36-D206 IonicContact NH2-OD1 3.85Å; R36-D206 PolarHBondContact NH2-OD1 3.05Å
37	V	96.4	Very high	85.8	Confident	27 Å²	27	51 Å²	51	16%	0.164	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.3	175.3	176.2	0	0	0	0	109.6	L33 A34 A40 I54 Y198 M200	L33-V37 PolarHBondContact O-N 3.03Å; A34-V37 PolarHBondContact O-N 2.79Å; V37-A40 HydrophobicContact CG1-CB 3.99Å; V37-I54 HydrophobicContact CB-CG2 4.31Å; V37-I54 HydrophobicContact CG1-CG2 3.96Å; V37-I54 HydrophobicContact CG2-CB 4.48Å; V37-I54 HydrophobicContact CG2-CD1 3.81Å; V37-I54 HydrophobicContact CG2-CG1 3.88Å; V37-I54 HydrophobicContact CG2-CG2 3.92Å; V37-Y198 HydrophobicContact CG2-CD2 4.13Å; V37-M200 HydrophobicContact CG2-CB 3.97Å
38	I	96.6	Very high	88.2	Confident	74 Å²	74	45.9 Å²	45.9	38%	0.379	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-24	178.4	60.6	166.5	0	0	0	112.2	R36 I104 Y110 V199	R36-I38 PolarHBondContact O-N 3.31Å; I38-I104 HydrophobicContact CD1-CB 4.35Å; I38-I104 HydrophobicContact CD1-CD1 4.06Å; I38-I104 HydrophobicContact CD1-CG1 3.75Å; I38-I104 HydrophobicContact CD1-CG2 4.02Å; I38-Y110 HydrophobicContact CD1-CD1 4.11Å; I38-Y110 HydrophobicContact CD1-CE1 3.77Å; I38-Y110 HydrophobicContact CG2-CE1 4.49Å; I38-V199 HydrophobicContact CD1-CB 4.36Å; I38-V199 HydrophobicContact CD1-CG1 3.79Å; I38-V199 HydrophobicContact CG1-CB 4.02Å; I38-V199 HydrophobicContact CG1-CG1 3.86Å; I38-V199 WeakPolarHBondContact CG1-O 3.43Å; I38-V199 PolarHBondContact N-O 2.78Å
39	W	97.8	Very high	90.7	Very high	29 Å²	29	45.8 Å²	45.8	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	135.3	-175.8	-171.2	94.5	0	0	0	111	V41 Y100 V102 L197 Y198 V199	W39-V41 HydrophobicContact CD2-CG2 4.39Å; W39-V41 HydrophobicContact CH2-CB 3.76Å; W39-V41 HydrophobicContact CH2-CG2 3.41Å; W39-V41 VanDerWaalsContact CH2-CG2 3.41Å; W39-V41 HydrophobicContact CZ2-CB 4.13Å; W39-V41 HydrophobicContact CZ2-CG2 3.24Å; W39-V41 HydrophobicContact CZ3-CB 4.21Å; W39-V41 HydrophobicContact CZ3-CG2 4.09Å; W39-Y100 AromaticContact CH2-CD1 3.89Å; W39-Y100 HydrophobicContact CH2-CD1 3.89Å; W39-Y100 AromaticContact CH2-CG 3.92Å; W39-Y100 HydrophobicContact CH2-CG 3.92Å; W39-Y100 HydrophobicContact CZ2-CD1 4.29Å; W39-V102 HydrophobicContact CB-CG1 3.57Å; W39-V102 HydrophobicContact CD2-CB 4.35Å; W39-V102 HydrophobicContact CD2-CG1 3.93Å; W39-V102 HydrophobicContact CD2-CG2 3.74Å; W39-V102 HydrophobicContact CE3-CB 4.49Å; W39-V102 HydrophobicContact CE3-CG1 4.22Å; W39-V102 HydrophobicContact CE3-CG2 3.52Å; W39-V102 HydrophobicContact CG-CB 4.49Å; W39-V102 HydrophobicContact CG-CG1 3.65Å; W39-V102 HydrophobicContact CG-CG2 4.37Å; W39-V102 HydrophobicContact CH2-CG2 4.05Å; W39-V102 HydrophobicContact CZ2-CG2 4.23Å; W39-V102 HydrophobicContact CZ3-CG2 3.67Å; W39-L197 HydrophobicContact CH2-CD1 4.02Å; W39-L197 HydrophobicContact CH2-CG 4.16Å; W39-L197 HydrophobicContact CZ3-CD1 3.61Å; W39-L197 HydrophobicContact CZ3-CG 3.68Å; W39-Y198 CarbonylContact O-C 3.57Å; W39-Y198 WeakPolarHBondContact O-CA 3.32Å; W39-Y198 WeakPolarHBondContact O-CB 3.16Å; W39-V199 PolarHBondContact N-O 3.32Å; W39-V199 PolarHBondContact O-N 3.39Å
40	A	98.2	Very high	93	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.5	178.6	0	0	0	0	0	110.8	V37 I54 F56 K57 L197	V37-A40 HydrophobicContact CG1-CB 3.99Å; A40-I54 HydrophobicContact CB-CG2 3.89Å; A40-F56 HydrophobicContact CB-CD1 3.86Å; A40-F56 HydrophobicContact CB-CE1 4.13Å; A40-F56 HydrophobicContact CB-CG 4.12Å; A40-K57 PolarHBondContact O-N 3.25Å; A40-L197 WeakPolarHBondContact CA-O 3.38Å
41	V	98.4	Very high	94.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.3	-178.9	166.2	0	0	0	0	110.9	W39 K57 P60 Y100 A196 L197	W39-V41 HydrophobicContact CD2-CG2 4.39Å; W39-V41 HydrophobicContact CH2-CB 3.76Å; W39-V41 HydrophobicContact CH2-CG2 3.41Å; W39-V41 VanDerWaalsContact CH2-CG2 3.41Å; W39-V41 HydrophobicContact CZ2-CB 4.13Å; W39-V41 HydrophobicContact CZ2-CG2 3.24Å; W39-V41 HydrophobicContact CZ3-CB 4.21Å; W39-V41 HydrophobicContact CZ3-CG2 4.09Å; V41-K57 WeakPolarHBondContact CA-O 3.05Å; V41-P60 HydrophobicContact CG2-CG 4.34Å; V41-Y100 HydrophobicContact CG1-CE1 4.1Å; V41-A196 WeakPolarHBondContact O-CA 3.41Å; V41-L197 HydrophobicContact CB-CD2 4.48Å; V41-L197 PolarHBondContact N-O 3.41Å; V41-L197 PolarHBondContact O-N 3.24Å
42	N	98.4	Very high	95.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.5	165.6	-176	18.1	0	0	0	108.5	D46 F56 K57 D59 L87 T90 C195	N42-D46 WeakPolarHBondContact CB-O 3.2Å; N42-D46 PolarHBondContact ND2-O 3.49Å; N42-F56 HydrophobicContact CB-CB 4.16Å; N42-K57 PolarHBondContact N-O 2.82Å; N42-D59 WeakPolarHBondContact O-CB 3.4Å; N42-L87 HydrophobicContact CB-CD2 4.12Å; N42-T90 PolarHBondContact ND2-OG1 3.27Å; N42-T90 PolarHBondContact OD1-OG1 3.08Å; N42-C195 PolarHBondContact OD1-O 3.26Å
43	A	98.3	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	128.8	-174.2	0	0	0	0	0	110.6	G45 D59 T90 E91 R92 Y100 V194 C195	A43-G45 PolarHBondContact O-N 2.95Å; A43-D59 WeakPolarHBondContact CA-OD2 3.42Å; A43-T90 CarbonylContact O-C 3.55Å; A43-E91 CarbonylContact O-C 3.54Å; A43-E91 VanDerWaalsContact O-CA 3.31Å; A43-E91 WeakPolarHBondContact O-CA 3.41Å; A43-E91 PolarHBondContact O-N 2.83Å; A43-R92 HydrophobicContact CB-CB 4.02Å; A43-Y100 VanDerWaalsContact CB-OH 3.28Å; A43-Y100 WeakPolarHBondContact CB-OH 3.24Å; A43-V194 HydrophobicContact CB-CG1 3.85Å; A43-V194 WeakPolarHBondContact CB-O 3.38Å; A43-C195 WeakPolarHBondContact CA-O 3.23Å; A43-C195 VanDerWaalsContact CB-O 3.29Å; A43-C195 WeakPolarHBondContact CB-O 3.18Å; A43-C195 PolarHBondContact N-O 2.95Å
44	G	96.6	Very high	96.2	Very high	14 Å²	14	42 Å²	42	14%	0.144	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	1.3	-176	0	0	0	0	0	115	D59 E91	G44-D59 PolarHBondContact N-OD2 3.36Å; G44-E91 WeakPolarHBondContact CA-O 3.4Å
45	G	96.3	Very high	96.5	Very high	8 Å²	8	45.5 Å²	45.5	8%	0.082	25%	0.249	C	C	.	.	S	Bend	trans	-126.8	177.6	-177.5	0	0	0	0	0	114.4	A43 D59	A43-G45 PolarHBondContact O-N 2.95Å; G45-D59 PolarHBondContact O-N 2.93Å
46	D	97.7	Very high	96.8	Very high	103 Å²	103	38.9 Å²	38.9	55%	0.551	22%	0.218	S	C	*	.			trans	-79.3	172.5	172.4	-76.6	-43.9	0	0	0	111.8	N42 K58	N42-D46 WeakPolarHBondContact CB-O 3.2Å; N42-D46 PolarHBondContact ND2-O 3.49Å; D46-K58 WeakPolarHBondContact OD1-CD 3.35Å; D46-K58 IonicContact OD1-NZ 2.74Å; D46-K58 PolarHBondContact OD1-NZ 2.83Å
47	S	97.9	Very high	97	Very high	72 Å²	72	41.5 Å²	41.5	50%	0.503	23%	0.231	S	C	.	.			trans	-62.2	142.8	176.9	54.7	0	0	0	0	112.2	F56	S47-F56 CarbonylContact C-O 3.58Å; S47-F56 WeakPolarHBondContact CA-O 3.31Å; S47-F56 WeakPolarHBondContact CB-O 2.97Å
48	H	97.9	Very high	97.1	Very high	42 Å²	42	44.5 Å²	44.5	19%	0.194	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.5	-179.1	178.5	72.9	0	0	0	110.8	F56 E83 I86 L87	H48-F56 PolarHBondContact N-O 2.92Å; H48-F56 WeakPolarHBondContact O-CA 3.5Å; H48-F56 WeakPolarHBondContact O-CB 3.45Å; H48-F56 PolarHBondContact O-N 3.43Å; H48-E83 PolarHBondContact CE1-O 3.42Å; H48-E83 PolarHBondContact NE2-O 2.88Å; H48-I86 HydrophobicContact CB-CG2 4.17Å; H48-I86 VanDerWaalsContact CG-CG2 3.46Å; H48-I86 WeakPolarHBondContact ND1-CG2 3.36Å; H48-L87 HydrophobicContact CB-CD2 4.22Å
49	V	97.7	Very high	97.2	Very high	76 Å²	76	41.2 Å²	41.2	46%	0.461	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	173.6	-178.2	0	0	0	0	107.5	I54 H55	V49-I54 WeakPolarHBondContact CA-O 3.44Å; V49-H55 HydrophobicContact CG2-CB 4.26Å; V49-H55 VanDerWaalsContact CG2-CD2 3.5Å; V49-H55 WeakPolarHBondContact CG2-CD2 3.44Å
50	D	95.8	Very high	97.2	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.064	24%	0.237	C	C	.	.			trans	-76.9	171.5	-178.8	82.2	-2.3	0	0	0	112.3	H52 G53 I54 F56 D84 L87	D50-H52 PolarHBondContact O-N 2.74Å; D50-H52 VanDerWaalsContact O-N 3.1Å; D50-H52 VanDerWaalsContact OD1-C 3.23Å; D50-H52 VanDerWaalsContact OD1-CA 3.27Å; D50-H52 WeakPolarHBondContact OD1-CA 3.44Å; D50-H52 WeakPolarHBondContact OD1-CB 3.5Å; D50-H52 PolarHBondContact OD1-N 3.39Å; D50-G53 PolarHBondContact O-N 2.61Å; D50-G53 PolarHBondContact OD1-N 2.96Å; D50-I54 PolarHBondContact N-O 2.65Å; D50-I54 VanDerWaalsContact N-O 3.07Å; D50-I54 WeakPolarHBondContact OD1-CB 3.35Å; D50-I54 PolarHBondContact OD1-N 2.79Å; D50-I54 WeakPolarHBondContact OD2-CB 3.43Å; D50-I54 WeakPolarHBondContact OD2-CD1 3.49Å; D50-F56 HydrophobicContact CB-CD2 4.49Å; D50-F56 HydrophobicContact CB-CE2 4.04Å; D50-D84 WeakPolarHBondContact CA-OD1 3.44Å; D50-D84 VanDerWaalsContact CB-OD1 3.23Å; D50-D84 WeakPolarHBondContact CB-OD1 3.4Å; D50-L87 HydrophobicContact CB-CD1 3.98Å
51	V	95.1	Very high	97.1	Very high	67 Å²	67	43.5 Å²	43.5	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.3	178	-60.7	0	0	0	0	114.2	E83 D84	V51-E83 HydrophobicContact CG1-CB 3.79Å; V51-E83 HydrophobicContact CG1-CG 4.46Å; V51-D84 WeakPolarHBondContact CG2-OD2 3.21Å; V51-D84 PolarHBondContact N-OD1 3.17Å
52	H	93.6	Very high	96.9	Very high	93 Å²	93	47.6 Å²	47.6	43%	0.431	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.1	177.2	-56.8	-68.2	0	0	0	112.8	L33 D50 I54 P208	L33-H52 HydrophobicContact CD2-CB 3.72Å; D50-H52 PolarHBondContact O-N 2.74Å; D50-H52 VanDerWaalsContact O-N 3.1Å; D50-H52 VanDerWaalsContact OD1-C 3.23Å; D50-H52 VanDerWaalsContact OD1-CA 3.27Å; D50-H52 WeakPolarHBondContact OD1-CA 3.44Å; D50-H52 WeakPolarHBondContact OD1-CB 3.5Å; D50-H52 PolarHBondContact OD1-N 3.39Å; H52-I54 HydrophobicContact CB-CG1 4.47Å; H52-P208 WeakPolarHBondContact NE2-CB 3.33Å
53	G	94.4	Very high	96.7	Very high	36 Å²	36	51.7 Å²	51.7	37%	0.371	30%	0.304	S	S	.	.			trans	81.1	9	179.6	0	0	0	0	0	114.5	A34 D50 H55	A34-G53 VanDerWaalsContact CB-O 3.23Å; A34-G53 WeakPolarHBondContact CB-O 3.34Å; D50-G53 PolarHBondContact O-N 2.61Å; D50-G53 PolarHBondContact OD1-N 2.96Å; G53-H55 PolarHBondContact O-N 3.31Å
54	I	96.6	Very high	96.5	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	34%	0.337	C	S	.	.			trans	-71.9	119.2	176.2	-54.2	-178.9	0	0	0	109	L33 V37 A40 V49 D50 H52 F56 Y198	L33-I54 HydrophobicContact CD2-CD1 3.77Å; L33-I54 HydrophobicContact CD2-CG1 4.23Å; L33-I54 HydrophobicContact CG-CD1 4.24Å; V37-I54 HydrophobicContact CB-CG2 4.31Å; V37-I54 HydrophobicContact CG1-CG2 3.96Å; V37-I54 HydrophobicContact CG2-CB 4.48Å; V37-I54 HydrophobicContact CG2-CD1 3.81Å; V37-I54 HydrophobicContact CG2-CG1 3.88Å; V37-I54 HydrophobicContact CG2-CG2 3.92Å; A40-I54 HydrophobicContact CB-CG2 3.89Å; V49-I54 WeakPolarHBondContact CA-O 3.44Å; D50-I54 PolarHBondContact N-O 2.65Å; D50-I54 VanDerWaalsContact N-O 3.07Å; D50-I54 WeakPolarHBondContact OD1-CB 3.35Å; D50-I54 PolarHBondContact OD1-N 2.79Å; D50-I54 WeakPolarHBondContact OD2-CB 3.43Å; D50-I54 WeakPolarHBondContact OD2-CD1 3.49Å; H52-I54 HydrophobicContact CB-CG1 4.47Å; I54-F56 HydrophobicContact CB-CD2 4.36Å; I54-F56 HydrophobicContact CB-CE2 3.83Å; I54-F56 HydrophobicContact CG2-CD2 4Å; I54-F56 HydrophobicContact CG2-CE2 3.58Å; I54-F56 HydrophobicContact CG2-CZ 4.03Å; I54-F56 WeakPolarHBondContact O-CD2 3.32Å; I54-F56 PolarHBondContact O-N 2.93Å; I54-Y198 HydrophobicContact CD1-CD2 4.44Å; I54-Y198 HydrophobicContact CD1-CE1 4.41Å; I54-Y198 HydrophobicContact CD1-CE2 4.2Å
55	H	97.7	Very high	96.5	Very high	105 Å²	105	62.3 Å²	62.3	49%	0.486	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	96.3	178.6	-178.3	-79.8	0	0	0	111.7	V49 G53 K57	V49-H55 HydrophobicContact CG2-CB 4.26Å; V49-H55 VanDerWaalsContact CG2-CD2 3.5Å; V49-H55 WeakPolarHBondContact CG2-CD2 3.44Å; G53-H55 PolarHBondContact O-N 3.31Å; H55-K57 PolarHBondContact O-N 2.87Å
56	F	98.4	Very high	96.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.6	171.5	-68.2	-97.6	0	0	0	110.6	A40 N42 S47 H48 D50 I54 L87 A196 Y198	A40-F56 HydrophobicContact CB-CD1 3.86Å; A40-F56 HydrophobicContact CB-CE1 4.13Å; A40-F56 HydrophobicContact CB-CG 4.12Å; N42-F56 HydrophobicContact CB-CB 4.16Å; S47-F56 CarbonylContact C-O 3.58Å; S47-F56 WeakPolarHBondContact CA-O 3.31Å; S47-F56 WeakPolarHBondContact CB-O 2.97Å; H48-F56 PolarHBondContact N-O 2.92Å; H48-F56 WeakPolarHBondContact O-CA 3.5Å; H48-F56 WeakPolarHBondContact O-CB 3.45Å; H48-F56 PolarHBondContact O-N 3.43Å; D50-F56 HydrophobicContact CB-CD2 4.49Å; D50-F56 HydrophobicContact CB-CE2 4.04Å; I54-F56 HydrophobicContact CB-CD2 4.36Å; I54-F56 HydrophobicContact CB-CE2 3.83Å; I54-F56 HydrophobicContact CG2-CD2 4Å; I54-F56 HydrophobicContact CG2-CE2 3.58Å; I54-F56 HydrophobicContact CG2-CZ 4.03Å; I54-F56 WeakPolarHBondContact O-CD2 3.32Å; I54-F56 PolarHBondContact O-N 2.93Å; F56-L87 HydrophobicContact CB-CD2 4.05Å; F56-L87 HydrophobicContact CD1-CD2 3.97Å; F56-L87 HydrophobicContact CD2-CD1 3.76Å; F56-L87 HydrophobicContact CD2-CD2 3.84Å; F56-L87 HydrophobicContact CD2-CG 4.47Å; F56-L87 HydrophobicContact CE1-CD1 4.42Å; F56-L87 HydrophobicContact CE1-CD2 4.41Å; F56-L87 HydrophobicContact CE2-CD1 3.47Å; F56-L87 VanDerWaalsContact CE2-CD1 3.47Å; F56-L87 HydrophobicContact CE2-CD2 4.3Å; F56-L87 HydrophobicContact CG-CD1 4.37Å; F56-L87 HydrophobicContact CG-CD2 3.67Å; F56-L87 HydrophobicContact CZ-CD1 3.84Å; F56-A196 HydrophobicContact CD1-CB 4.13Å; F56-A196 HydrophobicContact CE1-CB 3.97Å; F56-Y198 AromaticContact CE1-CD1 3.92Å; F56-Y198 HydrophobicContact CE1-CD1 3.92Å; F56-Y198 HydrophobicContact CE1-CG 4.47Å; F56-Y198 AromaticContact CZ-CD1 3.66Å; F56-Y198 HydrophobicContact CZ-CD1 3.66Å; F56-Y198 HydrophobicContact CZ-CE1 4.34Å; F56-Y198 HydrophobicContact CZ-CG 4.35Å
57	K	98.4	Very high	96.4	Very high	108 Å²	108	63.1 Å²	63.1	47%	0.47	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	153.6	176.4	-64.1	175.6	-176.7	172.7	0	110.5	A40 V41 N42 H55	A40-K57 PolarHBondContact O-N 3.25Å; V41-K57 WeakPolarHBondContact CA-O 3.05Å; N42-K57 PolarHBondContact N-O 2.82Å; H55-K57 PolarHBondContact O-N 2.87Å
58	K	98.2	Very high	96.4	Very high	89 Å²	89	62.2 Å²	62.2	39%	0.387	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	145.6	166.9	178.8	174.6	174.7	68.1	0	110	D46 P60 E62	D46-K58 WeakPolarHBondContact OD1-CD 3.35Å; D46-K58 IonicContact OD1-NZ 2.74Å; D46-K58 PolarHBondContact OD1-NZ 2.83Å; K58-P60 WeakPolarHBondContact O-CD 3.4Å; K58-E62 WeakPolarHBondContact CE-OE2 3.28Å; K58-E62 VanDerWaalsContact NZ-CD 3.27Å; K58-E62 IonicContact NZ-OE1 3.17Å; K58-E62 PolarHBondContact NZ-OE1 3.06Å; K58-E62 IonicContact NZ-OE2 2.61Å; K58-E62 PolarHBondContact NZ-OE2 3.32Å
59	D	98.1	Very high	96.3	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.027	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-59	117.7	-174.8	-165	-29.7	0	0	0	113.6	N42 A43 G44 G45 L61 E62 R92 Y100	N42-D59 WeakPolarHBondContact O-CB 3.4Å; A43-D59 WeakPolarHBondContact CA-OD2 3.42Å; G44-D59 PolarHBondContact N-OD2 3.36Å; G45-D59 PolarHBondContact O-N 2.93Å; D59-L61 PolarHBondContact O-N 2.95Å; D59-L61 WeakPolarHBondContact OD1-CB 3.43Å; D59-L61 PolarHBondContact OD1-N 3.08Å; D59-E62 WeakPolarHBondContact O-CB 3.27Å; D59-E62 PolarHBondContact O-N 2.95Å; D59-R92 VanDerWaalsContact CG-NE 3.35Å; D59-R92 IonicContact OD1-CZ 3.93Å; D59-R92 IonicContact OD1-NE 2.71Å; D59-R92 PolarHBondContact OD1-NE 3.01Å; D59-R92 IonicContact OD1-NH2 3.08Å; D59-R92 IonicContact OD2-CZ 2.82Å; D59-R92 IonicContact OD2-NE 3.97Å; D59-R92 PolarHBondContact OD2-NE 3.37Å; D59-R92 IonicContact OD2-NH2 3.11Å; D59-R92 PolarHBondContact OD2-NH2 2.87Å; D59-Y100 PolarHBondContact OD2-OH 3.23Å
60	P	97.2	Very high	96.2	Very high	57 Å²	57	63.2 Å²	63.2	37%	0.37	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.3	-179.5	30.3	-36.3	0	0	0	114.2	V41 K58 K64 Y100	V41-P60 HydrophobicContact CG2-CG 4.34Å; K58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-K64 PolarHBondContact O-NZ 2.97Å; P60-Y100 HydrophobicContact CG-CD1 4.16Å; P60-Y100 HydrophobicContact CG-CE1 4.17Å
61	L	96.9	Very high	96.2	Very high	22 Å²	22	66 Å²	66	12%	0.115	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.7	179.7	-57.5	-175.3	0	0	0	113	D59 G63 K64 I65 F98 Y100	D59-L61 PolarHBondContact O-N 2.95Å; D59-L61 WeakPolarHBondContact OD1-CB 3.43Å; D59-L61 PolarHBondContact OD1-N 3.08Å; L61-G63 PolarHBondContact O-N 2.85Å; L61-K64 PolarHBondContact O-N 3.36Å; L61-I65 HydrophobicContact CB-CB 4.47Å; L61-I65 HydrophobicContact CD2-CD1 4.34Å; L61-I65 PolarHBondContact O-N 2.71Å; L61-I65 VanDerWaalsContact O-N 3.08Å; L61-F98 HydrophobicContact CD1-CD2 4.19Å; L61-Y100 HydrophobicContact CD1-CD1 4Å; L61-Y100 HydrophobicContact CD1-CE1 3.55Å; L61-Y100 HydrophobicContact CD1-CE2 4.36Å; L61-Y100 HydrophobicContact CG-CD1 4.17Å; L61-Y100 HydrophobicContact CG-CE1 3.73Å
62	E	94.5	Very high	96.1	Very high	89 Å²	89	62.9 Å²	62.9	42%	0.416	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	131.3	176.9	-168.9	178.8	167.5	0	0	111.6	K58 D59 K64	K58-E62 WeakPolarHBondContact CE-OE2 3.28Å; K58-E62 VanDerWaalsContact NZ-CD 3.27Å; K58-E62 IonicContact NZ-OE1 3.17Å; K58-E62 PolarHBondContact NZ-OE1 3.06Å; K58-E62 IonicContact NZ-OE2 2.61Å; K58-E62 PolarHBondContact NZ-OE2 3.32Å; D59-E62 WeakPolarHBondContact O-CB 3.27Å; D59-E62 PolarHBondContact O-N 2.95Å; E62-K64 PolarHBondContact O-N 2.91Å
63	G	92.7	Very high	96.2	Very high	87 Å²	87	62 Å²	62	90%	0.897	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	4.5	-175.9	0	0	0	0	0	115.4	L61	L61-G63 PolarHBondContact O-N 2.85Å
64	K	94.8	Very high	96.1	Very high	161 Å²	161	68.1 Å²	68.1	70%	0.7	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-55.4	-177.9	-59.3	173.9	-168.3	155.8	0	113.4	P60 L61 E62	P60-K64 PolarHBondContact O-NZ 2.97Å; L61-K64 PolarHBondContact O-N 3.36Å; E62-K64 PolarHBondContact O-N 2.91Å
65	I	95.9	Very high	95.9	Very high	76 Å²	76	70 Å²	70	39%	0.39	37%	0.37	S	S	.	.	S	Bend	trans	-136.2	134.2	-171.7	-59.6	178.6	0	0	0	109.9	L61 R92 F98	L61-I65 HydrophobicContact CB-CB 4.47Å; L61-I65 HydrophobicContact CD2-CD1 4.34Å; L61-I65 PolarHBondContact O-N 2.71Å; L61-I65 VanDerWaalsContact O-N 3.08Å; I65-R92 WeakPolarHBondContact O-CD 3.4Å; I65-R92 PolarHBondContact O-NH1 3.38Å; I65-F98 HydrophobicContact CG2-CB 3.8Å
66	G	95.6	Very high	95.8	Very high	27 Å²	27	69.3 Å²	69.3	28%	0.278	38%	0.375	S	S	.	.	S	Bend	trans	67.5	-177.4	179.3	0	0	0	0	0	113.8	R92 Y93 N94	G66-R92 PolarHBondContact O-NH1 3.1Å; G66-Y93 CarbonylContact C-O 3.59Å; G66-Y93 VanDerWaalsContact CA-O 3.31Å; G66-Y93 WeakPolarHBondContact CA-O 3.43Å; G66-N94 WeakPolarHBondContact CA-OD1 3.23Å
67	K	97.4	Very high	95.7	Very high	100 Å²	100	69.5 Å²	69.5	44%	0.435	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.4	-178.7	-67.4	172.6	-179.9	168.2	0	108.8	R92 Y93 E95	K67-R92 WeakPolarHBondContact O-CA 3.29Å; K67-Y93 HydrophobicContact CB-CD1 4.37Å; K67-Y93 HydrophobicContact CB-CE1 3.81Å; K67-Y93 HydrophobicContact CB-CE2 4.09Å; K67-Y93 HydrophobicContact CD-CE2 3.98Å; K67-Y93 PolarHBondContact N-O 2.93Å; K67-Y93 PolarHBondContact O-N 2.87Å; K67-E95 IonicContact NZ-OE1 3.47Å; K67-E95 PolarHBondContact NZ-OE1 3.25Å
68	A	97.6	Very high	95.5	Very high	54 Å²	54	68 Å²	68	45%	0.446	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.9	168.6	0	0	0	0	0	109.2	E91	A68-E91 CarbonylContact C-O 3.59Å; A68-E91 WeakPolarHBondContact CA-O 3.17Å
69	S	96.6	Very high	95.3	Very high	21 Å²	21	66.4 Å²	66.4	15%	0.147	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.2	177.5	172.9	0	0	0	0	109.6	Y71 T90 E91	S69-Y71 WeakPolarHBondContact OG-CB 3.46Å; S69-Y71 PolarHBondContact OG-N 2.8Å; S69-T90 WeakPolarHBondContact O-CA 3.44Å; S69-E91 PolarHBondContact N-O 3.13Å; S69-E91 PolarHBondContact O-N 2.87Å
70	D	95.7	Very high	95.1	Very high	118 Å²	118	66.6 Å²	66.6	63%	0.631	37%	0.366	S	S	*	.			trans	-108	14.2	174	62.6	-7.7	0	0	0	111.5	G72 V73	D70-G72 PolarHBondContact O-N 3.45Å; D70-G72 VanDerWaalsContact O-N 3.07Å; D70-V73 HydrophobicContact CB-CG2 4.05Å; D70-V73 VanDerWaalsContact O-CB 3.31Å; D70-V73 WeakPolarHBondContact O-CB 3.42Å; D70-V73 VanDerWaalsContact O-CG2 3.32Å; D70-V73 WeakPolarHBondContact O-CG2 3.32Å; D70-V73 PolarHBondContact O-N 2.86Å
71	Y	94.8	Very high	94.9	Very high	71 Å²	71	65 Å²	65	28%	0.278	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-55.1	-33.1	-175.6	-173.5	-84.7	0	0	0	112.6	S69 V73 R74 V119 Y120	S69-Y71 WeakPolarHBondContact OG-CB 3.46Å; S69-Y71 PolarHBondContact OG-N 2.8Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 2.94Å; Y71-R74 VanDerWaalsContact CD2-NH1 3.34Å; Y71-R74 VanDerWaalsContact O-CD 3.23Å; Y71-R74 WeakPolarHBondContact O-CD 3.43Å; Y71-R74 VanDerWaalsContact O-CG 3.3Å; Y71-R74 WeakPolarHBondContact O-CG 3.4Å; Y71-R74 PolarHBondContact O-NE 2.82Å; Y71-R74 PolarHBondContact OH-NH2 2.84Å; Y71-V119 HydrophobicContact CD1-CB 4.34Å; Y71-V119 HydrophobicContact CD1-CG2 4.01Å; Y71-V119 WeakPolarHBondContact CE1-O 3.42Å; Y71-Y120 HydrophobicContact CE1-CD2 4.31Å; Y71-Y120 HydrophobicContact CE2-CD2 4.16Å; Y71-Y120 HydrophobicContact CE2-CE2 4.45Å; Y71-Y120 AromaticContact CZ-CD2 3.92Å
72	G	94	Very high	94.8	Very high	1 Å²	1	69 Å²	69	1%	0.01	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-68.9	-20.5	178.8	0	0	0	0	0	114.4	D70 R74 L75 Q89	D70-G72 PolarHBondContact O-N 3.45Å; D70-G72 VanDerWaalsContact O-N 3.07Å; G72-R74 PolarHBondContact O-N 2.99Å; G72-L75 PolarHBondContact O-N 3.04Å; G72-L75 VanDerWaalsContact O-O 3.12Å; G72-Q89 WeakPolarHBondContact CA-O 3.49Å; G72-Q89 PolarHBondContact N-O 3.47Å; G72-Q89 WeakPolarHBondContact O-CG 3.31Å
73	V	94.6	Very high	94.7	Very high	74 Å²	74	71.5 Å²	71.5	45%	0.448	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25.8	-175.2	175.1	0	0	0	0	112.9	D70 Y71 L75 I86 Q89 T90	D70-V73 HydrophobicContact CB-CG2 4.05Å; D70-V73 VanDerWaalsContact O-CB 3.31Å; D70-V73 WeakPolarHBondContact O-CB 3.42Å; D70-V73 VanDerWaalsContact O-CG2 3.32Å; D70-V73 WeakPolarHBondContact O-CG2 3.32Å; D70-V73 PolarHBondContact O-N 2.86Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 2.94Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.3Å; V73-I86 HydrophobicContact CG2-CD1 4.41Å; V73-Q89 HydrophobicContact CG2-CB 3.99Å; V73-T90 HydrophobicContact CG2-CG2 4.45Å
74	R	92.6	Very high	94.9	Very high	164 Å²	164	68.1 Å²	68.1	62%	0.619	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-82.5	-3.4	178.1	73.8	-151.7	-166.7	171.7	21.3	114.3	Y71 G72	Y71-R74 VanDerWaalsContact CD2-NH1 3.34Å; Y71-R74 VanDerWaalsContact O-CD 3.23Å; Y71-R74 WeakPolarHBondContact O-CD 3.43Å; Y71-R74 VanDerWaalsContact O-CG 3.3Å; Y71-R74 WeakPolarHBondContact O-CG 3.4Å; Y71-R74 PolarHBondContact O-NE 2.82Å; Y71-R74 PolarHBondContact OH-NH2 2.84Å; G72-R74 PolarHBondContact O-N 2.99Å
75	L	93.4	Very high	95	Very high	41 Å²	41	62.4 Å²	62.4	22%	0.215	33%	0.332	C	S	.	.	S	Bend	trans	-119.6	135.5	-174.5	-61.6	170.5	0	0	0	109.8	G72 V73 I77 Q89 V119	G72-L75 PolarHBondContact O-N 3.04Å; G72-L75 VanDerWaalsContact O-O 3.12Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.3Å; L75-I77 PolarHBondContact O-N 3.28Å; L75-Q89 PolarHBondContact O-NE2 2.77Å; L75-V119 HydrophobicContact CD1-CB 3.99Å; L75-V119 HydrophobicContact CD1-CG1 4.3Å
76	P	94.5	Very high	95	Very high	91 Å²	91	61.2 Å²	61.2	59%	0.591	33%	0.326	S	S	*	.			trans	-69.1	130.2	168.5	29.6	-32.3	0	0	0	109
77	I	96	Very high	95.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.313	C	S	.	.			trans	-94	112.9	175.9	-53.3	-58.1	0	0	0	109.6	L75 S80 Q85 Y88 Q89 A117 V119 S151 A153	L75-I77 PolarHBondContact O-N 3.28Å; I77-S80 PolarHBondContact O-OG 3Å; I77-Q85 HydrophobicContact CB-CG 4.37Å; I77-Y88 HydrophobicContact CG2-CG 4.21Å; I77-Q89 HydrophobicContact CD1-CG 4.31Å; I77-Q89 HydrophobicContact CG1-CG 3.65Å; I77-A117 HydrophobicContact CD1-CB 4.2Å; I77-A117 HydrophobicContact CG2-CB 4.18Å; I77-V119 HydrophobicContact CD1-CG1 3.82Å; I77-S151 WeakPolarHBondContact CA-O 3.41Å; I77-A153 HydrophobicContact CG2-CB 3.91Å
78	L	95	Very high	95.2	Very high	77 Å²	77	55.5 Å²	55.5	40%	0.403	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-63.3	155	176.5	-59.8	178.7	0	0	0	110.9	S80 S151 T152 A153	L78-S80 PolarHBondContact O-N 2.79Å; L78-S151 PolarHBondContact N-O 2.9Å; L78-T152 HydrophobicContact CB-CG2 4.23Å; L78-A153 WeakPolarHBondContact O-CB 3.23Å; L78-A153 PolarHBondContact O-N 3.34Å
79	R	93.8	Very high	95.2	Very high	55 Å²	55	53.9 Å²	53.9	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	2.3	-179.8	-54.6	-179.9	65.9	-161.7	-1	116.6	T152 A153 L210 Q211	R79-T152 HydrophobicContact CB-CG2 4.49Å; R79-T152 VanDerWaalsContact CD-CG2 3.48Å; R79-T152 HydrophobicContact CG-CG2 3.85Å; R79-A153 HydrophobicContact CB-CB 4.29Å; R79-L210 HydrophobicContact CB-CB 4.38Å; R79-Q211 WeakPolarHBondContact CB-O 3.38Å; R79-Q211 WeakPolarHBondContact CG-O 3.37Å; R79-Q211 PolarHBondContact NE-O 3.25Å; R79-Q211 PolarHBondContact O-N 3.36Å
80	S	94	Very high	95.2	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.063	27%	0.272	C	S	.	.	S	Bend	trans	-112.8	151.8	178.3	67.9	0	0	0	0	111.9	I77 L78 Q85	I77-S80 PolarHBondContact O-OG 3Å; L78-S80 PolarHBondContact O-N 2.79Å; S80-Q85 VanDerWaalsContact OG-CG 3.22Å; S80-Q85 WeakPolarHBondContact OG-CG 3.08Å
81	S	93	Very high	95.3	Very high	23 Å²	23	48.4 Å²	48.4	16%	0.161	25%	0.246	C	C	.	.			trans	-69	149.7	173.1	85.3	0	0	0	0	109.7	E83 D84 Q85	S81-E83 PolarHBondContact O-N 2.84Å; S81-D84 PolarHBondContact O-N 2.96Å; S81-D84 VanDerWaalsContact O-N 3.14Å; S81-D84 WeakPolarHBondContact OG-CB 3.35Å; S81-D84 PolarHBondContact OG-N 2.92Å; S81-D84 VanDerWaalsContact OG-N 3.16Å; S81-D84 PolarHBondContact OG-OD2 2.89Å; S81-Q85 WeakPolarHBondContact O-CG 3.44Å; S81-Q85 PolarHBondContact O-N 2.87Å; S81-Q85 VanDerWaalsContact O-N 3.09Å
82	P	93.4	Very high	95.5	Very high	107 Å²	107	45.2 Å²	45.2	70%	0.695	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.1	178.9	-26.8	35.6	0	0	0	114.2
83	E	94.1	Very high	95.7	Very high	141 Å²	141	48.2 Å²	48.2	66%	0.659	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-36.6	180	-64.8	176.1	-150.5	0	0	111.4	H48 V51 S81	H48-E83 PolarHBondContact CE1-O 3.42Å; H48-E83 PolarHBondContact NE2-O 2.88Å; V51-E83 HydrophobicContact CG1-CB 3.79Å; V51-E83 HydrophobicContact CG1-CG 4.46Å; S81-E83 PolarHBondContact O-N 2.84Å
84	D	95.9	Very high	95.8	Very high	16 Å²	16	46.1 Å²	46.1	9%	0.086	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.7	-177.5	-52.6	-38	0	0	0	113.8	D50 V51 S81 I86 L87	D50-D84 WeakPolarHBondContact CA-OD1 3.44Å; D50-D84 VanDerWaalsContact CB-OD1 3.23Å; D50-D84 WeakPolarHBondContact CB-OD1 3.4Å; V51-D84 WeakPolarHBondContact CG2-OD2 3.21Å; V51-D84 PolarHBondContact N-OD1 3.17Å; S81-D84 PolarHBondContact O-N 2.96Å; S81-D84 VanDerWaalsContact O-N 3.14Å; S81-D84 WeakPolarHBondContact OG-CB 3.35Å; S81-D84 PolarHBondContact OG-N 2.92Å; S81-D84 VanDerWaalsContact OG-N 3.16Å; S81-D84 PolarHBondContact OG-OD2 2.89Å; D84-I86 PolarHBondContact O-N 2.71Å; D84-L87 HydrophobicContact CB-CD1 4.44Å; D84-L87 WeakPolarHBondContact O-CB 3.21Å; D84-L87 PolarHBondContact O-N 2.86Å
85	Q	96.5	Very high	96	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.187	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.8	-179.1	-87.8	-176.2	36.2	0	0	112	I77 S80 S81 L87 Y88 Q89	I77-Q85 HydrophobicContact CB-CG 4.37Å; S80-Q85 VanDerWaalsContact OG-CG 3.22Å; S80-Q85 WeakPolarHBondContact OG-CG 3.08Å; S81-Q85 WeakPolarHBondContact O-CG 3.44Å; S81-Q85 PolarHBondContact O-N 2.87Å; S81-Q85 VanDerWaalsContact O-N 3.09Å; Q85-L87 PolarHBondContact O-N 3.44Å; Q85-L87 VanDerWaalsContact O-N 3.16Å; Q85-Y88 CarbonylContact O-C 3.53Å; Q85-Y88 PolarHBondContact O-N 2.83Å; Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 VanDerWaalsContact O-CG 3.24Å; Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.11Å
86	I	97.2	Very high	96.2	Very high	52 Å²	52	46.1 Å²	46.1	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-56.8	-33.6	179.3	-168.6	62.5	0	0	0	112.8	H48 V73 D84 Y88 Q89 T90	H48-I86 HydrophobicContact CB-CG2 4.17Å; H48-I86 VanDerWaalsContact CG-CG2 3.46Å; H48-I86 WeakPolarHBondContact ND1-CG2 3.36Å; V73-I86 HydrophobicContact CG2-CD1 4.41Å; D84-I86 PolarHBondContact O-N 2.71Å; I86-Y88 PolarHBondContact O-N 2.88Å; I86-Q89 PolarHBondContact O-N 2.63Å; I86-T90 HydrophobicContact CD1-CG2 3.95Å; I86-T90 PolarHBondContact O-N 3.47Å; I86-T90 PolarHBondContact O-OG1 2.73Å
87	L	98	Very high	96.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-9.8	178.3	-61	177.5	0	0	0	113.6	N42 H48 D50 F56 D84 Q85 K115 C195 A196	N42-L87 HydrophobicContact CB-CD2 4.12Å; H48-L87 HydrophobicContact CB-CD2 4.22Å; D50-L87 HydrophobicContact CB-CD1 3.98Å; F56-L87 HydrophobicContact CB-CD2 4.05Å; F56-L87 HydrophobicContact CD1-CD2 3.97Å; F56-L87 HydrophobicContact CD2-CD1 3.76Å; F56-L87 HydrophobicContact CD2-CD2 3.84Å; F56-L87 HydrophobicContact CD2-CG 4.47Å; F56-L87 HydrophobicContact CE1-CD1 4.42Å; F56-L87 HydrophobicContact CE1-CD2 4.41Å; F56-L87 HydrophobicContact CE2-CD1 3.47Å; F56-L87 VanDerWaalsContact CE2-CD1 3.47Å; F56-L87 HydrophobicContact CE2-CD2 4.3Å; F56-L87 HydrophobicContact CG-CD1 4.37Å; F56-L87 HydrophobicContact CG-CD2 3.67Å; F56-L87 HydrophobicContact CZ-CD1 3.84Å; D84-L87 HydrophobicContact CB-CD1 4.44Å; D84-L87 WeakPolarHBondContact O-CB 3.21Å; D84-L87 PolarHBondContact O-N 2.86Å; Q85-L87 PolarHBondContact O-N 3.44Å; Q85-L87 VanDerWaalsContact O-N 3.16Å; L87-K115 HydrophobicContact CB-CD 4.38Å; L87-C195 CarbonylContact O-C 3.34Å; L87-C195 WeakPolarHBondContact O-CB 3.49Å; L87-A196 HydrophobicContact CB-CB 4.16Å; L87-A196 HydrophobicContact CD2-CB 4.19Å
88	Y	98.1	Very high	96.4	Very high	6 Å²	6	45 Å²	45	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-115.3	-13.7	174.8	-63.8	-83.6	0	0	0	112.9	I77 Q85 I86 K115 Y116 A117 A153 D155 L210	I77-Y88 HydrophobicContact CG2-CG 4.21Å; Q85-Y88 CarbonylContact O-C 3.53Å; Q85-Y88 PolarHBondContact O-N 2.83Å; I86-Y88 PolarHBondContact O-N 2.88Å; Y88-K115 HydrophobicContact CD1-CB 4.19Å; Y88-K115 HydrophobicContact CE1-CB 3.64Å; Y88-K115 HydrophobicContact CE1-CD 4.21Å; Y88-K115 HydrophobicContact CE1-CG 4.08Å; Y88-K115 HydrophobicContact CE2-CD 4.18Å; Y88-K115 WeakPolarHBondContact OH-CD 3.49Å; Y88-K115 PolarHBondContact OH-NZ 2.78Å; Y88-Y116 WeakPolarHBondContact CD1-O 3.28Å; Y88-A117 HydrophobicContact CD1-CB 4.46Å; Y88-A153 HydrophobicContact CD1-CB 3.63Å; Y88-A153 HydrophobicContact CD2-CB 4.28Å; Y88-A153 HydrophobicContact CE1-CB 3.5Å; Y88-A153 HydrophobicContact CE2-CB 4.18Å; Y88-A153 HydrophobicContact CG-CB 4.03Å; Y88-D155 VanDerWaalsContact CE1-OD1 3.28Å; Y88-D155 WeakPolarHBondContact CE1-OD1 3.39Å; Y88-D155 PolarHBondContact OH-OD1 2.87Å; Y88-D155 PolarHBondContact OH-OD2 2.73Å; Y88-L210 WeakPolarHBondContact OH-CD2 3.07Å
89	Q	97.5	Very high	96.5	Very high	20 Å²	20	42.5 Å²	42.5	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	-92.6	-31.3	-176.3	-75.6	178.4	-27.3	0	0	113.4	G72 V73 L75 I77 Q85 I86	G72-Q89 WeakPolarHBondContact CA-O 3.49Å; G72-Q89 PolarHBondContact N-O 3.47Å; G72-Q89 WeakPolarHBondContact O-CG 3.31Å; V73-Q89 HydrophobicContact CG2-CB 3.99Å; L75-Q89 PolarHBondContact O-NE2 2.77Å; I77-Q89 HydrophobicContact CD1-CG 4.31Å; I77-Q89 HydrophobicContact CG1-CG 3.65Å; Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 VanDerWaalsContact O-CG 3.24Å; Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.11Å; I86-Q89 PolarHBondContact O-N 2.63Å
90	T	97.7	Very high	96.7	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	22%	0.215	C	C	.	.			trans	-91.8	144	170.3	52.8	0	0	0	0	110.4	N42 A43 S69 V73 I86 C195	N42-T90 PolarHBondContact ND2-OG1 3.27Å; N42-T90 PolarHBondContact OD1-OG1 3.08Å; A43-T90 CarbonylContact O-C 3.55Å; S69-T90 WeakPolarHBondContact O-CA 3.44Å; V73-T90 HydrophobicContact CG2-CG2 4.45Å; I86-T90 HydrophobicContact CD1-CG2 3.95Å; I86-T90 PolarHBondContact O-N 3.47Å; I86-T90 PolarHBondContact O-OG1 2.73Å; T90-C195 WeakPolarHBondContact O-CA 3.43Å; T90-C195 VanDerWaalsContact O-CB 3.25Å; T90-C195 WeakPolarHBondContact O-CB 2.87Å
91	E	97.6	Very high	96.9	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.2	177.4	65.3	-177.3	-161.3	0	0	112.4	A43 G44 A68 S69 K193 V194	A43-E91 CarbonylContact O-C 3.54Å; A43-E91 VanDerWaalsContact O-CA 3.31Å; A43-E91 WeakPolarHBondContact O-CA 3.41Å; A43-E91 PolarHBondContact O-N 2.83Å; G44-E91 WeakPolarHBondContact CA-O 3.4Å; A68-E91 CarbonylContact C-O 3.59Å; A68-E91 WeakPolarHBondContact CA-O 3.17Å; S69-E91 PolarHBondContact N-O 3.13Å; S69-E91 PolarHBondContact O-N 2.87Å; E91-K193 WeakPolarHBondContact OE2-CD 3.35Å; E91-K193 IonicContact OE2-NZ 2.67Å; E91-K193 PolarHBondContact OE2-NZ 3.28Å; E91-V194 WeakPolarHBondContact CA-O 3.31Å
92	R	98.3	Very high	97.1	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.8	161.8	-178.4	171.3	-60.7	-69.3	-20.3	109.3	A43 D59 I65 G66 K67 F98 K193 V194	A43-R92 HydrophobicContact CB-CB 4.02Å; D59-R92 VanDerWaalsContact CG-NE 3.35Å; D59-R92 IonicContact OD1-CZ 3.93Å; D59-R92 IonicContact OD1-NE 2.71Å; D59-R92 PolarHBondContact OD1-NE 3.01Å; D59-R92 IonicContact OD1-NH2 3.08Å; D59-R92 IonicContact OD2-CZ 2.82Å; D59-R92 IonicContact OD2-NE 3.97Å; D59-R92 PolarHBondContact OD2-NE 3.37Å; D59-R92 IonicContact OD2-NH2 3.11Å; D59-R92 PolarHBondContact OD2-NH2 2.87Å; I65-R92 WeakPolarHBondContact O-CD 3.4Å; I65-R92 PolarHBondContact O-NH1 3.38Å; G66-R92 PolarHBondContact O-NH1 3.1Å; K67-R92 WeakPolarHBondContact O-CA 3.29Å; R92-F98 HydrophobicContact CB-CE2 4.47Å; R92-F98 HydrophobicContact CG-CE2 4Å; R92-F98 HydrophobicContact CG-CZ 4.4Å; R92-F98 WeakPolarHBondContact O-CZ 3.33Å; R92-K193 CarbonylContact O-C 3.54Å; R92-K193 WeakPolarHBondContact O-CA 3.17Å; R92-V194 PolarHBondContact N-O 2.89Å; R92-V194 PolarHBondContact O-N 2.84Å
93	Y	97.8	Very high	97.2	Very high	64 Å²	64	41.1 Å²	41.1	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	161.9	169	71.2	-86.9	0	0	0	110.4	G66 K67 N191 P192	G66-Y93 CarbonylContact C-O 3.59Å; G66-Y93 VanDerWaalsContact CA-O 3.31Å; G66-Y93 WeakPolarHBondContact CA-O 3.43Å; K67-Y93 HydrophobicContact CB-CD1 4.37Å; K67-Y93 HydrophobicContact CB-CE1 3.81Å; K67-Y93 HydrophobicContact CB-CE2 4.09Å; K67-Y93 HydrophobicContact CD-CE2 3.98Å; K67-Y93 PolarHBondContact N-O 2.93Å; K67-Y93 PolarHBondContact O-N 2.87Å; Y93-N191 HydrophobicContact CD2-CB 4.14Å; Y93-P192 WeakPolarHBondContact CA-O 3.37Å; Y93-P192 WeakPolarHBondContact CB-O 3.16Å
94	N	97.6	Very high	97.3	Very high	31 Å²	31	34.6 Å²	34.6	17%	0.166	19%	0.186	C	C	.	.			trans	-143.2	151.3	175.3	-166.5	20.5	0	0	0	111.6	G66 D96 F98 N191 P192	G66-N94 WeakPolarHBondContact CA-OD1 3.23Å; N94-D96 WeakPolarHBondContact CB-O 3.36Å; N94-D96 PolarHBondContact ND2-O 3.48Å; N94-D96 PolarHBondContact O-N 2.92Å; N94-F98 HydrophobicContact CB-CB 4.14Å; N94-F98 HydrophobicContact CB-CD1 3.43Å; N94-F98 VanDerWaalsContact CB-CD1 3.43Å; N94-F98 HydrophobicContact CB-CE1 4Å; N94-F98 HydrophobicContact CB-CG 3.9Å; N94-N191 WeakPolarHBondContact O-CB 3.3Å; N94-P192 PolarHBondContact N-O 2.86Å; N94-P192 WeakPolarHBondContact O-CD 3.48Å
95	E	96.3	Very high	97.1	Very high	96 Å²	96	44.6 Å²	44.6	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	-75.1	-3	176.9	-71	170.8	-149.2	0	0	113.1	K67 K186 N191	K67-E95 IonicContact NZ-OE1 3.47Å; K67-E95 PolarHBondContact NZ-OE1 3.25Å; E95-K186 WeakPolarHBondContact O-CD 3.45Å; E95-K186 WeakPolarHBondContact O-CE 3.47Å; E95-K186 PolarHBondContact O-NZ 2.6Å; E95-N191 WeakPolarHBondContact CA-OD1 3.18Å
96	D	96.9	Very high	97	Very high	109 Å²	109	47.9 Å²	47.9	58%	0.583	24%	0.241	S	C	*	.	S	Bend	trans	-139.9	172.6	176.1	-73.2	-51.2	0	0	0	109.9	N94 F98	N94-D96 WeakPolarHBondContact CB-O 3.36Å; N94-D96 PolarHBondContact ND2-O 3.48Å; N94-D96 PolarHBondContact O-N 2.92Å; D96-F98 PolarHBondContact O-N 2.63Å
97	T	97.4	Very high	96.9	Very high	63 Å²	63	49.3 Å²	49.3	39%	0.387	25%	0.249	S	C	.	.			trans	-55.8	132.2	171.5	-61	0	0	0	0	110.9	E183 F184 V185 K186	T97-E183 HydrophobicContact CG2-CB 4.42Å; T97-F184 WeakPolarHBondContact CA-O 3.34Å; T97-V185 HydrophobicContact CG2-CB 4.46Å; T97-V185 HydrophobicContact CG2-CG2 4.18Å; T97-V185 WeakPolarHBondContact OG1-CA 3.32Å; T97-K186 PolarHBondContact OG1-N 3.18Å; T97-K186 VanDerWaalsContact OG1-N 3.11Å
98	F	98.2	Very high	96.8	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	167.6	175.4	73.7	-75.2	0	0	0	110.3	L61 I65 R92 N94 D96 Y100 E183 F184 P192 V194	L61-F98 HydrophobicContact CD1-CD2 4.19Å; I65-F98 HydrophobicContact CG2-CB 3.8Å; R92-F98 HydrophobicContact CB-CE2 4.47Å; R92-F98 HydrophobicContact CG-CE2 4Å; R92-F98 HydrophobicContact CG-CZ 4.4Å; R92-F98 WeakPolarHBondContact O-CZ 3.33Å; N94-F98 HydrophobicContact CB-CB 4.14Å; N94-F98 HydrophobicContact CB-CD1 3.43Å; N94-F98 VanDerWaalsContact CB-CD1 3.43Å; N94-F98 HydrophobicContact CB-CE1 4Å; N94-F98 HydrophobicContact CB-CG 3.9Å; D96-F98 PolarHBondContact O-N 2.63Å; F98-Y100 HydrophobicContact CE2-CE2 4.28Å; F98-E183 CarbonylContact O-C 3.57Å; F98-E183 WeakPolarHBondContact O-CA 3.3Å; F98-F184 HydrophobicContact CD1-CB 4.33Å; F98-F184 HydrophobicContact CD2-CD2 4.15Å; F98-F184 HydrophobicContact CE1-CB 3.95Å; F98-F184 HydrophobicContact CE1-CD2 4.13Å; F98-F184 HydrophobicContact CE1-CG 4.37Å; F98-F184 AromaticContact CE2-CD2 3.68Å; F98-F184 HydrophobicContact CE2-CD2 3.68Å; F98-F184 HydrophobicContact CE2-CE2 4.15Å; F98-F184 HydrophobicContact CZ-CB 4.28Å; F98-F184 AromaticContact CZ-CD2 3.68Å; F98-F184 HydrophobicContact CZ-CD2 3.68Å; F98-F184 HydrophobicContact CZ-CE2 4.4Å; F98-F184 HydrophobicContact CZ-CG 4.2Å; F98-F184 PolarHBondContact N-O 3.16Å; F98-F184 PolarHBondContact O-N 2.71Å; F98-P192 HydrophobicContact CD1-CG 4.09Å; F98-P192 HydrophobicContact CE1-CB 4.02Å; F98-P192 HydrophobicContact CE1-CG 3.94Å; F98-P192 WeakPolarHBondContact CE1-O 3.31Å; F98-V194 HydrophobicContact CE2-CG1 4.34Å; F98-V194 HydrophobicContact CZ-CG1 4.36Å
99	G	97.6	Very high	96.8	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	172.8	-177.5	0	0	0	0	0	114.7	V182	G99-V182 CarbonylContact C-O 3.53Å; G99-V182 WeakPolarHBondContact CA-O 3.36Å
100	Y	98.3	Very high	96.8	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147	175.2	-63.6	-86.9	0	0	0	111.1	W39 V41 A43 D59 P60 L61 F98 V182 F184 V194 L197	W39-Y100 AromaticContact CH2-CD1 3.89Å; W39-Y100 HydrophobicContact CH2-CD1 3.89Å; W39-Y100 AromaticContact CH2-CG 3.92Å; W39-Y100 HydrophobicContact CH2-CG 3.92Å; W39-Y100 HydrophobicContact CZ2-CD1 4.29Å; V41-Y100 HydrophobicContact CG1-CE1 4.1Å; A43-Y100 VanDerWaalsContact CB-OH 3.28Å; A43-Y100 WeakPolarHBondContact CB-OH 3.24Å; D59-Y100 PolarHBondContact OD2-OH 3.23Å; P60-Y100 HydrophobicContact CG-CD1 4.16Å; P60-Y100 HydrophobicContact CG-CE1 4.17Å; L61-Y100 HydrophobicContact CD1-CD1 4Å; L61-Y100 HydrophobicContact CD1-CE1 3.55Å; L61-Y100 HydrophobicContact CD1-CE2 4.36Å; L61-Y100 HydrophobicContact CG-CD1 4.17Å; L61-Y100 HydrophobicContact CG-CE1 3.73Å; F98-Y100 HydrophobicContact CE2-CE2 4.28Å; Y100-V182 PolarHBondContact N-O 2.84Å; Y100-V182 PolarHBondContact O-N 3.07Å; Y100-F184 AromaticContact CD2-CE2 3.74Å; Y100-F184 HydrophobicContact CD2-CE2 3.74Å; Y100-F184 HydrophobicContact CD2-CZ 4.42Å; Y100-F184 AromaticContact CE2-CE2 3.75Å; Y100-F184 HydrophobicContact CE2-CE2 3.75Å; Y100-F184 HydrophobicContact CE2-CZ 4.48Å; Y100-V194 HydrophobicContact CE2-CG1 3.84Å; Y100-L197 HydrophobicContact CD2-CD1 3.78Å; Y100-L197 HydrophobicContact CD2-CD2 3.74Å; Y100-L197 HydrophobicContact CD2-CG 4.43Å; Y100-L197 HydrophobicContact CE2-CD1 4.47Å; Y100-L197 HydrophobicContact CE2-CD2 3.59Å; Y100-L197 HydrophobicContact CG-CD1 4.16Å; Y100-L197 HydrophobicContact CG-CD2 4.34Å
101	D	97.3	Very high	96.8	Very high	85 Å²	85	52.1 Å²	52.1	46%	0.455	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.2	175.8	-83.4	-26.3	0	0	0	109.4	K179 T181	D101-K179 HydrophobicContact CB-CD 3.73Å; D101-K179 HydrophobicContact CB-CG 4Å; D101-K179 VanDerWaalsContact CG-CD 3.46Å; D101-K179 VanDerWaalsContact CG-CE 3.41Å; D101-K179 WeakPolarHBondContact OD1-CE 3.5Å; D101-K179 IonicContact OD1-NZ 3.75Å; D101-K179 PolarHBondContact OD1-NZ 2.96Å; D101-K179 WeakPolarHBondContact OD2-CE 3.41Å; D101-K179 IonicContact OD2-NZ 3.57Å; D101-K179 PolarHBondContact OD2-NZ 3.3Å; D101-T181 WeakPolarHBondContact OD1-CG2 3.14Å
102	V	97.4	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.9	-179.8	-174.2	0	0	0	0	109.7	W39 I104 K179 L180 V199	W39-V102 HydrophobicContact CB-CG1 3.57Å; W39-V102 HydrophobicContact CD2-CB 4.35Å; W39-V102 HydrophobicContact CD2-CG1 3.93Å; W39-V102 HydrophobicContact CD2-CG2 3.74Å; W39-V102 HydrophobicContact CE3-CB 4.49Å; W39-V102 HydrophobicContact CE3-CG1 4.22Å; W39-V102 HydrophobicContact CE3-CG2 3.52Å; W39-V102 HydrophobicContact CG-CB 4.49Å; W39-V102 HydrophobicContact CG-CG1 3.65Å; W39-V102 HydrophobicContact CG-CG2 4.37Å; W39-V102 HydrophobicContact CH2-CG2 4.05Å; W39-V102 HydrophobicContact CZ2-CG2 4.23Å; W39-V102 HydrophobicContact CZ3-CG2 3.67Å; V102-I104 HydrophobicContact CG1-CG1 4.18Å; V102-I104 PolarHBondContact O-N 3.2Å; V102-K179 CarbonylContact O-C 3.49Å; V102-K179 WeakPolarHBondContact O-CA 3.45Å; V102-L180 HydrophobicContact CB-CB 4.17Å; V102-L180 PolarHBondContact N-O 3.29Å; V102-L180 PolarHBondContact O-N 3.25Å; V102-V199 HydrophobicContact CG1-CB 4.39Å; V102-V199 HydrophobicContact CG1-CG2 4.09Å; V102-V199 HydrophobicContact CG2-CG2 4.23Å
103	P	96.6	Very high	96.8	Very high	76 Å²	76	51.3 Å²	51.3	49%	0.494	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.1	176	28.7	-32.3	0	0	0	110.2
104	I	96.1	Very high	96.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	25%	0.252	C	S	.	.			trans	-128.3	123.7	176.4	-46.9	-177.6	0	0	0	108.4	I38 V102 Y110 F160 I162 F176 G178 L180 V199	I38-I104 HydrophobicContact CD1-CB 4.35Å; I38-I104 HydrophobicContact CD1-CD1 4.06Å; I38-I104 HydrophobicContact CD1-CG1 3.75Å; I38-I104 HydrophobicContact CD1-CG2 4.02Å; V102-I104 HydrophobicContact CG1-CG1 4.18Å; V102-I104 PolarHBondContact O-N 3.2Å; I104-Y110 HydrophobicContact CG2-CE1 4.12Å; I104-Y110 HydrophobicContact CG2-CE2 3.87Å; I104-Y110 WeakPolarHBondContact CG2-OH 3.47Å; I104-F160 HydrophobicContact CD1-CE2 3.84Å; I104-F160 HydrophobicContact CD1-CZ 3.77Å; I104-I162 HydrophobicContact CB-CD1 4.1Å; I104-I162 HydrophobicContact CD1-CD1 3.91Å; I104-I162 HydrophobicContact CG2-CD1 3.77Å; I104-F176 HydrophobicContact CB-CE1 4.19Å; I104-F176 HydrophobicContact CB-CZ 3.82Å; I104-F176 HydrophobicContact CD1-CZ 4.5Å; I104-F176 HydrophobicContact CG1-CZ 4.33Å; I104-F176 WeakPolarHBondContact O-CE1 3.43Å; I104-G178 PolarHBondContact N-O 3.27Å; I104-G178 CarbonylContact O-C 3.52Å; I104-G178 WeakPolarHBondContact O-CA 3.31Å; I104-G178 VanDerWaalsContact O-O 3.14Å; I104-L180 HydrophobicContact CD1-CB 3.85Å; I104-L180 HydrophobicContact CD1-CD2 4.09Å; I104-L180 HydrophobicContact CD1-CG 4.48Å; I104-L180 HydrophobicContact CG1-CB 4.38Å; I104-V199 HydrophobicContact CD1-CG1 4.33Å
105	R	91.4	Very high	96.9	Very high	227 Å²	227	47.6 Å²	47.6	86%	0.857	25%	0.248	S	C	*	.			trans	-103.7	-30.6	-173.5	-63.1	-175.3	-178.9	123.2	0	113.6
106	D	94.2	Very high	97	Very high	108 Å²	108	43 Å²	43	58%	0.578	23%	0.227	S	C	*	.	S	Bend	trans	-104.2	143.8	-171.4	-56.4	-49.5	0	0	0	111.1	Y110	D106-Y110 WeakPolarHBondContact O-CE2 3.32Å; D106-Y110 PolarHBondContact O-OH 3.18Å
107	D	95.6	Very high	97	Very high	83 Å²	83	37.9 Å²	37.9	44%	0.444	20%	0.199	S	C	.	.			trans	-67.1	146.4	167.5	-77.7	2.9	0	0	0	110	I162 K164	D107-I162 CarbonylContact C-O 3.55Å; D107-I162 WeakPolarHBondContact CA-O 3.39Å; D107-I162 WeakPolarHBondContact CB-O 3.25Å; D107-K164 PolarHBondContact OD2-N 3.19Å
108	G	95.7	Very high	97	Very high	13 Å²	13	35 Å²	35	13%	0.134	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	174.1	-178	0	0	0	0	0	113.4	Y110 S161 I162	G108-Y110 WeakPolarHBondContact O-CD2 3.29Å; G108-S161 WeakPolarHBondContact O-CA 3.2Å; G108-I162 PolarHBondContact N-O 2.93Å; G108-I162 PolarHBondContact O-N 3.16Å
109	D	96.8	Very high	96.9	Very high	76 Å²	76	34.6 Å²	34.6	41%	0.406	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.3	169.5	-54.3	-51.9	0	0	0	108.1	S161 K163 G202	D109-S161 WeakPolarHBondContact OD1-CB 3.18Å; D109-K163 IonicContact OD1-NZ 2.8Å; D109-K163 PolarHBondContact OD1-NZ 2.83Å; D109-K163 VanDerWaalsContact OD1-NZ 3.11Å; D109-K163 IonicContact OD2-NZ 2.6Å; D109-G202 PolarHBondContact O-N 3.21Å
110	Y	97.4	Very high	96.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.7	-170.7	-67	-83.8	0	0	0	110.6	I38 I104 D106 G108 F160 I162 V199 M200 K201	I38-Y110 HydrophobicContact CD1-CD1 4.11Å; I38-Y110 HydrophobicContact CD1-CE1 3.77Å; I38-Y110 HydrophobicContact CG2-CE1 4.49Å; I104-Y110 HydrophobicContact CG2-CE1 4.12Å; I104-Y110 HydrophobicContact CG2-CE2 3.87Å; I104-Y110 WeakPolarHBondContact CG2-OH 3.47Å; D106-Y110 WeakPolarHBondContact O-CE2 3.32Å; D106-Y110 PolarHBondContact O-OH 3.18Å; G108-Y110 WeakPolarHBondContact O-CD2 3.29Å; Y110-F160 VanDerWaalsContact CB-CE1 3.48Å; Y110-F160 HydrophobicContact CD2-CD2 4.5Å; Y110-F160 AromaticContact CD2-CE2 3.87Å; Y110-F160 HydrophobicContact CD2-CE2 3.87Å; Y110-F160 HydrophobicContact CD2-CZ 4.27Å; Y110-F160 AromaticContact CG-CE2 3.93Å; Y110-F160 HydrophobicContact CG-CE2 3.93Å; Y110-F160 AromaticContact CG-CZ 3.85Å; Y110-F160 HydrophobicContact CG-CZ 3.85Å; Y110-F160 PolarHBondContact N-O 3Å; Y110-F160 PolarHBondContact O-N 3.21Å; Y110-I162 HydrophobicContact CD2-CD1 4.13Å; Y110-I162 HydrophobicContact CD2-CG1 4.43Å; Y110-I162 HydrophobicContact CE2-CB 4.4Å; Y110-I162 HydrophobicContact CE2-CD1 4Å; Y110-I162 HydrophobicContact CE2-CG1 4.47Å; Y110-V199 HydrophobicContact CD1-CG1 4.24Å; Y110-M200 CarbonylContact C-O 3.59Å; Y110-M200 VanDerWaalsContact CA-O 3.23Å; Y110-M200 WeakPolarHBondContact CA-O 3.05Å; Y110-K201 HydrophobicContact CD1-CB 4.15Å; Y110-K201 HydrophobicContact CE1-CB 4.05Å; Y110-K201 HydrophobicContact CE1-CG 4.29Å
111	I	97.6	Very high	96.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.2	173.1	-50.8	-63.2	0	0	0	108.5	V113 I157 P159 V199 M200 V207	I111-V113 HydrophobicContact CG2-CG2 3.81Å; I111-I157 HydrophobicContact CG2-CG2 3.39Å; I111-P159 HydrophobicContact CD1-CB 3.67Å; I111-V199 WeakPolarHBondContact O-CA 3.26Å; I111-M200 HydrophobicContact CB-CG 3.99Å; I111-M200 PolarHBondContact N-O 3.32Å; I111-M200 PolarHBondContact O-N 3.13Å; I111-V207 HydrophobicContact CB-CG2 4.39Å; I111-V207 HydrophobicContact CG1-CG2 4.41Å; I111-V207 HydrophobicContact CG2-CG2 3.76Å
112	L	98.1	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.1	165.2	170	66.4	0	0	0	108	M114 V133 V158 F160 V182 L197 V199	L112-M114 HydrophobicContact CD1-CG 4.16Å; L112-M114 HydrophobicContact CD2-CE 3.89Å; L112-M114 HydrophobicContact CD2-CG 4.37Å; L112-M114 HydrophobicContact CD2-SD 3.87Å; L112-M114 HydrophobicContact CG-CE 4.07Å; L112-M114 HydrophobicContact CG-CG 4.08Å; L112-M114 HydrophobicContact CG-SD 4.19Å; L112-V133 HydrophobicContact CD2-CG2 3.65Å; L112-V158 HydrophobicContact CB-CB 4.34Å; L112-V158 PolarHBondContact N-O 2.75Å; L112-V158 PolarHBondContact O-N 3.22Å; L112-F160 HydrophobicContact CB-CD1 4.35Å; L112-F160 HydrophobicContact CB-CE1 4.02Å; L112-V182 HydrophobicContact CD1-CG2 4.2Å; L112-V182 HydrophobicContact CD2-CG1 4Å; L112-V182 HydrophobicContact CD2-CG2 3.7Å; L112-L197 HydrophobicContact CD1-CD1 4.49Å; L112-V199 HydrophobicContact CD1-CG2 3.74Å
113	V	98.3	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.9	174	-178	0	0	0	0	108.5	I111 D155 E156 I157 L197 Y198 V207	I111-V113 HydrophobicContact CG2-CG2 3.81Å; V113-D155 HydrophobicContact CG1-CB 4.37Å; V113-E156 WeakPolarHBondContact CA-O 3.5Å; V113-I157 HydrophobicContact CG2-CG1 4.43Å; V113-I157 HydrophobicContact CG2-CG2 4.34Å; V113-L197 CarbonylContact O-C 3.36Å; V113-L197 WeakPolarHBondContact O-CA 3.44Å; V113-Y198 HydrophobicContact CB-CD1 3.95Å; V113-Y198 HydrophobicContact CB-CD2 4.41Å; V113-Y198 HydrophobicContact CB-CE1 3.47Å; V113-Y198 VanDerWaalsContact CB-CE1 3.47Å; V113-Y198 HydrophobicContact CB-CE2 3.96Å; V113-Y198 HydrophobicContact CB-CG 4.41Å; V113-Y198 VanDerWaalsContact CB-CZ 3.48Å; V113-Y198 HydrophobicContact CG1-CD1 4.33Å; V113-Y198 HydrophobicContact CG1-CE1 3.59Å; V113-Y198 HydrophobicContact CG2-CE1 4.05Å; V113-Y198 HydrophobicContact CG2-CE2 3.77Å; V113-Y198 VanDerWaalsContact CG2-CZ 3.5Å; V113-Y198 WeakPolarHBondContact CG2-OH 3.34Å; V113-Y198 PolarHBondContact N-O 3.4Å; V113-Y198 PolarHBondContact O-N 2.98Å; V113-V207 HydrophobicContact CG2-CG1 3.89Å; V113-V207 HydrophobicContact CG2-CG2 4.21Å
114	M	98.6	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125	177.7	-63.8	159.4	-71.7	0	0	108.8	L112 Y116 V131 D155 E156 V158 V182 F184 L197	L112-M114 HydrophobicContact CD1-CG 4.16Å; L112-M114 HydrophobicContact CD2-CE 3.89Å; L112-M114 HydrophobicContact CD2-CG 4.37Å; L112-M114 HydrophobicContact CD2-SD 3.87Å; L112-M114 HydrophobicContact CG-CE 4.07Å; L112-M114 HydrophobicContact CG-CG 4.08Å; L112-M114 HydrophobicContact CG-SD 4.19Å; M114-Y116 HydrophobicContact CB-CD2 4.49Å; M114-Y116 HydrophobicContact CB-CE2 3.55Å; M114-Y116 WeakPolarHBondContact O-CD2 3.19Å; M114-Y116 WeakPolarHBondContact O-CE2 3.47Å; M114-V131 HydrophobicContact CE-CG1 4.23Å; M114-V131 HydrophobicContact SD-CG1 3.67Å; M114-D155 CarbonylContact O-C 3.6Å; M114-D155 WeakPolarHBondContact O-CA 3.38Å; M114-E156 HydrophobicContact CB-CB 4.49Å; M114-E156 HydrophobicContact CE-CB 3.99Å; M114-E156 PolarHBondContact N-O 2.98Å; M114-E156 PolarHBondContact O-N 2.75Å; M114-V158 HydrophobicContact CE-CB 4.47Å; M114-V158 HydrophobicContact CE-CG2 3.63Å; M114-V182 HydrophobicContact SD-CG1 4.06Å; M114-F184 HydrophobicContact SD-CE1 4.14Å; M114-L197 HydrophobicContact CG-CB 4.11Å
115	K	98.4	Very high	96.2	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.078	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.2	-175.5	-62.3	-173.3	172.6	-64.6	0	109.8	L87 Y88 D155 C195 A196	L87-K115 HydrophobicContact CB-CD 4.38Å; Y88-K115 HydrophobicContact CD1-CB 4.19Å; Y88-K115 HydrophobicContact CE1-CB 3.64Å; Y88-K115 HydrophobicContact CE1-CD 4.21Å; Y88-K115 HydrophobicContact CE1-CG 4.08Å; Y88-K115 HydrophobicContact CE2-CD 4.18Å; Y88-K115 WeakPolarHBondContact OH-CD 3.49Å; Y88-K115 PolarHBondContact OH-NZ 2.78Å; K115-D155 IonicContact NZ-OD1 2.63Å; K115-D155 IonicContact NZ-OD2 3.76Å; K115-D155 PolarHBondContact NZ-OD2 2.9Å; K115-C195 VanDerWaalsContact O-CB 3.32Å; K115-C195 WeakPolarHBondContact O-CB 3.39Å; K115-C195 PolarHBondContact O-N 2.79Å; K115-A196 HydrophobicContact CB-CB 4.15Å; K115-A196 HydrophobicContact CD-CB 4.2Å; K115-A196 PolarHBondContact N-O 2.76Å; K115-A196 PolarHBondContact O-N 3.03Å
116	Y	98.4	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151	-178	-55.3	-84.2	0	0	0	111.1	Y88 M114 F129 L142 I144 H154 E156 F184 K193 V194	Y88-Y116 WeakPolarHBondContact CD1-O 3.28Å; M114-Y116 HydrophobicContact CB-CD2 4.49Å; M114-Y116 HydrophobicContact CB-CE2 3.55Å; M114-Y116 WeakPolarHBondContact O-CD2 3.19Å; M114-Y116 WeakPolarHBondContact O-CE2 3.47Å; Y116-F129 HydrophobicContact CD1-CZ 4.28Å; Y116-F129 HydrophobicContact CE1-CE2 4.16Å; Y116-F129 AromaticContact CE1-CZ 3.87Å; Y116-F129 HydrophobicContact CE1-CZ 3.87Å; Y116-L142 HydrophobicContact CD2-CD2 4.44Å; Y116-L142 HydrophobicContact CE1-CD2 4.21Å; Y116-L142 HydrophobicContact CE2-CD2 3.97Å; Y116-I144 HydrophobicContact CD1-CD1 3.81Å; Y116-I144 HydrophobicContact CD1-CG1 4.42Å; Y116-I144 HydrophobicContact CG-CD1 4.05Å; Y116-I144 HydrophobicContact CG-CG1 4.26Å; Y116-H154 PolarHBondContact N-O 3.3Å; Y116-H154 PolarHBondContact O-N 3.49Å; Y116-E156 HydrophobicContact CD2-CG 4.18Å; Y116-E156 HydrophobicContact CE2-CB 3.89Å; Y116-E156 HydrophobicContact CE2-CG 3.7Å; Y116-F184 HydrophobicContact CE1-CE1 4.45Å; Y116-F184 WeakPolarHBondContact OH-CE1 3.16Å; Y116-K193 WeakPolarHBondContact CE1-O 3.46Å; Y116-V194 HydrophobicContact CD1-CG2 4.48Å; Y116-V194 HydrophobicContact CE1-CB 3.99Å; Y116-V194 HydrophobicContact CE1-CG2 4Å
117	A	97.9	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	131.4	161.6	0	0	0	0	0	109	I77 Y88 V119 K193 C195	I77-A117 HydrophobicContact CD1-CB 4.2Å; I77-A117 HydrophobicContact CG2-CB 4.18Å; Y88-A117 HydrophobicContact CD1-CB 4.46Å; A117-V119 HydrophobicContact CB-CG1 4.38Å; A117-K193 PolarHBondContact O-NZ 3.37Å; A117-C195 PolarHBondContact N-SG 3.2Å
118	E	97	Very high	96.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-84.4	116.6	173.3	-177.1	53.4	-112.6	0	0	109.7	Y120 F121 K127 I144 F145 S151 K193	E118-Y120 WeakPolarHBondContact OE1-CA 3.39Å; E118-Y120 PolarHBondContact OE1-N 2.91Å; E118-F121 HydrophobicContact CG-CB 4.24Å; E118-F121 WeakPolarHBondContact CG-O 3.37Å; E118-F121 PolarHBondContact OE1-N 2.95Å; E118-K127 WeakPolarHBondContact OE2-CD 3.21Å; E118-K127 VanDerWaalsContact OE2-CE 3.3Å; E118-K127 WeakPolarHBondContact OE2-CE 3.42Å; E118-I144 HydrophobicContact CB-CB 4.09Å; E118-I144 HydrophobicContact CB-CG2 3.84Å; E118-F145 HydrophobicContact CB-CB 4.42Å; E118-F145 HydrophobicContact CG-CB 4.1Å; E118-F145 HydrophobicContact CG-CD2 4.37Å; E118-S151 PolarHBondContact O-N 3.07Å; E118-K193 WeakPolarHBondContact OE2-CE 3.36Å
119	V	96.1	Very high	96.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.167	C	C	.	.			trans	-121.6	-9.3	-174.6	-65.8	0	0	0	0	112.9	Y71 L75 I77 A117 H150	Y71-V119 HydrophobicContact CD1-CB 4.34Å; Y71-V119 HydrophobicContact CD1-CG2 4.01Å; Y71-V119 WeakPolarHBondContact CE1-O 3.42Å; L75-V119 HydrophobicContact CD1-CB 3.99Å; L75-V119 HydrophobicContact CD1-CG1 4.3Å; I77-V119 HydrophobicContact CD1-CG1 3.82Å; A117-V119 HydrophobicContact CB-CG1 4.38Å; V119-H150 PolarHBondContact O-NE2 2.78Å
120	Y	94.9	Very high	96.8	Very high	143 Å²	143	30.8 Å²	30.8	56%	0.561	16%	0.155	S	C	*	.	S	Bend	trans	-107.5	-48.4	-174.7	-173.3	-96.7	0	0	0	111.8	Y71 E118	Y71-Y120 HydrophobicContact CE1-CD2 4.31Å; Y71-Y120 HydrophobicContact CE2-CD2 4.16Å; Y71-Y120 HydrophobicContact CE2-CE2 4.45Å; Y71-Y120 AromaticContact CZ-CD2 3.92Å; E118-Y120 WeakPolarHBondContact OE1-CA 3.39Å; E118-Y120 PolarHBondContact OE1-N 2.91Å
121	F	95.3	Very high	96.8	Very high	35 Å²	35	30.6 Å²	30.6	15%	0.154	16%	0.155	C	C	.	.			trans	-91.6	140.5	-178.6	-66.9	-61.8	0	0	0	112.4	E118 Q126 K127 F145 H150 D190	E118-F121 HydrophobicContact CG-CB 4.24Å; E118-F121 WeakPolarHBondContact CG-O 3.37Å; E118-F121 PolarHBondContact OE1-N 2.95Å; F121-Q126 HydrophobicContact CB-CB 4.03Å; F121-Q126 VanDerWaalsContact CB-OE1 3.3Å; F121-Q126 HydrophobicContact CD1-CB 3.77Å; F121-Q126 HydrophobicContact CD1-CG 4.39Å; F121-Q126 HydrophobicContact CD2-CB 4.18Å; F121-Q126 HydrophobicContact CE1-CB 4.22Å; F121-Q126 HydrophobicContact CG-CB 3.72Å; F121-K127 HydrophobicContact CD2-CB 3.82Å; F121-K127 HydrophobicContact CE2-CB 3.92Å; F121-F145 VanDerWaalsContact O-CD2 3.31Å; F121-F145 WeakPolarHBondContact O-CD2 3.28Å; F121-H150 PolarHBondContact O-CD2 3.31Å; F121-D190 HydrophobicContact CE2-CB 3.84Å; F121-D190 WeakPolarHBondContact CE2-OD2 3.3Å; F121-D190 HydrophobicContact CZ-CB 3.95Å; F121-D190 WeakPolarHBondContact CZ-OD2 3.5Å
122	A	94	Very high	96.9	Very high	67 Å²	67	34.7 Å²	34.7	55%	0.554	17%	0.17	S	C	*	.			trans	-109.8	15.8	-177.8	0	0	0	0	0	113	F145	A122-F145 VanDerWaalsContact CA-CE2 3.45Å; A122-F145 WeakPolarHBondContact O-CE2 3.41Å; A122-F145 WeakPolarHBondContact O-CZ 3.38Å
123	Q	93.9	Very high	96.8	Very high	124 Å²	124	34.7 Å²	34.7	58%	0.579	17%	0.17	S	C	*	.	S	Bend	trans	-147.4	148.8	-178.7	-61	180	-19	0	0	111.5	Q126	Q123-Q126 HydrophobicContact CB-CG 4.12Å; Q123-Q126 VanDerWaalsContact OE1-NE2 3.12Å
124	S	95.5	Very high	96.7	Very high	46 Å²	46	36.4 Å²	36.4	32%	0.322	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	158.8	171.6	-50.6	0	0	0	0	110.8	Q126 F145 D146	S124-Q126 PolarHBondContact O-N 2.83Å; S124-F145 WeakPolarHBondContact OG-CD1 3.41Å; S124-D146 WeakPolarHBondContact CB-OD1 3.45Å; S124-D146 PolarHBondContact OG-OD1 2.83Å
125	Q	95	Very high	96.5	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	22.5	178.9	-59.6	-66.9	-71.9	0	0	114	D143 Y189	Q125-D143 WeakPolarHBondContact CA-OD2 3.33Å; Q125-D143 PolarHBondContact N-OD2 3.09Å; Q125-D143 PolarHBondContact NE2-OD2 3.14Å; Q125-D143 VanDerWaalsContact NE2-OD2 3.11Å; Q125-Y189 HydrophobicContact CB-CE1 4.3Å; Q125-Y189 WeakPolarHBondContact O-CD1 3.29Å; Q125-Y189 WeakPolarHBondContact O-CE1 3.29Å; Q125-Y189 PolarHBondContact OE1-OH 2.92Å
126	Q	95.6	Very high	96.5	Very high	64 Å²	64	39.2 Å²	39.2	30%	0.299	21%	0.205	S	C	.	.	S	Bend	trans	-93.5	-33.4	171.9	-66.3	-166.3	-28.7	0	0	112.2	F121 Q123 S124 D190	F121-Q126 HydrophobicContact CB-CB 4.03Å; F121-Q126 VanDerWaalsContact CB-OE1 3.3Å; F121-Q126 HydrophobicContact CD1-CB 3.77Å; F121-Q126 HydrophobicContact CD1-CG 4.39Å; F121-Q126 HydrophobicContact CD2-CB 4.18Å; F121-Q126 HydrophobicContact CE1-CB 4.22Å; F121-Q126 HydrophobicContact CG-CB 3.72Å; Q123-Q126 HydrophobicContact CB-CG 4.12Å; Q123-Q126 VanDerWaalsContact OE1-NE2 3.12Å; S124-Q126 PolarHBondContact O-N 2.83Å; Q126-D190 VanDerWaalsContact O-CB 3.31Å; Q126-D190 WeakPolarHBondContact O-CB 3.39Å; Q126-D190 PolarHBondContact O-N 3Å
127	K	96.4	Very high	96.4	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.052	22%	0.22	C	C	.	.	S	Bend	trans	-133.4	110.8	176.3	-179	-172.7	-60.3	-65.5	0	109.3	E118 F121 F129 D190 N191 K193	E118-K127 WeakPolarHBondContact OE2-CD 3.21Å; E118-K127 VanDerWaalsContact OE2-CE 3.3Å; E118-K127 WeakPolarHBondContact OE2-CE 3.42Å; F121-K127 HydrophobicContact CD2-CB 3.82Å; F121-K127 HydrophobicContact CE2-CB 3.92Å; K127-F129 HydrophobicContact CD-CD1 4.45Å; K127-F129 HydrophobicContact CD-CE1 4.17Å; K127-F129 HydrophobicContact CG-CD1 4.07Å; K127-F129 HydrophobicContact CG-CE1 4.25Å; K127-D190 HydrophobicContact CB-CB 4.17Å; K127-D190 HydrophobicContact CG-CB 4.31Å; K127-D190 IonicContact NZ-OD2 3.97Å; K127-D190 PolarHBondContact NZ-OD2 3.28Å; K127-N191 PolarHBondContact NZ-O 2.82Å; K127-N191 VanDerWaalsContact NZ-O 3.11Å; K127-K193 HydrophobicContact CD-CD 3.61Å; K127-K193 HydrophobicContact CD-CG 4.15Å
128	V	97.6	Very high	96.4	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	22%	0.223	C	C	.	.			trans	-136.5	124.9	-179.5	-171.7	0	0	0	0	108.2	D141 L142 D143 Y189	V128-D141 VanDerWaalsContact CG1-C 3.45Å; V128-D141 VanDerWaalsContact CG1-CA 3.44Å; V128-D141 HydrophobicContact CG1-CB 3.76Å; V128-L142 WeakPolarHBondContact CA-O 3.42Å; V128-D143 HydrophobicContact CG2-CB 4.22Å; V128-Y189 HydrophobicContact CB-CD2 3.55Å; V128-Y189 HydrophobicContact CB-CE2 4.02Å; V128-Y189 HydrophobicContact CB-CG 4.22Å; V128-Y189 HydrophobicContact CG1-CD2 4.45Å; V128-Y189 HydrophobicContact CG2-CD2 3.69Å; V128-Y189 HydrophobicContact CG2-CE2 3.86Å; V128-Y189 HydrophobicContact CG2-CG 4.12Å
129	F	98.4	Very high	96.4	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.2	-178.8	60.8	-86.4	0	0	0	111	Y116 K127 V131 L142 I144 F184 V185 P192 K193	Y116-F129 HydrophobicContact CD1-CZ 4.28Å; Y116-F129 HydrophobicContact CE1-CE2 4.16Å; Y116-F129 AromaticContact CE1-CZ 3.87Å; Y116-F129 HydrophobicContact CE1-CZ 3.87Å; K127-F129 HydrophobicContact CD-CD1 4.45Å; K127-F129 HydrophobicContact CD-CE1 4.17Å; K127-F129 HydrophobicContact CG-CD1 4.07Å; K127-F129 HydrophobicContact CG-CE1 4.25Å; F129-V131 HydrophobicContact CD2-CG2 4.39Å; F129-V131 HydrophobicContact CE2-CG2 4.13Å; F129-L142 HydrophobicContact CE2-CD2 3.88Å; F129-L142 HydrophobicContact CZ-CD2 3.78Å; F129-L142 HydrophobicContact CZ-CG 4.31Å; F129-L142 PolarHBondContact N-O 3.11Å; F129-L142 VanDerWaalsContact O-CB 3.3Å; F129-L142 WeakPolarHBondContact O-CB 3.22Å; F129-L142 PolarHBondContact O-N 3.39Å; F129-I144 HydrophobicContact CE1-CD1 4Å; F129-I144 HydrophobicContact CZ-CD1 4.1Å; F129-F184 HydrophobicContact CD2-CB 4.47Å; F129-F184 HydrophobicContact CE2-CD1 4.22Å; F129-V185 WeakPolarHBondContact CB-O 3.43Å; F129-P192 HydrophobicContact CB-CB 3.92Å; F129-P192 HydrophobicContact CD2-CB 3.91Å; F129-P192 HydrophobicContact CG-CB 3.88Å; F129-K193 HydrophobicContact CE1-CG 4.44Å; F129-K193 VanDerWaalsContact CZ-O 3.31Å; F129-K193 WeakPolarHBondContact CZ-O 3.31Å
130	D	98.2	Very high	96.4	Very high	31 Å²	31	49.4 Å²	49.4	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	156.2	175.9	-60.4	-32.9	0	0	0	110.5	T137 V139 K140 D141 V185	D130-T137 HydrophobicContact CB-CG2 4.31Å; D130-V139 CarbonylContact C-O 3.59Å; D130-V139 WeakPolarHBondContact CA-O 3.09Å; D130-K140 WeakPolarHBondContact OD1-CA 3.46Å; D130-D141 PolarHBondContact OD1-N 3.34Å; D130-V185 HydrophobicContact CB-CB 4.15Å; D130-V185 PolarHBondContact N-O 2.94Å; D130-V185 PolarHBondContact O-N 2.94Å
131	V	98.4	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129	170.4	-173.7	0	0	0	0	108.9	M114 F129 V138 V139 L142 V182 E183 F184	M114-V131 HydrophobicContact CE-CG1 4.23Å; M114-V131 HydrophobicContact SD-CG1 3.67Å; F129-V131 HydrophobicContact CD2-CG2 4.39Å; F129-V131 HydrophobicContact CE2-CG2 4.13Å; V131-V138 HydrophobicContact CB-CG2 4.13Å; V131-V138 HydrophobicContact CG1-CG2 3.9Å; V131-V138 WeakPolarHBondContact O-CG2 3.46Å; V131-V138 PolarHBondContact O-N 2.79Å; V131-V139 HydrophobicContact CB-CB 3.98Å; V131-V139 HydrophobicContact CB-CG2 4.29Å; V131-V139 HydrophobicContact CG2-CB 4.1Å; V131-V139 PolarHBondContact N-O 3.04Å; V131-V139 PolarHBondContact O-N 3.27Å; V131-L142 HydrophobicContact CG2-CD2 4.24Å; V131-V182 HydrophobicContact CG1-CG1 4.42Å; V131-E183 CarbonylContact C-O 3.57Å; V131-E183 WeakPolarHBondContact CA-O 3.45Å; V131-F184 HydrophobicContact CG1-CD1 4.36Å; V131-F184 HydrophobicContact CG1-CE1 4.35Å; V131-F184 HydrophobicContact CG2-CD1 4.1Å
132	R	98.2	Very high	96.7	Very high	88 Å²	88	45.1 Å²	45.1	33%	0.332	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.2	175.6	-62	-175	179.6	156.7	6.2	111.9	H136 T137 V182 E183 V185	R132-H136 CarbonylContact C-O 3.43Å; R132-H136 WeakPolarHBondContact CA-O 3.43Å; R132-H136 WeakPolarHBondContact CB-O 3.34Å; R132-T137 PolarHBondContact NE-OG1 3.26Å; R132-V182 CarbonylContact O-C 3.56Å; R132-V182 WeakPolarHBondContact O-CA 3.41Å; R132-E183 HydrophobicContact CB-CB 4.3Å; R132-E183 PolarHBondContact N-O 2.65Å; R132-E183 PolarHBondContact O-N 3.17Å; R132-V185 HydrophobicContact CB-CG2 4.42Å; R132-V185 HydrophobicContact CG-CG2 3.77Å
133	V	97.8	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.4	173.1	175.4	0	0	0	0	108.5	L112 G135 H136 V138 L180 T181	L112-V133 HydrophobicContact CD2-CG2 3.65Å; V133-G135 PolarHBondContact O-N 2.78Å; V133-H136 PolarHBondContact N-O 2.78Å; V133-H136 WeakPolarHBondContact O-CB 3.25Å; V133-H136 PolarHBondContact O-CD2 2.8Å; V133-H136 PolarHBondContact O-N 2.81Å; V133-V138 HydrophobicContact CB-CG1 3.83Å; V133-V138 HydrophobicContact CB-CG2 4.38Å; V133-V138 HydrophobicContact CG2-CB 4.42Å; V133-V138 HydrophobicContact CG2-CG1 3.91Å; V133-V138 HydrophobicContact CG2-CG2 3.65Å; V133-L180 HydrophobicContact CG1-CD1 3.46Å; V133-L180 VanDerWaalsContact CG1-CD1 3.46Å; V133-L180 HydrophobicContact CG1-CG 4.16Å; V133-T181 CarbonylContact C-O 3.58Å; V133-T181 VanDerWaalsContact CA-O 3.31Å; V133-T181 WeakPolarHBondContact CA-O 3.4Å
134	N	95.6	Very high	97	Very high	37 Å²	37	36.4 Å²	36.4	20%	0.198	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	36.6	-177.1	-153.5	51.2	0	0	0	113.3	H136 L167 S174 T175 T181	N134-H136 VanDerWaalsContact C-N 3.32Å; N134-H136 PolarHBondContact O-N 2.98Å; N134-L167 HydrophobicContact CB-CD1 4.19Å; N134-L167 HydrophobicContact CB-CD2 4.24Å; N134-S174 PolarHBondContact ND2-OG 3.18Å; N134-T175 PolarHBondContact ND2-O 3.44Å; N134-T181 VanDerWaalsContact CA-OG1 3.29Å; N134-T181 WeakPolarHBondContact CA-OG1 3.42Å; N134-T181 PolarHBondContact N-O 2.78Å; N134-T181 PolarHBondContact N-OG1 3.31Å
135	G	94.9	Very high	97.1	Very high	46 Å²	46	36.2 Å²	36.2	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-13.8	-177.4	0	0	0	0	0	115.6	V133	V133-G135 PolarHBondContact O-N 2.78Å
136	H	96.7	Very high	97.1	Very high	31 Å²	31	36.7 Å²	36.7	14%	0.144	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	134.1	178.2	-56.8	-61.2	0	0	0	110.5	R132 V133 N134 V138 V169 E172 S174	R132-H136 CarbonylContact C-O 3.43Å; R132-H136 WeakPolarHBondContact CA-O 3.43Å; R132-H136 WeakPolarHBondContact CB-O 3.34Å; V133-H136 PolarHBondContact N-O 2.78Å; V133-H136 WeakPolarHBondContact O-CB 3.25Å; V133-H136 PolarHBondContact O-CD2 2.8Å; V133-H136 PolarHBondContact O-N 2.81Å; N134-H136 VanDerWaalsContact C-N 3.32Å; N134-H136 PolarHBondContact O-N 2.98Å; H136-V138 PolarHBondContact O-N 2.87Å; H136-V169 HydrophobicContact CB-CG1 3.81Å; H136-E172 VanDerWaalsContact CB-OE2 3.25Å; H136-E172 WeakPolarHBondContact CB-OE2 3.38Å; H136-E172 IonicContact CG-OE2 3.69Å; H136-E172 IonicContact ND1-OE2 2.75Å; H136-E172 PolarHBondContact ND1-OE2 2.67Å; H136-S174 WeakPolarHBondContact NE2-CB 3.33Å; H136-S174 PolarHBondContact NE2-OG 2.8Å
137	T	97.1	Very high	97	Very high	51 Å²	51	41.1 Å²	41.1	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.7	179.5	-56.5	0	0	0	0	109.5	D130 R132 K140	D130-T137 HydrophobicContact CB-CG2 4.31Å; R132-T137 PolarHBondContact NE-OG1 3.26Å; T137-K140 HydrophobicContact CG2-CB 4.26Å
138	V	97.4	Very high	97	Very high	11 Å²	11	41 Å²	41	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-28.4	-174.9	-64.1	0	0	0	0	113	V131 V133 H136 V158 V169 Q170	V131-V138 HydrophobicContact CB-CG2 4.13Å; V131-V138 HydrophobicContact CG1-CG2 3.9Å; V131-V138 WeakPolarHBondContact O-CG2 3.46Å; V131-V138 PolarHBondContact O-N 2.79Å; V133-V138 HydrophobicContact CB-CG1 3.83Å; V133-V138 HydrophobicContact CB-CG2 4.38Å; V133-V138 HydrophobicContact CG2-CB 4.42Å; V133-V138 HydrophobicContact CG2-CG1 3.91Å; V133-V138 HydrophobicContact CG2-CG2 3.65Å; H136-V138 PolarHBondContact O-N 2.87Å; V138-V158 HydrophobicContact CB-CG1 4.02Å; V138-V158 HydrophobicContact CB-CG2 4.17Å; V138-V158 HydrophobicContact CG1-CG1 3.96Å; V138-V158 HydrophobicContact CG2-CG1 4.4Å; V138-V158 HydrophobicContact CG2-CG2 4.05Å; V138-V169 HydrophobicContact CG1-CG1 4.41Å; V138-V169 HydrophobicContact CG1-CG2 3.59Å; V138-Q170 PolarHBondContact O-NE2 2.86Å
139	V	97.4	Very high	96.8	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.3	171.3	-170.6	0	0	0	0	106.9	D130 V131 L142 E156	D130-V139 CarbonylContact C-O 3.59Å; D130-V139 WeakPolarHBondContact CA-O 3.09Å; V131-V139 HydrophobicContact CB-CB 3.98Å; V131-V139 HydrophobicContact CB-CG2 4.29Å; V131-V139 HydrophobicContact CG2-CB 4.1Å; V131-V139 PolarHBondContact N-O 3.04Å; V131-V139 PolarHBondContact O-N 3.27Å; V139-L142 HydrophobicContact CG1-CB 3.87Å; V139-L142 HydrophobicContact CG1-CD1 4.14Å; V139-L142 HydrophobicContact CG1-CD2 4.4Å; V139-L142 HydrophobicContact CG1-CG 4.35Å; V139-E156 HydrophobicContact CG2-CB 4.44Å; V139-E156 HydrophobicContact CG2-CG 4.33Å
140	K	96.9	Very high	96.6	Very high	141 Å²	141	45.4 Å²	45.4	61%	0.613	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.9	-179.5	-167.8	179	178.5	-80	0	109.8	D130 T137 L142	D130-K140 WeakPolarHBondContact OD1-CA 3.46Å; T137-K140 HydrophobicContact CG2-CB 4.26Å; K140-L142 VanDerWaalsContact C-N 3.29Å; K140-L142 PolarHBondContact O-N 3.25Å
141	D	96.8	Very high	96.5	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.5	47.4	177.1	-57.6	-54.8	0	0	0	112.1	V128 D130 D143	V128-D141 VanDerWaalsContact CG1-C 3.45Å; V128-D141 VanDerWaalsContact CG1-CA 3.44Å; V128-D141 HydrophobicContact CG1-CB 3.76Å; D130-D141 PolarHBondContact OD1-N 3.34Å; D141-D143 PolarHBondContact O-N 2.95Å; D141-D143 VanDerWaalsContact O-N 3.14Å
142	L	98.1	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	112.7	-179.6	179.9	57.8	0	0	0	110.5	Y116 V128 F129 V131 V139 K140 I144 E156	Y116-L142 HydrophobicContact CD2-CD2 4.44Å; Y116-L142 HydrophobicContact CE1-CD2 4.21Å; Y116-L142 HydrophobicContact CE2-CD2 3.97Å; V128-L142 WeakPolarHBondContact CA-O 3.42Å; F129-L142 HydrophobicContact CE2-CD2 3.88Å; F129-L142 HydrophobicContact CZ-CD2 3.78Å; F129-L142 HydrophobicContact CZ-CG 4.31Å; F129-L142 PolarHBondContact N-O 3.11Å; F129-L142 VanDerWaalsContact O-CB 3.3Å; F129-L142 WeakPolarHBondContact O-CB 3.22Å; F129-L142 PolarHBondContact O-N 3.39Å; V131-L142 HydrophobicContact CG2-CD2 4.24Å; V139-L142 HydrophobicContact CG1-CB 3.87Å; V139-L142 HydrophobicContact CG1-CD1 4.14Å; V139-L142 HydrophobicContact CG1-CD2 4.4Å; V139-L142 HydrophobicContact CG1-CG 4.35Å; K140-L142 VanDerWaalsContact C-N 3.29Å; K140-L142 PolarHBondContact O-N 3.25Å; L142-I144 HydrophobicContact CG-CG1 4.31Å; L142-E156 HydrophobicContact CD1-CG 4.34Å; L142-E156 WeakPolarHBondContact CD1-OE1 3.31Å; L142-E156 HydrophobicContact CD2-CG 4.21Å
143	D	97.8	Very high	96.4	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	21%	0.213	C	C	.	.			trans	-115.1	101.2	172.4	-174.4	-21	0	0	0	109.4	Q125 V128 D141 F145 D146 R147	Q125-D143 WeakPolarHBondContact CA-OD2 3.33Å; Q125-D143 PolarHBondContact N-OD2 3.09Å; Q125-D143 PolarHBondContact NE2-OD2 3.14Å; Q125-D143 VanDerWaalsContact NE2-OD2 3.11Å; V128-D143 HydrophobicContact CG2-CB 4.22Å; D141-D143 PolarHBondContact O-N 2.95Å; D141-D143 VanDerWaalsContact O-N 3.14Å; D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 3.26Å; D143-F145 PolarHBondContact OD1-N 3.06Å; D143-D146 HydrophobicContact CB-CB 3.79Å; D143-D146 PolarHBondContact O-N 2.91Å; D143-D146 PolarHBondContact OD1-N 3.4Å; D143-R147 VanDerWaalsContact O-CG 3.26Å; D143-R147 WeakPolarHBondContact O-CG 3.23Å; D143-R147 PolarHBondContact O-N 2.95Å
144	I	97.2	Very high	96.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-37.6	-174.9	-58.2	154.5	0	0	0	110.6	Y116 E118 F129 L142 R147 V148 H154 K193	Y116-I144 HydrophobicContact CD1-CD1 3.81Å; Y116-I144 HydrophobicContact CD1-CG1 4.42Å; Y116-I144 HydrophobicContact CG-CD1 4.05Å; Y116-I144 HydrophobicContact CG-CG1 4.26Å; E118-I144 HydrophobicContact CB-CB 4.09Å; E118-I144 HydrophobicContact CB-CG2 3.84Å; F129-I144 HydrophobicContact CE1-CD1 4Å; F129-I144 HydrophobicContact CZ-CD1 4.1Å; L142-I144 HydrophobicContact CG-CG1 4.31Å; I144-R147 PolarHBondContact O-N 2.89Å; I144-V148 HydrophobicContact CG2-CG2 4.14Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 2.82Å; I144-V148 VanDerWaalsContact O-N 3.13Å; I144-H154 HydrophobicContact CG2-CB 4.43Å; I144-K193 HydrophobicContact CD1-CG 4.28Å
145	F	96.8	Very high	96.5	Very high	43 Å²	43	40.9 Å²	40.9	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-43.9	178.7	-175.1	-84.8	0	0	0	110.9	E118 F121 A122 S124 D143 R147 G149 H150	E118-F145 HydrophobicContact CB-CB 4.42Å; E118-F145 HydrophobicContact CG-CB 4.1Å; E118-F145 HydrophobicContact CG-CD2 4.37Å; F121-F145 VanDerWaalsContact O-CD2 3.31Å; F121-F145 WeakPolarHBondContact O-CD2 3.28Å; A122-F145 VanDerWaalsContact CA-CE2 3.45Å; A122-F145 WeakPolarHBondContact O-CE2 3.41Å; A122-F145 WeakPolarHBondContact O-CZ 3.38Å; S124-F145 WeakPolarHBondContact OG-CD1 3.41Å; D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 3.26Å; D143-F145 PolarHBondContact OD1-N 3.06Å; F145-R147 PolarHBondContact O-N 3.48Å; F145-G149 WeakPolarHBondContact O-CA 3.43Å; F145-G149 PolarHBondContact O-N 3.29Å; F145-H150 HydrophobicContact CD2-CB 4.38Å; F145-H150 HydrophobicContact CE2-CB 3.98Å
146	D	96.1	Very high	96.6	Very high	102 Å²	102	40 Å²	40	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-31.1	179.6	-163.1	65	0	0	0	112.4	S124 D143	S124-D146 WeakPolarHBondContact CB-OD1 3.45Å; S124-D146 PolarHBondContact OG-OD1 2.83Å; D143-D146 HydrophobicContact CB-CB 3.79Å; D143-D146 PolarHBondContact O-N 2.91Å; D143-D146 PolarHBondContact OD1-N 3.4Å
147	R	94.1	Very high	96.6	Very high	156 Å²	156	41.4 Å²	41.4	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-75.3	-46.5	179.6	-67	-66	-173.1	157.9	5.5	113.8	D143 I144 F145	D143-R147 VanDerWaalsContact O-CG 3.26Å; D143-R147 WeakPolarHBondContact O-CG 3.23Å; D143-R147 PolarHBondContact O-N 2.95Å; I144-R147 PolarHBondContact O-N 2.89Å; F145-R147 PolarHBondContact O-N 3.48Å
148	V	94.7	Very high	96.7	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-135.8	-0.6	-167.8	-61.9	0	0	0	0	114.6	I144 T152 H154	I144-V148 HydrophobicContact CG2-CG2 4.14Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 2.82Å; I144-V148 VanDerWaalsContact O-N 3.13Å; V148-T152 HydrophobicContact CB-CG2 3.8Å; V148-T152 HydrophobicContact CG2-CG2 4.28Å; V148-T152 WeakPolarHBondContact O-CB 3.45Å; V148-T152 PolarHBondContact O-OG1 3.38Å; V148-H154 HydrophobicContact CB-CB 4.45Å; V148-H154 HydrophobicContact CG1-CB 3.82Å; V148-H154 HydrophobicContact CG2-CB 3.79Å
149	G	94.3	Very high	96.7	Very high	22 Å²	22	41.8 Å²	41.8	23%	0.227	21%	0.209	C	C	.	.			trans	73.1	-160.1	-174.9	0	0	0	0	0	113.7	F145	F145-G149 WeakPolarHBondContact O-CA 3.43Å; F145-G149 PolarHBondContact O-N 3.29Å
150	H	94.9	Very high	96.7	Very high	76 Å²	76	41.6 Å²	41.6	35%	0.352	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-86.1	138.6	-176.3	-172.3	-91.5	0	0	0	112	V119 F121 F145 T152	V119-H150 PolarHBondContact O-NE2 2.78Å; F121-H150 PolarHBondContact O-CD2 3.31Å; F145-H150 HydrophobicContact CD2-CB 4.38Å; F145-H150 HydrophobicContact CE2-CB 3.98Å; H150-T152 VanDerWaalsContact C-N 3.27Å; H150-T152 PolarHBondContact O-N 3.4Å; H150-T152 PolarHBondContact O-OG1 2.59Å
151	S	95.6	Very high	96.7	Very high	11 Å²	11	36 Å²	36	8%	0.077	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.1	176.8	-55.9	0	0	0	0	114.1	I77 L78 E118	I77-S151 WeakPolarHBondContact CA-O 3.41Å; L78-S151 PolarHBondContact N-O 2.9Å; E118-S151 PolarHBondContact O-N 3.07Å
152	T	96.3	Very high	96.7	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-121.3	136.6	177.5	-53.6	0	0	0	0	109.6	L78 R79 V148 H150	L78-T152 HydrophobicContact CB-CG2 4.23Å; R79-T152 HydrophobicContact CB-CG2 4.49Å; R79-T152 VanDerWaalsContact CD-CG2 3.48Å; R79-T152 HydrophobicContact CG-CG2 3.85Å; V148-T152 HydrophobicContact CB-CG2 3.8Å; V148-T152 HydrophobicContact CG2-CG2 4.28Å; V148-T152 WeakPolarHBondContact O-CB 3.45Å; V148-T152 PolarHBondContact O-OG1 3.38Å; H150-T152 VanDerWaalsContact C-N 3.27Å; H150-T152 PolarHBondContact O-N 3.4Å; H150-T152 PolarHBondContact O-OG1 2.59Å
153	A	97.5	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.8	175	0	0	0	0	0	111.3	I77 L78 R79 Y88 L210	I77-A153 HydrophobicContact CG2-CB 3.91Å; L78-A153 WeakPolarHBondContact O-CB 3.23Å; L78-A153 PolarHBondContact O-N 3.34Å; R79-A153 HydrophobicContact CB-CB 4.29Å; Y88-A153 HydrophobicContact CD1-CB 3.63Å; Y88-A153 HydrophobicContact CD2-CB 4.28Å; Y88-A153 HydrophobicContact CE1-CB 3.5Å; Y88-A153 HydrophobicContact CE2-CB 4.18Å; Y88-A153 HydrophobicContact CG-CB 4.03Å; A153-L210 HydrophobicContact CB-CD1 4.09Å; A153-L210 HydrophobicContact CB-CD2 3.9Å; A153-L210 WeakPolarHBondContact O-CD1 3.46Å
154	H	97.5	Very high	96.5	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.106	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.6	175.2	-176	56.3	0	0	0	110.3	Y116 I144 V148 E156	Y116-H154 PolarHBondContact N-O 3.3Å; Y116-H154 PolarHBondContact O-N 3.49Å; I144-H154 HydrophobicContact CG2-CB 4.43Å; V148-H154 HydrophobicContact CB-CB 4.45Å; V148-H154 HydrophobicContact CG1-CB 3.82Å; V148-H154 HydrophobicContact CG2-CB 3.79Å; H154-E156 IonicContact CD2-OE1 2.73Å; H154-E156 IonicContact CE1-OE1 3.33Å; H154-E156 IonicContact NE2-OE1 2.95Å; H154-E156 PolarHBondContact NE2-OE1 2.79Å
155	D	97.8	Very high	96.3	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122	179.5	-75.8	19.1	0	0	0	108.8	Y88 V113 M114 K115 L210	Y88-D155 VanDerWaalsContact CE1-OD1 3.28Å; Y88-D155 WeakPolarHBondContact CE1-OD1 3.39Å; Y88-D155 PolarHBondContact OH-OD1 2.87Å; Y88-D155 PolarHBondContact OH-OD2 2.73Å; V113-D155 HydrophobicContact CG1-CB 4.37Å; M114-D155 CarbonylContact O-C 3.6Å; M114-D155 WeakPolarHBondContact O-CA 3.38Å; K115-D155 IonicContact NZ-OD1 2.63Å; K115-D155 IonicContact NZ-OD2 3.76Å; K115-D155 PolarHBondContact NZ-OD2 2.9Å; D155-L210 HydrophobicContact CB-CD1 4.2Å
156	E	97.7	Very high	96.2	Very high	29 Å²	29	52.1 Å²	52.1	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124	166.9	-70.3	-67.4	161.6	0	0	109	V113 M114 Y116 V139 L142 H154	V113-E156 WeakPolarHBondContact CA-O 3.5Å; M114-E156 HydrophobicContact CB-CB 4.49Å; M114-E156 HydrophobicContact CE-CB 3.99Å; M114-E156 PolarHBondContact N-O 2.98Å; M114-E156 PolarHBondContact O-N 2.75Å; Y116-E156 HydrophobicContact CD2-CG 4.18Å; Y116-E156 HydrophobicContact CE2-CB 3.89Å; Y116-E156 HydrophobicContact CE2-CG 3.7Å; V139-E156 HydrophobicContact CG2-CB 4.44Å; V139-E156 HydrophobicContact CG2-CG 4.33Å; L142-E156 HydrophobicContact CD1-CG 4.34Å; L142-E156 WeakPolarHBondContact CD1-OE1 3.31Å; L142-E156 HydrophobicContact CD2-CG 4.21Å; H154-E156 IonicContact CD2-OE1 2.73Å; H154-E156 IonicContact CE1-OE1 3.33Å; H154-E156 IonicContact NE2-OE1 2.95Å; H154-E156 PolarHBondContact NE2-OE1 2.79Å
157	I	97.7	Very high	96.3	Very high	60 Å²	60	47.2 Å²	47.2	31%	0.308	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.7	-174.4	-54.1	168.7	0	0	0	108.9	I111 V113 L204 V207	I111-I157 HydrophobicContact CG2-CG2 3.39Å; V113-I157 HydrophobicContact CG2-CG1 4.43Å; V113-I157 HydrophobicContact CG2-CG2 4.34Å; I157-L204 HydrophobicContact CB-CD1 4.19Å; I157-L204 HydrophobicContact CD1-CD1 4.13Å; I157-L204 HydrophobicContact CG2-CD1 3.49Å; I157-L204 VanDerWaalsContact CG2-CD1 3.49Å; I157-V207 HydrophobicContact CD1-CB 4.39Å; I157-V207 HydrophobicContact CD1-CG1 3.83Å; I157-V207 HydrophobicContact CG1-CG1 4.32Å; I157-V207 HydrophobicContact CG2-CG2 4.16Å
158	V	97.7	Very high	96.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.4	-176.5	-179	0	0	0	0	109.6	L112 M114 V138 V169	L112-V158 HydrophobicContact CB-CB 4.34Å; L112-V158 PolarHBondContact N-O 2.75Å; L112-V158 PolarHBondContact O-N 3.22Å; M114-V158 HydrophobicContact CE-CB 4.47Å; M114-V158 HydrophobicContact CE-CG2 3.63Å; V138-V158 HydrophobicContact CB-CG1 4.02Å; V138-V158 HydrophobicContact CB-CG2 4.17Å; V138-V158 HydrophobicContact CG1-CG1 3.96Å; V138-V158 HydrophobicContact CG2-CG1 4.4Å; V138-V158 HydrophobicContact CG2-CG2 4.05Å; V158-V169 HydrophobicContact CG1-CG2 3.69Å
159	P	97.6	Very high	96.5	Very high	68 Å²	68	41.2 Å²	41.2	44%	0.442	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.5	171	29.4	-32.5	0	0	0	110.9	I111	I111-P159 HydrophobicContact CD1-CB 3.67Å
160	F	97.6	Very high	96.4	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.7	173.1	69	-83.2	0	0	0	110.7	I104 Y110 L112 I162 L167 S168 V169 L180 V199	I104-F160 HydrophobicContact CD1-CE2 3.84Å; I104-F160 HydrophobicContact CD1-CZ 3.77Å; Y110-F160 VanDerWaalsContact CB-CE1 3.48Å; Y110-F160 HydrophobicContact CD2-CD2 4.5Å; Y110-F160 AromaticContact CD2-CE2 3.87Å; Y110-F160 HydrophobicContact CD2-CE2 3.87Å; Y110-F160 HydrophobicContact CD2-CZ 4.27Å; Y110-F160 AromaticContact CG-CE2 3.93Å; Y110-F160 HydrophobicContact CG-CE2 3.93Å; Y110-F160 AromaticContact CG-CZ 3.85Å; Y110-F160 HydrophobicContact CG-CZ 3.85Å; Y110-F160 PolarHBondContact N-O 3Å; Y110-F160 PolarHBondContact O-N 3.21Å; L112-F160 HydrophobicContact CB-CD1 4.35Å; L112-F160 HydrophobicContact CB-CE1 4.02Å; F160-I162 HydrophobicContact CD2-CD1 4.39Å; F160-I162 HydrophobicContact CD2-CG1 4.21Å; F160-I162 HydrophobicContact CE2-CD1 3.83Å; F160-I162 HydrophobicContact CE2-CG1 4.15Å; F160-L167 HydrophobicContact CD2-CD1 4.15Å; F160-L167 HydrophobicContact CD2-CG 4.48Å; F160-S168 CarbonylContact C-O 3.4Å; F160-S168 VanDerWaalsContact CA-O 3.29Å; F160-S168 WeakPolarHBondContact CA-O 3.39Å; F160-S168 WeakPolarHBondContact CB-O 2.95Å; F160-V169 HydrophobicContact CB-CB 4.02Å; F160-V169 HydrophobicContact CB-CG2 4.1Å; F160-L180 HydrophobicContact CD2-CD1 4.42Å; F160-L180 HydrophobicContact CE1-CD2 4.02Å; F160-L180 HydrophobicContact CE2-CD1 4.11Å; F160-L180 HydrophobicContact CE2-CD2 4.25Å; F160-L180 HydrophobicContact CZ-CD1 4.33Å; F160-L180 HydrophobicContact CZ-CD2 3.66Å; F160-V199 HydrophobicContact CE1-CG1 4.13Å; F160-V199 HydrophobicContact CZ-CG1 3.83Å
161	S	97.3	Very high	96.2	Very high	24 Å²	24	45.6 Å²	45.6	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	177.2	61.4	0	0	0	0	111.4	G108 D109 L167 S168	G108-S161 WeakPolarHBondContact O-CA 3.2Å; D109-S161 WeakPolarHBondContact OD1-CB 3.18Å; S161-L167 CarbonylContact O-C 3.6Å; S161-L167 WeakPolarHBondContact O-CA 3.35Å; S161-S168 PolarHBondContact N-O 3.11Å; S161-S168 PolarHBondContact O-N 3.23Å
162	I	97.5	Very high	96.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.7	174.9	-62	166.9	0	0	0	107.7	I104 D107 G108 Y110 F160 K166 F176	I104-I162 HydrophobicContact CB-CD1 4.1Å; I104-I162 HydrophobicContact CD1-CD1 3.91Å; I104-I162 HydrophobicContact CG2-CD1 3.77Å; D107-I162 CarbonylContact C-O 3.55Å; D107-I162 WeakPolarHBondContact CA-O 3.39Å; D107-I162 WeakPolarHBondContact CB-O 3.25Å; G108-I162 PolarHBondContact N-O 2.93Å; G108-I162 PolarHBondContact O-N 3.16Å; Y110-I162 HydrophobicContact CD2-CD1 4.13Å; Y110-I162 HydrophobicContact CD2-CG1 4.43Å; Y110-I162 HydrophobicContact CE2-CB 4.4Å; Y110-I162 HydrophobicContact CE2-CD1 4Å; Y110-I162 HydrophobicContact CE2-CG1 4.47Å; F160-I162 HydrophobicContact CD2-CD1 4.39Å; F160-I162 HydrophobicContact CD2-CG1 4.21Å; F160-I162 HydrophobicContact CE2-CD1 3.83Å; F160-I162 HydrophobicContact CE2-CG1 4.15Å; I162-K166 VanDerWaalsContact CA-O 3.32Å; I162-K166 WeakPolarHBondContact CA-O 3.18Å; I162-F176 HydrophobicContact CD1-CD1 4.04Å; I162-F176 HydrophobicContact CD1-CD2 4.33Å; I162-F176 HydrophobicContact CD1-CE1 3.66Å; I162-F176 HydrophobicContact CD1-CE2 3.99Å; I162-F176 HydrophobicContact CD1-CG 4.37Å; I162-F176 HydrophobicContact CD1-CZ 3.66Å; I162-F176 HydrophobicContact CG1-CD1 4.35Å; I162-F176 HydrophobicContact CG1-CE1 4.45Å; I162-F176 HydrophobicContact CG1-CG 4.42Å; I162-F176 HydrophobicContact CG2-CD1 3.69Å; I162-F176 HydrophobicContact CG2-CE1 4.18Å; I162-F176 HydrophobicContact CG2-CG 4.24Å
163	K	96.2	Very high	96.1	Very high	117 Å²	117	53.9 Å²	53.9	51%	0.509	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.8	-179	-68	176.6	-179.3	157.2	0	109.6	D109 G165 K166	D109-K163 IonicContact OD1-NZ 2.8Å; D109-K163 PolarHBondContact OD1-NZ 2.83Å; D109-K163 VanDerWaalsContact OD1-NZ 3.11Å; D109-K163 IonicContact OD2-NZ 2.6Å; K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.24Å; K163-K166 PolarHBondContact N-O 2.8Å; K163-K166 PolarHBondContact O-N 2.87Å
164	K	94	Very high	96	Very high	196 Å²	196	55 Å²	55	85%	0.852	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.9	177.2	-57.1	179.7	178.9	178.3	0	112.4	D107 K166	D107-K164 PolarHBondContact OD2-N 3.19Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.46Å
165	G	92.6	Very high	95.8	Very high	35 Å²	35	58.8 Å²	58.8	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	18	180	0	0	0	0	0	114.8	K163 F176	K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.24Å; G165-F176 PolarHBondContact O-N 3.34Å
166	K	95.8	Very high	95.7	Very high	127 Å²	127	58.8 Å²	58.8	55%	0.552	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.1	170.9	-62.3	-175.7	179.9	-175.1	0	110	I162 K163 K164 V173 S174	I162-K166 VanDerWaalsContact CA-O 3.32Å; I162-K166 WeakPolarHBondContact CA-O 3.18Å; K163-K166 PolarHBondContact N-O 2.8Å; K163-K166 PolarHBondContact O-N 2.87Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.46Å; K166-V173 HydrophobicContact CB-CG1 4.12Å; K166-V173 HydrophobicContact CD-CG1 4.18Å; K166-S174 CarbonylContact C-O 3.55Å; K166-S174 VanDerWaalsContact CA-O 3.28Å; K166-S174 WeakPolarHBondContact CA-O 3.33Å
167	L	97.3	Very high	95.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.4	171.7	176.7	148.4	0	0	0	108.8	N134 F160 S161 V169 V173 S174 F176 L180	N134-L167 HydrophobicContact CB-CD1 4.19Å; N134-L167 HydrophobicContact CB-CD2 4.24Å; F160-L167 HydrophobicContact CD2-CD1 4.15Å; F160-L167 HydrophobicContact CD2-CG 4.48Å; S161-L167 CarbonylContact O-C 3.6Å; S161-L167 WeakPolarHBondContact O-CA 3.35Å; L167-V169 HydrophobicContact CD2-CB 3.99Å; L167-V169 HydrophobicContact CD2-CG1 3.68Å; L167-V173 CarbonylContact O-C 3.57Å; L167-V173 WeakPolarHBondContact O-CA 3.42Å; L167-S174 PolarHBondContact N-O 2.89Å; L167-S174 PolarHBondContact O-N 3.32Å; L167-F176 HydrophobicContact CB-CB 3.98Å; L167-F176 HydrophobicContact CB-CD2 4.03Å; L167-F176 HydrophobicContact CB-CG 4.31Å; L167-F176 HydrophobicContact CD1-CD2 3.87Å; L167-F176 HydrophobicContact CD1-CE2 4.21Å; L167-L180 HydrophobicContact CD1-CD1 3.29Å
168	S	97.3	Very high	95.2	Very high	38 Å²	38	62.9 Å²	62.9	27%	0.266	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123	173.1	-178.6	0	0	0	0	109.6	F160 S161 E172	F160-S168 CarbonylContact C-O 3.4Å; F160-S168 VanDerWaalsContact CA-O 3.29Å; F160-S168 WeakPolarHBondContact CA-O 3.39Å; F160-S168 WeakPolarHBondContact CB-O 2.95Å; S161-S168 PolarHBondContact N-O 3.11Å; S161-S168 PolarHBondContact O-N 3.23Å; S168-E172 CarbonylContact C-O 3.57Å; S168-E172 VanDerWaalsContact CA-O 3.29Å; S168-E172 WeakPolarHBondContact CA-O 3.41Å
169	V	96.6	Very high	95.2	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.012	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.2	178.6	64.4	0	0	0	0	108.8	H136 V138 V158 F160 L167 G171 E172	H136-V169 HydrophobicContact CB-CG1 3.81Å; V138-V169 HydrophobicContact CG1-CG1 4.41Å; V138-V169 HydrophobicContact CG1-CG2 3.59Å; V158-V169 HydrophobicContact CG1-CG2 3.69Å; F160-V169 HydrophobicContact CB-CB 4.02Å; F160-V169 HydrophobicContact CB-CG2 4.1Å; L167-V169 HydrophobicContact CD2-CB 3.99Å; L167-V169 HydrophobicContact CD2-CG1 3.68Å; V169-G171 PolarHBondContact O-N 3.46Å; V169-E172 PolarHBondContact N-O 3.3Å; V169-E172 PolarHBondContact O-N 2.66Å
170	Q	92.9	Very high	95.2	Very high	119 Å²	119	63.9 Å²	63.9	56%	0.556	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	31	-178.8	-63.3	-174.7	-5.1	0	0	115.6	V138 E172	V138-Q170 PolarHBondContact O-NE2 2.86Å; Q170-E172 VanDerWaalsContact C-N 3.28Å; Q170-E172 PolarHBondContact O-N 3Å
171	G	89.6	Confident	95.2	Very high	70 Å²	70	64.9 Å²	64.9	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-7.8	-178.4	0	0	0	0	0	114.7	V169	V169-G171 PolarHBondContact O-N 3.46Å
172	E	94.3	Very high	95.2	Very high	98 Å²	98	63.8 Å²	63.8	46%	0.458	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138	172.4	-58.6	-168.9	148.3	0	0	110.2	H136 S168 V169 Q170	H136-E172 VanDerWaalsContact CB-OE2 3.25Å; H136-E172 WeakPolarHBondContact CB-OE2 3.38Å; H136-E172 IonicContact CG-OE2 3.69Å; H136-E172 IonicContact ND1-OE2 2.75Å; H136-E172 PolarHBondContact ND1-OE2 2.67Å; S168-E172 CarbonylContact C-O 3.57Å; S168-E172 VanDerWaalsContact CA-O 3.29Å; S168-E172 WeakPolarHBondContact CA-O 3.41Å; V169-E172 PolarHBondContact N-O 3.3Å; V169-E172 PolarHBondContact O-N 2.66Å; Q170-E172 VanDerWaalsContact C-N 3.28Å; Q170-E172 PolarHBondContact O-N 3Å
173	V	95.4	Very high	95.3	Very high	91 Å²	91	67 Å²	67	55%	0.552	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.3	-177.2	-177.4	0	0	0	0	110	K166 L167	K166-V173 HydrophobicContact CB-CG1 4.12Å; K166-V173 HydrophobicContact CD-CG1 4.18Å; L167-V173 CarbonylContact O-C 3.57Å; L167-V173 WeakPolarHBondContact O-CA 3.42Å
174	S	94.9	Very high	95.4	Very high	23 Å²	23	61.4 Å²	61.4	16%	0.161	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.8	178.2	54.7	0	0	0	0	112.5	N134 H136 K166 L167	N134-S174 PolarHBondContact ND2-OG 3.18Å; H136-S174 WeakPolarHBondContact NE2-CB 3.33Å; H136-S174 PolarHBondContact NE2-OG 2.8Å; K166-S174 CarbonylContact C-O 3.55Å; K166-S174 VanDerWaalsContact CA-O 3.28Å; K166-S174 WeakPolarHBondContact CA-O 3.33Å; L167-S174 PolarHBondContact N-O 2.89Å; L167-S174 PolarHBondContact O-N 3.32Å
175	T	94.7	Very high	95.6	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.4	171.6	49.2	0	0	0	0	110.3	N134	N134-T175 PolarHBondContact ND2-O 3.44Å
176	F	95.6	Very high	95.8	Very high	21 Å²	21	55.1 Å²	55.1	9%	0.092	31%	0.308	C	S	.	.			trans	-108.5	124.1	179	-174	-109.6	0	0	0	111	I104 I162 G165 L167 G178 K179 L180	I104-F176 HydrophobicContact CB-CE1 4.19Å; I104-F176 HydrophobicContact CB-CZ 3.82Å; I104-F176 HydrophobicContact CD1-CZ 4.5Å; I104-F176 HydrophobicContact CG1-CZ 4.33Å; I104-F176 WeakPolarHBondContact O-CE1 3.43Å; I162-F176 HydrophobicContact CD1-CD1 4.04Å; I162-F176 HydrophobicContact CD1-CD2 4.33Å; I162-F176 HydrophobicContact CD1-CE1 3.66Å; I162-F176 HydrophobicContact CD1-CE2 3.99Å; I162-F176 HydrophobicContact CD1-CG 4.37Å; I162-F176 HydrophobicContact CD1-CZ 3.66Å; I162-F176 HydrophobicContact CG1-CD1 4.35Å; I162-F176 HydrophobicContact CG1-CE1 4.45Å; I162-F176 HydrophobicContact CG1-CG 4.42Å; I162-F176 HydrophobicContact CG2-CD1 3.69Å; I162-F176 HydrophobicContact CG2-CE1 4.18Å; I162-F176 HydrophobicContact CG2-CG 4.24Å; G165-F176 PolarHBondContact O-N 3.34Å; L167-F176 HydrophobicContact CB-CB 3.98Å; L167-F176 HydrophobicContact CB-CD2 4.03Å; L167-F176 HydrophobicContact CB-CG 4.31Å; L167-F176 HydrophobicContact CD1-CD2 3.87Å; L167-F176 HydrophobicContact CD1-CE2 4.21Å; F176-G178 VanDerWaalsContact CZ-C 3.48Å; F176-K179 VanDerWaalsContact CE2-C 3.46Å; F176-K179 WeakPolarHBondContact CE2-O 3.42Å; F176-L180 HydrophobicContact CE2-CB 4.23Å
177	N	92.3	Very high	95.6	Very high	143 Å²	143	50.3 Å²	50.3	77%	0.765	30%	0.295	S	S	*	.			trans	-105.7	26.9	-173.6	-63.9	-22.3	0	0	0	112.9	K179	N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 2.82Å
178	G	93.2	Very high	95.4	Very high	33 Å²	33	60.7 Å²	60.7	34%	0.34	34%	0.335	S	S	.	.	S	Bend	trans	80.1	2.2	-179.5	0	0	0	0	0	115	I104 F176	I104-G178 PolarHBondContact N-O 3.27Å; I104-G178 CarbonylContact O-C 3.52Å; I104-G178 WeakPolarHBondContact O-CA 3.31Å; I104-G178 VanDerWaalsContact O-O 3.14Å; F176-G178 VanDerWaalsContact CZ-C 3.48Å
179	K	96.2	Very high	95.2	Very high	91 Å²	91	64 Å²	64	40%	0.396	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.4	-179.5	-167.4	-176.1	79.2	157.8	0	109.3	D101 V102 F176 N177	D101-K179 HydrophobicContact CB-CD 3.73Å; D101-K179 HydrophobicContact CB-CG 4Å; D101-K179 VanDerWaalsContact CG-CD 3.46Å; D101-K179 VanDerWaalsContact CG-CE 3.41Å; D101-K179 WeakPolarHBondContact OD1-CE 3.5Å; D101-K179 IonicContact OD1-NZ 3.75Å; D101-K179 PolarHBondContact OD1-NZ 2.96Å; D101-K179 WeakPolarHBondContact OD2-CE 3.41Å; D101-K179 IonicContact OD2-NZ 3.57Å; D101-K179 PolarHBondContact OD2-NZ 3.3Å; V102-K179 CarbonylContact O-C 3.49Å; V102-K179 WeakPolarHBondContact O-CA 3.45Å; F176-K179 VanDerWaalsContact CE2-C 3.46Å; F176-K179 WeakPolarHBondContact CE2-O 3.42Å; N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 2.82Å
180	L	97.5	Very high	95.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.5	171.9	-177.4	78.8	0	0	0	108.2	V102 I104 V133 F160 L167 F176 V182 V199	V102-L180 HydrophobicContact CB-CB 4.17Å; V102-L180 PolarHBondContact N-O 3.29Å; V102-L180 PolarHBondContact O-N 3.25Å; I104-L180 HydrophobicContact CD1-CB 3.85Å; I104-L180 HydrophobicContact CD1-CD2 4.09Å; I104-L180 HydrophobicContact CD1-CG 4.48Å; I104-L180 HydrophobicContact CG1-CB 4.38Å; V133-L180 HydrophobicContact CG1-CD1 3.46Å; V133-L180 VanDerWaalsContact CG1-CD1 3.46Å; V133-L180 HydrophobicContact CG1-CG 4.16Å; F160-L180 HydrophobicContact CD2-CD1 4.42Å; F160-L180 HydrophobicContact CE1-CD2 4.02Å; F160-L180 HydrophobicContact CE2-CD1 4.11Å; F160-L180 HydrophobicContact CE2-CD2 4.25Å; F160-L180 HydrophobicContact CZ-CD1 4.33Å; F160-L180 HydrophobicContact CZ-CD2 3.66Å; L167-L180 HydrophobicContact CD1-CD1 3.29Å; F176-L180 HydrophobicContact CE2-CB 4.23Å; L180-V182 HydrophobicContact CD2-CG2 4.16Å; L180-V182 HydrophobicContact CG-CG2 4.35Å; L180-V199 HydrophobicContact CD2-CG2 4.23Å
181	T	97.8	Very high	95.3	Very high	30 Å²	30	61.5 Å²	61.5	18%	0.184	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.7	172.2	62.7	0	0	0	0	108.9	D101 V133 N134	D101-T181 WeakPolarHBondContact OD1-CG2 3.14Å; V133-T181 CarbonylContact C-O 3.58Å; V133-T181 VanDerWaalsContact CA-O 3.31Å; V133-T181 WeakPolarHBondContact CA-O 3.4Å; N134-T181 VanDerWaalsContact CA-OG1 3.29Å; N134-T181 WeakPolarHBondContact CA-OG1 3.42Å; N134-T181 PolarHBondContact N-O 2.78Å; N134-T181 PolarHBondContact N-OG1 3.31Å
182	V	98.3	Very high	95.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114	172	-176.3	0	0	0	0	107.1	G99 Y100 L112 M114 V131 R132 L180 F184	G99-V182 CarbonylContact C-O 3.53Å; G99-V182 WeakPolarHBondContact CA-O 3.36Å; Y100-V182 PolarHBondContact N-O 2.84Å; Y100-V182 PolarHBondContact O-N 3.07Å; L112-V182 HydrophobicContact CD1-CG2 4.2Å; L112-V182 HydrophobicContact CD2-CG1 4Å; L112-V182 HydrophobicContact CD2-CG2 3.7Å; M114-V182 HydrophobicContact SD-CG1 4.06Å; V131-V182 HydrophobicContact CG1-CG1 4.42Å; R132-V182 CarbonylContact O-C 3.56Å; R132-V182 WeakPolarHBondContact O-CA 3.41Å; L180-V182 HydrophobicContact CD2-CG2 4.16Å; L180-V182 HydrophobicContact CG-CG2 4.35Å; V182-F184 HydrophobicContact CG1-CE1 4.45Å; V182-F184 HydrophobicContact CG1-CZ 4.07Å
183	E	98.3	Very high	95.9	Very high	68 Å²	68	53.5 Å²	53.5	32%	0.318	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.1	-174.5	-60.2	176.3	110.3	0	0	110.6	T97 F98 V131 R132 V185	T97-E183 HydrophobicContact CG2-CB 4.42Å; F98-E183 CarbonylContact O-C 3.57Å; F98-E183 WeakPolarHBondContact O-CA 3.3Å; V131-E183 CarbonylContact C-O 3.57Å; V131-E183 WeakPolarHBondContact CA-O 3.45Å; R132-E183 HydrophobicContact CB-CB 4.3Å; R132-E183 PolarHBondContact N-O 2.65Å; R132-E183 PolarHBondContact O-N 3.17Å; E183-V185 HydrophobicContact CB-CG2 4.47Å
184	F	98.4	Very high	96.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.5	170.2	-47.6	-82.2	0	0	0	107.5	T97 F98 Y100 M114 Y116 F129 V131 V182 P192 V194	T97-F184 WeakPolarHBondContact CA-O 3.34Å; F98-F184 HydrophobicContact CD1-CB 4.33Å; F98-F184 HydrophobicContact CD2-CD2 4.15Å; F98-F184 HydrophobicContact CE1-CB 3.95Å; F98-F184 HydrophobicContact CE1-CD2 4.13Å; F98-F184 HydrophobicContact CE1-CG 4.37Å; F98-F184 AromaticContact CE2-CD2 3.68Å; F98-F184 HydrophobicContact CE2-CD2 3.68Å; F98-F184 HydrophobicContact CE2-CE2 4.15Å; F98-F184 HydrophobicContact CZ-CB 4.28Å; F98-F184 AromaticContact CZ-CD2 3.68Å; F98-F184 HydrophobicContact CZ-CD2 3.68Å; F98-F184 HydrophobicContact CZ-CE2 4.4Å; F98-F184 HydrophobicContact CZ-CG 4.2Å; F98-F184 PolarHBondContact N-O 3.16Å; F98-F184 PolarHBondContact O-N 2.71Å; Y100-F184 AromaticContact CD2-CE2 3.74Å; Y100-F184 HydrophobicContact CD2-CE2 3.74Å; Y100-F184 HydrophobicContact CD2-CZ 4.42Å; Y100-F184 AromaticContact CE2-CE2 3.75Å; Y100-F184 HydrophobicContact CE2-CE2 3.75Å; Y100-F184 HydrophobicContact CE2-CZ 4.48Å; M114-F184 HydrophobicContact SD-CE1 4.14Å; Y116-F184 HydrophobicContact CE1-CE1 4.45Å; Y116-F184 WeakPolarHBondContact OH-CE1 3.16Å; F129-F184 HydrophobicContact CD2-CB 4.47Å; F129-F184 HydrophobicContact CE2-CD1 4.22Å; V131-F184 HydrophobicContact CG1-CD1 4.36Å; V131-F184 HydrophobicContact CG1-CE1 4.35Å; V131-F184 HydrophobicContact CG2-CD1 4.1Å; V182-F184 HydrophobicContact CG1-CE1 4.45Å; V182-F184 HydrophobicContact CG1-CZ 4.07Å; F184-P192 HydrophobicContact CB-CB 3.65Å; F184-P192 HydrophobicContact CB-CG 4.47Å; F184-V194 HydrophobicContact CD1-CB 4.44Å; F184-V194 HydrophobicContact CD2-CG1 4.27Å; F184-V194 HydrophobicContact CE1-CB 3.84Å; F184-V194 HydrophobicContact CE1-CG1 4.27Å; F184-V194 HydrophobicContact CE1-CG2 4.09Å; F184-V194 HydrophobicContact CE2-CB 4.11Å; F184-V194 HydrophobicContact CE2-CG1 3.61Å; F184-V194 HydrophobicContact CZ-CB 3.65Å; F184-V194 HydrophobicContact CZ-CG1 3.6Å; F184-V194 HydrophobicContact CZ-CG2 3.85Å
185	V	98.3	Very high	96.2	Very high	17 Å²	17	48.1 Å²	48.1	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.3	-168.6	-178.3	0	0	0	0	109.8	T97 F129 D130 R132 E183 G187	T97-V185 HydrophobicContact CG2-CB 4.46Å; T97-V185 HydrophobicContact CG2-CG2 4.18Å; T97-V185 WeakPolarHBondContact OG1-CA 3.32Å; F129-V185 WeakPolarHBondContact CB-O 3.43Å; D130-V185 HydrophobicContact CB-CB 4.15Å; D130-V185 PolarHBondContact N-O 2.94Å; D130-V185 PolarHBondContact O-N 2.94Å; R132-V185 HydrophobicContact CB-CG2 4.42Å; R132-V185 HydrophobicContact CG-CG2 3.77Å; E183-V185 HydrophobicContact CB-CG2 4.47Å; V185-G187 PolarHBondContact O-N 2.87Å
186	K	96.4	Very high	96.4	Very high	82 Å²	82	43.1 Å²	43.1	36%	0.357	21%	0.213	S	C	.	.			trans	-62.9	122.1	177.1	174.2	159.3	179.5	150.4	0	111.4	E95 T97 N191 P192	E95-K186 WeakPolarHBondContact O-CD 3.45Å; E95-K186 WeakPolarHBondContact O-CE 3.47Å; E95-K186 PolarHBondContact O-NZ 2.6Å; T97-K186 PolarHBondContact OG1-N 3.18Å; T97-K186 VanDerWaalsContact OG1-N 3.11Å; K186-N191 PolarHBondContact NZ-OD1 3.32Å; K186-P192 HydrophobicContact CB-CG 4.34Å
187	G	92.7	Very high	96.6	Very high	26 Å²	26	42.1 Å²	42.1	27%	0.268	21%	0.208	S	C	.	.			trans	-85.5	-170.9	170	0	0	0	0	0	112.9	V185	V185-G187 PolarHBondContact O-N 2.87Å
188	Y	92.6	Very high	96.8	Very high	218 Å²	218	35.4 Å²	35.4	86%	0.855	17%	0.172	S	C	*	.	S	Bend	trans	-76.7	-24.4	177.3	-178.8	-102	0	0	0	113.6
189	Y	93.4	Very high	97.1	Very high	109 Å²	109	33.9 Å²	33.9	43%	0.427	16%	0.156	S	C	.	.	S	Bend	trans	-82.1	-129.3	-178.2	-63.9	-85.8	0	0	0	110.1	Q125 V128	Q125-Y189 HydrophobicContact CB-CE1 4.3Å; Q125-Y189 WeakPolarHBondContact O-CD1 3.29Å; Q125-Y189 WeakPolarHBondContact O-CE1 3.29Å; Q125-Y189 PolarHBondContact OE1-OH 2.92Å; V128-Y189 HydrophobicContact CB-CD2 3.55Å; V128-Y189 HydrophobicContact CB-CE2 4.02Å; V128-Y189 HydrophobicContact CB-CG 4.22Å; V128-Y189 HydrophobicContact CG1-CD2 4.45Å; V128-Y189 HydrophobicContact CG2-CD2 3.69Å; V128-Y189 HydrophobicContact CG2-CE2 3.86Å; V128-Y189 HydrophobicContact CG2-CG 4.12Å
190	D	95.6	Very high	97.1	Very high	47 Å²	47	29.5 Å²	29.5	25%	0.251	14%	0.137	S	C	.	.	S	Bend	trans	-88.3	177.5	178.9	-163.1	40.6	0	0	0	113.9	F121 Q126 K127	F121-D190 HydrophobicContact CE2-CB 3.84Å; F121-D190 WeakPolarHBondContact CE2-OD2 3.3Å; F121-D190 HydrophobicContact CZ-CB 3.95Å; F121-D190 WeakPolarHBondContact CZ-OD2 3.5Å; Q126-D190 VanDerWaalsContact O-CB 3.31Å; Q126-D190 WeakPolarHBondContact O-CB 3.39Å; Q126-D190 PolarHBondContact O-N 3Å; K127-D190 HydrophobicContact CB-CB 4.17Å; K127-D190 HydrophobicContact CG-CB 4.31Å; K127-D190 IonicContact NZ-OD2 3.97Å; K127-D190 PolarHBondContact NZ-OD2 3.28Å
191	N	96.9	Very high	97	Very high	21 Å²	21	34 Å²	34	11%	0.112	16%	0.157	C	C	.	.			trans	-63.3	137.3	-173.8	-64.7	-29.1	0	0	0	113.7	Y93 N94 E95 K127 K186	Y93-N191 HydrophobicContact CD2-CB 4.14Å; N94-N191 WeakPolarHBondContact O-CB 3.3Å; E95-N191 WeakPolarHBondContact CA-OD1 3.18Å; K127-N191 PolarHBondContact NZ-O 2.82Å; K127-N191 VanDerWaalsContact NZ-O 3.11Å; K186-N191 PolarHBondContact NZ-OD1 3.32Å
192	P	97.9	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.			trans	-61.7	149	171	25.6	-33.1	0	0	0	110.6	Y93 N94 F98 F129 F184 K186	Y93-P192 WeakPolarHBondContact CA-O 3.37Å; Y93-P192 WeakPolarHBondContact CB-O 3.16Å; N94-P192 PolarHBondContact N-O 2.86Å; N94-P192 WeakPolarHBondContact O-CD 3.48Å; F98-P192 HydrophobicContact CD1-CG 4.09Å; F98-P192 HydrophobicContact CE1-CB 4.02Å; F98-P192 HydrophobicContact CE1-CG 3.94Å; F98-P192 WeakPolarHBondContact CE1-O 3.31Å; F129-P192 HydrophobicContact CB-CB 3.92Å; F129-P192 HydrophobicContact CD2-CB 3.91Å; F129-P192 HydrophobicContact CG-CB 3.88Å; F184-P192 HydrophobicContact CB-CB 3.65Å; F184-P192 HydrophobicContact CB-CG 4.47Å; K186-P192 HydrophobicContact CB-CG 4.34Å
193	K	98.1	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.2	179.3	75	-168.5	-168.3	80.5	0	112.2	E91 R92 Y116 A117 E118 K127 F129 I144	E91-K193 WeakPolarHBondContact OE2-CD 3.35Å; E91-K193 IonicContact OE2-NZ 2.67Å; E91-K193 PolarHBondContact OE2-NZ 3.28Å; R92-K193 CarbonylContact O-C 3.54Å; R92-K193 WeakPolarHBondContact O-CA 3.17Å; Y116-K193 WeakPolarHBondContact CE1-O 3.46Å; A117-K193 PolarHBondContact O-NZ 3.37Å; E118-K193 WeakPolarHBondContact OE2-CE 3.36Å; K127-K193 HydrophobicContact CD-CD 3.61Å; K127-K193 HydrophobicContact CD-CG 4.15Å; F129-K193 HydrophobicContact CE1-CG 4.44Å; F129-K193 VanDerWaalsContact CZ-O 3.31Å; F129-K193 WeakPolarHBondContact CZ-O 3.31Å; I144-K193 HydrophobicContact CD1-CG 4.28Å
194	V	98.6	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	146.7	169	62.6	0	0	0	0	109.6	A43 E91 R92 F98 Y100 Y116 F184 A196 L197	A43-V194 HydrophobicContact CB-CG1 3.85Å; A43-V194 WeakPolarHBondContact CB-O 3.38Å; E91-V194 WeakPolarHBondContact CA-O 3.31Å; R92-V194 PolarHBondContact N-O 2.89Å; R92-V194 PolarHBondContact O-N 2.84Å; F98-V194 HydrophobicContact CE2-CG1 4.34Å; F98-V194 HydrophobicContact CZ-CG1 4.36Å; Y100-V194 HydrophobicContact CE2-CG1 3.84Å; Y116-V194 HydrophobicContact CD1-CG2 4.48Å; Y116-V194 HydrophobicContact CE1-CB 3.99Å; Y116-V194 HydrophobicContact CE1-CG2 4Å; F184-V194 HydrophobicContact CD1-CB 4.44Å; F184-V194 HydrophobicContact CD2-CG1 4.27Å; F184-V194 HydrophobicContact CE1-CB 3.84Å; F184-V194 HydrophobicContact CE1-CG1 4.27Å; F184-V194 HydrophobicContact CE1-CG2 4.09Å; F184-V194 HydrophobicContact CE2-CB 4.11Å; F184-V194 HydrophobicContact CE2-CG1 3.61Å; F184-V194 HydrophobicContact CZ-CB 3.65Å; F184-V194 HydrophobicContact CZ-CG1 3.6Å; F184-V194 HydrophobicContact CZ-CG2 3.85Å; V194-A196 WeakPolarHBondContact CG2-O 3.31Å; V194-L197 HydrophobicContact CG1-CD2 4.32Å; V194-L197 HydrophobicContact CG2-CD2 4.26Å
195	C	98.5	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-94.1	-47.9	179.7	-58.2	0	0	0	0	111.9	N42 A43 L87 T90 K115 A117	N42-C195 PolarHBondContact OD1-O 3.26Å; A43-C195 WeakPolarHBondContact CA-O 3.23Å; A43-C195 VanDerWaalsContact CB-O 3.29Å; A43-C195 WeakPolarHBondContact CB-O 3.18Å; A43-C195 PolarHBondContact N-O 2.95Å; L87-C195 CarbonylContact O-C 3.34Å; L87-C195 WeakPolarHBondContact O-CB 3.49Å; T90-C195 WeakPolarHBondContact O-CA 3.43Å; T90-C195 VanDerWaalsContact O-CB 3.25Å; T90-C195 WeakPolarHBondContact O-CB 2.87Å; K115-C195 VanDerWaalsContact O-CB 3.32Å; K115-C195 WeakPolarHBondContact O-CB 3.39Å; K115-C195 PolarHBondContact O-N 2.79Å; A117-C195 PolarHBondContact N-SG 3.2Å
196	A	98.4	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162.1	172.9	0	0	0	0	0	109.8	V41 F56 L87 K115 V194	V41-A196 WeakPolarHBondContact O-CA 3.41Å; F56-A196 HydrophobicContact CD1-CB 4.13Å; F56-A196 HydrophobicContact CE1-CB 3.97Å; L87-A196 HydrophobicContact CB-CB 4.16Å; L87-A196 HydrophobicContact CD2-CB 4.19Å; K115-A196 HydrophobicContact CB-CB 4.15Å; K115-A196 HydrophobicContact CD-CB 4.2Å; K115-A196 PolarHBondContact N-O 2.76Å; K115-A196 PolarHBondContact O-N 3.03Å; V194-A196 WeakPolarHBondContact CG2-O 3.31Å
197	L	98.4	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149	173.5	62.5	155.7	0	0	0	111	W39 A40 V41 Y100 L112 V113 M114 V194	W39-L197 HydrophobicContact CH2-CD1 4.02Å; W39-L197 HydrophobicContact CH2-CG 4.16Å; W39-L197 HydrophobicContact CZ3-CD1 3.61Å; W39-L197 HydrophobicContact CZ3-CG 3.68Å; A40-L197 WeakPolarHBondContact CA-O 3.38Å; V41-L197 HydrophobicContact CB-CD2 4.48Å; V41-L197 PolarHBondContact N-O 3.41Å; V41-L197 PolarHBondContact O-N 3.24Å; Y100-L197 HydrophobicContact CD2-CD1 3.78Å; Y100-L197 HydrophobicContact CD2-CD2 3.74Å; Y100-L197 HydrophobicContact CD2-CG 4.43Å; Y100-L197 HydrophobicContact CE2-CD1 4.47Å; Y100-L197 HydrophobicContact CE2-CD2 3.59Å; Y100-L197 HydrophobicContact CG-CD1 4.16Å; Y100-L197 HydrophobicContact CG-CD2 4.34Å; L112-L197 HydrophobicContact CD1-CD1 4.49Å; V113-L197 CarbonylContact O-C 3.36Å; V113-L197 WeakPolarHBondContact O-CA 3.44Å; M114-L197 HydrophobicContact CG-CB 4.11Å; V194-L197 HydrophobicContact CG1-CD2 4.32Å; V194-L197 HydrophobicContact CG2-CD2 4.26Å
198	Y	98.2	Very high	95	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.7	173.3	69.5	-91.9	0	0	0	111.6	V37 W39 I54 F56 V113 M200	V37-Y198 HydrophobicContact CG2-CD2 4.13Å; W39-Y198 CarbonylContact O-C 3.57Å; W39-Y198 WeakPolarHBondContact O-CA 3.32Å; W39-Y198 WeakPolarHBondContact O-CB 3.16Å; I54-Y198 HydrophobicContact CD1-CD2 4.44Å; I54-Y198 HydrophobicContact CD1-CE1 4.41Å; I54-Y198 HydrophobicContact CD1-CE2 4.2Å; F56-Y198 AromaticContact CE1-CD1 3.92Å; F56-Y198 HydrophobicContact CE1-CD1 3.92Å; F56-Y198 HydrophobicContact CE1-CG 4.47Å; F56-Y198 AromaticContact CZ-CD1 3.66Å; F56-Y198 HydrophobicContact CZ-CD1 3.66Å; F56-Y198 HydrophobicContact CZ-CE1 4.34Å; F56-Y198 HydrophobicContact CZ-CG 4.35Å; V113-Y198 HydrophobicContact CB-CD1 3.95Å; V113-Y198 HydrophobicContact CB-CD2 4.41Å; V113-Y198 HydrophobicContact CB-CE1 3.47Å; V113-Y198 VanDerWaalsContact CB-CE1 3.47Å; V113-Y198 HydrophobicContact CB-CE2 3.96Å; V113-Y198 HydrophobicContact CB-CG 4.41Å; V113-Y198 VanDerWaalsContact CB-CZ 3.48Å; V113-Y198 HydrophobicContact CG1-CD1 4.33Å; V113-Y198 HydrophobicContact CG1-CE1 3.59Å; V113-Y198 HydrophobicContact CG2-CE1 4.05Å; V113-Y198 HydrophobicContact CG2-CE2 3.77Å; V113-Y198 VanDerWaalsContact CG2-CZ 3.5Å; V113-Y198 WeakPolarHBondContact CG2-OH 3.34Å; V113-Y198 PolarHBondContact N-O 3.4Å; V113-Y198 PolarHBondContact O-N 2.98Å; Y198-M200 HydrophobicContact CD2-CB 4.32Å; Y198-M200 HydrophobicContact CD2-CG 4.4Å; Y198-M200 HydrophobicContact CE2-CB 4.3Å; Y198-M200 HydrophobicContact CE2-CG 3.99Å; Y198-M200 HydrophobicContact CE2-SD 3.82Å
199	V	98.1	Very high	94.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.9	174.9	-178.7	0	0	0	0	108.2	I38 W39 V102 I104 Y110 I111 L112 F160 L180	I38-V199 HydrophobicContact CD1-CB 4.36Å; I38-V199 HydrophobicContact CD1-CG1 3.79Å; I38-V199 HydrophobicContact CG1-CB 4.02Å; I38-V199 HydrophobicContact CG1-CG1 3.86Å; I38-V199 WeakPolarHBondContact CG1-O 3.43Å; I38-V199 PolarHBondContact N-O 2.78Å; W39-V199 PolarHBondContact N-O 3.32Å; W39-V199 PolarHBondContact O-N 3.39Å; V102-V199 HydrophobicContact CG1-CB 4.39Å; V102-V199 HydrophobicContact CG1-CG2 4.09Å; V102-V199 HydrophobicContact CG2-CG2 4.23Å; I104-V199 HydrophobicContact CD1-CG1 4.33Å; Y110-V199 HydrophobicContact CD1-CG1 4.24Å; I111-V199 WeakPolarHBondContact O-CA 3.26Å; L112-V199 HydrophobicContact CD1-CG2 3.74Å; F160-V199 HydrophobicContact CE1-CG1 4.13Å; F160-V199 HydrophobicContact CZ-CG1 3.83Å; L180-V199 HydrophobicContact CD2-CG2 4.23Å
200	M	96.4	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.8	178.4	65.2	173.7	-71.2	0	0	111.7	L33 R36 V37 Y110 I111 Y198 D206 V207	L33-M200 HydrophobicContact CD1-CE 3.39Å; L33-M200 HydrophobicContact CD1-SD 3.85Å; R36-M200 HydrophobicContact CB-CE 4.49Å; R36-M200 CarbonylContact O-C 3.54Å; R36-M200 VanDerWaalsContact O-CA 3.31Å; R36-M200 WeakPolarHBondContact O-CA 3.41Å; V37-M200 HydrophobicContact CG2-CB 3.97Å; Y110-M200 CarbonylContact C-O 3.59Å; Y110-M200 VanDerWaalsContact CA-O 3.23Å; Y110-M200 WeakPolarHBondContact CA-O 3.05Å; I111-M200 HydrophobicContact CB-CG 3.99Å; I111-M200 PolarHBondContact N-O 3.32Å; I111-M200 PolarHBondContact O-N 3.13Å; Y198-M200 HydrophobicContact CD2-CB 4.32Å; Y198-M200 HydrophobicContact CD2-CG 4.4Å; Y198-M200 HydrophobicContact CE2-CB 4.3Å; Y198-M200 HydrophobicContact CE2-CG 3.99Å; Y198-M200 HydrophobicContact CE2-SD 3.82Å; M200-D206 HydrophobicContact CE-CB 3.67Å; M200-V207 HydrophobicContact SD-CG2 4.38Å
201	K	95.9	Very high	94.6	Very high	95 Å²	95	43.5 Å²	43.5	41%	0.413	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.9	170.9	-169.2	171.8	-175.7	165.4	0	109.8	R36 Y110	R36-K201 PolarHBondContact O-N 3.34Å; Y110-K201 HydrophobicContact CD1-CB 4.15Å; Y110-K201 HydrophobicContact CE1-CB 4.05Å; Y110-K201 HydrophobicContact CE1-CG 4.29Å
202	G	93.2	Very high	94.1	Very high	15 Å²	15	47.3 Å²	47.3	16%	0.155	24%	0.243	C	C	.	.	S	Bend	trans	148.9	-164.9	-177.7	0	0	0	0	0	113.7	D109 D206	D109-G202 PolarHBondContact O-N 3.21Å; G202-D206 WeakPolarHBondContact CA-OD2 3.5Å
203	T	91.7	Very high	93.1	Very high	71 Å²	71	49.9 Å²	49.9	44%	0.436	26%	0.255	S	S	.	.			trans	-113.4	175.5	178.5	65.8	0	0	0	0	110.8	E205 D206	T203-E205 PolarHBondContact O-N 3.02Å; T203-D206 PolarHBondContact N-OD2 3.43Å; T203-D206 WeakPolarHBondContact O-CB 3.35Å; T203-D206 PolarHBondContact O-N 3.35Å; T203-D206 PolarHBondContact OG1-OD2 2.67Å
204	L	91.3	Very high	91.8	Very high	105 Å²	105	53.8 Å²	53.8	55%	0.55	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.4	-31.5	-178.5	-179.3	62.1	0	0	0	113.1	I157 D206 V207	I157-L204 HydrophobicContact CB-CD1 4.19Å; I157-L204 HydrophobicContact CD1-CD1 4.13Å; I157-L204 HydrophobicContact CG2-CD1 3.49Å; I157-L204 VanDerWaalsContact CG2-CD1 3.49Å; L204-D206 PolarHBondContact O-N 3.19Å; L204-V207 PolarHBondContact O-N 3.11Å
205	E	90	Very high	90.2	Very high	180 Å²	180	57.5 Å²	57.5	84%	0.841	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.1	-178.7	-65.5	164.2	-152.5	0	0	112.7	T203 V207	T203-E205 PolarHBondContact O-N 3.02Å; E205-V207 VanDerWaalsContact C-N 3.33Å
206	D	89.4	Confident	88.2	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-80.3	-15.1	-178.4	-65.8	-61.3	0	0	0	114	L33 R36 M200 G202 T203 L204 P208	L33-D206 WeakPolarHBondContact CD1-O 3.19Å; R36-D206 IonicContact CZ-OD1 2.95Å; R36-D206 VanDerWaalsContact CZ-OD1 3.3Å; R36-D206 IonicContact CZ-OD2 2.71Å; R36-D206 IonicContact NH1-OD1 2.87Å; R36-D206 PolarHBondContact NH1-OD1 2.76Å; R36-D206 IonicContact NH1-OD2 3.3Å; R36-D206 PolarHBondContact NH1-OD2 3.36Å; R36-D206 IonicContact NH2-OD1 3.85Å; R36-D206 PolarHBondContact NH2-OD1 3.05Å; M200-D206 HydrophobicContact CE-CB 3.67Å; G202-D206 WeakPolarHBondContact CA-OD2 3.5Å; T203-D206 PolarHBondContact N-OD2 3.43Å; T203-D206 WeakPolarHBondContact O-CB 3.35Å; T203-D206 PolarHBondContact O-N 3.35Å; T203-D206 PolarHBondContact OG1-OD2 2.67Å; L204-D206 PolarHBondContact O-N 3.19Å; D206-P208 WeakPolarHBondContact O-CD 3.41Å
207	V	91.3	Very high	85.9	Confident	8 Å²	8	70.9 Å²	70.9	5%	0.048	38%	0.384	C	S	.	.	S	Bend	trans	-77.3	125.8	-173.8	-178.3	0	0	0	0	109.7	I111 V113 I157 M200 L204 E205 K209	I111-V207 HydrophobicContact CB-CG2 4.39Å; I111-V207 HydrophobicContact CG1-CG2 4.41Å; I111-V207 HydrophobicContact CG2-CG2 3.76Å; V113-V207 HydrophobicContact CG2-CG1 3.89Å; V113-V207 HydrophobicContact CG2-CG2 4.21Å; I157-V207 HydrophobicContact CD1-CB 4.39Å; I157-V207 HydrophobicContact CD1-CG1 3.83Å; I157-V207 HydrophobicContact CG1-CG1 4.32Å; I157-V207 HydrophobicContact CG2-CG2 4.16Å; M200-V207 HydrophobicContact SD-CG2 4.38Å; L204-V207 PolarHBondContact O-N 3.11Å; E205-V207 VanDerWaalsContact C-N 3.33Å; V207-K209 PolarHBondContact O-N 3.14Å
208	P	90.9	Very high	83.6	Confident	31 Å²	31	79 Å²	79	20%	0.201	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57	129.3	173	-25.3	34.5	0	0	0	111.7	L33 H52 D206	L33-P208 HydrophobicContact CD2-CG 3.26Å; H52-P208 WeakPolarHBondContact NE2-CB 3.33Å; D206-P208 WeakPolarHBondContact O-CD 3.41Å
209	K	91.2	Very high	80.8	Confident	199 Å²	199	85 Å²	85	87%	0.865	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-85.1	138.6	179.4	-63.8	-176.6	-178.8	179.4	0	110.5	V207	V207-K209 PolarHBondContact O-N 3.14Å
210	L	91.9	Very high	78.2	Confident	36 Å²	36	93.5 Å²	93.5	19%	0.188	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-59.8	153.2	168.7	-70.8	176.5	0	0	0	111.1	R79 Y88 A153 D155	R79-L210 HydrophobicContact CB-CB 4.38Å; Y88-L210 WeakPolarHBondContact OH-CD2 3.07Å; A153-L210 HydrophobicContact CB-CD1 4.09Å; A153-L210 HydrophobicContact CB-CD2 3.9Å; A153-L210 WeakPolarHBondContact O-CD1 3.46Å; D155-L210 HydrophobicContact CB-CD1 4.2Å
211	Q	90.2	Very high	75.5	Confident	102 Å²	102	99.3 Å²	99.3	48%	0.477	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-60.8	152.7	173.5	-57	174.9	-11	0	0	110	R79	R79-Q211 WeakPolarHBondContact CB-O 3.38Å; R79-Q211 WeakPolarHBondContact CG-O 3.37Å; R79-Q211 PolarHBondContact NE-O 3.25Å; R79-Q211 PolarHBondContact O-N 3.36Å
212	P	86.9	Confident	72.9	Confident	102 Å²	102	101 Å²	101	66%	0.662	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-56	148.3	177.8	-25.1	34.6	0	0	0	112.1	P214	P212-P214 WeakPolarHBondContact O-CD 3.02Å
213	H	77.4	Confident	70.4	Confident	53 Å²	53	107.9 Å²	107.9	25%	0.245	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-69.3	127	175.6	-169.1	-29.5	0	0	0	109.1	G215 L216	H213-G215 PolarHBondContact O-N 3.22Å; H213-L216 HydrophobicContact CB-CB 4.24Å; H213-L216 PolarHBondContact O-N 3.24Å
214	P	70.1	Confident	67.7	Low	82 Å²	82	112.6 Å²	112.6	53%	0.532	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.8	115.5	171.5	-24.5	33.6	0	0	0	110.1	P212	P212-P214 WeakPolarHBondContact O-CD 3.02Å
215	G	64.1	Low	65.2	Low	78 Å²	78	115.7 Å²	115.7	80%	0.804	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.4	3.7	177	0	0	0	0	0	117.3	H213	H213-G215 PolarHBondContact O-N 3.22Å
216	L	57	Low	62.8	Low	127 Å²	127	115.5 Å²	115.5	67%	0.665	59%	0.588	S	S	*	*			trans	-128.5	51.5	171.8	-75	166.2	0	0	0	110.3	H213 K218	H213-L216 HydrophobicContact CB-CB 4.24Å; H213-L216 PolarHBondContact O-N 3.24Å; L216-K218 PolarHBondContact O-N 3.08Å; L216-K218 VanDerWaalsContact O-N 3.08Å
217	E	50.4	Low	60.5	Low	154 Å²	154	122.1 Å²	122.1	72%	0.72	62%	0.617	S	S	*	*			trans	-65.8	107.3	165	-68.2	-178.9	179.4	0	0	107.2	H219	E217-H219 PolarHBondContact O-N 2.82Å
218	K	50.5	Low	57.8	Low	170 Å²	170	130.7 Å²	130.7	74%	0.739	66%	0.657	S	S	*	*			trans	-68.8	109.3	163.1	-108.7	-168.1	169.8	-153.3	0	105.8	L216 E220 E223	L216-K218 PolarHBondContact O-N 3.08Å; L216-K218 VanDerWaalsContact O-N 3.08Å; K218-E220 PolarHBondContact O-N 3.2Å; K218-E223 IonicContact NZ-OE1 2.71Å
219	H	39.9	Very low	55.3	Low	130 Å²	130	134 Å²	134	60%	0.602	68%	0.681	S	S	*	*			trans	-65.3	113.8	160.7	-80.8	-79.8	0	0	0	106.7	E217 D221	E217-H219 PolarHBondContact O-N 2.82Å; H219-D221 PolarHBondContact O-N 3Å
220	E	43	Very low	52.8	Low	177 Å²	177	133.8 Å²	133.8	83%	0.827	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	1	-179.5	-67.1	-179.4	159.6	0	0	112.4	K218	K218-E220 PolarHBondContact O-N 3.2Å
221	D	39.5	Very low	50.2	Low	122 Å²	122	137.1 Å²	137.1	65%	0.652	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	-173	-57.2	-40.4	0	0	0	114.7	H219	H219-D221 PolarHBondContact O-N 3Å
222	D	42.1	Very low	47.4	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-8.1	-173.5	-73.2	-20.1	0	0	0	114.3
223	E	39.4	Very low	44.8	Very low	159 Å²	159	140.3 Å²	140.3	74%	0.743	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-12.9	-177.8	-70.7	-176.6	-167.2	0	0	113.7	K218	K218-E223 IonicContact NZ-OE1 2.71Å
224	E	36.3	Very low	42.7	Very low	171 Å²	171	147.3 Å²	147.3	80%	0.799	77%	0.774	S	S	*	*	S	Bend	trans	-95.5	-17.2	-176.8	-66.4	-168.8	174	0	0	114.6	E226	E224-E226 PolarHBondContact O-N 3.5Å
225	E	37.2	Very low	40.7	Very low	169 Å²	169	147.4 Å²	147.4	79%	0.79	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-11.4	-176.3	-70.3	-163.1	168.5	0	0	114.8
226	E	40.2	Very low	39.1	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-12.8	-177.3	-69.6	-163.9	168.9	0	0	114.8	E224	E224-E226 PolarHBondContact O-N 3.5Å
227	E	40.8	Very low	37.8	Very low	187 Å²	187	151.4 Å²	151.4	87%	0.874	80%	0.803	S	S	*	*	S	Bend	trans	-94.6	-11.4	-173.8	-68.9	-153.9	166	0	0	116
228	E	35.9	Very low	36.9	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	81%	0.814	S	S	*	*	S	Bend	trans	-102.5	-3.5	-171.9	-80.1	-159	155.4	0	0	117
229	S	36.7	Very low	36	Very low	100 Å²	100	156 Å²	156	70%	0.699	82%	0.82	S	S	*	*	S	Bend	trans	-97.2	3.8	-168	71.5	0	0	0	0	118.2
230	E	38.9	Very low	35.6	Very low	195 Å²	195	156.5 Å²	156.5	91%	0.911	83%	0.832	S	S	*	*			trans	-121.9	68	-177.7	-65.3	-147.7	172.2	0	0	115.1
231	A	38.4	Very low	35	Very low	106 Å²	106	156.2 Å²	156.2	88%	0.876	83%	0.831	S	S	*	*			trans	-132.8	99.6	160.8	0	0	0	0	0	111
232	G	31	Very low	35.1	Very low	75 Å²	75	156.3 Å²	156.3	77%	0.773	84%	0.838	S	S	*	*			trans	173.7	98.1	173.1	0	0	0	0	0	116.9
233	E	33.2	Very low	34.9	Very low	195 Å²	195	154 Å²	154	91%	0.911	85%	0.845	S	S	*	*			trans	76	103.3	147.9	-64.4	-170.1	151.5	0	0	123.2
234	E	31.8	Very low	34.4	Very low	200 Å²	200	150.9 Å²	150.9	94%	0.935	84%	0.841	S	S	*	*			trans	26.4	125.5	135.7	-67.2	-162.2	140.2	0	0	123.1
235	G	29	Very low	35.1	Very low	84 Å²	84	152.6 Å²	152.6	87%	0.866	85%	0.846	S	S	*	*				145.5	98.3	125.8	0	0	0	0	0	118.1
236	G	29.6	Very low	34.9	Very low	80 Å²	80	154.7 Å²	154.7	83%	0.825	85%	0.848	S	S	*	*			trans	114.8	82.5	141.9	0	0	0	0	0	120.7
237	K	30.8	Very low	35	Very low	210 Å²	210	157.3 Å²	157.3	91%	0.913	85%	0.85	S	S	*	*			trans	15	118	147.8	-63.7	177.3	179.2	172.7	0	120.6
238	K	31.2	Very low	35.2	Very low	221 Å²	221	154.7 Å²	154.7	96%	0.961	85%	0.847	S	S	*	*				-165.6	154.1	118.5	-114.3	175.2	-178.1	176.9	0	113.2
239	K	31.1	Very low	35.5	Very low	199 Å²	199	154.7 Å²	154.7	87%	0.865	85%	0.847	S	S	*	*			trans	-80.9	144.6	-160.8	-81.1	-179.4	176	-176.6	0	116.1
240	V	31.8	Very low	35.9	Very low	140 Å²	140	155.1 Å²	155.1	85%	0.848	85%	0.85	S	S	*	*			trans	86.1	131.1	138.3	178.2	0	0	0	0	120.4
241	Q	31.4	Very low	37.2	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	83%	0.832	S	S	*	*			trans	-78.7	-168.3	-173.8	-50.5	174.7	-10	0	0	114.8
242	P	40	Very low	38.2	Very low	123 Å²	123	149.5 Å²	149.5	80%	0.799	83%	0.831	S	S	*	*			cis	-127.2	167.2	-29.5	16.7	6.6	0	0	0	113
243	G	38.4	Very low	39.6	Very low	82 Å²	82	157.4 Å²	157.4	85%	0.845	84%	0.837	S	S	*	*			trans	115	78.6	152.1	0	0	0	0	0	115.6
244	S	29.6	Very low	40.8	Very low	94 Å²	94	154.4 Å²	154.4	66%	0.657	83%	0.832	S	S	*	*			trans	-141.1	122.5	158.4	65.8	0	0	0	0	110.9	Y246	S244-Y246 PolarHBondContact O-N 2.56Å
245	K	49.5	Very low	42	Very low	207 Å²	207	150.4 Å²	150.4	90%	0.9	82%	0.824	S	S	*	*			trans	-33.6	113.4	163.1	-60.4	170.9	178.7	178.5	0	111.2	R247	K245-R247 PolarHBondContact O-N 3.44Å
246	Y	32.9	Very low	43.7	Very low	214 Å²	214	151.2 Å²	151.2	84%	0.839	81%	0.808	S	S	*	*			trans	-83.5	97.7	159.2	-88.6	-86.9	0	0	0	108.2	S244 V248	S244-Y246 PolarHBondContact O-N 2.56Å; Y246-V248 PolarHBondContact O-N 2.96Å; Y246-V248 VanDerWaalsContact O-N 3.15Å
247	R	43.8	Very low	45	Very low	231 Å²	231	153 Å²	153	87%	0.872	81%	0.805	S	S	*	*			trans	-58.7	105.5	163	176.3	-178.6	-177.8	177.1	-0	107.3	K245 Q249	K245-R247 PolarHBondContact O-N 3.44Å; R247-Q249 PolarHBondContact O-N 3.29Å
248	V	43.7	Very low	46.2	Very low	132 Å²	132	152.7 Å²	152.7	80%	0.8	80%	0.8	S	S	*	*			trans	-56.7	123.8	166.5	-179.1	0	0	0	0	107.2	Y246 S250	Y246-V248 PolarHBondContact O-N 2.96Å; Y246-V248 VanDerWaalsContact O-N 3.15Å; V248-S250 PolarHBondContact O-N 2.97Å
249	Q	42	Very low	47.5	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	78%	0.78	S	S	*	*			trans	-67.2	102.6	175.4	-130.5	171.6	-17	0	0	106.8	R247 G251	R247-Q249 PolarHBondContact O-N 3.29Å; Q249-G251 PolarHBondContact O-N 2.99Å; Q249-G251 VanDerWaalsContact O-N 3.1Å
250	S	46.2	Very low	48.8	Very low	110 Å²	110	140 Å²	140	77%	0.769	77%	0.772	S	S	*	*			trans	-61.1	114.4	176.4	55	0	0	0	0	108.9	V248	V248-S250 PolarHBondContact O-N 2.97Å
251	G	66.6	Low	50	Low	52 Å²	52	139.2 Å²	139.2	54%	0.536	76%	0.764	S	S	.	*			trans	-55.9	163	158.4	0	0	0	0	0	110.5	Q249 R253	Q249-G251 PolarHBondContact O-N 2.99Å; Q249-G251 VanDerWaalsContact O-N 3.1Å; G251-R253 PolarHBondContact O-N 3.48Å; G251-R253 VanDerWaalsContact O-N 3.17Å
252	P	58.8	Low	51.1	Low	130 Å²	130	137 Å²	137	84%	0.844	76%	0.757	S	S	*	*			trans	-52.4	127.6	174.4	-19.6	30.4	0	0	0	108.9	T254	P252-T254 PolarHBondContact O-N 3.41Å
253	R	59.5	Low	51.9	Low	242 Å²	242	134.2 Å²	134.2	91%	0.913	74%	0.741	S	S	*	*			trans	-54.4	109	172.8	-82.7	-177.9	158.6	136.5	-4.2	107.6	G251 P255	G251-R253 PolarHBondContact O-N 3.48Å; G251-R253 VanDerWaalsContact O-N 3.17Å; R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.43Å; R253-P255 VanDerWaalsContact O-N 3.17Å
254	T	58.4	Low	52.8	Low	132 Å²	132	134.5 Å²	134.5	81%	0.81	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-58.6	116.9	168.6	28.9	0	0	0	0	106.9	P252 N256	P252-T254 PolarHBondContact O-N 3.41Å; T254-N256 PolarHBondContact O-N 3.13Å
255	P	58.7	Low	54.2	Low	116 Å²	116	135.4 Å²	135.4	75%	0.753	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.2	131.1	173.1	-17.6	30.3	0	0	0	107.4	R253 P257	R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.43Å; R253-P255 VanDerWaalsContact O-N 3.17Å; P255-P257 WeakPolarHBondContact O-CD 3.4Å; P255-P257 VanDerWaalsContact O-N 3.13Å
256	N	63.9	Low	54.7	Low	101 Å²	101	131.4 Å²	131.4	54%	0.54	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-52.1	121.8	173.2	173	-6.9	0	0	0	108.2	T254 Y258 A259	T254-N256 PolarHBondContact O-N 3.13Å; N256-Y258 PolarHBondContact O-N 3.38Å; N256-Y258 PolarHBondContact OD1-N 3.32Å; N256-A259 HydrophobicContact CB-CB 3.89Å; N256-A259 WeakPolarHBondContact O-CB 3.16Å; N256-A259 PolarHBondContact O-N 3.29Å
257	P	56.3	Low	56.1	Low	116 Å²	116	128.6 Å²	128.6	75%	0.753	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-8.6	-175.9	23	-31.4	0	0	0	113.6	P255	P255-P257 WeakPolarHBondContact O-CD 3.4Å; P255-P257 VanDerWaalsContact O-N 3.13Å
258	Y	55.8	Low	56.8	Low	205 Å²	205	121 Å²	121	80%	0.804	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	7	175.5	-57.1	-76.1	0	0	0	113.8	N256 A260	N256-Y258 PolarHBondContact O-N 3.38Å; N256-Y258 PolarHBondContact OD1-N 3.32Å; Y258-A260 PolarHBondContact O-N 3.37Å
259	A	60.4	Low	58	Low	67 Å²	67	118.8 Å²	118.8	55%	0.554	67%	0.669	S	S	*	*	S	Bend	trans	-79.5	4	179.5	0	0	0	0	0	114.6	N256	N256-A259 HydrophobicContact CB-CB 3.89Å; N256-A259 WeakPolarHBondContact O-CB 3.16Å; N256-A259 PolarHBondContact O-N 3.29Å
260	A	57.7	Low	59.3	Low	85 Å²	85	115.4 Å²	115.4	70%	0.702	66%	0.656	S	S	*	*			trans	-127.2	84.9	178	0	0	0	0	0	110.5	Y258	Y258-A260 PolarHBondContact O-N 3.37Å
261	D	56.1	Low	60.5	Low	124 Å²	124	114 Å²	114	66%	0.663	64%	0.642	S	S	*	*			trans	-139.9	57.8	149.6	-121.4	-2	0	0	0	112.2	S263	D261-S263 PolarHBondContact O-N 2.89Å; D261-S263 WeakPolarHBondContact OD1-CB 3.28Å; D261-S263 PolarHBondContact OD1-OG 2.96Å
262	N	54.3	Low	60.5	Low	125 Å²	125	114.2 Å²	114.2	67%	0.668	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	10	158.6	-68.2	-62.2	0	0	0	111.9	S264 L265	N262-S264 PolarHBondContact O-N 3.13Å; N262-L265 PolarHBondContact O-N 3.4Å
263	S	56.8	Low	61.1	Low	66 Å²	66	113.9 Å²	113.9	46%	0.462	63%	0.625	S	S	.	*	H	α-helix	trans	-67.6	-24.1	179.3	67.5	0	0	0	0	112.6	D261 L265 M266	D261-S263 PolarHBondContact O-N 2.89Å; D261-S263 WeakPolarHBondContact OD1-CB 3.28Å; D261-S263 PolarHBondContact OD1-OG 2.96Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 3.45Å; S263-M266 PolarHBondContact O-N 3.39Å
264	S	58.3	Low	61.7	Low	88 Å²	88	104.8 Å²	104.8	62%	0.615	61%	0.606	S	S	*	*	H	α-helix	trans	-67.4	-23.9	178.5	54.1	0	0	0	0	114.1	N262 P268	N262-S264 PolarHBondContact O-N 3.13Å; S264-P268 WeakPolarHBondContact O-CD 3.39Å
265	L	59.1	Low	62.4	Low	113 Å²	113	102.8 Å²	102.8	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-90.6	-23.9	175	-89.2	165.9	0	0	0	113.7	N262 S263 P268 I269	N262-L265 PolarHBondContact O-N 3.4Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 3.45Å; L265-P268 WeakPolarHBondContact O-CD 3.5Å; L265-P268 WeakPolarHBondContact O-CG 3.48Å; L265-I269 WeakPolarHBondContact O-CD1 3.37Å; L265-I269 VanDerWaalsContact O-CG1 3.3Å; L265-I269 WeakPolarHBondContact O-CG1 3.33Å
266	M	60.5	Low	63	Low	122 Å²	122	103.4 Å²	103.4	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-73.1	-36	179.4	-80.1	-80.4	-135.6	0	0	112.5	S263 I269 L270	S263-M266 PolarHBondContact O-N 3.39Å; M266-I269 PolarHBondContact O-N 2.95Å; M266-L270 WeakPolarHBondContact O-CG 3.37Å; M266-L270 PolarHBondContact O-N 3.5Å
267	F	62.1	Low	63.4	Low	155 Å²	155	103.8 Å²	103.8	68%	0.68	59%	0.586	S	S	*	*	H	α-helix	trans	-62.7	-48.9	-178.5	-151	-92.4	0	0	0	113.6	I269 L270 V271	F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.03Å; F267-L270 PolarHBondContact O-N 3.39Å; F267-V271 HydrophobicContact CD1-CG2 4.23Å; F267-V271 HydrophobicContact CE1-CG2 4.21Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.17Å; F267-V271 PolarHBondContact O-N 3.17Å; F267-V271 VanDerWaalsContact O-N 3.13Å
268	P	58.5	Low	64.1	Low	73 Å²	73	101.6 Å²	101.6	47%	0.474	57%	0.571	S	S	.	*	H	α-helix	trans	-66.6	-30.8	176.8	22.2	-30.9	0	0	0	113.4	S264 L265 A272	S264-P268 WeakPolarHBondContact O-CD 3.39Å; L265-P268 WeakPolarHBondContact O-CD 3.5Å; L265-P268 WeakPolarHBondContact O-CG 3.48Å; P268-A272 WeakPolarHBondContact O-CB 3.3Å; P268-A272 PolarHBondContact O-N 3.1Å
269	I	68.5	Low	64.8	Low	84 Å²	84	94.9 Å²	94.9	43%	0.431	55%	0.552	S	S	.	*	H	α-helix	trans	-70.6	-43.4	178.3	-65.6	172.3	0	0	0	111.2	L265 M266 F267 V271 A272 F273	L265-I269 WeakPolarHBondContact O-CD1 3.37Å; L265-I269 VanDerWaalsContact O-CG1 3.3Å; L265-I269 WeakPolarHBondContact O-CG1 3.33Å; M266-I269 PolarHBondContact O-N 2.95Å; F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.03Å; I269-V271 VanDerWaalsContact C-N 3.35Å; I269-A272 WeakPolarHBondContact O-CB 3.33Å; I269-A272 PolarHBondContact O-N 3.23Å; I269-F273 HydrophobicContact CG2-CD2 3.75Å; I269-F273 HydrophobicContact CG2-CE2 3.51Å; I269-F273 WeakPolarHBondContact O-CD2 3.39Å; I269-F273 PolarHBondContact O-N 3.01Å
270	L	68.3	Low	65.1	Low	118 Å²	118	95.9 Å²	95.9	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-66.5	-37.1	177.3	-71.2	173.1	0	0	0	112.1	M266 F267 F273 G274	M266-L270 WeakPolarHBondContact O-CG 3.37Å; M266-L270 PolarHBondContact O-N 3.5Å; F267-L270 PolarHBondContact O-N 3.39Å; L270-F273 PolarHBondContact O-N 3Å; L270-G274 PolarHBondContact O-N 2.77Å
271	V	71	Confident	65.6	Low	79 Å²	79	99.2 Å²	99.2	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-65.4	-40.5	172.7	174	0	0	0	0	110.9	F267 I269 G274 V275	F267-V271 HydrophobicContact CD1-CG2 4.23Å; F267-V271 HydrophobicContact CE1-CG2 4.21Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.17Å; F267-V271 PolarHBondContact O-N 3.17Å; F267-V271 VanDerWaalsContact O-N 3.13Å; I269-V271 VanDerWaalsContact C-N 3.35Å; V271-G274 PolarHBondContact O-N 3.48Å; V271-V275 HydrophobicContact CG1-CG2 4.49Å; V271-V275 WeakPolarHBondContact O-CG2 3.2Å; V271-V275 PolarHBondContact O-N 2.96Å; V271-V275 VanDerWaalsContact O-N 3.13Å
272	A	68	Low	66.1	Low	58 Å²	58	98.3 Å²	98.3	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-61	-46.9	176	0	0	0	0	0	112	P268 I269 F276	P268-A272 WeakPolarHBondContact O-CB 3.3Å; P268-A272 PolarHBondContact O-N 3.1Å; I269-A272 WeakPolarHBondContact O-CB 3.33Å; I269-A272 PolarHBondContact O-N 3.23Å; A272-F276 WeakPolarHBondContact O-CB 3.48Å; A272-F276 PolarHBondContact O-N 3.24Å
273	F	71.1	Confident	66.6	Low	123 Å²	123	98.9 Å²	98.9	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-68.8	-37.1	177.3	-74	-66.2	0	0	0	113.3	I269 L270 V275 F276 I277	I269-F273 HydrophobicContact CG2-CD2 3.75Å; I269-F273 HydrophobicContact CG2-CE2 3.51Å; I269-F273 WeakPolarHBondContact O-CD2 3.39Å; I269-F273 PolarHBondContact O-N 3.01Å; L270-F273 PolarHBondContact O-N 3Å; F273-V275 VanDerWaalsContact C-N 3.3Å; F273-V275 PolarHBondContact O-N 3.48Å; F273-F276 PolarHBondContact O-N 3.15Å; F273-I277 HydrophobicContact CB-CD1 4.47Å; F273-I277 WeakPolarHBondContact O-CG1 3.48Å; F273-I277 PolarHBondContact O-N 3.26Å
274	G	72	Confident	66.9	Low	50 Å²	50	100.3 Å²	100.3	52%	0.515	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-30.5	178.7	0	0	0	0	0	114	L270 V271 P278	L270-G274 PolarHBondContact O-N 2.77Å; V271-G274 PolarHBondContact O-N 3.48Å; G274-P278 WeakPolarHBondContact O-CD 3.38Å; G274-P278 WeakPolarHBondContact O-CG 3.24Å
275	V	73.9	Confident	66.9	Low	90 Å²	90	106.2 Å²	106.2	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-93.7	-30.8	177.8	-177.2	0	0	0	0	111.9	V271 F273 T279	V271-V275 HydrophobicContact CG1-CG2 4.49Å; V271-V275 WeakPolarHBondContact O-CG2 3.2Å; V271-V275 PolarHBondContact O-N 2.96Å; V271-V275 VanDerWaalsContact O-N 3.13Å; F273-V275 VanDerWaalsContact C-N 3.3Å; F273-V275 PolarHBondContact O-N 3.48Å; V275-T279 HydrophobicContact CG1-CG2 4.47Å; V275-T279 WeakPolarHBondContact O-CB 3.21Å; V275-T279 WeakPolarHBondContact O-CG2 3.34Å; V275-T279 PolarHBondContact O-N 3.03Å; V275-T279 PolarHBondContact O-OG1 3.32Å
276	F	70.1	Confident	66.5	Low	129 Å²	129	112 Å²	112	57%	0.566	60%	0.599	S	S	*	*	H	α-helix	trans	-75.7	-38.4	-176.7	-164.2	-99.4	0	0	0	113.6	A272 F273 T279 L280	A272-F276 WeakPolarHBondContact O-CB 3.48Å; A272-F276 PolarHBondContact O-N 3.24Å; F273-F276 PolarHBondContact O-N 3.15Å; F276-T279 WeakPolarHBondContact CA-OG1 3.31Å; F276-T279 PolarHBondContact O-N 3.2Å; F276-T279 PolarHBondContact O-OG1 3.34Å; F276-L280 HydrophobicContact CE1-CD2 4.38Å; F276-L280 VanDerWaalsContact O-CB 3.31Å; F276-L280 WeakPolarHBondContact O-CB 3.07Å; F276-L280 PolarHBondContact O-N 2.93Å
277	I	72.8	Confident	66.8	Low	110 Å²	110	111.5 Å²	111.5	56%	0.564	60%	0.598	S	S	*	*	H	α-helix	trans	-66.8	-44.2	-177	-64.4	169.3	0	0	0	112.4	F273 F281	F273-I277 HydrophobicContact CB-CD1 4.47Å; F273-I277 WeakPolarHBondContact O-CG1 3.48Å; F273-I277 PolarHBondContact O-N 3.26Å; I277-F281 PolarHBondContact O-N 3.35Å
278	P	70.7	Confident	67.1	Low	69 Å²	69	109.2 Å²	109.2	45%	0.448	59%	0.594	S	S	.	*	H	α-helix	trans	-69.3	-38	176.5	-18.5	31.8	0	0	0	112.8	G274 F281 C282	G274-P278 WeakPolarHBondContact O-CD 3.38Å; G274-P278 WeakPolarHBondContact O-CG 3.24Å; P278-F281 PolarHBondContact O-N 2.96Å; P278-C282 PolarHBondContact O-N 3.28Å; P278-C282 PolarHBondContact O-SG 3.5Å
279	T	69.8	Low	67.5	Low	65 Å²	65	111.2 Å²	111.2	40%	0.399	60%	0.601	S	S	.	*	H	α-helix	trans	-68.5	-37.1	179.7	51.8	0	0	0	0	112.3	V275 F276 C282 L283	V275-T279 HydrophobicContact CG1-CG2 4.47Å; V275-T279 WeakPolarHBondContact O-CB 3.21Å; V275-T279 WeakPolarHBondContact O-CG2 3.34Å; V275-T279 PolarHBondContact O-N 3.03Å; V275-T279 PolarHBondContact O-OG1 3.32Å; F276-T279 WeakPolarHBondContact CA-OG1 3.31Å; F276-T279 PolarHBondContact O-N 3.2Å; F276-T279 PolarHBondContact O-OG1 3.34Å; T279-C282 PolarHBondContact O-N 3.19Å; T279-L283 WeakPolarHBondContact O-CB 3.4Å; T279-L283 WeakPolarHBondContact O-CG 3.41Å; T279-L283 PolarHBondContact O-N 3.19Å
280	L	68.3	Low	67.5	Low	87 Å²	87	112.8 Å²	112.8	46%	0.455	61%	0.611	S	S	.	*	H	α-helix	trans	-65.4	-39.1	172.3	-164.6	73.9	0	0	0	111.5	F276 C282 L283 C284	F276-L280 HydrophobicContact CE1-CD2 4.38Å; F276-L280 VanDerWaalsContact O-CB 3.31Å; F276-L280 WeakPolarHBondContact O-CB 3.07Å; F276-L280 PolarHBondContact O-N 2.93Å; L280-C282 VanDerWaalsContact C-N 3.33Å; L280-C282 PolarHBondContact O-N 2.97Å; L280-L283 PolarHBondContact O-N 2.88Å; L280-C284 VanDerWaalsContact O-CB 3.25Å; L280-C284 WeakPolarHBondContact O-CB 3.25Å; L280-C284 PolarHBondContact O-N 3.3Å; L280-C284 PolarHBondContact O-SG 3.47Å
281	F	68.6	Low	67.4	Low	156 Å²	156	112.4 Å²	112.4	68%	0.684	61%	0.61	S	S	*	*	H	α-helix	trans	-68.9	-31.3	176.7	-148.8	-92.9	0	0	0	112.7	I277 P278	I277-F281 PolarHBondContact O-N 3.35Å; P278-F281 PolarHBondContact O-N 2.96Å
282	C	64.9	Low	67.2	Low	104 Å²	104	114.7 Å²	114.7	70%	0.703	62%	0.619	S	S	*	*	H	α-helix	trans	-76.1	-31.2	173.2	-70.5	0	0	0	0	113.4	P278 T279 L280	P278-C282 PolarHBondContact O-N 3.28Å; P278-C282 PolarHBondContact O-SG 3.5Å; T279-C282 PolarHBondContact O-N 3.19Å; L280-C282 VanDerWaalsContact C-N 3.33Å; L280-C282 PolarHBondContact O-N 2.97Å
283	L	66	Low	67.1	Low	137 Å²	137	118.7 Å²	118.7	72%	0.717	63%	0.629	S	S	*	*	H	α-helix	trans	-84.5	-26.6	177.6	-76.8	164.2	0	0	0	113.3	T279 L280	T279-L283 WeakPolarHBondContact O-CB 3.4Å; T279-L283 WeakPolarHBondContact O-CG 3.41Å; T279-L283 PolarHBondContact O-N 3.19Å; L280-L283 PolarHBondContact O-N 2.88Å
284	C	63.1	Low	66.8	Low	96 Å²	96	118.4 Å²	118.4	65%	0.649	64%	0.636	S	S	*	*	S	Bend	trans	-91.1	7	177.9	-64.6	0	0	0	0	114	L280	L280-C284 VanDerWaalsContact O-CB 3.25Å; L280-C284 WeakPolarHBondContact O-CB 3.25Å; L280-C284 PolarHBondContact O-N 3.3Å; L280-C284 PolarHBondContact O-SG 3.47Å
285	R	57.5	Low	66.4	Low	213 Å²	213	124.1 Å²	124.1	80%	0.804	65%	0.646	S	S	*	*			trans	-105.1	72.6	162.6	-109	-163	172.7	177.9	0.3	110.5
286	L	50.9	Low	65.7	Low	233 Å²	233	127.2 Å²	127.2	100%	1.22	66%	0.655	S	S	*	*			trans	-140.4	0	156.6	-110.2	158.1	0	0	0	107.5

Retrieved 286 of 286 residues in 100.4 ms (Link to these results)

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