A0A061ADY3_CAEEL Loading...

Pyr_redox_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ADY3, Species CAEEL (Caenorhabditis elegans), Gene sqrd-1, Length 410 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	64.9	Low	86	Confident	147 Å²	147	97.8 Å²	97.8	72%	0.724	50%	0.503	S	S	*	.				0	128.6	0	-76.2	-173.6	-80.5	0	0	106.6	R378	M1-R378 HydrophobicContact CE-CG 4.26Å
2	S	81.4	Confident	86.5	Confident	61 Å²	61	98.6 Å²	98.6	43%	0.427	51%	0.509	S	S	.	.			trans	-70.3	166.5	174.1	56.8	0	0	0	0	110.8	E4 A5 N6	S2-E4 PolarHBondContact O-N 3.3Å; S2-A5 PolarHBondContact O-N 2.58Å; S2-A5 PolarHBondContact OG-N 3.09Å; S2-N6 PolarHBondContact O-ND2 3.32Å
3	L	87.3	Confident	86.8	Confident	41 Å²	41	95.6 Å²	95.6	22%	0.215	49%	0.494	C	S	.	.	S	Bend	trans	-56.3	-40.2	169	175.6	61.4	0	0	0	111.6	A5 N6 P79 V82 E83	L3-A5 PolarHBondContact O-N 3.03Å; L3-N6 PolarHBondContact O-N 2.92Å; L3-P79 HydrophobicContact CD1-CB 4.14Å; L3-P79 HydrophobicContact CD2-CB 3.98Å; L3-P79 WeakPolarHBondContact CD2-O 3.32Å; L3-V82 HydrophobicContact CD1-CG1 4.11Å; L3-E83 HydrophobicContact CB-CG 4.25Å; L3-E83 WeakPolarHBondContact CB-OE1 3.43Å; L3-E83 PolarHBondContact N-OE1 3.01Å; L3-E83 VanDerWaalsContact N-OE1 3.11Å
4	E	87.4	Confident	87	Confident	132 Å²	132	92.2 Å²	92.2	62%	0.617	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-63.7	-39.6	-177.5	-168.2	57.7	-160.7	0	0	112.5	S2 N6 R7	S2-E4 PolarHBondContact O-N 3.3Å; E4-N6 PolarHBondContact O-N 3.19Å; E4-R7 PolarHBondContact O-N 2.83Å
5	A	86.1	Confident	87.1	Confident	62 Å²	62	92.1 Å²	92.1	51%	0.512	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-64.4	-13.3	174.9	0	0	0	0	0	113.7	S2 L3	S2-A5 PolarHBondContact O-N 2.58Å; S2-A5 PolarHBondContact OG-N 3.09Å; L3-A5 PolarHBondContact O-N 3.03Å
6	N	87.3	Confident	87.2	Confident	82 Å²	82	99.6 Å²	99.6	44%	0.439	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-103.8	9.8	177.5	-70.2	-89.7	0	0	0	112.7	S2 L3 E4	S2-N6 PolarHBondContact O-ND2 3.32Å; L3-N6 PolarHBondContact O-N 2.92Å; E4-N6 PolarHBondContact O-N 3.19Å
7	R	90.8	Very high	87.3	Confident	123 Å²	123	103.6 Å²	103.6	46%	0.464	53%	0.534	S	S	.	.			trans	-116.3	153	-179.5	-73.6	176	164.2	-167.6	-9	111.5	E4	E4-R7 PolarHBondContact O-N 2.83Å
8	G	88.4	Confident	87.6	Confident	40 Å²	40	100.6 Å²	100.6	41%	0.412	53%	0.526	S	S	.	.			trans	-129.8	150.9	168.7	0	0	0	0	0	108.8	Q10 W386	G8-Q10 PolarHBondContact O-N 3.45Å; G8-W386 VanDerWaalsContact N-CH2 3.34Å
9	K	91	Very high	87.9	Confident	142 Å²	142	102.1 Å²	102.1	62%	0.617	54%	0.541	S	S	*	.			trans	-70.8	122	174.7	-62.2	176.4	-178.3	173.3	0	108	K11 D12	K9-K11 HydrophobicContact CB-CG 4.3Å; K9-K11 PolarHBondContact O-N 2.88Å; K9-K11 VanDerWaalsContact O-N 3.1Å; K9-D12 WeakPolarHBondContact CB-OD2 3.44Å; K9-D12 WeakPolarHBondContact O-CB 3.22Å; K9-D12 PolarHBondContact O-N 2.85Å
10	Q	90.2	Very high	88.2	Confident	121 Å²	121	101.7 Å²	101.7	57%	0.565	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-52.9	-38.6	-175.8	-175.1	170.9	-11.6	0	0	112.8	G8 D12 L13 I14 W20	G8-Q10 PolarHBondContact O-N 3.45Å; Q10-D12 PolarHBondContact O-N 3.18Å; Q10-L13 WeakPolarHBondContact O-CB 3.47Å; Q10-L13 PolarHBondContact O-N 3.22Å; Q10-I14 HydrophobicContact CG-CD1 4.24Å; Q10-I14 WeakPolarHBondContact O-CG1 3.29Å; Q10-I14 PolarHBondContact O-N 2.75Å; Q10-W20 HydrophobicContact CB-CH2 4.21Å; Q10-W20 HydrophobicContact CB-CZ2 4.02Å; Q10-W20 HydrophobicContact CG-CH2 4.39Å; Q10-W20 HydrophobicContact CG-CZ2 3.78Å
11	K	91.4	Very high	88.4	Confident	125 Å²	125	100.9 Å²	100.9	54%	0.543	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36	177.2	83.1	-178.1	-175.2	162.2	0	113.5	K9 L13 W20	K9-K11 HydrophobicContact CB-CG 4.3Å; K9-K11 PolarHBondContact O-N 2.88Å; K9-K11 VanDerWaalsContact O-N 3.1Å; K11-L13 PolarHBondContact O-N 2.88Å; K11-W20 VanDerWaalsContact CA-CZ3 3.5Å; K11-W20 HydrophobicContact CB-CE3 4.11Å; K11-W20 HydrophobicContact CB-CH2 3.85Å; K11-W20 HydrophobicContact CB-CZ3 3.27Å
12	D	91.6	Very high	89.8	Confident	107 Å²	107	100.8 Å²	100.8	57%	0.572	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-80.2	-10.3	-176.9	-57.2	-23.6	0	0	0	111.3	K9 Q10	K9-D12 WeakPolarHBondContact CB-OD2 3.44Å; K9-D12 WeakPolarHBondContact O-CB 3.22Å; K9-D12 PolarHBondContact O-N 2.85Å; Q10-D12 PolarHBondContact O-N 3.18Å
13	L	90.1	Very high	90.4	Very high	60 Å²	60	100.2 Å²	100.2	31%	0.314	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-103.7	-9.9	-179.1	-48.7	175.6	0	0	0	112.6	Q10 K11 W386 I390	Q10-L13 WeakPolarHBondContact O-CB 3.47Å; Q10-L13 PolarHBondContact O-N 3.22Å; K11-L13 PolarHBondContact O-N 2.88Å; L13-W386 HydrophobicContact CD1-CH2 4.34Å; L13-W386 HydrophobicContact CD1-CZ3 3.65Å; L13-W386 HydrophobicContact CD2-CE3 4.02Å; L13-W386 HydrophobicContact CD2-CZ3 3.72Å; L13-W386 HydrophobicContact CG-CZ3 4.32Å; L13-I390 HydrophobicContact CB-CG2 4.06Å; L13-I390 HydrophobicContact CD2-CG2 4.08Å; L13-I390 HydrophobicContact CG-CG2 4.45Å
14	I	90	Very high	90.8	Very high	48 Å²	48	104.8 Å²	104.8	25%	0.246	54%	0.535	C	S	.	.	S	Bend	trans	-73.1	130.4	176.1	-56.7	-53	0	0	0	108.7	Q10 A18 W20	Q10-I14 HydrophobicContact CG-CD1 4.24Å; Q10-I14 WeakPolarHBondContact O-CG1 3.29Å; Q10-I14 PolarHBondContact O-N 2.75Å; I14-A18 HydrophobicContact CG2-CB 3.94Å; I14-W20 HydrophobicContact CD1-CD2 4.45Å; I14-W20 HydrophobicContact CD1-CG 4.23Å; I14-W20 HydrophobicContact CG1-CB 4.18Å; I14-W20 HydrophobicContact CG1-CD2 3.97Å; I14-W20 HydrophobicContact CG1-CE3 4.27Å; I14-W20 HydrophobicContact CG1-CG 3.94Å; I14-W20 HydrophobicContact CG2-CB 4.21Å
15	P	88.8	Confident	91.1	Very high	90 Å²	90	100.7 Å²	100.7	58%	0.584	52%	0.519	S	S	*	.			trans	-56.8	141.4	174	-24.8	34.2	0	0	0	111.8	N17 A18	P15-N17 PolarHBondContact O-N 2.79Å; P15-A18 HydrophobicContact CB-CB 4.09Å; P15-A18 HydrophobicContact CG-CB 4.35Å; P15-A18 WeakPolarHBondContact O-CB 3.31Å; P15-A18 PolarHBondContact O-N 2.84Å
16	K	88.1	Confident	91.6	Very high	212 Å²	212	103.4 Å²	103.4	92%	0.922	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.2	-176.2	-68.4	-175	177.7	-177.7	0	114.3
17	N	89.8	Confident	92	Very high	169 Å²	169	104.5 Å²	104.5	90%	0.904	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	8.3	-177.5	-60.3	-13.2	0	0	0	112.9	P15	P15-N17 PolarHBondContact O-N 2.79Å
18	A	92.6	Very high	92.3	Very high	48 Å²	48	99.4 Å²	99.4	40%	0.397	50%	0.503	S	S	.	.	S	Bend	trans	-101.5	134.8	179.1	0	0	0	0	0	111	I14 P15	I14-A18 HydrophobicContact CG2-CB 3.94Å; P15-A18 HydrophobicContact CB-CB 4.09Å; P15-A18 HydrophobicContact CG-CB 4.35Å; P15-A18 WeakPolarHBondContact O-CB 3.31Å; P15-A18 PolarHBondContact O-N 2.84Å
19	T	93.2	Very high	92.7	Very high	130 Å²	130	98.6 Å²	98.6	80%	0.798	49%	0.489	S	S	*	.			trans	-76.9	121.9	170	-56.6	0	0	0	0	109.6	I21	T19-I21 HydrophobicContact CG2-CG1 4.38Å
20	W	93.6	Very high	92.8	Very high	93 Å²	93	92.7 Å²	92.7	35%	0.352	47%	0.465	S	S	.	.			trans	-92.8	105.7	175.8	-175.2	20.1	0	0	0	111.4	Q10 K11 I14 Q22	Q10-W20 HydrophobicContact CB-CH2 4.21Å; Q10-W20 HydrophobicContact CB-CZ2 4.02Å; Q10-W20 HydrophobicContact CG-CH2 4.39Å; Q10-W20 HydrophobicContact CG-CZ2 3.78Å; K11-W20 VanDerWaalsContact CA-CZ3 3.5Å; K11-W20 HydrophobicContact CB-CE3 4.11Å; K11-W20 HydrophobicContact CB-CH2 3.85Å; K11-W20 HydrophobicContact CB-CZ3 3.27Å; I14-W20 HydrophobicContact CD1-CD2 4.45Å; I14-W20 HydrophobicContact CD1-CG 4.23Å; I14-W20 HydrophobicContact CG1-CB 4.18Å; I14-W20 HydrophobicContact CG1-CD2 3.97Å; I14-W20 HydrophobicContact CG1-CE3 4.27Å; I14-W20 HydrophobicContact CG1-CG 3.94Å; I14-W20 HydrophobicContact CG2-CB 4.21Å; W20-Q22 HydrophobicContact CD2-CG 3.7Å; W20-Q22 VanDerWaalsContact CE2-CG 3.46Å; W20-Q22 HydrophobicContact CE3-CG 4.12Å; W20-Q22 HydrophobicContact CG-CG 4.17Å; W20-Q22 HydrophobicContact CH2-CG 4.2Å; W20-Q22 HydrophobicContact CZ2-CG 3.74Å; W20-Q22 VanDerWaalsContact CZ2-NE2 3.32Å; W20-Q22 HydrophobicContact CZ3-CG 4.34Å
21	I	93	Very high	93	Very high	86 Å²	86	92.1 Å²	92.1	44%	0.441	48%	0.48	S	S	.	.			trans	-88	111.8	171.8	-56.9	175	0	0	0	108.6	T19 D23 L37 I43	T19-I21 HydrophobicContact CG2-CG1 4.38Å; I21-D23 VanDerWaalsContact C-N 3.31Å; I21-D23 HydrophobicContact CG2-CB 4.4Å; I21-D23 PolarHBondContact O-N 2.85Å; I21-L37 HydrophobicContact CG2-CD1 3.63Å; I21-I43 HydrophobicContact CD1-CD1 4.03Å; I21-I43 HydrophobicContact CD1-CG1 4.17Å
22	Q	94.4	Very high	93.2	Very high	145 Å²	145	92 Å²	92	68%	0.678	48%	0.48	S	S	*	.			trans	-89.1	60.6	-179.2	-69.4	-176.2	-20.5	0	0	112.2	W20	W20-Q22 HydrophobicContact CD2-CG 3.7Å; W20-Q22 VanDerWaalsContact CE2-CG 3.46Å; W20-Q22 HydrophobicContact CE3-CG 4.12Å; W20-Q22 HydrophobicContact CG-CG 4.17Å; W20-Q22 HydrophobicContact CH2-CG 4.2Å; W20-Q22 HydrophobicContact CZ2-CG 3.74Å; W20-Q22 VanDerWaalsContact CZ2-NE2 3.32Å; W20-Q22 HydrophobicContact CZ3-CG 4.34Å
23	D	93.6	Very high	93.5	Very high	49 Å²	49	89.6 Å²	89.6	26%	0.262	47%	0.467	S	S	.	.	S	Bend	trans	-139.2	175.8	174.6	-156.8	-0.4	0	0	0	111.5	I21 L37 R38 G39	I21-D23 VanDerWaalsContact C-N 3.31Å; I21-D23 HydrophobicContact CG2-CB 4.4Å; I21-D23 PolarHBondContact O-N 2.85Å; D23-L37 HydrophobicContact CB-CB 4.29Å; D23-L37 HydrophobicContact CB-CD1 4.17Å; D23-L37 VanDerWaalsContact OD2-CB 3.31Å; D23-L37 WeakPolarHBondContact OD2-CB 3.36Å; D23-R38 IonicContact OD1-NE 3.09Å; D23-R38 PolarHBondContact OD2-N 3.2Å; D23-G39 WeakPolarHBondContact OD2-CA 3.41Å; D23-G39 PolarHBondContact OD2-N 3.37Å
24	K	94.5	Very high	93.9	Very high	136 Å²	136	86.8 Å²	86.8	59%	0.591	45%	0.452	S	S	*	.			trans	-101.8	131.4	177.5	-64.6	-177.9	-179.6	179.5	0	109.4	Q26 L37 R38	K24-Q26 PolarHBondContact O-N 3.17Å; K24-L37 CarbonylContact O-C 3.47Å; K24-L37 WeakPolarHBondContact O-CA 3.31Å; K24-R38 HydrophobicContact CB-CB 4.28Å; K24-R38 PolarHBondContact O-N 3.05Å
25	V	95.3	Very high	94.2	Very high	47 Å²	47	85.1 Å²	85.1	29%	0.285	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	121.8	164.7	175.8	0	0	0	0	108.8	F28 V35 L37 M52 A263	V25-F28 HydrophobicContact CG1-CD1 4.41Å; V25-F28 HydrophobicContact CG1-CD2 4.26Å; V25-F28 HydrophobicContact CG1-CE1 3.97Å; V25-F28 HydrophobicContact CG1-CE2 3.8Å; V25-F28 HydrophobicContact CG1-CZ 3.64Å; V25-V35 HydrophobicContact CB-CG1 4.06Å; V25-V35 HydrophobicContact CG1-CG1 3.35Å; V25-V35 HydrophobicContact CG2-CG1 3.74Å; V25-L37 HydrophobicContact CG2-CD2 4.36Å; V25-M52 HydrophobicContact CB-CE 4.23Å; V25-A263 HydrophobicContact CG1-CB 3.95Å; V25-A263 WeakPolarHBondContact O-CB 3.48Å
26	Q	95.1	Very high	94.6	Very high	119 Å²	119	83.7 Å²	83.7	56%	0.556	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-43.8	177.1	-173.9	-179.1	44	0	0	110.9	K24 K36 A263	K24-Q26 PolarHBondContact O-N 3.17Å; Q26-K36 WeakPolarHBondContact CB-O 3.43Å; Q26-K36 PolarHBondContact N-O 3.1Å; Q26-A263 WeakPolarHBondContact O-CB 3.18Å
27	K	96.3	Very high	94.9	Very high	105 Å²	105	74.1 Å²	74.1	46%	0.457	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.4	-175.9	-173.6	-173.9	176.8	-157.4	0	111.2	E29 K36	K27-E29 HydrophobicContact CD-CG 4.43Å; K27-E29 IonicContact NZ-OE1 3.84Å; K27-E29 PolarHBondContact NZ-OE1 3.26Å; K27-K36 HydrophobicContact CB-CB 4.35Å; K27-K36 PolarHBondContact N-O 3.3Å; K27-K36 PolarHBondContact O-N 2.93Å
28	F	97	Very high	95.2	Very high	16 Å²	16	73.6 Å²	73.6	7%	0.07	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.5	169.6	-63.6	-83.3	0	0	0	111	V25 P30 V35 M48 I50 M52 A263 L264 F269	V25-F28 HydrophobicContact CG1-CD1 4.41Å; V25-F28 HydrophobicContact CG1-CD2 4.26Å; V25-F28 HydrophobicContact CG1-CE1 3.97Å; V25-F28 HydrophobicContact CG1-CE2 3.8Å; V25-F28 HydrophobicContact CG1-CZ 3.64Å; F28-P30 WeakPolarHBondContact O-CD 3.26Å; F28-V35 HydrophobicContact CD1-CG1 4.23Å; F28-V35 HydrophobicContact CD1-CG2 3.85Å; F28-V35 HydrophobicContact CE1-CG1 4.31Å; F28-V35 HydrophobicContact CE1-CG2 4.15Å; F28-M48 HydrophobicContact CD1-CE 4.07Å; F28-M48 HydrophobicContact CD1-SD 4.03Å; F28-M48 HydrophobicContact CE1-CE 4.22Å; F28-M48 HydrophobicContact CE1-SD 3.8Å; F28-I50 HydrophobicContact CE1-CD1 4.35Å; F28-I50 HydrophobicContact CZ-CD1 4.44Å; F28-M52 HydrophobicContact CE2-SD 3.99Å; F28-M52 HydrophobicContact CZ-SD 3.66Å; F28-A263 WeakPolarHBondContact CD2-O 3.45Å; F28-A263 HydrophobicContact CE2-CB 4.15Å; F28-L264 HydrophobicContact CE2-CB 4.28Å; F28-L264 HydrophobicContact CE2-CD1 4.33Å; F28-F269 HydrophobicContact CB-CD2 4.15Å; F28-F269 HydrophobicContact CB-CE2 3.56Å; F28-F269 HydrophobicContact CD1-CD2 4.27Å; F28-F269 AromaticContact CD1-CE2 3.62Å; F28-F269 HydrophobicContact CD1-CE2 3.62Å; F28-F269 HydrophobicContact CD2-CD2 4.32Å; F28-F269 HydrophobicContact CD2-CE2 4.36Å; F28-F269 HydrophobicContact CE1-CE2 4.38Å; F28-F269 HydrophobicContact CG-CD2 4.01Å; F28-F269 AromaticContact CG-CE2 3.6Å; F28-F269 HydrophobicContact CG-CE2 3.6Å
29	E	96.4	Very high	95.1	Very high	23 Å²	23	74.1 Å²	74.1	11%	0.107	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	74.1	174.2	-57.9	-157.8	145	0	0	109.9	K27 A31 K32 N33 S34 K36	K27-E29 HydrophobicContact CD-CG 4.43Å; K27-E29 IonicContact NZ-OE1 3.84Å; K27-E29 PolarHBondContact NZ-OE1 3.26Å; E29-A31 VanDerWaalsContact C-N 3.25Å; E29-A31 PolarHBondContact O-N 3.26Å; E29-K32 HydrophobicContact CB-CD 4.45Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 IonicContact OE2-NZ 3.03Å; E29-K32 PolarHBondContact OE2-NZ 2.98Å; E29-N33 PolarHBondContact O-N 2.85Å; E29-S34 PolarHBondContact N-O 3.21Å; E29-S34 PolarHBondContact O-N 3.42Å; E29-K36 VanDerWaalsContact CD-NZ 3.33Å; E29-K36 IonicContact OE1-NZ 3.12Å; E29-K36 PolarHBondContact OE1-NZ 2.99Å; E29-K36 VanDerWaalsContact OE2-CE 3.31Å; E29-K36 WeakPolarHBondContact OE2-CE 3.22Å; E29-K36 IonicContact OE2-NZ 3.74Å; E29-K36 PolarHBondContact OE2-NZ 3.42Å; E29-K36 VanDerWaalsContact OE2-NZ 3.12Å
30	P	94.3	Very high	95.1	Very high	18 Å²	18	70.9 Å²	70.9	12%	0.117	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63.1	-26.6	-171.9	21.7	-32	0	0	0	114.5	F28 K32 N33 A268 F269 Y288	F28-P30 WeakPolarHBondContact O-CD 3.26Å; P30-K32 PolarHBondContact O-N 2.96Å; P30-N33 PolarHBondContact O-N 2.88Å; P30-N33 PolarHBondContact O-OD1 3.32Å; P30-A268 HydrophobicContact CG-CB 4.07Å; P30-F269 HydrophobicContact CB-CE1 3.87Å; P30-F269 HydrophobicContact CB-CZ 3.67Å; P30-F269 HydrophobicContact CG-CE1 4.46Å; P30-F269 HydrophobicContact CG-CZ 4.22Å; P30-Y288 HydrophobicContact CB-CD1 4Å; P30-Y288 HydrophobicContact CB-CE1 3.52Å; P30-Y288 HydrophobicContact CB-CE2 4.26Å; P30-Y288 HydrophobicContact CG-CE1 4.1Å; P30-Y288 HydrophobicContact CG-CE2 4.42Å; P30-Y288 WeakPolarHBondContact CG-OH 3.5Å
31	A	94.4	Very high	95	Very high	108 Å²	108	71.5 Å²	71.5	89%	0.893	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22.5	175	0	0	0	0	0	113.1	E29	E29-A31 VanDerWaalsContact C-N 3.25Å; E29-A31 PolarHBondContact O-N 3.26Å
32	K	96.2	Very high	95.2	Very high	122 Å²	122	71.5 Å²	71.5	53%	0.53	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-106.7	0.7	177.5	-59.9	-179.6	-175.1	168.6	0	112.8	E29 P30 S34	E29-K32 HydrophobicContact CB-CD 4.45Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 IonicContact OE2-NZ 3.03Å; E29-K32 PolarHBondContact OE2-NZ 2.98Å; P30-K32 PolarHBondContact O-N 2.96Å; K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 2.97Å
33	N	97.5	Very high	95.3	Very high	58 Å²	58	67.8 Å²	67.8	31%	0.31	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	50.7	-165.2	-62.5	-46	0	0	0	112.4	E29 P30 T44 Y45 N290	E29-N33 PolarHBondContact O-N 2.85Å; P30-N33 PolarHBondContact O-N 2.88Å; P30-N33 PolarHBondContact O-OD1 3.32Å; N33-T44 CarbonylContact O-C 3.55Å; N33-T44 VanDerWaalsContact O-CA 3.26Å; N33-T44 WeakPolarHBondContact O-CA 3.48Å; N33-Y45 VanDerWaalsContact CA-CZ 3.48Å; N33-Y45 HydrophobicContact CB-CD2 3.93Å; N33-Y45 HydrophobicContact CB-CE1 4.47Å; N33-Y45 HydrophobicContact CB-CE2 3.67Å; N33-Y45 HydrophobicContact CB-CG 4.42Å; N33-Y45 VanDerWaalsContact CB-O 3.24Å; N33-Y45 WeakPolarHBondContact CB-O 3.32Å; N33-Y45 WeakPolarHBondContact O-CD1 3.18Å; N33-Y45 WeakPolarHBondContact O-CE1 3.24Å; N33-Y45 PolarHBondContact O-N 2.86Å; N33-N290 PolarHBondContact OD1-ND2 2.67Å
34	S	97.4	Very high	95.4	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.4	-179.2	74.9	0	0	0	0	114.2	E29 K32 E42 I43	E29-S34 PolarHBondContact N-O 3.21Å; E29-S34 PolarHBondContact O-N 3.42Å; K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 2.97Å; S34-E42 VanDerWaalsContact CB-OE1 3.22Å; S34-E42 WeakPolarHBondContact CB-OE1 3.49Å; S34-E42 PolarHBondContact OG-OE1 3.44Å; S34-I43 CarbonylContact C-O 3.59Å; S34-I43 WeakPolarHBondContact CA-O 3.45Å; S34-I43 WeakPolarHBondContact CB-O 3.25Å
35	V	96.3	Very high	95.6	Very high	14 Å²	14	65.5 Å²	65.5	9%	0.085	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.7	178.9	-172.5	0	0	0	0	108.6	V25 F28 L37 E42 I43 Y45 M48	V25-V35 HydrophobicContact CB-CG1 4.06Å; V25-V35 HydrophobicContact CG1-CG1 3.35Å; V25-V35 HydrophobicContact CG2-CG1 3.74Å; F28-V35 HydrophobicContact CD1-CG1 4.23Å; F28-V35 HydrophobicContact CD1-CG2 3.85Å; F28-V35 HydrophobicContact CE1-CG1 4.31Å; F28-V35 HydrophobicContact CE1-CG2 4.15Å; V35-L37 HydrophobicContact CG1-CD2 4.34Å; V35-E42 WeakPolarHBondContact O-CA 3.42Å; V35-I43 PolarHBondContact N-O 3.43Å; V35-I43 PolarHBondContact O-N 2.71Å; V35-Y45 HydrophobicContact CG2-CD1 4.01Å; V35-Y45 HydrophobicContact CG2-CE1 3.82Å; V35-M48 HydrophobicContact CG2-SD 3.9Å
36	K	96.9	Very high	95.7	Very high	60 Å²	60	69.7 Å²	69.7	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129	172.6	-70.2	179.8	172.9	163.8	0	110	Q26 K27 E29 E42	Q26-K36 WeakPolarHBondContact CB-O 3.43Å; Q26-K36 PolarHBondContact N-O 3.1Å; K27-K36 HydrophobicContact CB-CB 4.35Å; K27-K36 PolarHBondContact N-O 3.3Å; K27-K36 PolarHBondContact O-N 2.93Å; E29-K36 VanDerWaalsContact CD-NZ 3.33Å; E29-K36 IonicContact OE1-NZ 3.12Å; E29-K36 PolarHBondContact OE1-NZ 2.99Å; E29-K36 VanDerWaalsContact OE2-CE 3.31Å; E29-K36 WeakPolarHBondContact OE2-CE 3.22Å; E29-K36 IonicContact OE2-NZ 3.74Å; E29-K36 PolarHBondContact OE2-NZ 3.42Å; E29-K36 VanDerWaalsContact OE2-NZ 3.12Å; K36-E42 VanDerWaalsContact CE-OE2 3.29Å; K36-E42 WeakPolarHBondContact CE-OE2 3.44Å; K36-E42 HydrophobicContact CG-CB 4.44Å; K36-E42 HydrophobicContact CG-CG 4.24Å
37	L	95.6	Very high	95.8	Very high	11 Å²	11	68.4 Å²	68.4	6%	0.058	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	157.8	177.3	-51.5	-174.7	0	0	0	110.1	I21 D23 K24 V25 V35 G39 G40 D41 I43	I21-L37 HydrophobicContact CG2-CD1 3.63Å; D23-L37 HydrophobicContact CB-CB 4.29Å; D23-L37 HydrophobicContact CB-CD1 4.17Å; D23-L37 VanDerWaalsContact OD2-CB 3.31Å; D23-L37 WeakPolarHBondContact OD2-CB 3.36Å; K24-L37 CarbonylContact O-C 3.47Å; K24-L37 WeakPolarHBondContact O-CA 3.31Å; V25-L37 HydrophobicContact CG2-CD2 4.36Å; V35-L37 HydrophobicContact CG1-CD2 4.34Å; L37-G39 PolarHBondContact O-N 2.84Å; L37-G40 PolarHBondContact O-N 3.18Å; L37-G40 VanDerWaalsContact O-N 3.09Å; L37-D41 HydrophobicContact CB-CB 4.45Å; L37-D41 HydrophobicContact CD1-CB 4.09Å; L37-D41 HydrophobicContact CG-CB 4.44Å; L37-D41 PolarHBondContact N-O 3.4Å; L37-I43 HydrophobicContact CD1-CD1 4.34Å; L37-I43 HydrophobicContact CD1-CG1 3.85Å; L37-I43 HydrophobicContact CG-CG1 4.18Å
38	R	94.7	Very high	95.8	Very high	157 Å²	157	64.3 Å²	64.3	59%	0.592	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.7	179.4	-176.9	-171.2	65.5	156.4	5.4	112.2	D23 K24 G40	D23-R38 IonicContact OD1-NE 3.09Å; D23-R38 PolarHBondContact OD2-N 3.2Å; K24-R38 HydrophobicContact CB-CB 4.28Å; K24-R38 PolarHBondContact O-N 3.05Å; R38-G40 PolarHBondContact O-N 2.88Å
39	G	90.7	Very high	95.8	Very high	60 Å²	60	66.6 Å²	66.6	62%	0.619	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-8.6	176.6	0	0	0	0	0	114.6	D23 L37	D23-G39 WeakPolarHBondContact OD2-CA 3.41Å; D23-G39 PolarHBondContact OD2-N 3.37Å; L37-G39 PolarHBondContact O-N 2.84Å
40	G	93.6	Very high	95.9	Very high	62 Å²	62	65.7 Å²	65.7	64%	0.639	37%	0.37	S	S	*	.	S	Bend	trans	104.1	-18.1	179.3	0	0	0	0	0	114.1	L37 R38	L37-G40 PolarHBondContact O-N 3.18Å; L37-G40 VanDerWaalsContact O-N 3.09Å; R38-G40 PolarHBondContact O-N 2.88Å
41	D	92.6	Very high	96	Very high	105 Å²	105	68.1 Å²	68.1	56%	0.561	39%	0.392	S	S	*	.			trans	-63.3	146.9	177.5	-66.1	-22	0	0	0	112	L37	L37-D41 HydrophobicContact CB-CB 4.45Å; L37-D41 HydrophobicContact CD1-CB 4.09Å; L37-D41 HydrophobicContact CG-CB 4.44Å; L37-D41 PolarHBondContact N-O 3.4Å
42	E	96.6	Very high	96	Very high	87 Å²	87	66 Å²	66	41%	0.407	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126	173.3	-174.7	168.1	169.8	0	0	109.6	S34 V35 K36	S34-E42 VanDerWaalsContact CB-OE1 3.22Å; S34-E42 WeakPolarHBondContact CB-OE1 3.49Å; S34-E42 PolarHBondContact OG-OE1 3.44Å; V35-E42 WeakPolarHBondContact O-CA 3.42Å; K36-E42 VanDerWaalsContact CE-OE2 3.29Å; K36-E42 WeakPolarHBondContact CE-OE2 3.44Å; K36-E42 HydrophobicContact CG-CB 4.44Å; K36-E42 HydrophobicContact CG-CG 4.24Å
43	I	95.4	Very high	96	Very high	66 Å²	66	61 Å²	61	34%	0.338	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.8	-179.7	-53	-60	0	0	0	108.7	I21 S34 V35 L37	I21-I43 HydrophobicContact CD1-CD1 4.03Å; I21-I43 HydrophobicContact CD1-CG1 4.17Å; S34-I43 CarbonylContact C-O 3.59Å; S34-I43 WeakPolarHBondContact CA-O 3.45Å; S34-I43 WeakPolarHBondContact CB-O 3.25Å; V35-I43 PolarHBondContact N-O 3.43Å; V35-I43 PolarHBondContact O-N 2.71Å; L37-I43 HydrophobicContact CD1-CD1 4.34Å; L37-I43 HydrophobicContact CD1-CG1 3.85Å; L37-I43 HydrophobicContact CG-CG1 4.18Å
44	T	97.6	Very high	95.8	Very high	108 Å²	108	59.1 Å²	59.1	66%	0.663	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	157.1	171.6	54.5	0	0	0	0	111.2	N33	N33-T44 CarbonylContact O-C 3.55Å; N33-T44 VanDerWaalsContact O-CA 3.26Å; N33-T44 WeakPolarHBondContact O-CA 3.48Å
45	Y	97.1	Very high	95.7	Very high	29 Å²	29	62.3 Å²	62.3	11%	0.114	35%	0.353	C	S	.	.			trans	-142.7	146.6	179.7	58.7	-100.5	0	0	0	112	N33 V35 M48 V291	N33-Y45 VanDerWaalsContact CA-CZ 3.48Å; N33-Y45 HydrophobicContact CB-CD2 3.93Å; N33-Y45 HydrophobicContact CB-CE1 4.47Å; N33-Y45 HydrophobicContact CB-CE2 3.67Å; N33-Y45 HydrophobicContact CB-CG 4.42Å; N33-Y45 VanDerWaalsContact CB-O 3.24Å; N33-Y45 WeakPolarHBondContact CB-O 3.32Å; N33-Y45 WeakPolarHBondContact O-CD1 3.18Å; N33-Y45 WeakPolarHBondContact O-CE1 3.24Å; N33-Y45 PolarHBondContact O-N 2.86Å; V35-Y45 HydrophobicContact CG2-CD1 4.01Å; V35-Y45 HydrophobicContact CG2-CE1 3.82Å; Y45-M48 HydrophobicContact CD1-CB 4.28Å; Y45-M48 HydrophobicContact CD1-SD 4.11Å; Y45-M48 HydrophobicContact CD2-CB 3.75Å; Y45-M48 HydrophobicContact CE1-CB 4.36Å; Y45-M48 HydrophobicContact CE1-CE 3.86Å; Y45-M48 HydrophobicContact CE1-SD 3.73Å; Y45-M48 HydrophobicContact CE2-CB 3.87Å; Y45-M48 HydrophobicContact CE2-CE 4.28Å; Y45-M48 HydrophobicContact CG-CB 3.99Å; Y45-V291 HydrophobicContact CE2-CG2 4.27Å
46	D	97.3	Very high	95.8	Very high	135 Å²	135	63.3 Å²	63.3	72%	0.722	36%	0.358	S	S	*	.	S	Bend	trans	-81.1	-45.2	163.9	-61.5	-54.7	0	0	0	110.1	N290	D46-N290 VanDerWaalsContact O-CB 3.25Å; D46-N290 WeakPolarHBondContact O-CB 3.49Å; D46-N290 PolarHBondContact O-ND2 3.09Å
47	Y	97	Very high	95.8	Very high	93 Å²	93	62.8 Å²	62.8	37%	0.365	35%	0.354	S	S	.	.	S	Bend	trans	-131.4	145.3	177.6	-59.5	-80.8	0	0	0	110.7	N290 L320 V323 M324	Y47-N290 VanDerWaalsContact CA-O 3.32Å; Y47-N290 WeakPolarHBondContact CA-O 3.34Å; Y47-N290 HydrophobicContact CD1-CB 3.8Å; Y47-N290 HydrophobicContact CE1-CB 4.13Å; Y47-L320 HydrophobicContact CD1-CD1 4.22Å; Y47-L320 HydrophobicContact CG-CD1 4.22Å; Y47-V323 HydrophobicContact CD1-CG1 4.41Å; Y47-V323 HydrophobicContact CE1-CG1 3.75Å; Y47-V323 PolarHBondContact OH-O 3.21Å; Y47-M324 HydrophobicContact CD2-CG 3.88Å; Y47-M324 HydrophobicContact CE1-CG 4.39Å; Y47-M324 HydrophobicContact CE2-CB 4.39Å; Y47-M324 HydrophobicContact CE2-CG 3.65Å; Y47-M324 HydrophobicContact CG-CG 4.34Å; Y47-M324 WeakPolarHBondContact OH-CA 3.25Å
48	M	97.4	Very high	95.9	Very high	19 Å²	19	63.1 Å²	63.1	9%	0.094	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.7	179.7	-177.8	172.7	56.8	0	0	112	F28 V35 Y45 I50 F269 N290 V291 F292	F28-M48 HydrophobicContact CD1-CE 4.07Å; F28-M48 HydrophobicContact CD1-SD 4.03Å; F28-M48 HydrophobicContact CE1-CE 4.22Å; F28-M48 HydrophobicContact CE1-SD 3.8Å; V35-M48 HydrophobicContact CG2-SD 3.9Å; Y45-M48 HydrophobicContact CD1-CB 4.28Å; Y45-M48 HydrophobicContact CD1-SD 4.11Å; Y45-M48 HydrophobicContact CD2-CB 3.75Å; Y45-M48 HydrophobicContact CE1-CB 4.36Å; Y45-M48 HydrophobicContact CE1-CE 3.86Å; Y45-M48 HydrophobicContact CE1-SD 3.73Å; Y45-M48 HydrophobicContact CE2-CB 3.87Å; Y45-M48 HydrophobicContact CE2-CE 4.28Å; Y45-M48 HydrophobicContact CG-CB 3.99Å; M48-I50 HydrophobicContact CE-CD1 3.9Å; M48-I50 HydrophobicContact CE-CG1 4.01Å; M48-I50 HydrophobicContact CG-CG1 4.19Å; M48-I50 HydrophobicContact SD-CG1 4.21Å; M48-F269 HydrophobicContact CE-CD2 4.5Å; M48-F269 HydrophobicContact CE-CE1 4.22Å; M48-F269 HydrophobicContact CE-CE2 3.52Å; M48-F269 HydrophobicContact CE-CZ 3.35Å; M48-N290 PolarHBondContact N-O 3.39Å; M48-V291 HydrophobicContact CB-CG2 4.37Å; M48-V291 HydrophobicContact CE-CG1 3.83Å; M48-V291 HydrophobicContact CE-CG2 3.98Å; M48-V291 CarbonylContact O-C 3.49Å; M48-V291 WeakPolarHBondContact O-CA 3.47Å; M48-F292 PolarHBondContact O-N 3.04Å
49	V	97.6	Very high	96	Very high	63 Å²	63	59 Å²	59	38%	0.382	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.6	169.7	-176.6	0	0	0	0	109.1	F292 V294 L320	V49-F292 CarbonylContact C-O 3.54Å; V49-F292 WeakPolarHBondContact CA-O 3.5Å; V49-F292 HydrophobicContact CG2-CB 4.4Å; V49-V294 HydrophobicContact CG1-CB 4.46Å; V49-V294 HydrophobicContact CG1-CG2 3.57Å; V49-L320 HydrophobicContact CG2-CD2 4.11Å
50	I	97.6	Very high	96.3	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	178.3	-56.2	-176.6	0	0	0	109	F28 M48 M52 L264 F269 M276 V291 F292 G293 V294 C297	F28-I50 HydrophobicContact CE1-CD1 4.35Å; F28-I50 HydrophobicContact CZ-CD1 4.44Å; M48-I50 HydrophobicContact CE-CD1 3.9Å; M48-I50 HydrophobicContact CE-CG1 4.01Å; M48-I50 HydrophobicContact CG-CG1 4.19Å; M48-I50 HydrophobicContact SD-CG1 4.21Å; I50-M52 HydrophobicContact CG2-CG 3.94Å; I50-M52 HydrophobicContact CG2-SD 4.26Å; I50-L264 HydrophobicContact CD1-CD1 4.05Å; I50-L264 HydrophobicContact CG2-CD1 4.1Å; I50-L264 HydrophobicContact CG2-CD2 3.91Å; I50-F269 HydrophobicContact CD1-CB 4.33Å; I50-F269 HydrophobicContact CD1-CD2 3.61Å; I50-F269 HydrophobicContact CD1-CE2 3.98Å; I50-F269 HydrophobicContact CD1-CG 3.94Å; I50-M276 HydrophobicContact CB-CE 4.19Å; I50-M276 HydrophobicContact CB-SD 3.7Å; I50-M276 HydrophobicContact CD1-CE 3.83Å; I50-M276 HydrophobicContact CD1-SD 3.95Å; I50-M276 HydrophobicContact CG1-CE 4.14Å; I50-M276 HydrophobicContact CG1-SD 4.22Å; I50-M276 HydrophobicContact CG2-SD 4.12Å; I50-V291 HydrophobicContact CD1-CG1 4.06Å; I50-V291 HydrophobicContact CG1-CG1 4.24Å; I50-F292 PolarHBondContact N-O 3.33Å; I50-G293 WeakPolarHBondContact O-CA 3.41Å; I50-V294 PolarHBondContact O-N 3.16Å; I50-C297 PolarHBondContact O-SG 3.29Å
51	A	96.4	Very high	96.6	Very high	69 Å²	69	58 Å²	58	57%	0.57	31%	0.308	S	S	*	.			trans	-126.3	38	-179.3	0	0	0	0	0	112.7	G53 V294	A51-G53 PolarHBondContact O-N 3.41Å; A51-V294 HydrophobicContact CB-CB 4.11Å
52	M	95.4	Very high	96.9	Very high	64 Å²	64	59.4 Å²	59.4	32%	0.315	31%	0.309	S	S	.	.			trans	-77.3	-2.6	-168.9	-56.6	-178.6	75.9	0	0	114.9	V25 F28 I50 P261 A263 L264	V25-M52 HydrophobicContact CB-CE 4.23Å; F28-M52 HydrophobicContact CE2-SD 3.99Å; F28-M52 HydrophobicContact CZ-SD 3.66Å; I50-M52 HydrophobicContact CG2-CG 3.94Å; I50-M52 HydrophobicContact CG2-SD 4.26Å; M52-P261 HydrophobicContact CB-CG 3.94Å; M52-P261 HydrophobicContact CE-CB 3.99Å; M52-P261 HydrophobicContact CE-CG 4.44Å; M52-P261 WeakPolarHBondContact O-CG 3.13Å; M52-A263 HydrophobicContact CE-CB 4.49Å; M52-L264 HydrophobicContact SD-CB 4.03Å
53	G	94.8	Very high	96.9	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	30%	0.302	C	S	.	.			trans	63.1	-144.1	-179.5	0	0	0	0	0	113.6	A51 C297	A51-G53 PolarHBondContact O-N 3.41Å; G53-C297 WeakPolarHBondContact O-CA 3.32Å; G53-C297 VanDerWaalsContact O-CB 3.27Å; G53-C297 WeakPolarHBondContact O-CB 3.47Å
54	V	94.3	Very high	97.1	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.103	29%	0.286	C	S	.	.			trans	-126.9	145.7	177.3	-71.2	0	0	0	0	111.9	K107 C258 S259 F275 D296	V54-K107 HydrophobicContact CG2-CB 4Å; V54-K107 HydrophobicContact CG2-CD 3.81Å; V54-K107 HydrophobicContact CG2-CG 4.06Å; V54-C258 HydrophobicContact CB-CB 4.18Å; V54-C258 HydrophobicContact CG2-CB 4.3Å; V54-S259 CarbonylContact C-O 3.51Å; V54-S259 WeakPolarHBondContact CA-O 3.36Å; V54-S259 WeakPolarHBondContact CB-O 3.35Å; V54-F275 HydrophobicContact CG1-CE1 3.96Å; V54-D296 HydrophobicContact CB-CB 4.38Å; V54-D296 HydrophobicContact CG1-CB 3.7Å; V54-D296 WeakPolarHBondContact CG1-O 3.49Å; V54-D296 HydrophobicContact CG2-CB 4.1Å
55	Q	95.9	Very high	97	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.9	170.7	-177.7	173.9	-4.6	0	0	110.1	C258 S259	Q55-C258 VanDerWaalsContact O-CA 3.27Å; Q55-C258 WeakPolarHBondContact O-CA 3.42Å; Q55-S259 PolarHBondContact N-O 3.26Å; Q55-S259 PolarHBondContact O-N 3.16Å; Q55-S259 VanDerWaalsContact O-N 3.08Å
56	L	96.8	Very high	97	Very high	36 Å²	36	57.8 Å²	57.8	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.3	172.2	-53.3	177.9	0	0	0	108.9	Y58 Y77 P256	L56-Y58 HydrophobicContact CB-CD2 4.09Å; L56-Y58 HydrophobicContact CB-CE2 3.76Å; L56-Y58 HydrophobicContact CD1-CE2 3.88Å; L56-Y58 HydrophobicContact CG-CE2 4.46Å; L56-Y77 VanDerWaalsContact CD1-O 3.28Å; L56-Y77 WeakPolarHBondContact CD1-O 3.48Å; L56-Y77 HydrophobicContact CD2-CD1 4.15Å; L56-P256 HydrophobicContact CB-CG 4.43Å; L56-P256 HydrophobicContact CD2-CG 3.99Å
57	R	97.3	Very high	97	Very high	49 Å²	49	51.3 Å²	51.3	19%	0.185	27%	0.265	C	S	.	.			trans	-109.4	60	-173.7	-65.2	-63.5	-58.6	-77	-1.3	111.8	D59 M60 P257 S259	R57-D59 WeakPolarHBondContact CA-OD1 3.4Å; R57-D59 WeakPolarHBondContact CD-OD1 3.35Å; R57-D59 IonicContact CZ-OD2 3.67Å; R57-D59 VanDerWaalsContact NE-CG 3.32Å; R57-D59 IonicContact NE-OD1 3.59Å; R57-D59 PolarHBondContact NE-OD1 3.34Å; R57-D59 IonicContact NE-OD2 2.8Å; R57-D59 PolarHBondContact NE-OD2 3.06Å; R57-D59 IonicContact NH2-OD2 3.24Å; R57-D59 PolarHBondContact NH2-OD2 3.45Å; R57-D59 PolarHBondContact O-N 3.33Å; R57-M60 HydrophobicContact CB-CB 4.42Å; R57-M60 HydrophobicContact CB-CG 3.83Å; R57-M60 HydrophobicContact CB-SD 3.53Å; R57-M60 VanDerWaalsContact CB-SD 3.53Å; R57-M60 HydrophobicContact CG-SD 3.99Å; R57-M60 WeakPolarHBondContact O-CB 3.48Å; R57-M60 PolarHBondContact O-N 2.82Å; R57-P257 WeakPolarHBondContact CA-O 3.39Å; R57-P257 HydrophobicContact CB-CB 4.21Å; R57-P257 WeakPolarHBondContact CB-O 3.44Å; R57-P257 PolarHBondContact N-O 2.57Å; R57-S259 WeakPolarHBondContact CG-OG 3.47Å
58	Y	97.9	Very high	97	Very high	17 Å²	17	46.9 Å²	46.9	7%	0.067	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.8	171.5	-62.6	-79.2	0	0	0	112	L56 M60 I61 L68 S75 I254 P256	L56-Y58 HydrophobicContact CB-CD2 4.09Å; L56-Y58 HydrophobicContact CB-CE2 3.76Å; L56-Y58 HydrophobicContact CD1-CE2 3.88Å; L56-Y58 HydrophobicContact CG-CE2 4.46Å; Y58-M60 PolarHBondContact O-N 2.85Å; Y58-I61 PolarHBondContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-O 3.1Å; Y58-L68 HydrophobicContact CD1-CD1 3.46Å; Y58-L68 VanDerWaalsContact CD1-CD1 3.46Å; Y58-L68 HydrophobicContact CD2-CD1 4.38Å; Y58-L68 HydrophobicContact CE1-CD1 3.57Å; Y58-L68 HydrophobicContact CE2-CD1 4.48Å; Y58-L68 HydrophobicContact CG-CD1 3.89Å; Y58-S75 WeakPolarHBondContact OH-CB 3.11Å; Y58-S75 PolarHBondContact OH-OG 3.01Å; Y58-I254 HydrophobicContact CD1-CG2 4.18Å; Y58-I254 HydrophobicContact CE1-CG2 4.14Å; Y58-P256 HydrophobicContact CD1-CB 3.69Å; Y58-P256 HydrophobicContact CD1-CG 4.47Å; Y58-P256 HydrophobicContact CD2-CB 4.42Å; Y58-P256 HydrophobicContact CE1-CB 3.49Å; Y58-P256 VanDerWaalsContact CE1-CB 3.49Å; Y58-P256 HydrophobicContact CE1-CG 3.79Å; Y58-P256 HydrophobicContact CE2-CB 4.24Å; Y58-P256 HydrophobicContact CE2-CG 4.32Å; Y58-P256 HydrophobicContact CG-CB 4.17Å
59	D	97.4	Very high	97	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.6	173.5	57.9	-66.8	0	0	0	114.3	R57 I61	R57-D59 WeakPolarHBondContact CA-OD1 3.4Å; R57-D59 WeakPolarHBondContact CD-OD1 3.35Å; R57-D59 IonicContact CZ-OD2 3.67Å; R57-D59 VanDerWaalsContact NE-CG 3.32Å; R57-D59 IonicContact NE-OD1 3.59Å; R57-D59 PolarHBondContact NE-OD1 3.34Å; R57-D59 IonicContact NE-OD2 2.8Å; R57-D59 PolarHBondContact NE-OD2 3.06Å; R57-D59 IonicContact NH2-OD2 3.24Å; R57-D59 PolarHBondContact NH2-OD2 3.45Å; R57-D59 PolarHBondContact O-N 3.33Å; D59-I61 PolarHBondContact O-N 2.97Å
60	M	97.2	Very high	96.9	Very high	97 Å²	97	50.5 Å²	50.5	48%	0.478	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-78.6	-8.2	174.7	-68	176.2	65.8	0	0	113	R57 Y58 P257	R57-M60 HydrophobicContact CB-CB 4.42Å; R57-M60 HydrophobicContact CB-CG 3.83Å; R57-M60 HydrophobicContact CB-SD 3.53Å; R57-M60 VanDerWaalsContact CB-SD 3.53Å; R57-M60 HydrophobicContact CG-SD 3.99Å; R57-M60 WeakPolarHBondContact O-CB 3.48Å; R57-M60 PolarHBondContact O-N 2.82Å; Y58-M60 PolarHBondContact O-N 2.85Å; M60-P257 HydrophobicContact CB-CB 4.34Å; M60-P257 HydrophobicContact CB-CG 4.17Å; M60-P257 HydrophobicContact CE-CB 4.35Å; M60-P257 HydrophobicContact SD-CB 3.93Å
61	I	98.6	Very high	96.9	Very high	4 Å²	4	55 Å²	55	2%	0.021	30%	0.296	C	S	.	.	S	Bend	trans	-111.7	115.8	175	-57.3	165.7	0	0	0	106.9	Y58 D59 G63 A64 L219 I220 V222 I254 P257	Y58-I61 PolarHBondContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-O 3.1Å; D59-I61 PolarHBondContact O-N 2.97Å; I61-G63 PolarHBondContact O-N 3.47Å; I61-A64 HydrophobicContact CB-CB 3.61Å; I61-A64 HydrophobicContact CG2-CB 3.69Å; I61-A64 WeakPolarHBondContact O-CB 3.43Å; I61-A64 PolarHBondContact O-N 3.07Å; I61-A64 VanDerWaalsContact O-N 3.13Å; I61-L219 HydrophobicContact CD1-CD2 4.01Å; I61-L219 HydrophobicContact CD1-CG 4.35Å; I61-L219 HydrophobicContact CG2-CD2 4.16Å; I61-L219 HydrophobicContact CG2-CG 3.97Å; I61-I220 CarbonylContact C-O 3.52Å; I61-I220 WeakPolarHBondContact CA-O 3.42Å; I61-V222 HydrophobicContact CG2-CG2 4.08Å; I61-I254 HydrophobicContact CD1-CG2 3.81Å; I61-P257 HydrophobicContact CD1-CG 4.24Å; I61-P257 HydrophobicContact CG1-CG 4.2Å
62	K	98.6	Very high	96.8	Very high	135 Å²	135	52.2 Å²	52.2	59%	0.587	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-58.2	129.2	-179.6	-177.4	-178.3	170.5	-148.7	0	110.1	A64 I220 E221 V222	K62-A64 PolarHBondContact O-N 3.17Å; K62-I220 PolarHBondContact N-O 2.86Å; K62-E221 HydrophobicContact CB-CB 4.06Å; K62-E221 HydrophobicContact CB-CG 4.07Å; K62-E221 HydrophobicContact CD-CG 4.15Å; K62-E221 WeakPolarHBondContact CD-OE1 3.49Å; K62-E221 VanDerWaalsContact CE-OE1 3.26Å; K62-E221 WeakPolarHBondContact CE-OE1 3.43Å; K62-E221 HydrophobicContact CG-CG 4.23Å; K62-E221 IonicContact NZ-OE1 3.73Å; K62-E221 PolarHBondContact NZ-OE1 3.47Å; K62-E221 IonicContact NZ-OE2 3.78Å; K62-E221 CarbonylContact O-C 3.58Å; K62-E221 VanDerWaalsContact O-CA 3.32Å; K62-E221 WeakPolarHBondContact O-CA 3.27Å; K62-V222 PolarHBondContact O-N 3.3Å
63	G	98.1	Very high	97	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-2.2	179.7	0	0	0	0	0	115.9	I61 K65 E66 A67	I61-G63 PolarHBondContact O-N 3.47Å; G63-K65 PolarHBondContact O-N 2.72Å; G63-E66 VanDerWaalsContact C-OE2 3.24Å; G63-E66 VanDerWaalsContact CA-OE2 3.3Å; G63-E66 WeakPolarHBondContact CA-OE2 3.45Å; G63-A67 WeakPolarHBondContact O-CB 3.5Å; G63-A67 PolarHBondContact O-N 3.2Å
64	A	98.1	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-31.3	-173.3	0	0	0	0	0	114.3	I61 K62 L68 I254	I61-A64 HydrophobicContact CB-CB 3.61Å; I61-A64 HydrophobicContact CG2-CB 3.69Å; I61-A64 WeakPolarHBondContact O-CB 3.43Å; I61-A64 PolarHBondContact O-N 3.07Å; I61-A64 VanDerWaalsContact O-N 3.13Å; K62-A64 PolarHBondContact O-N 3.17Å; A64-L68 WeakPolarHBondContact O-CD1 3.36Å; A64-L68 VanDerWaalsContact O-CG 3.23Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.15Å; A64-L68 VanDerWaalsContact O-N 3.08Å; A64-I254 HydrophobicContact CB-CD1 4.07Å
65	K	96.9	Very high	97.3	Very high	105 Å²	105	47.5 Å²	47.5	46%	0.457	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-47.8	179.1	-75	-178.3	176.9	173.1	0	110.3	G63 A67 L68	G63-K65 PolarHBondContact O-N 2.72Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-L68 PolarHBondContact O-N 3.42Å
66	E	96.8	Very high	97.3	Very high	125 Å²	125	46.7 Å²	46.7	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-63.3	-42.6	176.9	-58.2	74.5	-163.2	0	0	110.2	G63 L68 D69	G63-E66 VanDerWaalsContact C-OE2 3.24Å; G63-E66 VanDerWaalsContact CA-OE2 3.3Å; G63-E66 WeakPolarHBondContact CA-OE2 3.45Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 2.91Å; E66-D69 PolarHBondContact O-N 3.19Å; E66-D69 VanDerWaalsContact O-N 3.11Å
67	A	97.7	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-34.6	177.8	0	0	0	0	0	113.4	G63 K65 D69 T70 V73 V222 T224	G63-A67 WeakPolarHBondContact O-CB 3.5Å; G63-A67 PolarHBondContact O-N 3.2Å; K65-A67 VanDerWaalsContact C-N 3.33Å; A67-D69 PolarHBondContact O-N 3.33Å; A67-D69 VanDerWaalsContact O-N 3.1Å; A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 PolarHBondContact O-OG1 2.96Å; A67-V73 HydrophobicContact CB-CG1 4.14Å; A67-V73 HydrophobicContact CB-CG2 4.28Å; A67-V73 VanDerWaalsContact O-CB 3.28Å; A67-V73 WeakPolarHBondContact O-CB 3.35Å; A67-V222 HydrophobicContact CB-CB 4.15Å; A67-V222 HydrophobicContact CB-CG1 3.57Å; A67-T224 HydrophobicContact CB-CG2 3.46Å; A67-T224 VanDerWaalsContact CB-CG2 3.46Å
68	L	97.3	Very high	97.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.5	177.9	-76.4	161.1	0	0	0	113.4	Y58 A64 K65 E66 V73 Y81 K84 I254	Y58-L68 HydrophobicContact CD1-CD1 3.46Å; Y58-L68 VanDerWaalsContact CD1-CD1 3.46Å; Y58-L68 HydrophobicContact CD2-CD1 4.38Å; Y58-L68 HydrophobicContact CE1-CD1 3.57Å; Y58-L68 HydrophobicContact CE2-CD1 4.48Å; Y58-L68 HydrophobicContact CG-CD1 3.89Å; A64-L68 WeakPolarHBondContact O-CD1 3.36Å; A64-L68 VanDerWaalsContact O-CG 3.23Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.15Å; A64-L68 VanDerWaalsContact O-N 3.08Å; K65-L68 PolarHBondContact O-N 3.42Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 2.91Å; L68-V73 HydrophobicContact CD2-CG1 4.24Å; L68-Y81 HydrophobicContact CB-CD1 3.89Å; L68-Y81 HydrophobicContact CB-CD2 3.99Å; L68-Y81 HydrophobicContact CB-CE1 3.66Å; L68-Y81 HydrophobicContact CB-CE2 3.79Å; L68-Y81 HydrophobicContact CB-CG 4.05Å; L68-Y81 HydrophobicContact CD1-CD2 3.75Å; L68-Y81 HydrophobicContact CD1-CE2 3.65Å; L68-Y81 HydrophobicContact CD2-CD2 4.03Å; L68-Y81 HydrophobicContact CD2-CG 4.02Å; L68-Y81 HydrophobicContact CG-CD2 4.14Å; L68-Y81 HydrophobicContact CG-CE2 4.21Å; L68-Y81 HydrophobicContact CG-CG 4.42Å; L68-K84 WeakPolarHBondContact O-CD 3.47Å; L68-K84 PolarHBondContact O-NZ 2.92Å; L68-I254 HydrophobicContact CD2-CD1 4.49Å; L68-I254 HydrophobicContact CG-CD1 4.44Å
69	D	96	Very high	96.9	Very high	117 Å²	117	45.8 Å²	45.8	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.3	173.7	-62.7	-34.7	0	0	0	112.9	E66 A67 Y81	E66-D69 PolarHBondContact O-N 3.19Å; E66-D69 VanDerWaalsContact O-N 3.11Å; A67-D69 PolarHBondContact O-N 3.33Å; A67-D69 VanDerWaalsContact O-N 3.1Å; D69-Y81 WeakPolarHBondContact OD1-CE1 3.48Å; D69-Y81 PolarHBondContact OD1-OH 2.67Å
70	T	96.2	Very high	96.6	Very high	40 Å²	40	50.3 Å²	50.3	25%	0.245	26%	0.261	C	S	.	.	S	Bend	trans	-98.2	154.8	179.9	68.6	0	0	0	0	113.2	A67 K84 T224	A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 PolarHBondContact O-OG1 2.96Å; T70-K84 PolarHBondContact O-NZ 3.13Å; T70-T224 HydrophobicContact CG2-CG2 4.01Å; T70-T224 WeakPolarHBondContact OG1-CG2 3.31Å
71	P	96.4	Very high	96.5	Very high	100 Å²	100	47.6 Å²	47.6	65%	0.649	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	151.8	172.5	-24.4	34.8	0	0	0	112.8	V73	P71-V73 VanDerWaalsContact C-N 3.26Å; P71-V73 PolarHBondContact O-N 3.27Å
72	G	96.4	Very high	96.2	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-4.1	178.1	0	0	0	0	0	115.4	E88 L251 L252	G72-E88 WeakPolarHBondContact CA-OE2 3.44Å; G72-E88 PolarHBondContact N-OE1 3.27Å; G72-E88 PolarHBondContact N-OE2 2.99Å; G72-L251 CarbonylContact O-C 3.57Å; G72-L251 VanDerWaalsContact O-CA 3.31Å; G72-L251 WeakPolarHBondContact O-CA 3.26Å; G72-L252 PolarHBondContact O-N 3.36Å
73	V	98.2	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.7	178	-173.7	0	0	0	0	110.8	A67 L68 P71 K84 Y249 L252 I254	A67-V73 HydrophobicContact CB-CG1 4.14Å; A67-V73 HydrophobicContact CB-CG2 4.28Å; A67-V73 VanDerWaalsContact O-CB 3.28Å; A67-V73 WeakPolarHBondContact O-CB 3.35Å; L68-V73 HydrophobicContact CD2-CG1 4.24Å; P71-V73 VanDerWaalsContact C-N 3.26Å; P71-V73 PolarHBondContact O-N 3.27Å; V73-K84 WeakPolarHBondContact O-CE 3.49Å; V73-K84 PolarHBondContact O-NZ 3.16Å; V73-Y249 HydrophobicContact CG2-CE2 3.58Å; V73-L252 CarbonylContact C-O 3.53Å; V73-L252 WeakPolarHBondContact CA-O 3.1Å; V73-L252 HydrophobicContact CG1-CB 4.45Å; V73-L252 HydrophobicContact CG1-CD2 4.2Å; V73-L252 HydrophobicContact CG1-CG 4.37Å; V73-L252 HydrophobicContact CG2-CB 4.3Å; V73-L252 HydrophobicContact CG2-CD2 4.46Å; V73-I254 HydrophobicContact CG1-CD1 3.78Å; V73-I254 HydrophobicContact CG1-CG1 4.23Å
74	C	97.8	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.5	-176.3	67.5	0	0	0	0	113.1	K84 H85 E88 L252 H253 I254	C74-K84 HydrophobicContact CB-CB 3.9Å; C74-H85 HydrophobicContact CB-CB 4.19Å; C74-E88 HydrophobicContact CB-CG 4.36Å; C74-L252 PolarHBondContact N-O 3.25Å; C74-H253 CarbonylContact O-C 3.58Å; C74-H253 WeakPolarHBondContact O-CA 3.31Å; C74-I254 PolarHBondContact O-N 3.26Å
75	S	97.8	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.			trans	-155.5	132.9	167.9	-174.3	0	0	0	0	111.4	Y58 Y77 Y81 V82 I254	Y58-S75 WeakPolarHBondContact OH-CB 3.11Å; Y58-S75 PolarHBondContact OH-OG 3.01Å; S75-Y77 PolarHBondContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 3.04Å; S75-Y81 CarbonylContact O-C 3.57Å; S75-Y81 VanDerWaalsContact O-C 3.3Å; S75-V82 WeakPolarHBondContact O-CA 3.32Å; S75-V82 PolarHBondContact O-N 2.92Å; S75-I254 WeakPolarHBondContact CB-O 3.49Å; S75-I254 PolarHBondContact OG-O 3.4Å
76	N	97	Very high	95.7	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.1	175.9	-67	-39.7	0	0	0	114.1	V82 H85 A115 H253	N76-V82 HydrophobicContact CB-CG2 4.33Å; N76-H85 PolarHBondContact ND2-ND1 3.32Å; N76-H85 WeakPolarHBondContact OD1-CB 2.98Å; N76-H85 PolarHBondContact OD1-ND1 2.91Å; N76-A115 WeakPolarHBondContact ND2-CB 3.5Å; N76-H253 PolarHBondContact N-NE2 3.31Å; N76-H253 PolarHBondContact ND2-NE2 3.43Å; N76-H253 VanDerWaalsContact ND2-NE2 3.11Å
77	Y	95.9	Very high	95.7	Very high	24 Å²	24	50 Å²	50	9%	0.094	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.7	-174.4	-80.9	-95.7	0	0	0	113.7	L56 S75 I106 K107 C108 A111 P112 P256	L56-Y77 VanDerWaalsContact CD1-O 3.28Å; L56-Y77 WeakPolarHBondContact CD1-O 3.48Å; L56-Y77 HydrophobicContact CD2-CD1 4.15Å; S75-Y77 PolarHBondContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 3.04Å; Y77-I106 HydrophobicContact CD1-CD1 4.43Å; Y77-I106 HydrophobicContact CD1-CG1 4.45Å; Y77-I106 HydrophobicContact CE1-CD1 3.59Å; Y77-I106 HydrophobicContact CE1-CG1 3.55Å; Y77-I106 HydrophobicContact CE2-CD1 3.99Å; Y77-I106 WeakPolarHBondContact OH-CD1 3.15Å; Y77-K107 HydrophobicContact CD1-CG 4.05Å; Y77-K107 HydrophobicContact CE1-CG 3.84Å; Y77-K107 WeakPolarHBondContact CE1-O 3.43Å; Y77-K107 PolarHBondContact OH-O 2.68Å; Y77-K107 VanDerWaalsContact OH-O 3.08Å; Y77-C108 PolarHBondContact OH-O 2.85Å; Y77-A111 HydrophobicContact CE2-CB 4.29Å; Y77-P112 HydrophobicContact CE2-CG 4.04Å; Y77-P112 VanDerWaalsContact OH-CD 3.31Å; Y77-P112 WeakPolarHBondContact OH-CD 3.43Å; Y77-P256 HydrophobicContact CD1-CG 4.31Å; Y77-P256 HydrophobicContact CD2-CG 4.35Å; Y77-P256 HydrophobicContact CG-CG 3.91Å
78	S	94.4	Very high	95.6	Very high	8 Å²	8	51.4 Å²	51.4	6%	0.056	26%	0.256	C	S	.	.	S	Bend	trans	-103.7	133.2	-178.6	178.3	0	0	0	0	110.5	F80 Y81 V82	S78-F80 PolarHBondContact O-N 3.12Å; S78-F80 WeakPolarHBondContact OG-CD2 3.41Å; S78-F80 PolarHBondContact OG-N 3.47Å; S78-Y81 PolarHBondContact O-N 2.84Å; S78-Y81 VanDerWaalsContact O-N 3.13Å; S78-Y81 WeakPolarHBondContact OG-CD2 3.26Å; S78-V82 WeakPolarHBondContact O-CB 3.37Å; S78-V82 PolarHBondContact O-N 3.11Å
79	P	91.9	Very high	95.6	Very high	50 Å²	50	51.4 Å²	51.4	33%	0.325	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	171.5	25.1	-32.8	0	0	0	113	L3 Y81	L3-P79 HydrophobicContact CD1-CB 4.14Å; L3-P79 HydrophobicContact CD2-CB 3.98Å; L3-P79 WeakPolarHBondContact CD2-O 3.32Å; P79-Y81 VanDerWaalsContact C-N 3.3Å; P79-Y81 PolarHBondContact O-N 3.39Å
80	F	92.2	Very high	95.6	Very high	166 Å²	166	49.2 Å²	49.2	73%	0.728	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-23	179	-55	-67.5	0	0	0	112.8	S78	S78-F80 PolarHBondContact O-N 3.12Å; S78-F80 WeakPolarHBondContact OG-CD2 3.41Å; S78-F80 PolarHBondContact OG-N 3.47Å
81	Y	93.3	Very high	95.6	Very high	40 Å²	40	52.3 Å²	52.3	16%	0.157	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-10.2	-170.3	-54.4	-55.3	0	0	0	114	L68 D69 S75 S78 P79 E83 K84	L68-Y81 HydrophobicContact CB-CD1 3.89Å; L68-Y81 HydrophobicContact CB-CD2 3.99Å; L68-Y81 HydrophobicContact CB-CE1 3.66Å; L68-Y81 HydrophobicContact CB-CE2 3.79Å; L68-Y81 HydrophobicContact CB-CG 4.05Å; L68-Y81 HydrophobicContact CD1-CD2 3.75Å; L68-Y81 HydrophobicContact CD1-CE2 3.65Å; L68-Y81 HydrophobicContact CD2-CD2 4.03Å; L68-Y81 HydrophobicContact CD2-CG 4.02Å; L68-Y81 HydrophobicContact CG-CD2 4.14Å; L68-Y81 HydrophobicContact CG-CE2 4.21Å; L68-Y81 HydrophobicContact CG-CG 4.42Å; D69-Y81 WeakPolarHBondContact OD1-CE1 3.48Å; D69-Y81 PolarHBondContact OD1-OH 2.67Å; S75-Y81 CarbonylContact O-C 3.57Å; S75-Y81 VanDerWaalsContact O-C 3.3Å; S78-Y81 PolarHBondContact O-N 2.84Å; S78-Y81 VanDerWaalsContact O-N 3.13Å; S78-Y81 WeakPolarHBondContact OG-CD2 3.26Å; P79-Y81 VanDerWaalsContact C-N 3.3Å; P79-Y81 PolarHBondContact O-N 3.39Å; Y81-E83 VanDerWaalsContact C-N 3.3Å; Y81-E83 PolarHBondContact O-N 3.2Å; Y81-K84 HydrophobicContact CD1-CD 4.3Å; Y81-K84 VanDerWaalsContact O-CB 3.3Å; Y81-K84 WeakPolarHBondContact O-CB 3.27Å; Y81-K84 PolarHBondContact O-N 3.44Å
82	V	93.9	Very high	95.7	Very high	44 Å²	44	48.1 Å²	48.1	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-36	-174.4	63.5	0	0	0	0	113.1	L3 S75 N76 S78 K84 H85	L3-V82 HydrophobicContact CD1-CG1 4.11Å; S75-V82 WeakPolarHBondContact O-CA 3.32Å; S75-V82 PolarHBondContact O-N 2.92Å; N76-V82 HydrophobicContact CB-CG2 4.33Å; S78-V82 WeakPolarHBondContact O-CB 3.37Å; S78-V82 PolarHBondContact O-N 3.11Å; V82-K84 PolarHBondContact O-N 3.31Å; V82-H85 PolarHBondContact O-N 3.34Å
83	E	93.6	Very high	95.6	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-72.4	-18.9	179.5	-62.4	-166.5	148	0	0	112.7	L3 Y81 H85 K87	L3-E83 HydrophobicContact CB-CG 4.25Å; L3-E83 WeakPolarHBondContact CB-OE1 3.43Å; L3-E83 PolarHBondContact N-OE1 3.01Å; L3-E83 VanDerWaalsContact N-OE1 3.11Å; Y81-E83 VanDerWaalsContact C-N 3.3Å; Y81-E83 PolarHBondContact O-N 3.2Å; E83-H85 VanDerWaalsContact C-N 3.35Å; E83-K87 WeakPolarHBondContact O-CG 3.49Å
84	K	95.6	Very high	95.6	Very high	37 Å²	37	55.8 Å²	55.8	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-39.4	174.7	-63	-173.1	73.9	-165.6	0	111.1	L68 T70 V73 C74 Y81 V82 Y86 K87 E88	L68-K84 WeakPolarHBondContact O-CD 3.47Å; L68-K84 PolarHBondContact O-NZ 2.92Å; T70-K84 PolarHBondContact O-NZ 3.13Å; V73-K84 WeakPolarHBondContact O-CE 3.49Å; V73-K84 PolarHBondContact O-NZ 3.16Å; C74-K84 HydrophobicContact CB-CB 3.9Å; Y81-K84 HydrophobicContact CD1-CD 4.3Å; Y81-K84 VanDerWaalsContact O-CB 3.3Å; Y81-K84 WeakPolarHBondContact O-CB 3.27Å; Y81-K84 PolarHBondContact O-N 3.44Å; V82-K84 PolarHBondContact O-N 3.31Å; K84-Y86 VanDerWaalsContact C-N 3.32Å; K84-Y86 PolarHBondContact O-N 3.36Å; K84-K87 CarbonylContact O-C 3.49Å; K84-K87 WeakPolarHBondContact O-CA 3.47Å; K84-K87 WeakPolarHBondContact O-CB 3.4Å; K84-K87 PolarHBondContact O-N 3.19Å; K84-E88 HydrophobicContact CB-CG 4.42Å; K84-E88 WeakPolarHBondContact O-CG 3.21Å; K84-E88 PolarHBondContact O-N 2.83Å
85	H	96.1	Very high	95.6	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-45.7	-173.2	177.9	-133.9	0	0	0	113.2	C74 N76 V82 E83 A89 Y99 T119	C74-H85 HydrophobicContact CB-CB 4.19Å; N76-H85 PolarHBondContact ND2-ND1 3.32Å; N76-H85 WeakPolarHBondContact OD1-CB 2.98Å; N76-H85 PolarHBondContact OD1-ND1 2.91Å; V82-H85 PolarHBondContact O-N 3.34Å; E83-H85 VanDerWaalsContact C-N 3.35Å; H85-A89 VanDerWaalsContact O-CB 3.26Å; H85-A89 WeakPolarHBondContact O-CB 3.47Å; H85-A89 PolarHBondContact O-N 3.5Å; H85-Y99 AromaticContact NE2-CE1 3.8Å; H85-T119 PolarHBondContact NE2-OG1 3.3Å
86	Y	95.3	Very high	95.6	Very high	137 Å²	137	59.2 Å²	59.2	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-42.3	176.1	-180	-107.8	0	0	0	112.2	K84 A89 M90 I122	K84-Y86 VanDerWaalsContact C-N 3.32Å; K84-Y86 PolarHBondContact O-N 3.36Å; Y86-A89 PolarHBondContact O-N 3.5Å; Y86-M90 HydrophobicContact CD1-CG 4.3Å; Y86-M90 HydrophobicContact CD2-CG 4.25Å; Y86-M90 HydrophobicContact CE1-CG 3.88Å; Y86-M90 HydrophobicContact CE2-CG 3.81Å; Y86-M90 HydrophobicContact CE2-SD 4.02Å; Y86-M90 HydrophobicContact CG-CG 4.48Å; Y86-M90 WeakPolarHBondContact O-CB 3.21Å; Y86-M90 VanDerWaalsContact O-CG 3.27Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.13Å; Y86-I122 HydrophobicContact CD2-CD1 3.98Å; Y86-I122 HydrophobicContact CE2-CD1 4.19Å
87	K	95.8	Very high	95.7	Very high	121 Å²	121	56.8 Å²	56.8	53%	0.526	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-48.2	177.7	-66.2	175.8	-177.8	177.7	0	111.3	E83 K84 M90 N91	E83-K87 WeakPolarHBondContact O-CG 3.49Å; K84-K87 CarbonylContact O-C 3.49Å; K84-K87 WeakPolarHBondContact O-CA 3.47Å; K84-K87 WeakPolarHBondContact O-CB 3.4Å; K84-K87 PolarHBondContact O-N 3.19Å; K87-M90 PolarHBondContact O-N 3.19Å; K87-N91 WeakPolarHBondContact O-CB 3.3Å; K87-N91 VanDerWaalsContact O-CG 3.31Å; K87-N91 PolarHBondContact O-N 2.91Å; K87-N91 PolarHBondContact O-ND2 2.74Å
88	E	97.1	Very high	95.9	Very high	30 Å²	30	55.6 Å²	55.6	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-42.5	178.1	-58.8	-54.6	157.3	0	0	111.4	G72 C74 K84 M90 N91 F92 L251	G72-E88 WeakPolarHBondContact CA-OE2 3.44Å; G72-E88 PolarHBondContact N-OE1 3.27Å; G72-E88 PolarHBondContact N-OE2 2.99Å; C74-E88 HydrophobicContact CB-CG 4.36Å; K84-E88 HydrophobicContact CB-CG 4.42Å; K84-E88 WeakPolarHBondContact O-CG 3.21Å; K84-E88 PolarHBondContact O-N 2.83Å; E88-M90 VanDerWaalsContact C-N 3.26Å; E88-M90 PolarHBondContact O-N 3.23Å; E88-N91 PolarHBondContact O-N 3.44Å; E88-F92 WeakPolarHBondContact O-CB 3.19Å; E88-F92 PolarHBondContact O-N 3.22Å; E88-L251 HydrophobicContact CB-CD1 3.53Å; E88-L251 HydrophobicContact CG-CD1 4.23Å
89	A	96.8	Very high	96	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-28.6	175.4	0	0	0	0	0	113.2	H85 Y86 T119 I122 R126	H85-A89 VanDerWaalsContact O-CB 3.26Å; H85-A89 WeakPolarHBondContact O-CB 3.47Å; H85-A89 PolarHBondContact O-N 3.5Å; Y86-A89 PolarHBondContact O-N 3.5Å; A89-T119 HydrophobicContact CB-CG2 4.03Å; A89-I122 HydrophobicContact CB-CD1 4.18Å; A89-I122 HydrophobicContact CB-CG2 4.4Å; A89-R126 PolarHBondContact O-NH1 3.08Å
90	M	96.7	Very high	96.4	Very high	72 Å²	72	52.9 Å²	52.9	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-82.7	-27.7	174.5	-70.5	-65.9	-73.8	0	0	113	Y86 K87 E88 I122 R126	Y86-M90 HydrophobicContact CD1-CG 4.3Å; Y86-M90 HydrophobicContact CD2-CG 4.25Å; Y86-M90 HydrophobicContact CE1-CG 3.88Å; Y86-M90 HydrophobicContact CE2-CG 3.81Å; Y86-M90 HydrophobicContact CE2-SD 4.02Å; Y86-M90 HydrophobicContact CG-CG 4.48Å; Y86-M90 WeakPolarHBondContact O-CB 3.21Å; Y86-M90 VanDerWaalsContact O-CG 3.27Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.13Å; K87-M90 PolarHBondContact O-N 3.19Å; E88-M90 VanDerWaalsContact C-N 3.26Å; E88-M90 PolarHBondContact O-N 3.23Å; M90-I122 HydrophobicContact SD-CG2 3.83Å; M90-R126 PolarHBondContact O-NE 3.49Å; M90-R126 PolarHBondContact O-NH1 2.83Å; M90-R126 PolarHBondContact O-NH2 2.96Å; M90-R126 HydrophobicContact SD-CG 4.43Å
91	N	96.4	Very high	96.5	Very high	105 Å²	105	45 Å²	45	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-88.8	-19.3	179.4	-71.3	-20.5	0	0	0	113.2	K87 E88 K93	K87-N91 WeakPolarHBondContact O-CB 3.3Å; K87-N91 VanDerWaalsContact O-CG 3.31Å; K87-N91 PolarHBondContact O-N 2.91Å; K87-N91 PolarHBondContact O-ND2 2.74Å; E88-N91 PolarHBondContact O-N 3.44Å; N91-K93 WeakPolarHBondContact O-CD 3.49Å; N91-K93 WeakPolarHBondContact O-CE 3.28Å; N91-K93 WeakPolarHBondContact O-CG 3.43Å; N91-K93 PolarHBondContact O-N 3.31Å
92	F	97.7	Very high	96.6	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.048	22%	0.216	C	C	.	.			trans	-51	128.5	179.5	-174.3	-91.9	0	0	0	111.7	E88 G94 G95 A97 L123 R126 A132 L251	E88-F92 WeakPolarHBondContact O-CB 3.19Å; E88-F92 PolarHBondContact O-N 3.22Å; F92-G94 VanDerWaalsContact CE1-CA 3.45Å; F92-G94 WeakPolarHBondContact CE2-O 3.46Å; F92-G94 VanDerWaalsContact CZ-O 3.3Å; F92-G94 WeakPolarHBondContact CZ-O 3.42Å; F92-G95 WeakPolarHBondContact CZ-O 3.46Å; F92-A97 HydrophobicContact CE2-CB 4.03Å; F92-A97 HydrophobicContact CZ-CB 4.14Å; F92-L123 HydrophobicContact CB-CD2 4.09Å; F92-L123 HydrophobicContact CD1-CD1 4Å; F92-L123 HydrophobicContact CD1-CD2 3.79Å; F92-L123 HydrophobicContact CE1-CD1 4.15Å; F92-L123 HydrophobicContact CG-CD2 4.25Å; F92-R126 PolarHBondContact O-NH1 2.88Å; F92-R126 PolarHBondContact O-NH2 3.1Å; F92-A132 HydrophobicContact CD1-CB 4.49Å; F92-A132 HydrophobicContact CE1-CB 3.51Å; F92-A132 HydrophobicContact CZ-CB 3.95Å; F92-L251 HydrophobicContact CD2-CB 3.71Å; F92-L251 HydrophobicContact CD2-CD2 4.46Å; F92-L251 HydrophobicContact CE2-CB 3.96Å
93	K	95	Very high	96.6	Very high	151 Å²	151	44 Å²	44	66%	0.657	22%	0.218	S	C	*	.			trans	-107.6	-36.6	-178.6	-58.8	-57.2	-178.7	175.7	0	112.6	N91 Q131	N91-K93 WeakPolarHBondContact O-CD 3.49Å; N91-K93 WeakPolarHBondContact O-CE 3.28Å; N91-K93 WeakPolarHBondContact O-CG 3.43Å; N91-K93 PolarHBondContact O-N 3.31Å; K93-Q131 WeakPolarHBondContact O-CB 3.38Å; K93-Q131 VanDerWaalsContact O-CD 3.3Å; K93-Q131 PolarHBondContact O-OE1 3.41Å
94	G	96.8	Very high	96.4	Very high	19 Å²	19	40.9 Å²	40.9	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	172.4	178.1	179.1	0	0	0	0	0	111.3	F92 Q131 S250	F92-G94 VanDerWaalsContact CE1-CA 3.45Å; F92-G94 WeakPolarHBondContact CE2-O 3.46Å; F92-G94 VanDerWaalsContact CZ-O 3.3Å; F92-G94 WeakPolarHBondContact CZ-O 3.42Å; G94-Q131 CarbonylContact C-O 3.58Å; G94-Q131 WeakPolarHBondContact CA-O 3.29Å; G94-S250 WeakPolarHBondContact O-CB 3.13Å; G94-S250 PolarHBondContact O-OG 2.85Å; G94-S250 VanDerWaalsContact O-OG 3.12Å
95	G	98.1	Very high	95.9	Very high	34 Å²	34	40 Å²	40	35%	0.351	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95.7	-154.1	180	0	0	0	0	0	113.3	F92 Q131 H133	F92-G95 WeakPolarHBondContact CZ-O 3.46Å; G95-Q131 PolarHBondContact N-O 2.96Å; G95-H133 PolarHBondContact O-N 3.43Å
96	N	98.7	Very high	95.5	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.203	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.5	-177.9	-68.5	-23.5	0	0	0	111.3	H133 I135 E248 S250 L251	N96-H133 WeakPolarHBondContact CA-O 3.34Å; N96-H133 WeakPolarHBondContact OD1-CB 3.45Å; N96-H133 PolarHBondContact OD1-ND1 2.85Å; N96-I135 HydrophobicContact CB-CD1 4.09Å; N96-E248 WeakPolarHBondContact CB-O 3.39Å; N96-E248 PolarHBondContact ND2-O 3.2Å; N96-S250 PolarHBondContact O-N 3.11Å; N96-L251 PolarHBondContact O-N 3.01Å
97	A	98.6	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	93.8	167.9	0	0	0	0	0	109.1	F92 Y99 H133 M134 I135 L251	F92-A97 HydrophobicContact CE2-CB 4.03Å; F92-A97 HydrophobicContact CZ-CB 4.14Å; A97-Y99 HydrophobicContact CB-CE2 4.2Å; A97-Y99 WeakPolarHBondContact O-CD2 3.17Å; A97-H133 PolarHBondContact N-O 2.87Å; A97-M134 HydrophobicContact CB-CE 4.27Å; A97-M134 HydrophobicContact CB-SD 3.66Å; A97-I135 PolarHBondContact O-N 3.01Å; A97-L251 CarbonylContact C-O 3.5Å; A97-L251 HydrophobicContact CB-CB 4.38Å; A97-L251 HydrophobicContact CB-CD2 4.45Å
98	L	98.8	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	-168.2	178.7	59.4	0	0	0	112	T100 I135 A137 A229 F231 I247 L251 L252 H253	L98-T100 HydrophobicContact CG-CG2 4.44Å; L98-I135 CarbonylContact C-O 3.56Å; L98-I135 WeakPolarHBondContact CA-O 3.48Å; L98-I135 HydrophobicContact CD1-CB 3.83Å; L98-I135 HydrophobicContact CD1-CG2 3.62Å; L98-A137 HydrophobicContact CD1-CB 3.99Å; L98-A229 HydrophobicContact CD2-CB 3.69Å; L98-F231 HydrophobicContact CD1-CE2 4.41Å; L98-F231 HydrophobicContact CD1-CZ 3.99Å; L98-F231 HydrophobicContact CD2-CE2 3.81Å; L98-F231 HydrophobicContact CD2-CZ 3.83Å; L98-F231 HydrophobicContact CG-CZ 4.21Å; L98-I247 HydrophobicContact CD2-CB 4.19Å; L98-I247 HydrophobicContact CD2-CG2 4.04Å; L98-L251 PolarHBondContact N-O 3.01Å; L98-L252 HydrophobicContact CB-CD1 4.27Å; L98-L252 HydrophobicContact CD2-CD1 3.9Å; L98-L252 HydrophobicContact CG-CD1 3.88Å; L98-L252 CarbonylContact O-C 3.53Å; L98-L252 WeakPolarHBondContact O-CA 3.48Å; L98-H253 PolarHBondContact O-N 2.68Å
99	Y	98.6	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.3	179.6	-67.3	-98.2	0	0	0	109.6	H85 A97 A115 C116 T119 M134 I135 Y136 A137 L251 H253	H85-Y99 AromaticContact NE2-CE1 3.8Å; A97-Y99 HydrophobicContact CB-CE2 4.2Å; A97-Y99 WeakPolarHBondContact O-CD2 3.17Å; Y99-A115 HydrophobicContact CD1-CB 3.89Å; Y99-A115 VanDerWaalsContact CE1-C 3.43Å; Y99-A115 HydrophobicContact CE1-CB 3.75Å; Y99-C116 HydrophobicContact CD1-CB 3.81Å; Y99-C116 HydrophobicContact CD2-CB 3.75Å; Y99-C116 HydrophobicContact CE1-CB 4.23Å; Y99-C116 VanDerWaalsContact CE1-N 3.33Å; Y99-C116 HydrophobicContact CE2-CB 4.17Å; Y99-C116 HydrophobicContact CG-CB 3.6Å; Y99-T119 WeakPolarHBondContact OH-CB 3.45Å; Y99-T119 WeakPolarHBondContact OH-CG2 3.35Å; Y99-T119 PolarHBondContact OH-OG1 3.38Å; Y99-M134 HydrophobicContact CD2-CE 4.46Å; Y99-M134 HydrophobicContact CE2-CE 3.74Å; Y99-I135 PolarHBondContact N-O 3.28Å; Y99-Y136 CarbonylContact O-C 3.55Å; Y99-Y136 WeakPolarHBondContact O-CA 3.32Å; Y99-A137 PolarHBondContact O-N 3.25Å; Y99-L251 WeakPolarHBondContact OH-CD2 3.38Å; Y99-H253 HydrophobicContact CD1-CB 3.38Å; Y99-H253 AromaticContact CD1-CG 3.71Å; Y99-H253 HydrophobicContact CE1-CB 3.52Å; Y99-H253 AromaticContact CE1-CG 3.95Å; Y99-H253 HydrophobicContact CG-CB 4.14Å
100	T	98.4	Very high	93.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.1	-173.6	73	0	0	0	0	114.4	L98 P112 A137 L219 F231 L252 H253 I254 G255	L98-T100 HydrophobicContact CG-CG2 4.44Å; T100-P112 WeakPolarHBondContact O-CB 3.42Å; T100-A137 CarbonylContact C-O 3.58Å; T100-A137 VanDerWaalsContact CA-O 3.25Å; T100-A137 WeakPolarHBondContact CA-O 3.49Å; T100-L219 HydrophobicContact CG2-CB 4.24Å; T100-L219 HydrophobicContact CG2-CD2 3.98Å; T100-F231 HydrophobicContact CG2-CE1 3.77Å; T100-F231 HydrophobicContact CG2-CZ 3.71Å; T100-L252 HydrophobicContact CG2-CD1 3.86Å; T100-H253 PolarHBondContact N-O 3.25Å; T100-H253 PolarHBondContact OG1-O 3.19Å; T100-I254 WeakPolarHBondContact OG1-CA 3.42Å; T100-G255 WeakPolarHBondContact O-CA 3.41Å; T100-G255 PolarHBondContact O-N 2.66Å; T100-G255 PolarHBondContact OG1-N 3.18Å
101	F	96.1	Very high	93.6	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.3	170.7	-173.9	-74.6	0	0	0	109.9	I106 A109 P112 Y136 A137 T138 S139 L140 F189	F101-I106 HydrophobicContact CE1-CG2 4.38Å; F101-I106 HydrophobicContact CE2-CG2 3.61Å; F101-I106 HydrophobicContact CZ-CG2 3.48Å; F101-I106 VanDerWaalsContact CZ-CG2 3.48Å; F101-A109 HydrophobicContact CE2-CB 3.68Å; F101-A109 VanDerWaalsContact CE2-O 3.3Å; F101-A109 WeakPolarHBondContact CE2-O 3.43Å; F101-A109 HydrophobicContact CZ-CB 3.87Å; F101-P112 HydrophobicContact CD2-CB 4.44Å; F101-P112 HydrophobicContact CD2-CG 3.93Å; F101-Y136 HydrophobicContact CB-CE2 4.32Å; F101-Y136 WeakPolarHBondContact CD2-OH 3.34Å; F101-A137 PolarHBondContact N-O 2.97Å; F101-T138 WeakPolarHBondContact CB-OG1 3.48Å; F101-S139 PolarHBondContact O-N 3.46Å; F101-S139 VanDerWaalsContact O-N 3.14Å; F101-L140 HydrophobicContact CD1-CD1 4.21Å; F101-L140 HydrophobicContact CD1-CD2 4.29Å; F101-L140 HydrophobicContact CD1-CG 3.88Å; F101-L140 HydrophobicContact CE1-CD1 3.94Å; F101-L140 HydrophobicContact CE1-CD2 3.77Å; F101-L140 HydrophobicContact CE1-CG 3.77Å; F101-L140 HydrophobicContact CE2-CD1 4.5Å; F101-L140 HydrophobicContact CZ-CD1 4.1Å; F101-L140 HydrophobicContact CZ-CD2 4.47Å; F101-L140 HydrophobicContact CZ-CG 4.43Å; F101-F189 HydrophobicContact CE1-CE1 4.07Å; F101-F189 HydrophobicContact CE1-CZ 4.41Å; F101-F189 AromaticContact CZ-CE1 3.89Å; F101-F189 HydrophobicContact CZ-CE1 3.89Å; F101-F189 HydrophobicContact CZ-CZ 4.48Å
102	P	95.4	Very high	93.5	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.026	14%	0.138	C	C	.	.			trans	-81.9	161.4	-168.2	36.3	-38.8	0	0	0	112.8	T104 I106 S139 G255 P256 P257	P102-T104 PolarHBondContact O-N 2.58Å; P102-T104 VanDerWaalsContact O-N 3.09Å; P102-I106 HydrophobicContact CG-CB 4.34Å; P102-I106 HydrophobicContact CG-CD1 3.93Å; P102-S139 PolarHBondContact O-OG 3.08Å; P102-G255 WeakPolarHBondContact CD-O 3.11Å; P102-P256 WeakPolarHBondContact CG-O 3.38Å; P102-P257 HydrophobicContact CB-CB 4.28Å; P102-P257 HydrophobicContact CB-CG 3.9Å
103	N	92.5	Very high	93.2	Very high	59 Å²	59	23.4 Å²	23.4	32%	0.316	14%	0.136	S	C	.	.	S	Bend	trans	-83.1	44.6	172.1	-161.6	22.2	0	0	0	113.3	S139 N218 L234 A238	N103-S139 WeakPolarHBondContact CA-OG 3.23Å; N103-S139 PolarHBondContact N-OG 2.95Å; N103-N218 HydrophobicContact CB-CB 4.11Å; N103-N218 WeakPolarHBondContact CB-OD1 3.34Å; N103-N218 PolarHBondContact N-OD1 3.01Å; N103-L234 HydrophobicContact CB-CD1 4.2Å; N103-A238 PolarHBondContact ND2-O 3.32Å
104	T	89.2	Confident	93.2	Very high	27 Å²	27	17.2 Å²	17.2	17%	0.166	11%	0.109	C	C	.	.	S	Bend	trans	-140.8	164.7	174.9	70	0	0	0	0	110	P102 I106 P257 C258	P102-T104 PolarHBondContact O-N 2.58Å; P102-T104 VanDerWaalsContact O-N 3.09Å; T104-I106 PolarHBondContact O-N 2.79Å; T104-P257 HydrophobicContact CG2-CB 3.86Å; T104-P257 VanDerWaalsContact OG1-CA 3.27Å; T104-P257 WeakPolarHBondContact OG1-CA 3.25Å; T104-C258 PolarHBondContact OG1-N 3.07Å
105	P	85.7	Confident	93.2	Very high	19 Å²	19	16.4 Å²	16.4	12%	0.123	10%	0.101	C	C	.	.			trans	-53.4	143.4	161.7	-24.1	35.6	0	0	0	110.1	C258 F275 K304	P105-C258 VanDerWaalsContact O-CB 3.32Å; P105-C258 WeakPolarHBondContact O-CB 3.44Å; P105-F275 HydrophobicContact CB-CE1 4.47Å; P105-F275 HydrophobicContact CB-CE2 4.16Å; P105-F275 HydrophobicContact CB-CZ 3.75Å; P105-F275 HydrophobicContact CG-CE2 3.73Å; P105-F275 HydrophobicContact CG-CZ 3.87Å; P105-K304 HydrophobicContact CB-CD 4.47Å
106	I	87.8	Confident	93.2	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.041	9%	0.085	C	C	.	.			trans	-140.2	144.4	179.9	-170.4	170.6	0	0	0	109.3	Y77 F101 P102 T104 A109 P112	Y77-I106 HydrophobicContact CD1-CD1 4.43Å; Y77-I106 HydrophobicContact CD1-CG1 4.45Å; Y77-I106 HydrophobicContact CE1-CD1 3.59Å; Y77-I106 HydrophobicContact CE1-CG1 3.55Å; Y77-I106 HydrophobicContact CE2-CD1 3.99Å; Y77-I106 WeakPolarHBondContact OH-CD1 3.15Å; F101-I106 HydrophobicContact CE1-CG2 4.38Å; F101-I106 HydrophobicContact CE2-CG2 3.61Å; F101-I106 HydrophobicContact CZ-CG2 3.48Å; F101-I106 VanDerWaalsContact CZ-CG2 3.48Å; P102-I106 HydrophobicContact CG-CB 4.34Å; P102-I106 HydrophobicContact CG-CD1 3.93Å; T104-I106 PolarHBondContact O-N 2.79Å; I106-A109 HydrophobicContact CG2-CB 3.75Å; I106-P112 HydrophobicContact CD1-CG 4.48Å
107	K	87.4	Confident	93.1	Very high	60 Å²	60	13.7 Å²	13.7	26%	0.261	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	137.2	171.5	61.5	-176.9	160.8	-167.4	0	110.5	V54 Y77 D296	V54-K107 HydrophobicContact CG2-CB 4Å; V54-K107 HydrophobicContact CG2-CD 3.81Å; V54-K107 HydrophobicContact CG2-CG 4.06Å; Y77-K107 HydrophobicContact CD1-CG 4.05Å; Y77-K107 HydrophobicContact CE1-CG 3.84Å; Y77-K107 WeakPolarHBondContact CE1-O 3.43Å; Y77-K107 PolarHBondContact OH-O 2.68Å; Y77-K107 VanDerWaalsContact OH-O 3.08Å; K107-D296 WeakPolarHBondContact CB-OD2 3.3Å
108	C	88.3	Confident	93	Very high	38 Å²	38	16 Å²	16	26%	0.257	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	69.2	-176.2	-164.3	0	0	0	0	112.7	Y77 G110 A111 K114 K304	Y77-C108 PolarHBondContact OH-O 2.85Å; C108-G110 PolarHBondContact O-N 2.88Å; C108-A111 HydrophobicContact CB-CB 4.29Å; C108-A111 VanDerWaalsContact O-CB 3.31Å; C108-A111 WeakPolarHBondContact O-CB 3.38Å; C108-A111 PolarHBondContact O-N 3.47Å; C108-K114 PolarHBondContact SG-NZ 3.44Å; C108-K304 PolarHBondContact N-O 3.32Å
109	A	85.8	Confident	93	Very high	6 Å²	6	16 Å²	16	5%	0.05	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.5	-177.1	0	0	0	0	0	115.5	F101 I106 P112 L192	F101-A109 HydrophobicContact CE2-CB 3.68Å; F101-A109 VanDerWaalsContact CE2-O 3.3Å; F101-A109 WeakPolarHBondContact CE2-O 3.43Å; F101-A109 HydrophobicContact CZ-CB 3.87Å; I106-A109 HydrophobicContact CG2-CB 3.75Å; A109-P112 WeakPolarHBondContact O-CD 3.4Å; A109-L192 HydrophobicContact CB-CD1 3.78Å; A109-L192 HydrophobicContact CB-CD2 3.42Å; A109-L192 VanDerWaalsContact CB-CD2 3.42Å; A109-L192 HydrophobicContact CB-CG 4.26Å
110	G	88.2	Confident	93	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.5	168.5	0	0	0	0	0	115	C108 Q113 K114	C108-G110 PolarHBondContact O-N 2.88Å; G110-Q113 WeakPolarHBondContact O-CG 3.43Å; G110-K114 VanDerWaalsContact C-CE 3.46Å; G110-K114 VanDerWaalsContact O-CE 3.32Å; G110-K114 WeakPolarHBondContact O-CE 3.28Å; G110-K114 WeakPolarHBondContact O-CG 3.37Å; G110-K114 PolarHBondContact O-N 3.36Å; G110-K114 VanDerWaalsContact O-N 3.12Å
111	A	91.9	Very high	92.9	Very high	23 Å²	23	16.3 Å²	16.3	19%	0.19	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-36.9	-173	0	0	0	0	0	114.9	Y77 C108 Q113 K114 A115	Y77-A111 HydrophobicContact CE2-CB 4.29Å; C108-A111 HydrophobicContact CB-CB 4.29Å; C108-A111 VanDerWaalsContact O-CB 3.31Å; C108-A111 WeakPolarHBondContact O-CB 3.38Å; C108-A111 PolarHBondContact O-N 3.47Å; A111-Q113 PolarHBondContact O-N 2.79Å; A111-K114 WeakPolarHBondContact O-CB 3.33Å; A111-K114 PolarHBondContact O-N 3.31Å; A111-A115 PolarHBondContact O-N 3.28Å
112	P	93.8	Very high	93	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-43.6	179.5	-26.3	38.7	0	0	0	113	Y77 T100 F101 I106 A109 A115 C116 Y136	Y77-P112 HydrophobicContact CE2-CG 4.04Å; Y77-P112 VanDerWaalsContact OH-CD 3.31Å; Y77-P112 WeakPolarHBondContact OH-CD 3.43Å; T100-P112 WeakPolarHBondContact O-CB 3.42Å; F101-P112 HydrophobicContact CD2-CB 4.44Å; F101-P112 HydrophobicContact CD2-CG 3.93Å; I106-P112 HydrophobicContact CD1-CG 4.48Å; A109-P112 WeakPolarHBondContact O-CD 3.4Å; P112-A115 WeakPolarHBondContact O-CB 3.37Å; P112-A115 PolarHBondContact O-N 2.83Å; P112-C116 PolarHBondContact O-N 3.03Å; P112-Y136 HydrophobicContact CB-CE2 3.92Å
113	Q	91.9	Very high	93.1	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-69.4	-33.6	174	62.4	-176	-80.1	0	0	112.9	G110 A111 A115 C116 Y117 Y136 L341	G110-Q113 WeakPolarHBondContact O-CG 3.43Å; A111-Q113 PolarHBondContact O-N 2.79Å; Q113-A115 VanDerWaalsContact C-N 3.25Å; Q113-A115 PolarHBondContact O-N 3.38Å; Q113-C116 VanDerWaalsContact O-CB 3.3Å; Q113-C116 WeakPolarHBondContact O-CB 3.5Å; Q113-C116 PolarHBondContact O-N 3.35Å; Q113-C116 VanDerWaalsContact O-N 3.12Å; Q113-Y117 HydrophobicContact CB-CE2 3.96Å; Q113-Y117 HydrophobicContact CG-CE2 4.07Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.45Å; Q113-Y117 VanDerWaalsContact O-CG 3.26Å; Q113-Y117 PolarHBondContact O-N 3.05Å; Q113-Y117 PolarHBondContact OE1-OH 3.33Å; Q113-Y136 HydrophobicContact CB-CE1 4.18Å; Q113-Y136 HydrophobicContact CB-CE2 4.24Å; Q113-L341 HydrophobicContact CG-CD2 4.46Å
114	K	95.6	Very high	93.4	Very high	22 Å²	22	18.9 Å²	18.9	10%	0.096	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-41.9	172.7	-71.1	171.2	-142.4	-170.6	0	110.8	C108 G110 A111 C116 Y117 I118 C339 P340 V342	C108-K114 PolarHBondContact SG-NZ 3.44Å; G110-K114 VanDerWaalsContact C-CE 3.46Å; G110-K114 VanDerWaalsContact O-CE 3.32Å; G110-K114 WeakPolarHBondContact O-CE 3.28Å; G110-K114 WeakPolarHBondContact O-CG 3.37Å; G110-K114 PolarHBondContact O-N 3.36Å; G110-K114 VanDerWaalsContact O-N 3.12Å; A111-K114 WeakPolarHBondContact O-CB 3.33Å; A111-K114 PolarHBondContact O-N 3.31Å; K114-C116 VanDerWaalsContact C-N 3.33Å; K114-Y117 PolarHBondContact O-N 3.29Å; K114-I118 WeakPolarHBondContact O-CB 3.36Å; K114-I118 WeakPolarHBondContact O-CD1 3.38Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.18Å; K114-C339 PolarHBondContact NZ-SG 3.12Å; K114-P340 WeakPolarHBondContact CD-O 3.15Å; K114-P340 WeakPolarHBondContact CE-O 3.48Å; K114-P340 PolarHBondContact NZ-O 3.4Å; K114-V342 HydrophobicContact CB-CB 4.41Å; K114-V342 HydrophobicContact CD-CB 4.48Å; K114-V342 HydrophobicContact CD-CG2 4.41Å; K114-V342 HydrophobicContact CG-CB 4.24Å
115	A	97.1	Very high	93.8	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-46.4	175.4	0	0	0	0	0	110.8	N76 Y99 A111 P112 Q113 Y117 I118 T119	N76-A115 WeakPolarHBondContact ND2-CB 3.5Å; Y99-A115 HydrophobicContact CD1-CB 3.89Å; Y99-A115 VanDerWaalsContact CE1-C 3.43Å; Y99-A115 HydrophobicContact CE1-CB 3.75Å; A111-A115 PolarHBondContact O-N 3.28Å; P112-A115 WeakPolarHBondContact O-CB 3.37Å; P112-A115 PolarHBondContact O-N 2.83Å; Q113-A115 VanDerWaalsContact C-N 3.25Å; Q113-A115 PolarHBondContact O-N 3.38Å; A115-Y117 PolarHBondContact O-N 2.85Å; A115-I118 PolarHBondContact O-N 3.48Å; A115-T119 PolarHBondContact O-N 2.95Å; A115-T119 PolarHBondContact O-OG1 3.29Å
116	C	97.3	Very high	94.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-56.4	-51.2	175.5	-171.6	0	0	0	0	112.5	Y99 P112 Q113 K114 I118 T119 D120 M134	Y99-C116 HydrophobicContact CD1-CB 3.81Å; Y99-C116 HydrophobicContact CD2-CB 3.75Å; Y99-C116 HydrophobicContact CE1-CB 4.23Å; Y99-C116 VanDerWaalsContact CE1-N 3.33Å; Y99-C116 HydrophobicContact CE2-CB 4.17Å; Y99-C116 HydrophobicContact CG-CB 3.6Å; P112-C116 PolarHBondContact O-N 3.03Å; Q113-C116 VanDerWaalsContact O-CB 3.3Å; Q113-C116 WeakPolarHBondContact O-CB 3.5Å; Q113-C116 PolarHBondContact O-N 3.35Å; Q113-C116 VanDerWaalsContact O-N 3.12Å; K114-C116 VanDerWaalsContact C-N 3.33Å; C116-I118 PolarHBondContact O-N 3.29Å; C116-T119 PolarHBondContact O-N 3.37Å; C116-D120 PolarHBondContact O-N 3.08Å; C116-M134 WeakPolarHBondContact O-CE 3.48Å
117	Y	97.1	Very high	94.8	Very high	13 Å²	13	28.9 Å²	28.9	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-36.5	-178.7	-57.1	-38.2	0	0	0	113.8	Q113 K114 A115 S121 L202 V205 A206 K209 I211 V343	Q113-Y117 HydrophobicContact CB-CE2 3.96Å; Q113-Y117 HydrophobicContact CG-CE2 4.07Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.45Å; Q113-Y117 VanDerWaalsContact O-CG 3.26Å; Q113-Y117 PolarHBondContact O-N 3.05Å; Q113-Y117 PolarHBondContact OE1-OH 3.33Å; K114-Y117 PolarHBondContact O-N 3.29Å; A115-Y117 PolarHBondContact O-N 2.85Å; Y117-S121 PolarHBondContact O-N 3.48Å; Y117-S121 PolarHBondContact O-OG 3.26Å; Y117-L202 HydrophobicContact CE2-CD2 3.96Å; Y117-V205 HydrophobicContact CD1-CG1 3.86Å; Y117-V205 HydrophobicContact CD2-CG1 4.45Å; Y117-V205 HydrophobicContact CE1-CG1 3.82Å; Y117-V205 HydrophobicContact CE2-CG1 4.42Å; Y117-V205 HydrophobicContact CG-CG1 4.19Å; Y117-A206 HydrophobicContact CE1-CB 4.48Å; Y117-K209 HydrophobicContact CD1-CD 4.05Å; Y117-I211 HydrophobicContact CD1-CD1 3.44Å; Y117-I211 VanDerWaalsContact CD1-CD1 3.44Å; Y117-I211 HydrophobicContact CE1-CD1 3.51Å; Y117-V343 HydrophobicContact CD2-CB 4.37Å; Y117-V343 HydrophobicContact CD2-CG1 3.95Å; Y117-V343 HydrophobicContact CE2-CG1 4.2Å
118	I	96.9	Very high	95.3	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.246	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-44.8	175	-71.5	166	0	0	0	109.6	K114 A115 C116 S121 I122 V342	K114-I118 WeakPolarHBondContact O-CB 3.36Å; K114-I118 WeakPolarHBondContact O-CD1 3.38Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.18Å; A115-I118 PolarHBondContact O-N 3.48Å; C116-I118 PolarHBondContact O-N 3.29Å; I118-S121 WeakPolarHBondContact O-CB 3.34Å; I118-S121 PolarHBondContact O-N 3.02Å; I118-S121 VanDerWaalsContact O-N 3.16Å; I118-I122 HydrophobicContact CG2-CD1 3.8Å; I118-I122 HydrophobicContact CG2-CG1 4.4Å; I118-I122 WeakPolarHBondContact O-CG1 3.23Å; I118-I122 PolarHBondContact O-N 2.98Å; I118-V342 HydrophobicContact CD1-CB 4.1Å; I118-V342 HydrophobicContact CD1-CG1 3.73Å; I118-V342 HydrophobicContact CG1-CB 4.36Å; I118-V342 HydrophobicContact CG1-CG1 3.67Å
119	T	98.2	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-46.6	178.6	-63.4	0	0	0	0	111.9	H85 A89 Y99 A115 C116 S121 I122 L123 M134 L251	H85-T119 PolarHBondContact NE2-OG1 3.3Å; A89-T119 HydrophobicContact CB-CG2 4.03Å; Y99-T119 WeakPolarHBondContact OH-CB 3.45Å; Y99-T119 WeakPolarHBondContact OH-CG2 3.35Å; Y99-T119 PolarHBondContact OH-OG1 3.38Å; A115-T119 PolarHBondContact O-N 2.95Å; A115-T119 PolarHBondContact O-OG1 3.29Å; C116-T119 PolarHBondContact O-N 3.37Å; T119-S121 PolarHBondContact O-N 2.97Å; T119-I122 WeakPolarHBondContact O-CB 3.16Å; T119-I122 PolarHBondContact O-N 3.03Å; T119-L123 HydrophobicContact CG2-CD1 3.99Å; T119-L123 HydrophobicContact CG2-CG 4.01Å; T119-L123 VanDerWaalsContact O-CG 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.37Å; T119-L123 PolarHBondContact O-N 3.4Å; T119-M134 HydrophobicContact CG2-CE 4.27Å; T119-L251 HydrophobicContact CG2-CD2 4.11Å
120	D	98.3	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-51.3	-43.5	172.8	165.6	91.5	0	0	0	111.5	C116 L123 R124 R129 M134 K209	C116-D120 PolarHBondContact O-N 3.08Å; D120-L123 PolarHBondContact O-N 2.7Å; D120-R124 WeakPolarHBondContact O-CG 3.31Å; D120-R124 PolarHBondContact O-N 3.29Å; D120-R124 IonicContact OD1-CZ 2.72Å; D120-R124 IonicContact OD1-NE 2.91Å; D120-R124 PolarHBondContact OD1-NE 3.37Å; D120-R124 IonicContact OD1-NH2 4Å; D120-R124 PolarHBondContact OD1-NH2 3.06Å; D120-R124 WeakPolarHBondContact OD2-CD 3.47Å; D120-R124 IonicContact OD2-NE 3.42Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 VanDerWaalsContact OD2-NE 3.09Å; D120-R129 VanDerWaalsContact OD1-CD 3.28Å; D120-R129 WeakPolarHBondContact OD1-CD 3.35Å; D120-R129 IonicContact OD1-CZ 3.93Å; D120-R129 IonicContact OD1-NE 2.97Å; D120-R129 PolarHBondContact OD1-NE 3.08Å; D120-M134 HydrophobicContact CB-CE 4.14Å; D120-K209 HydrophobicContact CB-CD 4.19Å; D120-K209 VanDerWaalsContact OD2-CD 3.31Å; D120-K209 WeakPolarHBondContact OD2-CD 3.41Å; D120-K209 WeakPolarHBondContact OD2-CG 3.48Å; D120-K209 IonicContact OD2-NZ 2.88Å; D120-K209 PolarHBondContact OD2-NZ 3.01Å
121	S	97.3	Very high	96.7	Very high	9 Å²	9	39 Å²	39	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-39	178.9	-55.3	0	0	0	0	112.7	Y117 I118 T119 Q125 K209 S344	Y117-S121 PolarHBondContact O-N 3.48Å; Y117-S121 PolarHBondContact O-OG 3.26Å; I118-S121 WeakPolarHBondContact O-CB 3.34Å; I118-S121 PolarHBondContact O-N 3.02Å; I118-S121 VanDerWaalsContact O-N 3.16Å; T119-S121 PolarHBondContact O-N 2.97Å; S121-Q125 WeakPolarHBondContact O-CB 3.44Å; S121-Q125 VanDerWaalsContact O-CG 3.25Å; S121-Q125 WeakPolarHBondContact O-CG 3.46Å; S121-Q125 PolarHBondContact O-N 3.27Å; S121-K209 PolarHBondContact OG-NZ 3.27Å; S121-S344 VanDerWaalsContact OG-CA 3.3Å; S121-S344 WeakPolarHBondContact OG-CA 3.28Å
122	I	97.7	Very high	97	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-45.5	174.3	-69.8	166.8	0	0	0	110.2	Y86 A89 M90 I118 T119 R124 Q125 R126 T345	Y86-I122 HydrophobicContact CD2-CD1 3.98Å; Y86-I122 HydrophobicContact CE2-CD1 4.19Å; A89-I122 HydrophobicContact CB-CD1 4.18Å; A89-I122 HydrophobicContact CB-CG2 4.4Å; M90-I122 HydrophobicContact SD-CG2 3.83Å; I118-I122 HydrophobicContact CG2-CD1 3.8Å; I118-I122 HydrophobicContact CG2-CG1 4.4Å; I118-I122 WeakPolarHBondContact O-CG1 3.23Å; I118-I122 PolarHBondContact O-N 2.98Å; T119-I122 WeakPolarHBondContact O-CB 3.16Å; T119-I122 PolarHBondContact O-N 3.03Å; I122-R124 VanDerWaalsContact C-N 3.35Å; I122-R124 PolarHBondContact O-N 3.41Å; I122-Q125 PolarHBondContact O-N 3.31Å; I122-R126 HydrophobicContact CG2-CG 4.38Å; I122-R126 WeakPolarHBondContact O-CB 3.43Å; I122-R126 VanDerWaalsContact O-CG 3.26Å; I122-R126 WeakPolarHBondContact O-CG 3.31Å; I122-R126 PolarHBondContact O-N 2.89Å; I122-T345 HydrophobicContact CG1-CG2 4.32Å
123	L	98.3	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-38.4	-179.4	-61	-177.4	0	0	0	111.9	F92 T119 D120 R126 G127 V128 R129 A132 M134	F92-L123 HydrophobicContact CB-CD2 4.09Å; F92-L123 HydrophobicContact CD1-CD1 4Å; F92-L123 HydrophobicContact CD1-CD2 3.79Å; F92-L123 HydrophobicContact CE1-CD1 4.15Å; F92-L123 HydrophobicContact CG-CD2 4.25Å; T119-L123 HydrophobicContact CG2-CD1 3.99Å; T119-L123 HydrophobicContact CG2-CG 4.01Å; T119-L123 VanDerWaalsContact O-CG 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.37Å; T119-L123 PolarHBondContact O-N 3.4Å; D120-L123 PolarHBondContact O-N 2.7Å; L123-R126 CarbonylContact O-C 3.54Å; L123-R126 PolarHBondContact O-N 3.46Å; L123-G127 PolarHBondContact O-N 3.11Å; L123-G127 VanDerWaalsContact O-N 3.09Å; L123-V128 HydrophobicContact CB-CG2 4.23Å; L123-V128 HydrophobicContact CD2-CG2 3.83Å; L123-V128 PolarHBondContact O-N 2.79Å; L123-R129 HydrophobicContact CB-CB 4.17Å; L123-R129 PolarHBondContact O-N 2.68Å; L123-A132 HydrophobicContact CD1-CB 3.57Å; L123-M134 HydrophobicContact CD1-SD 3.9Å
124	R	97.7	Very high	97.5	Very high	104 Å²	104	41.8 Å²	41.8	39%	0.392	21%	0.214	S	C	.	.	H	α-helix	trans	-63	-45.8	172.8	-72.9	176.4	-173.2	-87.9	-1.6	111.6	D120 I122 R126 G127 R129	D120-R124 WeakPolarHBondContact O-CG 3.31Å; D120-R124 PolarHBondContact O-N 3.29Å; D120-R124 IonicContact OD1-CZ 2.72Å; D120-R124 IonicContact OD1-NE 2.91Å; D120-R124 PolarHBondContact OD1-NE 3.37Å; D120-R124 IonicContact OD1-NH2 4Å; D120-R124 PolarHBondContact OD1-NH2 3.06Å; D120-R124 WeakPolarHBondContact OD2-CD 3.47Å; D120-R124 IonicContact OD2-NE 3.42Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 VanDerWaalsContact OD2-NE 3.09Å; I122-R124 VanDerWaalsContact C-N 3.35Å; I122-R124 PolarHBondContact O-N 3.41Å; R124-R126 PolarHBondContact O-N 3.09Å; R124-G127 PolarHBondContact O-N 2.91Å; R124-G127 VanDerWaalsContact O-N 3.08Å; R124-R129 HydrophobicContact CB-CB 4.45Å; R124-R129 HydrophobicContact CG-CB 3.64Å; R124-R129 HydrophobicContact CG-CG 3.68Å
125	Q	97.1	Very high	97.6	Very high	137 Å²	137	40.8 Å²	40.8	64%	0.64	21%	0.21	S	C	*	.	H	α-helix	trans	-62	-31.9	176.2	-74.2	174.9	-8.2	0	0	112.9	S121 I122 G127 T345	S121-Q125 WeakPolarHBondContact O-CB 3.44Å; S121-Q125 VanDerWaalsContact O-CG 3.25Å; S121-Q125 WeakPolarHBondContact O-CG 3.46Å; S121-Q125 PolarHBondContact O-N 3.27Å; I122-Q125 PolarHBondContact O-N 3.31Å; Q125-G127 VanDerWaalsContact C-N 3.35Å; Q125-T345 PolarHBondContact NE2-OG1 3.34Å
126	R	97.4	Very high	97.7	Very high	65 Å²	65	41 Å²	41	25%	0.245	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7	176.2	-70.7	172.4	63.7	-137.3	-15.5	113.9	A89 M90 F92 I122 L123 R124 V128	A89-R126 PolarHBondContact O-NH1 3.08Å; M90-R126 PolarHBondContact O-NE 3.49Å; M90-R126 PolarHBondContact O-NH1 2.83Å; M90-R126 PolarHBondContact O-NH2 2.96Å; M90-R126 HydrophobicContact SD-CG 4.43Å; F92-R126 PolarHBondContact O-NH1 2.88Å; F92-R126 PolarHBondContact O-NH2 3.1Å; I122-R126 HydrophobicContact CG2-CG 4.38Å; I122-R126 WeakPolarHBondContact O-CB 3.43Å; I122-R126 VanDerWaalsContact O-CG 3.26Å; I122-R126 WeakPolarHBondContact O-CG 3.31Å; I122-R126 PolarHBondContact O-N 2.89Å; L123-R126 CarbonylContact O-C 3.54Å; L123-R126 PolarHBondContact O-N 3.46Å; R124-R126 PolarHBondContact O-N 3.09Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 HydrophobicContact CB-CG2 3.93Å; R126-V128 PolarHBondContact O-N 3.3Å
127	G	97.6	Very high	97.6	Very high	63 Å²	63	41 Å²	41	65%	0.649	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	22.5	-176	0	0	0	0	0	114.9	L123 R124 Q125	L123-G127 PolarHBondContact O-N 3.11Å; L123-G127 VanDerWaalsContact O-N 3.09Å; R124-G127 PolarHBondContact O-N 2.91Å; R124-G127 VanDerWaalsContact O-N 3.08Å; Q125-G127 VanDerWaalsContact C-N 3.35Å
128	V	97.3	Very high	97.4	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.139	21%	0.207	C	C	.	.			trans	-119.5	11	-178	-59.8	0	0	0	0	113.4	L123 R126 D130 Q131	L123-V128 HydrophobicContact CB-CG2 4.23Å; L123-V128 HydrophobicContact CD2-CG2 3.83Å; L123-V128 PolarHBondContact O-N 2.79Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 HydrophobicContact CB-CG2 3.93Å; R126-V128 PolarHBondContact O-N 3.3Å; V128-D130 PolarHBondContact O-N 3.11Å; V128-Q131 PolarHBondContact O-N 3.34Å
129	R	97.8	Very high	97.2	Very high	19 Å²	19	38.1 Å²	38.1	7%	0.072	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-60.4	-34.6	-179	175	58.6	-173.7	77.6	-1.6	112.4	D120 L123 R124 Q131 A132 K209 E210	D120-R129 VanDerWaalsContact OD1-CD 3.28Å; D120-R129 WeakPolarHBondContact OD1-CD 3.35Å; D120-R129 IonicContact OD1-CZ 3.93Å; D120-R129 IonicContact OD1-NE 2.97Å; D120-R129 PolarHBondContact OD1-NE 3.08Å; L123-R129 HydrophobicContact CB-CB 4.17Å; L123-R129 PolarHBondContact O-N 2.68Å; R124-R129 HydrophobicContact CB-CB 4.45Å; R124-R129 HydrophobicContact CG-CB 3.64Å; R124-R129 HydrophobicContact CG-CG 3.68Å; R129-Q131 PolarHBondContact O-N 3.42Å; R129-A132 PolarHBondContact NH1-O 2.95Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.29Å; R129-K209 PolarHBondContact NH2-O 2.77Å; R129-E210 PolarHBondContact NH2-O 3.38Å; R129-E210 VanDerWaalsContact NH2-O 3.15Å
130	D	97.5	Very high	96.6	Very high	156 Å²	156	39.1 Å²	39.1	83%	0.834	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-68.8	-18.2	-177.6	-55.5	-20.1	0	0	0	112.4	V128 A132	V128-D130 PolarHBondContact O-N 3.11Å; D130-A132 VanDerWaalsContact C-N 3.3Å
131	Q	97.7	Very high	95.5	Very high	117 Å²	117	41.5 Å²	41.5	55%	0.547	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-85	-5.7	173.8	-56.4	-174	51.6	0	0	112.4	K93 G94 G95 V128 R129	K93-Q131 WeakPolarHBondContact O-CB 3.38Å; K93-Q131 VanDerWaalsContact O-CD 3.3Å; K93-Q131 PolarHBondContact O-OE1 3.41Å; G94-Q131 CarbonylContact C-O 3.58Å; G94-Q131 WeakPolarHBondContact CA-O 3.29Å; G95-Q131 PolarHBondContact N-O 2.96Å; V128-Q131 PolarHBondContact O-N 3.34Å; R129-Q131 PolarHBondContact O-N 3.42Å
132	A	98.2	Very high	93.8	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129	-173.4	0	0	0	0	0	111.7	F92 L123 R129 D130 M134	F92-A132 HydrophobicContact CD1-CB 4.49Å; F92-A132 HydrophobicContact CE1-CB 3.51Å; F92-A132 HydrophobicContact CZ-CB 3.95Å; L123-A132 HydrophobicContact CD1-CB 3.57Å; R129-A132 PolarHBondContact NH1-O 2.95Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.29Å; D130-A132 VanDerWaalsContact C-N 3.3Å; A132-M134 HydrophobicContact CB-SD 4.2Å
133	H	98.4	Very high	91.7	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.356	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.8	161.6	-178.7	-148.2	0	0	0	108.7	G95 N96 A97 I135 D212	G95-H133 PolarHBondContact O-N 3.43Å; N96-H133 WeakPolarHBondContact CA-O 3.34Å; N96-H133 WeakPolarHBondContact OD1-CB 3.45Å; N96-H133 PolarHBondContact OD1-ND1 2.85Å; A97-H133 PolarHBondContact N-O 2.87Å; H133-I135 PolarHBondContact O-N 3.46Å; H133-D212 IonicContact CE1-OD2 3.58Å; H133-D212 IonicContact NE2-OD2 2.73Å
134	M	97.9	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.8	-176.4	-62.2	-63.5	-58.3	0	0	109.6	A97 Y99 C116 T119 D120 L123 A132 I211 D212	A97-M134 HydrophobicContact CB-CE 4.27Å; A97-M134 HydrophobicContact CB-SD 3.66Å; Y99-M134 HydrophobicContact CD2-CE 4.46Å; Y99-M134 HydrophobicContact CE2-CE 3.74Å; C116-M134 WeakPolarHBondContact O-CE 3.48Å; T119-M134 HydrophobicContact CG2-CE 4.27Å; D120-M134 HydrophobicContact CB-CE 4.14Å; L123-M134 HydrophobicContact CD1-SD 3.9Å; A132-M134 HydrophobicContact CB-SD 4.2Å; M134-I211 HydrophobicContact CB-CG1 4.01Å; M134-D212 PolarHBondContact O-N 2.76Å
135	I	98	Very high	85	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.9	-178.6	-52.8	171.3	0	0	0	109.6	N96 A97 L98 Y99 H133 D212 R214 I247	N96-I135 HydrophobicContact CB-CD1 4.09Å; A97-I135 PolarHBondContact O-N 3.01Å; L98-I135 CarbonylContact C-O 3.56Å; L98-I135 WeakPolarHBondContact CA-O 3.48Å; L98-I135 HydrophobicContact CD1-CB 3.83Å; L98-I135 HydrophobicContact CD1-CG2 3.62Å; Y99-I135 PolarHBondContact N-O 3.28Å; H133-I135 PolarHBondContact O-N 3.46Å; I135-D212 CarbonylContact C-O 3.39Å; I135-D212 WeakPolarHBondContact CA-O 3.42Å; I135-D212 HydrophobicContact CG1-CB 4.35Å; I135-R214 HydrophobicContact CG2-CG 4.27Å; I135-I247 HydrophobicContact CD1-CG2 3.91Å
136	Y	97.3	Very high	81.5	Confident	8 Å²	8	50.9 Å²	50.9	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	97	168.6	-177.4	-124	0	0	0	110.1	Y99 F101 P112 Q113 T138 D212 V213 R214	Y99-Y136 CarbonylContact O-C 3.55Å; Y99-Y136 WeakPolarHBondContact O-CA 3.32Å; F101-Y136 HydrophobicContact CB-CE2 4.32Å; F101-Y136 WeakPolarHBondContact CD2-OH 3.34Å; P112-Y136 HydrophobicContact CB-CE2 3.92Å; Q113-Y136 HydrophobicContact CB-CE1 4.18Å; Q113-Y136 HydrophobicContact CB-CE2 4.24Å; Y136-T138 HydrophobicContact CE1-CG2 4.23Å; Y136-D212 PolarHBondContact N-O 3.13Å; Y136-V213 HydrophobicContact CD1-CG1 4.14Å; Y136-V213 WeakPolarHBondContact O-CA 3.37Å; Y136-R214 PolarHBondContact O-N 2.97Å
137	A	96.2	Very high	78	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.7	178.6	0	0	0	0	0	110.4	L98 Y99 T100 F101 R214 R217 F231	L98-A137 HydrophobicContact CD1-CB 3.99Å; Y99-A137 PolarHBondContact O-N 3.25Å; T100-A137 CarbonylContact C-O 3.58Å; T100-A137 VanDerWaalsContact CA-O 3.25Å; T100-A137 WeakPolarHBondContact CA-O 3.49Å; F101-A137 PolarHBondContact N-O 2.97Å; A137-R214 CarbonylContact C-O 3.45Å; A137-R214 WeakPolarHBondContact CA-O 3.27Å; A137-R217 HydrophobicContact CB-CB 4.15Å; A137-F231 HydrophobicContact CB-CD1 4.14Å; A137-F231 HydrophobicContact CB-CE1 3.46Å; A137-F231 VanDerWaalsContact CB-CE1 3.46Å; A137-F231 HydrophobicContact CB-CZ 3.73Å
138	T	93.7	Very high	74.5	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.3	-174.5	179.3	0	0	0	0	111.9	F101 Y136 L140 V143 R214 T215 R216 R217	F101-T138 WeakPolarHBondContact CB-OG1 3.48Å; Y136-T138 HydrophobicContact CE1-CG2 4.23Å; T138-L140 HydrophobicContact CG2-CB 4.35Å; T138-L140 PolarHBondContact O-N 3.23Å; T138-L140 WeakPolarHBondContact OG1-CB 3.44Å; T138-L140 WeakPolarHBondContact OG1-CG 3.15Å; T138-L140 PolarHBondContact OG1-N 3.07Å; T138-V143 HydrophobicContact CG2-CG2 3.97Å; T138-R214 PolarHBondContact N-O 3.07Å; T138-T215 HydrophobicContact CG2-CG2 4.17Å; T138-T215 CarbonylContact O-C 3.56Å; T138-T215 VanDerWaalsContact O-C 3.24Å; T138-T215 WeakPolarHBondContact O-CA 3.46Å; T138-R216 WeakPolarHBondContact O-CA 3.25Å; T138-R216 PolarHBondContact O-N 2.78Å; T138-R217 CarbonylContact C-O 3.3Å; T138-R217 PolarHBondContact O-N 2.74Å
139	S	92.8	Very high	71	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.007	31%	0.309	C	S	.	.	S	Bend	trans	-63.1	-19	171.1	64.6	0	0	0	0	112.8	F101 P102 N103 R217 L234	F101-S139 PolarHBondContact O-N 3.46Å; F101-S139 VanDerWaalsContact O-N 3.14Å; P102-S139 PolarHBondContact O-OG 3.08Å; N103-S139 WeakPolarHBondContact CA-OG 3.23Å; N103-S139 PolarHBondContact N-OG 2.95Å; S139-R217 WeakPolarHBondContact CA-O 3.45Å; S139-R217 PolarHBondContact N-O 3.5Å; S139-L234 WeakPolarHBondContact O-CD1 3.33Å
140	L	85.3	Confident	67.5	Low	20 Å²	20	72.4 Å²	72.4	11%	0.105	34%	0.344	C	S	.	.			trans	-70.1	143.4	-174.3	-57.9	-179.1	0	0	0	111.8	F101 T138 F189 T215 R216	F101-L140 HydrophobicContact CD1-CD1 4.21Å; F101-L140 HydrophobicContact CD1-CD2 4.29Å; F101-L140 HydrophobicContact CD1-CG 3.88Å; F101-L140 HydrophobicContact CE1-CD1 3.94Å; F101-L140 HydrophobicContact CE1-CD2 3.77Å; F101-L140 HydrophobicContact CE1-CG 3.77Å; F101-L140 HydrophobicContact CE2-CD1 4.5Å; F101-L140 HydrophobicContact CZ-CD1 4.1Å; F101-L140 HydrophobicContact CZ-CD2 4.47Å; F101-L140 HydrophobicContact CZ-CG 4.43Å; T138-L140 HydrophobicContact CG2-CB 4.35Å; T138-L140 PolarHBondContact O-N 3.23Å; T138-L140 WeakPolarHBondContact OG1-CB 3.44Å; T138-L140 WeakPolarHBondContact OG1-CG 3.15Å; T138-L140 PolarHBondContact OG1-N 3.07Å; L140-F189 HydrophobicContact CD1-CD1 4.06Å; L140-F189 HydrophobicContact CD1-CE1 4.31Å; L140-F189 HydrophobicContact CD2-CB 4.49Å; L140-F189 HydrophobicContact CD2-CD1 3.36Å; L140-F189 HydrophobicContact CD2-CD2 4.22Å; L140-F189 HydrophobicContact CD2-CE1 3.45Å; L140-F189 VanDerWaalsContact CD2-CE1 3.45Å; L140-F189 HydrophobicContact CD2-CE2 4.28Å; L140-F189 HydrophobicContact CD2-CG 3.77Å; L140-F189 HydrophobicContact CD2-CZ 3.91Å; L140-F189 HydrophobicContact CG-CD1 4.37Å; L140-F189 HydrophobicContact CG-CE1 4.49Å; L140-T215 WeakPolarHBondContact O-CB 3.41Å; L140-R216 PolarHBondContact O-N 2.79Å; L140-R216 VanDerWaalsContact O-N 3.16Å
141	K	73.6	Confident	64.1	Low	51 Å²	51	71.1 Å²	71.1	22%	0.222	34%	0.336	C	S	.	.	S	Bend	trans	-67.7	-37	179.2	-59.5	170.7	-169.2	-179.5	0	112.9	N186 E236 E237 A238	K141-N186 PolarHBondContact NZ-OD1 3.39Å; K141-E236 WeakPolarHBondContact CD-O 3.5Å; K141-E236 VanDerWaalsContact CE-C 3.44Å; K141-E236 WeakPolarHBondContact CE-O 3.39Å; K141-E236 PolarHBondContact NZ-O 2.92Å; K141-E237 VanDerWaalsContact NZ-C 3.28Å; K141-E237 PolarHBondContact NZ-O 2.93Å; K141-A238 VanDerWaalsContact CE-N 3.29Å
142	R	62.8	Low	60.8	Low	157 Å²	157	72.8 Å²	72.8	59%	0.592	35%	0.348	S	S	*	.			trans	-130.5	108	-173.9	-75.5	-173.9	177.2	179.8	1.2	113	R144	R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 HydrophobicContact CB-CB 4.39Å
143	V	53.1	Low	57.5	Low	18 Å²	18	78.6 Å²	78.6	11%	0.109	38%	0.377	C	S	.	.			trans	-69.4	9.2	143.4	-117.7	0	0	0	0	118.2	T138 F145 L199 V213 T215	T138-V143 HydrophobicContact CG2-CG2 3.97Å; V143-F145 PolarHBondContact O-N 2.64Å; V143-L199 HydrophobicContact CG1-CD1 4.06Å; V143-V213 HydrophobicContact CB-CG1 4.16Å; V143-V213 HydrophobicContact CG2-CG1 4.17Å; V143-T215 HydrophobicContact CG2-CG2 4.49Å
144	R	30.6	Very low	54.3	Low	113 Å²	113	84 Å²	84	43%	0.426	40%	0.402	S	S	.	.				-41.6	106	-126.3	-166.1	-175.5	-166.3	-176.3	2.8	114.4	R142 L199 E203	R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 HydrophobicContact CB-CB 4.39Å; R144-L199 HydrophobicContact CB-CD2 4.05Å; R144-E203 WeakPolarHBondContact O-CG 3.31Å
145	F	25.3	Very low	50.8	Low	71 Å²	71	87.8 Å²	87.8	31%	0.311	44%	0.442	S	S	.	.			trans	-89.9	137.8	153.9	-91.4	-96.1	0	0	0	109.1	V143 E203 A206 R207	V143-F145 PolarHBondContact O-N 2.64Å; F145-E203 HydrophobicContact CD1-CB 4.07Å; F145-E203 HydrophobicContact CD1-CG 4.27Å; F145-E203 HydrophobicContact CD2-CB 4.16Å; F145-E203 HydrophobicContact CD2-CG 3.85Å; F145-E203 HydrophobicContact CE1-CB 3.77Å; F145-E203 HydrophobicContact CE1-CG 4.39Å; F145-E203 WeakPolarHBondContact CE1-O 3.38Å; F145-E203 HydrophobicContact CE2-CB 3.97Å; F145-E203 HydrophobicContact CE2-CG 4.1Å; F145-E203 HydrophobicContact CG-CB 4.27Å; F145-E203 HydrophobicContact CG-CG 4.01Å; F145-E203 VanDerWaalsContact CZ-C 3.42Å; F145-E203 VanDerWaalsContact CZ-CA 3.41Å; F145-E203 HydrophobicContact CZ-CB 3.83Å; F145-E203 HydrophobicContact CZ-CG 4.42Å; F145-E203 WeakPolarHBondContact CZ-O 3.19Å; F145-A206 HydrophobicContact CE2-CB 3.67Å; F145-A206 HydrophobicContact CZ-CB 3.63Å; F145-R207 HydrophobicContact CD1-CG 4.15Å; F145-R207 HydrophobicContact CE1-CB 3.67Å; F145-R207 VanDerWaalsContact CE1-CD 3.41Å; F145-R207 HydrophobicContact CE1-CG 3.31Å; F145-R207 HydrophobicContact CZ-CB 4.01Å; F145-R207 HydrophobicContact CZ-CG 4.04Å
146	L	22.8	Very low	47.4	Very low	100 Å²	100	92.2 Å²	92.2	52%	0.524	48%	0.478	S	S	.	.			trans	-107.2	122.6	162.9	-95	159.7	0	0	0	108.9
147	L	23.8	Very low	44.1	Very low	131 Å²	131	100.3 Å²	100.3	69%	0.686	52%	0.52	S	S	*	.			trans	69.5	131.9	162	-62.5	149.1	0	0	0	115.9
148	C	24.1	Very low	40.7	Very low	105 Å²	105	104 Å²	104	71%	0.709	56%	0.558	S	S	*	*			cis	-158.3	126.2	32.5	-158	0	0	0	0	110.2
149	W	23.7	Very low	37.5	Very low	235 Å²	235	111.5 Å²	111.5	89%	0.89	60%	0.598	S	S	*	*	S	Bend	trans	-154.4	-11.1	154.7	-158.6	37.8	0	0	0	114.9
150	D	24.5	Very low	34.4	Very low	151 Å²	151	120.8 Å²	120.8	81%	0.807	64%	0.641	S	S	*	*	S	Bend	trans	-106.4	31.2	-180	-69.4	-34.2	0	0	0	115.3
151	I	26.6	Very low	31.6	Very low	130 Å²	130	129.3 Å²	129.3	67%	0.667	68%	0.678	S	S	*	*			trans	-133.1	70	165.1	-48.8	177.8	0	0	0	109.4
152	I	28.9	Very low	29.3	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	71%	0.708	S	S	*	*	S	Bend	trans	-128.7	-13.2	155.6	-69.3	-173.4	0	0	0	112.2
153	N	28.8	Very low	27.5	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	72%	0.723	S	S	*	*	S	Bend	trans	-131.6	133.2	173.1	-72.8	-49.8	0	0	0	111
154	H	30.8	Very low	26.2	Very low	190 Å²	190	144.8 Å²	144.8	88%	0.88	76%	0.763	S	S	*	*			trans	89.9	86.4	-178.6	-50.5	-63	0	0	0	116.2
155	G	24.3	Very low	26	Very low	80 Å²	80	148.7 Å²	148.7	83%	0.825	78%	0.783	S	S	*	*			trans	-77	146.3	156.4	0	0	0	0	0	111.8
156	A	27	Very low	26.1	Very low	93 Å²	93	153 Å²	153	77%	0.769	81%	0.808	S	S	*	*			trans	171.2	107.1	132.7	0	0	0	0	0	111.1
157	I	27.6	Very low	26.2	Very low	178 Å²	178	159.6 Å²	159.6	91%	0.913	83%	0.826	S	S	*	*				33.9	129.1	128.4	-52.2	168.6	0	0	0	119.1
158	G	25.4	Very low	26.4	Very low	77 Å²	77	161.6 Å²	161.6	79%	0.794	83%	0.829	S	S	*	*			trans	165	92.7	152	0	0	0	0	0	115.4
159	N	25.5	Very low	26.5	Very low	157 Å²	157	163.7 Å²	163.7	84%	0.84	83%	0.828	S	S	*	*			trans	-90	134.9	177.9	-138	-9.9	0	0	0	110
160	Q	27.7	Very low	26.4	Very low	197 Å²	197	161 Å²	161	92%	0.921	83%	0.825	S	S	*	*			trans	-168.1	134.7	140.2	-113.7	172.9	-0.8	0	0	114.1
161	K	27.1	Very low	26.1	Very low	199 Å²	199	162 Å²	162	87%	0.865	83%	0.83	S	S	*	*			trans	-87.3	149.5	174.1	-69	172.4	176.2	170.8	0	110.4
162	S	25.2	Very low	26	Very low	123 Å²	123	161.1 Å²	161.1	86%	0.86	83%	0.83	S	S	*	*				-161.9	144.5	127.6	63.9	0	0	0	0	112.4
163	K	25.1	Very low	25.6	Very low	208 Å²	208	160.5 Å²	160.5	90%	0.904	83%	0.834	S	S	*	*			trans	-99.5	146.6	175.6	-72.5	178.8	174	178.8	0	109.4
164	K	26	Very low	25.4	Very low	219 Å²	219	161.3 Å²	161.3	95%	0.952	84%	0.836	S	S	*	*			trans	-147.5	157.3	152.4	-115.7	177.5	-175.7	178.4	0	112.9
165	K	24.9	Very low	24.9	Very low	196 Å²	196	159.7 Å²	159.7	85%	0.852	83%	0.834	S	S	*	*			trans	-107.1	144	-147.4	-166.1	179.9	-172.3	178.4	0	110.6
166	I	28.4	Very low	25	Very low	162 Å²	162	161 Å²	161	83%	0.831	83%	0.83	S	S	*	*			trans	-96.6	142	-178.7	-61.2	170.5	0	0	0	111.1
167	R	24.9	Very low	24.8	Very low	238 Å²	238	165.4 Å²	165.4	90%	0.898	83%	0.832	S	S	*	*			trans	-140.7	117.4	157.1	-82.9	-170.1	174.3	-177.5	-0.9	112.2
168	K	27	Very low	24.8	Very low	173 Å²	173	162.8 Å²	162.8	75%	0.752	82%	0.82	S	S	*	*			trans	36.7	119.2	139.3	-94.9	178.3	164.6	-173.5	0	125.3
169	H	26.2	Very low	24.8	Very low	149 Å²	149	164.9 Å²	164.9	69%	0.69	81%	0.813	S	S	*	*			trans	105.7	112.9	134	-62.3	124.7	0	0	0	122.5
170	Q	22.1	Very low	25	Very low	177 Å²	177	162.9 Å²	162.9	83%	0.827	80%	0.802	S	S	*	*			trans	68.2	112.2	143.6	-81.4	-179.8	-25.7	0	0	122.5
171	L	19.7	Very low	25.3	Very low	173 Å²	173	155.4 Å²	155.4	91%	0.906	77%	0.768	S	S	*	*				-156.2	151.6	107.1	-129.4	121.3	0	0	0	111.6
172	V	23.5	Very low	25.3	Very low	112 Å²	112	150.3 Å²	150.3	68%	0.679	75%	0.75	S	S	*	*			trans	-89.2	138.2	-178.4	169.1	0	0	0	0	110
173	T	20	Very low	25.4	Very low	139 Å²	139	151.3 Å²	151.3	85%	0.853	74%	0.739	S	S	*	*			trans	-136.9	131.3	148.2	40.5	0	0	0	0	109.7
174	I	24.3	Very low	25.8	Very low	147 Å²	147	145.3 Å²	145.3	75%	0.754	71%	0.714	S	S	*	*			trans	-82.3	123.7	166.5	-68.6	168.4	0	0	0	105.7
175	D	20.7	Very low	26.1	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	68%	0.682	S	S	*	*			trans	-130.5	117.2	158.7	-130.5	-20.9	0	0	0	108.3	F177	D175-F177 PolarHBondContact O-N 3.46Å; D175-F177 VanDerWaalsContact O-N 3.16Å
176	C	26.6	Very low	26.3	Very low	108 Å²	108	132.8 Å²	132.8	73%	0.73	66%	0.661	S	S	*	*			trans	-73.5	96.7	178.9	-78.3	0	0	0	0	109.1
177	F	22.4	Very low	26.4	Very low	185 Å²	185	129.6 Å²	129.6	81%	0.811	65%	0.646	S	S	*	*			trans	-138.5	108	155.9	-106.8	-87.3	0	0	0	110	D175 N179	D175-F177 PolarHBondContact O-N 3.46Å; D175-F177 VanDerWaalsContact O-N 3.16Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.81Å
178	D	28.8	Very low	26.7	Very low	123 Å²	123	119.4 Å²	119.4	66%	0.658	61%	0.608	S	S	*	*			trans	-71.4	82.8	-177.5	-165.8	-0.7	0	0	0	111.2	N180	D178-N180 VanDerWaalsContact C-N 3.34Å; D178-N180 PolarHBondContact OD1-N 3.26Å
179	N	25.8	Very low	27.2	Very low	121 Å²	121	113.8 Å²	113.8	65%	0.647	58%	0.584	S	S	*	*			trans	-93.6	16.4	172.5	-94.4	-37.5	0	0	0	113	F177 I181	F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.81Å; N179-I181 VanDerWaalsContact C-N 3.32Å; N179-I181 PolarHBondContact O-N 3.14Å
180	N	28.7	Very low	27.5	Very low	116 Å²	116	112.8 Å²	112.8	62%	0.62	58%	0.578	S	S	*	*	H	α-helix	trans	-84.7	2.8	-167.6	-110.4	-11.7	0	0	0	116.2	D178	D178-N180 VanDerWaalsContact C-N 3.34Å; D178-N180 PolarHBondContact OD1-N 3.26Å
181	I	34.7	Very low	28.3	Very low	40 Å²	40	107 Å²	107	21%	0.205	55%	0.551	C	S	.	*	H	α-helix	trans	-98.2	-28.2	-176	-54.5	-179.7	0	0	0	112.2	N179 K183 Q184 Y185 K272 T273	N179-I181 VanDerWaalsContact C-N 3.32Å; N179-I181 PolarHBondContact O-N 3.14Å; I181-K183 VanDerWaalsContact C-N 3.35Å; I181-K183 PolarHBondContact O-N 3.31Å; I181-Q184 PolarHBondContact O-N 3.45Å; I181-Y185 HydrophobicContact CG2-CD2 4.23Å; I181-Y185 HydrophobicContact CG2-CE2 3.86Å; I181-Y185 WeakPolarHBondContact O-CD2 3.35Å; I181-K272 HydrophobicContact CB-CD 4.32Å; I181-K272 VanDerWaalsContact CB-NZ 3.27Å; I181-K272 HydrophobicContact CD1-CD 3.34Å; I181-K272 HydrophobicContact CD1-CG 3.83Å; I181-K272 HydrophobicContact CG1-CD 4.29Å; I181-K272 HydrophobicContact CG2-CD 4.19Å; I181-K272 HydrophobicContact CG2-CG 4.16Å; I181-T273 HydrophobicContact CG2-CG2 4.15Å
182	L	26.6	Very low	29.2	Very low	92 Å²	92	99.3 Å²	99.3	48%	0.482	51%	0.51	S	S	.	.	H	α-helix	trans	-73.7	-23.4	174.2	-77.1	165	0	0	0	113.6	Y185 N186	L182-Y185 PolarHBondContact O-N 3.18Å; L182-N186 PolarHBondContact O-N 3.37Å
183	K	27.9	Very low	30.5	Very low	144 Å²	144	94.6 Å²	94.6	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-70	-31.2	172.4	-87.5	-178.1	177.2	174.6	0	112.7	I181 N187	I181-K183 VanDerWaalsContact C-N 3.35Å; I181-K183 PolarHBondContact O-N 3.31Å; K183-N187 WeakPolarHBondContact O-CB 3.41Å; K183-N187 PolarHBondContact O-N 3.31Å; K183-N187 VanDerWaalsContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.83Å
184	Q	32.2	Very low	32	Very low	81 Å²	81	89.5 Å²	89.5	38%	0.379	46%	0.456	S	S	.	.	H	α-helix	trans	-70.9	-35.4	177.1	-152.4	168.9	14.6	0	0	111.3	I181 N187 F188	I181-Q184 PolarHBondContact O-N 3.45Å; Q184-N187 PolarHBondContact O-N 2.89Å; Q184-F188 PolarHBondContact O-N 3.48Å
185	Y	31.9	Very low	34	Very low	74 Å²	74	83.6 Å²	83.6	29%	0.29	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-42.5	173.5	-81.7	-74.8	0	0	0	113.9	I181 L182 F188 T273	I181-Y185 HydrophobicContact CG2-CD2 4.23Å; I181-Y185 HydrophobicContact CG2-CE2 3.86Å; I181-Y185 WeakPolarHBondContact O-CD2 3.35Å; L182-Y185 PolarHBondContact O-N 3.18Å; Y185-F188 WeakPolarHBondContact O-CB 3.45Å; Y185-F188 PolarHBondContact O-N 3.08Å; Y185-T273 HydrophobicContact CE2-CG2 3.47Å; Y185-T273 VanDerWaalsContact CE2-CG2 3.47Å; Y185-T273 WeakPolarHBondContact OH-CB 3.21Å; Y185-T273 WeakPolarHBondContact OH-CG2 3.48Å; Y185-T273 PolarHBondContact OH-OG1 3.46Å
186	N	29.4	Very low	36.6	Very low	78 Å²	78	82.1 Å²	82.1	42%	0.417	41%	0.414	S	S	.	.	H	α-helix	trans	-72.5	-27.9	177.5	-80.7	-35.2	0	0	0	113.1	K141 L182	K141-N186 PolarHBondContact NZ-OD1 3.39Å; L182-N186 PolarHBondContact O-N 3.37Å
187	N	31.4	Very low	39.2	Very low	95 Å²	95	79.1 Å²	79.1	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-77.6	-28.4	172.8	-76.5	-33.2	0	0	0	113	K183 Q184 F189 F190 H191	K183-N187 WeakPolarHBondContact O-CB 3.41Å; K183-N187 PolarHBondContact O-N 3.31Å; K183-N187 VanDerWaalsContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.83Å; Q184-N187 PolarHBondContact O-N 2.89Å; N187-F189 VanDerWaalsContact C-N 3.26Å; N187-F189 PolarHBondContact O-N 3.38Å; N187-F190 PolarHBondContact O-N 3.42Å; N187-H191 PolarHBondContact O-ND1 3.42Å
188	F	31.6	Very low	42.1	Very low	25 Å²	25	70.5 Å²	70.5	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-36.8	179.9	-155.3	-87.6	0	0	0	113.1	Q184 Y185 T300 N302	Q184-F188 PolarHBondContact O-N 3.48Å; Y185-F188 WeakPolarHBondContact O-CB 3.45Å; Y185-F188 PolarHBondContact O-N 3.08Å; F188-T300 WeakPolarHBondContact CE2-O 3.27Å; F188-N302 VanDerWaalsContact CZ-O 3.27Å; F188-N302 WeakPolarHBondContact CZ-O 3.47Å
189	F	37.5	Very low	44.6	Very low	55 Å²	55	65.8 Å²	65.8	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-95	-23.3	-176.2	-75.8	-76.3	0	0	0	113.9	F101 L140 N187 H191 L192	F101-F189 HydrophobicContact CE1-CE1 4.07Å; F101-F189 HydrophobicContact CE1-CZ 4.41Å; F101-F189 AromaticContact CZ-CE1 3.89Å; F101-F189 HydrophobicContact CZ-CE1 3.89Å; F101-F189 HydrophobicContact CZ-CZ 4.48Å; L140-F189 HydrophobicContact CD1-CD1 4.06Å; L140-F189 HydrophobicContact CD1-CE1 4.31Å; L140-F189 HydrophobicContact CD2-CB 4.49Å; L140-F189 HydrophobicContact CD2-CD1 3.36Å; L140-F189 HydrophobicContact CD2-CD2 4.22Å; L140-F189 HydrophobicContact CD2-CE1 3.45Å; L140-F189 VanDerWaalsContact CD2-CE1 3.45Å; L140-F189 HydrophobicContact CD2-CE2 4.28Å; L140-F189 HydrophobicContact CD2-CG 3.77Å; L140-F189 HydrophobicContact CD2-CZ 3.91Å; L140-F189 HydrophobicContact CG-CD1 4.37Å; L140-F189 HydrophobicContact CG-CE1 4.49Å; N187-F189 VanDerWaalsContact C-N 3.26Å; N187-F189 PolarHBondContact O-N 3.38Å; F189-H191 PolarHBondContact O-N 2.86Å; F189-L192 PolarHBondContact O-N 3.24Å
190	F	32.1	Very low	47.4	Very low	128 Å²	128	65.4 Å²	65.4	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-59.3	-24.1	168.6	-150.2	-86.3	0	0	0	111.2	N187 G194	N187-F190 PolarHBondContact O-N 3.42Å; F190-G194 WeakPolarHBondContact O-CA 3.47Å; F190-G194 PolarHBondContact O-N 2.83Å
191	H	38.3	Very low	50.2	Low	56 Å²	56	60.9 Å²	60.9	26%	0.259	30%	0.301	S	S	.	.	H	α-helix	trans	-94.7	-16.3	-177	-76.7	64.1	0	0	0	115.6	N187 F189 F353 P355	N187-H191 PolarHBondContact O-ND1 3.42Å; F189-H191 PolarHBondContact O-N 2.86Å; H191-F353 WeakPolarHBondContact O-CD2 3.12Å; H191-P355 VanDerWaalsContact CD2-CA 3.49Å; H191-P355 WeakPolarHBondContact CD2-CA 2.83Å; H191-P355 PolarHBondContact NE2-O 2.76Å
192	L	39.4	Very low	52.7	Low	10 Å²	10	59.1 Å²	59.1	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-82.4	-30.1	179.9	-141.7	125.6	0	0	0	112.7	A109 F189 A303 F353	A109-L192 HydrophobicContact CB-CD1 3.78Å; A109-L192 HydrophobicContact CB-CD2 3.42Å; A109-L192 VanDerWaalsContact CB-CD2 3.42Å; A109-L192 HydrophobicContact CB-CG 4.26Å; F189-L192 PolarHBondContact O-N 3.24Å; L192-A303 HydrophobicContact CD1-CB 3.31Å; L192-A303 HydrophobicContact CG-CB 4.07Å; L192-F353 HydrophobicContact CG-CZ 4.15Å
193	F	49.8	Very low	55.5	Low	13 Å²	13	55.8 Å²	55.8	6%	0.057	27%	0.274	C	S	.	.	H	α-helix	trans	-139.2	4.1	179	-62.2	-68.8	0	0	0	114.2	I195 L199 L202 L341	F193-I195 VanDerWaalsContact C-N 3.27Å; F193-I195 PolarHBondContact O-N 2.54Å; F193-L199 HydrophobicContact CB-CD1 4.41Å; F193-L199 WeakPolarHBondContact O-CB 3.22Å; F193-L202 HydrophobicContact CD1-CD1 3.47Å; F193-L202 VanDerWaalsContact CD1-CD1 3.47Å; F193-L202 HydrophobicContact CE1-CD1 3.49Å; F193-L202 VanDerWaalsContact CE1-CD1 3.49Å; F193-L341 HydrophobicContact CE1-CD1 4.4Å; F193-L341 HydrophobicContact CE1-CD2 4.12Å; F193-L341 HydrophobicContact CZ-CD2 4.5Å
194	G	51.2	Low	58.4	Low	33 Å²	33	54 Å²	54	34%	0.34	27%	0.266	S	S	.	.			trans	-87.2	10.5	177.7	0	0	0	0	0	114.5	F190 E196	F190-G194 WeakPolarHBondContact O-CA 3.47Å; F190-G194 PolarHBondContact O-N 2.83Å; G194-E196 PolarHBondContact O-N 2.93Å
195	I	67.3	Low	61.2	Low	23 Å²	23	50.8 Å²	50.8	12%	0.118	25%	0.252	C	S	.	.	S	Bend	trans	-79.3	108.8	159.2	-63.9	166.9	0	0	0	107	F193 S197 Y198 L199 F353 G357 A358	F193-I195 VanDerWaalsContact C-N 3.27Å; F193-I195 PolarHBondContact O-N 2.54Å; I195-S197 WeakPolarHBondContact CG2-OG 3.27Å; I195-S197 PolarHBondContact O-N 2.84Å; I195-S197 VanDerWaalsContact O-N 3.09Å; I195-Y198 HydrophobicContact CB-CD2 3.73Å; I195-Y198 HydrophobicContact CB-CE2 4.2Å; I195-Y198 HydrophobicContact CD1-CD2 4.05Å; I195-Y198 HydrophobicContact CD1-CE2 3.86Å; I195-Y198 HydrophobicContact CG2-CD2 3.67Å; I195-Y198 HydrophobicContact CG2-CE2 3.84Å; I195-Y198 HydrophobicContact CG2-CG 4.45Å; I195-Y198 PolarHBondContact O-N 2.74Å; I195-Y198 VanDerWaalsContact O-N 3.11Å; I195-L199 PolarHBondContact O-N 3.13Å; I195-L199 VanDerWaalsContact O-N 3.16Å; I195-F353 HydrophobicContact CD1-CB 3.2Å; I195-F353 HydrophobicContact CD1-CG 4.17Å; I195-G357 VanDerWaalsContact CD1-C 3.43Å; I195-A358 HydrophobicContact CD1-CB 4.23Å; I195-A358 HydrophobicContact CG2-CB 4.13Å
196	E	74.9	Confident	63.9	Low	125 Å²	125	47.4 Å²	47.4	58%	0.584	24%	0.239	S	C	*	.	H	α-helix	trans	-52.7	-34.9	-170.5	-167.7	-179.7	166.5	0	0	113.7	G194 L199 K200	G194-E196 PolarHBondContact O-N 2.93Å; E196-L199 PolarHBondContact O-N 2.82Å; E196-K200 HydrophobicContact CG-CD 4.22Å; E196-K200 WeakPolarHBondContact O-CB 3.41Å; E196-K200 VanDerWaalsContact O-CG 3.29Å; E196-K200 WeakPolarHBondContact O-CG 3.32Å; E196-K200 PolarHBondContact O-N 3.46Å; E196-K200 WeakPolarHBondContact OE1-CE 3.26Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 2.83Å
197	S	80.8	Confident	66.8	Low	44 Å²	44	49.1 Å²	49.1	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-44.4	179.5	57.2	0	0	0	0	113.3	I195 S201	I195-S197 WeakPolarHBondContact CG2-OG 3.27Å; I195-S197 PolarHBondContact O-N 2.84Å; I195-S197 VanDerWaalsContact O-N 3.09Å; S197-S201 PolarHBondContact O-N 3.41Å; S197-S201 PolarHBondContact O-OG 3.19Å
198	Y	84.1	Confident	69.7	Low	4 Å²	4	49 Å²	49	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-37.8	176.8	-58	-47.4	0	0	0	111.1	I195 S201 L202 I349 A351 E352 A358 E360	I195-Y198 HydrophobicContact CB-CD2 3.73Å; I195-Y198 HydrophobicContact CB-CE2 4.2Å; I195-Y198 HydrophobicContact CD1-CD2 4.05Å; I195-Y198 HydrophobicContact CD1-CE2 3.86Å; I195-Y198 HydrophobicContact CG2-CD2 3.67Å; I195-Y198 HydrophobicContact CG2-CE2 3.84Å; I195-Y198 HydrophobicContact CG2-CG 4.45Å; I195-Y198 PolarHBondContact O-N 2.74Å; I195-Y198 VanDerWaalsContact O-N 3.11Å; Y198-S201 PolarHBondContact O-N 2.89Å; Y198-L202 WeakPolarHBondContact O-CG 3.18Å; Y198-L202 PolarHBondContact O-N 2.97Å; Y198-I349 HydrophobicContact CD1-CG2 4.05Å; Y198-A351 HydrophobicContact CD1-CB 4.13Å; Y198-A351 HydrophobicContact CD2-CB 3.85Å; Y198-A351 HydrophobicContact CE1-CB 4.31Å; Y198-A351 HydrophobicContact CE2-CB 4.01Å; Y198-A351 HydrophobicContact CG-CB 3.95Å; Y198-E352 PolarHBondContact OH-O 3.45Å; Y198-A358 HydrophobicContact CE2-CB 4.34Å; Y198-E360 WeakPolarHBondContact CE1-OE1 3.48Å; Y198-E360 VanDerWaalsContact OH-CD 3.29Å; Y198-E360 WeakPolarHBondContact OH-CG 3.35Å; Y198-E360 PolarHBondContact OH-OE1 3.21Å
199	L	80.9	Confident	72.6	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-52.6	177.8	-172.1	57.8	0	0	0	111.6	V143 R144 F193 I195 E196 S201 L202 E203	V143-L199 HydrophobicContact CG1-CD1 4.06Å; R144-L199 HydrophobicContact CB-CD2 4.05Å; F193-L199 HydrophobicContact CB-CD1 4.41Å; F193-L199 WeakPolarHBondContact O-CB 3.22Å; I195-L199 PolarHBondContact O-N 3.13Å; I195-L199 VanDerWaalsContact O-N 3.16Å; E196-L199 PolarHBondContact O-N 2.82Å; L199-S201 PolarHBondContact O-N 2.91Å; L199-S201 VanDerWaalsContact O-N 3.16Å; L199-L202 PolarHBondContact O-N 3.37Å; L199-L202 VanDerWaalsContact O-N 3.09Å; L199-E203 WeakPolarHBondContact O-CG 3.36Å; L199-E203 PolarHBondContact O-N 3.22Å
200	K	84.5	Confident	75.3	Confident	113 Å²	113	53 Å²	53	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-54.3	-38.1	176.6	-76.6	174.8	179.7	169.5	0	112.4	E196 K204	E196-K200 HydrophobicContact CG-CD 4.22Å; E196-K200 WeakPolarHBondContact O-CB 3.41Å; E196-K200 VanDerWaalsContact O-CG 3.29Å; E196-K200 WeakPolarHBondContact O-CG 3.32Å; E196-K200 PolarHBondContact O-N 3.46Å; E196-K200 WeakPolarHBondContact OE1-CE 3.26Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 2.83Å; K200-K204 WeakPolarHBondContact O-CB 3.35Å; K200-K204 PolarHBondContact O-N 3.42Å
201	S	88.6	Confident	78.2	Confident	21 Å²	21	47.7 Å²	47.7	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-41.7	179.7	-59.1	0	0	0	0	112.1	S197 Y198 L199 K204 V205 S367	S197-S201 PolarHBondContact O-N 3.41Å; S197-S201 PolarHBondContact O-OG 3.19Å; Y198-S201 PolarHBondContact O-N 2.89Å; L199-S201 PolarHBondContact O-N 2.91Å; L199-S201 VanDerWaalsContact O-N 3.16Å; S201-K204 PolarHBondContact O-N 2.79Å; S201-V205 WeakPolarHBondContact O-CG2 3.31Å; S201-V205 PolarHBondContact O-N 3.2Å; S201-S367 WeakPolarHBondContact CB-O 3.17Å; S201-S367 PolarHBondContact OG-O 2.94Å; S201-S367 VanDerWaalsContact OG-O 3.08Å
202	L	87.3	Confident	80.8	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-38.8	175.3	-72.7	172.4	0	0	0	112.5	Y117 F193 Y198 L199 K204 V205 A206 L341 V343 I349	Y117-L202 HydrophobicContact CE2-CD2 3.96Å; F193-L202 HydrophobicContact CD1-CD1 3.47Å; F193-L202 VanDerWaalsContact CD1-CD1 3.47Å; F193-L202 HydrophobicContact CE1-CD1 3.49Å; F193-L202 VanDerWaalsContact CE1-CD1 3.49Å; Y198-L202 WeakPolarHBondContact O-CG 3.18Å; Y198-L202 PolarHBondContact O-N 2.97Å; L199-L202 PolarHBondContact O-N 3.37Å; L199-L202 VanDerWaalsContact O-N 3.09Å; L202-K204 VanDerWaalsContact C-N 3.34Å; L202-V205 PolarHBondContact O-N 2.95Å; L202-A206 PolarHBondContact O-N 3.23Å; L202-L341 HydrophobicContact CD1-CD1 3.91Å; L202-L341 HydrophobicContact CD2-CB 4.45Å; L202-L341 HydrophobicContact CD2-CD1 4.14Å; L202-L341 HydrophobicContact CD2-CD2 4.45Å; L202-L341 HydrophobicContact CG-CD1 4.35Å; L202-V343 HydrophobicContact CD2-CG1 4.21Å; L202-I349 HydrophobicContact CD2-CD1 4.16Å
203	E	85.1	Confident	83.3	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-50.4	169.2	-72.3	171.4	-125.3	0	0	109.9	R144 F145 L199 V205 A206 R207	R144-E203 WeakPolarHBondContact O-CG 3.31Å; F145-E203 HydrophobicContact CD1-CB 4.07Å; F145-E203 HydrophobicContact CD1-CG 4.27Å; F145-E203 HydrophobicContact CD2-CB 4.16Å; F145-E203 HydrophobicContact CD2-CG 3.85Å; F145-E203 HydrophobicContact CE1-CB 3.77Å; F145-E203 HydrophobicContact CE1-CG 4.39Å; F145-E203 WeakPolarHBondContact CE1-O 3.38Å; F145-E203 HydrophobicContact CE2-CB 3.97Å; F145-E203 HydrophobicContact CE2-CG 4.1Å; F145-E203 HydrophobicContact CG-CB 4.27Å; F145-E203 HydrophobicContact CG-CG 4.01Å; F145-E203 VanDerWaalsContact CZ-C 3.42Å; F145-E203 VanDerWaalsContact CZ-CA 3.41Å; F145-E203 HydrophobicContact CZ-CB 3.83Å; F145-E203 HydrophobicContact CZ-CG 4.42Å; F145-E203 WeakPolarHBondContact CZ-O 3.19Å; L199-E203 WeakPolarHBondContact O-CG 3.36Å; L199-E203 PolarHBondContact O-N 3.22Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 2.95Å; E203-A206 PolarHBondContact O-N 3.26Å; E203-A206 VanDerWaalsContact O-N 3.12Å; E203-R207 WeakPolarHBondContact O-CB 3.18Å; E203-R207 PolarHBondContact O-N 3.15Å; E203-R207 IonicContact OE2-NH1 3.34Å; E203-R207 PolarHBondContact OE2-NH1 2.91Å
204	K	88.2	Confident	85.3	Confident	108 Å²	108	50.7 Å²	50.7	47%	0.47	25%	0.252	S	S	.	.	H	α-helix	trans	-55.2	-45.6	177.7	-170.2	-173.3	-176.2	-56.7	0	111.4	K200 S201 L202 A206 R207 D208	K200-K204 WeakPolarHBondContact O-CB 3.35Å; K200-K204 PolarHBondContact O-N 3.42Å; S201-K204 PolarHBondContact O-N 2.79Å; L202-K204 VanDerWaalsContact C-N 3.34Å; K204-A206 PolarHBondContact O-N 3.07Å; K204-R207 PolarHBondContact O-N 3.06Å; K204-D208 IonicContact NZ-OD1 2.66Å; K204-D208 PolarHBondContact NZ-OD1 2.63Å; K204-D208 IonicContact NZ-OD2 3.29Å; K204-D208 PolarHBondContact NZ-OD2 3.34Å; K204-D208 WeakPolarHBondContact O-CB 3.2Å; K204-D208 PolarHBondContact O-N 3.27Å
205	V	90.3	Very high	87.2	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-45.7	177.3	168.7	0	0	0	0	112	Y117 S201 L202 E203 R207 K209 V343 I349 P369	Y117-V205 HydrophobicContact CD1-CG1 3.86Å; Y117-V205 HydrophobicContact CD2-CG1 4.45Å; Y117-V205 HydrophobicContact CE1-CG1 3.82Å; Y117-V205 HydrophobicContact CE2-CG1 4.42Å; Y117-V205 HydrophobicContact CG-CG1 4.19Å; S201-V205 WeakPolarHBondContact O-CG2 3.31Å; S201-V205 PolarHBondContact O-N 3.2Å; L202-V205 PolarHBondContact O-N 2.95Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 2.95Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-K209 HydrophobicContact CG1-CD 3.91Å; V205-K209 VanDerWaalsContact O-CB 3.27Å; V205-K209 WeakPolarHBondContact O-CB 3.31Å; V205-K209 VanDerWaalsContact O-CG 3.24Å; V205-K209 WeakPolarHBondContact O-CG 3.39Å; V205-K209 PolarHBondContact O-N 2.75Å; V205-V343 HydrophobicContact CG1-CB 3.97Å; V205-V343 HydrophobicContact CG1-CG1 4.13Å; V205-V343 HydrophobicContact CG2-CB 4.12Å; V205-V343 HydrophobicContact CG2-CG1 4.12Å; V205-V343 HydrophobicContact CG2-CG2 4.48Å; V205-I349 HydrophobicContact CG2-CD1 4.42Å; V205-P369 HydrophobicContact CG2-CG 4.32Å
206	A	90.1	Very high	88.5	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-34.9	179.7	0	0	0	0	0	112.4	Y117 F145 L202 E203 K204 K209 E210 I211 V213	Y117-A206 HydrophobicContact CE1-CB 4.48Å; F145-A206 HydrophobicContact CE2-CB 3.67Å; F145-A206 HydrophobicContact CZ-CB 3.63Å; L202-A206 PolarHBondContact O-N 3.23Å; E203-A206 PolarHBondContact O-N 3.26Å; E203-A206 VanDerWaalsContact O-N 3.12Å; K204-A206 PolarHBondContact O-N 3.07Å; A206-K209 PolarHBondContact O-N 2.83Å; A206-E210 PolarHBondContact O-N 2.88Å; A206-I211 HydrophobicContact CB-CB 4.33Å; A206-I211 PolarHBondContact O-N 3.11Å; A206-V213 HydrophobicContact CB-CG2 4.34Å
207	R	90.6	Very high	89.5	Confident	114 Å²	114	50.4 Å²	50.4	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-52.8	175	-120.7	169.7	-9	-117.9	-0.7	110.5	F145 E203 K204 V205 K209 E210	F145-R207 HydrophobicContact CD1-CG 4.15Å; F145-R207 HydrophobicContact CE1-CB 3.67Å; F145-R207 VanDerWaalsContact CE1-CD 3.41Å; F145-R207 HydrophobicContact CE1-CG 3.31Å; F145-R207 HydrophobicContact CZ-CB 4.01Å; F145-R207 HydrophobicContact CZ-CG 4.04Å; E203-R207 WeakPolarHBondContact O-CB 3.18Å; E203-R207 PolarHBondContact O-N 3.15Å; E203-R207 IonicContact OE2-NH1 3.34Å; E203-R207 PolarHBondContact OE2-NH1 2.91Å; K204-R207 PolarHBondContact O-N 3.06Å; V205-R207 VanDerWaalsContact C-N 3.34Å; R207-K209 PolarHBondContact O-N 3.24Å; R207-E210 PolarHBondContact O-N 3.08Å
208	D	90.7	Very high	90.3	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-26.1	-179.8	-64.4	-10.9	0	0	0	112.2	K204	K204-D208 IonicContact NZ-OD1 2.66Å; K204-D208 PolarHBondContact NZ-OD1 2.63Å; K204-D208 IonicContact NZ-OD2 3.29Å; K204-D208 PolarHBondContact NZ-OD2 3.34Å; K204-D208 WeakPolarHBondContact O-CB 3.2Å; K204-D208 PolarHBondContact O-N 3.27Å
209	K	92.8	Very high	91	Very high	27 Å²	27	49.5 Å²	49.5	12%	0.117	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.2	178.6	-69	-178	174.4	-59.3	0	113.8	Y117 D120 S121 R129 V205 A206 R207 I211 V343	Y117-K209 HydrophobicContact CD1-CD 4.05Å; D120-K209 HydrophobicContact CB-CD 4.19Å; D120-K209 VanDerWaalsContact OD2-CD 3.31Å; D120-K209 WeakPolarHBondContact OD2-CD 3.41Å; D120-K209 WeakPolarHBondContact OD2-CG 3.48Å; D120-K209 IonicContact OD2-NZ 2.88Å; D120-K209 PolarHBondContact OD2-NZ 3.01Å; S121-K209 PolarHBondContact OG-NZ 3.27Å; R129-K209 PolarHBondContact NH2-O 2.77Å; V205-K209 HydrophobicContact CG1-CD 3.91Å; V205-K209 VanDerWaalsContact O-CB 3.27Å; V205-K209 WeakPolarHBondContact O-CB 3.31Å; V205-K209 VanDerWaalsContact O-CG 3.24Å; V205-K209 WeakPolarHBondContact O-CG 3.39Å; V205-K209 PolarHBondContact O-N 2.75Å; A206-K209 PolarHBondContact O-N 2.83Å; R207-K209 PolarHBondContact O-N 3.24Å; K209-I211 VanDerWaalsContact C-N 3.34Å; K209-I211 HydrophobicContact CB-CD1 3.76Å; K209-I211 HydrophobicContact CB-CG1 3.86Å; K209-I211 HydrophobicContact CD-CD1 4.13Å; K209-I211 PolarHBondContact O-N 2.68Å; K209-V343 WeakPolarHBondContact CE-O 3.47Å
210	E	94	Very high	91.9	Very high	137 Å²	137	50.7 Å²	50.7	64%	0.64	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	51.4	-178	-59.8	163.6	-116.2	0	0	111.9	R129 A206 R207	R129-E210 PolarHBondContact NH2-O 3.38Å; R129-E210 VanDerWaalsContact NH2-O 3.15Å; A206-E210 PolarHBondContact O-N 2.88Å; R207-E210 PolarHBondContact O-N 3.08Å
211	I	92.7	Very high	92.6	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.087	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.6	178.2	-63.8	169.1	0	0	0	109.2	Y117 M134 A206 K209 V213	Y117-I211 HydrophobicContact CD1-CD1 3.44Å; Y117-I211 VanDerWaalsContact CD1-CD1 3.44Å; Y117-I211 HydrophobicContact CE1-CD1 3.51Å; M134-I211 HydrophobicContact CB-CG1 4.01Å; A206-I211 HydrophobicContact CB-CB 4.33Å; A206-I211 PolarHBondContact O-N 3.11Å; K209-I211 VanDerWaalsContact C-N 3.34Å; K209-I211 HydrophobicContact CB-CD1 3.76Å; K209-I211 HydrophobicContact CB-CG1 3.86Å; K209-I211 HydrophobicContact CD-CD1 4.13Å; K209-I211 PolarHBondContact O-N 2.68Å; I211-V213 HydrophobicContact CG2-CG2 4.01Å; I211-V213 PolarHBondContact O-N 3.22Å
212	D	93.9	Very high	93	Very high	49 Å²	49	47.2 Å²	47.2	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	100.4	171	177	9.3	0	0	0	109.5	H133 M134 I135 Y136 R214	H133-D212 IonicContact CE1-OD2 3.58Å; H133-D212 IonicContact NE2-OD2 2.73Å; M134-D212 PolarHBondContact O-N 2.76Å; I135-D212 CarbonylContact C-O 3.39Å; I135-D212 WeakPolarHBondContact CA-O 3.42Å; I135-D212 HydrophobicContact CG1-CB 4.35Å; Y136-D212 PolarHBondContact N-O 3.13Å; D212-R214 WeakPolarHBondContact OD1-CG 3.27Å; D212-R214 IonicContact OD1-NE 2.68Å; D212-R214 IonicContact OD2-CZ 3.35Å; D212-R214 VanDerWaalsContact OD2-CZ 3.24Å; D212-R214 IonicContact OD2-NE 3.5Å; D212-R214 PolarHBondContact OD2-NE 2.81Å; D212-R214 IonicContact OD2-NH2 2.88Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å
213	V	91.4	Very high	93.6	Very high	38 Å²	38	49.3 Å²	49.3	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	105.7	178.6	-179	0	0	0	0	110	Y136 V143 A206 I211	Y136-V213 HydrophobicContact CD1-CG1 4.14Å; Y136-V213 WeakPolarHBondContact O-CA 3.37Å; V143-V213 HydrophobicContact CB-CG1 4.16Å; V143-V213 HydrophobicContact CG2-CG1 4.17Å; A206-V213 HydrophobicContact CB-CG2 4.34Å; I211-V213 HydrophobicContact CG2-CG2 4.01Å; I211-V213 PolarHBondContact O-N 3.22Å
214	R	92.5	Very high	94.1	Very high	54 Å²	54	50.5 Å²	50.5	20%	0.204	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.8	178	-60	-171.1	-173	-176.2	6.4	110.9	I135 Y136 A137 T138 D212 R217 E245	I135-R214 HydrophobicContact CG2-CG 4.27Å; Y136-R214 PolarHBondContact O-N 2.97Å; A137-R214 CarbonylContact C-O 3.45Å; A137-R214 WeakPolarHBondContact CA-O 3.27Å; T138-R214 PolarHBondContact N-O 3.07Å; D212-R214 WeakPolarHBondContact OD1-CG 3.27Å; D212-R214 IonicContact OD1-NE 2.68Å; D212-R214 IonicContact OD2-CZ 3.35Å; D212-R214 VanDerWaalsContact OD2-CZ 3.24Å; D212-R214 IonicContact OD2-NE 3.5Å; D212-R214 PolarHBondContact OD2-NE 2.81Å; D212-R214 IonicContact OD2-NH2 2.88Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å; R214-R217 HydrophobicContact CB-CG 4.48Å; R214-E245 IonicContact CZ-OE1 3.69Å; R214-E245 IonicContact NH1-OE1 3.67Å; R214-E245 PolarHBondContact NH1-OE1 3.38Å
215	T	91.4	Very high	94.5	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.209	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	160.9	176.5	54.8	0	0	0	0	112.3	T138 L140 V143 R217	T138-T215 HydrophobicContact CG2-CG2 4.17Å; T138-T215 CarbonylContact O-C 3.56Å; T138-T215 VanDerWaalsContact O-C 3.24Å; T138-T215 WeakPolarHBondContact O-CA 3.46Å; L140-T215 WeakPolarHBondContact O-CB 3.41Å; V143-T215 HydrophobicContact CG2-CG2 4.49Å; T215-R217 VanDerWaalsContact C-N 3.28Å; T215-R217 WeakPolarHBondContact O-CD 3.47Å; T215-R217 PolarHBondContact O-N 3.42Å; T215-R217 PolarHBondContact O-NH1 2.74Å
216	R	93.8	Very high	94.7	Very high	80 Å²	80	56.5 Å²	56.5	30%	0.302	28%	0.276	S	S	.	.	S	Bend	trans	58.3	33.3	178.7	-56	-176.5	-65.4	-174.6	-8.6	114.9	T138 L140 L234 D235 E236	T138-R216 WeakPolarHBondContact O-CA 3.25Å; T138-R216 PolarHBondContact O-N 2.78Å; L140-R216 PolarHBondContact O-N 2.79Å; L140-R216 VanDerWaalsContact O-N 3.16Å; R216-L234 HydrophobicContact CB-CB 4Å; R216-L234 WeakPolarHBondContact CB-O 3.26Å; R216-L234 WeakPolarHBondContact CD-O 3.41Å; R216-L234 PolarHBondContact O-N 2.88Å; R216-D235 WeakPolarHBondContact CD-O 3.29Å; R216-E236 IonicContact CZ-OE1 2.68Å; R216-E236 IonicContact NH1-OE1 2.88Å; R216-E236 PolarHBondContact NH1-OE1 3.47Å
217	R	96.8	Very high	95.1	Very high	62 Å²	62	62.9 Å²	62.9	23%	0.234	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	173.2	-83	70.6	170.2	-166.5	-1.5	109.2	A137 T138 S139 R214 T215 F231 L233 E245	A137-R217 HydrophobicContact CB-CB 4.15Å; T138-R217 CarbonylContact C-O 3.3Å; T138-R217 PolarHBondContact O-N 2.74Å; S139-R217 WeakPolarHBondContact CA-O 3.45Å; S139-R217 PolarHBondContact N-O 3.5Å; R214-R217 HydrophobicContact CB-CG 4.48Å; T215-R217 VanDerWaalsContact C-N 3.28Å; T215-R217 WeakPolarHBondContact O-CD 3.47Å; T215-R217 PolarHBondContact O-N 3.42Å; T215-R217 PolarHBondContact O-NH1 2.74Å; R217-F231 HydrophobicContact CB-CB 4.08Å; R217-F231 HydrophobicContact CB-CD1 3.71Å; R217-F231 HydrophobicContact CB-CE1 4.48Å; R217-F231 HydrophobicContact CB-CG 4.1Å; R217-F231 HydrophobicContact CG-CB 4.15Å; R217-F231 HydrophobicContact CG-CD1 4.49Å; R217-F231 HydrophobicContact CG-CG 4.41Å; R217-L233 HydrophobicContact CG-CD2 3.97Å; R217-E245 IonicContact CZ-OE2 3.2Å; R217-E245 IonicContact NE-OE2 2.6Å; R217-E245 PolarHBondContact NE-OE2 3.17Å; R217-E245 IonicContact NH2-OE2 3.44Å; R217-E245 PolarHBondContact NH2-OE2 3.11Å
218	N	97.9	Very high	95.5	Very high	22 Å²	22	58.9 Å²	58.9	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.1	175.1	-178	50.4	0	0	0	110.1	N103 I220 F231 E232 L234	N103-N218 HydrophobicContact CB-CB 4.11Å; N103-N218 WeakPolarHBondContact CB-OD1 3.34Å; N103-N218 PolarHBondContact N-OD1 3.01Å; N218-I220 PolarHBondContact O-N 3.18Å; N218-F231 CarbonylContact O-C 3.22Å; N218-F231 VanDerWaalsContact O-CA 3.23Å; N218-F231 WeakPolarHBondContact O-CA 3.12Å; N218-E232 PolarHBondContact N-O 3.33Å; N218-E232 PolarHBondContact O-N 2.72Å; N218-L234 HydrophobicContact CB-CD1 4.14Å; N218-L234 HydrophobicContact CB-CD2 4.3Å; N218-L234 HydrophobicContact CB-CG 4.33Å
219	L	98.7	Very high	95.9	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.2	177.2	179.6	67.7	0	0	0	109.7	I61 T100 E221 V222 A229 F231 I254	I61-L219 HydrophobicContact CD1-CD2 4.01Å; I61-L219 HydrophobicContact CD1-CG 4.35Å; I61-L219 HydrophobicContact CG2-CD2 4.16Å; I61-L219 HydrophobicContact CG2-CG 3.97Å; T100-L219 HydrophobicContact CG2-CB 4.24Å; T100-L219 HydrophobicContact CG2-CD2 3.98Å; L219-E221 WeakPolarHBondContact CD1-O 3.08Å; L219-V222 HydrophobicContact CD1-CG2 4.17Å; L219-V222 HydrophobicContact CD2-CG2 3.97Å; L219-V222 HydrophobicContact CG-CG2 4.4Å; L219-A229 HydrophobicContact CD1-CB 3.8Å; L219-F231 HydrophobicContact CB-CD1 4.08Å; L219-F231 HydrophobicContact CB-CE1 3.79Å; L219-F231 HydrophobicContact CB-CZ 4.42Å; L219-F231 HydrophobicContact CD1-CE1 4.16Å; L219-F231 HydrophobicContact CD1-CE2 4.25Å; L219-F231 HydrophobicContact CD1-CZ 4Å; L219-I254 HydrophobicContact CD2-CG1 4.18Å; L219-I254 HydrophobicContact CD2-CG2 4.26Å
220	I	98.6	Very high	96.2	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.256	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	-22.6	-179.6	57.6	161.3	0	0	0	113.6	I61 K62 N218 T230 E232 T244	I61-I220 CarbonylContact C-O 3.52Å; I61-I220 WeakPolarHBondContact CA-O 3.42Å; K62-I220 PolarHBondContact N-O 2.86Å; N218-I220 PolarHBondContact O-N 3.18Å; I220-T230 HydrophobicContact CD1-CG2 4.27Å; I220-T230 HydrophobicContact CG1-CG2 4.24Å; I220-T230 WeakPolarHBondContact CG1-O 3.11Å; I220-T230 PolarHBondContact N-O 2.89Å; I220-E232 HydrophobicContact CD1-CB 4.14Å; I220-E232 HydrophobicContact CG1-CB 4.38Å; I220-E232 HydrophobicContact CG2-CB 3.8Å; I220-T244 HydrophobicContact CD1-CG2 4.16Å
221	E	98.8	Very high	96.4	Very high	54 Å²	54	47.1 Å²	47.1	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	145.9	179.2	175.8	174.7	-151.8	0	0	111.8	K62 L219 T230	K62-E221 HydrophobicContact CB-CB 4.06Å; K62-E221 HydrophobicContact CB-CG 4.07Å; K62-E221 HydrophobicContact CD-CG 4.15Å; K62-E221 WeakPolarHBondContact CD-OE1 3.49Å; K62-E221 VanDerWaalsContact CE-OE1 3.26Å; K62-E221 WeakPolarHBondContact CE-OE1 3.43Å; K62-E221 HydrophobicContact CG-CG 4.23Å; K62-E221 IonicContact NZ-OE1 3.73Å; K62-E221 PolarHBondContact NZ-OE1 3.47Å; K62-E221 IonicContact NZ-OE2 3.78Å; K62-E221 CarbonylContact O-C 3.58Å; K62-E221 VanDerWaalsContact O-CA 3.32Å; K62-E221 WeakPolarHBondContact O-CA 3.27Å; L219-E221 WeakPolarHBondContact CD1-O 3.08Å; E221-T230 PolarHBondContact N-O 3.01Å; E221-T230 PolarHBondContact O-N 3.34Å
222	V	98.8	Very high	96.6	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.6	171.8	-177.3	0	0	0	0	108.6	I61 K62 A67 L219 Y249 L252 I254	I61-V222 HydrophobicContact CG2-CG2 4.08Å; K62-V222 PolarHBondContact O-N 3.3Å; A67-V222 HydrophobicContact CB-CB 4.15Å; A67-V222 HydrophobicContact CB-CG1 3.57Å; L219-V222 HydrophobicContact CD1-CG2 4.17Å; L219-V222 HydrophobicContact CD2-CG2 3.97Å; L219-V222 HydrophobicContact CG-CG2 4.4Å; V222-Y249 HydrophobicContact CG1-CE1 4.04Å; V222-Y249 WeakPolarHBondContact CG1-OH 3.48Å; V222-L252 HydrophobicContact CB-CD2 4.42Å; V222-L252 HydrophobicContact CG1-CD2 3.73Å; V222-L252 HydrophobicContact CG2-CD2 3.73Å; V222-I254 HydrophobicContact CG2-CD1 4.14Å
223	N	98.1	Very high	96.8	Very high	47 Å²	47	48 Å²	48	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120	170.6	178.9	-17.5	0	0	0	108.5	N225 D226 R227 I228 Y249	N223-N225 WeakPolarHBondContact OD1-CB 3.25Å; N223-N225 PolarHBondContact OD1-N 2.94Å; N223-D226 PolarHBondContact ND2-OD2 3.26Å; N223-D226 PolarHBondContact OD1-N 2.98Å; N223-R227 CarbonylContact O-C 3.52Å; N223-R227 VanDerWaalsContact O-CA 3.25Å; N223-R227 WeakPolarHBondContact O-CA 3.44Å; N223-R227 PolarHBondContact O-N 3.2Å; N223-I228 PolarHBondContact N-O 2.69Å; N223-I228 PolarHBondContact O-N 3.01Å; N223-Y249 PolarHBondContact O-OH 3.34Å
224	T	97	Very high	96.9	Very high	47 Å²	47	46.5 Å²	46.5	29%	0.288	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24	-178.3	47.6	0	0	0	0	113.8	A67 T70	A67-T224 HydrophobicContact CB-CG2 3.46Å; A67-T224 VanDerWaalsContact CB-CG2 3.46Å; T70-T224 HydrophobicContact CG2-CG2 4.01Å; T70-T224 WeakPolarHBondContact OG1-CG2 3.31Å
225	N	95.2	Very high	96.8	Very high	146 Å²	146	46 Å²	46	78%	0.781	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-48.2	179.1	-64.8	-26	0	0	0	109.8	N223	N223-N225 WeakPolarHBondContact OD1-CB 3.25Å; N223-N225 PolarHBondContact OD1-N 2.94Å
226	D	96.3	Very high	96.4	Very high	100 Å²	100	49.6 Å²	49.6	54%	0.535	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.7	-179	-51.6	-48	0	0	0	112.3	N223 I228	N223-D226 PolarHBondContact ND2-OD2 3.26Å; N223-D226 PolarHBondContact OD1-N 2.98Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 HydrophobicContact CB-CD1 3.7Å; D226-I228 HydrophobicContact CB-CG1 3.94Å; D226-I228 PolarHBondContact O-N 3.2Å
227	R	97.8	Very high	95.8	Very high	137 Å²	137	50.8 Å²	50.8	52%	0.517	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.1	-172	-58.4	-176.4	175.2	173.3	-0.3	113	N223 E248 Y249	N223-R227 CarbonylContact O-C 3.52Å; N223-R227 VanDerWaalsContact O-CA 3.25Å; N223-R227 WeakPolarHBondContact O-CA 3.44Å; N223-R227 PolarHBondContact O-N 3.2Å; R227-E248 CarbonylContact O-C 3.24Å; R227-E248 WeakPolarHBondContact O-CA 3.27Å; R227-Y249 HydrophobicContact CB-CD2 4.44Å; R227-Y249 HydrophobicContact CB-CE1 4.38Å; R227-Y249 HydrophobicContact CB-CE2 4.17Å; R227-Y249 WeakPolarHBondContact CB-O 3.43Å; R227-Y249 WeakPolarHBondContact O-CD1 3.47Å; R227-Y249 WeakPolarHBondContact O-CE1 3.4Å; R227-Y249 PolarHBondContact O-N 3.4Å
228	I	98.5	Very high	95.3	Very high	30 Å²	30	49 Å²	49	15%	0.154	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.5	179.9	-66.2	172	0	0	0	110	N223 D226 Q246 E248	N223-I228 PolarHBondContact N-O 2.69Å; N223-I228 PolarHBondContact O-N 3.01Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 HydrophobicContact CB-CD1 3.7Å; D226-I228 HydrophobicContact CB-CG1 3.94Å; D226-I228 PolarHBondContact O-N 3.2Å; I228-Q246 HydrophobicContact CG2-CB 3.76Å; I228-Q246 HydrophobicContact CG2-CG 3.89Å; I228-E248 HydrophobicContact CG1-CG 4.14Å
229	A	98.8	Very high	94.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.4	169	0	0	0	0	0	109.3	L98 L219 F231 I247 Y249 L252	L98-A229 HydrophobicContact CD2-CB 3.69Å; L219-A229 HydrophobicContact CD1-CB 3.8Å; A229-F231 HydrophobicContact CB-CE2 3.75Å; A229-F231 HydrophobicContact CB-CZ 4.31Å; A229-I247 PolarHBondContact N-O 2.87Å; A229-I247 PolarHBondContact O-N 2.87Å; A229-Y249 HydrophobicContact CB-CD1 3.93Å; A229-Y249 HydrophobicContact CB-CE1 4.3Å; A229-L252 HydrophobicContact CB-CD2 4.46Å
230	T	98.8	Very high	94.6	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.1	178.9	-52.4	0	0	0	0	109.9	I220 E221 T244 Q246	I220-T230 HydrophobicContact CD1-CG2 4.27Å; I220-T230 HydrophobicContact CG1-CG2 4.24Å; I220-T230 WeakPolarHBondContact CG1-O 3.11Å; I220-T230 PolarHBondContact N-O 2.89Å; E221-T230 PolarHBondContact N-O 3.01Å; E221-T230 PolarHBondContact O-N 3.34Å; T230-T244 HydrophobicContact CG2-CG2 4.13Å; T230-Q246 HydrophobicContact CG2-CG 4.34Å
231	F	98.7	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.3	177	-65.6	-94.4	0	0	0	110.6	L98 T100 A137 R217 N218 L219 A229 T244 E245 I247	L98-F231 HydrophobicContact CD1-CE2 4.41Å; L98-F231 HydrophobicContact CD1-CZ 3.99Å; L98-F231 HydrophobicContact CD2-CE2 3.81Å; L98-F231 HydrophobicContact CD2-CZ 3.83Å; L98-F231 HydrophobicContact CG-CZ 4.21Å; T100-F231 HydrophobicContact CG2-CE1 3.77Å; T100-F231 HydrophobicContact CG2-CZ 3.71Å; A137-F231 HydrophobicContact CB-CD1 4.14Å; A137-F231 HydrophobicContact CB-CE1 3.46Å; A137-F231 VanDerWaalsContact CB-CE1 3.46Å; A137-F231 HydrophobicContact CB-CZ 3.73Å; R217-F231 HydrophobicContact CB-CB 4.08Å; R217-F231 HydrophobicContact CB-CD1 3.71Å; R217-F231 HydrophobicContact CB-CE1 4.48Å; R217-F231 HydrophobicContact CB-CG 4.1Å; R217-F231 HydrophobicContact CG-CB 4.15Å; R217-F231 HydrophobicContact CG-CD1 4.49Å; R217-F231 HydrophobicContact CG-CG 4.41Å; N218-F231 CarbonylContact O-C 3.22Å; N218-F231 VanDerWaalsContact O-CA 3.23Å; N218-F231 WeakPolarHBondContact O-CA 3.12Å; L219-F231 HydrophobicContact CB-CD1 4.08Å; L219-F231 HydrophobicContact CB-CE1 3.79Å; L219-F231 HydrophobicContact CB-CZ 4.42Å; L219-F231 HydrophobicContact CD1-CE1 4.16Å; L219-F231 HydrophobicContact CD1-CE2 4.25Å; L219-F231 HydrophobicContact CD1-CZ 4Å; A229-F231 HydrophobicContact CB-CE2 3.75Å; A229-F231 HydrophobicContact CB-CZ 4.31Å; F231-T244 CarbonylContact O-C 3.52Å; F231-T244 WeakPolarHBondContact O-CA 3.26Å; F231-T244 WeakPolarHBondContact O-CB 3.37Å; F231-E245 PolarHBondContact N-O 2.77Å; F231-E245 PolarHBondContact O-N 2.91Å; F231-I247 HydrophobicContact CD2-CB 4.48Å; F231-I247 HydrophobicContact CD2-CD1 3.81Å; F231-I247 HydrophobicContact CD2-CG1 4.02Å; F231-I247 HydrophobicContact CE2-CB 4.13Å; F231-I247 HydrophobicContact CE2-CD1 3.7Å; F231-I247 HydrophobicContact CE2-CG1 4.05Å; F231-I247 HydrophobicContact CZ-CD1 4.5Å
232	E	98.1	Very high	94.3	Very high	40 Å²	40	57.7 Å²	57.7	19%	0.187	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.9	163.4	-176.8	173.2	-129.4	0	0	109.6	N218 I220 P240	N218-E232 PolarHBondContact N-O 3.33Å; N218-E232 PolarHBondContact O-N 2.72Å; I220-E232 HydrophobicContact CD1-CB 4.14Å; I220-E232 HydrophobicContact CG1-CB 4.38Å; I220-E232 HydrophobicContact CG2-CB 3.8Å; E232-P240 HydrophobicContact CG-CB 4.27Å; E232-P240 WeakPolarHBondContact OE1-CB 3.32Å; E232-P240 WeakPolarHBondContact OE2-CG 3.21Å
233	L	96.6	Very high	94.2	Very high	44 Å²	44	64.4 Å²	64.4	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.7	176.9	-61.1	-176	0	0	0	110.1	R217 T241 K243 E245	R217-L233 HydrophobicContact CG-CD2 3.97Å; L233-T241 WeakPolarHBondContact CB-OG1 3.47Å; L233-T241 WeakPolarHBondContact O-CB 3.41Å; L233-T241 WeakPolarHBondContact O-CG2 3.45Å; L233-T241 PolarHBondContact O-N 3.18Å; L233-T241 PolarHBondContact O-OG1 3.25Å; L233-K243 HydrophobicContact CB-CB 4.42Å; L233-K243 HydrophobicContact CD1-CB 4.02Å; L233-K243 HydrophobicContact CG-CB 4.46Å; L233-K243 PolarHBondContact N-O 3.28Å; L233-E245 HydrophobicContact CD2-CB 3.96Å; L233-E245 HydrophobicContact CG-CB 4.47Å
234	L	93.3	Very high	94.2	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	151.3	-179.3	-51.9	177.3	0	0	0	112.2	N103 S139 R216 N218 A238 K239	N103-L234 HydrophobicContact CB-CD1 4.2Å; S139-L234 WeakPolarHBondContact O-CD1 3.33Å; R216-L234 HydrophobicContact CB-CB 4Å; R216-L234 WeakPolarHBondContact CB-O 3.26Å; R216-L234 WeakPolarHBondContact CD-O 3.41Å; R216-L234 PolarHBondContact O-N 2.88Å; N218-L234 HydrophobicContact CB-CD1 4.14Å; N218-L234 HydrophobicContact CB-CD2 4.3Å; N218-L234 HydrophobicContact CB-CG 4.33Å; L234-A238 HydrophobicContact CD1-CB 4.49Å; L234-K239 CarbonylContact C-O 3.59Å; L234-K239 VanDerWaalsContact CA-O 3.24Å; L234-K239 WeakPolarHBondContact CA-O 3.03Å
235	D	90.4	Very high	94.3	Very high	44 Å²	44	65.8 Å²	65.8	24%	0.235	35%	0.35	C	S	.	.			trans	-82.8	-172.6	173.4	67.8	10.9	0	0	0	113	R216 E237 A238 K239 T241	R216-D235 WeakPolarHBondContact CD-O 3.29Å; D235-E237 PolarHBondContact O-N 2.74Å; D235-E237 VanDerWaalsContact OD1-C 3.26Å; D235-E237 WeakPolarHBondContact OD1-CA 2.82Å; D235-E237 WeakPolarHBondContact OD1-CB 2.85Å; D235-E237 PolarHBondContact OD1-N 2.88Å; D235-A238 PolarHBondContact O-N 3.49Å; D235-A238 PolarHBondContact OD1-N 3.35Å; D235-K239 PolarHBondContact N-O 2.87Å; D235-K239 PolarHBondContact OD1-N 3.33Å; D235-K239 WeakPolarHBondContact OD2-CB 3.42Å; D235-T241 HydrophobicContact CB-CG2 4.08Å
236	E	84.1	Confident	94.4	Very high	110 Å²	110	65.1 Å²	65.1	51%	0.514	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.3	175.4	-67.8	-62.6	154.8	0	0	113.4	K141 R216	K141-E236 WeakPolarHBondContact CD-O 3.5Å; K141-E236 VanDerWaalsContact CE-C 3.44Å; K141-E236 WeakPolarHBondContact CE-O 3.39Å; K141-E236 PolarHBondContact NZ-O 2.92Å; R216-E236 IonicContact CZ-OE1 2.68Å; R216-E236 IonicContact NH1-OE1 2.88Å; R216-E236 PolarHBondContact NH1-OE1 3.47Å
237	E	81.2	Confident	94.5	Very high	105 Å²	105	60.7 Å²	60.7	49%	0.491	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.1	175.4	-72.9	65.5	-139	0	0	112	K141 D235 K239	K141-E237 VanDerWaalsContact NZ-C 3.28Å; K141-E237 PolarHBondContact NZ-O 2.93Å; D235-E237 PolarHBondContact O-N 2.74Å; D235-E237 VanDerWaalsContact OD1-C 3.26Å; D235-E237 WeakPolarHBondContact OD1-CA 2.82Å; D235-E237 WeakPolarHBondContact OD1-CB 2.85Å; D235-E237 PolarHBondContact OD1-N 2.88Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 HydrophobicContact CB-CD 4.18Å; E237-K239 HydrophobicContact CB-CG 4.06Å
238	A	85.1	Confident	94.5	Very high	24 Å²	24	60.5 Å²	60.5	20%	0.198	32%	0.323	C	S	.	.	S	Bend	trans	64.1	28.6	-171.1	0	0	0	0	0	113.1	N103 K141 L234 D235	N103-A238 PolarHBondContact ND2-O 3.32Å; K141-A238 VanDerWaalsContact CE-N 3.29Å; L234-A238 HydrophobicContact CD1-CB 4.49Å; D235-A238 PolarHBondContact O-N 3.49Å; D235-A238 PolarHBondContact OD1-N 3.35Å
239	K	90.2	Very high	94.5	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.439	32%	0.317	S	S	.	.			trans	-97.7	149	173.3	-59.1	177.3	178.4	177.3	0	110.8	L234 D235 E237 T241	L234-K239 CarbonylContact C-O 3.59Å; L234-K239 VanDerWaalsContact CA-O 3.24Å; L234-K239 WeakPolarHBondContact CA-O 3.03Å; D235-K239 PolarHBondContact N-O 2.87Å; D235-K239 PolarHBondContact OD1-N 3.33Å; D235-K239 WeakPolarHBondContact OD2-CB 3.42Å; E237-K239 VanDerWaalsContact C-N 3.26Å; E237-K239 HydrophobicContact CB-CD 4.18Å; E237-K239 HydrophobicContact CB-CG 4.06Å; K239-T241 PolarHBondContact O-N 2.74Å
240	P	93.4	Very high	94.5	Very high	76 Å²	76	61.6 Å²	61.6	49%	0.494	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	131.4	169.4	-36.3	42.7	0	0	0	114.7	E232	E232-P240 HydrophobicContact CG-CB 4.27Å; E232-P240 WeakPolarHBondContact OE1-CB 3.32Å; E232-P240 WeakPolarHBondContact OE2-CG 3.21Å
241	T	94.9	Very high	94.5	Very high	69 Å²	69	61.2 Å²	61.2	42%	0.423	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-8	171.5	62.6	0	0	0	0	113.4	L233 D235 K239 K243	L233-T241 WeakPolarHBondContact CB-OG1 3.47Å; L233-T241 WeakPolarHBondContact O-CB 3.41Å; L233-T241 WeakPolarHBondContact O-CG2 3.45Å; L233-T241 PolarHBondContact O-N 3.18Å; L233-T241 PolarHBondContact O-OG1 3.25Å; D235-T241 HydrophobicContact CB-CG2 4.08Å; K239-T241 PolarHBondContact O-N 2.74Å; T241-K243 PolarHBondContact O-N 3.44Å; T241-K243 PolarHBondContact OG1-N 2.9Å
242	G	94.4	Very high	94.5	Very high	69 Å²	69	61.2 Å²	61.2	71%	0.711	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.6	-3.4	-171.2	0	0	0	0	0	114.6
243	K	97.4	Very high	94.5	Very high	147 Å²	147	59.3 Å²	59.3	64%	0.639	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.8	174.3	-63.7	-178.1	-179.6	-179.3	0	111	L233 T241	L233-K243 HydrophobicContact CB-CB 4.42Å; L233-K243 HydrophobicContact CD1-CB 4.02Å; L233-K243 HydrophobicContact CG-CB 4.46Å; L233-K243 PolarHBondContact N-O 3.28Å; T241-K243 PolarHBondContact O-N 3.44Å; T241-K243 PolarHBondContact OG1-N 2.9Å
244	T	98.2	Very high	94.6	Very high	86 Å²	86	57.2 Å²	57.2	53%	0.528	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.8	176.6	58.9	0	0	0	0	112.4	I220 T230 F231	I220-T244 HydrophobicContact CD1-CG2 4.16Å; T230-T244 HydrophobicContact CG2-CG2 4.13Å; F231-T244 CarbonylContact O-C 3.52Å; F231-T244 WeakPolarHBondContact O-CA 3.26Å; F231-T244 WeakPolarHBondContact O-CB 3.37Å
245	E	98.3	Very high	94.8	Very high	38 Å²	38	57 Å²	57	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.6	173.4	-179.1	-175.9	165.1	0	0	107.7	R214 R217 F231 L233 I247	R214-E245 IonicContact CZ-OE1 3.69Å; R214-E245 IonicContact NH1-OE1 3.67Å; R214-E245 PolarHBondContact NH1-OE1 3.38Å; R217-E245 IonicContact CZ-OE2 3.2Å; R217-E245 IonicContact NE-OE2 2.6Å; R217-E245 PolarHBondContact NE-OE2 3.17Å; R217-E245 IonicContact NH2-OE2 3.44Å; R217-E245 PolarHBondContact NH2-OE2 3.11Å; F231-E245 PolarHBondContact N-O 2.77Å; F231-E245 PolarHBondContact O-N 2.91Å; L233-E245 HydrophobicContact CD2-CB 3.96Å; L233-E245 HydrophobicContact CG-CB 4.47Å; E245-I247 HydrophobicContact CG-CG1 4.25Å
246	Q	98.5	Very high	95.1	Very high	131 Å²	131	54.9 Å²	54.9	61%	0.612	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	176.1	-73	-179.3	-13.9	0	0	109.5	I228 T230	I228-Q246 HydrophobicContact CG2-CB 3.76Å; I228-Q246 HydrophobicContact CG2-CG 3.89Å; T230-Q246 HydrophobicContact CG2-CG 4.34Å
247	I	98.4	Very high	95.7	Very high	7 Å²	7	50 Å²	50	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.6	178.7	-53	179.6	0	0	0	108	L98 I135 A229 F231 E245	L98-I247 HydrophobicContact CD2-CB 4.19Å; L98-I247 HydrophobicContact CD2-CG2 4.04Å; I135-I247 HydrophobicContact CD1-CG2 3.91Å; A229-I247 PolarHBondContact N-O 2.87Å; A229-I247 PolarHBondContact O-N 2.87Å; F231-I247 HydrophobicContact CD2-CB 4.48Å; F231-I247 HydrophobicContact CD2-CD1 3.81Å; F231-I247 HydrophobicContact CD2-CG1 4.02Å; F231-I247 HydrophobicContact CE2-CB 4.13Å; F231-I247 HydrophobicContact CE2-CD1 3.7Å; F231-I247 HydrophobicContact CE2-CG1 4.05Å; F231-I247 HydrophobicContact CZ-CD1 4.5Å; E245-I247 HydrophobicContact CG-CG1 4.25Å
248	E	98.4	Very high	96.3	Very high	133 Å²	133	45.1 Å²	45.1	62%	0.621	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	144.8	169.8	-68.4	177.9	-171	0	0	110.5	N96 R227 I228	N96-E248 WeakPolarHBondContact CB-O 3.39Å; N96-E248 PolarHBondContact ND2-O 3.2Å; R227-E248 CarbonylContact O-C 3.24Å; R227-E248 WeakPolarHBondContact O-CA 3.27Å; I228-E248 HydrophobicContact CG1-CG 4.14Å
249	Y	98.5	Very high	96.8	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.027	25%	0.25	C	S	.	.			trans	-131.1	141.6	177.1	65.1	-94.6	0	0	0	112.1	V73 V222 N223 R227 A229 L252	V73-Y249 HydrophobicContact CG2-CE2 3.58Å; V222-Y249 HydrophobicContact CG1-CE1 4.04Å; V222-Y249 WeakPolarHBondContact CG1-OH 3.48Å; N223-Y249 PolarHBondContact O-OH 3.34Å; R227-Y249 HydrophobicContact CB-CD2 4.44Å; R227-Y249 HydrophobicContact CB-CE1 4.38Å; R227-Y249 HydrophobicContact CB-CE2 4.17Å; R227-Y249 WeakPolarHBondContact CB-O 3.43Å; R227-Y249 WeakPolarHBondContact O-CD1 3.47Å; R227-Y249 WeakPolarHBondContact O-CE1 3.4Å; R227-Y249 PolarHBondContact O-N 3.4Å; A229-Y249 HydrophobicContact CB-CD1 3.93Å; A229-Y249 HydrophobicContact CB-CE1 4.3Å; Y249-L252 HydrophobicContact CD1-CB 4.25Å; Y249-L252 HydrophobicContact CD1-CD2 4.16Å; Y249-L252 HydrophobicContact CD2-CB 3.58Å; Y249-L252 HydrophobicContact CE1-CD2 3.97Å; Y249-L252 HydrophobicContact CE2-CB 3.97Å; Y249-L252 HydrophobicContact CE2-CD2 4.48Å; Y249-L252 HydrophobicContact CG-CB 3.75Å; Y249-L252 HydrophobicContact CG-CD2 4.5Å
250	S	98.2	Very high	97	Very high	47 Å²	47	40.2 Å²	40.2	33%	0.329	23%	0.23	S	C	.	.	S	Bend	trans	-100.5	-24.5	163.6	-63.5	0	0	0	0	111.2	G94 N96	G94-S250 WeakPolarHBondContact O-CB 3.13Å; G94-S250 PolarHBondContact O-OG 2.85Å; G94-S250 VanDerWaalsContact O-OG 3.12Å; N96-S250 PolarHBondContact O-N 3.11Å
251	L	98.5	Very high	97.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.5	166.8	170.2	59.3	0	0	0	109.1	G72 E88 F92 N96 A97 L98 Y99 T119	G72-L251 CarbonylContact O-C 3.57Å; G72-L251 VanDerWaalsContact O-CA 3.31Å; G72-L251 WeakPolarHBondContact O-CA 3.26Å; E88-L251 HydrophobicContact CB-CD1 3.53Å; E88-L251 HydrophobicContact CG-CD1 4.23Å; F92-L251 HydrophobicContact CD2-CB 3.71Å; F92-L251 HydrophobicContact CD2-CD2 4.46Å; F92-L251 HydrophobicContact CE2-CB 3.96Å; N96-L251 PolarHBondContact O-N 3.01Å; A97-L251 CarbonylContact C-O 3.5Å; A97-L251 HydrophobicContact CB-CB 4.38Å; A97-L251 HydrophobicContact CB-CD2 4.45Å; L98-L251 PolarHBondContact N-O 3.01Å; Y99-L251 WeakPolarHBondContact OH-CD2 3.38Å; T119-L251 HydrophobicContact CG2-CD2 4.11Å
252	L	98.8	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.8	174.3	175.2	61.3	0	0	0	110.2	G72 V73 C74 L98 T100 V222 A229 Y249 I254	G72-L252 PolarHBondContact O-N 3.36Å; V73-L252 CarbonylContact C-O 3.53Å; V73-L252 WeakPolarHBondContact CA-O 3.1Å; V73-L252 HydrophobicContact CG1-CB 4.45Å; V73-L252 HydrophobicContact CG1-CD2 4.2Å; V73-L252 HydrophobicContact CG1-CG 4.37Å; V73-L252 HydrophobicContact CG2-CB 4.3Å; V73-L252 HydrophobicContact CG2-CD2 4.46Å; C74-L252 PolarHBondContact N-O 3.25Å; L98-L252 HydrophobicContact CB-CD1 4.27Å; L98-L252 HydrophobicContact CD2-CD1 3.9Å; L98-L252 HydrophobicContact CG-CD1 3.88Å; L98-L252 CarbonylContact O-C 3.53Å; L98-L252 WeakPolarHBondContact O-CA 3.48Å; T100-L252 HydrophobicContact CG2-CD1 3.86Å; V222-L252 HydrophobicContact CB-CD2 4.42Å; V222-L252 HydrophobicContact CG1-CD2 3.73Å; V222-L252 HydrophobicContact CG2-CD2 3.73Å; A229-L252 HydrophobicContact CB-CD2 4.46Å; Y249-L252 HydrophobicContact CD1-CB 4.25Å; Y249-L252 HydrophobicContact CD1-CD2 4.16Å; Y249-L252 HydrophobicContact CD2-CB 3.58Å; Y249-L252 HydrophobicContact CE1-CD2 3.97Å; Y249-L252 HydrophobicContact CE2-CB 3.97Å; Y249-L252 HydrophobicContact CE2-CD2 4.48Å; Y249-L252 HydrophobicContact CG-CB 3.75Å; Y249-L252 HydrophobicContact CG-CD2 4.5Å; L252-I254 HydrophobicContact CD1-CG1 4.44Å; L252-I254 HydrophobicContact CD2-CD1 4.23Å; L252-I254 HydrophobicContact CD2-CG1 4.03Å; L252-I254 HydrophobicContact CG-CG1 3.91Å
253	H	98.7	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.9	167.8	175.5	-72.4	0	0	0	110.1	C74 N76 L98 Y99 T100	C74-H253 CarbonylContact O-C 3.58Å; C74-H253 WeakPolarHBondContact O-CA 3.31Å; N76-H253 PolarHBondContact N-NE2 3.31Å; N76-H253 PolarHBondContact ND2-NE2 3.43Å; N76-H253 VanDerWaalsContact ND2-NE2 3.11Å; L98-H253 PolarHBondContact O-N 2.68Å; Y99-H253 HydrophobicContact CD1-CB 3.38Å; Y99-H253 AromaticContact CD1-CG 3.71Å; Y99-H253 HydrophobicContact CE1-CB 3.52Å; Y99-H253 AromaticContact CE1-CG 3.95Å; Y99-H253 HydrophobicContact CG-CB 4.14Å; T100-H253 PolarHBondContact N-O 3.25Å; T100-H253 PolarHBondContact OG1-O 3.19Å
254	I	98.6	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.			trans	-85.9	118.2	-178.2	-57.2	179.2	0	0	0	110.6	Y58 I61 A64 L68 V73 C74 S75 T100 L219 V222 L252 P256	Y58-I254 HydrophobicContact CD1-CG2 4.18Å; Y58-I254 HydrophobicContact CE1-CG2 4.14Å; I61-I254 HydrophobicContact CD1-CG2 3.81Å; A64-I254 HydrophobicContact CB-CD1 4.07Å; L68-I254 HydrophobicContact CD2-CD1 4.49Å; L68-I254 HydrophobicContact CG-CD1 4.44Å; V73-I254 HydrophobicContact CG1-CD1 3.78Å; V73-I254 HydrophobicContact CG1-CG1 4.23Å; C74-I254 PolarHBondContact O-N 3.26Å; S75-I254 WeakPolarHBondContact CB-O 3.49Å; S75-I254 PolarHBondContact OG-O 3.4Å; T100-I254 WeakPolarHBondContact OG1-CA 3.42Å; L219-I254 HydrophobicContact CD2-CG1 4.18Å; L219-I254 HydrophobicContact CD2-CG2 4.26Å; V222-I254 HydrophobicContact CG2-CD1 4.14Å; L252-I254 HydrophobicContact CD1-CG1 4.44Å; L252-I254 HydrophobicContact CD2-CD1 4.23Å; L252-I254 HydrophobicContact CD2-CG1 4.03Å; L252-I254 HydrophobicContact CG-CG1 3.91Å; I254-P256 VanDerWaalsContact O-CD 3.29Å; I254-P256 WeakPolarHBondContact O-CD 3.19Å
255	G	97.5	Very high	97.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	15%	0.145	C	C	.	.			trans	-85	101.9	159.5	0	0	0	0	0	109.6	T100 P102	T100-G255 WeakPolarHBondContact O-CA 3.41Å; T100-G255 PolarHBondContact O-N 2.66Å; T100-G255 PolarHBondContact OG1-N 3.18Å; P102-G255 WeakPolarHBondContact CD-O 3.11Å
256	P	96.7	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.			trans	-71.9	144.3	-171.5	28	-35.1	0	0	0	112.2	L56 Y58 Y77 P102 I254	L56-P256 HydrophobicContact CB-CG 4.43Å; L56-P256 HydrophobicContact CD2-CG 3.99Å; Y58-P256 HydrophobicContact CD1-CB 3.69Å; Y58-P256 HydrophobicContact CD1-CG 4.47Å; Y58-P256 HydrophobicContact CD2-CB 4.42Å; Y58-P256 HydrophobicContact CE1-CB 3.49Å; Y58-P256 VanDerWaalsContact CE1-CB 3.49Å; Y58-P256 HydrophobicContact CE1-CG 3.79Å; Y58-P256 HydrophobicContact CE2-CB 4.24Å; Y58-P256 HydrophobicContact CE2-CG 4.32Å; Y58-P256 HydrophobicContact CG-CB 4.17Å; Y77-P256 HydrophobicContact CD1-CG 4.31Å; Y77-P256 HydrophobicContact CD2-CG 4.35Å; Y77-P256 HydrophobicContact CG-CG 3.91Å; P102-P256 WeakPolarHBondContact CG-O 3.38Å; I254-P256 VanDerWaalsContact O-CD 3.29Å; I254-P256 WeakPolarHBondContact O-CD 3.19Å
257	P	95.8	Very high	96.8	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.045	14%	0.144	C	C	.	.			trans	-49.8	144.4	160.2	-25.3	34.8	0	0	0	110.4	R57 M60 I61 P102 T104	R57-P257 WeakPolarHBondContact CA-O 3.39Å; R57-P257 HydrophobicContact CB-CB 4.21Å; R57-P257 WeakPolarHBondContact CB-O 3.44Å; R57-P257 PolarHBondContact N-O 2.57Å; M60-P257 HydrophobicContact CB-CB 4.34Å; M60-P257 HydrophobicContact CB-CG 4.17Å; M60-P257 HydrophobicContact CE-CB 4.35Å; M60-P257 HydrophobicContact SD-CB 3.93Å; I61-P257 HydrophobicContact CD1-CG 4.24Å; I61-P257 HydrophobicContact CG1-CG 4.2Å; P102-P257 HydrophobicContact CB-CB 4.28Å; P102-P257 HydrophobicContact CB-CG 3.9Å; T104-P257 HydrophobicContact CG2-CB 3.86Å; T104-P257 VanDerWaalsContact OG1-CA 3.27Å; T104-P257 WeakPolarHBondContact OG1-CA 3.25Å
258	C	93.9	Very high	96.7	Very high	4 Å²	4	29 Å²	29	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.2	175.3	-62.1	0	0	0	0	110.6	V54 Q55 T104 P105	V54-C258 HydrophobicContact CB-CB 4.18Å; V54-C258 HydrophobicContact CG2-CB 4.3Å; Q55-C258 VanDerWaalsContact O-CA 3.27Å; Q55-C258 WeakPolarHBondContact O-CA 3.42Å; T104-C258 PolarHBondContact OG1-N 3.07Å; P105-C258 VanDerWaalsContact O-CB 3.32Å; P105-C258 WeakPolarHBondContact O-CB 3.44Å
259	S	94.8	Very high	96.5	Very high	19 Å²	19	22.7 Å²	22.7	13%	0.133	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	172.9	169.5	69	0	0	0	0	109.2	V54 Q55 R57	V54-S259 CarbonylContact C-O 3.51Å; V54-S259 WeakPolarHBondContact CA-O 3.36Å; V54-S259 WeakPolarHBondContact CB-O 3.35Å; Q55-S259 PolarHBondContact N-O 3.26Å; Q55-S259 PolarHBondContact O-N 3.16Å; Q55-S259 VanDerWaalsContact O-N 3.08Å; R57-S259 WeakPolarHBondContact CG-OG 3.47Å
260	T	95.7	Very high	96.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	13%	0.133	C	C	.	.			trans	-68.3	158.4	162.7	53.6	0	0	0	0	110.6	L264 R265 G274 F275 C297	T260-L264 HydrophobicContact CG2-CD2 4.05Å; T260-R265 PolarHBondContact O-NH1 3.46Å; T260-R265 WeakPolarHBondContact OG1-CB 3.37Å; T260-G274 WeakPolarHBondContact CB-O 3.14Å; T260-G274 WeakPolarHBondContact CG2-O 2.95Å; T260-G274 PolarHBondContact OG1-O 2.87Å; T260-F275 HydrophobicContact CG2-CB 4.45Å; T260-F275 HydrophobicContact CG2-CD1 3.65Å; T260-F275 HydrophobicContact CG2-CE1 3.97Å; T260-F275 HydrophobicContact CG2-CG 4.06Å; T260-C297 HydrophobicContact CG2-CB 4.25Å
261	P	96	Very high	96.3	Very high	23 Å²	23	22.4 Å²	22.4	15%	0.149	13%	0.125	C	C	.	.			trans	-56.6	152	171.8	-28.4	39.2	0	0	0	112.5	M52 A263 L264 R265	M52-P261 HydrophobicContact CB-CG 3.94Å; M52-P261 HydrophobicContact CE-CB 3.99Å; M52-P261 HydrophobicContact CE-CG 4.44Å; M52-P261 WeakPolarHBondContact O-CG 3.13Å; P261-A263 PolarHBondContact O-N 3.33Å; P261-L264 PolarHBondContact O-N 2.86Å; P261-R265 PolarHBondContact O-N 2.74Å
262	E	95.5	Very high	95.9	Very high	113 Å²	113	29.4 Å²	29.4	53%	0.528	16%	0.156	S	C	.	.	H	α-helix	trans	-53.2	-48.7	-172.3	-176.1	148.7	-133.6	0	0	115.3	L264 R265 N266	E262-L264 PolarHBondContact O-N 3.04Å; E262-R265 VanDerWaalsContact CB-CZ 3.46Å; E262-R265 VanDerWaalsContact CB-NH2 3.31Å; E262-R265 VanDerWaalsContact CG-NH2 3.3Å; E262-R265 WeakPolarHBondContact O-CG 3.45Å; E262-R265 PolarHBondContact O-N 3.15Å; E262-R265 IonicContact OE1-CZ 2.76Å; E262-R265 IonicContact OE1-NH2 2.85Å; E262-R265 PolarHBondContact OE1-NH2 2.96Å; E262-R265 IonicContact OE2-NH2 2.96Å; E262-R265 PolarHBondContact OE2-NH2 3.39Å; E262-N266 PolarHBondContact O-N 3.48Å
263	A	95.9	Very high	95.4	Very high	14 Å²	14	31.3 Å²	31.3	12%	0.116	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-33.8	179.9	0	0	0	0	0	112.1	V25 Q26 F28 M52 P261 S267	V25-A263 HydrophobicContact CG1-CB 3.95Å; V25-A263 WeakPolarHBondContact O-CB 3.48Å; Q26-A263 WeakPolarHBondContact O-CB 3.18Å; F28-A263 WeakPolarHBondContact CD2-O 3.45Å; F28-A263 HydrophobicContact CE2-CB 4.15Å; M52-A263 HydrophobicContact CE-CB 4.49Å; P261-A263 PolarHBondContact O-N 3.33Å; A263-S267 WeakPolarHBondContact O-CB 3.32Å
264	L	96.8	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-79.8	-47.5	178.8	-177.1	58.8	0	0	0	111.7	F28 I50 M52 T260 P261 E262 N266 S267 F269 V270 M276 C297	F28-L264 HydrophobicContact CE2-CB 4.28Å; F28-L264 HydrophobicContact CE2-CD1 4.33Å; I50-L264 HydrophobicContact CD1-CD1 4.05Å; I50-L264 HydrophobicContact CG2-CD1 4.1Å; I50-L264 HydrophobicContact CG2-CD2 3.91Å; M52-L264 HydrophobicContact SD-CB 4.03Å; T260-L264 HydrophobicContact CG2-CD2 4.05Å; P261-L264 PolarHBondContact O-N 2.86Å; E262-L264 PolarHBondContact O-N 3.04Å; L264-N266 PolarHBondContact O-N 3.37Å; L264-N266 VanDerWaalsContact O-N 3.15Å; L264-S267 VanDerWaalsContact O-CB 3.31Å; L264-S267 WeakPolarHBondContact O-CB 3.18Å; L264-S267 PolarHBondContact O-N 3.32Å; L264-S267 PolarHBondContact O-OG 3.04Å; L264-F269 HydrophobicContact CD1-CB 4.09Å; L264-F269 HydrophobicContact CD1-CD2 4.43Å; L264-V270 HydrophobicContact CD1-CG1 4.09Å; L264-V270 HydrophobicContact CG-CG1 3.96Å; L264-V270 WeakPolarHBondContact O-CG1 3.25Å; L264-M276 HydrophobicContact CD2-CB 4.44Å; L264-C297 HydrophobicContact CD2-CB 3.63Å
265	R	95.1	Very high	95	Very high	57 Å²	57	32.4 Å²	32.4	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-26.1	-176.7	82.5	-170.4	165.5	-127.9	1.5	113.5	T260 P261 E262	T260-R265 PolarHBondContact O-NH1 3.46Å; T260-R265 WeakPolarHBondContact OG1-CB 3.37Å; P261-R265 PolarHBondContact O-N 2.74Å; E262-R265 VanDerWaalsContact CB-CZ 3.46Å; E262-R265 VanDerWaalsContact CB-NH2 3.31Å; E262-R265 VanDerWaalsContact CG-NH2 3.3Å; E262-R265 WeakPolarHBondContact O-CG 3.45Å; E262-R265 PolarHBondContact O-N 3.15Å; E262-R265 IonicContact OE1-CZ 2.76Å; E262-R265 IonicContact OE1-NH2 2.85Å; E262-R265 PolarHBondContact OE1-NH2 2.96Å; E262-R265 IonicContact OE2-NH2 2.96Å; E262-R265 PolarHBondContact OE2-NH2 3.39Å
266	N	95.3	Very high	94.9	Very high	120 Å²	120	32.3 Å²	32.3	64%	0.642	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	10.7	177.9	-64.1	-18.6	0	0	0	113	E262 L264	E262-N266 PolarHBondContact O-N 3.48Å; L264-N266 PolarHBondContact O-N 3.37Å; L264-N266 VanDerWaalsContact O-N 3.15Å
267	S	95.8	Very high	94.9	Very high	18 Å²	18	33.4 Å²	33.4	13%	0.126	18%	0.182	C	C	.	.	S	Bend	trans	-97.2	170.8	-178.2	76.4	0	0	0	0	112.9	A263 L264 F269 V270	A263-S267 WeakPolarHBondContact O-CB 3.32Å; L264-S267 VanDerWaalsContact O-CB 3.31Å; L264-S267 WeakPolarHBondContact O-CB 3.18Å; L264-S267 PolarHBondContact O-N 3.32Å; L264-S267 PolarHBondContact O-OG 3.04Å; S267-F269 PolarHBondContact O-N 3.4Å; S267-F269 PolarHBondContact OG-N 2.96Å; S267-V270 WeakPolarHBondContact O-CG2 3.5Å
268	A	95.7	Very high	95	Very high	43 Å²	43	33.1 Å²	33.1	36%	0.355	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.7	173.8	0	0	0	0	0	114	P30 V270 K287 Y288	P30-A268 HydrophobicContact CG-CB 4.07Å; A268-V270 VanDerWaalsContact C-N 3.31Å; A268-V270 PolarHBondContact O-N 3.12Å; A268-K287 PolarHBondContact O-NZ 2.91Å; A268-Y288 HydrophobicContact CB-CE2 4.22Å; A268-Y288 VanDerWaalsContact CB-OH 3.26Å; A268-Y288 WeakPolarHBondContact CB-OH 3.46Å
269	F	95.9	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.1	-176.4	-60.7	-56.9	0	0	0	114.1	F28 P30 M48 I50 L264 S267 M276 D277 Y288 V291	F28-F269 HydrophobicContact CB-CD2 4.15Å; F28-F269 HydrophobicContact CB-CE2 3.56Å; F28-F269 HydrophobicContact CD1-CD2 4.27Å; F28-F269 AromaticContact CD1-CE2 3.62Å; F28-F269 HydrophobicContact CD1-CE2 3.62Å; F28-F269 HydrophobicContact CD2-CD2 4.32Å; F28-F269 HydrophobicContact CD2-CE2 4.36Å; F28-F269 HydrophobicContact CE1-CE2 4.38Å; F28-F269 HydrophobicContact CG-CD2 4.01Å; F28-F269 AromaticContact CG-CE2 3.6Å; F28-F269 HydrophobicContact CG-CE2 3.6Å; P30-F269 HydrophobicContact CB-CE1 3.87Å; P30-F269 HydrophobicContact CB-CZ 3.67Å; P30-F269 HydrophobicContact CG-CE1 4.46Å; P30-F269 HydrophobicContact CG-CZ 4.22Å; M48-F269 HydrophobicContact CE-CD2 4.5Å; M48-F269 HydrophobicContact CE-CE1 4.22Å; M48-F269 HydrophobicContact CE-CE2 3.52Å; M48-F269 HydrophobicContact CE-CZ 3.35Å; I50-F269 HydrophobicContact CD1-CB 4.33Å; I50-F269 HydrophobicContact CD1-CD2 3.61Å; I50-F269 HydrophobicContact CD1-CE2 3.98Å; I50-F269 HydrophobicContact CD1-CG 3.94Å; L264-F269 HydrophobicContact CD1-CB 4.09Å; L264-F269 HydrophobicContact CD1-CD2 4.43Å; S267-F269 PolarHBondContact O-N 3.4Å; S267-F269 PolarHBondContact OG-N 2.96Å; F269-M276 HydrophobicContact CB-CG 4.36Å; F269-M276 CarbonylContact O-C 3.58Å; F269-M276 WeakPolarHBondContact O-CA 3.48Å; F269-D277 PolarHBondContact O-N 3.23Å; F269-Y288 AromaticContact CD1-CD2 3.38Å; F269-Y288 HydrophobicContact CD1-CD2 3.38Å; F269-Y288 AromaticContact CD1-CE2 3.63Å; F269-Y288 HydrophobicContact CD1-CE2 3.63Å; F269-Y288 HydrophobicContact CD1-CG 4.25Å; F269-Y288 AromaticContact CE1-CD2 3.35Å; F269-Y288 HydrophobicContact CE1-CD2 3.35Å; F269-Y288 AromaticContact CE1-CE2 3.7Å; F269-Y288 HydrophobicContact CE1-CE2 3.7Å; F269-Y288 AromaticContact CE1-CG 3.79Å; F269-Y288 HydrophobicContact CE1-CG 3.79Å; F269-V291 HydrophobicContact CD1-CG1 4.26Å; F269-V291 HydrophobicContact CE1-CB 4.33Å; F269-V291 HydrophobicContact CE1-CG1 4.04Å; F269-V291 HydrophobicContact CE1-CG2 3.91Å; F269-V291 HydrophobicContact CZ-CG1 4.47Å; F269-V291 HydrophobicContact CZ-CG2 4.29Å
270	V	96.6	Very high	94.9	Very high	18 Å²	18	36.8 Å²	36.8	11%	0.109	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-99.1	155.9	-173.5	-58.8	0	0	0	0	112.7	L264 S267 A268 G274 F275	L264-V270 HydrophobicContact CD1-CG1 4.09Å; L264-V270 HydrophobicContact CG-CG1 3.96Å; L264-V270 WeakPolarHBondContact O-CG1 3.25Å; S267-V270 WeakPolarHBondContact O-CG2 3.5Å; A268-V270 VanDerWaalsContact C-N 3.31Å; A268-V270 PolarHBondContact O-N 3.12Å; V270-G274 VanDerWaalsContact CG1-O 3.29Å; V270-G274 WeakPolarHBondContact CG1-O 3.33Å; V270-F275 CarbonylContact C-O 3.54Å; V270-F275 WeakPolarHBondContact CA-O 3.47Å; V270-F275 WeakPolarHBondContact CB-O 3.48Å
271	D	94.3	Very high	94.8	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.16	21%	0.21	C	C	.	.			trans	-79.5	-176.6	164.7	67.2	20	0	0	0	110.5	T273 G274 F275 D277 N299	D271-T273 PolarHBondContact O-N 2.95Å; D271-T273 WeakPolarHBondContact OD1-CA 3.4Å; D271-T273 VanDerWaalsContact OD1-CB 3.23Å; D271-T273 WeakPolarHBondContact OD1-CB 3.13Å; D271-T273 PolarHBondContact OD1-N 2.77Å; D271-T273 PolarHBondContact OD1-OG1 3.48Å; D271-T273 PolarHBondContact OD2-OG1 3.31Å; D271-G274 PolarHBondContact O-N 2.8Å; D271-G274 VanDerWaalsContact O-N 3.08Å; D271-G274 PolarHBondContact OD1-N 3.07Å; D271-F275 PolarHBondContact N-O 3.05Å; D271-F275 PolarHBondContact OD1-N 2.93Å; D271-D277 HydrophobicContact CB-CB 4.07Å; D271-N299 WeakPolarHBondContact OD2-CB 3.32Å; D271-N299 PolarHBondContact OD2-ND2 3.23Å
272	K	91.6	Very high	94.8	Very high	148 Å²	148	36.3 Å²	36.3	64%	0.643	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-2.8	-178.5	76.4	175	-172.7	-167.7	0	115.2	I181	I181-K272 HydrophobicContact CB-CD 4.32Å; I181-K272 VanDerWaalsContact CB-NZ 3.27Å; I181-K272 HydrophobicContact CD1-CD 3.34Å; I181-K272 HydrophobicContact CD1-CG 3.83Å; I181-K272 HydrophobicContact CG1-CD 4.29Å; I181-K272 HydrophobicContact CG2-CD 4.19Å; I181-K272 HydrophobicContact CG2-CG 4.16Å
273	T	88.2	Confident	94.9	Very high	40 Å²	40	31 Å²	31	25%	0.245	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.9	-174.4	81.8	0	0	0	0	111.2	I181 Y185 D271 F275	I181-T273 HydrophobicContact CG2-CG2 4.15Å; Y185-T273 HydrophobicContact CE2-CG2 3.47Å; Y185-T273 VanDerWaalsContact CE2-CG2 3.47Å; Y185-T273 WeakPolarHBondContact OH-CB 3.21Å; Y185-T273 WeakPolarHBondContact OH-CG2 3.48Å; Y185-T273 PolarHBondContact OH-OG1 3.46Å; D271-T273 PolarHBondContact O-N 2.95Å; D271-T273 WeakPolarHBondContact OD1-CA 3.4Å; D271-T273 VanDerWaalsContact OD1-CB 3.23Å; D271-T273 WeakPolarHBondContact OD1-CB 3.13Å; D271-T273 PolarHBondContact OD1-N 2.77Å; D271-T273 PolarHBondContact OD1-OG1 3.48Å; D271-T273 PolarHBondContact OD2-OG1 3.31Å; T273-F275 VanDerWaalsContact C-N 3.3Å
274	G	92.8	Very high	94.9	Very high	15 Å²	15	31.9 Å²	31.9	16%	0.155	18%	0.181	C	C	.	.	S	Bend	trans	82.4	3.5	178.4	0	0	0	0	0	113.5	T260 V270 D271	T260-G274 WeakPolarHBondContact CB-O 3.14Å; T260-G274 WeakPolarHBondContact CG2-O 2.95Å; T260-G274 PolarHBondContact OG1-O 2.87Å; V270-G274 VanDerWaalsContact CG1-O 3.29Å; V270-G274 WeakPolarHBondContact CG1-O 3.33Å; D271-G274 PolarHBondContact O-N 2.8Å; D271-G274 VanDerWaalsContact O-N 3.08Å; D271-G274 PolarHBondContact OD1-N 3.07Å
275	F	95.1	Very high	95	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.035	18%	0.183	C	C	.	.	S	Bend	trans	-93.8	147	174.3	-73.4	-92.7	0	0	0	110.6	V54 P105 T260 V270 D271 T273 D277 N299 K304	V54-F275 HydrophobicContact CG1-CE1 3.96Å; P105-F275 HydrophobicContact CB-CE1 4.47Å; P105-F275 HydrophobicContact CB-CE2 4.16Å; P105-F275 HydrophobicContact CB-CZ 3.75Å; P105-F275 HydrophobicContact CG-CE2 3.73Å; P105-F275 HydrophobicContact CG-CZ 3.87Å; T260-F275 HydrophobicContact CG2-CB 4.45Å; T260-F275 HydrophobicContact CG2-CD1 3.65Å; T260-F275 HydrophobicContact CG2-CE1 3.97Å; T260-F275 HydrophobicContact CG2-CG 4.06Å; V270-F275 CarbonylContact C-O 3.54Å; V270-F275 WeakPolarHBondContact CA-O 3.47Å; V270-F275 WeakPolarHBondContact CB-O 3.48Å; D271-F275 PolarHBondContact N-O 3.05Å; D271-F275 PolarHBondContact OD1-N 2.93Å; T273-F275 VanDerWaalsContact C-N 3.3Å; F275-D277 PolarHBondContact O-N 2.85Å; F275-N299 HydrophobicContact CB-CB 3.93Å; F275-K304 HydrophobicContact CE1-CD 4.41Å
276	M	96.4	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-58.8	125.1	-178.5	-175	-176.2	178.3	0	0	110.4	I50 L264 F269 V278 V291 F292 G293 C297 N299	I50-M276 HydrophobicContact CB-CE 4.19Å; I50-M276 HydrophobicContact CB-SD 3.7Å; I50-M276 HydrophobicContact CD1-CE 3.83Å; I50-M276 HydrophobicContact CD1-SD 3.95Å; I50-M276 HydrophobicContact CG1-CE 4.14Å; I50-M276 HydrophobicContact CG1-SD 4.22Å; I50-M276 HydrophobicContact CG2-SD 4.12Å; L264-M276 HydrophobicContact CD2-CB 4.44Å; F269-M276 HydrophobicContact CB-CG 4.36Å; F269-M276 CarbonylContact O-C 3.58Å; F269-M276 WeakPolarHBondContact O-CA 3.48Å; M276-V278 HydrophobicContact CE-CG1 3.97Å; M276-V278 HydrophobicContact CG-CG1 3.91Å; M276-V278 PolarHBondContact O-N 2.75Å; M276-V278 HydrophobicContact SD-CG1 4.02Å; M276-V291 HydrophobicContact CE-CG1 3.64Å; M276-F292 WeakPolarHBondContact CE-O 3.45Å; M276-G293 WeakPolarHBondContact SD-CA 3.32Å; M276-C297 WeakPolarHBondContact CB-O 3.37Å; M276-C297 PolarHBondContact N-O 3.45Å; M276-N299 PolarHBondContact O-N 2.92Å; M276-N299 PolarHBondContact O-OD1 3.44Å
277	D	96.9	Very high	95	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	19%	0.191	C	C	.	.			trans	-84.6	100.8	-176.4	-169.6	24	0	0	0	110.8	F269 D271 F275 S285 K286 N299	F269-D277 PolarHBondContact O-N 3.23Å; D271-D277 HydrophobicContact CB-CB 4.07Å; F275-D277 PolarHBondContact O-N 2.85Å; D277-S285 WeakPolarHBondContact O-CA 3.25Å; D277-K286 PolarHBondContact O-N 2.98Å; D277-K286 IonicContact OD1-NZ 2.76Å; D277-K286 PolarHBondContact OD1-NZ 2.81Å; D277-N299 PolarHBondContact OD1-ND2 3.13Å
278	V	96.1	Very high	95.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-119.7	155.1	-178.2	-60.1	0	0	0	0	111	M276 G280 Q284 K286 M298 N299 T300	M276-V278 HydrophobicContact CE-CG1 3.97Å; M276-V278 HydrophobicContact CG-CG1 3.91Å; M276-V278 PolarHBondContact O-N 2.75Å; M276-V278 HydrophobicContact SD-CG1 4.02Å; V278-G280 PolarHBondContact O-N 3.49Å; V278-Q284 CarbonylContact C-O 3.55Å; V278-Q284 VanDerWaalsContact CA-O 3.25Å; V278-Q284 WeakPolarHBondContact CA-O 3.13Å; V278-Q284 WeakPolarHBondContact CB-O 3.06Å; V278-K286 WeakPolarHBondContact O-CE 3.3Å; V278-K286 PolarHBondContact O-NZ 2.8Å; V278-M298 HydrophobicContact CG1-CG 4.3Å; V278-M298 HydrophobicContact CG1-SD 4.24Å; V278-M298 HydrophobicContact CG2-CB 3.97Å; V278-M298 HydrophobicContact CG2-CG 4.17Å; V278-M298 HydrophobicContact CG2-SD 3.86Å; V278-N299 PolarHBondContact N-OD1 3.41Å; V278-T300 HydrophobicContact CG2-CG2 3.63Å
279	D	95.5	Very high	95.1	Very high	67 Å²	67	38.9 Å²	38.9	36%	0.358	21%	0.206	S	C	.	.			trans	-64.9	127.8	161	-179.4	-99.8	0	0	0	109.5	G281 S282 L283 Q284	D279-G281 PolarHBondContact O-N 2.94Å; D279-G281 WeakPolarHBondContact OD1-CA 3.07Å; D279-G281 PolarHBondContact OD1-N 2.83Å; D279-S282 WeakPolarHBondContact CB-OG 3.4Å; D279-S282 PolarHBondContact OD1-N 3.37Å; D279-S282 PolarHBondContact OD1-OG 3.39Å; D279-L283 VanDerWaalsContact O-CA 3.31Å; D279-L283 WeakPolarHBondContact O-CA 3.41Å; D279-L283 PolarHBondContact O-N 2.85Å; D279-Q284 PolarHBondContact N-O 2.99Å
280	G	91.6	Very high	95.1	Very high	32 Å²	32	40 Å²	40	33%	0.33	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.5	-173.4	0	0	0	0	0	114	V278 Y333	V278-G280 PolarHBondContact O-N 3.49Å; G280-Y333 WeakPolarHBondContact O-CD1 3.45Å
281	G	93.8	Very high	95.2	Very high	10 Å²	10	39.1 Å²	39.1	10%	0.103	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-55.1	177.7	0	0	0	0	0	112.1	D279 T315 Q332 Y333	D279-G281 PolarHBondContact O-N 2.94Å; D279-G281 WeakPolarHBondContact OD1-CA 3.07Å; D279-G281 PolarHBondContact OD1-N 2.83Å; G281-T315 WeakPolarHBondContact O-CG2 3.3Å; G281-Q332 VanDerWaalsContact CA-OE1 3.23Å; G281-Y333 VanDerWaalsContact O-CB 3.26Å; G281-Y333 WeakPolarHBondContact O-CB 3.3Å; G281-Y333 PolarHBondContact O-N 2.84Å
282	S	95.9	Very high	95.4	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-20.9	-174.7	76.7	0	0	0	0	114.2	D279 Q284 N319	D279-S282 WeakPolarHBondContact CB-OG 3.4Å; D279-S282 PolarHBondContact OD1-N 3.37Å; D279-S282 PolarHBondContact OD1-OG 3.39Å; S282-Q284 PolarHBondContact O-N 3.07Å; S282-Q284 VanDerWaalsContact OG-CB 3.28Å; S282-Q284 WeakPolarHBondContact OG-CB 3.37Å; S282-Q284 PolarHBondContact OG-N 3.42Å; S282-N319 VanDerWaalsContact CA-ND2 3.35Å; S282-N319 WeakPolarHBondContact CA-ND2 3Å; S282-N319 PolarHBondContact O-ND2 3.42Å
283	L	96.8	Very high	95.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.			trans	64.2	10	-171.1	-49.1	-179.2	0	0	0	114.6	D279 F292 G293 M298 T300 H312 T315 I316 Y333	D279-L283 VanDerWaalsContact O-CA 3.31Å; D279-L283 WeakPolarHBondContact O-CA 3.41Å; D279-L283 PolarHBondContact O-N 2.85Å; L283-F292 WeakPolarHBondContact O-CA 3.5Å; L283-G293 PolarHBondContact O-N 2.81Å; L283-M298 HydrophobicContact CD2-CE 4.1Å; L283-M298 HydrophobicContact CD2-SD 4.18Å; L283-T300 HydrophobicContact CD2-CG2 3.84Å; L283-H312 HydrophobicContact CD1-CB 3.65Å; L283-T315 HydrophobicContact CD1-CG2 4.05Å; L283-T315 HydrophobicContact CG-CG2 4.02Å; L283-I316 HydrophobicContact CB-CD1 3.86Å; L283-I316 HydrophobicContact CB-CG1 4.01Å; L283-I316 HydrophobicContact CD1-CD1 3.96Å; L283-I316 HydrophobicContact CD1-CG1 4.12Å; L283-Y333 HydrophobicContact CD2-CD1 3.94Å; L283-Y333 HydrophobicContact CD2-CG 4.39Å
284	Q	97.5	Very high	96	Very high	34 Å²	34	29.3 Å²	29.3	16%	0.159	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-76.1	146.1	172.3	-167	179.4	28.7	0	0	110	V278 D279 S282 K286 P289 F292	V278-Q284 CarbonylContact C-O 3.55Å; V278-Q284 VanDerWaalsContact CA-O 3.25Å; V278-Q284 WeakPolarHBondContact CA-O 3.13Å; V278-Q284 WeakPolarHBondContact CB-O 3.06Å; D279-Q284 PolarHBondContact N-O 2.99Å; S282-Q284 PolarHBondContact O-N 3.07Å; S282-Q284 VanDerWaalsContact OG-CB 3.28Å; S282-Q284 WeakPolarHBondContact OG-CB 3.37Å; S282-Q284 PolarHBondContact OG-N 3.42Å; Q284-K286 PolarHBondContact O-N 2.99Å; Q284-P289 PolarHBondContact NE2-O 3.14Å; Q284-F292 HydrophobicContact CB-CD1 3.92Å; Q284-F292 HydrophobicContact CB-CE1 3.64Å; Q284-F292 HydrophobicContact CB-CZ 4.24Å; Q284-F292 HydrophobicContact CG-CD1 4.31Å; Q284-F292 HydrophobicContact CG-CE1 3.88Å; Q284-F292 HydrophobicContact CG-CE2 4.43Å; Q284-F292 HydrophobicContact CG-CZ 3.95Å
285	S	97.2	Very high	96.1	Very high	6 Å²	6	29 Å²	29	4%	0.042	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-59.3	136.7	170.6	178.2	0	0	0	0	110.1	D277 K287 Y288 V291	D277-S285 WeakPolarHBondContact O-CA 3.25Å; S285-K287 PolarHBondContact O-N 3.44Å; S285-K287 PolarHBondContact OG-N 2.86Å; S285-Y288 WeakPolarHBondContact CB-O 3.42Å; S285-Y288 PolarHBondContact OG-N 2.9Å; S285-V291 WeakPolarHBondContact CB-O 3.34Å; S285-V291 PolarHBondContact N-O 2.95Å
286	K	96.3	Very high	96	Very high	116 Å²	116	29.9 Å²	29.9	50%	0.504	16%	0.162	S	C	.	.	S	Bend	trans	-67.6	-20.7	176.3	-65.1	-170.8	-174.2	130.7	0	113.4	D277 V278 Q284	D277-K286 PolarHBondContact O-N 2.98Å; D277-K286 IonicContact OD1-NZ 2.76Å; D277-K286 PolarHBondContact OD1-NZ 2.81Å; V278-K286 WeakPolarHBondContact O-CE 3.3Å; V278-K286 PolarHBondContact O-NZ 2.8Å; Q284-K286 PolarHBondContact O-N 2.99Å
287	K	96.1	Very high	96	Very high	118 Å²	118	29.9 Å²	29.9	51%	0.513	16%	0.162	S	C	.	.	S	Bend	trans	-105.7	-31.1	-174.9	-64.1	178.8	-173.5	170.1	0	113	A268 S285	A268-K287 PolarHBondContact O-NZ 2.91Å; S285-K287 PolarHBondContact O-N 3.44Å; S285-K287 PolarHBondContact OG-N 2.86Å
288	Y	96.9	Very high	95.8	Very high	55 Å²	55	28.8 Å²	28.8	22%	0.216	16%	0.156	C	C	.	.			trans	-124.9	106.1	-171	-59	-79.5	0	0	0	110.7	P30 A268 F269 S285 N290 V291	P30-Y288 HydrophobicContact CB-CD1 4Å; P30-Y288 HydrophobicContact CB-CE1 3.52Å; P30-Y288 HydrophobicContact CB-CE2 4.26Å; P30-Y288 HydrophobicContact CG-CE1 4.1Å; P30-Y288 HydrophobicContact CG-CE2 4.42Å; P30-Y288 WeakPolarHBondContact CG-OH 3.5Å; A268-Y288 HydrophobicContact CB-CE2 4.22Å; A268-Y288 VanDerWaalsContact CB-OH 3.26Å; A268-Y288 WeakPolarHBondContact CB-OH 3.46Å; F269-Y288 AromaticContact CD1-CD2 3.38Å; F269-Y288 HydrophobicContact CD1-CD2 3.38Å; F269-Y288 AromaticContact CD1-CE2 3.63Å; F269-Y288 HydrophobicContact CD1-CE2 3.63Å; F269-Y288 HydrophobicContact CD1-CG 4.25Å; F269-Y288 AromaticContact CE1-CD2 3.35Å; F269-Y288 HydrophobicContact CE1-CD2 3.35Å; F269-Y288 AromaticContact CE1-CE2 3.7Å; F269-Y288 HydrophobicContact CE1-CE2 3.7Å; F269-Y288 AromaticContact CE1-CG 3.79Å; F269-Y288 HydrophobicContact CE1-CG 3.79Å; S285-Y288 WeakPolarHBondContact CB-O 3.42Å; S285-Y288 PolarHBondContact OG-N 2.9Å; Y288-N290 PolarHBondContact O-N 3.48Å; Y288-V291 PolarHBondContact O-N 2.78Å
289	P	95.8	Very high	95.6	Very high	89 Å²	89	29.6 Å²	29.6	58%	0.578	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.5	-170.9	26.3	-34.7	0	0	0	113.8	Q284	Q284-P289 PolarHBondContact NE2-O 3.14Å
290	N	96.8	Very high	95	Very high	24 Å²	24	26.5 Å²	26.5	13%	0.128	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.5	176.6	65	-30.6	0	0	0	113.9	N33 D46 Y47 M48 Y288	N33-N290 PolarHBondContact OD1-ND2 2.67Å; D46-N290 VanDerWaalsContact O-CB 3.25Å; D46-N290 WeakPolarHBondContact O-CB 3.49Å; D46-N290 PolarHBondContact O-ND2 3.09Å; Y47-N290 VanDerWaalsContact CA-O 3.32Å; Y47-N290 WeakPolarHBondContact CA-O 3.34Å; Y47-N290 HydrophobicContact CD1-CB 3.8Å; Y47-N290 HydrophobicContact CE1-CB 4.13Å; M48-N290 PolarHBondContact N-O 3.39Å; Y288-N290 PolarHBondContact O-N 3.48Å
291	V	97.9	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.8	-176	-176.3	0	0	0	0	111.2	Y45 M48 I50 F269 M276 S285 Y288	Y45-V291 HydrophobicContact CE2-CG2 4.27Å; M48-V291 HydrophobicContact CB-CG2 4.37Å; M48-V291 HydrophobicContact CE-CG1 3.83Å; M48-V291 HydrophobicContact CE-CG2 3.98Å; M48-V291 CarbonylContact O-C 3.49Å; M48-V291 WeakPolarHBondContact O-CA 3.47Å; I50-V291 HydrophobicContact CD1-CG1 4.06Å; I50-V291 HydrophobicContact CG1-CG1 4.24Å; F269-V291 HydrophobicContact CD1-CG1 4.26Å; F269-V291 HydrophobicContact CE1-CB 4.33Å; F269-V291 HydrophobicContact CE1-CG1 4.04Å; F269-V291 HydrophobicContact CE1-CG2 3.91Å; F269-V291 HydrophobicContact CZ-CG1 4.47Å; F269-V291 HydrophobicContact CZ-CG2 4.29Å; M276-V291 HydrophobicContact CE-CG1 3.64Å; S285-V291 WeakPolarHBondContact CB-O 3.34Å; S285-V291 PolarHBondContact N-O 2.95Å; Y288-V291 PolarHBondContact O-N 2.78Å
292	F	98.2	Very high	92.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.4	179.2	-67.7	-98.2	0	0	0	111.3	M48 V49 I50 M276 L283 Q284 I316 N319 L320 V323	M48-F292 PolarHBondContact O-N 3.04Å; V49-F292 CarbonylContact C-O 3.54Å; V49-F292 WeakPolarHBondContact CA-O 3.5Å; V49-F292 HydrophobicContact CG2-CB 4.4Å; I50-F292 PolarHBondContact N-O 3.33Å; M276-F292 WeakPolarHBondContact CE-O 3.45Å; L283-F292 WeakPolarHBondContact O-CA 3.5Å; Q284-F292 HydrophobicContact CB-CD1 3.92Å; Q284-F292 HydrophobicContact CB-CE1 3.64Å; Q284-F292 HydrophobicContact CB-CZ 4.24Å; Q284-F292 HydrophobicContact CG-CD1 4.31Å; Q284-F292 HydrophobicContact CG-CE1 3.88Å; Q284-F292 HydrophobicContact CG-CE2 4.43Å; Q284-F292 HydrophobicContact CG-CZ 3.95Å; F292-I316 HydrophobicContact CB-CD1 4.13Å; F292-I316 HydrophobicContact CB-CG1 4.43Å; F292-I316 HydrophobicContact CD1-CG1 4.22Å; F292-N319 HydrophobicContact CE1-CB 4.04Å; F292-L320 HydrophobicContact CD2-CD1 3.92Å; F292-L320 HydrophobicContact CE2-CD1 3.72Å; F292-V323 HydrophobicContact CE2-CG1 4.48Å; F292-V323 HydrophobicContact CZ-CB 4.18Å; F292-V323 HydrophobicContact CZ-CG2 3.91Å
293	G	96.5	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.1	177.6	0	0	0	0	0	113	I50 M276 L283 I316	I50-G293 WeakPolarHBondContact O-CA 3.41Å; M276-G293 WeakPolarHBondContact SD-CA 3.32Å; L283-G293 PolarHBondContact O-N 2.81Å; G293-I316 WeakPolarHBondContact O-CD1 3.23Å
294	V	95.3	Very high	91.6	Very high	12 Å²	12	28.4 Å²	28.4	7%	0.073	15%	0.147	C	C	.	.			trans	-134.8	135.4	172.3	-179.2	0	0	0	0	111.1	V49 I50 A51 C297 V309 H312 I316	V49-V294 HydrophobicContact CG1-CB 4.46Å; V49-V294 HydrophobicContact CG1-CG2 3.57Å; I50-V294 PolarHBondContact O-N 3.16Å; A51-V294 HydrophobicContact CB-CB 4.11Å; V294-C297 PolarHBondContact O-SG 3.45Å; V294-C297 VanDerWaalsContact O-SG 3.41Å; V294-V309 HydrophobicContact CG1-CG1 4.11Å; V294-H312 HydrophobicContact CG1-CB 4.2Å; V294-I316 HydrophobicContact CG2-CD1 3.27Å
295	G	94.5	Very high	91.3	Very high	8 Å²	8	27.2 Å²	27.2	8%	0.082	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	78.8	-146.4	166.4	0	0	0	0	0	114	C297 M298 H312	G295-C297 PolarHBondContact O-N 3.34Å; G295-C297 VanDerWaalsContact O-N 3.11Å; G295-M298 PolarHBondContact O-N 3.36Å; G295-H312 PolarHBondContact N-ND1 3.01Å
296	D	94.4	Very high	91.1	Very high	26 Å²	26	29.9 Å²	29.9	14%	0.139	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-68.4	-17.1	-162.4	-58	-15.1	0	0	0	113.7	V54 K107 M298 K304	V54-D296 HydrophobicContact CB-CB 4.38Å; V54-D296 HydrophobicContact CG1-CB 3.7Å; V54-D296 WeakPolarHBondContact CG1-O 3.49Å; V54-D296 HydrophobicContact CG2-CB 4.1Å; K107-D296 WeakPolarHBondContact CB-OD2 3.3Å; D296-M298 VanDerWaalsContact C-N 3.29Å; D296-M298 PolarHBondContact O-N 2.85Å; D296-K304 HydrophobicContact CB-CB 4.19Å; D296-K304 HydrophobicContact CB-CD 4.22Å; D296-K304 HydrophobicContact CB-CG 4.39Å; D296-K304 WeakPolarHBondContact O-CD 3.15Å; D296-K304 WeakPolarHBondContact O-CE 3.2Å; D296-K304 PolarHBondContact O-NZ 3.5Å; D296-K304 WeakPolarHBondContact OD1-CB 3.46Å
297	C	95	Very high	90.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-76.1	-11.9	-176.2	63.4	0	0	0	0	114.5	I50 G53 T260 L264 M276 V294 G295	I50-C297 PolarHBondContact O-SG 3.29Å; G53-C297 WeakPolarHBondContact O-CA 3.32Å; G53-C297 VanDerWaalsContact O-CB 3.27Å; G53-C297 WeakPolarHBondContact O-CB 3.47Å; T260-C297 HydrophobicContact CG2-CB 4.25Å; L264-C297 HydrophobicContact CD2-CB 3.63Å; M276-C297 WeakPolarHBondContact CB-O 3.37Å; M276-C297 PolarHBondContact N-O 3.45Å; V294-C297 PolarHBondContact O-SG 3.45Å; V294-C297 VanDerWaalsContact O-SG 3.41Å; G295-C297 PolarHBondContact O-N 3.34Å; G295-C297 VanDerWaalsContact O-N 3.11Å
298	M	94.4	Very high	90.7	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-86.5	159.6	-175.6	-58.4	-174.8	-64	0	0	113.6	V278 L283 G295 D296 T300 K304 H312	V278-M298 HydrophobicContact CG1-CG 4.3Å; V278-M298 HydrophobicContact CG1-SD 4.24Å; V278-M298 HydrophobicContact CG2-CB 3.97Å; V278-M298 HydrophobicContact CG2-CG 4.17Å; V278-M298 HydrophobicContact CG2-SD 3.86Å; L283-M298 HydrophobicContact CD2-CE 4.1Å; L283-M298 HydrophobicContact CD2-SD 4.18Å; G295-M298 PolarHBondContact O-N 3.36Å; D296-M298 VanDerWaalsContact C-N 3.29Å; D296-M298 PolarHBondContact O-N 2.85Å; M298-T300 VanDerWaalsContact C-N 3.25Å; M298-T300 HydrophobicContact CB-CG2 3.99Å; M298-T300 HydrophobicContact CE-CG2 3.78Å; M298-T300 PolarHBondContact O-N 2.89Å; M298-T300 HydrophobicContact SD-CG2 4.09Å; M298-K304 PolarHBondContact O-NZ 3.16Å; M298-H312 WeakPolarHBondContact CE-CE1 3.49Å
299	N	91.1	Very high	90.6	Very high	18 Å²	18	19 Å²	19	10%	0.096	13%	0.126	C	C	.	.			trans	-86.9	15.4	171.3	71.7	-9	0	0	0	114	D271 F275 M276 D277 V278	D271-N299 WeakPolarHBondContact OD2-CB 3.32Å; D271-N299 PolarHBondContact OD2-ND2 3.23Å; F275-N299 HydrophobicContact CB-CB 3.93Å; M276-N299 PolarHBondContact O-N 2.92Å; M276-N299 PolarHBondContact O-OD1 3.44Å; D277-N299 PolarHBondContact OD1-ND2 3.13Å; V278-N299 PolarHBondContact N-OD1 3.41Å
300	T	83.7	Confident	90.5	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.018	10%	0.099	C	C	.	.			trans	-59	137.8	177.2	56.3	0	0	0	0	110.6	F188 V278 L283 M298 N302	F188-T300 WeakPolarHBondContact CE2-O 3.27Å; V278-T300 HydrophobicContact CG2-CG2 3.63Å; L283-T300 HydrophobicContact CD2-CG2 3.84Å; M298-T300 VanDerWaalsContact C-N 3.25Å; M298-T300 HydrophobicContact CB-CG2 3.99Å; M298-T300 HydrophobicContact CE-CG2 3.78Å; M298-T300 PolarHBondContact O-N 2.89Å; M298-T300 HydrophobicContact SD-CG2 4.09Å; T300-N302 WeakPolarHBondContact CB-OD1 3.26Å; T300-N302 PolarHBondContact O-N 3.47Å; T300-N302 PolarHBondContact OG1-OD1 3.3Å
301	P	67.4	Low	90.3	Very high	60 Å²	60	14 Å²	14	39%	0.39	10%	0.095	S	C	.	.	S	Bend	trans	-72.1	0.9	-166.5	29.6	-37.1	0	0	0	115
302	N	73.6	Confident	90.2	Very high	11 Å²	11	14.2 Å²	14.2	6%	0.059	10%	0.096	C	C	.	.	S	Bend	trans	-92.3	164.9	-174	64.1	-60.8	0	0	0	112.9	F188 T300 K304 A308 Y333	F188-N302 VanDerWaalsContact CZ-O 3.27Å; F188-N302 WeakPolarHBondContact CZ-O 3.47Å; T300-N302 WeakPolarHBondContact CB-OD1 3.26Å; T300-N302 PolarHBondContact O-N 3.47Å; T300-N302 PolarHBondContact OG1-OD1 3.3Å; N302-K304 PolarHBondContact O-N 3.44Å; N302-A308 VanDerWaalsContact ND2-CB 3.27Å; N302-A308 WeakPolarHBondContact ND2-CB 3.49Å; N302-Y333 VanDerWaalsContact CG-OH 3.28Å; N302-Y333 PolarHBondContact ND2-OH 3.46Å
303	A	77.8	Confident	89.9	Confident	5 Å²	5	16.8 Å²	16.8	4%	0.041	11%	0.11	C	C	.	.			trans	-59.5	126.7	173.9	0	0	0	0	0	112	L192 T305 A337 F353	L192-A303 HydrophobicContact CD1-CB 3.31Å; L192-A303 HydrophobicContact CG-CB 4.07Å; A303-T305 HydrophobicContact CB-CG2 3.93Å; A303-T305 PolarHBondContact O-N 2.94Å; A303-T305 PolarHBondContact O-OG1 3.31Å; A303-A337 HydrophobicContact CB-CB 3.82Å; A303-F353 HydrophobicContact CB-CE2 3.67Å; A303-F353 HydrophobicContact CB-CZ 3.67Å
304	K	88.2	Confident	89.7	Confident	11 Å²	11	19.5 Å²	19.5	5%	0.048	12%	0.122	C	C	.	.			trans	-69.5	90.8	175.3	-65.1	179.7	-173.7	-62.1	0	110.6	P105 C108 F275 D296 M298 N302	P105-K304 HydrophobicContact CB-CD 4.47Å; C108-K304 PolarHBondContact N-O 3.32Å; F275-K304 HydrophobicContact CE1-CD 4.41Å; D296-K304 HydrophobicContact CB-CB 4.19Å; D296-K304 HydrophobicContact CB-CD 4.22Å; D296-K304 HydrophobicContact CB-CG 4.39Å; D296-K304 WeakPolarHBondContact O-CD 3.15Å; D296-K304 WeakPolarHBondContact O-CE 3.2Å; D296-K304 PolarHBondContact O-NZ 3.5Å; D296-K304 WeakPolarHBondContact OD1-CB 3.46Å; M298-K304 PolarHBondContact O-NZ 3.16Å; N302-K304 PolarHBondContact O-N 3.44Å
305	T	90.8	Very high	89.6	Confident	10 Å²	10	19 Å²	19	6%	0.061	12%	0.119	C	C	.	.			trans	-141.4	152.9	-172	63.3	0	0	0	0	111.3	A303 A307 A308 V309 S338	A303-T305 HydrophobicContact CB-CG2 3.93Å; A303-T305 PolarHBondContact O-N 2.94Å; A303-T305 PolarHBondContact O-OG1 3.31Å; T305-A307 PolarHBondContact O-N 2.96Å; T305-A308 WeakPolarHBondContact O-CB 3.38Å; T305-A308 PolarHBondContact O-N 2.9Å; T305-A308 PolarHBondContact OG1-N 3.17Å; T305-A308 VanDerWaalsContact OG1-N 3.15Å; T305-V309 PolarHBondContact O-N 3.02Å; T305-S338 WeakPolarHBondContact CG2-O 3.36Å
306	A	92.9	Very high	89.6	Confident	61 Å²	61	19.2 Å²	19.2	50%	0.504	12%	0.118	S	C	.	.	H	α-helix	trans	-61.8	-28.6	173.5	0	0	0	0	0	112.8	V309 S310	A306-V309 WeakPolarHBondContact O-CB 3.43Å; A306-V309 PolarHBondContact O-N 3.04Å; A306-S310 PolarHBondContact O-N 3.26Å; A306-S310 VanDerWaalsContact O-N 3.08Å
307	A	92.3	Very high	89.5	Confident	26 Å²	26	23.5 Å²	23.5	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-42.2	172.5	0	0	0	0	0	111.7	T305 V309 S310 S311 Y336	T305-A307 PolarHBondContact O-N 2.96Å; A307-V309 VanDerWaalsContact C-N 3.35Å; A307-S310 PolarHBondContact O-N 3.49Å; A307-S310 PolarHBondContact O-OG 2.75Å; A307-S311 PolarHBondContact O-N 3.36Å; A307-Y336 HydrophobicContact CB-CE1 4.16Å
308	A	91.8	Very high	89.5	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-41.4	172.4	0	0	0	0	0	112	N302 T305 S310 S311 H312 Y336 A337	N302-A308 VanDerWaalsContact ND2-CB 3.27Å; N302-A308 WeakPolarHBondContact ND2-CB 3.49Å; T305-A308 WeakPolarHBondContact O-CB 3.38Å; T305-A308 PolarHBondContact O-N 2.9Å; T305-A308 PolarHBondContact OG1-N 3.17Å; T305-A308 VanDerWaalsContact OG1-N 3.15Å; A308-S310 VanDerWaalsContact C-N 3.25Å; A308-S310 PolarHBondContact O-N 3.19Å; A308-S311 PolarHBondContact O-N 2.76Å; A308-H312 PolarHBondContact O-CD2 3.45Å; A308-H312 VanDerWaalsContact O-CD2 3.31Å; A308-H312 VanDerWaalsContact O-CG 3.23Å; A308-H312 PolarHBondContact O-N 3.45Å; A308-Y336 WeakPolarHBondContact CA-O 3.25Å; A308-A337 HydrophobicContact CB-CB 4.15Å
309	V	94.8	Very high	89.6	Confident	33 Å²	33	28.4 Å²	28.4	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-53.8	-43.1	174.3	174.9	0	0	0	0	111.3	V294 T305 A306 A307 S311 H312 L313	V294-V309 HydrophobicContact CG1-CG1 4.11Å; T305-V309 PolarHBondContact O-N 3.02Å; A306-V309 WeakPolarHBondContact O-CB 3.43Å; A306-V309 PolarHBondContact O-N 3.04Å; A307-V309 VanDerWaalsContact C-N 3.35Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.14Å; V309-H312 WeakPolarHBondContact O-CB 3.23Å; V309-H312 PolarHBondContact O-N 2.94Å; V309-L313 HydrophobicContact CG1-CG 4.46Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å; V309-L313 PolarHBondContact O-N 3.06Å
310	S	93.7	Very high	89.8	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-36.5	177.9	73.8	0	0	0	0	113.4	A306 A307 A308 N395 G396	A306-S310 PolarHBondContact O-N 3.26Å; A306-S310 VanDerWaalsContact O-N 3.08Å; A307-S310 PolarHBondContact O-N 3.49Å; A307-S310 PolarHBondContact O-OG 2.75Å; A308-S310 VanDerWaalsContact C-N 3.25Å; A308-S310 PolarHBondContact O-N 3.19Å; S310-N395 CarbonylContact O-C 3.58Å; S310-N395 WeakPolarHBondContact O-CA 3.13Å; S310-G396 VanDerWaalsContact OG-CA 3.22Å; S310-G396 WeakPolarHBondContact OG-CA 3.27Å
311	S	92.6	Very high	90.4	Very high	7 Å²	7	32.2 Å²	32.2	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-76.8	-30.6	173.3	-70.1	0	0	0	0	112.9	A307 A308 V309 L313 K314 T315 Y336	A307-S311 PolarHBondContact O-N 3.36Å; A308-S311 PolarHBondContact O-N 2.76Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.14Å; S311-L313 VanDerWaalsContact C-N 3.33Å; S311-K314 WeakPolarHBondContact O-CB 3.45Å; S311-K314 PolarHBondContact O-N 3.33Å; S311-T315 PolarHBondContact O-N 3.33Å; S311-T315 PolarHBondContact O-OG1 3.46Å; S311-Y336 WeakPolarHBondContact OG-CD1 3.49Å
312	H	94.5	Very high	91.7	Very high	4 Å²	4	32 Å²	32	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173.2	-58	158.5	0	0	0	111.5	L283 V294 G295 M298 A308 V309 K314 T315 I316 Y333	L283-H312 HydrophobicContact CD1-CB 3.65Å; V294-H312 HydrophobicContact CG1-CB 4.2Å; G295-H312 PolarHBondContact N-ND1 3.01Å; M298-H312 WeakPolarHBondContact CE-CE1 3.49Å; A308-H312 PolarHBondContact O-CD2 3.45Å; A308-H312 VanDerWaalsContact O-CD2 3.31Å; A308-H312 VanDerWaalsContact O-CG 3.23Å; A308-H312 PolarHBondContact O-N 3.45Å; V309-H312 WeakPolarHBondContact O-CB 3.23Å; V309-H312 PolarHBondContact O-N 2.94Å; H312-K314 VanDerWaalsContact C-N 3.31Å; H312-K314 PolarHBondContact O-N 2.97Å; H312-T315 PolarHBondContact O-N 2.85Å; H312-T315 VanDerWaalsContact O-N 3.09Å; H312-I316 PolarHBondContact O-N 3.01Å; H312-Y333 AromaticContact CD2-CD1 4Å; H312-Y333 AromaticContact CD2-CE1 3.61Å; H312-Y333 AromaticContact CD2-CE2 3.84Å; H312-Y333 AromaticContact CD2-CZ 3.52Å; H312-Y333 AromaticContact NE2-CE1 3.41Å; H312-Y333 WeakPolarHBondContact NE2-CE1 3.19Å; H312-Y333 AromaticContact NE2-CZ 3.44Å; H312-Y333 PolarHBondContact NE2-OH 3.12Å
313	L	92.2	Very high	92.8	Very high	55 Å²	55	32.4 Å²	32.4	29%	0.288	18%	0.177	S	C	.	.	H	α-helix	trans	-58	-44.5	177.9	-66	179.9	0	0	0	111.3	V309 S311 T315 I316 E317 L389	V309-L313 HydrophobicContact CG1-CG 4.46Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å; V309-L313 PolarHBondContact O-N 3.06Å; S311-L313 VanDerWaalsContact C-N 3.33Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 3.31Å; L313-I316 PolarHBondContact O-N 3.31Å; L313-E317 VanDerWaalsContact O-CB 3.26Å; L313-E317 WeakPolarHBondContact O-CB 3.3Å; L313-E317 PolarHBondContact O-N 3.3Å; L313-L389 HydrophobicContact CD1-CD1 3.69Å
314	K	91.9	Very high	93.7	Very high	57 Å²	57	37.5 Å²	37.5	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-42	174.4	-169.7	-177.7	175.6	179.1	0	113	S311 H312 M331 N395	S311-K314 WeakPolarHBondContact O-CB 3.45Å; S311-K314 PolarHBondContact O-N 3.33Å; H312-K314 VanDerWaalsContact C-N 3.31Å; H312-K314 PolarHBondContact O-N 2.97Å; K314-M331 HydrophobicContact CD-CE 4.1Å; K314-M331 HydrophobicContact CG-CE 4.27Å; K314-N395 HydrophobicContact CB-CB 3.9Å; K314-N395 HydrophobicContact CG-CB 4.21Å
315	T	94.4	Very high	94	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-72.1	-46.8	-178.5	-64.2	0	0	0	0	111.3	G281 L283 S311 H312 L313 K318 N319 M331	G281-T315 WeakPolarHBondContact O-CG2 3.3Å; L283-T315 HydrophobicContact CD1-CG2 4.05Å; L283-T315 HydrophobicContact CG-CG2 4.02Å; S311-T315 PolarHBondContact O-N 3.33Å; S311-T315 PolarHBondContact O-OG1 3.46Å; H312-T315 PolarHBondContact O-N 2.85Å; H312-T315 VanDerWaalsContact O-N 3.09Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 3.31Å; T315-K318 PolarHBondContact O-N 2.92Å; T315-N319 WeakPolarHBondContact CG2-ND2 3.33Å; T315-N319 WeakPolarHBondContact O-CB 3.43Å; T315-N319 PolarHBondContact O-N 3.18Å; T315-M331 HydrophobicContact CG2-CB 4.43Å; T315-M331 HydrophobicContact CG2-CG 4.23Å
316	I	94.3	Very high	94.2	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-71.4	-38.6	-176.1	-83.8	168.7	0	0	0	112.5	L283 F292 G293 V294 H312 L313 K318 N319 L320	L283-I316 HydrophobicContact CB-CD1 3.86Å; L283-I316 HydrophobicContact CB-CG1 4.01Å; L283-I316 HydrophobicContact CD1-CD1 3.96Å; L283-I316 HydrophobicContact CD1-CG1 4.12Å; F292-I316 HydrophobicContact CB-CD1 4.13Å; F292-I316 HydrophobicContact CB-CG1 4.43Å; F292-I316 HydrophobicContact CD1-CG1 4.22Å; G293-I316 WeakPolarHBondContact O-CD1 3.23Å; V294-I316 HydrophobicContact CG2-CD1 3.27Å; H312-I316 PolarHBondContact O-N 3.01Å; L313-I316 PolarHBondContact O-N 3.31Å; I316-K318 PolarHBondContact O-N 2.94Å; I316-N319 PolarHBondContact O-N 2.87Å; I316-L320 HydrophobicContact CG2-CB 4.35Å; I316-L320 WeakPolarHBondContact O-CB 3.28Å; I316-L320 PolarHBondContact O-N 3.38Å
317	E	92.4	Very high	94.4	Very high	115 Å²	115	46.7 Å²	46.7	54%	0.537	26%	0.255	S	S	.	.	H	α-helix	trans	-50.4	-47	174.9	-178.5	-174.6	-176.7	0	0	111.1	L313 T321 N395	L313-E317 VanDerWaalsContact O-CB 3.26Å; L313-E317 WeakPolarHBondContact O-CB 3.3Å; L313-E317 PolarHBondContact O-N 3.3Å; E317-T321 WeakPolarHBondContact O-CB 3.5Å; E317-T321 PolarHBondContact O-OG1 2.77Å; E317-N395 PolarHBondContact OE2-ND2 3.44Å
318	K	94.5	Very high	94.5	Very high	104 Å²	104	56 Å²	56	45%	0.452	29%	0.285	S	S	.	.	H	α-helix	trans	-73.6	-49.4	178.6	-66.9	-170.7	175.5	-166.3	0	112.7	T315 I316 T321 Q322 M331	T315-K318 PolarHBondContact O-N 2.92Å; I316-K318 PolarHBondContact O-N 2.94Å; K318-T321 PolarHBondContact O-N 2.86Å; K318-Q322 WeakPolarHBondContact O-CG 3.41Å; K318-Q322 PolarHBondContact O-N 3.17Å; K318-M331 HydrophobicContact CB-CB 3.86Å; K318-M331 HydrophobicContact CB-CG 4.33Å; K318-M331 HydrophobicContact CD-CB 4.14Å; K318-M331 HydrophobicContact CD-CG 4.01Å; K318-M331 HydrophobicContact CD-SD 3.94Å
319	N	97	Very high	94.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.7	-39.4	-172.3	-74.9	-16.7	0	0	0	113	S282 F292 T315 I316 T321 Q322 V323 P329 C330 M331	S282-N319 VanDerWaalsContact CA-ND2 3.35Å; S282-N319 WeakPolarHBondContact CA-ND2 3Å; S282-N319 PolarHBondContact O-ND2 3.42Å; F292-N319 HydrophobicContact CE1-CB 4.04Å; T315-N319 WeakPolarHBondContact CG2-ND2 3.33Å; T315-N319 WeakPolarHBondContact O-CB 3.43Å; T315-N319 PolarHBondContact O-N 3.18Å; I316-N319 PolarHBondContact O-N 2.87Å; N319-T321 VanDerWaalsContact C-N 3.35Å; N319-Q322 PolarHBondContact O-N 2.89Å; N319-V323 WeakPolarHBondContact O-CG2 3.26Å; N319-V323 PolarHBondContact O-N 3.38Å; N319-P329 HydrophobicContact CB-CB 4.03Å; N319-C330 PolarHBondContact OD1-N 3.29Å; N319-C330 VanDerWaalsContact OD1-N 3.08Å; N319-M331 PolarHBondContact ND2-O 3.12Å; N319-M331 WeakPolarHBondContact OD1-CA 3.43Å; N319-M331 VanDerWaalsContact OD1-CB 3.31Å; N319-M331 WeakPolarHBondContact OD1-CB 3.18Å; N319-M331 PolarHBondContact OD1-N 3.16Å; N319-M331 PolarHBondContact OD1-O 3.17Å
320	L	95.1	Very high	94.5	Very high	36 Å²	36	60 Å²	60	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.6	-178.8	59.2	0	0	0	110.3	Y47 V49 F292 I316 Q322 V323 M324	Y47-L320 HydrophobicContact CD1-CD1 4.22Å; Y47-L320 HydrophobicContact CG-CD1 4.22Å; V49-L320 HydrophobicContact CG2-CD2 4.11Å; F292-L320 HydrophobicContact CD2-CD1 3.92Å; F292-L320 HydrophobicContact CE2-CD1 3.72Å; I316-L320 HydrophobicContact CG2-CB 4.35Å; I316-L320 WeakPolarHBondContact O-CB 3.28Å; I316-L320 PolarHBondContact O-N 3.38Å; L320-Q322 VanDerWaalsContact C-N 3.33Å; L320-Q322 PolarHBondContact O-N 2.99Å; L320-V323 PolarHBondContact O-N 3.28Å; L320-M324 HydrophobicContact CD1-CG 4.3Å; L320-M324 HydrophobicContact CD1-SD 4.34Å; L320-M324 HydrophobicContact CG-CG 4.45Å; L320-M324 HydrophobicContact CG-SD 3.99Å; L320-M324 WeakPolarHBondContact O-CB 3.49Å; L320-M324 VanDerWaalsContact O-CG 3.25Å; L320-M324 WeakPolarHBondContact O-CG 3.08Å; L320-M324 PolarHBondContact O-N 3.3Å
321	T	95.5	Very high	94.5	Very high	65 Å²	65	61.7 Å²	61.7	40%	0.399	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-44.3	176	-58.1	0	0	0	0	111.9	E317 K318 N319 M324 Q325	E317-T321 WeakPolarHBondContact O-CB 3.5Å; E317-T321 PolarHBondContact O-OG1 2.77Å; K318-T321 PolarHBondContact O-N 2.86Å; N319-T321 VanDerWaalsContact C-N 3.35Å; T321-M324 PolarHBondContact O-N 3.08Å; T321-Q325 VanDerWaalsContact O-CG 3.32Å; T321-Q325 WeakPolarHBondContact O-CG 3.3Å; T321-Q325 PolarHBondContact O-N 3.33Å; T321-Q325 VanDerWaalsContact O-N 3.16Å
322	Q	96.4	Very high	94.6	Very high	56 Å²	56	66.7 Å²	66.7	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-46.3	176.8	-71.7	-63.5	-43.3	0	0	111.7	K318 N319 L320 M324 Q325 G326 N327	K318-Q322 WeakPolarHBondContact O-CG 3.41Å; K318-Q322 PolarHBondContact O-N 3.17Å; N319-Q322 PolarHBondContact O-N 2.89Å; L320-Q322 VanDerWaalsContact C-N 3.33Å; L320-Q322 PolarHBondContact O-N 2.99Å; Q322-M324 VanDerWaalsContact C-N 3.34Å; Q322-M324 PolarHBondContact O-N 2.8Å; Q322-Q325 CarbonylContact O-C 3.45Å; Q322-Q325 WeakPolarHBondContact O-CA 3.38Å; Q322-Q325 WeakPolarHBondContact O-CB 3.45Å; Q322-Q325 PolarHBondContact O-N 3.46Å; Q322-G326 PolarHBondContact O-N 2.98Å; Q322-N327 CarbonylContact C-O 3.56Å; Q322-N327 HydrophobicContact CB-CB 4.14Å; Q322-N327 WeakPolarHBondContact O-CA 3.13Å; Q322-N327 WeakPolarHBondContact O-CB 3.38Å; Q322-N327 PolarHBondContact O-N 2.74Å; Q322-N327 VanDerWaalsContact OE1-CB 3.22Å; Q322-N327 PolarHBondContact OE1-ND2 2.92Å
323	V	96	Very high	94.5	Very high	18 Å²	18	67.2 Å²	67.2	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-35.4	-179.8	170.5	0	0	0	0	112	Y47 F292 N319 L320 Q325 G326 N327 P329	Y47-V323 HydrophobicContact CD1-CG1 4.41Å; Y47-V323 HydrophobicContact CE1-CG1 3.75Å; Y47-V323 PolarHBondContact OH-O 3.21Å; F292-V323 HydrophobicContact CE2-CG1 4.48Å; F292-V323 HydrophobicContact CZ-CB 4.18Å; F292-V323 HydrophobicContact CZ-CG2 3.91Å; N319-V323 WeakPolarHBondContact O-CG2 3.26Å; N319-V323 PolarHBondContact O-N 3.38Å; L320-V323 PolarHBondContact O-N 3.28Å; V323-Q325 PolarHBondContact O-N 2.81Å; V323-G326 PolarHBondContact O-N 3.26Å; V323-N327 WeakPolarHBondContact CA-O 3.38Å; V323-P329 HydrophobicContact CG2-CG 3.83Å
324	M	95.5	Very high	94.4	Very high	112 Å²	112	67.5 Å²	67.5	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-27.6	171.7	-71.2	173.6	71.8	0	0	112.9	Y47 L320 T321 Q322 G326	Y47-M324 HydrophobicContact CD2-CG 3.88Å; Y47-M324 HydrophobicContact CE1-CG 4.39Å; Y47-M324 HydrophobicContact CE2-CB 4.39Å; Y47-M324 HydrophobicContact CE2-CG 3.65Å; Y47-M324 HydrophobicContact CG-CG 4.34Å; Y47-M324 WeakPolarHBondContact OH-CA 3.25Å; L320-M324 HydrophobicContact CD1-CG 4.3Å; L320-M324 HydrophobicContact CD1-SD 4.34Å; L320-M324 HydrophobicContact CG-CG 4.45Å; L320-M324 HydrophobicContact CG-SD 3.99Å; L320-M324 WeakPolarHBondContact O-CB 3.49Å; L320-M324 VanDerWaalsContact O-CG 3.25Å; L320-M324 WeakPolarHBondContact O-CG 3.08Å; L320-M324 PolarHBondContact O-N 3.3Å; T321-M324 PolarHBondContact O-N 3.08Å; Q322-M324 VanDerWaalsContact C-N 3.34Å; Q322-M324 PolarHBondContact O-N 2.8Å; M324-G326 VanDerWaalsContact C-N 3.3Å
325	Q	96.2	Very high	94.2	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	5.5	175.4	-67.4	170.5	-7.1	0	0	113.1	T321 Q322 V323 N327	T321-Q325 VanDerWaalsContact O-CG 3.32Å; T321-Q325 WeakPolarHBondContact O-CG 3.3Å; T321-Q325 PolarHBondContact O-N 3.33Å; T321-Q325 VanDerWaalsContact O-N 3.16Å; Q322-Q325 CarbonylContact O-C 3.45Å; Q322-Q325 WeakPolarHBondContact O-CA 3.38Å; Q322-Q325 WeakPolarHBondContact O-CB 3.45Å; Q322-Q325 PolarHBondContact O-N 3.46Å; V323-Q325 PolarHBondContact O-N 2.81Å; Q325-N327 VanDerWaalsContact C-N 3.28Å; Q325-N327 PolarHBondContact O-N 3.46Å
326	G	95.2	Very high	94	Very high	71 Å²	71	65.4 Å²	65.4	73%	0.732	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.2	-176.5	0	0	0	0	0	114.6	Q322 V323 M324	Q322-G326 PolarHBondContact O-N 2.98Å; V323-G326 PolarHBondContact O-N 3.26Å; M324-G326 VanDerWaalsContact C-N 3.3Å
327	N	96.1	Very high	93.8	Very high	82 Å²	82	64.9 Å²	64.9	44%	0.439	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-91.3	163.2	179.1	-61.9	-44.3	0	0	0	111.9	Q322 V323 Q325	Q322-N327 CarbonylContact C-O 3.56Å; Q322-N327 HydrophobicContact CB-CB 4.14Å; Q322-N327 WeakPolarHBondContact O-CA 3.13Å; Q322-N327 WeakPolarHBondContact O-CB 3.38Å; Q322-N327 PolarHBondContact O-N 2.74Å; Q322-N327 VanDerWaalsContact OE1-CB 3.22Å; Q322-N327 PolarHBondContact OE1-ND2 2.92Å; V323-N327 WeakPolarHBondContact CA-O 3.38Å; Q325-N327 VanDerWaalsContact C-N 3.28Å; Q325-N327 PolarHBondContact O-N 3.46Å
328	R	93.8	Very high	93.7	Very high	221 Å²	221	59.7 Å²	59.7	83%	0.834	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-79.1	150	174.1	-65	-176.9	-179.6	-176.4	0.3	111.1	C330	R328-C330 PolarHBondContact O-N 3.23Å
329	P	94.3	Very high	93.6	Very high	32 Å²	32	54.9 Å²	54.9	21%	0.208	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-55.6	132	171	-23.5	32.7	0	0	0	111.8	N319 V323	N319-P329 HydrophobicContact CB-CB 4.03Å; V323-P329 HydrophobicContact CG2-CG 3.83Å
330	C	92.8	Very high	93.4	Very high	85 Å²	85	55.9 Å²	55.9	57%	0.574	30%	0.299	S	S	*	.			trans	-117.7	-23.7	-177.9	66.2	0	0	0	0	113.2	N319 R328	N319-C330 PolarHBondContact OD1-N 3.29Å; N319-C330 VanDerWaalsContact OD1-N 3.08Å; R328-C330 PolarHBondContact O-N 3.23Å
331	M	93.9	Very high	93.3	Very high	39 Å²	39	54.2 Å²	54.2	19%	0.192	29%	0.29	C	S	.	.			trans	-82.6	135.4	179.4	-171.1	62.7	-168.8	0	0	110.2	K314 T315 K318 N319	K314-M331 HydrophobicContact CD-CE 4.1Å; K314-M331 HydrophobicContact CG-CE 4.27Å; T315-M331 HydrophobicContact CG2-CB 4.43Å; T315-M331 HydrophobicContact CG2-CG 4.23Å; K318-M331 HydrophobicContact CB-CB 3.86Å; K318-M331 HydrophobicContact CB-CG 4.33Å; K318-M331 HydrophobicContact CD-CB 4.14Å; K318-M331 HydrophobicContact CD-CG 4.01Å; K318-M331 HydrophobicContact CD-SD 3.94Å; N319-M331 PolarHBondContact ND2-O 3.12Å; N319-M331 WeakPolarHBondContact OD1-CA 3.43Å; N319-M331 VanDerWaalsContact OD1-CB 3.31Å; N319-M331 WeakPolarHBondContact OD1-CB 3.18Å; N319-M331 PolarHBondContact OD1-N 3.16Å; N319-M331 PolarHBondContact OD1-O 3.17Å
332	Q	94.2	Very high	93.3	Very high	111 Å²	111	51.6 Å²	51.6	52%	0.519	27%	0.274	S	S	.	.			trans	-114.1	124.2	179.1	-62.6	-64.1	-42.8	0	0	109.4	G281 D334	G281-Q332 VanDerWaalsContact CA-OE1 3.23Å; Q332-D334 PolarHBondContact O-N 2.92Å
333	Y	93	Very high	93.2	Very high	16 Å²	16	49.2 Å²	49.2	6%	0.063	26%	0.263	C	S	.	.			trans	-67.2	127.9	168.8	175.3	-134.8	0	0	0	109.5	G280 G281 L283 N302 H312 G335 Y336	G280-Y333 WeakPolarHBondContact O-CD1 3.45Å; G281-Y333 VanDerWaalsContact O-CB 3.26Å; G281-Y333 WeakPolarHBondContact O-CB 3.3Å; G281-Y333 PolarHBondContact O-N 2.84Å; L283-Y333 HydrophobicContact CD2-CD1 3.94Å; L283-Y333 HydrophobicContact CD2-CG 4.39Å; N302-Y333 VanDerWaalsContact CG-OH 3.28Å; N302-Y333 PolarHBondContact ND2-OH 3.46Å; H312-Y333 AromaticContact CD2-CD1 4Å; H312-Y333 AromaticContact CD2-CE1 3.61Å; H312-Y333 AromaticContact CD2-CE2 3.84Å; H312-Y333 AromaticContact CD2-CZ 3.52Å; H312-Y333 AromaticContact NE2-CE1 3.41Å; H312-Y333 WeakPolarHBondContact NE2-CE1 3.19Å; H312-Y333 AromaticContact NE2-CZ 3.44Å; H312-Y333 PolarHBondContact NE2-OH 3.12Å; Y333-G335 VanDerWaalsContact CE1-CA 3.49Å; Y333-G335 VanDerWaalsContact CZ-C 3.48Å; Y333-G335 PolarHBondContact O-N 2.84Å; Y333-G335 VanDerWaalsContact OH-C 3.25Å; Y333-Y336 PolarHBondContact OH-N 2.85Å; Y333-Y336 PolarHBondContact OH-O 3.07Å
334	D	89.1	Confident	93.2	Very high	61 Å²	61	49.1 Å²	49.1	33%	0.326	26%	0.264	S	S	.	.			trans	-84.6	3.6	-176.2	63.1	-2.8	0	0	0	113.4	Q332 Y336 P355 M359	Q332-D334 PolarHBondContact O-N 2.92Å; D334-Y336 PolarHBondContact O-N 3.47Å; D334-Y336 WeakPolarHBondContact OD1-CB 3.08Å; D334-Y336 PolarHBondContact OD1-N 2.94Å; D334-Y336 VanDerWaalsContact OD1-N 3.07Å; D334-P355 WeakPolarHBondContact O-CD 3.46Å; D334-M359 WeakPolarHBondContact OD2-CE 3.4Å
335	G	88.1	Confident	93.1	Very high	8 Å²	8	45.6 Å²	45.6	8%	0.082	25%	0.249	C	C	.	.			trans	73.2	13	-177.6	0	0	0	0	0	114.2	Y333 A337	Y333-G335 VanDerWaalsContact CE1-CA 3.49Å; Y333-G335 VanDerWaalsContact CZ-C 3.48Å; Y333-G335 PolarHBondContact O-N 2.84Å; Y333-G335 VanDerWaalsContact OH-C 3.25Å; G335-A337 PolarHBondContact O-N 3.02Å
336	Y	91	Very high	93	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	24%	0.238	C	C	.	.			trans	-58.1	127.4	-178.7	171.1	-94.2	0	0	0	113.1	A307 A308 S311 Y333 D334 S338 E352 F353 M359 P397 R401	A307-Y336 HydrophobicContact CB-CE1 4.16Å; A308-Y336 WeakPolarHBondContact CA-O 3.25Å; S311-Y336 WeakPolarHBondContact OG-CD1 3.49Å; Y333-Y336 PolarHBondContact OH-N 2.85Å; Y333-Y336 PolarHBondContact OH-O 3.07Å; D334-Y336 PolarHBondContact O-N 3.47Å; D334-Y336 WeakPolarHBondContact OD1-CB 3.08Å; D334-Y336 PolarHBondContact OD1-N 2.94Å; D334-Y336 VanDerWaalsContact OD1-N 3.07Å; Y336-S338 WeakPolarHBondContact OH-CB 3.44Å; Y336-E352 HydrophobicContact CE2-CB 4.17Å; Y336-E352 HydrophobicContact CE2-CG 4.31Å; Y336-E352 WeakPolarHBondContact CE2-OE1 3.47Å; Y336-E352 PolarHBondContact OH-OE1 2.83Å; Y336-F353 CarbonylContact C-O 3.51Å; Y336-F353 WeakPolarHBondContact CA-O 3.42Å; Y336-M359 HydrophobicContact CD2-CB 4.24Å; Y336-M359 HydrophobicContact CD2-CE 4.35Å; Y336-P397 HydrophobicContact CE1-CG 3.87Å; Y336-P397 HydrophobicContact CE2-CG 3.98Å; Y336-P397 WeakPolarHBondContact OH-CG 2.78Å; Y336-R401 VanDerWaalsContact CE2-NH2 3.27Å
337	A	89.3	Confident	93.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	162	166.3	0	0	0	0	0	111.1	A303 A308 G335 E352 F353	A303-A337 HydrophobicContact CB-CB 3.82Å; A308-A337 HydrophobicContact CB-CB 4.15Å; G335-A337 PolarHBondContact O-N 3.02Å; A337-E352 WeakPolarHBondContact O-CA 3.48Å; A337-F353 HydrophobicContact CB-CD2 4.25Å; A337-F353 HydrophobicContact CB-CE2 3.79Å; A337-F353 HydrophobicContact CB-CZ 4.19Å; A337-F353 PolarHBondContact N-O 2.95Å; A337-F353 PolarHBondContact O-N 2.81Å
338	S	90.6	Very high	93.2	Very high	6 Å²	6	40 Å²	40	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.8	174.4	-178.9	0	0	0	0	111.2	T305 Y336 A351	T305-S338 WeakPolarHBondContact CG2-O 3.36Å; Y336-S338 WeakPolarHBondContact OH-CB 3.44Å; S338-A351 CarbonylContact C-O 3.55Å; S338-A351 VanDerWaalsContact CA-O 3.25Å; S338-A351 WeakPolarHBondContact CA-O 3.42Å; S338-A351 PolarHBondContact OG-O 2.84Å; S338-A351 VanDerWaalsContact OG-O 3.07Å
339	C	91.6	Very high	93.2	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	96.5	172.4	-165.4	0	0	0	0	109.8	K114 L341 A351 F353	K114-C339 PolarHBondContact NZ-SG 3.12Å; C339-L341 PolarHBondContact O-N 2.82Å; C339-A351 HydrophobicContact CB-CB 4.48Å; C339-A351 PolarHBondContact N-O 2.79Å; C339-A351 PolarHBondContact O-N 3.19Å; C339-F353 HydrophobicContact CB-CE1 4.18Å
340	P	93.6	Very high	93.2	Very high	20 Å²	20	28.1 Å²	28.1	13%	0.13	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	96.6	168.7	-21.9	33.9	0	0	0	110	K114 V342 V348 L350 K377 M381	K114-P340 WeakPolarHBondContact CD-O 3.15Å; K114-P340 WeakPolarHBondContact CE-O 3.48Å; K114-P340 PolarHBondContact NZ-O 3.4Å; P340-V342 PolarHBondContact O-N 2.8Å; P340-V348 HydrophobicContact CB-CG1 4Å; P340-L350 HydrophobicContact CB-CD1 4.13Å; P340-L350 HydrophobicContact CG-CD1 3.82Å; P340-K377 HydrophobicContact CB-CB 4.22Å; P340-K377 HydrophobicContact CB-CG 3.74Å; P340-K377 HydrophobicContact CG-CG 4.47Å; P340-M381 HydrophobicContact CG-CE 3.98Å; P340-M381 HydrophobicContact CG-SD 3.96Å
341	L	93	Very high	93.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	98.7	-177.4	-67.8	151.3	0	0	0	109.3	Q113 F193 L202 C339 V343 V348 I349 A351	Q113-L341 HydrophobicContact CG-CD2 4.46Å; F193-L341 HydrophobicContact CE1-CD1 4.4Å; F193-L341 HydrophobicContact CE1-CD2 4.12Å; F193-L341 HydrophobicContact CZ-CD2 4.5Å; L202-L341 HydrophobicContact CD1-CD1 3.91Å; L202-L341 HydrophobicContact CD2-CB 4.45Å; L202-L341 HydrophobicContact CD2-CD1 4.14Å; L202-L341 HydrophobicContact CD2-CD2 4.45Å; L202-L341 HydrophobicContact CG-CD1 4.35Å; C339-L341 PolarHBondContact O-N 2.82Å; L341-V343 PolarHBondContact O-N 3.18Å; L341-V348 CarbonylContact O-C 3.07Å; L341-V348 VanDerWaalsContact O-CA 3.28Å; L341-V348 WeakPolarHBondContact O-CA 3.49Å; L341-I349 HydrophobicContact CB-CB 4.14Å; L341-I349 WeakPolarHBondContact CB-O 3.5Å; L341-I349 HydrophobicContact CD1-CG2 4.35Å; L341-I349 PolarHBondContact N-O 3.26Å; L341-I349 PolarHBondContact O-N 3.19Å; L341-A351 HydrophobicContact CD1-CB 3.87Å
342	V	95.6	Very high	93	Very high	11 Å²	11	22.7 Å²	22.7	7%	0.067	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114.6	171.4	-173	0	0	0	0	108.7	K114 I118 P340 S344 V348 K377	K114-V342 HydrophobicContact CB-CB 4.41Å; K114-V342 HydrophobicContact CD-CB 4.48Å; K114-V342 HydrophobicContact CD-CG2 4.41Å; K114-V342 HydrophobicContact CG-CB 4.24Å; I118-V342 HydrophobicContact CD1-CB 4.1Å; I118-V342 HydrophobicContact CD1-CG1 3.73Å; I118-V342 HydrophobicContact CG1-CB 4.36Å; I118-V342 HydrophobicContact CG1-CG1 3.67Å; P340-V342 PolarHBondContact O-N 2.8Å; V342-S344 WeakPolarHBondContact CG1-O 3.39Å; V342-V348 HydrophobicContact CB-CG2 4.34Å; V342-V348 HydrophobicContact CG2-CG2 3.89Å; V342-K377 HydrophobicContact CG2-CD 3.74Å; V342-K377 VanDerWaalsContact CG2-CE 3.43Å
343	V	94.6	Very high	92.6	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-7.8	-176.7	-65.6	0	0	0	0	112.7	Y117 L202 V205 K209 L341 R347 I349 P369	Y117-V343 HydrophobicContact CD2-CB 4.37Å; Y117-V343 HydrophobicContact CD2-CG1 3.95Å; Y117-V343 HydrophobicContact CE2-CG1 4.2Å; L202-V343 HydrophobicContact CD2-CG1 4.21Å; V205-V343 HydrophobicContact CG1-CB 3.97Å; V205-V343 HydrophobicContact CG1-CG1 4.13Å; V205-V343 HydrophobicContact CG2-CB 4.12Å; V205-V343 HydrophobicContact CG2-CG1 4.12Å; V205-V343 HydrophobicContact CG2-CG2 4.48Å; K209-V343 WeakPolarHBondContact CE-O 3.47Å; L341-V343 PolarHBondContact O-N 3.18Å; V343-R347 HydrophobicContact CG2-CB 3.9Å; V343-R347 PolarHBondContact N-O 3.41Å; V343-I349 HydrophobicContact CG1-CD1 3.91Å; V343-I349 HydrophobicContact CG1-CG1 4.15Å; V343-I349 HydrophobicContact CG2-CG1 4.32Å; V343-P369 HydrophobicContact CG2-CB 3.76Å; V343-P369 HydrophobicContact CG2-CG 4.08Å
344	S	94.9	Very high	92.2	Very high	16 Å²	16	17 Å²	17	11%	0.112	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	177.9	166.2	77.3	0	0	0	0	110.8	S121 V342 N346 R347	S121-S344 VanDerWaalsContact OG-CA 3.3Å; S121-S344 WeakPolarHBondContact OG-CA 3.28Å; V342-S344 WeakPolarHBondContact CG1-O 3.39Å; S344-N346 PolarHBondContact O-N 2.75Å; S344-N346 PolarHBondContact OG-N 3.22Å; S344-N346 PolarHBondContact OG-OD1 2.82Å; S344-R347 PolarHBondContact N-O 3.04Å; S344-R347 VanDerWaalsContact OG-CB 3.23Å; S344-R347 WeakPolarHBondContact OG-CB 3.37Å; S344-R347 WeakPolarHBondContact OG-CG 3.46Å; S344-R347 PolarHBondContact OG-N 2.93Å
345	T	93.8	Very high	91.7	Very high	39 Å²	39	17.5 Å²	17.5	24%	0.239	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.8	173	47.6	0	0	0	0	114	I122 Q125 Y374	I122-T345 HydrophobicContact CG1-CG2 4.32Å; Q125-T345 PolarHBondContact NE2-OG1 3.34Å; T345-Y374 WeakPolarHBondContact O-CE2 3.37Å; T345-Y374 PolarHBondContact O-OH 2.97Å
346	N	95.4	Very high	91.3	Very high	64 Å²	64	29 Å²	29	34%	0.342	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	19.1	-178.1	70.7	-5.5	0	0	0	114.6	S344 Y371	S344-N346 PolarHBondContact O-N 2.75Å; S344-N346 PolarHBondContact OG-N 3.22Å; S344-N346 PolarHBondContact OG-OD1 2.82Å; N346-Y371 HydrophobicContact CB-CD2 4.11Å; N346-Y371 HydrophobicContact CB-CE2 4.1Å; N346-Y371 VanDerWaalsContact O-CD2 3.32Å; N346-Y371 WeakPolarHBondContact O-CD2 3.24Å
347	R	97	Very high	90.8	Very high	93 Å²	93	29.7 Å²	29.7	35%	0.351	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.7	178.8	-63.4	-68.8	-176.3	-92.7	4.1	111.5	V343 S344 P369 T370	V343-R347 HydrophobicContact CG2-CB 3.9Å; V343-R347 PolarHBondContact N-O 3.41Å; S344-R347 PolarHBondContact N-O 3.04Å; S344-R347 VanDerWaalsContact OG-CB 3.23Å; S344-R347 WeakPolarHBondContact OG-CB 3.37Å; S344-R347 WeakPolarHBondContact OG-CG 3.46Å; S344-R347 PolarHBondContact OG-N 2.93Å; R347-P369 HydrophobicContact CB-CB 4.02Å; R347-P369 HydrophobicContact CG-CB 4.48Å; R347-T370 WeakPolarHBondContact CA-O 3.06Å
348	V	97.1	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.4	176.6	168.7	0	0	0	0	110.1	P340 L341 V342 T370 A373 Y374 K377	P340-V348 HydrophobicContact CB-CG1 4Å; L341-V348 CarbonylContact O-C 3.07Å; L341-V348 VanDerWaalsContact O-CA 3.28Å; L341-V348 WeakPolarHBondContact O-CA 3.49Å; V342-V348 HydrophobicContact CB-CG2 4.34Å; V342-V348 HydrophobicContact CG2-CG2 3.89Å; V348-T370 PolarHBondContact N-O 3.32Å; V348-T370 PolarHBondContact O-N 3.27Å; V348-A373 HydrophobicContact CB-CB 3.88Å; V348-A373 HydrophobicContact CG1-CB 3.92Å; V348-Y374 HydrophobicContact CG2-CD2 4.23Å; V348-K377 HydrophobicContact CG2-CB 4.35Å; V348-K377 HydrophobicContact CG2-CD 4.32Å
349	I	94.7	Very high	90.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121	160.2	-62.8	175.7	0	0	0	106.6	Y198 L202 V205 L341 V343 A351 Q366 S367 P369	Y198-I349 HydrophobicContact CD1-CG2 4.05Å; L202-I349 HydrophobicContact CD2-CD1 4.16Å; V205-I349 HydrophobicContact CG2-CD1 4.42Å; L341-I349 HydrophobicContact CB-CB 4.14Å; L341-I349 WeakPolarHBondContact CB-O 3.5Å; L341-I349 HydrophobicContact CD1-CG2 4.35Å; L341-I349 PolarHBondContact N-O 3.26Å; L341-I349 PolarHBondContact O-N 3.19Å; V343-I349 HydrophobicContact CG1-CD1 3.91Å; V343-I349 HydrophobicContact CG1-CG1 4.15Å; V343-I349 HydrophobicContact CG2-CG1 4.32Å; I349-A351 PolarHBondContact O-N 3.02Å; I349-Q366 WeakPolarHBondContact CG2-O 3.48Å; I349-S367 WeakPolarHBondContact CG1-O 3.45Å; I349-S367 WeakPolarHBondContact CG2-O 3.46Å; I349-P369 HydrophobicContact CD1-CG 4.03Å; I349-P369 HydrophobicContact CG1-CB 4.29Å; I349-P369 HydrophobicContact CG1-CG 3.84Å
350	L	94.1	Very high	90.6	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	83.4	-177.7	179.8	66.5	0	0	0	109.6	P340 E352 Q366 W372 A373 M376 M381	P340-L350 HydrophobicContact CB-CD1 4.13Å; P340-L350 HydrophobicContact CG-CD1 3.82Å; L350-E352 HydrophobicContact CG-CG 4.33Å; L350-E352 PolarHBondContact O-N 3.11Å; L350-Q366 HydrophobicContact CB-CB 4.1Å; L350-Q366 PolarHBondContact N-O 3.41Å; L350-Q366 VanDerWaalsContact N-O 3.08Å; L350-Q366 WeakPolarHBondContact O-CB 3.31Å; L350-Q366 PolarHBondContact O-NE2 2.79Å; L350-W372 HydrophobicContact CD2-CH2 3.81Å; L350-W372 HydrophobicContact CD2-CZ3 4.18Å; L350-A373 HydrophobicContact CB-CB 4.26Å; L350-M376 HydrophobicContact CD1-CE 3.71Å; L350-M376 HydrophobicContact CD2-CE 3.4Å; L350-M376 VanDerWaalsContact CD2-CE 3.4Å; L350-M376 HydrophobicContact CD2-SD 4.34Å; L350-M376 HydrophobicContact CG-CE 4.11Å; L350-M381 HydrophobicContact CD1-CE 4.23Å
351	A	90.9	Very high	90.4	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.8	176.8	0	0	0	0	0	110.2	Y198 S338 C339 L341 I349 F353	Y198-A351 HydrophobicContact CD1-CB 4.13Å; Y198-A351 HydrophobicContact CD2-CB 3.85Å; Y198-A351 HydrophobicContact CE1-CB 4.31Å; Y198-A351 HydrophobicContact CE2-CB 4.01Å; Y198-A351 HydrophobicContact CG-CB 3.95Å; S338-A351 CarbonylContact C-O 3.55Å; S338-A351 VanDerWaalsContact CA-O 3.25Å; S338-A351 WeakPolarHBondContact CA-O 3.42Å; S338-A351 PolarHBondContact OG-O 2.84Å; S338-A351 VanDerWaalsContact OG-O 3.07Å; C339-A351 HydrophobicContact CB-CB 4.48Å; C339-A351 PolarHBondContact N-O 2.79Å; C339-A351 PolarHBondContact O-N 3.19Å; L341-A351 HydrophobicContact CD1-CB 3.87Å; I349-A351 PolarHBondContact O-N 3.02Å; A351-F353 HydrophobicContact CB-CD1 4.22Å; A351-F353 HydrophobicContact CB-CE1 4.21Å
352	E	91.3	Very high	90.2	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133	172.8	-69.5	-173.4	94.4	0	0	109.2	Y198 Y336 A337 L350 A358 M359 T361 Q366	Y198-E352 PolarHBondContact OH-O 3.45Å; Y336-E352 HydrophobicContact CE2-CB 4.17Å; Y336-E352 HydrophobicContact CE2-CG 4.31Å; Y336-E352 WeakPolarHBondContact CE2-OE1 3.47Å; Y336-E352 PolarHBondContact OH-OE1 2.83Å; A337-E352 WeakPolarHBondContact O-CA 3.48Å; L350-E352 HydrophobicContact CG-CG 4.33Å; L350-E352 PolarHBondContact O-N 3.11Å; E352-A358 WeakPolarHBondContact O-CA 3.44Å; E352-M359 WeakPolarHBondContact CB-O 3.5Å; E352-M359 PolarHBondContact O-N 3.23Å; E352-T361 VanDerWaalsContact CD-OG1 3.28Å; E352-T361 PolarHBondContact OE1-OG1 2.75Å; E352-T361 VanDerWaalsContact OE2-CB 3.25Å; E352-T361 WeakPolarHBondContact OE2-CB 3.21Å; E352-T361 PolarHBondContact OE2-N 2.93Å; E352-T361 PolarHBondContact OE2-OG1 3.49Å; E352-Q366 PolarHBondContact OE2-NE2 3.13Å; E352-Q366 PolarHBondContact OE2-OE1 3.09Å
353	F	86.8	Confident	89.7	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	161.6	-166.5	51.1	-95.6	0	0	0	113.7	H191 L192 I195 A303 Y336 A337 C339 A351 G357	H191-F353 WeakPolarHBondContact O-CD2 3.12Å; L192-F353 HydrophobicContact CG-CZ 4.15Å; I195-F353 HydrophobicContact CD1-CB 3.2Å; I195-F353 HydrophobicContact CD1-CG 4.17Å; A303-F353 HydrophobicContact CB-CE2 3.67Å; A303-F353 HydrophobicContact CB-CZ 3.67Å; Y336-F353 CarbonylContact C-O 3.51Å; Y336-F353 WeakPolarHBondContact CA-O 3.42Å; A337-F353 HydrophobicContact CB-CD2 4.25Å; A337-F353 HydrophobicContact CB-CE2 3.79Å; A337-F353 HydrophobicContact CB-CZ 4.19Å; A337-F353 PolarHBondContact N-O 2.95Å; A337-F353 PolarHBondContact O-N 2.81Å; C339-F353 HydrophobicContact CB-CE1 4.18Å; A351-F353 HydrophobicContact CB-CD1 4.22Å; A351-F353 HydrophobicContact CB-CE1 4.21Å; F353-G357 WeakPolarHBondContact CA-O 3.48Å
354	G	84.7	Confident	89.4	Confident	4 Å²	4	44.6 Å²	44.6	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-168	168	0	0	0	0	0	110.9	R356 G357 M359	G354-R356 PolarHBondContact O-N 2.89Å; G354-G357 PolarHBondContact N-O 3.47Å; G354-G357 PolarHBondContact O-N 2.62Å; G354-G357 VanDerWaalsContact O-N 3.07Å; G354-M359 VanDerWaalsContact CA-SD 3.6Å
355	P	77.3	Confident	89.1	Confident	71 Å²	71	47.1 Å²	47.1	46%	0.461	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24	-174.5	-26.3	36	0	0	0	114.3	H191 D334	H191-P355 VanDerWaalsContact CD2-CA 3.49Å; H191-P355 WeakPolarHBondContact CD2-CA 2.83Å; H191-P355 PolarHBondContact NE2-O 2.76Å; D334-P355 WeakPolarHBondContact O-CD 3.46Å
356	R	78.9	Confident	89.1	Confident	250 Å²	250	45.3 Å²	45.3	94%	0.943	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	5.4	-177.4	-64.8	-175.3	-70.9	-173	-3.4	114.3	G354	G354-R356 PolarHBondContact O-N 2.89Å
357	G	82.5	Confident	88.8	Confident	21 Å²	21	42.8 Å²	42.8	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.1	-150.8	-179.6	0	0	0	0	0	113.4	I195 F353 G354	I195-G357 VanDerWaalsContact CD1-C 3.43Å; F353-G357 WeakPolarHBondContact CA-O 3.48Å; G354-G357 PolarHBondContact N-O 3.47Å; G354-G357 PolarHBondContact O-N 2.62Å; G354-G357 VanDerWaalsContact O-N 3.07Å
358	A	86.1	Confident	88.7	Confident	48 Å²	48	44.3 Å²	44.3	40%	0.397	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.4	-173.8	0	0	0	0	0	112.5	I195 Y198 E352	I195-A358 HydrophobicContact CD1-CB 4.23Å; I195-A358 HydrophobicContact CG2-CB 4.13Å; Y198-A358 HydrophobicContact CE2-CB 4.34Å; E352-A358 WeakPolarHBondContact O-CA 3.44Å
359	M	88.9	Confident	88.6	Confident	30 Å²	30	47 Å²	47	15%	0.148	24%	0.243	C	C	.	.			trans	-130.2	45.9	-179.2	-67.3	-174.5	65.5	0	0	111.2	D334 Y336 E352 G354 T361 R401	D334-M359 WeakPolarHBondContact OD2-CE 3.4Å; Y336-M359 HydrophobicContact CD2-CB 4.24Å; Y336-M359 HydrophobicContact CD2-CE 4.35Å; E352-M359 WeakPolarHBondContact CB-O 3.5Å; E352-M359 PolarHBondContact O-N 3.23Å; G354-M359 VanDerWaalsContact CA-SD 3.6Å; M359-T361 PolarHBondContact O-N 3.37Å; M359-R401 PolarHBondContact O-NE 3.12Å; M359-R401 VanDerWaalsContact O-NE 3.16Å
360	E	90.9	Very high	88.7	Confident	46 Å²	46	48.1 Å²	48.1	22%	0.215	25%	0.251	C	S	.	.			trans	-56.1	132.2	-178.9	-61.5	-171.6	163.4	0	0	111.8	Y198 Q366 R401	Y198-E360 WeakPolarHBondContact CE1-OE1 3.48Å; Y198-E360 VanDerWaalsContact OH-CD 3.29Å; Y198-E360 WeakPolarHBondContact OH-CG 3.35Å; Y198-E360 PolarHBondContact OH-OE1 3.21Å; E360-Q366 HydrophobicContact CB-CG 4.07Å; E360-Q366 HydrophobicContact CG-CB 4.14Å; E360-Q366 HydrophobicContact CG-CG 3.94Å; E360-Q366 WeakPolarHBondContact OE1-CB 3.38Å; E360-Q366 PolarHBondContact OE1-N 2.95Å; E360-R401 WeakPolarHBondContact O-CG 3.24Å
361	T	90.5	Very high	88.8	Confident	14 Å²	14	53.5 Å²	53.5	9%	0.086	27%	0.272	C	S	.	.	S	Bend	trans	-85	-38.4	-179.2	-66.2	0	0	0	0	111.3	E352 M359 P397 L400 T404	E352-T361 VanDerWaalsContact CD-OG1 3.28Å; E352-T361 PolarHBondContact OE1-OG1 2.75Å; E352-T361 VanDerWaalsContact OE2-CB 3.25Å; E352-T361 WeakPolarHBondContact OE2-CB 3.21Å; E352-T361 PolarHBondContact OE2-N 2.93Å; E352-T361 PolarHBondContact OE2-OG1 3.49Å; M359-T361 PolarHBondContact O-N 3.37Å; T361-P397 HydrophobicContact CG2-CB 3.7Å; T361-P397 WeakPolarHBondContact OG1-CB 3.46Å; T361-P397 WeakPolarHBondContact OG1-CG 3.17Å; T361-L400 HydrophobicContact CG2-CB 3.97Å; T361-T404 PolarHBondContact O-OG1 3.38Å
362	T	87.9	Confident	89	Confident	32 Å²	32	57.6 Å²	57.6	20%	0.196	29%	0.286	C	S	.	.	S	Bend	trans	-87.5	158.1	-177.2	73.8	0	0	0	0	111.3	F364 Q366 W372	T362-F364 PolarHBondContact O-N 2.91Å; T362-Q366 WeakPolarHBondContact OG1-CG 3.36Å; T362-Q366 PolarHBondContact OG1-OE1 2.91Å; T362-W372 HydrophobicContact CG2-CH2 3.83Å; T362-W372 HydrophobicContact CG2-CZ3 4.16Å
363	P	84.8	Confident	89.2	Confident	59 Å²	59	57.2 Å²	57.2	38%	0.383	29%	0.285	S	S	.	.	S	Bend	trans	-73.3	-12.3	177	30.1	-35.6	0	0	0	113.5	K408	P363-K408 PolarHBondContact O-NZ 3.34Å
364	F	88.1	Confident	89.6	Confident	130 Å²	130	58.2 Å²	58.2	57%	0.57	29%	0.289	S	S	*	.	S	Bend	trans	-87.2	151.2	-176.9	-50.2	-68.4	0	0	0	111.6	T362 Q366	T362-F364 PolarHBondContact O-N 2.91Å; F364-Q366 VanDerWaalsContact O-CG 3.31Å; F364-Q366 WeakPolarHBondContact O-CG 3.31Å; F364-Q366 PolarHBondContact O-N 2.77Å
365	D	89.8	Confident	90.1	Very high	70 Å²	70	61 Å²	61	37%	0.374	30%	0.302	S	S	.	.			trans	-64.2	106.7	174.2	175.1	6.5	0	0	0	110.7	S367 K368	D365-S367 VanDerWaalsContact C-N 3.27Å; D365-S367 PolarHBondContact O-N 3.08Å; D365-S367 VanDerWaalsContact OD1-CB 3.27Å; D365-S367 WeakPolarHBondContact OD1-CB 3.49Å; D365-S367 PolarHBondContact OD1-N 3.21Å; D365-S367 PolarHBondContact OD1-OG 3.06Å; D365-S367 PolarHBondContact OD2-OG 3.2Å; D365-K368 WeakPolarHBondContact OD2-CD 3.38Å; D365-K368 WeakPolarHBondContact OD2-CE 3.48Å; D365-K368 IonicContact OD2-NZ 2.74Å
366	Q	92.7	Very high	90.9	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.9	-175.6	-50.4	-173.2	167.9	0	0	113	I349 L350 E352 E360 T362 F364 K368	I349-Q366 WeakPolarHBondContact CG2-O 3.48Å; L350-Q366 HydrophobicContact CB-CB 4.1Å; L350-Q366 PolarHBondContact N-O 3.41Å; L350-Q366 VanDerWaalsContact N-O 3.08Å; L350-Q366 WeakPolarHBondContact O-CB 3.31Å; L350-Q366 PolarHBondContact O-NE2 2.79Å; E352-Q366 PolarHBondContact OE2-NE2 3.13Å; E352-Q366 PolarHBondContact OE2-OE1 3.09Å; E360-Q366 HydrophobicContact CB-CG 4.07Å; E360-Q366 HydrophobicContact CG-CB 4.14Å; E360-Q366 HydrophobicContact CG-CG 3.94Å; E360-Q366 WeakPolarHBondContact OE1-CB 3.38Å; E360-Q366 PolarHBondContact OE1-N 2.95Å; T362-Q366 WeakPolarHBondContact OG1-CG 3.36Å; T362-Q366 PolarHBondContact OG1-OE1 2.91Å; F364-Q366 VanDerWaalsContact O-CG 3.31Å; F364-Q366 WeakPolarHBondContact O-CG 3.31Å; F364-Q366 PolarHBondContact O-N 2.77Å; Q366-K368 VanDerWaalsContact C-N 3.26Å
367	S	90.7	Very high	91.7	Very high	11 Å²	11	51 Å²	51	8%	0.077	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.5	174.5	75.9	0	0	0	0	112.6	S201 I349 D365	S201-S367 WeakPolarHBondContact CB-O 3.17Å; S201-S367 PolarHBondContact OG-O 2.94Å; S201-S367 VanDerWaalsContact OG-O 3.08Å; I349-S367 WeakPolarHBondContact CG1-O 3.45Å; I349-S367 WeakPolarHBondContact CG2-O 3.46Å; D365-S367 VanDerWaalsContact C-N 3.27Å; D365-S367 PolarHBondContact O-N 3.08Å; D365-S367 VanDerWaalsContact OD1-CB 3.27Å; D365-S367 WeakPolarHBondContact OD1-CB 3.49Å; D365-S367 PolarHBondContact OD1-N 3.21Å; D365-S367 PolarHBondContact OD1-OG 3.06Å; D365-S367 PolarHBondContact OD2-OG 3.2Å
368	K	93.4	Very high	92.2	Very high	124 Å²	124	54.5 Å²	54.5	54%	0.539	27%	0.266	S	S	.	.	S	Bend	trans	-79.6	138.9	179.2	-69.3	175.9	-179.8	169.9	0	111.8	D365 Q366 T370	D365-K368 WeakPolarHBondContact OD2-CD 3.38Å; D365-K368 WeakPolarHBondContact OD2-CE 3.48Å; D365-K368 IonicContact OD2-NZ 2.74Å; Q366-K368 VanDerWaalsContact C-N 3.26Å; K368-T370 HydrophobicContact CB-CG2 4.45Å; K368-T370 PolarHBondContact O-N 3.24Å
369	P	95.3	Very high	92.5	Very high	56 Å²	56	58.4 Å²	58.4	36%	0.364	27%	0.271	S	S	.	.			trans	-61.3	117.2	168.6	-23.5	33.7	0	0	0	111.5	V205 V343 R347 I349	V205-P369 HydrophobicContact CG2-CG 4.32Å; V343-P369 HydrophobicContact CG2-CB 3.76Å; V343-P369 HydrophobicContact CG2-CG 4.08Å; R347-P369 HydrophobicContact CB-CB 4.02Å; R347-P369 HydrophobicContact CG-CB 4.48Å; I349-P369 HydrophobicContact CD1-CG 4.03Å; I349-P369 HydrophobicContact CG1-CB 4.29Å; I349-P369 HydrophobicContact CG1-CG 3.84Å
370	T	96.4	Very high	92.8	Very high	25 Å²	25	62.6 Å²	62.6	15%	0.153	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-128.7	151.9	-177.8	60.1	0	0	0	0	113.2	R347 V348 K368 W372 A373	R347-T370 WeakPolarHBondContact CA-O 3.06Å; V348-T370 PolarHBondContact N-O 3.32Å; V348-T370 PolarHBondContact O-N 3.27Å; K368-T370 HydrophobicContact CB-CG2 4.45Å; K368-T370 PolarHBondContact O-N 3.24Å; T370-W372 VanDerWaalsContact CB-CD1 3.49Å; T370-W372 PolarHBondContact OG1-NE1 2.98Å; T370-A373 WeakPolarHBondContact OG1-CB 3.35Å; T370-A373 PolarHBondContact OG1-N 3.39Å
371	Y	96.3	Very high	93	Very high	118 Å²	118	63.2 Å²	63.2	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-74.6	-36.5	175.1	-172.5	-121.6	0	0	0	112	N346 A373 Y374 L375	N346-Y371 HydrophobicContact CB-CD2 4.11Å; N346-Y371 HydrophobicContact CB-CE2 4.1Å; N346-Y371 VanDerWaalsContact O-CD2 3.32Å; N346-Y371 WeakPolarHBondContact O-CD2 3.24Å; Y371-A373 VanDerWaalsContact C-N 3.34Å; Y371-A373 PolarHBondContact O-N 3.19Å; Y371-Y374 HydrophobicContact CD2-CD1 4.03Å; Y371-Y374 AromaticContact CE2-CD1 3.85Å; Y371-Y374 HydrophobicContact CE2-CD1 3.85Å; Y371-Y374 HydrophobicContact CE2-CE1 4.17Å; Y371-Y374 WeakPolarHBondContact O-CA 3.36Å; Y371-Y374 VanDerWaalsContact O-CB 3.27Å; Y371-Y374 WeakPolarHBondContact O-CB 3.28Å; Y371-Y374 PolarHBondContact O-N 2.65Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; Y371-L375 HydrophobicContact CD1-CD1 3.94Å; Y371-L375 HydrophobicContact CD1-CG 4.2Å; Y371-L375 HydrophobicContact CE1-CD1 3.62Å; Y371-L375 HydrophobicContact CE1-CD2 4.06Å; Y371-L375 HydrophobicContact CE1-CG 3.89Å; Y371-L375 HydrophobicContact CE2-CD2 4.29Å; Y371-L375 HydrophobicContact CE2-CG 4.47Å; Y371-L375 PolarHBondContact O-N 3.09Å
372	W	95.1	Very high	93.1	Very high	87 Å²	87	64.4 Å²	64.4	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-42	179.2	72.6	-103.6	0	0	0	111.2	L350 T362 T370 Y374 L375 M376	L350-W372 HydrophobicContact CD2-CH2 3.81Å; L350-W372 HydrophobicContact CD2-CZ3 4.18Å; T362-W372 HydrophobicContact CG2-CH2 3.83Å; T362-W372 HydrophobicContact CG2-CZ3 4.16Å; T370-W372 VanDerWaalsContact CB-CD1 3.49Å; T370-W372 PolarHBondContact OG1-NE1 2.98Å; W372-Y374 PolarHBondContact O-N 3.03Å; W372-L375 PolarHBondContact O-N 3.08Å; W372-M376 HydrophobicContact CZ3-CE 4.1Å; W372-M376 HydrophobicContact CZ3-SD 4.03Å; W372-M376 WeakPolarHBondContact O-CB 3.27Å; W372-M376 PolarHBondContact O-N 3.47Å
373	A	95.4	Very high	93.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-31.3	177.8	0	0	0	0	0	111	V348 L350 T370 Y371 K377	V348-A373 HydrophobicContact CB-CB 3.88Å; V348-A373 HydrophobicContact CG1-CB 3.92Å; L350-A373 HydrophobicContact CB-CB 4.26Å; T370-A373 WeakPolarHBondContact OG1-CB 3.35Å; T370-A373 PolarHBondContact OG1-N 3.39Å; Y371-A373 VanDerWaalsContact C-N 3.34Å; Y371-A373 PolarHBondContact O-N 3.19Å; A373-K377 WeakPolarHBondContact O-CB 3.42Å; A373-K377 PolarHBondContact O-N 2.77Å
374	Y	96.3	Very high	93.9	Very high	26 Å²	26	64.2 Å²	64.2	10%	0.102	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-49.1	171.8	168.6	-92.3	0	0	0	112.1	T345 V348 Y371 W372 M376 K377 R378	T345-Y374 WeakPolarHBondContact O-CE2 3.37Å; T345-Y374 PolarHBondContact O-OH 2.97Å; V348-Y374 HydrophobicContact CG2-CD2 4.23Å; Y371-Y374 HydrophobicContact CD2-CD1 4.03Å; Y371-Y374 AromaticContact CE2-CD1 3.85Å; Y371-Y374 HydrophobicContact CE2-CD1 3.85Å; Y371-Y374 HydrophobicContact CE2-CE1 4.17Å; Y371-Y374 WeakPolarHBondContact O-CA 3.36Å; Y371-Y374 VanDerWaalsContact O-CB 3.27Å; Y371-Y374 WeakPolarHBondContact O-CB 3.28Å; Y371-Y374 PolarHBondContact O-N 2.65Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; W372-Y374 PolarHBondContact O-N 3.03Å; Y374-M376 VanDerWaalsContact C-N 3.31Å; Y374-M376 PolarHBondContact O-N 2.63Å; Y374-K377 PolarHBondContact O-N 2.78Å; Y374-R378 VanDerWaalsContact CZ-CD 3.5Å; Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.76Å; Y374-R378 WeakPolarHBondContact OH-CD 3.37Å; Y374-R378 PolarHBondContact OH-NH1 2.9Å
375	L	95.6	Very high	94.2	Very high	61 Å²	61	62.4 Å²	62.4	32%	0.319	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-44.3	176.3	-68	179.6	0	0	0	111.2	Y371 W372 K377 R378 Y379	Y371-L375 HydrophobicContact CD1-CD1 3.94Å; Y371-L375 HydrophobicContact CD1-CG 4.2Å; Y371-L375 HydrophobicContact CE1-CD1 3.62Å; Y371-L375 HydrophobicContact CE1-CD2 4.06Å; Y371-L375 HydrophobicContact CE1-CG 3.89Å; Y371-L375 HydrophobicContact CE2-CD2 4.29Å; Y371-L375 HydrophobicContact CE2-CG 4.47Å; Y371-L375 PolarHBondContact O-N 3.09Å; W372-L375 PolarHBondContact O-N 3.08Å; L375-K377 PolarHBondContact O-N 2.83Å; L375-R378 PolarHBondContact O-N 3.23Å; L375-Y379 HydrophobicContact CD2-CD2 3.89Å; L375-Y379 HydrophobicContact CD2-CE2 3.7Å; L375-Y379 WeakPolarHBondContact O-CB 3.48Å; L375-Y379 PolarHBondContact O-N 3.15Å
376	M	94.4	Very high	94.4	Very high	37 Å²	37	62.3 Å²	62.3	18%	0.182	29%	0.286	C	S	.	.	I	π-helix	trans	-58.3	-50	175.7	-176.4	-166.5	61.7	0	0	111	L350 W372 Y374 R378 F380 M381	L350-M376 HydrophobicContact CD1-CE 3.71Å; L350-M376 HydrophobicContact CD2-CE 3.4Å; L350-M376 VanDerWaalsContact CD2-CE 3.4Å; L350-M376 HydrophobicContact CD2-SD 4.34Å; L350-M376 HydrophobicContact CG-CE 4.11Å; W372-M376 HydrophobicContact CZ3-CE 4.1Å; W372-M376 HydrophobicContact CZ3-SD 4.03Å; W372-M376 WeakPolarHBondContact O-CB 3.27Å; W372-M376 PolarHBondContact O-N 3.47Å; Y374-M376 VanDerWaalsContact C-N 3.31Å; Y374-M376 PolarHBondContact O-N 2.63Å; M376-R378 PolarHBondContact O-N 3.42Å; M376-F380 HydrophobicContact CG-CB 4.25Å; M376-F380 HydrophobicContact CG-CD1 3.82Å; M376-F380 HydrophobicContact CG-CG 4.42Å; M376-F380 WeakPolarHBondContact O-CB 3.4Å; M376-F380 PolarHBondContact O-N 3.27Å; M376-F380 VanDerWaalsContact O-N 3.13Å; M376-M381 HydrophobicContact CE-CE 3.5Å; M376-M381 VanDerWaalsContact CE-CE 3.5Å; M376-M381 HydrophobicContact CG-CG 4.49Å; M376-M381 PolarHBondContact O-N 2.94Å; M376-M381 HydrophobicContact SD-CE 4.17Å
377	K	94.2	Very high	94.4	Very high	76 Å²	76	66.9 Å²	66.9	33%	0.33	31%	0.31	S	S	.	.	I	π-helix	trans	-67.9	-32.3	-179.9	177.8	-99	174.9	-78	0	113.6	P340 V342 V348 A373 Y374 L375 M381	P340-K377 HydrophobicContact CB-CB 4.22Å; P340-K377 HydrophobicContact CB-CG 3.74Å; P340-K377 HydrophobicContact CG-CG 4.47Å; V342-K377 HydrophobicContact CG2-CD 3.74Å; V342-K377 VanDerWaalsContact CG2-CE 3.43Å; V348-K377 HydrophobicContact CG2-CB 4.35Å; V348-K377 HydrophobicContact CG2-CD 4.32Å; A373-K377 WeakPolarHBondContact O-CB 3.42Å; A373-K377 PolarHBondContact O-N 2.77Å; Y374-K377 PolarHBondContact O-N 2.78Å; L375-K377 PolarHBondContact O-N 2.83Å; K377-M381 HydrophobicContact CB-SD 4.22Å; K377-M381 HydrophobicContact CG-SD 4.44Å
378	R	93.5	Very high	94.6	Very high	94 Å²	94	66.7 Å²	66.7	36%	0.355	31%	0.31	S	S	.	.	I	π-helix	trans	-84.6	-38.7	-175.8	-179.7	170.6	170.2	166	-3.9	112.7	M1 Y374 L375 M376 P382	M1-R378 HydrophobicContact CE-CG 4.26Å; Y374-R378 VanDerWaalsContact CZ-CD 3.5Å; Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.76Å; Y374-R378 WeakPolarHBondContact OH-CD 3.37Å; Y374-R378 PolarHBondContact OH-NH1 2.9Å; L375-R378 PolarHBondContact O-N 3.23Å; M376-R378 PolarHBondContact O-N 3.42Å; R378-P382 WeakPolarHBondContact O-CG 3.42Å
379	Y	93.4	Very high	94.5	Very high	129 Å²	129	61.8 Å²	61.8	51%	0.506	29%	0.289	S	S	.	.	I	π-helix	trans	-118.2	-47.4	-170.2	-58.9	-67.8	0	0	0	113	L375	L375-Y379 HydrophobicContact CD2-CD2 3.89Å; L375-Y379 HydrophobicContact CD2-CE2 3.7Å; L375-Y379 WeakPolarHBondContact O-CB 3.48Å; L375-Y379 PolarHBondContact O-N 3.15Å
380	F	94.4	Very high	94.3	Very high	118 Å²	118	62.1 Å²	62.1	52%	0.518	29%	0.287	S	S	.	.	I	π-helix	trans	-72.7	-48.4	-176.3	176	-102.1	0	0	0	112.7	M376 A383 L384	M376-F380 HydrophobicContact CG-CB 4.25Å; M376-F380 HydrophobicContact CG-CD1 3.82Å; M376-F380 HydrophobicContact CG-CG 4.42Å; M376-F380 WeakPolarHBondContact O-CB 3.4Å; M376-F380 PolarHBondContact O-N 3.27Å; M376-F380 VanDerWaalsContact O-N 3.13Å; F380-A383 WeakPolarHBondContact O-CB 3.48Å; F380-A383 PolarHBondContact O-N 2.83Å; F380-A383 VanDerWaalsContact O-N 3.12Å; F380-L384 HydrophobicContact CE1-CB 4.35Å; F380-L384 HydrophobicContact CE1-CD2 3.86Å; F380-L384 HydrophobicContact CZ-CB 4.49Å; F380-L384 HydrophobicContact CZ-CD2 4.3Å; F380-L384 WeakPolarHBondContact O-CB 2.92Å; F380-L384 PolarHBondContact O-N 3.09Å
381	M	94.3	Very high	94	Very high	60 Å²	60	66.4 Å²	66.4	30%	0.296	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-41	-177.1	-76.1	-178.9	169.7	0	0	113.6	P340 L350 M376 K377 L384 Y385	P340-M381 HydrophobicContact CG-CE 3.98Å; P340-M381 HydrophobicContact CG-SD 3.96Å; L350-M381 HydrophobicContact CD1-CE 4.23Å; M376-M381 HydrophobicContact CE-CE 3.5Å; M376-M381 VanDerWaalsContact CE-CE 3.5Å; M376-M381 HydrophobicContact CG-CG 4.49Å; M376-M381 PolarHBondContact O-N 2.94Å; M376-M381 HydrophobicContact SD-CE 4.17Å; K377-M381 HydrophobicContact CB-SD 4.22Å; K377-M381 HydrophobicContact CG-SD 4.44Å; M381-L384 PolarHBondContact O-N 3.32Å; M381-Y385 WeakPolarHBondContact O-CB 2.95Å; M381-Y385 PolarHBondContact O-N 3.11Å
382	P	94.1	Very high	93.7	Very high	39 Å²	39	62.8 Å²	62.8	25%	0.253	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-42.5	171.5	-27.3	36.7	0	0	0	113.3	R378 Y385 W386	R378-P382 WeakPolarHBondContact O-CG 3.42Å; P382-Y385 WeakPolarHBondContact O-CB 3.17Å; P382-Y385 PolarHBondContact O-N 3.48Å; P382-W386 PolarHBondContact O-N 3.09Å; P382-W386 VanDerWaalsContact O-N 3.12Å
383	A	93.8	Very high	93.5	Very high	46 Å²	46	67.5 Å²	67.5	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-42.6	176.3	0	0	0	0	0	111.7	F380 Y385 W386 N387	F380-A383 WeakPolarHBondContact O-CB 3.48Å; F380-A383 PolarHBondContact O-N 2.83Å; F380-A383 VanDerWaalsContact O-N 3.12Å; A383-Y385 VanDerWaalsContact C-N 3.32Å; A383-Y385 PolarHBondContact O-N 3.16Å; A383-W386 PolarHBondContact O-N 3.43Å; A383-N387 VanDerWaalsContact O-CB 3.31Å; A383-N387 WeakPolarHBondContact O-CB 3.44Å; A383-N387 PolarHBondContact O-N 3.05Å; A383-N387 PolarHBondContact O-ND2 2.8Å
384	L	94.9	Very high	93.4	Very high	40 Å²	40	70 Å²	70	21%	0.209	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-36	175	-179.1	64.6	0	0	0	112.2	F380 M381 G388 L389 W394	F380-L384 HydrophobicContact CE1-CB 4.35Å; F380-L384 HydrophobicContact CE1-CD2 3.86Å; F380-L384 HydrophobicContact CZ-CB 4.49Å; F380-L384 HydrophobicContact CZ-CD2 4.3Å; F380-L384 WeakPolarHBondContact O-CB 2.92Å; F380-L384 PolarHBondContact O-N 3.09Å; M381-L384 PolarHBondContact O-N 3.32Å; L384-G388 CarbonylContact O-C 3.59Å; L384-G388 WeakPolarHBondContact O-CA 3.12Å; L384-G388 PolarHBondContact O-N 2.87Å; L384-L389 PolarHBondContact O-N 3.49Å; L384-W394 HydrophobicContact CD1-CB 4.33Å; L384-W394 HydrophobicContact CD1-CD2 3.99Å; L384-W394 HydrophobicContact CD1-CE3 3.97Å; L384-W394 HydrophobicContact CD1-CG 4.14Å; L384-W394 HydrophobicContact CD2-CD2 3.99Å; L384-W394 HydrophobicContact CD2-CE3 4.39Å; L384-W394 HydrophobicContact CD2-CG 4.38Å; L384-W394 HydrophobicContact CD2-CH2 4.46Å; L384-W394 HydrophobicContact CD2-CZ2 4.1Å; L384-W394 HydrophobicContact CG-CD2 4.3Å; L384-W394 HydrophobicContact CG-CG 4.31Å
385	Y	94.5	Very high	93.1	Very high	92 Å²	92	70.9 Å²	70.9	36%	0.361	34%	0.338	S	S	.	.	I	π-helix	trans	-62.2	-53.9	176.1	174.5	-94.8	0	0	0	111.1	M381 P382 A383 L389 I390	M381-Y385 WeakPolarHBondContact O-CB 2.95Å; M381-Y385 PolarHBondContact O-N 3.11Å; P382-Y385 WeakPolarHBondContact O-CB 3.17Å; P382-Y385 PolarHBondContact O-N 3.48Å; A383-Y385 VanDerWaalsContact C-N 3.32Å; A383-Y385 PolarHBondContact O-N 3.16Å; Y385-L389 HydrophobicContact CD2-CB 4.46Å; Y385-L389 HydrophobicContact CD2-CD2 3.78Å; Y385-L389 HydrophobicContact CE2-CD2 4.08Å; Y385-L389 PolarHBondContact O-N 2.87Å; Y385-I390 HydrophobicContact CD1-CG1 4.16Å; Y385-I390 HydrophobicContact CD2-CG1 4.47Å; Y385-I390 HydrophobicContact CE1-CD1 4.16Å; Y385-I390 HydrophobicContact CE1-CG1 3.73Å; Y385-I390 HydrophobicContact CE2-CD1 4.01Å; Y385-I390 HydrophobicContact CE2-CG1 4.07Å; Y385-I390 WeakPolarHBondContact O-CG1 3.46Å; Y385-I390 PolarHBondContact O-N 2.73Å; Y385-I390 WeakPolarHBondContact OH-CD1 3.4Å
386	W	93.5	Very high	92.8	Very high	68 Å²	68	68.2 Å²	68.2	26%	0.258	33%	0.325	S	S	.	.	I	π-helix	trans	-72	-38.6	-176.1	-69.4	120.5	0	0	0	113.6	G8 L13 P382 A383	G8-W386 VanDerWaalsContact N-CH2 3.34Å; L13-W386 HydrophobicContact CD1-CH2 4.34Å; L13-W386 HydrophobicContact CD1-CZ3 3.65Å; L13-W386 HydrophobicContact CD2-CE3 4.02Å; L13-W386 HydrophobicContact CD2-CZ3 3.72Å; L13-W386 HydrophobicContact CG-CZ3 4.32Å; P382-W386 PolarHBondContact O-N 3.09Å; P382-W386 VanDerWaalsContact O-N 3.12Å; A383-W386 PolarHBondContact O-N 3.43Å
387	N	93.1	Very high	92.6	Very high	98 Å²	98	66.9 Å²	66.9	52%	0.524	32%	0.319	S	S	.	.	I	π-helix	trans	-97.1	-15.5	-175.5	-65	-55.2	0	0	0	114.1	A383 K391	A383-N387 VanDerWaalsContact O-CB 3.31Å; A383-N387 WeakPolarHBondContact O-CB 3.44Å; A383-N387 PolarHBondContact O-N 3.05Å; A383-N387 PolarHBondContact O-ND2 2.8Å; N387-K391 PolarHBondContact OD1-NZ 2.76Å
388	G	93.9	Very high	92.4	Very high	6 Å²	6	63.7 Å²	63.7	6%	0.062	31%	0.307	C	S	.	.	I	π-helix	trans	-115.9	-72.4	-178.6	0	0	0	0	0	112.1	L384 I390 K391 G392 Y393	L384-G388 CarbonylContact O-C 3.59Å; L384-G388 WeakPolarHBondContact O-CA 3.12Å; L384-G388 PolarHBondContact O-N 2.87Å; G388-I390 PolarHBondContact O-N 2.75Å; G388-K391 CarbonylContact O-C 3.59Å; G388-K391 PolarHBondContact O-N 3.16Å; G388-G392 PolarHBondContact O-N 2.68Å; G388-G392 VanDerWaalsContact O-N 3.16Å; G388-Y393 PolarHBondContact O-N 3.2Å
389	L	92.8	Very high	92	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.11	32%	0.317	C	S	.	.	I	π-helix	trans	-59.3	-50.7	-169.3	-177.8	63.9	0	0	0	112.7	L313 L384 Y385 K391 G392 W394	L313-L389 HydrophobicContact CD1-CD1 3.69Å; L384-L389 PolarHBondContact O-N 3.49Å; Y385-L389 HydrophobicContact CD2-CB 4.46Å; Y385-L389 HydrophobicContact CD2-CD2 3.78Å; Y385-L389 HydrophobicContact CE2-CD2 4.08Å; Y385-L389 PolarHBondContact O-N 2.87Å; L389-K391 PolarHBondContact O-N 3.35Å; L389-G392 PolarHBondContact O-N 3.27Å; L389-G392 VanDerWaalsContact O-N 3.13Å; L389-W394 HydrophobicContact CB-CB 4.44Å
390	I	91.1	Very high	91.8	Very high	63 Å²	63	61.6 Å²	61.6	32%	0.323	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.9	-178	-67	-67.5	0	0	0	112.3	L13 Y385 G388 G392	L13-I390 HydrophobicContact CB-CG2 4.06Å; L13-I390 HydrophobicContact CD2-CG2 4.08Å; L13-I390 HydrophobicContact CG-CG2 4.45Å; Y385-I390 HydrophobicContact CD1-CG1 4.16Å; Y385-I390 HydrophobicContact CD2-CG1 4.47Å; Y385-I390 HydrophobicContact CE1-CD1 4.16Å; Y385-I390 HydrophobicContact CE1-CG1 3.73Å; Y385-I390 HydrophobicContact CE2-CD1 4.01Å; Y385-I390 HydrophobicContact CE2-CG1 4.07Å; Y385-I390 WeakPolarHBondContact O-CG1 3.46Å; Y385-I390 PolarHBondContact O-N 2.73Å; Y385-I390 WeakPolarHBondContact OH-CD1 3.4Å; G388-I390 PolarHBondContact O-N 2.75Å; I390-G392 VanDerWaalsContact C-N 3.29Å
391	K	90.1	Very high	91.6	Very high	115 Å²	115	56.3 Å²	56.3	50%	0.5	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.7	177.9	-60.8	-176.3	-176.5	170.4	0	113.2	N387 G388 L389 Y393	N387-K391 PolarHBondContact OD1-NZ 2.76Å; G388-K391 CarbonylContact O-C 3.59Å; G388-K391 PolarHBondContact O-N 3.16Å; L389-K391 PolarHBondContact O-N 3.35Å; K391-Y393 VanDerWaalsContact C-N 3.29Å; K391-Y393 HydrophobicContact CB-CD2 3.53Å; K391-Y393 HydrophobicContact CB-CE2 3.57Å; K391-Y393 HydrophobicContact CB-CG 4.35Å; K391-Y393 HydrophobicContact CD-CD2 4.32Å; K391-Y393 HydrophobicContact CD-CE2 4.02Å; K391-Y393 HydrophobicContact CG-CE2 4.42Å; K391-Y393 PolarHBondContact O-N 2.88Å
392	G	89.4	Confident	91.2	Very high	42 Å²	42	58 Å²	58	43%	0.433	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	10.5	-178.2	0	0	0	0	0	114.8	G388 L389 I390	G388-G392 PolarHBondContact O-N 2.68Å; G388-G392 VanDerWaalsContact O-N 3.16Å; L389-G392 PolarHBondContact O-N 3.27Å; L389-G392 VanDerWaalsContact O-N 3.13Å; I390-G392 VanDerWaalsContact C-N 3.29Å
393	Y	91	Very high	90.7	Very high	187 Å²	187	59.6 Å²	59.6	73%	0.733	31%	0.312	S	S	*	.			trans	-89.9	-0.6	179.9	-55.7	-46.6	0	0	0	113.7	G388 K391	G388-Y393 PolarHBondContact O-N 3.2Å; K391-Y393 VanDerWaalsContact C-N 3.29Å; K391-Y393 HydrophobicContact CB-CD2 3.53Å; K391-Y393 HydrophobicContact CB-CE2 3.57Å; K391-Y393 HydrophobicContact CB-CG 4.35Å; K391-Y393 HydrophobicContact CD-CD2 4.32Å; K391-Y393 HydrophobicContact CD-CE2 4.02Å; K391-Y393 HydrophobicContact CG-CE2 4.42Å; K391-Y393 PolarHBondContact O-N 2.88Å
394	W	92.4	Very high	90.2	Very high	53 Å²	53	59.2 Å²	59.2	20%	0.201	31%	0.305	C	S	.	.			trans	-127.3	109	-179.4	178.9	-102.9	0	0	0	112.3	L384 L389 G396 P397 L400	L384-W394 HydrophobicContact CD1-CB 4.33Å; L384-W394 HydrophobicContact CD1-CD2 3.99Å; L384-W394 HydrophobicContact CD1-CE3 3.97Å; L384-W394 HydrophobicContact CD1-CG 4.14Å; L384-W394 HydrophobicContact CD2-CD2 3.99Å; L384-W394 HydrophobicContact CD2-CE3 4.39Å; L384-W394 HydrophobicContact CD2-CG 4.38Å; L384-W394 HydrophobicContact CD2-CH2 4.46Å; L384-W394 HydrophobicContact CD2-CZ2 4.1Å; L384-W394 HydrophobicContact CG-CD2 4.3Å; L384-W394 HydrophobicContact CG-CG 4.31Å; L389-W394 HydrophobicContact CB-CB 4.44Å; W394-G396 VanDerWaalsContact CZ2-C 3.48Å; W394-P397 HydrophobicContact CH2-CB 3.98Å; W394-P397 HydrophobicContact CZ2-CB 3.86Å; W394-P397 HydrophobicContact CZ2-CG 4.41Å; W394-L400 HydrophobicContact CH2-CD1 3.81Å; W394-L400 HydrophobicContact CH2-CD2 4.49Å; W394-L400 HydrophobicContact CZ3-CD1 3.74Å
395	N	90.6	Very high	89.5	Confident	44 Å²	44	63.8 Å²	63.8	24%	0.235	32%	0.32	C	S	.	.			trans	-108.8	31.3	-175.9	-82.3	-15.9	0	0	0	112.7	S310 K314 E317	S310-N395 CarbonylContact O-C 3.58Å; S310-N395 WeakPolarHBondContact O-CA 3.13Å; K314-N395 HydrophobicContact CB-CB 3.9Å; K314-N395 HydrophobicContact CG-CB 4.21Å; E317-N395 PolarHBondContact OE2-ND2 3.44Å
396	G	89.4	Confident	88.5	Confident	5 Å²	5	65.2 Å²	65.2	5%	0.052	33%	0.333	C	S	.	.			trans	84.1	167.5	-179.1	0	0	0	0	0	114.3	S310 W394 A398	S310-G396 VanDerWaalsContact OG-CA 3.22Å; S310-G396 WeakPolarHBondContact OG-CA 3.27Å; W394-G396 VanDerWaalsContact CZ2-C 3.48Å; G396-A398 VanDerWaalsContact C-N 3.26Å; G396-A398 PolarHBondContact O-N 2.6Å
397	P	91.3	Very high	87.2	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.058	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	11.3	-169	31.8	-32.6	0	0	0	114.5	Y336 T361 W394 T399 L400 R401	Y336-P397 HydrophobicContact CE1-CG 3.87Å; Y336-P397 HydrophobicContact CE2-CG 3.98Å; Y336-P397 WeakPolarHBondContact OH-CG 2.78Å; T361-P397 HydrophobicContact CG2-CB 3.7Å; T361-P397 WeakPolarHBondContact OG1-CB 3.46Å; T361-P397 WeakPolarHBondContact OG1-CG 3.17Å; W394-P397 HydrophobicContact CH2-CB 3.98Å; W394-P397 HydrophobicContact CZ2-CB 3.86Å; W394-P397 HydrophobicContact CZ2-CG 4.41Å; P397-T399 VanDerWaalsContact C-N 3.26Å; P397-T399 PolarHBondContact O-N 3.45Å; P397-L400 PolarHBondContact O-N 3.49Å; P397-L400 VanDerWaalsContact O-N 3.11Å; P397-R401 WeakPolarHBondContact O-CB 3.36Å; P397-R401 PolarHBondContact O-N 2.88Å
398	A	88.8	Confident	85.5	Confident	9 Å²	9	69.8 Å²	69.8	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-56.8	-39.3	-176.2	0	0	0	0	0	112.9	G396 R401 N402	G396-A398 VanDerWaalsContact C-N 3.26Å; G396-A398 PolarHBondContact O-N 2.6Å; A398-R401 PolarHBondContact O-N 3.46Å; A398-N402 VanDerWaalsContact O-CG 3.29Å; A398-N402 PolarHBondContact O-N 3.25Å; A398-N402 VanDerWaalsContact O-N 3.07Å
399	T	85.8	Confident	83.6	Confident	93 Å²	93	73.9 Å²	73.9	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-47.9	176.3	-52.4	0	0	0	0	111.2	P397 R401 N402 C403	P397-T399 VanDerWaalsContact C-N 3.26Å; P397-T399 PolarHBondContact O-N 3.45Å; T399-R401 VanDerWaalsContact C-N 3.31Å; T399-R401 PolarHBondContact O-N 2.57Å; T399-N402 PolarHBondContact O-N 3.03Å; T399-C403 PolarHBondContact O-N 3.07Å; T399-C403 VanDerWaalsContact O-N 3.11Å; T399-C403 PolarHBondContact O-SG 3.18Å; T399-C403 VanDerWaalsContact O-SG 3.34Å
400	L	87.7	Confident	81.2	Confident	85 Å²	85	84.5 Å²	84.5	45%	0.445	43%	0.432	S	S	.	.	H	α-helix	trans	-60	-43.7	177.3	-78.1	78.9	0	0	0	111.2	T361 W394 P397 N402 C403 T404	T361-L400 HydrophobicContact CG2-CB 3.97Å; W394-L400 HydrophobicContact CH2-CD1 3.81Å; W394-L400 HydrophobicContact CH2-CD2 4.49Å; W394-L400 HydrophobicContact CZ3-CD1 3.74Å; P397-L400 PolarHBondContact O-N 3.49Å; P397-L400 VanDerWaalsContact O-N 3.11Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.07Å; L400-C403 WeakPolarHBondContact O-CB 3.45Å; L400-C403 PolarHBondContact O-N 2.98Å; L400-T404 WeakPolarHBondContact O-CG2 3.44Å; L400-T404 PolarHBondContact O-N 2.88Å; L400-T404 PolarHBondContact O-OG1 3.28Å
401	R	90.6	Very high	80.7	Confident	8 Å²	8	85.6 Å²	85.6	3%	0.03	44%	0.438	C	S	.	.	H	α-helix	trans	-59	-39.9	177.7	-171.3	-175.9	-36.6	116.9	2.3	112.6	Y336 M359 E360 P397 A398 T399 T404 R405	Y336-R401 VanDerWaalsContact CE2-NH2 3.27Å; M359-R401 PolarHBondContact O-NE 3.12Å; M359-R401 VanDerWaalsContact O-NE 3.16Å; E360-R401 WeakPolarHBondContact O-CG 3.24Å; P397-R401 WeakPolarHBondContact O-CB 3.36Å; P397-R401 PolarHBondContact O-N 2.88Å; A398-R401 PolarHBondContact O-N 3.46Å; T399-R401 VanDerWaalsContact C-N 3.31Å; T399-R401 PolarHBondContact O-N 2.57Å; R401-T404 WeakPolarHBondContact CA-OG1 3.29Å; R401-T404 PolarHBondContact O-OG1 3.32Å; R401-R405 WeakPolarHBondContact O-CB 3.14Å; R401-R405 VanDerWaalsContact O-CG 3.26Å; R401-R405 WeakPolarHBondContact O-CG 3.41Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 VanDerWaalsContact O-N 3.14Å
402	N	86.1	Confident	80.2	Confident	95 Å²	95	84.1 Å²	84.1	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-67.9	-41.6	177.4	-70.1	-13.7	0	0	0	110.9	A398 T399 L400 R405 L406	A398-N402 VanDerWaalsContact O-CG 3.29Å; A398-N402 PolarHBondContact O-N 3.25Å; A398-N402 VanDerWaalsContact O-N 3.07Å; T399-N402 PolarHBondContact O-N 3.03Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.07Å; N402-R405 PolarHBondContact O-N 2.91Å; N402-L406 WeakPolarHBondContact O-CG 3.13Å; N402-L406 PolarHBondContact O-N 3.16Å
403	C	84.4	Confident	79.7	Confident	72 Å²	72	86.4 Å²	86.4	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-44.5	175.5	-63.4	0	0	0	0	112.4	T399 L400 R405 L406 V407	T399-C403 PolarHBondContact O-N 3.07Å; T399-C403 VanDerWaalsContact O-N 3.11Å; T399-C403 PolarHBondContact O-SG 3.18Å; T399-C403 VanDerWaalsContact O-SG 3.34Å; L400-C403 WeakPolarHBondContact O-CB 3.45Å; L400-C403 PolarHBondContact O-N 2.98Å; C403-R405 VanDerWaalsContact C-N 3.34Å; C403-R405 PolarHBondContact O-N 3.27Å; C403-L406 PolarHBondContact O-N 3.18Å; C403-V407 PolarHBondContact O-N 2.82Å
404	T	82.4	Confident	79	Confident	39 Å²	39	80.5 Å²	80.5	24%	0.239	42%	0.417	C	S	.	.	H	α-helix	trans	-67.6	-33.1	-179.5	55.3	0	0	0	0	112.7	T361 L400 R401 V407 K408	T361-T404 PolarHBondContact O-OG1 3.38Å; L400-T404 WeakPolarHBondContact O-CG2 3.44Å; L400-T404 PolarHBondContact O-N 2.88Å; L400-T404 PolarHBondContact O-OG1 3.28Å; R401-T404 WeakPolarHBondContact CA-OG1 3.29Å; R401-T404 PolarHBondContact O-OG1 3.32Å; T404-V407 PolarHBondContact O-N 2.99Å; T404-K408 PolarHBondContact O-N 2.99Å
405	R	81.6	Confident	78.2	Confident	135 Å²	135	82.2 Å²	82.2	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-35.2	175.2	-75.6	174.7	179.9	-170.8	-2.7	112.9	R401 N402 C403 V407 K408 S409	R401-R405 WeakPolarHBondContact O-CB 3.14Å; R401-R405 VanDerWaalsContact O-CG 3.26Å; R401-R405 WeakPolarHBondContact O-CG 3.41Å; R401-R405 PolarHBondContact O-N 2.96Å; R401-R405 VanDerWaalsContact O-N 3.14Å; N402-R405 PolarHBondContact O-N 2.91Å; C403-R405 VanDerWaalsContact C-N 3.34Å; C403-R405 PolarHBondContact O-N 3.27Å; R405-V407 VanDerWaalsContact C-N 3.25Å; R405-V407 PolarHBondContact O-N 3.33Å; R405-K408 PolarHBondContact O-N 3Å; R405-S409 PolarHBondContact O-N 2.66Å
406	L	73.4	Confident	77.3	Confident	123 Å²	123	84.7 Å²	84.7	64%	0.644	44%	0.444	S	S	*	.	H	α-helix	trans	-65.3	-29.9	175.3	-68.7	170.2	0	0	0	112.6	N402 C403 S409	N402-L406 WeakPolarHBondContact O-CG 3.13Å; N402-L406 PolarHBondContact O-N 3.16Å; C403-L406 PolarHBondContact O-N 3.18Å; L406-S409 PolarHBondContact O-OG 3.29Å; L406-S409 VanDerWaalsContact O-OG 3.13Å
407	V	66.3	Low	76.5	Confident	113 Å²	113	90.4 Å²	90.4	69%	0.685	47%	0.472	S	S	*	.	H	α-helix	trans	-75.4	-30.6	176.4	178.5	0	0	0	0	111.7	C403 T404 R405	C403-V407 PolarHBondContact O-N 2.82Å; T404-V407 PolarHBondContact O-N 2.99Å; R405-V407 VanDerWaalsContact C-N 3.25Å; R405-V407 PolarHBondContact O-N 3.33Å
408	K	57.5	Low	75.3	Confident	149 Å²	149	96.7 Å²	96.7	65%	0.648	50%	0.503	S	S	*	.	H	α-helix	trans	-83.3	-14.5	-178.8	-162.2	171.6	-177.9	168	0	113.8	P363 T404 R405	P363-K408 PolarHBondContact O-NZ 3.34Å; T404-K408 PolarHBondContact O-N 2.99Å; R405-K408 PolarHBondContact O-N 3Å
409	S	52.8	Low	74.2	Confident	92 Å²	92	104 Å²	104	64%	0.643	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	3.7	177.7	61.7	0	0	0	0	114	R405 L406	R405-S409 PolarHBondContact O-N 2.66Å; L406-S409 PolarHBondContact O-OG 3.29Å; L406-S409 VanDerWaalsContact O-OG 3.13Å
410	K	41.8	Very low	73.1	Confident	244 Å²	244	105 Å²	105	100%	1.061	54%	0.536	S	S	*	.			trans	-108.2	0	163.7	-70.5	-173.1	178	-174.4	0	107.8

Retrieved 410 of 410 residues in 551.9 ms (Link to these results)

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