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N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB (Q9VR81), UniProt , Accession X2JFY0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG17065, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	48	Very low	127 Å²	127	119.9 Å²	119.9	63%	0.626	60%	0.595	S	S	*	*				0	99.4	0	-74	173.5	179	0	0	105.6
2	D	48.8	Very low	47.3	Very low	112 Å²	112	112.4 Å²	112.4	60%	0.599	56%	0.562	S	S	*	*			trans	-97	126	178.5	-69.3	-24.1	0	0	0	108.5	R4	D2-R4 PolarHBondContact O-N 2.88Å
3	V	50.8	Low	46.8	Very low	27 Å²	27	118.5 Å²	118.5	16%	0.164	59%	0.588	C	S	.	*			trans	-72.3	110	174.7	177	0	0	0	0	108.7	I70 D71 L395	V3-I70 HydrophobicContact CG1-CG2 3.38Å; V3-D71 WeakPolarHBondContact CA-O 3.22Å; V3-L395 HydrophobicContact CG2-CD2 4.1Å
4	R	58.5	Low	46.4	Very low	177 Å²	177	112.8 Å²	112.8	67%	0.668	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	179.2	-67.6	-176.3	-176.8	-176	1.1	110.1	D2 D71	D2-R4 PolarHBondContact O-N 2.88Å; R4-D71 PolarHBondContact N-O 3.28Å; R4-D71 PolarHBondContact O-N 2.61Å
5	I	56.8	Low	46.1	Very low	88 Å²	88	112.1 Å²	112.1	45%	0.451	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.6	124.4	176.3	-57	175.6	0	0	0	108.2	C68 I70	I5-C68 WeakPolarHBondContact CG2-SG 3.34Å; I5-I70 HydrophobicContact CG1-CG1 4.39Å
6	K	48.5	Very low	45.5	Very low	163 Å²	163	114.8 Å²	114.8	71%	0.709	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.4	109	168	-74.3	-175.2	178.3	-179.7	0	108.7	C68 R69	K6-C68 PolarHBondContact O-SG 3.23Å; K6-C68 VanDerWaalsContact O-SG 3.38Å; K6-R69 PolarHBondContact N-O 3.16Å; K6-R69 PolarHBondContact O-N 2.91Å
7	C	45.2	Very low	45	Very low	69 Å²	69	114.5 Å²	114.5	47%	0.466	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	141	174.9	-60.5	0	0	0	0	111.3	C68	C7-C68 WeakPolarHBondContact CA-SG 3.38Å; C7-C68 HydrophobicContact CB-CB 3.86Å; C7-C68 WeakPolarHBondContact CB-SG 3.45Å; C7-C68 WeakPolarHBondContact SG-CB 3.36Å; C7-C68 CovalentContact SG-SG 2.07Å; C7-C68 PolarHBondContact SG-SG 3.22Å
8	N	43.3	Very low	44.8	Very low	124 Å²	124	114.3 Å²	114.3	66%	0.663	57%	0.572	S	S	*	*			trans	-105.3	75.6	178.7	-73.5	-24.3	0	0	0	110.3	H67	N8-H67 PolarHBondContact N-O 3.23Å
9	S	48.8	Very low	44.4	Very low	80 Å²	80	114.9 Å²	114.9	56%	0.559	58%	0.576	S	S	*	*	S	Bend	trans	167.6	153.6	158.2	53.9	0	0	0	0	112.4
10	E	40.2	Very low	43.9	Very low	187 Å²	187	115.8 Å²	115.8	87%	0.874	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-46.1	139.3	178.5	-64.2	170.7	161.1	0	0	114.2
11	E	39.7	Very low	43.8	Very low	165 Å²	165	111.9 Å²	111.9	77%	0.771	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-71.8	137	-177.8	-73.6	-167.9	150.6	0	0	112.1
12	P	39	Very low	43.9	Very low	30 Å²	30	108.4 Å²	108.4	20%	0.195	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-79.9	141.2	174.8	20.2	-12.6	0	0	0	112.2	S14 Q17 K18 A21	P12-S14 PolarHBondContact O-N 2.92Å; P12-Q17 HydrophobicContact CB-CB 4Å; P12-K18 HydrophobicContact CG-CG 3.85Å; P12-K18 VanDerWaalsContact O-CE 3.28Å; P12-K18 WeakPolarHBondContact O-CE 3.13Å; P12-A21 HydrophobicContact CG-CB 4.39Å
13	E	41.7	Very low	44.1	Very low	192 Å²	192	105.9 Å²	105.9	90%	0.897	55%	0.546	S	S	*	.	S	Bend	trans	-80.7	-2.2	-167	-68.4	-172.9	154.8	0	0	115.4
14	S	40.5	Very low	45	Very low	38 Å²	38	111.9 Å²	111.9	27%	0.266	57%	0.573	S	S	.	*	S	Bend	trans	-138.1	155.1	176.9	93.9	0	0	0	0	115.4	P12 E16 Q17 K18	P12-S14 PolarHBondContact O-N 2.92Å; S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 3.09Å; S14-Q17 PolarHBondContact O-N 3.48Å; S14-Q17 PolarHBondContact OG-N 3.44Å; S14-K18 PolarHBondContact O-N 3.05Å
15	P	41.5	Very low	46.3	Very low	102 Å²	102	107 Å²	107	66%	0.662	55%	0.554	S	S	*	*	H	α-helix	trans	-60.2	-37.7	179.1	-22.8	33.4	0	0	0	114.1	K18 I19	P15-K18 PolarHBondContact O-N 3.36Å; P15-I19 PolarHBondContact O-N 2.56Å
16	E	37	Very low	48.1	Very low	155 Å²	155	102.9 Å²	102.9	72%	0.724	53%	0.533	S	S	*	.	H	α-helix	trans	-70.9	-37.1	179	-68.4	170.6	169.1	0	0	111.3	S14 K18 I19 L20	S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 3.09Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-I19 PolarHBondContact O-N 2.88Å; E16-L20 PolarHBondContact O-N 3Å
17	Q	36.4	Very low	50.4	Low	110 Å²	110	96.4 Å²	96.4	51%	0.514	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-31.7	171.8	-74.1	178.8	-13.4	0	0	112.3	P12 S14 A21	P12-Q17 HydrophobicContact CB-CB 4Å; S14-Q17 PolarHBondContact O-N 3.48Å; S14-Q17 PolarHBondContact OG-N 3.44Å; Q17-A21 WeakPolarHBondContact O-CA 3.46Å; Q17-A21 WeakPolarHBondContact O-CB 3.46Å; Q17-A21 PolarHBondContact O-N 2.81Å
18	K	41.6	Very low	52.8	Low	111 Å²	111	93.6 Å²	93.6	48%	0.483	49%	0.486	S	S	.	.	H	α-helix	trans	-66.5	-35.9	175.5	-79.4	178.4	-180	-178	0	113	P12 S14 P15 E16 S22	P12-K18 HydrophobicContact CG-CG 3.85Å; P12-K18 VanDerWaalsContact O-CE 3.28Å; P12-K18 WeakPolarHBondContact O-CE 3.13Å; S14-K18 PolarHBondContact O-N 3.05Å; P15-K18 PolarHBondContact O-N 3.36Å; E16-K18 VanDerWaalsContact C-N 3.34Å; K18-S22 PolarHBondContact O-N 3.37Å
19	I	37.4	Very low	55.4	Low	126 Å²	126	87.7 Å²	87.7	65%	0.646	45%	0.454	S	S	*	.	H	α-helix	trans	-75.1	-48.3	179.5	-63.8	170.3	0	0	0	110.3	P15 E16 S22	P15-I19 PolarHBondContact O-N 2.56Å; E16-I19 PolarHBondContact O-N 2.88Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 3.38Å; I19-S22 PolarHBondContact O-OG 2.84Å
20	L	34.6	Very low	57.7	Low	133 Å²	133	85.2 Å²	85.2	70%	0.696	44%	0.436	S	S	*	.	H	α-helix	trans	-65	-39.8	175.4	-103.2	121.9	0	0	0	112.7	E16 S22 S23	E16-L20 PolarHBondContact O-N 3Å; L20-S22 PolarHBondContact O-N 3.09Å; L20-S23 PolarHBondContact O-N 2.68Å; L20-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 PolarHBondContact O-OG 3.16Å
21	A	41.7	Very low	60.5	Low	33 Å²	33	80.7 Å²	80.7	27%	0.273	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-16.5	176.4	0	0	0	0	0	113.2	P12 Q17 R25	P12-A21 HydrophobicContact CG-CB 4.39Å; Q17-A21 WeakPolarHBondContact O-CA 3.46Å; Q17-A21 WeakPolarHBondContact O-CB 3.46Å; Q17-A21 PolarHBondContact O-N 2.81Å; A21-R25 WeakPolarHBondContact O-CD 3.46Å; A21-R25 WeakPolarHBondContact O-CG 3.36Å; A21-R25 PolarHBondContact O-NE 2.98Å
22	S	49.9	Very low	63.2	Low	54 Å²	54	73.1 Å²	73.1	38%	0.378	38%	0.383	S	S	.	.	H	α-helix	trans	-76.6	-31.6	172.7	78.9	0	0	0	0	112.5	K18 I19 L20 Q24 R25	K18-S22 PolarHBondContact O-N 3.37Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 3.38Å; I19-S22 PolarHBondContact O-OG 2.84Å; L20-S22 PolarHBondContact O-N 3.09Å; S22-Q24 PolarHBondContact O-N 3.32Å; S22-R25 PolarHBondContact O-N 3.42Å; S22-R25 VanDerWaalsContact O-N 3.14Å
23	S	53.5	Low	66.1	Low	59 Å²	59	73.8 Å²	73.8	41%	0.413	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	17.2	-172.8	70	0	0	0	0	116.1	L20 D49	L20-S23 PolarHBondContact O-N 2.68Å; L20-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 PolarHBondContact O-OG 3.16Å; S23-D49 VanDerWaalsContact O-CG 3.28Å
24	Q	68.6	Low	68.8	Low	153 Å²	153	64.6 Å²	64.6	72%	0.715	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	-1.2	166.9	-71.5	-171.2	-20.8	0	0	112.4	S22 L26 D49	S22-Q24 PolarHBondContact O-N 3.32Å; Q24-L26 PolarHBondContact O-N 3.36Å; Q24-D49 WeakPolarHBondContact CA-OD1 3.3Å; Q24-D49 PolarHBondContact N-OD1 2.98Å
25	R	86.6	Confident	71.5	Confident	75 Å²	75	63.1 Å²	63.1	28%	0.283	33%	0.328	S	S	.	.			trans	-79.6	110.6	-174.9	-84.1	174.1	-172.8	-165.4	-1	109.9	A21 S22 L27 H67	A21-R25 WeakPolarHBondContact O-CD 3.46Å; A21-R25 WeakPolarHBondContact O-CG 3.36Å; A21-R25 PolarHBondContact O-NE 2.98Å; S22-R25 PolarHBondContact O-N 3.42Å; S22-R25 VanDerWaalsContact O-N 3.14Å; R25-L27 PolarHBondContact O-N 3.09Å; R25-H67 HydrophobicContact CB-CB 4.41Å; R25-H67 HydrophobicContact CG-CB 4.16Å
26	L	93.8	Very high	74.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.301	C	S	.	.			trans	-60.8	112	161.7	-174.4	64.8	0	0	0	111.4	Q24 W46 R48 V53 V58 T64 H67 C68	Q24-L26 PolarHBondContact O-N 3.36Å; L26-W46 HydrophobicContact CD1-CE3 3.74Å; L26-W46 HydrophobicContact CD1-CZ3 4.31Å; L26-W46 HydrophobicContact CD2-CE3 4.1Å; L26-W46 HydrophobicContact CD2-CZ3 3.8Å; L26-W46 HydrophobicContact CG-CE3 3.88Å; L26-W46 HydrophobicContact CG-CZ3 3.99Å; L26-R48 HydrophobicContact CD1-CB 4.36Å; L26-V53 HydrophobicContact CD1-CG2 4.11Å; L26-V58 HydrophobicContact CD1-CG1 4.28Å; L26-V58 HydrophobicContact CD2-CG1 3.36Å; L26-V58 HydrophobicContact CG-CG1 4.44Å; L26-T64 HydrophobicContact CD2-CG2 4.27Å; L26-H67 WeakPolarHBondContact CB-ND1 3.49Å; L26-H67 PolarHBondContact N-ND1 2.99Å; L26-H67 PolarHBondContact O-N 3.44Å; L26-C68 PolarHBondContact O-N 3.49Å
27	L	96.3	Very high	77	Confident	28 Å²	28	56.2 Å²	56.2	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.8	173.4	-57	178	0	0	0	110.1	R25 F29 W46 V47 C68 G409	R25-L27 PolarHBondContact O-N 3.09Å; L27-F29 HydrophobicContact CB-CE2 4.1Å; L27-F29 HydrophobicContact CD1-CE2 4.44Å; L27-W46 WeakPolarHBondContact O-CA 3.42Å; L27-V47 HydrophobicContact CB-CB 4.27Å; L27-V47 PolarHBondContact N-O 3.25Å; L27-V47 PolarHBondContact O-N 3.45Å; L27-C68 HydrophobicContact CD2-CB 3.74Å; L27-G409 WeakPolarHBondContact CD1-O 3.07Å
28	Q	96.7	Very high	79.9	Confident	9 Å²	9	57.1 Å²	57.1	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.7	173.6	-179.6	-172.1	8.9	0	0	109.4	T30 D44 W46 A66 C68 R69 I70	Q28-T30 HydrophobicContact CG-CG2 3.66Å; Q28-D44 HydrophobicContact CG-CB 4.32Å; Q28-D44 PolarHBondContact NE2-OD2 3.4Å; Q28-W46 HydrophobicContact CB-CD2 4.15Å; Q28-W46 HydrophobicContact CB-CE3 3.98Å; Q28-W46 HydrophobicContact CB-CH2 4.12Å; Q28-W46 HydrophobicContact CB-CZ2 4.22Å; Q28-W46 HydrophobicContact CB-CZ3 3.98Å; Q28-W46 VanDerWaalsContact CD-CH2 3.42Å; Q28-W46 HydrophobicContact CG-CD2 4.05Å; Q28-W46 HydrophobicContact CG-CE3 4.3Å; Q28-W46 HydrophobicContact CG-CH2 3.92Å; Q28-W46 HydrophobicContact CG-CZ2 3.57Å; Q28-W46 HydrophobicContact CG-CZ3 4.25Å; Q28-A66 HydrophobicContact CB-CB 3.46Å; Q28-A66 VanDerWaalsContact CB-CB 3.46Å; Q28-C68 PolarHBondContact N-O 3.48Å; Q28-R69 HydrophobicContact CB-CG 4.29Å; Q28-R69 CarbonylContact O-C 3.59Å; Q28-R69 WeakPolarHBondContact O-CA 3.28Å; Q28-R69 VanDerWaalsContact OE1-CZ 3.28Å; Q28-R69 VanDerWaalsContact OE1-NH2 3.11Å; Q28-I70 PolarHBondContact O-N 2.9Å
29	F	97.8	Very high	82.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.9	171.5	-64	-100.2	0	0	0	107.8	L27 C32 D44 L45 V47 I70 I77 F393 W406	L27-F29 HydrophobicContact CB-CE2 4.1Å; L27-F29 HydrophobicContact CD1-CE2 4.44Å; F29-C32 PolarHBondContact O-SG 3.08Å; F29-D44 CarbonylContact O-C 3.59Å; F29-D44 VanDerWaalsContact O-CA 3.22Å; F29-D44 WeakPolarHBondContact O-CA 3.43Å; F29-D44 VanDerWaalsContact O-CB 3.3Å; F29-D44 WeakPolarHBondContact O-CB 3.14Å; F29-L45 HydrophobicContact CB-CB 4.04Å; F29-L45 HydrophobicContact CD2-CB 4.37Å; F29-L45 HydrophobicContact CD2-CD2 4.41Å; F29-L45 PolarHBondContact N-O 3.24Å; F29-L45 PolarHBondContact O-N 3.07Å; F29-V47 HydrophobicContact CD2-CG2 4.38Å; F29-V47 HydrophobicContact CE2-CB 4.37Å; F29-V47 HydrophobicContact CE2-CG2 4.01Å; F29-I70 CarbonylContact C-O 3.53Å; F29-I70 WeakPolarHBondContact CA-O 3.4Å; F29-I70 HydrophobicContact CD1-CB 3.93Å; F29-I70 HydrophobicContact CD1-CD1 4.01Å; F29-I70 HydrophobicContact CD1-CG2 3.95Å; F29-I70 HydrophobicContact CE1-CB 4.17Å; F29-I70 HydrophobicContact CE1-CD1 3.4Å; F29-I70 VanDerWaalsContact CE1-CD1 3.4Å; F29-I70 HydrophobicContact CE1-CG1 4.38Å; F29-I70 HydrophobicContact CE1-CG2 4.1Å; F29-I70 HydrophobicContact CE2-CD1 4.18Å; F29-I70 HydrophobicContact CG-CB 4.47Å; F29-I70 HydrophobicContact CZ-CD1 3.47Å; F29-I70 VanDerWaalsContact CZ-CD1 3.47Å; F29-I77 HydrophobicContact CB-CD1 3.9Å; F29-I77 HydrophobicContact CG-CD1 4.4Å; F29-F393 HydrophobicContact CD1-CE2 4.33Å; F29-F393 HydrophobicContact CD1-CZ 4.46Å; F29-F393 HydrophobicContact CD2-CZ 4.36Å; F29-F393 AromaticContact CE1-CE2 3.9Å; F29-F393 HydrophobicContact CE1-CE2 3.9Å; F29-F393 AromaticContact CE1-CZ 3.82Å; F29-F393 HydrophobicContact CE1-CZ 3.82Å; F29-F393 HydrophobicContact CE2-CE2 4.48Å; F29-F393 AromaticContact CE2-CZ 3.73Å; F29-F393 HydrophobicContact CE2-CZ 3.73Å; F29-F393 HydrophobicContact CZ-CE2 4.02Å; F29-F393 AromaticContact CZ-CZ 3.44Å; F29-F393 HydrophobicContact CZ-CZ 3.44Å; F29-F393 VanDerWaalsContact CZ-CZ 3.44Å; F29-W406 HydrophobicContact CE1-CD2 4.13Å; F29-W406 AromaticContact CE1-CE2 3.8Å; F29-W406 HydrophobicContact CE1-CE3 4.22Å; F29-W406 AromaticContact CE1-CH2 3.76Å; F29-W406 HydrophobicContact CE1-CH2 3.76Å; F29-W406 AromaticContact CE1-CZ2 3.62Å; F29-W406 HydrophobicContact CE1-CZ2 3.62Å; F29-W406 HydrophobicContact CE1-CZ3 4.05Å; F29-W406 HydrophobicContact CZ-CD2 4.07Å; F29-W406 AromaticContact CZ-CE3 3.74Å; F29-W406 HydrophobicContact CZ-CE3 3.74Å; F29-W406 AromaticContact CZ-CH2 3.77Å; F29-W406 HydrophobicContact CZ-CH2 3.77Å; F29-W406 HydrophobicContact CZ-CZ2 4.05Å; F29-W406 AromaticContact CZ-CZ3 3.6Å; F29-W406 HydrophobicContact CZ-CZ3 3.6Å
30	T	97.8	Very high	85.4	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	160.7	-171.3	58.7	0	0	0	0	111	Q28 C32 D44 I70 C72	Q28-T30 HydrophobicContact CG-CG2 3.66Å; T30-C32 VanDerWaalsContact C-N 3.33Å; T30-C32 PolarHBondContact O-N 3.22Å; T30-D44 WeakPolarHBondContact CA-OD1 3.39Å; T30-I70 PolarHBondContact N-O 2.75Å; T30-I70 PolarHBondContact OG1-O 2.87Å; T30-I70 VanDerWaalsContact OG1-O 3.12Å; T30-C72 WeakPolarHBondContact O-CB 3.47Å; T30-C72 PolarHBondContact O-N 2.83Å
31	N	97.6	Very high	88.5	Confident	92 Å²	92	50.6 Å²	50.6	49%	0.492	25%	0.254	S	S	.	.	S	Bend	trans	55.3	50.6	178.6	-177.3	31.9	0	0	0	110.9	D71 G73 G74	N31-D71 WeakPolarHBondContact CB-OD1 3.25Å; N31-D71 PolarHBondContact ND2-OD1 2.87Å; N31-G73 WeakPolarHBondContact ND2-CA 3.31Å; N31-G73 PolarHBondContact O-N 3.2Å; N31-G74 VanDerWaalsContact O-CA 3.24Å; N31-G74 WeakPolarHBondContact O-CA 3.43Å; N31-G74 PolarHBondContact O-N 3.25Å
32	C	97.9	Very high	91.1	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.034	28%	0.276	C	S	.	.			trans	-129	171.6	179.6	45.4	0	0	0	0	111.4	F29 T30 L34 D43 C72 A75 I77	F29-C32 PolarHBondContact O-SG 3.08Å; T30-C32 VanDerWaalsContact C-N 3.33Å; T30-C32 PolarHBondContact O-N 3.22Å; C32-L34 HydrophobicContact CB-CD2 4.43Å; C32-D43 PolarHBondContact SG-O 3.23Å; C32-C72 HydrophobicContact CB-CB 3.66Å; C32-A75 WeakPolarHBondContact CA-O 3.4Å; C32-I77 HydrophobicContact CB-CD1 3.6Å; C32-I77 HydrophobicContact CB-CG1 3.83Å
33	R	98.5	Very high	93.4	Very high	44 Å²	44	57.2 Å²	57.2	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.7	175.7	-74.9	176.8	-65.7	158.2	0.5	108.4	I40 I41 G74 A75 I76 I77 D398	R33-I40 HydrophobicContact CB-CG2 3.63Å; R33-I40 HydrophobicContact CG-CG2 4.19Å; R33-I41 CarbonylContact C-O 3.58Å; R33-I41 VanDerWaalsContact CA-O 3.27Å; R33-I41 WeakPolarHBondContact CA-O 3.13Å; R33-G74 VanDerWaalsContact CZ-O 3.25Å; R33-G74 PolarHBondContact NE-O 3.11Å; R33-G74 PolarHBondContact NH2-O 2.72Å; R33-A75 PolarHBondContact N-O 3.32Å; R33-I76 HydrophobicContact CB-CG1 4.47Å; R33-I76 CarbonylContact O-C 3.58Å; R33-I76 VanDerWaalsContact O-CA 3.26Å; R33-I76 WeakPolarHBondContact O-CA 3.48Å; R33-I77 PolarHBondContact O-N 2.93Å; R33-D398 IonicContact CZ-OD1 2.87Å; R33-D398 IonicContact NH1-OD1 3.5Å; R33-D398 PolarHBondContact NH1-OD1 2.99Å; R33-D398 IonicContact NH2-OD1 2.7Å; R33-D398 PolarHBondContact NH2-OD1 2.93Å; R33-D398 IonicContact NH2-OD2 3.77Å
34	L	98.6	Very high	95.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.5	-174.6	-47.8	-173.5	0	0	0	111	C32 R36 I40 I41 D43 L45 I77 L385	C32-L34 HydrophobicContact CB-CD2 4.43Å; L34-R36 PolarHBondContact O-N 2.89Å; L34-I40 CarbonylContact O-C 3.5Å; L34-I40 WeakPolarHBondContact O-CA 3.32Å; L34-I41 HydrophobicContact CB-CG1 3.97Å; L34-I41 PolarHBondContact N-O 2.95Å; L34-I41 PolarHBondContact O-N 3.5Å; L34-D43 HydrophobicContact CD1-CB 3.91Å; L34-D43 HydrophobicContact CG-CB 4.34Å; L34-L45 HydrophobicContact CD1-CD1 4.44Å; L34-L45 HydrophobicContact CD2-CB 4.02Å; L34-I77 CarbonylContact C-O 3.45Å; L34-I77 HydrophobicContact CD2-CB 3.8Å; L34-I77 HydrophobicContact CD2-CD1 3.92Å; L34-I77 HydrophobicContact CD2-CG1 4.23Å; L34-I77 HydrophobicContact CD2-CG2 4.35Å; L34-L385 HydrophobicContact CB-CD1 4.21Å
35	V	98.5	Very high	96.8	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	101.6	164.3	-177.4	0	0	0	0	108.3	R39 I40 I76 I77 A78 V362 I365 L385	V35-R39 WeakPolarHBondContact CA-O 3.49Å; V35-I40 HydrophobicContact CG2-CG1 4.33Å; V35-I76 HydrophobicContact CG2-CG2 3.64Å; V35-I77 PolarHBondContact N-O 3.24Å; V35-A78 HydrophobicContact CB-CB 4.27Å; V35-A78 HydrophobicContact CG2-CB 3.94Å; V35-V362 HydrophobicContact CG1-CG1 4.01Å; V35-I365 HydrophobicContact CG1-CG2 4.33Å; V35-I365 HydrophobicContact CG2-CD1 3.9Å; V35-L385 WeakPolarHBondContact O-CD1 3.48Å
36	R	96.8	Very high	97.3	Very high	23 Å²	23	46 Å²	46	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.2	-178.1	-173.6	-178.8	-79.5	160.5	-4.8	109.5	L34 H38 R39 I41 L385	L34-R36 PolarHBondContact O-N 2.89Å; R36-H38 VanDerWaalsContact C-N 3.34Å; R36-H38 PolarHBondContact O-N 3.09Å; R36-R39 PolarHBondContact N-O 3.04Å; R36-R39 WeakPolarHBondContact O-CG 3.5Å; R36-R39 PolarHBondContact O-N 3.23Å; R36-I41 HydrophobicContact CB-CD1 4.22Å; R36-L385 VanDerWaalsContact CZ-O 3.22Å; R36-L385 PolarHBondContact NE-O 3.13Å; R36-L385 PolarHBondContact NH2-O 3.21Å
37	D	95.2	Very high	97.5	Very high	90 Å²	90	46 Å²	46	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.5	-178.8	-50.2	-33.3	0	0	0	114.2	R39	D37-R39 HydrophobicContact CB-CG 4.43Å; D37-R39 WeakPolarHBondContact O-CG 3.32Å; D37-R39 PolarHBondContact O-N 3.37Å; D37-R39 IonicContact OD2-CZ 2.92Å; D37-R39 IonicContact OD2-NH2 3.25Å; D37-R39 PolarHBondContact OD2-NH2 3.31Å
38	H	97.4	Very high	97.5	Very high	129 Å²	129	47 Å²	47	60%	0.597	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	24.9	-179.6	-47.4	-64.8	0	0	0	115.2	R36 E366	R36-H38 VanDerWaalsContact C-N 3.34Å; R36-H38 PolarHBondContact O-N 3.09Å; H38-E366 WeakPolarHBondContact CA-OE1 3.36Å; H38-E366 IonicContact CE1-OE1 2.77Å; H38-E366 IonicContact CG-OE1 3.6Å; H38-E366 VanDerWaalsContact ND1-CD 3.35Å; H38-E366 IonicContact ND1-OE1 2.86Å; H38-E366 PolarHBondContact ND1-OE1 3.05Å; H38-E366 IonicContact ND1-OE2 3.79Å; H38-E366 PolarHBondContact ND1-OE2 3.46Å
39	R	98	Very high	97.3	Very high	134 Å²	134	50.9 Å²	50.9	51%	0.506	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.2	179.1	55.2	179.2	173.1	-167.8	-4.5	111.7	V35 R36 D37 I41	V35-R39 WeakPolarHBondContact CA-O 3.49Å; R36-R39 PolarHBondContact N-O 3.04Å; R36-R39 WeakPolarHBondContact O-CG 3.5Å; R36-R39 PolarHBondContact O-N 3.23Å; D37-R39 HydrophobicContact CB-CG 4.43Å; D37-R39 WeakPolarHBondContact O-CG 3.32Å; D37-R39 PolarHBondContact O-N 3.37Å; D37-R39 IonicContact OD2-CZ 2.92Å; D37-R39 IonicContact OD2-NH2 3.25Å; D37-R39 PolarHBondContact OD2-NH2 3.31Å; R39-I41 HydrophobicContact CG-CG2 3.8Å
40	I	98.2	Very high	97.2	Very high	62 Å²	62	51.6 Å²	51.6	32%	0.318	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.8	166.4	-65.9	175.2	0	0	0	108.2	R33 L34 V35 I76 V361 V362	R33-I40 HydrophobicContact CB-CG2 3.63Å; R33-I40 HydrophobicContact CG-CG2 4.19Å; L34-I40 CarbonylContact O-C 3.5Å; L34-I40 WeakPolarHBondContact O-CA 3.32Å; V35-I40 HydrophobicContact CG2-CG1 4.33Å; I40-I76 HydrophobicContact CD1-CD1 4.25Å; I40-V361 HydrophobicContact CD1-CG1 4.09Å; I40-V362 HydrophobicContact CD1-CG2 4.26Å; I40-V362 HydrophobicContact CG1-CG2 3.69Å
41	I	97.9	Very high	97.2	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.5	176.6	61.9	175.2	0	0	0	111.4	R33 L34 R36 R39 D43	R33-I41 CarbonylContact C-O 3.58Å; R33-I41 VanDerWaalsContact CA-O 3.27Å; R33-I41 WeakPolarHBondContact CA-O 3.13Å; L34-I41 HydrophobicContact CB-CG1 3.97Å; L34-I41 PolarHBondContact N-O 2.95Å; L34-I41 PolarHBondContact O-N 3.5Å; R36-I41 HydrophobicContact CB-CD1 4.22Å; R39-I41 HydrophobicContact CG-CG2 3.8Å; I41-D43 HydrophobicContact CD1-CB 4.23Å; I41-D43 HydrophobicContact CG1-CB 4.37Å; I41-D43 PolarHBondContact O-N 3.27Å
42	H	97.6	Very high	97.2	Very high	158 Å²	158	51.4 Å²	51.4	73%	0.731	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.1	169.7	-74.9	-96.8	0	0	0	108.8
43	D	96.9	Very high	97.2	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.364	25%	0.247	S	C	.	.			trans	-160.2	166	179.3	-162.2	6.2	0	0	0	109.6	C32 L34 I41	C32-D43 PolarHBondContact SG-O 3.23Å; L34-D43 HydrophobicContact CD1-CB 3.91Å; L34-D43 HydrophobicContact CG-CB 4.34Å; I41-D43 HydrophobicContact CD1-CB 4.23Å; I41-D43 HydrophobicContact CG1-CB 4.37Å; I41-D43 PolarHBondContact O-N 3.27Å
44	D	96.9	Very high	97	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.241	25%	0.252	C	S	.	.			trans	-89.6	142.7	176.7	-70	-11.7	0	0	0	111.1	Q28 F29 T30	Q28-D44 HydrophobicContact CG-CB 4.32Å; Q28-D44 PolarHBondContact NE2-OD2 3.4Å; F29-D44 CarbonylContact O-C 3.59Å; F29-D44 VanDerWaalsContact O-CA 3.22Å; F29-D44 WeakPolarHBondContact O-CA 3.43Å; F29-D44 VanDerWaalsContact O-CB 3.3Å; F29-D44 WeakPolarHBondContact O-CB 3.14Å; T30-D44 WeakPolarHBondContact CA-OD1 3.39Å
45	L	98.1	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.8	169.6	-169.5	78.9	0	0	0	109.9	F29 L34 V47 I52 I77 F393	F29-L45 HydrophobicContact CB-CB 4.04Å; F29-L45 HydrophobicContact CD2-CB 4.37Å; F29-L45 HydrophobicContact CD2-CD2 4.41Å; F29-L45 PolarHBondContact N-O 3.24Å; F29-L45 PolarHBondContact O-N 3.07Å; L34-L45 HydrophobicContact CD1-CD1 4.44Å; L34-L45 HydrophobicContact CD2-CB 4.02Å; L45-V47 HydrophobicContact CD2-CG2 3.93Å; L45-V47 HydrophobicContact CG-CG2 4.24Å; L45-I52 HydrophobicContact CD1-CD1 4.11Å; L45-I52 HydrophobicContact CD1-CG1 4.32Å; L45-I52 HydrophobicContact CD1-CG2 3.77Å; L45-I77 HydrophobicContact CB-CD1 4.19Å; L45-I77 HydrophobicContact CD2-CG2 4.15Å; L45-F393 HydrophobicContact CD2-CD1 3.87Å; L45-F393 HydrophobicContact CD2-CD2 4.33Å; L45-F393 HydrophobicContact CD2-CE1 3.85Å; L45-F393 HydrophobicContact CD2-CE2 4.29Å; L45-F393 HydrophobicContact CD2-CG 4.13Å; L45-F393 HydrophobicContact CD2-CZ 4.06Å
46	W	97.6	Very high	96.3	Very high	7 Å²	7	59.1 Å²	59.1	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.7	176.7	-66.6	75.1	0	0	0	110.3	L26 L27 Q28 I52 V53 P55 F59 A66	L26-W46 HydrophobicContact CD1-CE3 3.74Å; L26-W46 HydrophobicContact CD1-CZ3 4.31Å; L26-W46 HydrophobicContact CD2-CE3 4.1Å; L26-W46 HydrophobicContact CD2-CZ3 3.8Å; L26-W46 HydrophobicContact CG-CE3 3.88Å; L26-W46 HydrophobicContact CG-CZ3 3.99Å; L27-W46 WeakPolarHBondContact O-CA 3.42Å; Q28-W46 HydrophobicContact CB-CD2 4.15Å; Q28-W46 HydrophobicContact CB-CE3 3.98Å; Q28-W46 HydrophobicContact CB-CH2 4.12Å; Q28-W46 HydrophobicContact CB-CZ2 4.22Å; Q28-W46 HydrophobicContact CB-CZ3 3.98Å; Q28-W46 VanDerWaalsContact CD-CH2 3.42Å; Q28-W46 HydrophobicContact CG-CD2 4.05Å; Q28-W46 HydrophobicContact CG-CE3 4.3Å; Q28-W46 HydrophobicContact CG-CH2 3.92Å; Q28-W46 HydrophobicContact CG-CZ2 3.57Å; Q28-W46 HydrophobicContact CG-CZ3 4.25Å; W46-I52 WeakPolarHBondContact O-CA 3.09Å; W46-V53 HydrophobicContact CB-CG2 3.64Å; W46-V53 PolarHBondContact O-N 2.98Å; W46-P55 HydrophobicContact CD2-CB 4.03Å; W46-P55 HydrophobicContact CG-CB 3.9Å; W46-P55 HydrophobicContact CG-CG 4.45Å; W46-P55 HydrophobicContact CZ2-CB 4.5Å; W46-F59 HydrophobicContact CH2-CE1 4.11Å; W46-F59 AromaticContact CH2-CE2 3.88Å; W46-F59 HydrophobicContact CH2-CE2 3.88Å; W46-F59 AromaticContact CH2-CZ 3.4Å; W46-F59 HydrophobicContact CH2-CZ 3.4Å; W46-F59 HydrophobicContact CZ2-CE1 4.37Å; W46-F59 AromaticContact CZ2-CE2 3.46Å; W46-F59 HydrophobicContact CZ2-CE2 3.46Å; W46-F59 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F59 AromaticContact CZ2-CZ 3.26Å; W46-F59 HydrophobicContact CZ2-CZ 3.26Å; W46-A66 HydrophobicContact CH2-CB 4.33Å; W46-A66 HydrophobicContact CZ3-CB 3.84Å
47	V	97.3	Very high	95.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137	-176.8	175.5	0	0	0	0	110.2	L27 F29 L45 R51 A391 F393	L27-V47 HydrophobicContact CB-CB 4.27Å; L27-V47 PolarHBondContact N-O 3.25Å; L27-V47 PolarHBondContact O-N 3.45Å; F29-V47 HydrophobicContact CD2-CG2 4.38Å; F29-V47 HydrophobicContact CE2-CB 4.37Å; F29-V47 HydrophobicContact CE2-CG2 4.01Å; L45-V47 HydrophobicContact CD2-CG2 3.93Å; L45-V47 HydrophobicContact CG-CG2 4.24Å; V47-R51 VanDerWaalsContact CA-O 3.3Å; V47-R51 WeakPolarHBondContact CA-O 3.48Å; V47-A391 HydrophobicContact CB-CB 4.33Å; V47-A391 HydrophobicContact CG1-CB 3.48Å; V47-A391 VanDerWaalsContact CG1-CB 3.48Å; V47-A391 HydrophobicContact CG2-CB 3.87Å; V47-F393 HydrophobicContact CG2-CE1 4.07Å
48	R	95.2	Very high	95.4	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.177	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.3	173.8	-159.3	-167.6	-48.7	-160	3.1	108.8	L26 G50 R51 V53 E62	L26-R48 HydrophobicContact CD1-CB 4.36Å; R48-G50 PolarHBondContact O-N 3.09Å; R48-G50 VanDerWaalsContact O-N 3.14Å; R48-R51 PolarHBondContact N-O 3.38Å; R48-R51 PolarHBondContact O-N 2.91Å; R48-R51 VanDerWaalsContact O-O 3.13Å; R48-V53 HydrophobicContact CB-CG1 3.84Å; R48-V53 HydrophobicContact CB-CG2 4.37Å; R48-E62 IonicContact CZ-OE1 2.71Å; R48-E62 IonicContact CZ-OE2 2.72Å; R48-E62 VanDerWaalsContact NH1-CD 3.29Å; R48-E62 IonicContact NH1-OE1 2.67Å; R48-E62 PolarHBondContact NH1-OE1 3.12Å; R48-E62 VanDerWaalsContact NH1-OE1 3.12Å; R48-E62 IonicContact NH1-OE2 3.84Å; R48-E62 PolarHBondContact NH1-OE2 3Å; R48-E62 IonicContact NH2-OE1 3.13Å; R48-E62 PolarHBondContact NH2-OE1 3.18Å; R48-E62 IonicContact NH2-OE2 3.55Å; R48-E62 PolarHBondContact NH2-OE2 3.31Å
49	D	94	Very high	94.8	Very high	91 Å²	91	54.8 Å²	54.8	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	39.5	172.5	-46.5	-17	0	0	0	112.9	S23 Q24 R51	S23-D49 VanDerWaalsContact O-CG 3.28Å; Q24-D49 WeakPolarHBondContact CA-OD1 3.3Å; Q24-D49 PolarHBondContact N-OD1 2.98Å; D49-R51 PolarHBondContact O-N 3.19Å
50	G	95.4	Very high	94.1	Very high	16 Å²	16	55.4 Å²	55.4	17%	0.165	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	11	-178.3	0	0	0	0	0	115.6	R48 A391 A408	R48-G50 PolarHBondContact O-N 3.09Å; R48-G50 VanDerWaalsContact O-N 3.14Å; G50-A391 WeakPolarHBondContact O-CB 3.4Å; G50-A391 PolarHBondContact O-N 3.5Å; G50-A408 WeakPolarHBondContact CA-O 3.21Å
51	R	97.7	Very high	93.6	Very high	115 Å²	115	58.4 Å²	58.4	43%	0.434	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.1	179.7	-62	-166.6	176.4	-66.9	-16.2	112.9	V47 R48 D49 G388 S389 D390	V47-R51 VanDerWaalsContact CA-O 3.3Å; V47-R51 WeakPolarHBondContact CA-O 3.48Å; R48-R51 PolarHBondContact N-O 3.38Å; R48-R51 PolarHBondContact O-N 2.91Å; R48-R51 VanDerWaalsContact O-O 3.13Å; D49-R51 PolarHBondContact O-N 3.19Å; R51-G388 PolarHBondContact NH1-O 2.86Å; R51-S389 CarbonylContact C-O 3.58Å; R51-S389 VanDerWaalsContact CA-O 3.31Å; R51-S389 WeakPolarHBondContact CA-O 3.36Å; R51-D390 IonicContact CZ-OD1 3.27Å; R51-D390 IonicContact NH1-OD1 3.37Å; R51-D390 PolarHBondContact NH1-OD1 2.75Å; R51-D390 IonicContact NH2-OD1 3.43Å
52	I	98	Very high	93	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.2	169.1	-60	178.3	0	0	0	108.1	L45 W46 L385 F387 G388 S389 A391	L45-I52 HydrophobicContact CD1-CD1 4.11Å; L45-I52 HydrophobicContact CD1-CG1 4.32Å; L45-I52 HydrophobicContact CD1-CG2 3.77Å; W46-I52 WeakPolarHBondContact O-CA 3.09Å; I52-L385 HydrophobicContact CD1-CB 4.06Å; I52-L385 HydrophobicContact CD1-CD2 3.64Å; I52-L385 HydrophobicContact CD1-CG 4.47Å; I52-F387 HydrophobicContact CG2-CD1 4.17Å; I52-G388 PolarHBondContact O-N 3.19Å; I52-S389 WeakPolarHBondContact CD1-OG 3.39Å; I52-S389 PolarHBondContact N-O 2.93Å; I52-A391 HydrophobicContact CG1-CB 4.2Å
53	V	96.5	Very high	92.4	Very high	29 Å²	29	63.2 Å²	63.2	18%	0.176	30%	0.3	C	S	.	.			trans	-114.1	146.7	-176	-61.7	0	0	0	0	111.8	L26 W46 R48 P55 V58 F387	L26-V53 HydrophobicContact CD1-CG2 4.11Å; W46-V53 HydrophobicContact CB-CG2 3.64Å; W46-V53 PolarHBondContact O-N 2.98Å; R48-V53 HydrophobicContact CB-CG1 3.84Å; R48-V53 HydrophobicContact CB-CG2 4.37Å; V53-P55 WeakPolarHBondContact O-CD 3.34Å; V53-V58 HydrophobicContact CG2-CG2 4.49Å; V53-F387 VanDerWaalsContact C-CD1 3.47Å; V53-F387 WeakPolarHBondContact O-CD1 3.28Å; V53-F387 WeakPolarHBondContact O-CE1 3.3Å
54	N	95.2	Very high	91.8	Very high	50 Å²	50	62.3 Å²	62.3	27%	0.267	30%	0.297	S	S	.	.			trans	-69.7	121.8	169.7	-177.4	-4.9	0	0	0	108.6	E56 P57 V58 F387	N54-E56 PolarHBondContact O-N 3.26Å; N54-E56 WeakPolarHBondContact OD1-CB 3.23Å; N54-E56 PolarHBondContact OD1-N 3.1Å; N54-P57 WeakPolarHBondContact O-CD 3.42Å; N54-V58 WeakPolarHBondContact O-CG2 3.37Å; N54-F387 VanDerWaalsContact CA-CD1 3.49Å; N54-F387 HydrophobicContact CB-CB 4.32Å; N54-F387 HydrophobicContact CB-CD1 3.98Å; N54-F387 HydrophobicContact CB-CD2 3.68Å; N54-F387 HydrophobicContact CB-CE1 4.17Å; N54-F387 HydrophobicContact CB-CE2 3.87Å; N54-F387 HydrophobicContact CB-CG 3.74Å; N54-F387 HydrophobicContact CB-CZ 4.11Å
55	P	92.5	Very high	91.4	Very high	21 Å²	21	67.8 Å²	67.8	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-21.6	177.4	25.1	-33.6	0	0	0	114.2	W46 V53 V58 F59	W46-P55 HydrophobicContact CD2-CB 4.03Å; W46-P55 HydrophobicContact CG-CB 3.9Å; W46-P55 HydrophobicContact CG-CG 4.45Å; W46-P55 HydrophobicContact CZ2-CB 4.5Å; V53-P55 WeakPolarHBondContact O-CD 3.34Å; P55-V58 VanDerWaalsContact O-CB 3.29Å; P55-V58 WeakPolarHBondContact O-CB 3.32Å; P55-V58 PolarHBondContact O-N 3.38Å; P55-V58 VanDerWaalsContact O-N 3.11Å; P55-F59 HydrophobicContact CB-CD2 3.89Å; P55-F59 HydrophobicContact CB-CE2 3.78Å; P55-F59 WeakPolarHBondContact O-CD2 3.5Å; P55-F59 PolarHBondContact O-N 3.1Å
56	E	90.6	Very high	91	Very high	118 Å²	118	68 Å²	68	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-59.4	-54	-174.8	178.5	-178.2	-168.8	0	0	112.7	N54 V58 F59 F60	N54-E56 PolarHBondContact O-N 3.26Å; N54-E56 WeakPolarHBondContact OD1-CB 3.23Å; N54-E56 PolarHBondContact OD1-N 3.1Å; E56-V58 PolarHBondContact O-N 3.46Å; E56-F59 PolarHBondContact O-N 3.05Å; E56-F60 HydrophobicContact CG-CD2 3.66Å; E56-F60 HydrophobicContact CG-CE2 3.94Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.47Å; E56-F60 PolarHBondContact O-N 2.71Å
57	P	87.9	Confident	90.8	Very high	50 Å²	50	71.2 Å²	71.2	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-56.8	-35.8	171.6	-26.8	33.6	0	0	0	113.9	N54 F59 D61 E62	N54-P57 WeakPolarHBondContact O-CD 3.42Å; P57-F59 VanDerWaalsContact C-N 3.3Å; P57-F59 PolarHBondContact O-N 3.02Å; P57-D61 WeakPolarHBondContact O-CA 3.49Å; P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.33Å; P57-D61 PolarHBondContact O-N 3.21Å; P57-E62 PolarHBondContact O-N 3.1Å; P57-E62 VanDerWaalsContact O-N 3.07Å
58	V	84	Confident	90.6	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-39.8	179.9	-173.1	0	0	0	0	111.5	L26 V53 N54 P55 E56 E62 R63 T64	L26-V58 HydrophobicContact CD1-CG1 4.28Å; L26-V58 HydrophobicContact CD2-CG1 3.36Å; L26-V58 HydrophobicContact CG-CG1 4.44Å; V53-V58 HydrophobicContact CG2-CG2 4.49Å; N54-V58 WeakPolarHBondContact O-CG2 3.37Å; P55-V58 VanDerWaalsContact O-CB 3.29Å; P55-V58 WeakPolarHBondContact O-CB 3.32Å; P55-V58 PolarHBondContact O-N 3.38Å; P55-V58 VanDerWaalsContact O-N 3.11Å; E56-V58 PolarHBondContact O-N 3.46Å; V58-E62 WeakPolarHBondContact O-CB 3.43Å; V58-R63 PolarHBondContact O-N 3.15Å; V58-T64 PolarHBondContact O-N 3.5Å
59	F	84.9	Confident	90.6	Very high	98 Å²	98	74.7 Å²	74.7	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-80.3	-47.3	179.9	-76.9	-64	0	0	0	112.9	W46 P55 E56 P57 R63	W46-F59 HydrophobicContact CH2-CE1 4.11Å; W46-F59 AromaticContact CH2-CE2 3.88Å; W46-F59 HydrophobicContact CH2-CE2 3.88Å; W46-F59 AromaticContact CH2-CZ 3.4Å; W46-F59 HydrophobicContact CH2-CZ 3.4Å; W46-F59 HydrophobicContact CZ2-CE1 4.37Å; W46-F59 AromaticContact CZ2-CE2 3.46Å; W46-F59 HydrophobicContact CZ2-CE2 3.46Å; W46-F59 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F59 AromaticContact CZ2-CZ 3.26Å; W46-F59 HydrophobicContact CZ2-CZ 3.26Å; P55-F59 HydrophobicContact CB-CD2 3.89Å; P55-F59 HydrophobicContact CB-CE2 3.78Å; P55-F59 WeakPolarHBondContact O-CD2 3.5Å; P55-F59 PolarHBondContact O-N 3.1Å; E56-F59 PolarHBondContact O-N 3.05Å; P57-F59 VanDerWaalsContact C-N 3.3Å; P57-F59 PolarHBondContact O-N 3.02Å; F59-R63 WeakPolarHBondContact O-CA 3.01Å
60	F	83.7	Confident	90.7	Very high	147 Å²	147	70.6 Å²	70.6	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-83.9	-41.7	-171.9	-70.9	-72.1	0	0	0	113.1	E56	E56-F60 HydrophobicContact CG-CD2 3.66Å; E56-F60 HydrophobicContact CG-CE2 3.94Å; E56-F60 VanDerWaalsContact O-CD2 3.29Å; E56-F60 WeakPolarHBondContact O-CD2 3.47Å; E56-F60 PolarHBondContact O-N 2.71Å
61	D	86.6	Confident	90.7	Very high	125 Å²	125	72.7 Å²	72.7	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-53.5	-174.4	-53.1	-34	0	0	0	110.7	P57	P57-D61 WeakPolarHBondContact O-CA 3.49Å; P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.33Å; P57-D61 PolarHBondContact O-N 3.21Å
62	E	86.8	Confident	90.7	Very high	81 Å²	81	67.3 Å²	67.3	38%	0.379	32%	0.315	S	S	.	.	S	Bend	trans	-81.8	-20.9	-175.9	-55.9	178.5	-126.2	0	0	113.4	R48 P57 V58 T64	R48-E62 IonicContact CZ-OE1 2.71Å; R48-E62 IonicContact CZ-OE2 2.72Å; R48-E62 VanDerWaalsContact NH1-CD 3.29Å; R48-E62 IonicContact NH1-OE1 2.67Å; R48-E62 PolarHBondContact NH1-OE1 3.12Å; R48-E62 VanDerWaalsContact NH1-OE1 3.12Å; R48-E62 IonicContact NH1-OE2 3.84Å; R48-E62 PolarHBondContact NH1-OE2 3Å; R48-E62 IonicContact NH2-OE1 3.13Å; R48-E62 PolarHBondContact NH2-OE1 3.18Å; R48-E62 IonicContact NH2-OE2 3.55Å; R48-E62 PolarHBondContact NH2-OE2 3.31Å; P57-E62 PolarHBondContact O-N 3.1Å; P57-E62 VanDerWaalsContact O-N 3.07Å; V58-E62 WeakPolarHBondContact O-CB 3.43Å; E62-T64 PolarHBondContact O-N 3.25Å; E62-T64 PolarHBondContact O-OG1 3.1Å
63	R	85.1	Confident	90.6	Very high	214 Å²	214	68.2 Å²	68.2	81%	0.808	32%	0.324	S	S	*	.			trans	48.7	34.4	-177.5	-58.3	-179.7	-179.1	-178.5	0	113.3	V58 F59	V58-R63 PolarHBondContact O-N 3.15Å; F59-R63 WeakPolarHBondContact O-CA 3.01Å
64	T	84.1	Confident	90.6	Very high	49 Å²	49	67.7 Å²	67.7	30%	0.301	33%	0.325	S	S	.	.			trans	-105.3	146.3	-171.8	-69.1	0	0	0	0	110.4	L26 V58 E62	L26-T64 HydrophobicContact CD2-CG2 4.27Å; V58-T64 PolarHBondContact O-N 3.5Å; E62-T64 PolarHBondContact O-N 3.25Å; E62-T64 PolarHBondContact O-OG1 3.1Å
65	K	87.4	Confident	90.8	Very high	161 Å²	161	65.3 Å²	65.3	70%	0.7	31%	0.313	S	S	*	.			trans	-95.6	154.2	171.7	-65.3	-178	-176.9	176.1	0	109.4	H67	K65-H67 PolarHBondContact O-N 3.16Å
66	A	91	Very high	91.1	Very high	4 Å²	4	64.5 Å²	64.5	3%	0.033	31%	0.307	C	S	.	.			trans	-53.8	134	171.2	0	0	0	0	0	111.3	Q28 W46 C68 R69	Q28-A66 HydrophobicContact CB-CB 3.46Å; Q28-A66 VanDerWaalsContact CB-CB 3.46Å; W46-A66 HydrophobicContact CH2-CB 4.33Å; W46-A66 HydrophobicContact CZ3-CB 3.84Å; A66-C68 VanDerWaalsContact C-N 3.3Å; A66-R69 HydrophobicContact CB-CG 4.13Å
67	H	93.6	Very high	91.5	Very high	75 Å²	75	58.9 Å²	58.9	35%	0.347	28%	0.281	S	S	.	.	S	Bend	trans	-68.7	-34.9	173.9	-60.5	97.3	0	0	0	110.7	N8 R25 L26 K65	N8-H67 PolarHBondContact N-O 3.23Å; R25-H67 HydrophobicContact CB-CB 4.41Å; R25-H67 HydrophobicContact CG-CB 4.16Å; L26-H67 WeakPolarHBondContact CB-ND1 3.49Å; L26-H67 PolarHBondContact N-ND1 2.99Å; L26-H67 PolarHBondContact O-N 3.44Å; K65-H67 PolarHBondContact O-N 3.16Å
68	C	93.1	Very high	92	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.8	173.6	-161.9	0	0	0	0	111.6	I5 K6 C7 L26 L27 Q28 A66	I5-C68 WeakPolarHBondContact CG2-SG 3.34Å; K6-C68 PolarHBondContact O-SG 3.23Å; K6-C68 VanDerWaalsContact O-SG 3.38Å; C7-C68 WeakPolarHBondContact CA-SG 3.38Å; C7-C68 HydrophobicContact CB-CB 3.86Å; C7-C68 WeakPolarHBondContact CB-SG 3.45Å; C7-C68 WeakPolarHBondContact SG-CB 3.36Å; C7-C68 CovalentContact SG-SG 2.07Å; C7-C68 PolarHBondContact SG-SG 3.22Å; L26-C68 PolarHBondContact O-N 3.49Å; L27-C68 HydrophobicContact CD2-CB 3.74Å; Q28-C68 PolarHBondContact N-O 3.48Å; A66-C68 VanDerWaalsContact C-N 3.3Å
69	R	94.7	Very high	92.7	Very high	116 Å²	116	56.6 Å²	56.6	44%	0.438	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.3	175.2	-72.6	-178	168.7	-171.8	-5.4	109.9	K6 Q28 A66	K6-R69 PolarHBondContact N-O 3.16Å; K6-R69 PolarHBondContact O-N 2.91Å; Q28-R69 HydrophobicContact CB-CG 4.29Å; Q28-R69 CarbonylContact O-C 3.59Å; Q28-R69 WeakPolarHBondContact O-CA 3.28Å; Q28-R69 VanDerWaalsContact OE1-CZ 3.28Å; Q28-R69 VanDerWaalsContact OE1-NH2 3.11Å; A66-R69 HydrophobicContact CB-CG 4.13Å
70	I	95.7	Very high	93.4	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.1	-179.8	-60.1	167.1	0	0	0	106.9	V3 I5 Q28 F29 T30 W406	V3-I70 HydrophobicContact CG1-CG2 3.38Å; I5-I70 HydrophobicContact CG1-CG1 4.39Å; Q28-I70 PolarHBondContact O-N 2.9Å; F29-I70 CarbonylContact C-O 3.53Å; F29-I70 WeakPolarHBondContact CA-O 3.4Å; F29-I70 HydrophobicContact CD1-CB 3.93Å; F29-I70 HydrophobicContact CD1-CD1 4.01Å; F29-I70 HydrophobicContact CD1-CG2 3.95Å; F29-I70 HydrophobicContact CE1-CB 4.17Å; F29-I70 HydrophobicContact CE1-CD1 3.4Å; F29-I70 VanDerWaalsContact CE1-CD1 3.4Å; F29-I70 HydrophobicContact CE1-CG1 4.38Å; F29-I70 HydrophobicContact CE1-CG2 4.1Å; F29-I70 HydrophobicContact CE2-CD1 4.18Å; F29-I70 HydrophobicContact CG-CB 4.47Å; F29-I70 HydrophobicContact CZ-CD1 3.47Å; F29-I70 VanDerWaalsContact CZ-CD1 3.47Å; T30-I70 PolarHBondContact N-O 2.75Å; T30-I70 PolarHBondContact OG1-O 2.87Å; T30-I70 VanDerWaalsContact OG1-O 3.12Å; I70-W406 HydrophobicContact CD1-CH2 3.54Å; I70-W406 HydrophobicContact CD1-CZ2 4.22Å; I70-W406 HydrophobicContact CD1-CZ3 4.19Å
71	D	96.4	Very high	94.1	Very high	61 Å²	61	45 Å²	45	33%	0.326	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.6	172.6	-175.5	-16.1	0	0	0	108.8	V3 R4 N31 G73	V3-D71 WeakPolarHBondContact CA-O 3.22Å; R4-D71 PolarHBondContact N-O 3.28Å; R4-D71 PolarHBondContact O-N 2.61Å; N31-D71 WeakPolarHBondContact CB-OD1 3.25Å; N31-D71 PolarHBondContact ND2-OD1 2.87Å; D71-G73 VanDerWaalsContact C-N 3.32Å; D71-G73 PolarHBondContact OD1-N 3.02Å
72	C	97.1	Very high	94.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	18%	0.184	C	C	.	.			trans	-85.6	-2.5	-177.9	-63.7	0	0	0	0	113.4	T30 C32 G74 A75 L395	T30-C72 WeakPolarHBondContact O-CB 3.47Å; T30-C72 PolarHBondContact O-N 2.83Å; C32-C72 HydrophobicContact CB-CB 3.66Å; C72-G74 PolarHBondContact O-N 3.44Å; C72-A75 HydrophobicContact CB-CB 4.34Å; C72-A75 WeakPolarHBondContact O-CB 3.39Å; C72-A75 PolarHBondContact O-N 2.93Å; C72-L395 HydrophobicContact CB-CD2 4.24Å
73	G	96	Very high	95.2	Very high	19 Å²	19	35.2 Å²	35.2	20%	0.196	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	26	173	0	0	0	0	0	114.7	N31 D71	N31-G73 WeakPolarHBondContact ND2-CA 3.31Å; N31-G73 PolarHBondContact O-N 3.2Å; D71-G73 VanDerWaalsContact C-N 3.32Å; D71-G73 PolarHBondContact OD1-N 3.02Å
74	G	97.3	Very high	95.9	Very high	18 Å²	18	25.2 Å²	25.2	19%	0.186	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	6.5	-175.5	0	0	0	0	0	114.7	N31 R33 C72	N31-G74 VanDerWaalsContact O-CA 3.24Å; N31-G74 WeakPolarHBondContact O-CA 3.43Å; N31-G74 PolarHBondContact O-N 3.25Å; R33-G74 VanDerWaalsContact CZ-O 3.25Å; R33-G74 PolarHBondContact NE-O 3.11Å; R33-G74 PolarHBondContact NH2-O 2.72Å; C72-G74 PolarHBondContact O-N 3.44Å
75	A	98.3	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-59.6	152.5	179.5	0	0	0	0	0	112.8	C32 R33 C72 L395 L396 L403	C32-A75 WeakPolarHBondContact CA-O 3.4Å; R33-A75 PolarHBondContact N-O 3.32Å; C72-A75 HydrophobicContact CB-CB 4.34Å; C72-A75 WeakPolarHBondContact O-CB 3.39Å; C72-A75 PolarHBondContact O-N 2.93Å; A75-L395 HydrophobicContact CB-CB 4.31Å; A75-L395 HydrophobicContact CB-CD2 4.43Å; A75-L395 HydrophobicContact CB-CG 4.34Å; A75-L396 WeakPolarHBondContact CB-O 3.39Å; A75-L403 HydrophobicContact CB-CD1 3.93Å
76	I	98.8	Very high	97.1	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.7	168	-58.9	172.2	0	0	0	107.3	R33 V35 I40 V361 L395 L396 L400	R33-I76 HydrophobicContact CB-CG1 4.47Å; R33-I76 CarbonylContact O-C 3.58Å; R33-I76 VanDerWaalsContact O-CA 3.26Å; R33-I76 WeakPolarHBondContact O-CA 3.48Å; V35-I76 HydrophobicContact CG2-CG2 3.64Å; I40-I76 HydrophobicContact CD1-CD1 4.25Å; I76-V361 HydrophobicContact CD1-CG1 4.38Å; I76-L395 CarbonylContact O-C 3.54Å; I76-L395 VanDerWaalsContact O-CA 3.32Å; I76-L395 WeakPolarHBondContact O-CA 3.43Å; I76-L396 HydrophobicContact CB-CB 4.27Å; I76-L396 PolarHBondContact N-O 2.88Å; I76-L396 PolarHBondContact O-N 3.46Å; I76-L400 HydrophobicContact CD1-CD2 4.29Å
77	I	98.8	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.8	166.8	-60.8	-178.2	0	0	0	107.5	F29 C32 R33 L34 V35 L45 L385 F393 V394 L395	F29-I77 HydrophobicContact CB-CD1 3.9Å; F29-I77 HydrophobicContact CG-CD1 4.4Å; C32-I77 HydrophobicContact CB-CD1 3.6Å; C32-I77 HydrophobicContact CB-CG1 3.83Å; R33-I77 PolarHBondContact O-N 2.93Å; L34-I77 CarbonylContact C-O 3.45Å; L34-I77 HydrophobicContact CD2-CB 3.8Å; L34-I77 HydrophobicContact CD2-CD1 3.92Å; L34-I77 HydrophobicContact CD2-CG1 4.23Å; L34-I77 HydrophobicContact CD2-CG2 4.35Å; V35-I77 PolarHBondContact N-O 3.24Å; L45-I77 HydrophobicContact CB-CD1 4.19Å; L45-I77 HydrophobicContact CD2-CG2 4.15Å; I77-L385 HydrophobicContact CG2-CD1 3.91Å; I77-L385 WeakPolarHBondContact O-CD1 3.07Å; I77-F393 HydrophobicContact CG2-CB 4.12Å; I77-F393 HydrophobicContact CG2-CD2 3.76Å; I77-F393 HydrophobicContact CG2-CG 4.14Å; I77-V394 WeakPolarHBondContact CA-O 3.48Å; I77-L395 HydrophobicContact CD1-CD1 4.34Å; I77-L395 HydrophobicContact CG1-CD1 3.97Å; I77-L395 HydrophobicContact CG1-CG 4.08Å
78	A	98.9	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	156	177.2	0	0	0	0	0	110.5	V35 I365 F393 V394 L396	V35-A78 HydrophobicContact CB-CB 4.27Å; V35-A78 HydrophobicContact CG2-CB 3.94Å; A78-I365 HydrophobicContact CB-CD1 4.14Å; A78-I365 HydrophobicContact CB-CG2 3.64Å; A78-F393 CarbonylContact O-C 3.53Å; A78-F393 VanDerWaalsContact O-CA 3.23Å; A78-F393 WeakPolarHBondContact O-CA 3.32Å; A78-F393 WeakPolarHBondContact O-CB 3.46Å; A78-V394 HydrophobicContact CB-CG2 3.96Å; A78-V394 PolarHBondContact N-O 3.04Å; A78-V394 PolarHBondContact O-N 3.03Å; A78-L396 HydrophobicContact CB-CD1 4.21Å
79	P	98.8	Very high	97.7	Very high	4 Å²	4	12 Å²	12	3%	0.026	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	148.9	168.6	-16.1	27.4	0	0	0	110.3	T369 G383 L385	P79-T369 HydrophobicContact CB-CG2 3.97Å; P79-T369 WeakPolarHBondContact O-CG2 3.43Å; P79-G383 WeakPolarHBondContact CG-O 3.46Å; P79-L385 HydrophobicContact CB-CD2 4.45Å; P79-L385 HydrophobicContact CG-CD2 4.21Å; P79-L385 HydrophobicContact CG-CG 3.99Å
80	G	98.8	Very high	97.8	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.021	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-68	143.2	179.8	0	0	0	0	0	111.3	T118 D392	G80-T118 VanDerWaalsContact CA-OG1 3.3Å; G80-T118 WeakPolarHBondContact CA-OG1 3.37Å; G80-D392 PolarHBondContact N-O 3.5Å
81	Y	98.9	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	147.6	-175.5	-55.5	-46.6	0	0	0	111.4	S115 G116 V117 T118 S119 M346 D347 V350 A368 T369 L396 V402	Y81-S115 VanDerWaalsContact CD2-O 3.25Å; Y81-S115 WeakPolarHBondContact CD2-O 3.34Å; Y81-G116 PolarHBondContact N-O 3.46Å; Y81-V117 WeakPolarHBondContact O-CA 3.46Å; Y81-T118 PolarHBondContact O-N 3.45Å; Y81-S119 PolarHBondContact O-N 3.42Å; Y81-M346 HydrophobicContact CD2-CB 4.43Å; Y81-M346 HydrophobicContact CD2-CG 3.91Å; Y81-M346 HydrophobicContact CG-CG 3.92Å; Y81-D347 HydrophobicContact CE2-CB 4.04Å; Y81-V350 HydrophobicContact CE1-CG2 4.09Å; Y81-A368 CarbonylContact C-O 3.55Å; Y81-A368 VanDerWaalsContact CA-O 3.28Å; Y81-A368 WeakPolarHBondContact CA-O 3.44Å; Y81-A368 HydrophobicContact CD1-CB 3.71Å; Y81-A368 HydrophobicContact CE1-CB 4.28Å; Y81-A368 HydrophobicContact CG-CB 4.29Å; Y81-T369 HydrophobicContact CD1-CG2 3.76Å; Y81-T369 HydrophobicContact CE1-CG2 4.37Å; Y81-L396 WeakPolarHBondContact OH-CD1 3.46Å; Y81-V402 HydrophobicContact CE2-CG2 4.46Å
82	I	98.9	Very high	97.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.5	179.8	-50.6	-174.8	0	0	0	108.9	L84 S119 L150 A368 P372 A373 K382	I82-L84 HydrophobicContact CG2-CD2 3.78Å; I82-S119 VanDerWaalsContact CA-O 3.3Å; I82-S119 WeakPolarHBondContact CA-O 3.31Å; I82-S119 WeakPolarHBondContact CG1-OG 3.1Å; I82-L150 HydrophobicContact CG2-CD1 3.57Å; I82-A368 PolarHBondContact N-O 3.21Å; I82-P372 HydrophobicContact CB-CB 4Å; I82-P372 HydrophobicContact CB-CG 3.83Å; I82-P372 HydrophobicContact CG2-CB 4.03Å; I82-P372 HydrophobicContact CG2-CG 4.42Å; I82-A373 HydrophobicContact CD1-CB 3.83Å; I82-K382 HydrophobicContact CD1-CB 4.14Å
83	D	98.8	Very high	97.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.9	178.5	-161.3	-4.5	0	0	0	111.6	Q85 V117 S119 F120 C121 T304 M346	D83-Q85 PolarHBondContact OD1-N 3.17Å; D83-V117 HydrophobicContact CB-CG1 4.32Å; D83-S119 PolarHBondContact N-O 2.87Å; D83-S119 VanDerWaalsContact N-O 3.08Å; D83-F120 HydrophobicContact CB-CB 4.11Å; D83-F120 CarbonylContact O-C 3.41Å; D83-F120 WeakPolarHBondContact O-CA 3.32Å; D83-F120 WeakPolarHBondContact O-CB 3.3Å; D83-C121 PolarHBondContact O-N 3.15Å; D83-T304 PolarHBondContact OD1-N 2.96Å; D83-T304 WeakPolarHBondContact OD2-CB 2.97Å; D83-T304 WeakPolarHBondContact OD2-CG2 3.29Å; D83-T304 PolarHBondContact OD2-OG1 3.03Å; D83-M346 HydrophobicContact CB-CE 3.65Å; D83-M346 VanDerWaalsContact CG-CE 3.46Å
84	L	98.8	Very high	97.7	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-12.6	-176.5	-59.4	-168.9	0	0	0	113.7	I82 H153 I194 I301 V303 P372 C375 L376	I82-L84 HydrophobicContact CG2-CD2 3.78Å; L84-H153 PolarHBondContact O-ND1 2.92Å; L84-I194 HydrophobicContact CB-CD1 4Å; L84-I194 HydrophobicContact CD1-CD1 4.46Å; L84-I194 HydrophobicContact CD2-CD1 4.41Å; L84-I301 HydrophobicContact CD1-CD1 3.95Å; L84-I301 HydrophobicContact CD1-CG2 4.23Å; L84-I301 HydrophobicContact CG-CG2 4.49Å; L84-V303 HydrophobicContact CB-CG1 4.19Å; L84-P372 HydrophobicContact CD1-CB 3.72Å; L84-P372 HydrophobicContact CD2-CB 4.07Å; L84-P372 HydrophobicContact CG-CB 3.71Å; L84-C375 HydrophobicContact CD1-CB 4.41Å; L84-L376 HydrophobicContact CD1-CG 4.36Å; L84-L376 HydrophobicContact CD2-CD1 3.45Å; L84-L376 VanDerWaalsContact CD2-CD1 3.45Å; L84-L376 HydrophobicContact CD2-CD2 4.48Å; L84-L376 HydrophobicContact CD2-CG 3.88Å
85	Q	98.6	Very high	97.6	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	105.3	-178.8	-172.3	174	10.3	0	0	110.2	D83 T123 E155 T242 H243 V303 T304 D305	D83-Q85 PolarHBondContact OD1-N 3.17Å; Q85-T123 WeakPolarHBondContact CA-OG1 3.44Å; Q85-T123 HydrophobicContact CG-CG2 4.35Å; Q85-E155 PolarHBondContact NE2-OE1 2.81Å; Q85-E155 PolarHBondContact NE2-OE2 3.5Å; Q85-T242 VanDerWaalsContact OE1-CG2 3.3Å; Q85-H243 PolarHBondContact NE2-CD2 3.23Å; Q85-V303 HydrophobicContact CB-CB 3.97Å; Q85-V303 HydrophobicContact CB-CG1 4.06Å; Q85-V303 HydrophobicContact CB-CG2 4.35Å; Q85-T304 PolarHBondContact O-OG1 3.34Å; Q85-D305 HydrophobicContact CG-CB 4.3Å; Q85-D305 PolarHBondContact NE2-OD1 2.58Å; Q85-D305 VanDerWaalsContact O-CA 3.25Å; Q85-D305 WeakPolarHBondContact O-CA 3.38Å; Q85-D305 PolarHBondContact O-N 2.91Å
86	I	98	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	121.2	176.1	178.5	166.4	0	0	0	109.6	G88 V108 L112 F120 T123 A306 L310	I86-G88 WeakPolarHBondContact CD1-O 3.31Å; I86-G88 VanDerWaalsContact CG1-O 3.3Å; I86-G88 WeakPolarHBondContact CG1-O 3.48Å; I86-V108 HydrophobicContact CD1-CG1 4.17Å; I86-L112 HydrophobicContact CD1-CD1 4.15Å; I86-L112 HydrophobicContact CD1-CD2 3.72Å; I86-L112 HydrophobicContact CD1-CG 4.36Å; I86-F120 HydrophobicContact CG2-CB 4.29Å; I86-F120 HydrophobicContact CG2-CD2 3.57Å; I86-F120 HydrophobicContact CG2-CE2 4.39Å; I86-F120 HydrophobicContact CG2-CG 4.39Å; I86-T123 PolarHBondContact N-OG1 3.05Å; I86-T123 WeakPolarHBondContact O-CA 3.43Å; I86-T123 WeakPolarHBondContact O-CB 3.38Å; I86-T123 PolarHBondContact O-N 2.79Å; I86-T123 PolarHBondContact O-OG1 2.67Å; I86-A306 HydrophobicContact CD1-CB 4.08Å; I86-A306 HydrophobicContact CG1-CB 4.02Å; I86-L310 HydrophobicContact CD1-CD2 4.04Å
87	N	96.8	Very high	97.2	Very high	13 Å²	13	15.5 Å²	15.5	7%	0.07	9%	0.085	C	C	.	.			trans	-88.3	-17.7	-174.2	-55.3	-71.9	0	0	0	112.6	F94 T123 V125 D305 A306 I307	N87-F94 VanDerWaalsContact C-CD2 3.4Å; N87-F94 WeakPolarHBondContact O-CB 3.18Å; N87-F94 WeakPolarHBondContact O-CD2 3.31Å; N87-F94 WeakPolarHBondContact O-CG 3.34Å; N87-F94 PolarHBondContact O-N 3.19Å; N87-T123 WeakPolarHBondContact OD1-CG2 3.46Å; N87-V125 WeakPolarHBondContact OD1-CG1 3.36Å; N87-D305 PolarHBondContact ND2-OD1 2.93Å; N87-A306 WeakPolarHBondContact CA-O 3.23Å; N87-A306 WeakPolarHBondContact CB-O 3.17Å; N87-A306 PolarHBondContact N-O 3.07Å; N87-I307 HydrophobicContact CB-CG2 4.46Å
88	G	96.8	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-167.9	-178.2	0	0	0	0	0	112.9	I86 V92 A306 I307	I86-G88 WeakPolarHBondContact CD1-O 3.31Å; I86-G88 VanDerWaalsContact CG1-O 3.3Å; I86-G88 WeakPolarHBondContact CG1-O 3.48Å; G88-V92 CarbonylContact C-O 3.52Å; G88-V92 WeakPolarHBondContact CA-O 3.45Å; G88-A306 PolarHBondContact N-O 2.93Å; G88-I307 CarbonylContact C-O 3.47Å
89	G	96.8	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	166.8	175	0	0	0	0	0	111.8	G91 V92 V108 I307 S308	G89-G91 PolarHBondContact O-N 3.43Å; G89-G91 VanDerWaalsContact O-N 3.13Å; G89-V92 PolarHBondContact N-O 3.07Å; G89-V92 WeakPolarHBondContact O-CB 3.47Å; G89-V92 PolarHBondContact O-N 3.35Å; G89-V108 VanDerWaalsContact O-CG2 3.27Å; G89-V108 WeakPolarHBondContact O-CG2 3.46Å; G89-I307 WeakPolarHBondContact CA-O 3.23Å; G89-S308 CarbonylContact C-O 3.35Å
90	Y	96	Very high	96.5	Very high	51 Å²	51	28.7 Å²	28.7	20%	0.2	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	37.9	175.8	-48.2	-80.1	0	0	0	113.3	G111 S308 L310	Y90-G111 VanDerWaalsContact CZ-C 3.46Å; Y90-G111 PolarHBondContact OH-O 2.85Å; Y90-S308 PolarHBondContact N-O 3.4Å; Y90-L310 WeakPolarHBondContact CA-O 3.36Å; Y90-L310 HydrophobicContact CE2-CD2 4.35Å; Y90-L310 PolarHBondContact N-O 3.32Å
91	G	94.6	Very high	96.4	Very high	46 Å²	46	28.6 Å²	28.6	47%	0.474	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	2.5	-179.6	0	0	0	0	0	115.3	G89 S308	G89-G91 PolarHBondContact O-N 3.43Å; G89-G91 VanDerWaalsContact O-N 3.13Å; G91-S308 PolarHBondContact N-O 2.78Å
92	V	96.5	Very high	96.4	Very high	16 Å²	16	32.1 Å²	32.1	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	-177.9	179.7	0	0	0	0	110.9	G88 G89 F94 D97 T107 V108 S308	G88-V92 CarbonylContact C-O 3.52Å; G88-V92 WeakPolarHBondContact CA-O 3.45Å; G89-V92 PolarHBondContact N-O 3.07Å; G89-V92 WeakPolarHBondContact O-CB 3.47Å; G89-V92 PolarHBondContact O-N 3.35Å; V92-F94 HydrophobicContact CG1-CD1 3.97Å; V92-F94 HydrophobicContact CG1-CE1 4.07Å; V92-D97 WeakPolarHBondContact CA-OD2 3.38Å; V92-T107 HydrophobicContact CG2-CG2 4.42Å; V92-V108 HydrophobicContact CB-CG2 3.94Å; V92-V108 HydrophobicContact CG1-CG2 4.34Å; V92-V108 HydrophobicContact CG2-CG2 4.44Å; V92-S308 VanDerWaalsContact O-CA 3.24Å; V92-S308 WeakPolarHBondContact O-CA 3.25Å; V92-S308 WeakPolarHBondContact O-CB 3.25Å
93	D	95.6	Very high	96.3	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.4	168.3	-178	-40.5	0	0	0	109.8	S95 Y96 D97 G320	D93-S95 PolarHBondContact O-N 2.95Å; D93-S95 PolarHBondContact OD1-N 3.24Å; D93-Y96 PolarHBondContact O-N 3.32Å; D93-Y96 PolarHBondContact OD1-N 3.5Å; D93-Y96 VanDerWaalsContact OD1-N 3.15Å; D93-D97 PolarHBondContact N-OD2 2.75Å; D93-D97 WeakPolarHBondContact O-CB 3.27Å; D93-D97 PolarHBondContact O-N 2.86Å; D93-G320 PolarHBondContact OD2-N 2.98Å
94	F	96.9	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.4	-173.4	-58.9	-36.2	0	0	0	114.4	N87 V92 I101 V105 V108 F120 P122 L124	N87-F94 VanDerWaalsContact C-CD2 3.4Å; N87-F94 WeakPolarHBondContact O-CB 3.18Å; N87-F94 WeakPolarHBondContact O-CD2 3.31Å; N87-F94 WeakPolarHBondContact O-CG 3.34Å; N87-F94 PolarHBondContact O-N 3.19Å; V92-F94 HydrophobicContact CG1-CD1 3.97Å; V92-F94 HydrophobicContact CG1-CE1 4.07Å; F94-I101 HydrophobicContact CB-CD1 4.14Å; F94-I101 HydrophobicContact CD1-CD1 4.21Å; F94-I101 WeakPolarHBondContact O-CD1 3.3Å; F94-V105 HydrophobicContact CD1-CG2 3.73Å; F94-V105 HydrophobicContact CE1-CB 4.28Å; F94-V105 HydrophobicContact CE1-CG2 3.71Å; F94-V105 HydrophobicContact CZ-CG2 4.45Å; F94-V108 HydrophobicContact CE1-CB 3.92Å; F94-V108 HydrophobicContact CE1-CG1 4.46Å; F94-V108 HydrophobicContact CE1-CG2 3.54Å; F94-V108 HydrophobicContact CZ-CB 3.63Å; F94-V108 HydrophobicContact CZ-CG1 3.7Å; F94-V108 HydrophobicContact CZ-CG2 3.63Å; F94-F120 HydrophobicContact CE2-CE2 4.24Å; F94-F120 HydrophobicContact CZ-CE2 4.12Å; F94-P122 HydrophobicContact CD2-CB 3.83Å; F94-P122 HydrophobicContact CE2-CB 3.85Å; F94-P122 HydrophobicContact CG-CB 4.46Å; F94-P122 HydrophobicContact CZ-CB 4.49Å; F94-L124 HydrophobicContact CB-CD2 3.71Å; F94-L124 WeakPolarHBondContact O-CD2 3.38Å
95	S	95.5	Very high	96.2	Very high	13 Å²	13	38.5 Å²	38.5	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-19.6	-179	-56.2	0	0	0	0	112.2	D93 L124 V125	D93-S95 PolarHBondContact O-N 2.95Å; D93-S95 PolarHBondContact OD1-N 3.24Å; S95-L124 WeakPolarHBondContact OG-CA 3.18Å; S95-V125 WeakPolarHBondContact OG-CG2 3.25Å; S95-V125 PolarHBondContact OG-N 2.98Å
96	Y	93.5	Very high	96.2	Very high	113 Å²	113	39 Å²	39	44%	0.443	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-42.4	-175.9	-175.3	-105.9	0	0	0	114.1	D93 T98 G320 Q321	D93-Y96 PolarHBondContact O-N 3.32Å; D93-Y96 PolarHBondContact OD1-N 3.5Å; D93-Y96 VanDerWaalsContact OD1-N 3.15Å; Y96-T98 PolarHBondContact O-N 2.82Å; Y96-G320 VanDerWaalsContact CG-CA 3.49Å; Y96-Q321 HydrophobicContact CD2-CG 4.25Å; Y96-Q321 HydrophobicContact CE2-CB 4.49Å; Y96-Q321 HydrophobicContact CE2-CG 3.38Å
97	D	93.7	Very high	96.2	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	22%	0.218	C	C	.	.			trans	-80.5	51.6	-177	-61.1	-39.9	0	0	0	111.4	V92 D93 E99 T100 I101	V92-D97 WeakPolarHBondContact CA-OD2 3.38Å; D93-D97 PolarHBondContact N-OD2 2.75Å; D93-D97 WeakPolarHBondContact O-CB 3.27Å; D93-D97 PolarHBondContact O-N 2.86Å; D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.21Å; D97-T100 PolarHBondContact O-N 3.2Å; D97-I101 PolarHBondContact O-N 3.36Å
98	T	93.5	Very high	96.3	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.221	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.4	-168.7	67.4	0	0	0	0	113.1	Y96 I135 R138	Y96-T98 PolarHBondContact O-N 2.82Å; T98-I135 HydrophobicContact CG2-CD1 3.67Å; T98-I135 HydrophobicContact CG2-CG1 3.97Å; T98-R138 PolarHBondContact O-NH1 3Å
99	E	94.3	Very high	96.4	Very high	169 Å²	169	40.5 Å²	40.5	79%	0.79	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.8	-179.7	-66.1	-171	172.3	0	0	112.4	D97 R138	D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.21Å; E99-R138 PolarHBondContact O-NH2 3.36Å
100	T	95.5	Very high	96.4	Very high	77 Å²	77	45.5 Å²	45.5	47%	0.472	23%	0.233	S	C	.	.	S	Bend	trans	-115.1	21	-175.5	54.7	0	0	0	0	112.7	D97 E102 E103 G104	D97-T100 PolarHBondContact O-N 3.2Å; T100-E102 VanDerWaalsContact C-N 3.27Å; T100-E102 PolarHBondContact O-N 2.8Å; T100-E102 VanDerWaalsContact O-N 3.09Å; T100-E103 PolarHBondContact O-N 3.29Å; T100-G104 PolarHBondContact O-N 2.91Å
101	I	96.9	Very high	96.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-35.8	-167.3	-169	58.6	0	0	0	114.3	F94 D97 G104 V105 I135 R138 I139	F94-I101 HydrophobicContact CB-CD1 4.14Å; F94-I101 HydrophobicContact CD1-CD1 4.21Å; F94-I101 WeakPolarHBondContact O-CD1 3.3Å; D97-I101 PolarHBondContact O-N 3.36Å; I101-G104 PolarHBondContact O-N 3.21Å; I101-V105 HydrophobicContact CD1-CG2 3.91Å; I101-V105 HydrophobicContact CG1-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.39Å; I101-V105 WeakPolarHBondContact O-CG2 3.28Å; I101-V105 PolarHBondContact O-N 3.19Å; I101-I135 HydrophobicContact CD1-CG2 4.32Å; I101-I135 HydrophobicContact CG1-CG1 4.41Å; I101-I135 HydrophobicContact CG1-CG2 3.83Å; I101-R138 HydrophobicContact CG2-CB 3.78Å; I101-I139 HydrophobicContact CD1-CD1 4.22Å; I101-I139 HydrophobicContact CG1-CD1 3.73Å
102	E	97.4	Very high	96.7	Very high	73 Å²	73	41.2 Å²	41.2	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-46.5	177.8	-59.4	96.1	147.1	0	0	112.1	T100 A106 R138	T100-E102 VanDerWaalsContact C-N 3.27Å; T100-E102 PolarHBondContact O-N 2.8Å; T100-E102 VanDerWaalsContact O-N 3.09Å; E102-A106 VanDerWaalsContact O-CB 3.28Å; E102-A106 WeakPolarHBondContact O-CB 3.37Å; E102-A106 PolarHBondContact O-N 2.93Å; E102-A106 VanDerWaalsContact O-N 3.13Å; E102-R138 VanDerWaalsContact CD-NE 3.33Å; E102-R138 HydrophobicContact CG-CB 4.09Å; E102-R138 WeakPolarHBondContact CG-O 3.37Å; E102-R138 IonicContact OE1-CZ 3.75Å; E102-R138 IonicContact OE1-NE 3.65Å; E102-R138 PolarHBondContact OE1-NE 2.89Å; E102-R138 IonicContact OE1-NH2 3.05Å; E102-R138 PolarHBondContact OE1-NH2 2.84Å; E102-R138 IonicContact OE2-CZ 3.71Å; E102-R138 IonicContact OE2-NE 3.25Å; E102-R138 PolarHBondContact OE2-NE 3.05Å; E102-R138 IonicContact OE2-NH2 3.96Å; E102-R138 PolarHBondContact OE2-NH2 3.31Å
103	E	97.6	Very high	96.8	Very high	135 Å²	135	40.7 Å²	40.7	63%	0.631	20%	0.201	S	C	*	.	H	α-helix	trans	-70.8	-37.8	177.2	-176.7	172.8	-169.5	0	0	111.2	T100 A106 T107	T100-E103 PolarHBondContact O-N 3.29Å; E103-A106 PolarHBondContact O-N 3.07Å; E103-T107 WeakPolarHBondContact O-CB 3.4Å; E103-T107 PolarHBondContact O-N 2.82Å; E103-T107 PolarHBondContact O-OG1 2.84Å
104	G	97.5	Very high	96.9	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-53	177.3	0	0	0	0	0	112	T100 I101 A106 T107 V108	T100-G104 PolarHBondContact O-N 2.91Å; I101-G104 PolarHBondContact O-N 3.21Å; G104-A106 VanDerWaalsContact C-N 3.29Å; G104-A106 PolarHBondContact O-N 2.92Å; G104-T107 WeakPolarHBondContact O-CB 3.34Å; G104-T107 PolarHBondContact O-N 3.4Å; G104-T107 VanDerWaalsContact O-N 3.11Å; G104-V108 PolarHBondContact O-N 3Å
105	V	98.3	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-41.1	176.2	172.7	0	0	0	0	111.2	F94 I101 T107 V108 A109 F120 P122 I139 P140 I149	F94-V105 HydrophobicContact CD1-CG2 3.73Å; F94-V105 HydrophobicContact CE1-CB 4.28Å; F94-V105 HydrophobicContact CE1-CG2 3.71Å; F94-V105 HydrophobicContact CZ-CG2 4.45Å; I101-V105 HydrophobicContact CD1-CG2 3.91Å; I101-V105 HydrophobicContact CG1-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.39Å; I101-V105 WeakPolarHBondContact O-CG2 3.28Å; I101-V105 PolarHBondContact O-N 3.19Å; V105-T107 VanDerWaalsContact C-N 3.29Å; V105-T107 PolarHBondContact O-N 2.79Å; V105-V108 PolarHBondContact O-N 3.18Å; V105-A109 VanDerWaalsContact O-CB 3.32Å; V105-A109 WeakPolarHBondContact O-CB 3.01Å; V105-A109 PolarHBondContact O-N 3.08Å; V105-F120 HydrophobicContact CG1-CZ 4.26Å; V105-P122 HydrophobicContact CG1-CG 4.35Å; V105-I139 HydrophobicContact CG1-CG2 4.48Å; V105-I139 HydrophobicContact CG2-CD1 3.55Å; V105-P140 HydrophobicContact CB-CG 4.43Å; V105-P140 HydrophobicContact CG1-CG 4.07Å; V105-I149 HydrophobicContact CG1-CD1 3.5Å; V105-I149 VanDerWaalsContact CG1-CD1 3.5Å; V105-I149 HydrophobicContact CG1-CG1 4.35Å
106	A	98.3	Very high	97.1	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-35.2	177	0	0	0	0	0	112.5	E102 E103 G104 R110 V143	E102-A106 VanDerWaalsContact O-CB 3.28Å; E102-A106 WeakPolarHBondContact O-CB 3.37Å; E102-A106 PolarHBondContact O-N 2.93Å; E102-A106 VanDerWaalsContact O-N 3.13Å; E103-A106 PolarHBondContact O-N 3.07Å; G104-A106 VanDerWaalsContact C-N 3.29Å; G104-A106 PolarHBondContact O-N 2.92Å; A106-R110 WeakPolarHBondContact O-CG 3.39Å; A106-R110 VanDerWaalsContact O-CZ 3.25Å; A106-R110 PolarHBondContact O-N 3.24Å; A106-R110 VanDerWaalsContact O-N 3.12Å; A106-R110 PolarHBondContact O-NE 2.8Å; A106-V143 HydrophobicContact CB-CG1 3.88Å; A106-V143 HydrophobicContact CB-CG2 4.22Å
107	T	98.1	Very high	97.4	Very high	45 Å²	45	40 Å²	40	28%	0.276	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-47.3	175.5	-65	0	0	0	0	111.1	V92 E103 G104 V105 R110 G111	V92-T107 HydrophobicContact CG2-CG2 4.42Å; E103-T107 WeakPolarHBondContact O-CB 3.4Å; E103-T107 PolarHBondContact O-N 2.82Å; E103-T107 PolarHBondContact O-OG1 2.84Å; G104-T107 WeakPolarHBondContact O-CB 3.34Å; G104-T107 PolarHBondContact O-N 3.4Å; G104-T107 VanDerWaalsContact O-N 3.11Å; V105-T107 VanDerWaalsContact C-N 3.29Å; V105-T107 PolarHBondContact O-N 2.79Å; T107-R110 PolarHBondContact O-N 3.48Å; T107-G111 PolarHBondContact O-N 2.95Å
108	V	98.4	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-47.9	176.7	-179.7	0	0	0	0	111.3	I86 G89 V92 F94 G104 V105 R110 G111 L112	I86-V108 HydrophobicContact CD1-CG1 4.17Å; G89-V108 VanDerWaalsContact O-CG2 3.27Å; G89-V108 WeakPolarHBondContact O-CG2 3.46Å; V92-V108 HydrophobicContact CB-CG2 3.94Å; V92-V108 HydrophobicContact CG1-CG2 4.34Å; V92-V108 HydrophobicContact CG2-CG2 4.44Å; F94-V108 HydrophobicContact CE1-CB 3.92Å; F94-V108 HydrophobicContact CE1-CG1 4.46Å; F94-V108 HydrophobicContact CE1-CG2 3.54Å; F94-V108 HydrophobicContact CZ-CB 3.63Å; F94-V108 HydrophobicContact CZ-CG1 3.7Å; F94-V108 HydrophobicContact CZ-CG2 3.63Å; G104-V108 PolarHBondContact O-N 3Å; V105-V108 PolarHBondContact O-N 3.18Å; V108-R110 VanDerWaalsContact C-N 3.28Å; V108-R110 PolarHBondContact O-N 2.86Å; V108-G111 WeakPolarHBondContact O-CA 3.39Å; V108-G111 PolarHBondContact O-N 3.05Å; V108-L112 HydrophobicContact CG1-CD1 3.93Å; V108-L112 HydrophobicContact CG1-CG 3.98Å; V108-L112 WeakPolarHBondContact O-CB 3.33Å; V108-L112 WeakPolarHBondContact O-CG 3.5Å; V108-L112 PolarHBondContact O-N 2.92Å
109	A	98.7	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.1	-40	178.4	0	0	0	0	0	112.8	V105 F120 V143 G146 A147	V105-A109 VanDerWaalsContact O-CB 3.32Å; V105-A109 WeakPolarHBondContact O-CB 3.01Å; V105-A109 PolarHBondContact O-N 3.08Å; A109-F120 HydrophobicContact CB-CE1 3.72Å; A109-F120 HydrophobicContact CB-CZ 3.94Å; A109-V143 HydrophobicContact CB-CB 3.9Å; A109-V143 HydrophobicContact CB-CG1 3.92Å; A109-V143 HydrophobicContact CB-CG2 3.85Å; A109-G146 CarbonylContact O-C 3.47Å; A109-G146 VanDerWaalsContact O-CA 3.28Å; A109-G146 WeakPolarHBondContact O-CA 3.39Å; A109-A147 PolarHBondContact O-N 3.38Å
110	R	98.3	Very high	98.1	Very high	105 Å²	105	28.3 Å²	28.3	40%	0.396	14%	0.14	S	C	.	.	H	α-helix	trans	-74.1	-23.8	175.5	-74.8	-174.9	-68.1	-94.5	0.1	113.8	A106 T107 V108 V113 V143	A106-R110 WeakPolarHBondContact O-CG 3.39Å; A106-R110 VanDerWaalsContact O-CZ 3.25Å; A106-R110 PolarHBondContact O-N 3.24Å; A106-R110 VanDerWaalsContact O-N 3.12Å; A106-R110 PolarHBondContact O-NE 2.8Å; T107-R110 PolarHBondContact O-N 3.48Å; V108-R110 VanDerWaalsContact C-N 3.28Å; V108-R110 PolarHBondContact O-N 2.86Å; R110-V113 VanDerWaalsContact O-CG2 3.3Å; R110-V113 WeakPolarHBondContact O-CG2 3.46Å; R110-V143 HydrophobicContact CG-CG1 4.16Å
111	G	98.1	Very high	98.2	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-77.2	-43.6	173.8	0	0	0	0	0	112	Y90 T107 V108 V113 K114	Y90-G111 VanDerWaalsContact CZ-C 3.46Å; Y90-G111 PolarHBondContact OH-O 2.85Å; T107-G111 PolarHBondContact O-N 2.95Å; V108-G111 WeakPolarHBondContact O-CA 3.39Å; V108-G111 PolarHBondContact O-N 3.05Å; G111-V113 PolarHBondContact O-N 2.94Å; G111-V113 VanDerWaalsContact O-N 3.16Å; G111-K114 VanDerWaalsContact O-CB 3.27Å; G111-K114 WeakPolarHBondContact O-CB 3.39Å; G111-K114 VanDerWaalsContact O-CG 3.3Å; G111-K114 WeakPolarHBondContact O-CG 3.4Å; G111-K114 PolarHBondContact O-N 3.23Å
112	L	98.7	Very high	98.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-56.4	-31.2	-177	-79.6	-179.6	0	0	0	114.4	I86 V108 K114 S115 V117 F120 A147 L310	I86-L112 HydrophobicContact CD1-CD1 4.15Å; I86-L112 HydrophobicContact CD1-CD2 3.72Å; I86-L112 HydrophobicContact CD1-CG 4.36Å; V108-L112 HydrophobicContact CG1-CD1 3.93Å; V108-L112 HydrophobicContact CG1-CG 3.98Å; V108-L112 WeakPolarHBondContact O-CB 3.33Å; V108-L112 WeakPolarHBondContact O-CG 3.5Å; V108-L112 PolarHBondContact O-N 2.92Å; L112-K114 PolarHBondContact O-N 3.14Å; L112-S115 PolarHBondContact O-N 2.69Å; L112-S115 PolarHBondContact O-OG 3.2Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.24Å; L112-V117 HydrophobicContact CD1-CG1 4.19Å; L112-V117 HydrophobicContact CD2-CB 4.47Å; L112-V117 HydrophobicContact CD2-CG2 4.41Å; L112-V117 PolarHBondContact O-N 3.34Å; L112-F120 HydrophobicContact CD1-CB 4.17Å; L112-F120 HydrophobicContact CD1-CD1 3.84Å; L112-F120 HydrophobicContact CD1-CD2 3.86Å; L112-F120 HydrophobicContact CD1-CE1 4.15Å; L112-F120 HydrophobicContact CD1-CE2 4.13Å; L112-F120 HydrophobicContact CD1-CG 3.68Å; L112-F120 HydrophobicContact CD1-CZ 4.28Å; L112-A147 HydrophobicContact CB-CB 4.28Å; L112-L310 HydrophobicContact CD2-CD2 4.19Å
113	V	98.4	Very high	98.4	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.03	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-62.5	-19.6	177.7	-60.6	0	0	0	0	113	R110 G111 S115 G116 T405 I407 V412 H413	R110-V113 VanDerWaalsContact O-CG2 3.3Å; R110-V113 WeakPolarHBondContact O-CG2 3.46Å; G111-V113 PolarHBondContact O-N 2.94Å; G111-V113 VanDerWaalsContact O-N 3.16Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.34Å; V113-G116 PolarHBondContact O-N 2.9Å; V113-T405 HydrophobicContact CB-CG2 4.19Å; V113-T405 VanDerWaalsContact O-CB 3.29Å; V113-T405 WeakPolarHBondContact O-CB 3.15Å; V113-T405 PolarHBondContact O-OG1 3.3Å; V113-I407 HydrophobicContact CG1-CD1 3.9Å; V113-V412 HydrophobicContact CB-CG2 3.96Å; V113-V412 HydrophobicContact CG1-CG2 3.81Å; V113-V412 HydrophobicContact CG2-CG2 4.42Å; V113-H413 HydrophobicContact CB-CB 4.24Å; V113-H413 HydrophobicContact CG2-CB 3.98Å
114	K	97.8	Very high	98.4	Very high	122 Å²	122	14.8 Å²	14.8	53%	0.53	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-68.5	-29.1	175.4	-61	175.2	-176.4	174.8	0	112.5	G111 L112	G111-K114 VanDerWaalsContact O-CB 3.27Å; G111-K114 WeakPolarHBondContact O-CB 3.39Å; G111-K114 VanDerWaalsContact O-CG 3.3Å; G111-K114 WeakPolarHBondContact O-CG 3.4Å; G111-K114 PolarHBondContact O-N 3.23Å; L112-K114 PolarHBondContact O-N 3.14Å
115	S	98	Very high	98.3	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-98.3	14.3	177.2	57.9	0	0	0	0	112.8	Y81 L112 V113 V117 D347	Y81-S115 VanDerWaalsContact CD2-O 3.25Å; Y81-S115 WeakPolarHBondContact CD2-O 3.34Å; L112-S115 PolarHBondContact O-N 2.69Å; L112-S115 PolarHBondContact O-OG 3.2Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.34Å; S115-V117 VanDerWaalsContact C-N 3.28Å; S115-V117 PolarHBondContact O-N 3.07Å; S115-D347 WeakPolarHBondContact CB-OD1 3.32Å; S115-D347 WeakPolarHBondContact O-CB 3.09Å
116	G	98.5	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.5	175.8	0	0	0	0	0	115	Y81 V113 T118 V394	Y81-G116 PolarHBondContact N-O 3.46Å; V113-G116 PolarHBondContact O-N 2.9Å; G116-T118 PolarHBondContact O-N 3.23Å; G116-V394 VanDerWaalsContact CA-CG1 3.46Å; G116-V394 VanDerWaalsContact O-CG1 3.23Å; G116-V394 WeakPolarHBondContact O-CG1 3.41Å
117	V	98.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.4	174.9	177.7	0	0	0	0	109.1	Y81 D83 L112 S115 S119 F120 A147 M346	Y81-V117 WeakPolarHBondContact O-CA 3.46Å; D83-V117 HydrophobicContact CB-CG1 4.32Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.24Å; L112-V117 HydrophobicContact CD1-CG1 4.19Å; L112-V117 HydrophobicContact CD2-CB 4.47Å; L112-V117 HydrophobicContact CD2-CG2 4.41Å; L112-V117 PolarHBondContact O-N 3.34Å; S115-V117 VanDerWaalsContact C-N 3.28Å; S115-V117 PolarHBondContact O-N 3.07Å; V117-S119 VanDerWaalsContact CG1-O 3.27Å; V117-S119 WeakPolarHBondContact CG1-O 3.47Å; V117-F120 HydrophobicContact CG1-CB 4.26Å; V117-A147 HydrophobicContact CG1-CB 4.27Å; V117-M346 HydrophobicContact CG2-CB 3.48Å; V117-M346 VanDerWaalsContact CG2-CB 3.48Å; V117-M346 HydrophobicContact CG2-CG 3.97Å
118	T	98.8	Very high	98	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-16.9	176.9	57.2	0	0	0	0	112.3	G80 Y81 G116 A147 G148 D392 T405 I407	G80-T118 VanDerWaalsContact CA-OG1 3.3Å; G80-T118 WeakPolarHBondContact CA-OG1 3.37Å; Y81-T118 PolarHBondContact O-N 3.45Å; G116-T118 PolarHBondContact O-N 3.23Å; T118-A147 CarbonylContact O-C 3.58Å; T118-A147 VanDerWaalsContact O-CA 3.32Å; T118-A147 WeakPolarHBondContact O-CA 3.49Å; T118-G148 PolarHBondContact O-N 3.41Å; T118-D392 HydrophobicContact CG2-CB 4.22Å; T118-T405 HydrophobicContact CG2-CG2 3.62Å; T118-I407 HydrophobicContact CG2-CG1 3.92Å
119	S	98.7	Very high	97.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.9	172.9	61.1	0	0	0	0	112.5	Y81 I82 D83 V117 G148	Y81-S119 PolarHBondContact O-N 3.42Å; I82-S119 VanDerWaalsContact CA-O 3.3Å; I82-S119 WeakPolarHBondContact CA-O 3.31Å; I82-S119 WeakPolarHBondContact CG1-OG 3.1Å; D83-S119 PolarHBondContact N-O 2.87Å; D83-S119 VanDerWaalsContact N-O 3.08Å; V117-S119 VanDerWaalsContact CG1-O 3.27Å; V117-S119 WeakPolarHBondContact CG1-O 3.47Å; S119-G148 CarbonylContact C-O 3.59Å; S119-G148 WeakPolarHBondContact CA-O 3.38Å
120	F	98.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	166.3	-176.6	73.1	-68.1	0	0	0	112.8	D83 I86 F94 V105 A109 L112 V117 P122 A147 G148 I149 L150	D83-F120 HydrophobicContact CB-CB 4.11Å; D83-F120 CarbonylContact O-C 3.41Å; D83-F120 WeakPolarHBondContact O-CA 3.32Å; D83-F120 WeakPolarHBondContact O-CB 3.3Å; I86-F120 HydrophobicContact CG2-CB 4.29Å; I86-F120 HydrophobicContact CG2-CD2 3.57Å; I86-F120 HydrophobicContact CG2-CE2 4.39Å; I86-F120 HydrophobicContact CG2-CG 4.39Å; F94-F120 HydrophobicContact CE2-CE2 4.24Å; F94-F120 HydrophobicContact CZ-CE2 4.12Å; V105-F120 HydrophobicContact CG1-CZ 4.26Å; A109-F120 HydrophobicContact CB-CE1 3.72Å; A109-F120 HydrophobicContact CB-CZ 3.94Å; L112-F120 HydrophobicContact CD1-CB 4.17Å; L112-F120 HydrophobicContact CD1-CD1 3.84Å; L112-F120 HydrophobicContact CD1-CD2 3.86Å; L112-F120 HydrophobicContact CD1-CE1 4.15Å; L112-F120 HydrophobicContact CD1-CE2 4.13Å; L112-F120 HydrophobicContact CD1-CG 3.68Å; L112-F120 HydrophobicContact CD1-CZ 4.28Å; V117-F120 HydrophobicContact CG1-CB 4.26Å; F120-P122 HydrophobicContact CD2-CG 4.14Å; F120-P122 HydrophobicContact CE2-CB 4.22Å; F120-P122 HydrophobicContact CE2-CG 3.59Å; F120-P122 HydrophobicContact CZ-CG 4.08Å; F120-A147 HydrophobicContact CD1-CB 3.71Å; F120-A147 HydrophobicContact CE1-CB 4.02Å; F120-G148 WeakPolarHBondContact CD1-O 3.47Å; F120-G148 PolarHBondContact N-O 3.3Å; F120-I149 HydrophobicContact CD1-CG1 4.48Å; F120-I149 HydrophobicContact CE1-CG1 3.7Å; F120-I149 HydrophobicContact CZ-CG1 3.88Å; F120-L150 PolarHBondContact O-N 2.86Å
121	C	98.7	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.6	169.2	-72.2	0	0	0	0	110.1	D83 T123 G151 H153 I194	D83-C121 PolarHBondContact O-N 3.15Å; C121-T123 PolarHBondContact O-N 3.4Å; C121-T123 VanDerWaalsContact O-N 3.16Å; C121-T123 PolarHBondContact O-OG1 3.22Å; C121-G151 VanDerWaalsContact CA-O 3.3Å; C121-G151 WeakPolarHBondContact CA-O 3.17Å; C121-G151 WeakPolarHBondContact CB-O 3.27Å; C121-G151 PolarHBondContact SG-O 3.49Å; C121-H153 HydrophobicContact CB-CB 4Å; C121-I194 HydrophobicContact CB-CD1 4.49Å
122	P	98.5	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	124.4	168.2	-19.2	28	0	0	0	109.2	F94 V105 F120 I139 I149 H153	F94-P122 HydrophobicContact CD2-CB 3.83Å; F94-P122 HydrophobicContact CE2-CB 3.85Å; F94-P122 HydrophobicContact CG-CB 4.46Å; F94-P122 HydrophobicContact CZ-CB 4.49Å; V105-P122 HydrophobicContact CG1-CG 4.35Å; F120-P122 HydrophobicContact CD2-CG 4.14Å; F120-P122 HydrophobicContact CE2-CB 4.22Å; F120-P122 HydrophobicContact CE2-CG 3.59Å; F120-P122 HydrophobicContact CZ-CG 4.08Å; P122-I139 HydrophobicContact CG-CG2 4.44Å; P122-I149 HydrophobicContact CG-CG1 4.33Å; P122-I149 HydrophobicContact CG-CG2 3.97Å; P122-H153 PolarHBondContact O-N 2.65Å
123	T	98.4	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.6	-175.6	-53.1	0	0	0	0	110	Q85 I86 N87 C121 H153 E155	Q85-T123 WeakPolarHBondContact CA-OG1 3.44Å; Q85-T123 HydrophobicContact CG-CG2 4.35Å; I86-T123 PolarHBondContact N-OG1 3.05Å; I86-T123 WeakPolarHBondContact O-CA 3.43Å; I86-T123 WeakPolarHBondContact O-CB 3.38Å; I86-T123 PolarHBondContact O-N 2.79Å; I86-T123 PolarHBondContact O-OG1 2.67Å; N87-T123 WeakPolarHBondContact OD1-CG2 3.46Å; C121-T123 PolarHBondContact O-N 3.4Å; C121-T123 VanDerWaalsContact O-N 3.16Å; C121-T123 PolarHBondContact O-OG1 3.22Å; T123-H153 CarbonylContact C-O 3.59Å; T123-H153 VanDerWaalsContact CA-O 3.24Å; T123-H153 WeakPolarHBondContact CA-O 3Å; T123-H153 HydrophobicContact CG2-CB 4.17Å; T123-E155 HydrophobicContact CG2-CB 3.81Å
124	L	97.6	Very high	97.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115	174.6	-56.4	-178.3	0	0	0	108.5	F94 S95 Y132 I135 L136 I152 H153 E155	F94-L124 HydrophobicContact CB-CD2 3.71Å; F94-L124 WeakPolarHBondContact O-CD2 3.38Å; S95-L124 WeakPolarHBondContact OG-CA 3.18Å; L124-Y132 HydrophobicContact CB-CD1 4.35Å; L124-Y132 HydrophobicContact CB-CE1 3.93Å; L124-Y132 HydrophobicContact CD1-CD1 4.1Å; L124-I135 HydrophobicContact CD1-CB 4.15Å; L124-I135 HydrophobicContact CD1-CD1 4.44Å; L124-I135 HydrophobicContact CD1-CG2 3.55Å; L124-I135 HydrophobicContact CD2-CD1 4.28Å; L124-I135 HydrophobicContact CD2-CG2 3.87Å; L124-I135 HydrophobicContact CG-CG2 4.35Å; L124-L136 HydrophobicContact CD1-CD2 3.65Å; L124-L136 HydrophobicContact CD1-CG 4.39Å; L124-I152 HydrophobicContact CD1-CG2 3.87Å; L124-I152 HydrophobicContact CG-CG2 3.9Å; L124-H153 PolarHBondContact N-O 3.02Å; L124-E155 PolarHBondContact O-N 3.5Å
125	V	95.7	Very high	97.4	Very high	33 Å²	33	20.3 Å²	20.3	20%	0.2	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	170.7	176.9	-60.8	0	0	0	0	110.8	N87 S95 S127 Y132 E155	N87-V125 WeakPolarHBondContact OD1-CG1 3.36Å; S95-V125 WeakPolarHBondContact OG-CG2 3.25Å; S95-V125 PolarHBondContact OG-N 2.98Å; V125-S127 PolarHBondContact O-N 3.37Å; V125-S127 PolarHBondContact O-OG 3.36Å; V125-Y132 PolarHBondContact O-OH 3.2Å; V125-E155 CarbonylContact C-O 3.22Å; V125-E155 WeakPolarHBondContact CA-O 3.22Å
126	T	97	Very high	97.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-43.3	115.8	174.2	-59.8	0	0	0	0	110.6	Y132 E155 P157 I159 H167 P168 C171 I172	T126-Y132 WeakPolarHBondContact CA-OH 3.25Å; T126-E155 PolarHBondContact N-O 3.46Å; T126-P157 HydrophobicContact CG2-CB 3.47Å; T126-P157 VanDerWaalsContact CG2-CB 3.47Å; T126-P157 WeakPolarHBondContact OG1-CA 3.33Å; T126-I159 WeakPolarHBondContact OG1-CD1 3.41Å; T126-H167 VanDerWaalsContact CB-ND1 3.34Å; T126-H167 WeakPolarHBondContact CB-ND1 3.46Å; T126-H167 PolarHBondContact N-ND1 3.06Å; T126-H167 PolarHBondContact OG1-ND1 3.21Å; T126-P168 HydrophobicContact CG2-CG 4.26Å; T126-P168 WeakPolarHBondContact O-CD 3.32Å; T126-P168 WeakPolarHBondContact O-CG 3.13Å; T126-C171 HydrophobicContact CG2-CB 3.49Å; T126-C171 VanDerWaalsContact CG2-CB 3.49Å; T126-I172 HydrophobicContact CG2-CG1 3.99Å
127	S	96.3	Very high	97.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.042	15%	0.147	C	C	.	.			trans	-138.1	164.6	-177.1	-64.3	0	0	0	0	109.9	V125 Y132	V125-S127 PolarHBondContact O-N 3.37Å; V125-S127 PolarHBondContact O-OG 3.36Å; S127-Y132 PolarHBondContact N-OH 3.42Å; S127-Y132 VanDerWaalsContact O-CE2 3.25Å; S127-Y132 WeakPolarHBondContact O-CE2 3.32Å
128	P	95.9	Very high	97.1	Very high	65 Å²	65	28.2 Å²	28.2	42%	0.422	16%	0.16	S	C	.	.			trans	-56.7	147.4	166.8	-22.7	33.8	0	0	0	111.5	D130 S131	P128-D130 PolarHBondContact O-N 3.48Å; P128-S131 VanDerWaalsContact O-CB 3.31Å; P128-S131 WeakPolarHBondContact O-CB 3.42Å; P128-S131 PolarHBondContact O-N 2.93Å
129	S	97	Very high	97	Very high	31 Å²	31	28.5 Å²	28.5	22%	0.217	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-38.8	-179	-54.2	0	0	0	0	113	S131 Y132 H133 T185	S129-S131 PolarHBondContact O-N 3.2Å; S129-Y132 PolarHBondContact O-N 3.34Å; S129-Y132 VanDerWaalsContact O-N 3.1Å; S129-H133 PolarHBondContact O-CD2 3.41Å; S129-H133 VanDerWaalsContact O-CG 3.3Å; S129-H133 PolarHBondContact O-N 2.9Å; S129-T185 WeakPolarHBondContact CA-O 3.41Å; S129-T185 WeakPolarHBondContact CB-O 3.37Å
130	D	96.1	Very high	96.8	Very high	121 Å²	121	30 Å²	30	65%	0.647	17%	0.171	S	C	*	.	H	α-helix	trans	-61.8	-30.9	178.6	-67.6	-19.3	0	0	0	113.1	P128 T134	P128-D130 PolarHBondContact O-N 3.48Å; D130-T134 WeakPolarHBondContact O-CB 3.33Å; D130-T134 PolarHBondContact O-N 2.78Å; D130-T134 PolarHBondContact O-OG1 2.86Å
131	S	95.9	Very high	96.4	Very high	27 Å²	27	33.1 Å²	33.1	19%	0.189	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-45.8	174.1	-59.3	0	0	0	0	110.6	P128 S129 T134 I135	P128-S131 VanDerWaalsContact O-CB 3.31Å; P128-S131 WeakPolarHBondContact O-CB 3.42Å; P128-S131 PolarHBondContact O-N 2.93Å; S129-S131 PolarHBondContact O-N 3.2Å; S131-T134 PolarHBondContact O-N 3.35Å; S131-I135 WeakPolarHBondContact O-CB 3.44Å; S131-I135 WeakPolarHBondContact O-CD1 3.49Å; S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.17Å; S131-I135 PolarHBondContact O-N 2.89Å
132	Y	97.4	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-44.3	176.1	-61.5	-63.2	0	0	0	111.9	L124 V125 T126 S127 S129 T134 I135 L136 G156 P157 T185 Y186	L124-Y132 HydrophobicContact CB-CD1 4.35Å; L124-Y132 HydrophobicContact CB-CE1 3.93Å; L124-Y132 HydrophobicContact CD1-CD1 4.1Å; V125-Y132 PolarHBondContact O-OH 3.2Å; T126-Y132 WeakPolarHBondContact CA-OH 3.25Å; S127-Y132 PolarHBondContact N-OH 3.42Å; S127-Y132 VanDerWaalsContact O-CE2 3.25Å; S127-Y132 WeakPolarHBondContact O-CE2 3.32Å; S129-Y132 PolarHBondContact O-N 3.34Å; S129-Y132 VanDerWaalsContact O-N 3.1Å; Y132-T134 PolarHBondContact O-N 3.37Å; Y132-I135 PolarHBondContact O-N 2.7Å; Y132-L136 WeakPolarHBondContact O-CB 3.34Å; Y132-L136 VanDerWaalsContact O-CG 3.26Å; Y132-L136 WeakPolarHBondContact O-CG 3.47Å; Y132-L136 PolarHBondContact O-N 3.24Å; Y132-G156 PolarHBondContact OH-O 3.02Å; Y132-P157 HydrophobicContact CE2-CG 4.27Å; Y132-T185 HydrophobicContact CD2-CG2 4.2Å; Y132-T185 WeakPolarHBondContact CD2-O 3.44Å; Y132-T185 HydrophobicContact CE2-CG2 4.17Å; Y132-Y186 AromaticContact CD1-CD1 3.95Å; Y132-Y186 HydrophobicContact CD1-CD1 3.95Å; Y132-Y186 HydrophobicContact CD1-CE1 4.22Å; Y132-Y186 AromaticContact CD2-CD1 3.75Å; Y132-Y186 HydrophobicContact CD2-CD1 3.75Å; Y132-Y186 HydrophobicContact CD2-CE1 4.1Å; Y132-Y186 HydrophobicContact CE1-CD1 4.25Å; Y132-Y186 HydrophobicContact CE1-CE1 4.05Å; Y132-Y186 HydrophobicContact CE2-CD1 4.07Å; Y132-Y186 AromaticContact CE2-CE1 3.92Å; Y132-Y186 HydrophobicContact CE2-CE1 3.92Å; Y132-Y186 AromaticContact CG-CD1 3.69Å; Y132-Y186 HydrophobicContact CG-CD1 3.69Å; Y132-Y186 HydrophobicContact CG-CE1 4.25Å; Y132-Y186 AromaticContact CZ-CE1 3.88Å
133	H	96.5	Very high	96	Very high	75 Å²	75	41.5 Å²	41.5	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-57.9	-33	176.9	-64.5	169.4	0	0	0	112.4	S129 P137 E184 Y186 G187	S129-H133 PolarHBondContact O-CD2 3.41Å; S129-H133 VanDerWaalsContact O-CG 3.3Å; S129-H133 PolarHBondContact O-N 2.9Å; H133-P137 VanDerWaalsContact O-CD 3.29Å; H133-P137 WeakPolarHBondContact O-CD 3.49Å; H133-P137 WeakPolarHBondContact O-CG 3.12Å; H133-E184 PolarHBondContact CE1-O 3.2Å; H133-E184 PolarHBondContact NE2-O 2.78Å; H133-Y186 PolarHBondContact CD2-O 2.77Å; H133-G187 PolarHBondContact CD2-N 2.75Å; H133-G187 VanDerWaalsContact CD2-N 3.3Å; H133-G187 PolarHBondContact NE2-N 2.95Å; H133-G187 VanDerWaalsContact NE2-N 3.15Å
134	T	95.2	Very high	95.8	Very high	58 Å²	58	46.4 Å²	46.4	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-79.3	-49.8	177.4	-58.9	0	0	0	0	111.6	D130 S131 Y132 R138	D130-T134 WeakPolarHBondContact O-CB 3.33Å; D130-T134 PolarHBondContact O-N 2.78Å; D130-T134 PolarHBondContact O-OG1 2.86Å; S131-T134 PolarHBondContact O-N 3.35Å; Y132-T134 PolarHBondContact O-N 3.37Å; T134-R138 WeakPolarHBondContact O-CD 3.25Å; T134-R138 WeakPolarHBondContact O-CG 3.44Å
135	I	96.8	Very high	95.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-73.2	-52.6	-170.2	-67.7	159.5	0	0	0	112	T98 I101 L124 S131 Y132 P137 R138 I139	T98-I135 HydrophobicContact CG2-CD1 3.67Å; T98-I135 HydrophobicContact CG2-CG1 3.97Å; I101-I135 HydrophobicContact CD1-CG2 4.32Å; I101-I135 HydrophobicContact CG1-CG1 4.41Å; I101-I135 HydrophobicContact CG1-CG2 3.83Å; L124-I135 HydrophobicContact CD1-CB 4.15Å; L124-I135 HydrophobicContact CD1-CD1 4.44Å; L124-I135 HydrophobicContact CD1-CG2 3.55Å; L124-I135 HydrophobicContact CD2-CD1 4.28Å; L124-I135 HydrophobicContact CD2-CG2 3.87Å; L124-I135 HydrophobicContact CG-CG2 4.35Å; S131-I135 WeakPolarHBondContact O-CB 3.44Å; S131-I135 WeakPolarHBondContact O-CD1 3.49Å; S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.17Å; S131-I135 PolarHBondContact O-N 2.89Å; Y132-I135 PolarHBondContact O-N 2.7Å; I135-P137 VanDerWaalsContact C-CD 3.5Å; I135-R138 PolarHBondContact O-N 2.74Å; I135-I139 HydrophobicContact CG2-CD1 3.79Å; I135-I139 HydrophobicContact CG2-CG1 4.05Å; I135-I139 PolarHBondContact O-N 3.11Å
136	L	97.1	Very high	95.7	Very high	5 Å²	5	53 Å²	53	3%	0.026	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-45.3	-169.5	-65	177.1	0	0	0	114.2	L124 Y132 R138 I152 Y186 I192	L124-L136 HydrophobicContact CD1-CD2 3.65Å; L124-L136 HydrophobicContact CD1-CG 4.39Å; Y132-L136 WeakPolarHBondContact O-CB 3.34Å; Y132-L136 VanDerWaalsContact O-CG 3.26Å; Y132-L136 WeakPolarHBondContact O-CG 3.47Å; Y132-L136 PolarHBondContact O-N 3.24Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.39Å; L136-I152 HydrophobicContact CB-CD1 4.31Å; L136-I152 HydrophobicContact CD2-CB 4.16Å; L136-I152 HydrophobicContact CD2-CD1 3.35Å; L136-I152 HydrophobicContact CD2-CG1 4.3Å; L136-I152 HydrophobicContact CD2-CG2 3.73Å; L136-I152 HydrophobicContact CG-CD1 4.4Å; L136-Y186 VanDerWaalsContact CD1-O 3.22Å; L136-Y186 WeakPolarHBondContact CD1-O 3.34Å; L136-I192 HydrophobicContact CD1-CD1 4.02Å; L136-I192 HydrophobicContact CD1-CG1 4.25Å; L136-I192 HydrophobicContact CD2-CG1 4.18Å
137	P	95.8	Very high	95.8	Very high	91 Å²	91	53 Å²	53	59%	0.591	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.3	179.2	29	-35.4	0	0	0	114.1	H133 I135	H133-P137 VanDerWaalsContact O-CD 3.29Å; H133-P137 WeakPolarHBondContact O-CD 3.49Å; H133-P137 WeakPolarHBondContact O-CG 3.12Å; I135-P137 VanDerWaalsContact C-CD 3.5Å
138	R	97	Very high	95.9	Very high	74 Å²	74	53.9 Å²	53.9	28%	0.279	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-22.5	-175.8	-70.4	173.3	68.2	-162.4	-5.1	112.9	T98 E99 I101 E102 T134 I135 L136 P140	T98-R138 PolarHBondContact O-NH1 3Å; E99-R138 PolarHBondContact O-NH2 3.36Å; I101-R138 HydrophobicContact CG2-CB 3.78Å; E102-R138 VanDerWaalsContact CD-NE 3.33Å; E102-R138 HydrophobicContact CG-CB 4.09Å; E102-R138 WeakPolarHBondContact CG-O 3.37Å; E102-R138 IonicContact OE1-CZ 3.75Å; E102-R138 IonicContact OE1-NE 3.65Å; E102-R138 PolarHBondContact OE1-NE 2.89Å; E102-R138 IonicContact OE1-NH2 3.05Å; E102-R138 PolarHBondContact OE1-NH2 2.84Å; E102-R138 IonicContact OE2-CZ 3.71Å; E102-R138 IonicContact OE2-NE 3.25Å; E102-R138 PolarHBondContact OE2-NE 3.05Å; E102-R138 IonicContact OE2-NH2 3.96Å; E102-R138 PolarHBondContact OE2-NH2 3.31Å; T134-R138 WeakPolarHBondContact O-CD 3.25Å; T134-R138 WeakPolarHBondContact O-CG 3.44Å; I135-R138 PolarHBondContact O-N 2.74Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.39Å; R138-P140 VanDerWaalsContact O-N 3.15Å
139	I	96.1	Very high	96	Very high	8 Å²	8	52 Å²	52	4%	0.041	29%	0.292	C	S	.	.	S	Bend	trans	-53.9	122.3	177.5	-60.1	-63.1	0	0	0	110.1	I101 V105 P122 I135 I149 I152	I101-I139 HydrophobicContact CD1-CD1 4.22Å; I101-I139 HydrophobicContact CG1-CD1 3.73Å; V105-I139 HydrophobicContact CG1-CG2 4.48Å; V105-I139 HydrophobicContact CG2-CD1 3.55Å; P122-I139 HydrophobicContact CG-CG2 4.44Å; I135-I139 HydrophobicContact CG2-CD1 3.79Å; I135-I139 HydrophobicContact CG2-CG1 4.05Å; I135-I139 PolarHBondContact O-N 3.11Å; I139-I149 HydrophobicContact CG2-CD1 4.17Å; I139-I149 HydrophobicContact CG2-CG2 4.04Å; I139-I152 HydrophobicContact CB-CD1 4.04Å; I139-I152 HydrophobicContact CG1-CD1 3.57Å; I139-I152 HydrophobicContact CG1-CG1 4.16Å; I139-I152 HydrophobicContact CG2-CD1 4.44Å; I139-I152 HydrophobicContact CG2-CG1 4.46Å
140	P	95.1	Very high	96	Very high	32 Å²	32	52.3 Å²	52.3	21%	0.208	29%	0.291	C	S	.	.			trans	-63.9	146.1	-177.2	25.6	-33.6	0	0	0	110.7	V105 R138 V143 I149	V105-P140 HydrophobicContact CB-CG 4.43Å; V105-P140 HydrophobicContact CG1-CG 4.07Å; R138-P140 VanDerWaalsContact O-N 3.15Å; P140-V143 HydrophobicContact CG-CG2 4.04Å; P140-I149 HydrophobicContact CG-CD1 3.93Å; P140-I149 WeakPolarHBondContact O-CD1 3.33Å
141	A	89.8	Confident	96.1	Very high	67 Å²	67	47.2 Å²	47.2	55%	0.554	27%	0.267	S	S	*	.	S	Bend	trans	-72.4	-34.5	175.3	0	0	0	0	0	112
142	E	92.9	Very high	96.3	Very high	163 Å²	163	46 Å²	46	76%	0.762	26%	0.259	S	S	*	.			trans	-140.9	146.9	-178.1	-65.8	-177	178	0	0	110.2
143	V	96.6	Very high	96.3	Very high	12 Å²	12	46.2 Å²	46.2	7%	0.073	26%	0.26	C	S	.	.			trans	-122.1	114	174.8	-179.3	0	0	0	0	108.8	A106 A109 R110 P140 K145 G146 I149	A106-V143 HydrophobicContact CB-CG1 3.88Å; A106-V143 HydrophobicContact CB-CG2 4.22Å; A109-V143 HydrophobicContact CB-CB 3.9Å; A109-V143 HydrophobicContact CB-CG1 3.92Å; A109-V143 HydrophobicContact CB-CG2 3.85Å; R110-V143 HydrophobicContact CG-CG1 4.16Å; P140-V143 HydrophobicContact CG-CG2 4.04Å; V143-K145 PolarHBondContact O-N 2.93Å; V143-G146 PolarHBondContact O-N 3.43Å; V143-I149 HydrophobicContact CG2-CD1 3.98Å
144	P	94.2	Very high	96.4	Very high	104 Å²	104	42.6 Å²	42.6	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	127	176.3	-27.1	35	0	0	0	111.8	G146	P144-G146 PolarHBondContact O-N 3.11Å; P144-G146 VanDerWaalsContact O-N 3.16Å
145	K	94.2	Very high	96.6	Very high	168 Å²	168	40 Å²	40	73%	0.73	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	17.6	-176.7	-53.1	180	178.6	178.5	0	114.7	V143 V412	V143-K145 PolarHBondContact O-N 2.93Å; K145-V412 HydrophobicContact CB-CG1 4.39Å
146	G	97.9	Very high	96.6	Very high	5 Å²	5	40 Å²	40	5%	0.052	23%	0.227	C	C	.	.	S	Bend	trans	-115	166.7	174.6	0	0	0	0	0	111.6	A109 V143 P144 I407	A109-G146 CarbonylContact O-C 3.47Å; A109-G146 VanDerWaalsContact O-CA 3.28Å; A109-G146 WeakPolarHBondContact O-CA 3.39Å; V143-G146 PolarHBondContact O-N 3.43Å; P144-G146 PolarHBondContact O-N 3.11Å; P144-G146 VanDerWaalsContact O-N 3.16Å; G146-I407 WeakPolarHBondContact O-CD1 3.43Å
147	A	98.5	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.			trans	-57.4	140.9	170.7	0	0	0	0	0	111.2	A109 L112 V117 T118 F120	A109-A147 PolarHBondContact O-N 3.38Å; L112-A147 HydrophobicContact CB-CB 4.28Å; V117-A147 HydrophobicContact CG1-CB 4.27Å; T118-A147 CarbonylContact O-C 3.58Å; T118-A147 VanDerWaalsContact O-CA 3.32Å; T118-A147 WeakPolarHBondContact O-CA 3.49Å; F120-A147 HydrophobicContact CD1-CB 3.71Å; F120-A147 HydrophobicContact CE1-CB 4.02Å
148	G	97.8	Very high	96.8	Very high	24 Å²	24	35.4 Å²	35.4	25%	0.247	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	146.8	176.9	0	0	0	0	0	112.4	T118 S119 F120	T118-G148 PolarHBondContact O-N 3.41Å; S119-G148 CarbonylContact C-O 3.59Å; S119-G148 WeakPolarHBondContact CA-O 3.38Å; F120-G148 WeakPolarHBondContact CD1-O 3.47Å; F120-G148 PolarHBondContact N-O 3.3Å
149	I	98.2	Very high	96.9	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.138	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.6	-179.9	-66.1	156.9	0	0	0	108.4	V105 F120 P122 I139 P140 V143 G151	V105-I149 HydrophobicContact CG1-CD1 3.5Å; V105-I149 VanDerWaalsContact CG1-CD1 3.5Å; V105-I149 HydrophobicContact CG1-CG1 4.35Å; F120-I149 HydrophobicContact CD1-CG1 4.48Å; F120-I149 HydrophobicContact CE1-CG1 3.7Å; F120-I149 HydrophobicContact CZ-CG1 3.88Å; P122-I149 HydrophobicContact CG-CG1 4.33Å; P122-I149 HydrophobicContact CG-CG2 3.97Å; I139-I149 HydrophobicContact CG2-CD1 4.17Å; I139-I149 HydrophobicContact CG2-CG2 4.04Å; P140-I149 HydrophobicContact CG-CD1 3.93Å; P140-I149 WeakPolarHBondContact O-CD1 3.33Å; V143-I149 HydrophobicContact CG2-CD1 3.98Å; I149-G151 PolarHBondContact O-N 3.03Å
150	L	97.9	Very high	97	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.188	19%	0.187	C	C	.	.			trans	-80	-3.9	-177.7	-60.5	178.7	0	0	0	113.5	I82 F120 L376 I378 K382	I82-L150 HydrophobicContact CG2-CD1 3.57Å; F120-L150 PolarHBondContact O-N 2.86Å; L150-L376 HydrophobicContact CB-CD1 4.37Å; L150-L376 HydrophobicContact CD1-CD1 3.85Å; L150-I378 HydrophobicContact CD1-CD1 3.79Å; L150-I378 HydrophobicContact CD2-CD1 3.92Å; L150-I378 HydrophobicContact CG-CD1 4.46Å; L150-K382 HydrophobicContact CD2-CD 3.96Å
151	G	97.9	Very high	97.1	Very high	15 Å²	15	33 Å²	33	16%	0.155	19%	0.191	C	C	.	.			trans	113.1	174.4	-166.1	0	0	0	0	0	110.7	C121 I149 R191	C121-G151 VanDerWaalsContact CA-O 3.3Å; C121-G151 WeakPolarHBondContact CA-O 3.17Å; C121-G151 WeakPolarHBondContact CB-O 3.27Å; C121-G151 PolarHBondContact SG-O 3.49Å; I149-G151 PolarHBondContact O-N 3.03Å; G151-R191 WeakPolarHBondContact CA-O 3.42Å
152	I	98.5	Very high	97.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.2	-166.5	-63.1	161.1	0	0	0	110.1	L124 L136 I139 R191 K193 I194	L124-I152 HydrophobicContact CD1-CG2 3.87Å; L124-I152 HydrophobicContact CG-CG2 3.9Å; L136-I152 HydrophobicContact CB-CD1 4.31Å; L136-I152 HydrophobicContact CD2-CB 4.16Å; L136-I152 HydrophobicContact CD2-CD1 3.35Å; L136-I152 HydrophobicContact CD2-CG1 4.3Å; L136-I152 HydrophobicContact CD2-CG2 3.73Å; L136-I152 HydrophobicContact CG-CD1 4.4Å; I139-I152 HydrophobicContact CB-CD1 4.04Å; I139-I152 HydrophobicContact CG1-CD1 3.57Å; I139-I152 HydrophobicContact CG1-CG1 4.16Å; I139-I152 HydrophobicContact CG2-CD1 4.44Å; I139-I152 HydrophobicContact CG2-CG1 4.46Å; I152-R191 HydrophobicContact CD1-CB 3.87Å; I152-R191 PolarHBondContact N-O 3.38Å; I152-K193 PolarHBondContact O-N 2.83Å; I152-I194 PolarHBondContact O-N 3.35Å; I152-I194 VanDerWaalsContact O-N 3.13Å
153	H	98.8	Very high	97.5	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.1	167.2	179.4	-179.4	0	0	0	108.6	L84 C121 P122 T123 L124 E155 I194 T196	L84-H153 PolarHBondContact O-ND1 2.92Å; C121-H153 HydrophobicContact CB-CB 4Å; P122-H153 PolarHBondContact O-N 2.65Å; T123-H153 CarbonylContact C-O 3.59Å; T123-H153 VanDerWaalsContact CA-O 3.24Å; T123-H153 WeakPolarHBondContact CA-O 3Å; T123-H153 HydrophobicContact CG2-CB 4.17Å; L124-H153 PolarHBondContact N-O 3.02Å; H153-E155 PolarHBondContact O-N 3.31Å; H153-I194 CarbonylContact C-O 3.58Å; H153-I194 WeakPolarHBondContact CA-O 3.27Å; H153-I194 HydrophobicContact CB-CB 4.04Å; H153-I194 HydrophobicContact CB-CD1 4.34Å; H153-T196 PolarHBondContact NE2-OG1 3.25Å
154	A	98.7	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.1	172	0	0	0	0	0	109.6	G156 Y186 I192 I194 I195 T196	A154-G156 PolarHBondContact O-N 2.93Å; A154-Y186 HydrophobicContact CB-CE1 3.88Å; A154-Y186 HydrophobicContact CB-CE2 4.38Å; A154-I192 HydrophobicContact CB-CD1 4.39Å; A154-I192 HydrophobicContact CB-CG2 4.4Å; A154-I194 PolarHBondContact N-O 2.87Å; A154-I195 HydrophobicContact CB-CG1 4.37Å; A154-I195 CarbonylContact O-C 3.6Å; A154-I195 WeakPolarHBondContact O-CA 3.43Å; A154-T196 PolarHBondContact O-N 3.3Å
155	E	98.5	Very high	97	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	89.5	178.2	-167.2	177.7	-168.3	0	0	111	Q85 T123 L124 V125 T126 H153 H167 T196 H222 T242 H243	Q85-E155 PolarHBondContact NE2-OE1 2.81Å; Q85-E155 PolarHBondContact NE2-OE2 3.5Å; T123-E155 HydrophobicContact CG2-CB 3.81Å; L124-E155 PolarHBondContact O-N 3.5Å; V125-E155 CarbonylContact C-O 3.22Å; V125-E155 WeakPolarHBondContact CA-O 3.22Å; T126-E155 PolarHBondContact N-O 3.46Å; H153-E155 PolarHBondContact O-N 3.31Å; E155-H167 PolarHBondContact O-CE1 2.8Å; E155-H167 PolarHBondContact O-ND1 3.2Å; E155-T196 HydrophobicContact CG-CG2 4.12Å; E155-H222 IonicContact OE1-CD2 3.38Å; E155-H222 PolarHBondContact OE1-CD2 3.23Å; E155-H222 VanDerWaalsContact OE1-CD2 3.25Å; E155-H222 IonicContact OE1-NE2 2.68Å; E155-H222 PolarHBondContact OE1-NE2 3.21Å; E155-T242 WeakPolarHBondContact OE1-CG2 3.29Å; E155-H243 IonicContact OE1-CD2 3.51Å; E155-H243 IonicContact OE1-CE1 3.85Å; E155-H243 IonicContact OE1-NE2 2.72Å; E155-H243 PolarHBondContact OE1-NE2 3.17Å
156	G	97.9	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.162	C	C	.	.			trans	83.5	177.5	-166.6	0	0	0	0	0	112.9	Y132 A154 Y186 T196	Y132-G156 PolarHBondContact OH-O 3.02Å; A154-G156 PolarHBondContact O-N 2.93Å; G156-Y186 VanDerWaalsContact C-OH 3.3Å; G156-Y186 PolarHBondContact O-OH 3.19Å; G156-T196 PolarHBondContact N-O 3.14Å
157	P	98.2	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.162	C	C	.	.	S	Bend	cis	-93.9	7.4	26.2	35.4	-36.2	0	0	0	116	T126 Y132 I159 C171 I172 Q173 T185 Y186	T126-P157 HydrophobicContact CG2-CB 3.47Å; T126-P157 VanDerWaalsContact CG2-CB 3.47Å; T126-P157 WeakPolarHBondContact OG1-CA 3.33Å; Y132-P157 HydrophobicContact CE2-CG 4.27Å; P157-I159 PolarHBondContact O-N 3.09Å; P157-C171 WeakPolarHBondContact CB-O 3.26Å; P157-I172 WeakPolarHBondContact O-CA 3.25Å; P157-Q173 HydrophobicContact CG-CB 4.43Å; P157-Q173 PolarHBondContact O-N 3.5Å; P157-T185 HydrophobicContact CG-CG2 3.48Å; P157-T185 VanDerWaalsContact CG-CG2 3.48Å; P157-Y186 WeakPolarHBondContact CD-OH 3.48Å
158	F	98.4	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-82.3	55.7	-176.5	-48	-66.8	0	0	0	112.9	Q173 I175 T181 L182 T185 Y186 L197 A198	F158-Q173 HydrophobicContact CD1-CB 3.93Å; F158-Q173 HydrophobicContact CE1-CB 3.92Å; F158-I175 HydrophobicContact CB-CD1 3.83Å; F158-I175 HydrophobicContact CB-CG1 3.86Å; F158-I175 HydrophobicContact CD1-CB 4.49Å; F158-I175 HydrophobicContact CD1-CD1 4.09Å; F158-I175 HydrophobicContact CD1-CG1 3.32Å; F158-I175 HydrophobicContact CD2-CD1 3.73Å; F158-I175 HydrophobicContact CD2-CG1 3.87Å; F158-I175 HydrophobicContact CE1-CG1 3.73Å; F158-I175 HydrophobicContact CE2-CD1 4.33Å; F158-I175 HydrophobicContact CE2-CG1 4.25Å; F158-I175 HydrophobicContact CG-CD1 3.58Å; F158-I175 HydrophobicContact CG-CG1 3.36Å; F158-I175 HydrophobicContact CZ-CG1 4.17Å; F158-T181 HydrophobicContact CE1-CG2 3.84Å; F158-T181 HydrophobicContact CZ-CG2 4.31Å; F158-L182 HydrophobicContact CD2-CD1 3.77Å; F158-L182 HydrophobicContact CE2-CD1 3.14Å; F158-L182 HydrophobicContact CZ-CD1 3.67Å; F158-T185 HydrophobicContact CE2-CG2 4.38Å; F158-T185 HydrophobicContact CZ-CG2 3.85Å; F158-T185 WeakPolarHBondContact CZ-OG1 3.31Å; F158-Y186 HydrophobicContact CD2-CE2 4.47Å; F158-Y186 AromaticContact CE2-CE2 3.68Å; F158-Y186 HydrophobicContact CE2-CE2 3.68Å; F158-Y186 AromaticContact CE2-CZ 3.66Å; F158-Y186 WeakPolarHBondContact CE2-OH 3.46Å; F158-L197 HydrophobicContact CB-CB 4.1Å; F158-L197 CarbonylContact O-C 3.6Å; F158-L197 WeakPolarHBondContact O-CA 3.4Å; F158-A198 PolarHBondContact O-N 3.38Å
159	I	98.2	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-119.2	173	-173.1	59.9	166.3	0	0	0	111.7	T126 P157 H167 I172 K201 H222	T126-I159 WeakPolarHBondContact OG1-CD1 3.41Å; P157-I159 PolarHBondContact O-N 3.09Å; I159-H167 HydrophobicContact CD1-CB 3.71Å; I159-I172 HydrophobicContact CD1-CD1 4.06Å; I159-I172 HydrophobicContact CD1-CG1 4.21Å; I159-I172 HydrophobicContact CG1-CD1 3.99Å; I159-I172 HydrophobicContact CG1-CG1 3.92Å; I159-I172 HydrophobicContact CG1-CG2 4.13Å; I159-I172 WeakPolarHBondContact O-CG2 3.39Å; I159-K201 WeakPolarHBondContact O-CE 3.46Å; I159-H222 HydrophobicContact CB-CB 3.58Å; I159-H222 HydrophobicContact CD1-CB 4.03Å; I159-H222 HydrophobicContact CG1-CB 4.4Å; I159-H222 HydrophobicContact CG2-CB 3.56Å
160	N	98.1	Very high	95.5	Very high	18 Å²	18	39 Å²	39	10%	0.096	22%	0.218	C	C	.	.			trans	-90.6	126.7	179.4	-163.1	-56.5	0	0	0	111.7	Q162 K163 K164 A198 E200 H222 M224	N160-Q162 PolarHBondContact O-N 3.29Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q162 PolarHBondContact OD1-N 3.28Å; N160-K163 HydrophobicContact CB-CB 4.49Å; N160-K163 CarbonylContact O-C 3.39Å; N160-K163 WeakPolarHBondContact O-CA 3.23Å; N160-K163 PolarHBondContact O-N 2.72Å; N160-K164 PolarHBondContact O-N 2.87Å; N160-K164 VanDerWaalsContact O-N 3.08Å; N160-A198 HydrophobicContact CB-CB 4.37Å; N160-E200 WeakPolarHBondContact CB-OE1 3.11Å; N160-E200 PolarHBondContact ND2-OE1 2.73Å; N160-H222 VanDerWaalsContact CB-O 3.3Å; N160-H222 WeakPolarHBondContact CB-O 3.47Å; N160-H222 PolarHBondContact N-O 3.19Å; N160-M224 HydrophobicContact CB-CG 4.31Å; N160-M224 WeakPolarHBondContact ND2-CB 3.45Å; N160-M224 WeakPolarHBondContact ND2-CG 3.22Å
161	P	97.1	Very high	95.5	Very high	45 Å²	45	37.8 Å²	37.8	29%	0.292	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-54.3	-34.8	176.9	-27.9	35.7	0	0	0	114.6	K163 K164 E169 I172	P161-K163 PolarHBondContact O-N 3.42Å; P161-K164 WeakPolarHBondContact O-CB 3.29Å; P161-K164 WeakPolarHBondContact O-CG 3.32Å; P161-K164 PolarHBondContact O-N 2.98Å; P161-E169 HydrophobicContact CB-CG 4.28Å; P161-I172 HydrophobicContact CB-CD1 4.36Å; P161-I172 HydrophobicContact CG-CD1 4.31Å; P161-I172 HydrophobicContact CG-CG2 4.02Å
162	Q	96.7	Very high	95.5	Very high	144 Å²	144	38.3 Å²	38.3	67%	0.673	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-69.7	-15.1	178.4	-61	-175.3	-66.3	0	0	113.1	N160 M224	N160-Q162 PolarHBondContact O-N 3.29Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q162 PolarHBondContact OD1-N 3.28Å; Q162-M224 HydrophobicContact CB-CG 3.95Å; Q162-M224 HydrophobicContact CB-SD 4.05Å
163	K	95.5	Very high	95.4	Very high	48 Å²	48	41 Å²	41	21%	0.209	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-124.7	28.8	177.6	-64.5	-66	179.3	173.7	0	111.3	N160 P161 G165 H222 M224 A247 M248	N160-K163 HydrophobicContact CB-CB 4.49Å; N160-K163 CarbonylContact O-C 3.39Å; N160-K163 WeakPolarHBondContact O-CA 3.23Å; N160-K163 PolarHBondContact O-N 2.72Å; P161-K163 PolarHBondContact O-N 3.42Å; K163-G165 PolarHBondContact O-N 2.78Å; K163-H222 PolarHBondContact O-ND1 3.31Å; K163-M224 HydrophobicContact CD-SD 4.1Å; K163-M224 WeakPolarHBondContact CE-SD 3.49Å; K163-M224 HydrophobicContact CG-CG 3.93Å; K163-M224 HydrophobicContact CG-SD 3.66Å; K163-A247 WeakPolarHBondContact CB-O 3.25Å; K163-M248 VanDerWaalsContact CE-O 3.31Å; K163-M248 WeakPolarHBondContact CE-O 3.41Å; K163-M248 PolarHBondContact NZ-O 3.08Å
164	K	93.3	Very high	95.3	Very high	65 Å²	65	43.4 Å²	43.4	28%	0.283	24%	0.238	S	C	.	.			trans	-62.9	-26.5	-179.2	69.8	-178.5	-163.7	68.4	0	113.9	N160 P161 A166 H167 E169 I172	N160-K164 PolarHBondContact O-N 2.87Å; N160-K164 VanDerWaalsContact O-N 3.08Å; P161-K164 WeakPolarHBondContact O-CB 3.29Å; P161-K164 WeakPolarHBondContact O-CG 3.32Å; P161-K164 PolarHBondContact O-N 2.98Å; K164-A166 PolarHBondContact O-N 3.45Å; K164-H167 HydrophobicContact CB-CB 4.38Å; K164-H167 PolarHBondContact NZ-O 3.45Å; K164-H167 WeakPolarHBondContact O-CB 3.31Å; K164-H167 PolarHBondContact O-CD2 3.15Å; K164-H167 PolarHBondContact O-N 2.8Å; K164-E169 HydrophobicContact CD-CB 3.77Å; K164-E169 HydrophobicContact CD-CG 4.06Å; K164-E169 WeakPolarHBondContact CE-OE2 3.29Å; K164-I172 HydrophobicContact CB-CD1 3.67Å
165	G	86.2	Confident	95.2	Very high	51 Å²	51	43.4 Å²	43.4	53%	0.526	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-124.7	-170.5	0	0	0	0	0	111.2	K163 H167	K163-G165 PolarHBondContact O-N 2.78Å; G165-H167 VanDerWaalsContact C-N 3.3Å; G165-H167 PolarHBondContact O-N 3.24Å
166	A	83.4	Confident	95	Very high	62 Å²	62	47.4 Å²	47.4	51%	0.512	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.9	177.2	0	0	0	0	0	114.4	K164	K164-A166 PolarHBondContact O-N 3.45Å
167	H	91.4	Very high	94.9	Very high	8 Å²	8	53 Å²	53	4%	0.037	28%	0.284	C	S	.	.	S	Bend	trans	-70.8	141.3	-175.4	-65.6	-122.9	0	0	0	111.4	T126 E155 I159 K164 G165 E169 H222	T126-H167 VanDerWaalsContact CB-ND1 3.34Å; T126-H167 WeakPolarHBondContact CB-ND1 3.46Å; T126-H167 PolarHBondContact N-ND1 3.06Å; T126-H167 PolarHBondContact OG1-ND1 3.21Å; E155-H167 PolarHBondContact O-CE1 2.8Å; E155-H167 PolarHBondContact O-ND1 3.2Å; I159-H167 HydrophobicContact CD1-CB 3.71Å; K164-H167 HydrophobicContact CB-CB 4.38Å; K164-H167 PolarHBondContact NZ-O 3.45Å; K164-H167 WeakPolarHBondContact O-CB 3.31Å; K164-H167 PolarHBondContact O-CD2 3.15Å; K164-H167 PolarHBondContact O-N 2.8Å; G165-H167 VanDerWaalsContact C-N 3.3Å; G165-H167 PolarHBondContact O-N 3.24Å; H167-E169 PolarHBondContact O-N 3.01Å; H167-H222 AromaticContact CD2-CE1 3.46Å; H167-H222 PolarHBondContact CD2-CE1 3.03Å; H167-H222 VanDerWaalsContact CD2-CE1 3.46Å; H167-H222 AromaticContact CD2-ND1 3.92Å; H167-H222 AromaticContact NE2-CE1 3.31Å; H167-H222 PolarHBondContact NE2-CE1 3.21Å; H167-H222 VanDerWaalsContact NE2-CE1 3.31Å; H167-H222 AromaticContact NE2-ND1 3.99Å; H167-H222 AromaticContact NE2-NE2 3.5Å; H167-H222 PolarHBondContact NE2-NE2 3.42Å
168	P	90.6	Very high	94.7	Very high	42 Å²	42	53 Å²	53	27%	0.273	28%	0.284	S	S	.	.			trans	-68.3	113.4	176.7	26.1	-33.4	0	0	0	110.7	T126 H170 C171	T126-P168 HydrophobicContact CG2-CG 4.26Å; T126-P168 WeakPolarHBondContact O-CD 3.32Å; T126-P168 WeakPolarHBondContact O-CG 3.13Å; P168-H170 VanDerWaalsContact C-N 3.26Å; P168-H170 PolarHBondContact O-N 2.85Å; P168-C171 HydrophobicContact CG-CB 4.11Å; P168-C171 PolarHBondContact O-N 3.13Å
169	E	94.3	Very high	94.6	Very high	113 Å²	113	54 Å²	54	53%	0.528	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-58.4	-37.2	-172.6	-168.2	170	164.2	0	0	113.3	P161 K164 H167 C171 I172	P161-E169 HydrophobicContact CB-CG 4.28Å; K164-E169 HydrophobicContact CD-CB 3.77Å; K164-E169 HydrophobicContact CD-CG 4.06Å; K164-E169 WeakPolarHBondContact CE-OE2 3.29Å; H167-E169 PolarHBondContact O-N 3.01Å; E169-C171 PolarHBondContact O-N 3.38Å; E169-I172 WeakPolarHBondContact O-CB 3.46Å; E169-I172 PolarHBondContact O-N 2.92Å; E169-I172 VanDerWaalsContact O-N 3.14Å
170	H	95.9	Very high	94.5	Very high	164 Å²	164	56.2 Å²	56.2	76%	0.759	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.6	-178.7	66.1	-86.6	0	0	0	114	P168	P168-H170 VanDerWaalsContact C-N 3.26Å; P168-H170 PolarHBondContact O-N 2.85Å
171	C	97	Very high	94.5	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.074	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-94	-9.9	175.4	-63	0	0	0	0	112.9	T126 P157 P168 E169 Q173	T126-C171 HydrophobicContact CG2-CB 3.49Å; T126-C171 VanDerWaalsContact CG2-CB 3.49Å; P157-C171 WeakPolarHBondContact CB-O 3.26Å; P168-C171 HydrophobicContact CG-CB 4.11Å; P168-C171 PolarHBondContact O-N 3.13Å; E169-C171 PolarHBondContact O-N 3.38Å; C171-Q173 PolarHBondContact O-NE2 2.81Å
172	I	97.9	Very high	94.5	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.128	29%	0.288	C	S	.	.			trans	-67.9	132.9	-176.1	-65	177.5	0	0	0	110.5	T126 P157 I159 P161 K164 E169	T126-I172 HydrophobicContact CG2-CG1 3.99Å; P157-I172 WeakPolarHBondContact O-CA 3.25Å; I159-I172 HydrophobicContact CD1-CD1 4.06Å; I159-I172 HydrophobicContact CD1-CG1 4.21Å; I159-I172 HydrophobicContact CG1-CD1 3.99Å; I159-I172 HydrophobicContact CG1-CG1 3.92Å; I159-I172 HydrophobicContact CG1-CG2 4.13Å; I159-I172 WeakPolarHBondContact O-CG2 3.39Å; P161-I172 HydrophobicContact CB-CD1 4.36Å; P161-I172 HydrophobicContact CG-CD1 4.31Å; P161-I172 HydrophobicContact CG-CG2 4.02Å; K164-I172 HydrophobicContact CB-CD1 3.67Å; E169-I172 WeakPolarHBondContact O-CB 3.46Å; E169-I172 PolarHBondContact O-N 2.92Å; E169-I172 VanDerWaalsContact O-N 3.14Å
173	Q	96.8	Very high	94.6	Very high	60 Å²	60	52.1 Å²	52.1	28%	0.28	28%	0.28	S	S	.	.			trans	-127	174.4	-173.2	-72.6	171.3	67.5	0	0	111.9	P157 F158 C171 T185	P157-Q173 HydrophobicContact CG-CB 4.43Å; P157-Q173 PolarHBondContact O-N 3.5Å; F158-Q173 HydrophobicContact CD1-CB 3.93Å; F158-Q173 HydrophobicContact CE1-CB 3.92Å; C171-Q173 PolarHBondContact O-NE2 2.81Å; Q173-T185 PolarHBondContact OE1-OG1 3.26Å
174	T	97.1	Very high	94.7	Very high	52 Å²	52	55.1 Å²	55.1	32%	0.319	30%	0.295	S	S	.	.			trans	-123.3	144.6	173.5	-52.1	0	0	0	0	107.4	D176 K201 T203	T174-D176 PolarHBondContact O-N 3.04Å; T174-K201 WeakPolarHBondContact CG2-O 3.49Å; T174-K201 PolarHBondContact OG1-NZ 3.5Å; T174-T203 HydrophobicContact CG2-CG2 4.08Å
175	I	97.3	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-85.5	94.7	174	-60.9	168.2	0	0	0	108	F158 L182 L197 K201 V202 T203 V207	F158-I175 HydrophobicContact CB-CD1 3.83Å; F158-I175 HydrophobicContact CB-CG1 3.86Å; F158-I175 HydrophobicContact CD1-CB 4.49Å; F158-I175 HydrophobicContact CD1-CD1 4.09Å; F158-I175 HydrophobicContact CD1-CG1 3.32Å; F158-I175 HydrophobicContact CD2-CD1 3.73Å; F158-I175 HydrophobicContact CD2-CG1 3.87Å; F158-I175 HydrophobicContact CE1-CG1 3.73Å; F158-I175 HydrophobicContact CE2-CD1 4.33Å; F158-I175 HydrophobicContact CE2-CG1 4.25Å; F158-I175 HydrophobicContact CG-CD1 3.58Å; F158-I175 HydrophobicContact CG-CG1 3.36Å; F158-I175 HydrophobicContact CZ-CG1 4.17Å; I175-L182 HydrophobicContact CD1-CD1 3.9Å; I175-L182 HydrophobicContact CD1-CD2 3.93Å; I175-L182 HydrophobicContact CG1-CD1 4.31Å; I175-L182 HydrophobicContact CG1-CD2 4.06Å; I175-L182 HydrophobicContact CG2-CD2 3.62Å; I175-L197 HydrophobicContact CD1-CD2 4.01Å; I175-K201 PolarHBondContact N-O 2.94Å; I175-V202 HydrophobicContact CD1-CG2 4.08Å; I175-T203 PolarHBondContact O-N 2.88Å; I175-T203 VanDerWaalsContact O-N 3.09Å; I175-T203 PolarHBondContact O-OG1 2.88Å; I175-V207 HydrophobicContact CG2-CB 4.48Å; I175-V207 HydrophobicContact CG2-CG1 4.11Å; I175-V207 HydrophobicContact CG2-CG2 4.17Å
176	D	93.8	Very high	95.5	Very high	88 Å²	88	49.7 Å²	49.7	47%	0.471	26%	0.257	S	S	.	.			trans	-96.5	-31.4	-173.7	66.7	-32	0	0	0	114.1	T174 T181 T203	T174-D176 PolarHBondContact O-N 3.04Å; D176-T181 PolarHBondContact OD1-OG1 3.03Å; D176-T203 WeakPolarHBondContact CA-OG1 3.24Å
177	K	95	Very high	96.1	Very high	118 Å²	118	47.9 Å²	47.9	51%	0.513	24%	0.244	S	C	.	.	S	Bend	trans	-119.4	28	-176.6	-56.4	167.9	-164.2	162.8	0	112.5	L179 S180 T181	K177-L179 PolarHBondContact O-N 3.45Å; K177-S180 WeakPolarHBondContact CB-OG 3.44Å; K177-S180 PolarHBondContact O-N 3Å; K177-S180 PolarHBondContact O-OG 3.1Å; K177-S180 VanDerWaalsContact O-OG 3.05Å; K177-T181 WeakPolarHBondContact CB-OG1 3.31Å; K177-T181 PolarHBondContact N-OG1 2.99Å
178	G	95	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-136.6	-179.6	0	0	0	0	0	112.3	S180 T181 L182 D204	G178-S180 PolarHBondContact O-N 3.29Å; G178-S180 VanDerWaalsContact O-N 3.1Å; G178-T181 PolarHBondContact O-N 3.18Å; G178-T181 VanDerWaalsContact O-N 3.1Å; G178-L182 WeakPolarHBondContact O-CD2 3.27Å; G178-L182 PolarHBondContact O-N 2.97Å; G178-D204 WeakPolarHBondContact CA-OD2 3.4Å
179	L	96.3	Very high	96.7	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-22.6	-177.3	-77.9	179.9	0	0	0	115.2	K177 L182 K183 L189 V207 Q210 L211	K177-L179 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 3.17Å; L179-K183 WeakPolarHBondContact O-CG 3.34Å; L179-K183 PolarHBondContact O-N 3.38Å; L179-L189 HydrophobicContact CD2-CD1 4.14Å; L179-V207 HydrophobicContact CD2-CG2 4.33Å; L179-V207 HydrophobicContact CG-CG2 4.4Å; L179-Q210 HydrophobicContact CD1-CB 3.92Å; L179-Q210 VanDerWaalsContact CD1-OE1 3.25Å; L179-Q210 HydrophobicContact CG-CB 4.2Å; L179-Q210 VanDerWaalsContact CG-OE1 3.24Å; L179-L211 HydrophobicContact CD2-CD2 3.87Å; L179-L211 HydrophobicContact CD2-CG 4.34Å
180	S	96.7	Very high	96.7	Very high	47 Å²	47	52.7 Å²	52.7	33%	0.329	27%	0.271	S	S	.	.	H	α-helix	trans	-68.3	-41.2	176.6	71.9	0	0	0	0	110.8	K177 G178 L182 K183 E184	K177-S180 WeakPolarHBondContact CB-OG 3.44Å; K177-S180 PolarHBondContact O-N 3Å; K177-S180 PolarHBondContact O-OG 3.1Å; K177-S180 VanDerWaalsContact O-OG 3.05Å; G178-S180 PolarHBondContact O-N 3.29Å; G178-S180 VanDerWaalsContact O-N 3.1Å; S180-L182 VanDerWaalsContact C-N 3.31Å; S180-L182 PolarHBondContact O-N 3.34Å; S180-K183 PolarHBondContact O-N 3.17Å; S180-E184 WeakPolarHBondContact O-CB 3.48Å; S180-E184 WeakPolarHBondContact O-CG 3.2Å; S180-E184 PolarHBondContact O-N 3.21Å
181	T	97.6	Very high	96.7	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-45	174	-48.5	0	0	0	0	110.5	F158 D176 K177 G178 K183 E184 T185	F158-T181 HydrophobicContact CE1-CG2 3.84Å; F158-T181 HydrophobicContact CZ-CG2 4.31Å; D176-T181 PolarHBondContact OD1-OG1 3.03Å; K177-T181 WeakPolarHBondContact CB-OG1 3.31Å; K177-T181 PolarHBondContact N-OG1 2.99Å; G178-T181 PolarHBondContact O-N 3.18Å; G178-T181 VanDerWaalsContact O-N 3.1Å; T181-K183 VanDerWaalsContact C-N 3.32Å; T181-K183 PolarHBondContact O-N 2.82Å; T181-E184 PolarHBondContact O-N 3.44Å; T181-T185 WeakPolarHBondContact O-CB 3.43Å; T181-T185 PolarHBondContact O-N 3Å; T181-T185 PolarHBondContact O-OG1 3.27Å
182	L	97.9	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-41.6	178.2	-74	-50.9	0	0	0	112.3	F158 I175 G178 L179 S180 T185 Y186 L189 V207	F158-L182 HydrophobicContact CD2-CD1 3.77Å; F158-L182 HydrophobicContact CE2-CD1 3.14Å; F158-L182 HydrophobicContact CZ-CD1 3.67Å; I175-L182 HydrophobicContact CD1-CD1 3.9Å; I175-L182 HydrophobicContact CD1-CD2 3.93Å; I175-L182 HydrophobicContact CG1-CD1 4.31Å; I175-L182 HydrophobicContact CG1-CD2 4.06Å; I175-L182 HydrophobicContact CG2-CD2 3.62Å; G178-L182 WeakPolarHBondContact O-CD2 3.27Å; G178-L182 PolarHBondContact O-N 2.97Å; L179-L182 PolarHBondContact O-N 3.17Å; S180-L182 VanDerWaalsContact C-N 3.31Å; S180-L182 PolarHBondContact O-N 3.34Å; L182-T185 PolarHBondContact O-N 2.98Å; L182-Y186 HydrophobicContact CD1-CD2 4.32Å; L182-Y186 HydrophobicContact CD1-CE2 3.85Å; L182-Y186 WeakPolarHBondContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CD2 3.36Å; L182-Y186 PolarHBondContact O-N 3.35Å; L182-L189 HydrophobicContact CB-CD1 4.26Å; L182-L189 HydrophobicContact CB-CD2 4.33Å; L182-V207 HydrophobicContact CD2-CG2 3.6Å
183	K	97.5	Very high	96.8	Very high	116 Å²	116	51.5 Å²	51.5	50%	0.504	26%	0.258	S	S	.	.	H	α-helix	trans	-73	-33.7	178.2	-71.2	174.2	-179.9	-179.3	0	112.9	L179 S180 T181 T185 G187	L179-K183 WeakPolarHBondContact O-CG 3.34Å; L179-K183 PolarHBondContact O-N 3.38Å; S180-K183 PolarHBondContact O-N 3.17Å; T181-K183 VanDerWaalsContact C-N 3.32Å; T181-K183 PolarHBondContact O-N 2.82Å; K183-T185 VanDerWaalsContact C-N 3.29Å; K183-G187 WeakPolarHBondContact O-CA 3.35Å; K183-G187 PolarHBondContact O-N 2.87Å
184	E	97.9	Very high	96.9	Very high	111 Å²	111	48.6 Å²	48.6	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-32.4	173.7	-74	168.9	-161.7	0	0	111.5	H133 S180 T181	H133-E184 PolarHBondContact CE1-O 3.2Å; H133-E184 PolarHBondContact NE2-O 2.78Å; S180-E184 WeakPolarHBondContact O-CB 3.48Å; S180-E184 WeakPolarHBondContact O-CG 3.2Å; S180-E184 PolarHBondContact O-N 3.21Å; T181-E184 PolarHBondContact O-N 3.44Å
185	T	98.1	Very high	97	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-83.9	-47.8	-179.8	-56.7	0	0	0	0	113.3	S129 Y132 P157 F158 Q173 T181 L182 K183	S129-T185 WeakPolarHBondContact CA-O 3.41Å; S129-T185 WeakPolarHBondContact CB-O 3.37Å; Y132-T185 HydrophobicContact CD2-CG2 4.2Å; Y132-T185 WeakPolarHBondContact CD2-O 3.44Å; Y132-T185 HydrophobicContact CE2-CG2 4.17Å; P157-T185 HydrophobicContact CG-CG2 3.48Å; P157-T185 VanDerWaalsContact CG-CG2 3.48Å; F158-T185 HydrophobicContact CE2-CG2 4.38Å; F158-T185 HydrophobicContact CZ-CG2 3.85Å; F158-T185 WeakPolarHBondContact CZ-OG1 3.31Å; Q173-T185 PolarHBondContact OE1-OG1 3.26Å; T181-T185 WeakPolarHBondContact O-CB 3.43Å; T181-T185 PolarHBondContact O-N 3Å; T181-T185 PolarHBondContact O-OG1 3.27Å; L182-T185 PolarHBondContact O-N 2.98Å; K183-T185 VanDerWaalsContact C-N 3.29Å
186	Y	98.1	Very high	97.1	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-102	-15.5	-174.8	-58.7	-48.8	0	0	0	113.6	Y132 H133 L136 A154 G156 P157 F158 L182 S188 L189 I192 I195	Y132-Y186 AromaticContact CD1-CD1 3.95Å; Y132-Y186 HydrophobicContact CD1-CD1 3.95Å; Y132-Y186 HydrophobicContact CD1-CE1 4.22Å; Y132-Y186 AromaticContact CD2-CD1 3.75Å; Y132-Y186 HydrophobicContact CD2-CD1 3.75Å; Y132-Y186 HydrophobicContact CD2-CE1 4.1Å; Y132-Y186 HydrophobicContact CE1-CD1 4.25Å; Y132-Y186 HydrophobicContact CE1-CE1 4.05Å; Y132-Y186 HydrophobicContact CE2-CD1 4.07Å; Y132-Y186 AromaticContact CE2-CE1 3.92Å; Y132-Y186 HydrophobicContact CE2-CE1 3.92Å; Y132-Y186 AromaticContact CG-CD1 3.69Å; Y132-Y186 HydrophobicContact CG-CD1 3.69Å; Y132-Y186 HydrophobicContact CG-CE1 4.25Å; Y132-Y186 AromaticContact CZ-CE1 3.88Å; H133-Y186 PolarHBondContact CD2-O 2.77Å; L136-Y186 VanDerWaalsContact CD1-O 3.22Å; L136-Y186 WeakPolarHBondContact CD1-O 3.34Å; A154-Y186 HydrophobicContact CB-CE1 3.88Å; A154-Y186 HydrophobicContact CB-CE2 4.38Å; G156-Y186 VanDerWaalsContact C-OH 3.3Å; G156-Y186 PolarHBondContact O-OH 3.19Å; P157-Y186 WeakPolarHBondContact CD-OH 3.48Å; F158-Y186 HydrophobicContact CD2-CE2 4.47Å; F158-Y186 AromaticContact CE2-CE2 3.68Å; F158-Y186 HydrophobicContact CE2-CE2 3.68Å; F158-Y186 AromaticContact CE2-CZ 3.66Å; F158-Y186 WeakPolarHBondContact CE2-OH 3.46Å; L182-Y186 HydrophobicContact CD1-CD2 4.32Å; L182-Y186 HydrophobicContact CD1-CE2 3.85Å; L182-Y186 WeakPolarHBondContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CD2 3.36Å; L182-Y186 PolarHBondContact O-N 3.35Å; Y186-S188 PolarHBondContact O-N 3.36Å; Y186-L189 HydrophobicContact CD2-CD2 3.71Å; Y186-L189 HydrophobicContact CG-CD2 4.32Å; Y186-I192 HydrophobicContact CD1-CD1 4.4Å; Y186-I192 HydrophobicContact CD2-CD1 3.69Å; Y186-I192 HydrophobicContact CE2-CD1 4.25Å; Y186-I192 HydrophobicContact CG-CD1 3.77Å; Y186-I195 HydrophobicContact CE2-CD1 4.03Å; Y186-I195 HydrophobicContact CE2-CG1 4.45Å
187	G	97	Very high	97.3	Very high	24 Å²	24	42 Å²	42	25%	0.247	21%	0.207	C	C	.	.	S	Bend	trans	74.1	-119.7	-167.9	0	0	0	0	0	110.8	H133 K183	H133-G187 PolarHBondContact CD2-N 2.75Å; H133-G187 VanDerWaalsContact CD2-N 3.3Å; H133-G187 PolarHBondContact NE2-N 2.95Å; H133-G187 VanDerWaalsContact NE2-N 3.15Å; K183-G187 WeakPolarHBondContact O-CA 3.35Å; K183-G187 PolarHBondContact O-N 2.87Å
188	S	95.9	Very high	97.5	Very high	67 Å²	67	36.3 Å²	36.3	47%	0.469	18%	0.183	S	C	.	.			trans	-75	131.6	177.8	-176.3	0	0	0	0	111.4	Y186 E190	Y186-S188 PolarHBondContact O-N 3.36Å; S188-E190 WeakPolarHBondContact OG-CG 3.47Å; S188-E190 PolarHBondContact OG-N 2.99Å
189	L	97.1	Very high	97.6	Very high	19 Å²	19	36.7 Å²	36.7	10%	0.099	19%	0.185	C	C	.	.			trans	-88.4	-4.4	175.9	-54.2	-177.7	0	0	0	113.1	L179 L182 Y186 R191 I192 L211 I216	L179-L189 HydrophobicContact CD2-CD1 4.14Å; L182-L189 HydrophobicContact CB-CD1 4.26Å; L182-L189 HydrophobicContact CB-CD2 4.33Å; Y186-L189 HydrophobicContact CD2-CD2 3.71Å; Y186-L189 HydrophobicContact CG-CD2 4.32Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.19Å; L189-I192 HydrophobicContact CD2-CD1 3.91Å; L189-I192 PolarHBondContact O-N 3.07Å; L189-L211 HydrophobicContact CD1-CD2 4.26Å; L189-I216 HydrophobicContact CB-CD1 4.15Å
190	E	96	Very high	97.6	Very high	177 Å²	177	38.3 Å²	38.3	83%	0.827	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.3	-171.1	-70.2	179.8	172.3	0	0	114.1	S188	S188-E190 WeakPolarHBondContact OG-CG 3.47Å; S188-E190 PolarHBondContact OG-N 2.99Å
191	R	95.8	Very high	97.7	Very high	118 Å²	118	37.9 Å²	37.9	45%	0.445	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.5	-179.7	-64.6	-73.3	177.3	159.8	-0.8	113.1	G151 I152 L189	G151-R191 WeakPolarHBondContact CA-O 3.42Å; I152-R191 HydrophobicContact CD1-CB 3.87Å; I152-R191 PolarHBondContact N-O 3.38Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.19Å
192	I	98.2	Very high	97.6	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.046	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.8	-176.8	-60.9	180	0	0	0	108.9	L136 A154 Y186 L189 I194 I195 I216	L136-I192 HydrophobicContact CD1-CD1 4.02Å; L136-I192 HydrophobicContact CD1-CG1 4.25Å; L136-I192 HydrophobicContact CD2-CG1 4.18Å; A154-I192 HydrophobicContact CB-CD1 4.39Å; A154-I192 HydrophobicContact CB-CG2 4.4Å; Y186-I192 HydrophobicContact CD1-CD1 4.4Å; Y186-I192 HydrophobicContact CD2-CD1 3.69Å; Y186-I192 HydrophobicContact CE2-CD1 4.25Å; Y186-I192 HydrophobicContact CG-CD1 3.77Å; L189-I192 HydrophobicContact CD2-CD1 3.91Å; L189-I192 PolarHBondContact O-N 3.07Å; I192-I194 WeakPolarHBondContact CG2-O 3.42Å; I192-I195 HydrophobicContact CG2-CD1 4.08Å; I192-I195 HydrophobicContact CG2-CG1 3.51Å; I192-I216 HydrophobicContact CG2-CG2 4.35Å
193	K	98.4	Very high	97.4	Very high	48 Å²	48	42.6 Å²	42.6	21%	0.209	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-33.2	177.6	-171.1	62.9	175.9	172.4	0	112.1	I152 T217 L376	I152-K193 PolarHBondContact O-N 2.83Å; K193-T217 PolarHBondContact O-N 3.35Å; K193-L376 HydrophobicContact CG-CD1 4.06Å; K193-L376 HydrophobicContact CG-CD2 4.02Å; K193-L376 PolarHBondContact NZ-O 2.93Å
194	I	98.9	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.9	-179.5	-49	174.5	0	0	0	108.9	L84 C121 I152 H153 A154 I192 T217 A219 L240 L376	L84-I194 HydrophobicContact CB-CD1 4Å; L84-I194 HydrophobicContact CD1-CD1 4.46Å; L84-I194 HydrophobicContact CD2-CD1 4.41Å; C121-I194 HydrophobicContact CB-CD1 4.49Å; I152-I194 PolarHBondContact O-N 3.35Å; I152-I194 VanDerWaalsContact O-N 3.13Å; H153-I194 CarbonylContact C-O 3.58Å; H153-I194 WeakPolarHBondContact CA-O 3.27Å; H153-I194 HydrophobicContact CB-CB 4.04Å; H153-I194 HydrophobicContact CB-CD1 4.34Å; A154-I194 PolarHBondContact N-O 2.87Å; I192-I194 WeakPolarHBondContact CG2-O 3.42Å; I194-T217 CarbonylContact C-O 3.44Å; I194-T217 VanDerWaalsContact CA-O 3.28Å; I194-T217 WeakPolarHBondContact CA-O 3.19Å; I194-A219 HydrophobicContact CG2-CB 4.01Å; I194-L240 HydrophobicContact CD1-CD2 4.49Å; I194-L240 HydrophobicContact CG2-CD2 4.12Å; I194-L376 HydrophobicContact CD1-CD2 3.97Å; I194-L376 HydrophobicContact CG1-CD2 3.85Å
195	I	98.8	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.5	166.5	-65.1	174.6	0	0	0	108.3	A154 Y186 I192 L197 L211 I216 T217 A219	A154-I195 HydrophobicContact CB-CG1 4.37Å; A154-I195 CarbonylContact O-C 3.6Å; A154-I195 WeakPolarHBondContact O-CA 3.43Å; Y186-I195 HydrophobicContact CE2-CD1 4.03Å; Y186-I195 HydrophobicContact CE2-CG1 4.45Å; I192-I195 HydrophobicContact CG2-CD1 4.08Å; I192-I195 HydrophobicContact CG2-CG1 3.51Å; I195-L197 HydrophobicContact CG2-CD2 4.34Å; I195-L211 HydrophobicContact CD1-CD1 4.14Å; I195-L211 HydrophobicContact CD1-CD2 3.85Å; I195-I216 HydrophobicContact CB-CG2 4.36Å; I195-I216 HydrophobicContact CD1-CD1 4.43Å; I195-I216 HydrophobicContact CD1-CG2 3.98Å; I195-I216 HydrophobicContact CG1-CG2 3.86Å; I195-T217 PolarHBondContact N-O 2.84Å; I195-A219 PolarHBondContact O-N 3Å
196	T	98.9	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.6	164.8	-62.8	0	0	0	0	109.8	H153 A154 E155 G156 A219 T242	H153-T196 PolarHBondContact NE2-OG1 3.25Å; A154-T196 PolarHBondContact O-N 3.3Å; E155-T196 HydrophobicContact CG-CG2 4.12Å; G156-T196 PolarHBondContact N-O 3.14Å; T196-A219 WeakPolarHBondContact CA-O 3.45Å; T196-T242 HydrophobicContact CG2-CG2 4.11Å; T196-T242 VanDerWaalsContact CG2-OG1 3.25Å; T196-T242 WeakPolarHBondContact CG2-OG1 3.34Å; T196-T242 PolarHBondContact OG1-OG1 3.39Å
197	L	98.6	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.2	174.6	58.6	77.4	0	0	0	111.1	F158 I175 I195 V202 I208 V218 A219 L220 G221	F158-L197 HydrophobicContact CB-CB 4.1Å; F158-L197 CarbonylContact O-C 3.6Å; F158-L197 WeakPolarHBondContact O-CA 3.4Å; I175-L197 HydrophobicContact CD1-CD2 4.01Å; I195-L197 HydrophobicContact CG2-CD2 4.34Å; L197-V202 HydrophobicContact CD1-CG2 3.74Å; L197-V202 HydrophobicContact CD2-CG2 4.03Å; L197-V202 HydrophobicContact CG-CG2 4.42Å; L197-I208 HydrophobicContact CD1-CD1 4.33Å; L197-V218 HydrophobicContact CD1-CG1 4.31Å; L197-V218 HydrophobicContact CD2-CG1 3.94Å; L197-V218 HydrophobicContact CG-CG1 4.03Å; L197-A219 PolarHBondContact N-O 3.13Å; L197-L220 HydrophobicContact CD1-CD2 4.09Å; L197-L220 WeakPolarHBondContact O-CA 3.36Å; L197-G221 CarbonylContact C-O 3.39Å; L197-G221 PolarHBondContact O-N 3.04Å; L197-G221 VanDerWaalsContact O-N 3.07Å
198	A	98.5	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.			trans	-90.4	120.2	168.4	0	0	0	0	0	108.3	F158 N160 E200 K201	F158-A198 PolarHBondContact O-N 3.38Å; N160-A198 HydrophobicContact CB-CB 4.37Å; A198-E200 WeakPolarHBondContact CB-OE2 3.3Å; A198-E200 PolarHBondContact O-N 3.37Å; A198-K201 HydrophobicContact CB-CB 4.25Å; A198-K201 HydrophobicContact CB-CG 3.74Å; A198-K201 WeakPolarHBondContact O-CA 3.22Å; A198-K201 WeakPolarHBondContact O-CB 3.38Å; A198-K201 PolarHBondContact O-N 3.22Å
199	P	97.9	Very high	96.2	Very high	7 Å²	7	40 Å²	40	5%	0.045	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.1	-26.6	-172.5	25	-33.5	0	0	0	113.1	K201 V202 L220 A225 D229 A233 L258	P199-K201 PolarHBondContact O-N 3.19Å; P199-V202 WeakPolarHBondContact O-CB 3.45Å; P199-V202 PolarHBondContact O-N 3.13Å; P199-L220 HydrophobicContact CB-CD2 4.18Å; P199-L220 HydrophobicContact CG-CD2 4.19Å; P199-A225 HydrophobicContact CG-CB 3.65Å; P199-D229 HydrophobicContact CG-CB 4.4Å; P199-A233 HydrophobicContact CB-CB 3.81Å; P199-L258 HydrophobicContact CG-CD2 4.31Å
200	E	96.8	Very high	96.3	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.252	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-71.6	-9	172.8	77.9	-79.2	-166.3	0	0	113.9	N160 A198 S223 M224	N160-E200 WeakPolarHBondContact CB-OE1 3.11Å; N160-E200 PolarHBondContact ND2-OE1 2.73Å; A198-E200 WeakPolarHBondContact CB-OE2 3.3Å; A198-E200 PolarHBondContact O-N 3.37Å; E200-S223 VanDerWaalsContact CD-OG 3.3Å; E200-S223 PolarHBondContact OE1-OG 3.43Å; E200-S223 PolarHBondContact OE2-OG 3.21Å; E200-M224 PolarHBondContact OE1-N 3.41Å
201	K	97	Very high	96.4	Very high	39 Å²	39	33 Å²	33	17%	0.17	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-98.5	8.8	174.7	-56.7	-68.7	-77	163.2	0	112.6	I159 T174 I175 A198 P199	I159-K201 WeakPolarHBondContact O-CE 3.46Å; T174-K201 WeakPolarHBondContact CG2-O 3.49Å; T174-K201 PolarHBondContact OG1-NZ 3.5Å; I175-K201 PolarHBondContact N-O 2.94Å; A198-K201 HydrophobicContact CB-CB 4.25Å; A198-K201 HydrophobicContact CB-CG 3.74Å; A198-K201 WeakPolarHBondContact O-CA 3.22Å; A198-K201 WeakPolarHBondContact O-CB 3.38Å; A198-K201 PolarHBondContact O-N 3.22Å; P199-K201 PolarHBondContact O-N 3.19Å
202	V	96.9	Very high	96.5	Very high	13 Å²	13	29.2 Å²	29.2	8%	0.079	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-107.2	107.5	175.3	179	0	0	0	0	108.5	I175 L197 P199 D204 V207	I175-V202 HydrophobicContact CD1-CG2 4.08Å; L197-V202 HydrophobicContact CD1-CG2 3.74Å; L197-V202 HydrophobicContact CD2-CG2 4.03Å; L197-V202 HydrophobicContact CG-CG2 4.42Å; P199-V202 WeakPolarHBondContact O-CB 3.45Å; P199-V202 PolarHBondContact O-N 3.13Å; V202-D204 WeakPolarHBondContact CG1-O 3.33Å; V202-V207 HydrophobicContact CG1-CG1 3.35Å
203	T	93.6	Very high	96.4	Very high	91 Å²	91	36.2 Å²	36.2	56%	0.558	19%	0.192	S	C	*	.			trans	-90	-26.5	177.7	62.4	0	0	0	0	112.4	T174 I175 D176 P205	T174-T203 HydrophobicContact CG2-CG2 4.08Å; I175-T203 PolarHBondContact O-N 2.88Å; I175-T203 VanDerWaalsContact O-N 3.09Å; I175-T203 PolarHBondContact O-OG1 2.88Å; D176-T203 WeakPolarHBondContact CA-OG1 3.24Å; T203-P205 WeakPolarHBondContact O-CD 3.4Å
204	D	90	Very high	96.4	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.203	21%	0.205	C	C	.	.			trans	-83.3	111.1	173.3	-178	-9.7	0	0	0	110.4	G178 V202 E206 V207	G178-D204 WeakPolarHBondContact CA-OD2 3.4Å; V202-D204 WeakPolarHBondContact CG1-O 3.33Å; D204-E206 PolarHBondContact O-N 3.3Å; D204-E206 PolarHBondContact OD1-N 2.96Å; D204-V207 HydrophobicContact CB-CB 4.37Å; D204-V207 WeakPolarHBondContact O-CG1 3.38Å; D204-V207 PolarHBondContact O-N 3.39Å
205	P	82.1	Confident	96.3	Very high	77 Å²	77	42.3 Å²	42.3	50%	0.5	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.3	-177	30.5	-36.2	0	0	0	114.2	T203 Q236	T203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-Q236 PolarHBondContact O-NE2 3.37Å
206	E	93.9	Very high	96.3	Very high	128 Å²	128	42.7 Å²	42.7	60%	0.598	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-19.2	-177.7	-63.4	-173.1	180	0	0	112.9	D204 I208 G209 Q210	D204-E206 PolarHBondContact O-N 3.3Å; D204-E206 PolarHBondContact OD1-N 2.96Å; E206-I208 VanDerWaalsContact C-N 3.32Å; E206-I208 PolarHBondContact O-N 2.97Å; E206-G209 PolarHBondContact O-N 3.36Å; E206-G209 VanDerWaalsContact O-N 3.07Å; E206-Q210 WeakPolarHBondContact O-CG 3.39Å; E206-Q210 PolarHBondContact O-N 2.84Å
207	V	97.6	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-36	-167.2	77	0	0	0	0	113.2	I175 L179 L182 V202 D204 Q210 L211	I175-V207 HydrophobicContact CG2-CB 4.48Å; I175-V207 HydrophobicContact CG2-CG1 4.11Å; I175-V207 HydrophobicContact CG2-CG2 4.17Å; L179-V207 HydrophobicContact CD2-CG2 4.33Å; L179-V207 HydrophobicContact CG-CG2 4.4Å; L182-V207 HydrophobicContact CD2-CG2 3.6Å; V202-V207 HydrophobicContact CG1-CG1 3.35Å; D204-V207 HydrophobicContact CB-CB 4.37Å; D204-V207 WeakPolarHBondContact O-CG1 3.38Å; D204-V207 PolarHBondContact O-N 3.39Å; V207-Q210 PolarHBondContact O-N 2.88Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.25Å; V207-L211 PolarHBondContact O-N 3.18Å
208	I	98	Very high	96.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-46.3	176.9	-66.9	-175.1	0	0	0	109.8	L197 E206 Q210 L211 V212 V218 A233 Q236 A238	L197-I208 HydrophobicContact CD1-CD1 4.33Å; E206-I208 VanDerWaalsContact C-N 3.32Å; E206-I208 PolarHBondContact O-N 2.97Å; I208-Q210 VanDerWaalsContact C-N 3.34Å; I208-Q210 PolarHBondContact O-N 3.24Å; I208-L211 PolarHBondContact O-N 3.16Å; I208-V212 VanDerWaalsContact O-CG2 3.28Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 3.01Å; I208-V218 HydrophobicContact CD1-CG1 4.39Å; I208-V218 HydrophobicContact CG1-CG1 4.3Å; I208-V218 HydrophobicContact CG2-CB 4.23Å; I208-V218 HydrophobicContact CG2-CG1 4.16Å; I208-V218 HydrophobicContact CG2-CG2 4.19Å; I208-A233 HydrophobicContact CD1-CB 3.76Å; I208-Q236 HydrophobicContact CB-CB 3.89Å; I208-Q236 HydrophobicContact CG2-CB 3.84Å; I208-A238 HydrophobicContact CG2-CB 4.25Å
209	G	97.7	Very high	96.3	Very high	21 Å²	21	43.2 Å²	43.2	22%	0.216	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-44.6	175.9	0	0	0	0	0	111.9	E206 L211 V212 E213 Q236	E206-G209 PolarHBondContact O-N 3.36Å; E206-G209 VanDerWaalsContact O-N 3.07Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 2.96Å; G209-V212 PolarHBondContact O-N 2.94Å; G209-E213 WeakPolarHBondContact O-CG 3.46Å; G209-E213 PolarHBondContact O-N 2.85Å; G209-Q236 WeakPolarHBondContact CA-O 3.48Å; G209-Q236 PolarHBondContact N-O 3.1Å
210	Q	98	Very high	96.4	Very high	49 Å²	49	42.9 Å²	42.9	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-33.3	178.5	-66.4	176.1	3.6	0	0	113.3	L179 E206 V207 I208 R214	L179-Q210 HydrophobicContact CD1-CB 3.92Å; L179-Q210 VanDerWaalsContact CD1-OE1 3.25Å; L179-Q210 HydrophobicContact CG-CB 4.2Å; L179-Q210 VanDerWaalsContact CG-OE1 3.24Å; E206-Q210 WeakPolarHBondContact O-CG 3.39Å; E206-Q210 PolarHBondContact O-N 2.84Å; V207-Q210 PolarHBondContact O-N 2.88Å; I208-Q210 VanDerWaalsContact C-N 3.34Å; I208-Q210 PolarHBondContact O-N 3.24Å; Q210-R214 WeakPolarHBondContact O-CD 3.34Å; Q210-R214 WeakPolarHBondContact O-CG 3.11Å; Q210-R214 PolarHBondContact O-N 3.04Å; Q210-R214 PolarHBondContact O-NH1 2.96Å
211	L	98.3	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-44.4	172.7	-71.7	171	0	0	0	111.1	L179 L189 I195 V207 I208 G209 E213 R214 G215 I216 V218	L179-L211 HydrophobicContact CD2-CD2 3.87Å; L179-L211 HydrophobicContact CD2-CG 4.34Å; L189-L211 HydrophobicContact CD1-CD2 4.26Å; I195-L211 HydrophobicContact CD1-CD1 4.14Å; I195-L211 HydrophobicContact CD1-CD2 3.85Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.25Å; V207-L211 PolarHBondContact O-N 3.18Å; I208-L211 PolarHBondContact O-N 3.16Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 2.96Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 2.8Å; L211-R214 WeakPolarHBondContact O-CA 3.43Å; L211-R214 WeakPolarHBondContact O-CB 3.29Å; L211-R214 PolarHBondContact O-N 2.89Å; L211-G215 PolarHBondContact O-N 3.43Å; L211-I216 HydrophobicContact CB-CB 4.39Å; L211-I216 HydrophobicContact CD2-CD1 3.87Å; L211-I216 WeakPolarHBondContact O-CB 3.33Å; L211-I216 PolarHBondContact O-N 2.93Å; L211-V218 HydrophobicContact CB-CG2 3.74Å; L211-V218 HydrophobicContact CD1-CG2 3.93Å
212	V	97.7	Very high	96.5	Very high	38 Å²	38	38.8 Å²	38.8	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-39.9	179.1	172.9	0	0	0	0	111.7	I208 G209 R214 G215 V218 G237	I208-V212 VanDerWaalsContact O-CG2 3.28Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 3.01Å; G209-V212 PolarHBondContact O-N 2.94Å; V212-R214 PolarHBondContact O-N 3.24Å; V212-G215 PolarHBondContact O-N 2.85Å; V212-V218 HydrophobicContact CG2-CG2 4.14Å; V212-G237 WeakPolarHBondContact CG2-O 3.35Å
213	E	97.5	Very high	96.6	Very high	157 Å²	157	38.2 Å²	38.2	73%	0.734	21%	0.209	S	C	*	.	H	α-helix	trans	-59.7	-27.4	173.3	-75.9	175.2	178.1	0	0	113	G209 L211 G215	G209-E213 WeakPolarHBondContact O-CG 3.46Å; G209-E213 PolarHBondContact O-N 2.85Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 2.8Å; E213-G215 PolarHBondContact O-N 3.22Å
214	R	97.4	Very high	96.8	Very high	131 Å²	131	36.7 Å²	36.7	49%	0.494	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	175	-72	163.7	175.5	64.5	6.1	113.2	Q210 L211 V212 I216	Q210-R214 WeakPolarHBondContact O-CD 3.34Å; Q210-R214 WeakPolarHBondContact O-CG 3.11Å; Q210-R214 PolarHBondContact O-N 3.04Å; Q210-R214 PolarHBondContact O-NH1 2.96Å; L211-R214 WeakPolarHBondContact O-CA 3.43Å; L211-R214 WeakPolarHBondContact O-CB 3.29Å; L211-R214 PolarHBondContact O-N 2.89Å; V212-R214 PolarHBondContact O-N 3.24Å; R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 HydrophobicContact CB-CD1 4.42Å; R214-I216 HydrophobicContact CB-CG1 4.42Å
215	G	97.5	Very high	97.2	Very high	45 Å²	45	34.9 Å²	34.9	46%	0.464	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	13.2	-177.9	0	0	0	0	0	114.2	L211 V212 E213	L211-G215 PolarHBondContact O-N 3.43Å; V212-G215 PolarHBondContact O-N 2.85Å; E213-G215 PolarHBondContact O-N 3.22Å
216	I	98.7	Very high	97.9	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.036	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-84.7	129.5	174.8	-60	173.1	0	0	0	108.6	L189 I192 I195 L211 R214 V218	L189-I216 HydrophobicContact CB-CD1 4.15Å; I192-I216 HydrophobicContact CG2-CG2 4.35Å; I195-I216 HydrophobicContact CB-CG2 4.36Å; I195-I216 HydrophobicContact CD1-CD1 4.43Å; I195-I216 HydrophobicContact CD1-CG2 3.98Å; I195-I216 HydrophobicContact CG1-CG2 3.86Å; L211-I216 HydrophobicContact CB-CB 4.39Å; L211-I216 HydrophobicContact CD2-CD1 3.87Å; L211-I216 WeakPolarHBondContact O-CB 3.33Å; L211-I216 PolarHBondContact O-N 2.93Å; R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 HydrophobicContact CB-CD1 4.42Å; R214-I216 HydrophobicContact CB-CG1 4.42Å; I216-V218 PolarHBondContact O-N 3.3Å
217	T	98.8	Very high	98.1	Very high	11 Å²	11	27.6 Å²	27.6	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.6	172.2	-56.7	0	0	0	0	108.8	K193 I194 I195 L240	K193-T217 PolarHBondContact O-N 3.35Å; I194-T217 CarbonylContact C-O 3.44Å; I194-T217 VanDerWaalsContact CA-O 3.28Å; I194-T217 WeakPolarHBondContact CA-O 3.19Å; I195-T217 PolarHBondContact N-O 2.84Å; T217-L240 HydrophobicContact CG2-CB 4Å; T217-L240 HydrophobicContact CG2-CD2 4.29Å
218	V	98.8	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121	174.6	-179.9	0	0	0	0	108.9	L197 I208 L211 V212 I216 A238 T239 L240	L197-V218 HydrophobicContact CD1-CG1 4.31Å; L197-V218 HydrophobicContact CD2-CG1 3.94Å; L197-V218 HydrophobicContact CG-CG1 4.03Å; I208-V218 HydrophobicContact CD1-CG1 4.39Å; I208-V218 HydrophobicContact CG1-CG1 4.3Å; I208-V218 HydrophobicContact CG2-CB 4.23Å; I208-V218 HydrophobicContact CG2-CG1 4.16Å; I208-V218 HydrophobicContact CG2-CG2 4.19Å; L211-V218 HydrophobicContact CB-CG2 3.74Å; L211-V218 HydrophobicContact CD1-CG2 3.93Å; V212-V218 HydrophobicContact CG2-CG2 4.14Å; I216-V218 PolarHBondContact O-N 3.3Å; V218-A238 HydrophobicContact CB-CB 4.2Å; V218-A238 HydrophobicContact CG1-CB 4.05Å; V218-T239 PolarHBondContact O-N 2.59Å; V218-L240 PolarHBondContact O-N 3.12Å
219	A	98.9	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.9	177.4	0	0	0	0	0	111.1	I194 I195 T196 L197 L240 T242	I194-A219 HydrophobicContact CG2-CB 4.01Å; I195-A219 PolarHBondContact O-N 3Å; T196-A219 WeakPolarHBondContact CA-O 3.45Å; L197-A219 PolarHBondContact N-O 3.13Å; A219-L240 CarbonylContact C-O 2.94Å; A219-L240 WeakPolarHBondContact CA-O 3.28Å; A219-L240 HydrophobicContact CB-CB 3.77Å; A219-L240 HydrophobicContact CB-CD2 3.87Å; A219-L240 HydrophobicContact CB-CG 3.77Å; A219-T242 VanDerWaalsContact CB-OG1 3.31Å; A219-T242 WeakPolarHBondContact CB-OG1 3.09Å
220	L	98.8	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.2	178.3	-51.6	-178.4	0	0	0	109.3	L197 P199 A233 A238 L240 I241 T242 L258 L261	L197-L220 HydrophobicContact CD1-CD2 4.09Å; L197-L220 WeakPolarHBondContact O-CA 3.36Å; P199-L220 HydrophobicContact CB-CD2 4.18Å; P199-L220 HydrophobicContact CG-CD2 4.19Å; L220-A233 HydrophobicContact CD1-CB 4.02Å; L220-A233 HydrophobicContact CD2-CB 3.82Å; L220-A238 HydrophobicContact CD1-CB 4.4Å; L220-A238 HydrophobicContact CD2-CB 3.92Å; L220-A238 HydrophobicContact CG-CB 4.15Å; L220-L240 PolarHBondContact N-O 3.19Å; L220-I241 WeakPolarHBondContact O-CA 3.45Å; L220-T242 PolarHBondContact O-N 3.13Å; L220-L258 HydrophobicContact CB-CD1 3.97Å; L220-L258 HydrophobicContact CB-CD2 4.47Å; L220-L258 HydrophobicContact CD1-CD2 4.12Å; L220-L261 HydrophobicContact CD1-CD1 3.77Å
221	G	98.3	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.			trans	-168.1	170.3	-177	0	0	0	0	0	112.6	L197 S223	L197-G221 CarbonylContact C-O 3.39Å; L197-G221 PolarHBondContact O-N 3.04Å; L197-G221 VanDerWaalsContact O-N 3.07Å; G221-S223 VanDerWaalsContact C-N 3.3Å; G221-S223 WeakPolarHBondContact O-CB 3.47Å; G221-S223 PolarHBondContact O-N 2.74Å
222	H	97.9	Very high	98	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	50.1	49.7	179.9	-71.8	-94.6	0	0	0	112.9	E155 I159 N160 K163 H167 H243 A247	E155-H222 IonicContact OE1-CD2 3.38Å; E155-H222 PolarHBondContact OE1-CD2 3.23Å; E155-H222 VanDerWaalsContact OE1-CD2 3.25Å; E155-H222 IonicContact OE1-NE2 2.68Å; E155-H222 PolarHBondContact OE1-NE2 3.21Å; I159-H222 HydrophobicContact CB-CB 3.58Å; I159-H222 HydrophobicContact CD1-CB 4.03Å; I159-H222 HydrophobicContact CG1-CB 4.4Å; I159-H222 HydrophobicContact CG2-CB 3.56Å; N160-H222 VanDerWaalsContact CB-O 3.3Å; N160-H222 WeakPolarHBondContact CB-O 3.47Å; N160-H222 PolarHBondContact N-O 3.19Å; K163-H222 PolarHBondContact O-ND1 3.31Å; H167-H222 AromaticContact CD2-CE1 3.46Å; H167-H222 PolarHBondContact CD2-CE1 3.03Å; H167-H222 VanDerWaalsContact CD2-CE1 3.46Å; H167-H222 AromaticContact CD2-ND1 3.92Å; H167-H222 AromaticContact NE2-CE1 3.31Å; H167-H222 PolarHBondContact NE2-CE1 3.21Å; H167-H222 VanDerWaalsContact NE2-CE1 3.31Å; H167-H222 AromaticContact NE2-ND1 3.99Å; H167-H222 AromaticContact NE2-NE2 3.5Å; H167-H222 PolarHBondContact NE2-NE2 3.42Å; H222-H243 AromaticContact CD2-CE1 3.63Å; H222-H243 AromaticContact CD2-NE2 3.64Å; H222-H243 AromaticContact NE2-CE1 3.38Å; H222-H243 PolarHBondContact NE2-CE1 3.34Å; H222-H243 AromaticContact NE2-NE2 3.03Å; H222-H243 PolarHBondContact NE2-NE2 3.35Å; H222-A247 CarbonylContact C-O 3.55Å; H222-A247 WeakPolarHBondContact CA-O 3.46Å; H222-A247 PolarHBondContact N-O 2.87Å; H222-A247 WeakPolarHBondContact ND1-CB 3.11Å
223	S	98.4	Very high	98	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-136.2	144.8	-159.5	170.4	0	0	0	0	113.3	E200 G221 A225 A247 M248	E200-S223 VanDerWaalsContact CD-OG 3.3Å; E200-S223 PolarHBondContact OE1-OG 3.43Å; E200-S223 PolarHBondContact OE2-OG 3.21Å; G221-S223 VanDerWaalsContact C-N 3.3Å; G221-S223 WeakPolarHBondContact O-CB 3.47Å; G221-S223 PolarHBondContact O-N 2.74Å; S223-A225 WeakPolarHBondContact OG-CB 3.35Å; S223-A225 PolarHBondContact OG-N 3.05Å; S223-A247 PolarHBondContact N-O 2.97Å; S223-M248 WeakPolarHBondContact O-CA 3.36Å
224	M	98.1	Very high	98	Very high	58 Å²	58	27.3 Å²	27.3	29%	0.286	14%	0.144	S	C	.	.			trans	-96.8	14.9	169.3	-67.1	-69.4	-68.9	0	0	112.4	N160 Q162 K163 E200 L249	N160-M224 HydrophobicContact CB-CG 4.31Å; N160-M224 WeakPolarHBondContact ND2-CB 3.45Å; N160-M224 WeakPolarHBondContact ND2-CG 3.22Å; Q162-M224 HydrophobicContact CB-CG 3.95Å; Q162-M224 HydrophobicContact CB-SD 4.05Å; K163-M224 HydrophobicContact CD-SD 4.1Å; K163-M224 WeakPolarHBondContact CE-SD 3.49Å; K163-M224 HydrophobicContact CG-CG 3.93Å; K163-M224 HydrophobicContact CG-SD 3.66Å; E200-M224 PolarHBondContact OE1-N 3.41Å; M224-L249 HydrophobicContact CE-CD2 3.59Å; M224-L249 WeakPolarHBondContact O-CD1 3.45Å; M224-L249 HydrophobicContact SD-CD2 3.62Å; M224-L249 HydrophobicContact SD-CG 4.33Å
225	A	97.9	Very high	97.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.147	C	C	.	.			trans	-61	138.2	-176.5	0	0	0	0	0	113.4	P199 S223 D229 L258	P199-A225 HydrophobicContact CG-CB 3.65Å; S223-A225 WeakPolarHBondContact OG-CB 3.35Å; S223-A225 PolarHBondContact OG-N 3.05Å; A225-D229 HydrophobicContact CB-CB 3.74Å; A225-L258 HydrophobicContact CB-CD1 4.47Å; A225-L258 HydrophobicContact CB-CD2 3.76Å; A225-L258 HydrophobicContact CB-CG 4.04Å
226	S	97.9	Very high	97.8	Very high	19 Å²	19	27 Å²	27	13%	0.133	14%	0.136	C	C	.	.			trans	-66.6	168.6	163	66.3	0	0	0	0	110.9	S228 D229 G230 D255	S226-S228 PolarHBondContact O-N 3.34Å; S226-S228 PolarHBondContact OG-N 3.11Å; S226-S228 PolarHBondContact OG-OG 3.37Å; S226-D229 PolarHBondContact N-OD2 2.82Å; S226-D229 VanDerWaalsContact N-OD2 3.11Å; S226-D229 PolarHBondContact O-N 2.9Å; S226-D229 VanDerWaalsContact OG-CG 3.27Å; S226-D229 PolarHBondContact OG-N 3.02Å; S226-D229 VanDerWaalsContact OG-N 3.16Å; S226-D229 PolarHBondContact OG-OD2 3.19Å; S226-G230 PolarHBondContact O-N 2.81Å; S226-D255 WeakPolarHBondContact CA-OD2 3.48Å; S226-D255 WeakPolarHBondContact CB-OD2 3.48Å
227	L	98.2	Very high	97.8	Very high	33 Å²	33	27 Å²	27	17%	0.173	14%	0.137	C	C	.	.	H	α-helix	trans	-55.7	-42.7	168.2	175.8	57.8	0	0	0	111.2	D229 G230 E231 D255 P256 L261	L227-D229 VanDerWaalsContact C-N 3.3Å; L227-D229 PolarHBondContact O-N 2.83Å; L227-G230 WeakPolarHBondContact O-CA 3.4Å; L227-G230 PolarHBondContact O-N 3.17Å; L227-G230 VanDerWaalsContact O-N 3.09Å; L227-E231 HydrophobicContact CD1-CG 3.88Å; L227-E231 HydrophobicContact CG-CG 4.11Å; L227-E231 WeakPolarHBondContact CG-OE1 3.43Å; L227-E231 WeakPolarHBondContact O-CG 3.38Å; L227-E231 PolarHBondContact O-N 3.42Å; L227-D255 WeakPolarHBondContact CB-OD1 3.45Å; L227-D255 PolarHBondContact N-OD1 2.79Å; L227-P256 HydrophobicContact CD2-CG 4.4Å; L227-L261 HydrophobicContact CD1-CD2 3.95Å; L227-L261 HydrophobicContact CD1-CG 4.24Å
228	S	97.4	Very high	97.7	Very high	73 Å²	73	26.4 Å²	26.4	51%	0.51	13%	0.134	S	C	.	.	H	α-helix	trans	-63.1	-34.1	-178.1	71.5	0	0	0	0	113.6	S226 R232	S226-S228 PolarHBondContact O-N 3.34Å; S226-S228 PolarHBondContact OG-N 3.11Å; S226-S228 PolarHBondContact OG-OG 3.37Å; S228-R232 WeakPolarHBondContact O-CB 3.28Å; S228-R232 PolarHBondContact O-N 3.08Å; S228-R232 VanDerWaalsContact O-N 3.09Å
229	D	97.3	Very high	97.7	Very high	33 Å²	33	27.6 Å²	27.6	18%	0.176	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-43.3	173.5	-65.3	-52.6	0	0	0	111.2	P199 A225 S226 L227 R232 A233	P199-D229 HydrophobicContact CG-CB 4.4Å; A225-D229 HydrophobicContact CB-CB 3.74Å; S226-D229 PolarHBondContact N-OD2 2.82Å; S226-D229 VanDerWaalsContact N-OD2 3.11Å; S226-D229 PolarHBondContact O-N 2.9Å; S226-D229 VanDerWaalsContact OG-CG 3.27Å; S226-D229 PolarHBondContact OG-N 3.02Å; S226-D229 VanDerWaalsContact OG-N 3.16Å; S226-D229 PolarHBondContact OG-OD2 3.19Å; L227-D229 VanDerWaalsContact C-N 3.3Å; L227-D229 PolarHBondContact O-N 2.83Å; D229-R232 PolarHBondContact O-N 2.72Å; D229-R232 IonicContact OD1-CZ 3.35Å; D229-R232 IonicContact OD1-NH2 2.7Å; D229-R232 PolarHBondContact OD1-NH2 2.82Å; D229-A233 PolarHBondContact O-N 3.2Å; D229-A233 VanDerWaalsContact O-N 3.08Å
230	G	97.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-46	175	0	0	0	0	0	112.5	S226 L227 R232 A233 V234	S226-G230 PolarHBondContact O-N 2.81Å; L227-G230 WeakPolarHBondContact O-CA 3.4Å; L227-G230 PolarHBondContact O-N 3.17Å; L227-G230 VanDerWaalsContact O-N 3.09Å; G230-R232 VanDerWaalsContact C-N 3.33Å; G230-R232 PolarHBondContact O-N 3.04Å; G230-A233 PolarHBondContact O-N 3.36Å; G230-A233 VanDerWaalsContact O-N 3.16Å; G230-V234 WeakPolarHBondContact O-CG2 3.42Å; G230-V234 PolarHBondContact O-N 3.43Å
231	E	97.4	Very high	97.7	Very high	43 Å²	43	28 Å²	28	20%	0.201	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-42.4	-179.7	-72.1	174.1	161.5	0	0	111.2	L227 A233 V234 Q235 L261 S264 A266	L227-E231 HydrophobicContact CD1-CG 3.88Å; L227-E231 HydrophobicContact CG-CG 4.11Å; L227-E231 WeakPolarHBondContact CG-OE1 3.43Å; L227-E231 WeakPolarHBondContact O-CG 3.38Å; L227-E231 PolarHBondContact O-N 3.42Å; E231-A233 PolarHBondContact O-N 2.7Å; E231-V234 PolarHBondContact O-N 3Å; E231-Q235 VanDerWaalsContact O-CG 3.31Å; E231-Q235 WeakPolarHBondContact O-CG 3.36Å; E231-Q235 PolarHBondContact O-N 3.09Å; E231-L261 HydrophobicContact CG-CD2 3.87Å; E231-S264 WeakPolarHBondContact OE1-CB 3.39Å; E231-S264 PolarHBondContact OE1-OG 3.38Å; E231-A266 HydrophobicContact CB-CB 4.15Å; E231-A266 HydrophobicContact CG-CB 3.86Å
232	R	96.8	Very high	97.7	Very high	109 Å²	109	28.1 Å²	28.1	41%	0.411	14%	0.144	S	C	.	.	H	α-helix	trans	-59.6	-44.4	173.6	174.9	170.4	51.3	134	-2.5	111.8	S228 D229 G230 V234 Q235 Q236	S228-R232 WeakPolarHBondContact O-CB 3.28Å; S228-R232 PolarHBondContact O-N 3.08Å; S228-R232 VanDerWaalsContact O-N 3.09Å; D229-R232 PolarHBondContact O-N 2.72Å; D229-R232 IonicContact OD1-CZ 3.35Å; D229-R232 IonicContact OD1-NH2 2.7Å; D229-R232 PolarHBondContact OD1-NH2 2.82Å; G230-R232 VanDerWaalsContact C-N 3.33Å; G230-R232 PolarHBondContact O-N 3.04Å; R232-V234 PolarHBondContact O-N 3.29Å; R232-Q235 WeakPolarHBondContact O-CB 3.31Å; R232-Q235 PolarHBondContact O-N 3.05Å; R232-Q236 VanDerWaalsContact O-CG 3.32Å; R232-Q236 WeakPolarHBondContact O-CG 3.5Å; R232-Q236 PolarHBondContact O-N 2.89Å
233	A	97.5	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-38.6	176.7	0	0	0	0	0	112.4	P199 I208 L220 D229 G230 E231 Q236 G237 A238	P199-A233 HydrophobicContact CB-CB 3.81Å; I208-A233 HydrophobicContact CD1-CB 3.76Å; L220-A233 HydrophobicContact CD1-CB 4.02Å; L220-A233 HydrophobicContact CD2-CB 3.82Å; D229-A233 PolarHBondContact O-N 3.2Å; D229-A233 VanDerWaalsContact O-N 3.08Å; G230-A233 PolarHBondContact O-N 3.36Å; G230-A233 VanDerWaalsContact O-N 3.16Å; E231-A233 PolarHBondContact O-N 2.7Å; A233-Q236 CarbonylContact O-C 3.56Å; A233-Q236 WeakPolarHBondContact O-CB 3.37Å; A233-Q236 PolarHBondContact O-N 2.71Å; A233-G237 PolarHBondContact O-N 2.84Å; A233-A238 HydrophobicContact CB-CB 4.21Å; A233-A238 WeakPolarHBondContact O-CB 3.46Å; A233-A238 PolarHBondContact O-N 2.92Å
234	V	97.6	Very high	97.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-37.9	174.9	171	0	0	0	0	111.9	G230 E231 R232 Q236 G237 A238 L261 V267 R271 V273	G230-V234 WeakPolarHBondContact O-CG2 3.42Å; G230-V234 PolarHBondContact O-N 3.43Å; E231-V234 PolarHBondContact O-N 3Å; R232-V234 PolarHBondContact O-N 3.29Å; V234-Q236 VanDerWaalsContact C-N 3.29Å; V234-Q236 PolarHBondContact O-N 2.94Å; V234-G237 PolarHBondContact O-N 2.79Å; V234-G237 VanDerWaalsContact O-N 3.09Å; V234-A238 WeakPolarHBondContact CA-O 3.18Å; V234-L261 HydrophobicContact CG2-CD1 4.12Å; V234-L261 HydrophobicContact CG2-CD2 4.1Å; V234-V267 HydrophobicContact CG1-CG1 4.23Å; V234-V267 HydrophobicContact CG1-CG2 4.33Å; V234-R271 PolarHBondContact O-NH1 3.48Å; V234-V273 HydrophobicContact CG1-CG2 3.99Å; V234-V273 HydrophobicContact CG2-CG2 3.99Å
235	Q	96.2	Very high	97.5	Very high	121 Å²	121	28.5 Å²	28.5	57%	0.565	14%	0.144	S	C	*	.	H	α-helix	trans	-61.2	-39.8	172.5	-73.2	172.7	14.7	0	0	111.4	E231 R232 G237	E231-Q235 VanDerWaalsContact O-CG 3.31Å; E231-Q235 WeakPolarHBondContact O-CG 3.36Å; E231-Q235 PolarHBondContact O-N 3.09Å; R232-Q235 WeakPolarHBondContact O-CB 3.31Å; R232-Q235 PolarHBondContact O-N 3.05Å; Q235-G237 PolarHBondContact O-N 3.41Å
236	Q	96.2	Very high	97.3	Very high	47 Å²	47	30.1 Å²	30.1	22%	0.22	15%	0.153	C	C	.	.	H	α-helix	trans	-72.3	-13.2	175.1	-67.5	165.2	-14	0	0	113.6	P205 I208 G209 R232 A233 V234	P205-Q236 PolarHBondContact O-NE2 3.37Å; I208-Q236 HydrophobicContact CB-CB 3.89Å; I208-Q236 HydrophobicContact CG2-CB 3.84Å; G209-Q236 WeakPolarHBondContact CA-O 3.48Å; G209-Q236 PolarHBondContact N-O 3.1Å; R232-Q236 VanDerWaalsContact O-CG 3.32Å; R232-Q236 WeakPolarHBondContact O-CG 3.5Å; R232-Q236 PolarHBondContact O-N 2.89Å; A233-Q236 CarbonylContact O-C 3.56Å; A233-Q236 WeakPolarHBondContact O-CB 3.37Å; A233-Q236 PolarHBondContact O-N 2.71Å; V234-Q236 VanDerWaalsContact C-N 3.29Å; V234-Q236 PolarHBondContact O-N 2.94Å
237	G	96.9	Very high	97.1	Very high	7 Å²	7	30.5 Å²	30.5	7%	0.072	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.7	4.8	170.7	0	0	0	0	0	115.8	V212 A233 V234 Q235	V212-G237 WeakPolarHBondContact CG2-O 3.35Å; A233-G237 PolarHBondContact O-N 2.84Å; V234-G237 PolarHBondContact O-N 2.79Å; V234-G237 VanDerWaalsContact O-N 3.09Å; Q235-G237 PolarHBondContact O-N 3.41Å
238	A	98.1	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.			trans	-60.5	138.3	169.3	0	0	0	0	0	110.6	I208 V218 L220 A233 V234	I208-A238 HydrophobicContact CG2-CB 4.25Å; V218-A238 HydrophobicContact CB-CB 4.2Å; V218-A238 HydrophobicContact CG1-CB 4.05Å; L220-A238 HydrophobicContact CD1-CB 4.4Å; L220-A238 HydrophobicContact CD2-CB 3.92Å; L220-A238 HydrophobicContact CG-CB 4.15Å; A233-A238 HydrophobicContact CB-CB 4.21Å; A233-A238 WeakPolarHBondContact O-CB 3.46Å; A233-A238 PolarHBondContact O-N 2.92Å; V234-A238 WeakPolarHBondContact CA-O 3.18Å
239	T	98.2	Very high	97	Very high	25 Å²	25	28 Å²	28	15%	0.153	14%	0.137	C	C	.	.			trans	-135.1	1.5	-174	53.7	0	0	0	0	114	V218 R271 Y274	V218-T239 PolarHBondContact O-N 2.59Å; T239-R271 HydrophobicContact CG2-CG 4.25Å; T239-Y274 PolarHBondContact O-N 2.94Å
240	L	98.9	Very high	97	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.7	-178.1	-178.6	58.8	0	0	0	110.5	I194 T217 V218 A219 L220 Y274 I301	I194-L240 HydrophobicContact CD1-CD2 4.49Å; I194-L240 HydrophobicContact CG2-CD2 4.12Å; T217-L240 HydrophobicContact CG2-CB 4Å; T217-L240 HydrophobicContact CG2-CD2 4.29Å; V218-L240 PolarHBondContact O-N 3.12Å; A219-L240 CarbonylContact C-O 2.94Å; A219-L240 WeakPolarHBondContact CA-O 3.28Å; A219-L240 HydrophobicContact CB-CB 3.77Å; A219-L240 HydrophobicContact CB-CD2 3.87Å; A219-L240 HydrophobicContact CB-CG 3.77Å; L220-L240 PolarHBondContact N-O 3.19Å; L240-Y274 CarbonylContact C-O 3.51Å; L240-Y274 VanDerWaalsContact CA-O 3.29Å; L240-Y274 WeakPolarHBondContact CA-O 3.46Å; L240-I301 HydrophobicContact CD1-CD1 4.16Å
241	I	98.8	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.5	164.7	-57.3	171.5	0	0	0	107.4	L220 L244 M248 L261 L262 V273 Y274 F275 G276	L220-I241 WeakPolarHBondContact O-CA 3.45Å; I241-L244 HydrophobicContact CD1-CD1 4.44Å; I241-L244 HydrophobicContact CG2-CD1 4.13Å; I241-M248 HydrophobicContact CG2-CE 3.87Å; I241-L261 HydrophobicContact CD1-CB 4.03Å; I241-L261 HydrophobicContact CD1-CD1 4.13Å; I241-L261 HydrophobicContact CG1-CD1 4.43Å; I241-L262 HydrophobicContact CD1-CD1 3.76Å; I241-V273 HydrophobicContact CD1-CG1 3.97Å; I241-V273 HydrophobicContact CG1-CG1 4.03Å; I241-Y274 PolarHBondContact N-O 2.91Å; I241-F275 HydrophobicContact CB-CB 3.85Å; I241-F275 HydrophobicContact CD1-CB 4.45Å; I241-F275 CarbonylContact O-C 3.54Å; I241-F275 WeakPolarHBondContact O-CA 3.49Å; I241-G276 PolarHBondContact O-N 2.88Å
242	T	98.7	Very high	96.8	Very high	2 Å²	2	39 Å²	39	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-78.6	134.5	178.5	-51.8	0	0	0	0	109.3	Q85 E155 T196 A219 L220 L244 M248	Q85-T242 VanDerWaalsContact OE1-CG2 3.3Å; E155-T242 WeakPolarHBondContact OE1-CG2 3.29Å; T196-T242 HydrophobicContact CG2-CG2 4.11Å; T196-T242 VanDerWaalsContact CG2-OG1 3.25Å; T196-T242 WeakPolarHBondContact CG2-OG1 3.34Å; T196-T242 PolarHBondContact OG1-OG1 3.39Å; A219-T242 VanDerWaalsContact CB-OG1 3.31Å; A219-T242 WeakPolarHBondContact CB-OG1 3.09Å; L220-T242 PolarHBondContact O-N 3.13Å; T242-L244 PolarHBondContact O-N 2.79Å; T242-L244 VanDerWaalsContact O-N 3.11Å; T242-M248 WeakPolarHBondContact O-CE 3.45Å
243	H	96.6	Very high	96.8	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	20%	0.204	C	C	.	.	S	Bend	trans	26.9	63.6	178.7	53.2	33.5	0	0	0	116	Q85 E155 H222 F245 N246 G276 I278 D305	Q85-H243 PolarHBondContact NE2-CD2 3.23Å; E155-H243 IonicContact OE1-CD2 3.51Å; E155-H243 IonicContact OE1-CE1 3.85Å; E155-H243 IonicContact OE1-NE2 2.72Å; E155-H243 PolarHBondContact OE1-NE2 3.17Å; H222-H243 AromaticContact CD2-CE1 3.63Å; H222-H243 AromaticContact CD2-NE2 3.64Å; H222-H243 AromaticContact NE2-CE1 3.38Å; H222-H243 PolarHBondContact NE2-CE1 3.34Å; H222-H243 AromaticContact NE2-NE2 3.03Å; H222-H243 PolarHBondContact NE2-NE2 3.35Å; H243-F245 PolarHBondContact O-N 2.82Å; H243-N246 HydrophobicContact CB-CB 4.22Å; H243-N246 PolarHBondContact ND1-O 2.94Å; H243-N246 VanDerWaalsContact O-CB 3.25Å; H243-N246 WeakPolarHBondContact O-CB 3.25Å; H243-N246 PolarHBondContact O-N 3.37Å; H243-N246 PolarHBondContact O-ND2 3.07Å; H243-G276 CarbonylContact C-O 3.54Å; H243-G276 VanDerWaalsContact CA-O 3.27Å; H243-G276 WeakPolarHBondContact CA-O 3.41Å; H243-I278 HydrophobicContact CB-CD1 3.83Å; H243-I278 HydrophobicContact CB-CG1 4.2Å; H243-D305 IonicContact CD2-OD2 2.78Å
244	L	97.8	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-33.6	132.6	-178.1	-172.6	69.8	0	0	0	113.3	I241 T242 N246 M248 V259 L262 F275 G276 I277 A292	I241-L244 HydrophobicContact CD1-CD1 4.44Å; I241-L244 HydrophobicContact CG2-CD1 4.13Å; T242-L244 PolarHBondContact O-N 2.79Å; T242-L244 VanDerWaalsContact O-N 3.11Å; L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 2.96Å; L244-N246 PolarHBondContact O-ND2 2.8Å; L244-M248 HydrophobicContact CD1-SD 4.2Å; L244-V259 HydrophobicContact CD1-CG2 4.21Å; L244-L262 HydrophobicContact CD1-CD1 3.84Å; L244-L262 HydrophobicContact CD2-CD1 4.22Å; L244-L262 HydrophobicContact CD2-CD2 3.66Å; L244-F275 HydrophobicContact CB-CB 4.27Å; L244-F275 HydrophobicContact CB-CD2 4.06Å; L244-F275 HydrophobicContact CD2-CD2 3.53Å; L244-F275 HydrophobicContact CD2-CE2 3.82Å; L244-F275 HydrophobicContact CD2-CG 4.08Å; L244-F275 HydrophobicContact CG-CD2 4.35Å; L244-G276 PolarHBondContact N-O 2.92Å; L244-I277 HydrophobicContact CD2-CD1 4.46Å; L244-A292 HydrophobicContact CD2-CB 3.77Å
245	F	95.9	Very high	96.8	Very high	70 Å²	70	52.1 Å²	52.1	31%	0.307	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-25.3	-171.7	-47.6	-60.4	0	0	0	116.1	H243 M248 V259 I277 T284 A288 A292	H243-F245 PolarHBondContact O-N 2.82Å; F245-M248 VanDerWaalsContact N-CE 3.33Å; F245-M248 PolarHBondContact N-SD 3.27Å; F245-V259 HydrophobicContact CD1-CG1 4.45Å; F245-V259 HydrophobicContact CD1-CG2 4.02Å; F245-V259 HydrophobicContact CE1-CG1 3.83Å; F245-V259 HydrophobicContact CE1-CG2 4.23Å; F245-I277 HydrophobicContact CD2-CD1 4.36Å; F245-I277 HydrophobicContact CE2-CD1 4.01Å; F245-T284 HydrophobicContact CD2-CG2 4.06Å; F245-T284 HydrophobicContact CE2-CG2 4.41Å; F245-A288 HydrophobicContact CD2-CB 4.14Å; F245-A288 HydrophobicContact CE2-CB 3.82Å; F245-A288 HydrophobicContact CZ-CB 4.34Å; F245-A292 HydrophobicContact CE2-CB 4.12Å; F245-A292 HydrophobicContact CZ-CB 4.19Å
246	N	93.5	Very high	96.8	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	141.8	-177.9	-54.1	-88.5	0	0	0	110.2	H243 L244 M248	H243-N246 HydrophobicContact CB-CB 4.22Å; H243-N246 PolarHBondContact ND1-O 2.94Å; H243-N246 VanDerWaalsContact O-CB 3.25Å; H243-N246 WeakPolarHBondContact O-CB 3.25Å; H243-N246 PolarHBondContact O-N 3.37Å; H243-N246 PolarHBondContact O-ND2 3.07Å; L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 2.96Å; L244-N246 PolarHBondContact O-ND2 2.8Å; N246-M248 VanDerWaalsContact O-CE 3.32Å; N246-M248 WeakPolarHBondContact O-CE 3.43Å; N246-M248 PolarHBondContact O-N 2.92Å
247	A	94.2	Very high	96.9	Very high	27 Å²	27	45.4 Å²	45.4	22%	0.223	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	37.1	179.1	0	0	0	0	0	115.2	K163 H222 S223	K163-A247 WeakPolarHBondContact CB-O 3.25Å; H222-A247 CarbonylContact C-O 3.55Å; H222-A247 WeakPolarHBondContact CA-O 3.46Å; H222-A247 PolarHBondContact N-O 2.87Å; H222-A247 WeakPolarHBondContact ND1-CB 3.11Å; S223-A247 PolarHBondContact N-O 2.97Å
248	M	96.3	Very high	97	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.034	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-134.8	171.6	175.4	59.9	-173.1	71.4	0	0	111.6	K163 S223 I241 T242 L244 F245 N246 V259	K163-M248 VanDerWaalsContact CE-O 3.31Å; K163-M248 WeakPolarHBondContact CE-O 3.41Å; K163-M248 PolarHBondContact NZ-O 3.08Å; S223-M248 WeakPolarHBondContact O-CA 3.36Å; I241-M248 HydrophobicContact CG2-CE 3.87Å; T242-M248 WeakPolarHBondContact O-CE 3.45Å; L244-M248 HydrophobicContact CD1-SD 4.2Å; F245-M248 VanDerWaalsContact N-CE 3.33Å; F245-M248 PolarHBondContact N-SD 3.27Å; N246-M248 VanDerWaalsContact O-CE 3.32Å; N246-M248 WeakPolarHBondContact O-CE 3.43Å; N246-M248 PolarHBondContact O-N 2.92Å; M248-V259 HydrophobicContact SD-CG2 3.74Å
249	L	97	Very high	97	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.236	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-59.3	138.7	170.7	-74.5	-179.2	0	0	0	110.7	M224	M224-L249 HydrophobicContact CE-CD2 3.59Å; M224-L249 WeakPolarHBondContact O-CD1 3.45Å; M224-L249 HydrophobicContact SD-CD2 3.62Å; M224-L249 HydrophobicContact SD-CG 4.33Å
250	P	95.9	Very high	97	Very high	100 Å²	100	45.4 Å²	45.4	65%	0.649	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-65.4	150	169.8	30.2	-33.8	0	0	0	109.7	H252	P250-H252 PolarHBondContact O-N 2.82Å
251	F	95.6	Very high	96.9	Very high	133 Å²	133	45.1 Å²	45.1	58%	0.583	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-57.6	129.8	176.1	177.2	-87.5	0	0	0	111.1	P256 V259	F251-P256 HydrophobicContact CD2-CB 3.81Å; F251-P256 HydrophobicContact CE2-CB 3.66Å; F251-P256 HydrophobicContact CE2-CG 3.99Å; F251-V259 HydrophobicContact CD2-CG1 4.27Å
252	H	97	Very high	96.8	Very high	75 Å²	75	45.8 Å²	45.8	35%	0.347	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-132.3	136.8	171	-176.8	-85.5	0	0	0	110.3	P250 R254 D255 P256	P250-H252 PolarHBondContact O-N 2.82Å; H252-R254 PolarHBondContact ND1-N 3.26Å; H252-R254 PolarHBondContact O-N 2.8Å; H252-R254 VanDerWaalsContact O-N 3.1Å; H252-D255 CarbonylContact O-C 3.6Å; H252-D255 PolarHBondContact O-N 2.87Å; H252-D255 VanDerWaalsContact O-N 3.09Å; H252-P256 WeakPolarHBondContact O-CA 3.14Å; H252-P256 VanDerWaalsContact O-N 3.09Å
253	H	96.2	Very high	96.7	Very high	133 Å²	133	49.1 Å²	49.1	62%	0.616	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.1	-171.2	58.3	-80.7	0	0	0	115.3
254	R	96.6	Very high	96.7	Very high	193 Å²	193	49.7 Å²	49.7	73%	0.728	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-24.6	174.8	-68.6	-169.7	-69.2	-86.6	3.8	114.3	H252	H252-R254 PolarHBondContact ND1-N 3.26Å; H252-R254 PolarHBondContact O-N 2.8Å; H252-R254 VanDerWaalsContact O-N 3.1Å
255	D	97.5	Very high	96.6	Very high	61 Å²	61	57.9 Å²	57.9	33%	0.326	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-150.9	99	174.4	-178.3	-2	0	0	0	106.6	S226 L227 H252 G257	S226-D255 WeakPolarHBondContact CA-OD2 3.48Å; S226-D255 WeakPolarHBondContact CB-OD2 3.48Å; L227-D255 WeakPolarHBondContact CB-OD1 3.45Å; L227-D255 PolarHBondContact N-OD1 2.79Å; H252-D255 CarbonylContact O-C 3.6Å; H252-D255 PolarHBondContact O-N 2.87Å; H252-D255 VanDerWaalsContact O-N 3.09Å; D255-G257 PolarHBondContact O-N 2.9Å; D255-G257 VanDerWaalsContact O-N 3.15Å; D255-G257 PolarHBondContact OD1-N 2.7Å
256	P	97.4	Very high	96.6	Very high	26 Å²	26	56.2 Å²	56.2	17%	0.169	30%	0.302	C	S	.	.			trans	-66.7	-6.7	-178.9	-27.7	38.9	0	0	0	114.7	L227 F251 H252 G260	L227-P256 HydrophobicContact CD2-CG 4.4Å; F251-P256 HydrophobicContact CD2-CB 3.81Å; F251-P256 HydrophobicContact CE2-CB 3.66Å; F251-P256 HydrophobicContact CE2-CG 3.99Å; H252-P256 WeakPolarHBondContact O-CA 3.14Å; H252-P256 VanDerWaalsContact O-N 3.09Å; P256-G260 VanDerWaalsContact CB-CA 3.48Å
257	G	98.1	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	60.6	-155	-171.9	0	0	0	0	0	112	D255 V259 G260	D255-G257 PolarHBondContact O-N 2.9Å; D255-G257 VanDerWaalsContact O-N 3.15Å; D255-G257 PolarHBondContact OD1-N 2.7Å; G257-V259 PolarHBondContact O-N 2.7Å; G257-G260 PolarHBondContact O-N 3Å
258	L	98.3	Very high	96.5	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28	177.7	-63.4	-175.4	0	0	0	113.7	P199 L220 A225 G260 L261	P199-L258 HydrophobicContact CG-CD2 4.31Å; L220-L258 HydrophobicContact CB-CD1 3.97Å; L220-L258 HydrophobicContact CB-CD2 4.47Å; L220-L258 HydrophobicContact CD1-CD2 4.12Å; A225-L258 HydrophobicContact CB-CD1 4.47Å; A225-L258 HydrophobicContact CB-CD2 3.76Å; A225-L258 HydrophobicContact CB-CG 4.04Å; L258-G260 PolarHBondContact O-N 3.15Å; L258-L261 HydrophobicContact CD2-CD1 4.11Å; L258-L261 WeakPolarHBondContact O-CB 3.42Å; L258-L261 WeakPolarHBondContact O-CG 3.3Å; L258-L261 PolarHBondContact O-N 2.9Å; L258-L261 VanDerWaalsContact O-N 3.1Å
259	V	98	Very high	96.3	Very high	19 Å²	19	66 Å²	66	12%	0.115	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.5	175.1	179.7	0	0	0	0	111.2	L244 F245 M248 F251 G257 L261 L262	L244-V259 HydrophobicContact CD1-CG2 4.21Å; F245-V259 HydrophobicContact CD1-CG1 4.45Å; F245-V259 HydrophobicContact CD1-CG2 4.02Å; F245-V259 HydrophobicContact CE1-CG1 3.83Å; F245-V259 HydrophobicContact CE1-CG2 4.23Å; M248-V259 HydrophobicContact SD-CG2 3.74Å; F251-V259 HydrophobicContact CD2-CG1 4.27Å; G257-V259 PolarHBondContact O-N 2.7Å; V259-L261 PolarHBondContact O-N 3.22Å; V259-L262 PolarHBondContact O-N 2.86Å
260	G	97.9	Very high	96	Very high	10 Å²	10	67.7 Å²	67.7	10%	0.103	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.4	176.7	0	0	0	0	0	114.8	P256 G257 L258 L262 A263 S264	P256-G260 VanDerWaalsContact CB-CA 3.48Å; G257-G260 PolarHBondContact O-N 3Å; L258-G260 PolarHBondContact O-N 3.15Å; G260-L262 PolarHBondContact O-N 3.27Å; G260-L262 VanDerWaalsContact O-N 3.16Å; G260-A263 CarbonylContact O-C 3.47Å; G260-A263 PolarHBondContact O-N 2.89Å; G260-S264 PolarHBondContact O-N 2.68Å; G260-S264 VanDerWaalsContact O-N 3.12Å
261	L	97.8	Very high	95.9	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.1	179.1	-68.4	174.9	0	0	0	112.9	L220 L227 E231 V234 I241 L258 V259 A263 V273	L220-L261 HydrophobicContact CD1-CD1 3.77Å; L227-L261 HydrophobicContact CD1-CD2 3.95Å; L227-L261 HydrophobicContact CD1-CG 4.24Å; E231-L261 HydrophobicContact CG-CD2 3.87Å; V234-L261 HydrophobicContact CG2-CD1 4.12Å; V234-L261 HydrophobicContact CG2-CD2 4.1Å; I241-L261 HydrophobicContact CD1-CB 4.03Å; I241-L261 HydrophobicContact CD1-CD1 4.13Å; I241-L261 HydrophobicContact CG1-CD1 4.43Å; L258-L261 HydrophobicContact CD2-CD1 4.11Å; L258-L261 WeakPolarHBondContact O-CB 3.42Å; L258-L261 WeakPolarHBondContact O-CG 3.3Å; L258-L261 PolarHBondContact O-N 2.9Å; L258-L261 VanDerWaalsContact O-N 3.1Å; V259-L261 PolarHBondContact O-N 3.22Å; L261-A263 PolarHBondContact O-N 2.82Å; L261-V273 HydrophobicContact CB-CG1 4.31Å
262	L	97.3	Very high	95.9	Very high	13 Å²	13	62.8 Å²	62.8	7%	0.068	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.6	-19.6	174.7	-83.4	67.6	0	0	0	112.9	I241 L244 V259 G260 F275 A292 T295 H296	I241-L262 HydrophobicContact CD1-CD1 3.76Å; L244-L262 HydrophobicContact CD1-CD1 3.84Å; L244-L262 HydrophobicContact CD2-CD1 4.22Å; L244-L262 HydrophobicContact CD2-CD2 3.66Å; V259-L262 PolarHBondContact O-N 2.86Å; G260-L262 PolarHBondContact O-N 3.27Å; G260-L262 VanDerWaalsContact O-N 3.16Å; L262-F275 HydrophobicContact CD1-CD1 4.08Å; L262-F275 HydrophobicContact CD1-CE1 4.5Å; L262-F275 HydrophobicContact CD1-CG 4.41Å; L262-F275 HydrophobicContact CD2-CD1 4.22Å; L262-F275 HydrophobicContact CD2-CE1 3.88Å; L262-F275 HydrophobicContact CD2-CE2 4.41Å; L262-F275 HydrophobicContact CD2-CZ 3.97Å; L262-F275 HydrophobicContact CG-CD1 3.97Å; L262-F275 HydrophobicContact CG-CE1 3.9Å; L262-F275 HydrophobicContact CG-CZ 4.5Å; L262-A292 HydrophobicContact CD2-CB 4.42Å; L262-T295 HydrophobicContact CB-CG2 3.93Å; L262-H296 HydrophobicContact CB-CB 4.05Å; L262-H296 HydrophobicContact CD2-CB 4.44Å; L262-H296 HydrophobicContact CG-CB 4.08Å
263	A	96.5	Very high	96	Very high	73 Å²	73	59.4 Å²	59.4	60%	0.603	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-137.2	20.7	-176.3	0	0	0	0	0	112.9	G260 L261 T295	G260-A263 CarbonylContact O-C 3.47Å; G260-A263 PolarHBondContact O-N 2.89Å; L261-A263 PolarHBondContact O-N 2.82Å; A263-T295 HydrophobicContact CB-CG2 4.03Å
264	S	96.6	Very high	96.1	Very high	16 Å²	16	54.3 Å²	54.3	11%	0.112	30%	0.304	C	S	.	.			trans	-81.9	129.8	-178.2	167.3	0	0	0	0	111.8	E231 G260 A266 V267	E231-S264 WeakPolarHBondContact OE1-CB 3.39Å; E231-S264 PolarHBondContact OE1-OG 3.38Å; G260-S264 PolarHBondContact O-N 2.68Å; G260-S264 VanDerWaalsContact O-N 3.12Å; S264-A266 PolarHBondContact O-N 2.79Å; S264-A266 WeakPolarHBondContact OG-CB 3.39Å; S264-A266 PolarHBondContact OG-N 2.8Å; S264-V267 PolarHBondContact O-N 2.77Å
265	D	94.7	Very high	96.2	Very high	172 Å²	172	45.1 Å²	45.1	92%	0.92	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.1	172.1	-66.7	-40.1	0	0	0	113	V267	D265-V267 VanDerWaalsContact C-N 3.33Å
266	A	95.8	Very high	96.3	Very high	35 Å²	35	42.3 Å²	42.3	29%	0.289	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7	177.4	0	0	0	0	0	113	E231 S264 P268	E231-A266 HydrophobicContact CB-CB 4.15Å; E231-A266 HydrophobicContact CG-CB 3.86Å; S264-A266 PolarHBondContact O-N 2.79Å; S264-A266 WeakPolarHBondContact OG-CB 3.39Å; S264-A266 PolarHBondContact OG-N 2.8Å; A266-P268 WeakPolarHBondContact O-CD 3.27Å
267	V	94.5	Very high	96.3	Very high	30 Å²	30	41.1 Å²	41.1	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-67	124.7	171.4	178.7	0	0	0	0	108.8	V234 S264 D265 H269 R271 V273	V234-V267 HydrophobicContact CG1-CG1 4.23Å; V234-V267 HydrophobicContact CG1-CG2 4.33Å; S264-V267 PolarHBondContact O-N 2.77Å; D265-V267 VanDerWaalsContact C-N 3.33Å; V267-H269 PolarHBondContact O-N 3.44Å; V267-R271 HydrophobicContact CG1-CB 4.36Å; V267-R271 VanDerWaalsContact CG1-O 3.23Å; V267-R271 WeakPolarHBondContact CG1-O 3.3Å; V267-V273 HydrophobicContact CG1-CG2 3.84Å; V267-V273 HydrophobicContact CG2-CG2 3.88Å
268	P	92.5	Very high	96.3	Very high	44 Å²	44	41.1 Å²	41.1	29%	0.286	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-56	139.6	-179.2	-27.8	35.9	0	0	0	112.9	A266 G270 R271	A266-P268 WeakPolarHBondContact O-CD 3.27Å; P268-G270 PolarHBondContact O-N 2.85Å; P268-R271 HydrophobicContact CB-CB 4.27Å; P268-R271 VanDerWaalsContact O-CB 3.25Å; P268-R271 WeakPolarHBondContact O-CB 3.14Å; P268-R271 PolarHBondContact O-N 3.41Å
269	H	90.7	Very high	96.2	Very high	202 Å²	202	41 Å²	41	94%	0.935	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.4	179.1	-170.4	73.7	0	0	0	111.7	V267 R271	V267-H269 PolarHBondContact O-N 3.44Å; H269-R271 VanDerWaalsContact C-N 3.25Å; H269-R271 PolarHBondContact O-N 2.98Å
270	G	91	Very high	96	Very high	80 Å²	80	40.8 Å²	40.8	83%	0.825	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	3.7	-176.8	0	0	0	0	0	115	P268	P268-G270 PolarHBondContact O-N 2.85Å
271	R	93.5	Very high	95.4	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.366	26%	0.26	S	S	.	.			trans	-101.3	117	172.9	-171.4	169.1	-65.1	169.8	2.2	110.2	V234 T239 V267 P268 H269	V234-R271 PolarHBondContact O-NH1 3.48Å; T239-R271 HydrophobicContact CG2-CG 4.25Å; V267-R271 HydrophobicContact CG1-CB 4.36Å; V267-R271 VanDerWaalsContact CG1-O 3.23Å; V267-R271 WeakPolarHBondContact CG1-O 3.3Å; P268-R271 HydrophobicContact CB-CB 4.27Å; P268-R271 VanDerWaalsContact O-CB 3.25Å; P268-R271 WeakPolarHBondContact O-CB 3.14Å; P268-R271 PolarHBondContact O-N 3.41Å; H269-R271 VanDerWaalsContact C-N 3.25Å; H269-R271 PolarHBondContact O-N 2.98Å
272	T	97.1	Very high	94.9	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.202	27%	0.269	C	S	.	.			trans	-81.4	131.6	170.5	-53.7	0	0	0	0	109.6	Y274 Q298	T272-Y274 HydrophobicContact CG2-CD1 4.03Å; T272-Y274 HydrophobicContact CG2-CD2 4.26Å; T272-Y274 HydrophobicContact CG2-CE1 3.79Å; T272-Y274 HydrophobicContact CG2-CE2 4.03Å; T272-Y274 HydrophobicContact CG2-CG 4.25Å; T272-Q298 HydrophobicContact CG2-CB 4.45Å
273	V	98.2	Very high	94.3	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	28%	0.275	C	S	.	.			trans	-94.3	101.8	165.5	178	0	0	0	0	107.1	V234 I241 L261 V267 H296	V234-V273 HydrophobicContact CG1-CG2 3.99Å; V234-V273 HydrophobicContact CG2-CG2 3.99Å; I241-V273 HydrophobicContact CD1-CG1 3.97Å; I241-V273 HydrophobicContact CG1-CG1 4.03Å; L261-V273 HydrophobicContact CB-CG1 4.31Å; V267-V273 HydrophobicContact CG1-CG2 3.84Å; V267-V273 HydrophobicContact CG2-CG2 3.88Å; V273-H296 PolarHBondContact O-CD2 2.82Å; V273-H296 PolarHBondContact O-NE2 3.2Å
274	Y	98.8	Very high	94.1	Very high	26 Å²	26	41.8 Å²	41.8	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	158.1	175.3	-60.9	-85	0	0	0	110.9	T239 L240 I241 T272 G299 I301 Q374 C375	T239-Y274 PolarHBondContact O-N 2.94Å; L240-Y274 CarbonylContact C-O 3.51Å; L240-Y274 VanDerWaalsContact CA-O 3.29Å; L240-Y274 WeakPolarHBondContact CA-O 3.46Å; I241-Y274 PolarHBondContact N-O 2.91Å; T272-Y274 HydrophobicContact CG2-CD1 4.03Å; T272-Y274 HydrophobicContact CG2-CD2 4.26Å; T272-Y274 HydrophobicContact CG2-CE1 3.79Å; T272-Y274 HydrophobicContact CG2-CE2 4.03Å; T272-Y274 HydrophobicContact CG2-CG 4.25Å; Y274-G299 CarbonylContact C-O 3.6Å; Y274-G299 WeakPolarHBondContact CA-O 3.35Å; Y274-I301 HydrophobicContact CD1-CD1 3.9Å; Y274-I301 HydrophobicContact CD1-CG1 4.19Å; Y274-I301 HydrophobicContact CG-CD1 3.99Å; Y274-Q374 HydrophobicContact CE1-CB 4.3Å; Y274-Q374 VanDerWaalsContact OH-CB 3.27Å; Y274-Q374 WeakPolarHBondContact OH-CB 3.5Å; Y274-C375 HydrophobicContact CD1-CB 4.06Å; Y274-C375 HydrophobicContact CD2-CB 3.72Å; Y274-C375 HydrophobicContact CE1-CB 4.36Å; Y274-C375 HydrophobicContact CE2-CB 4.04Å; Y274-C375 HydrophobicContact CG-CB 3.73Å
275	F	98.9	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	127.1	173.9	57.3	-88.2	0	0	0	110.6	I241 L244 L262 A292 H296 G299 L300 I301	I241-F275 HydrophobicContact CB-CB 3.85Å; I241-F275 HydrophobicContact CD1-CB 4.45Å; I241-F275 CarbonylContact O-C 3.54Å; I241-F275 WeakPolarHBondContact O-CA 3.49Å; L244-F275 HydrophobicContact CB-CB 4.27Å; L244-F275 HydrophobicContact CB-CD2 4.06Å; L244-F275 HydrophobicContact CD2-CD2 3.53Å; L244-F275 HydrophobicContact CD2-CE2 3.82Å; L244-F275 HydrophobicContact CD2-CG 4.08Å; L244-F275 HydrophobicContact CG-CD2 4.35Å; L262-F275 HydrophobicContact CD1-CD1 4.08Å; L262-F275 HydrophobicContact CD1-CE1 4.5Å; L262-F275 HydrophobicContact CD1-CG 4.41Å; L262-F275 HydrophobicContact CD2-CD1 4.22Å; L262-F275 HydrophobicContact CD2-CE1 3.88Å; L262-F275 HydrophobicContact CD2-CE2 4.41Å; L262-F275 HydrophobicContact CD2-CZ 3.97Å; L262-F275 HydrophobicContact CG-CD1 3.97Å; L262-F275 HydrophobicContact CG-CE1 3.9Å; L262-F275 HydrophobicContact CG-CZ 4.5Å; F275-A292 HydrophobicContact CE2-CB 3.86Å; F275-A292 HydrophobicContact CZ-CB 4.25Å; F275-H296 HydrophobicContact CE1-CB 3.96Å; F275-H296 AromaticContact CE1-CD2 3.82Å; F275-H296 VanDerWaalsContact CE1-O 3.25Å; F275-H296 WeakPolarHBondContact CE1-O 3.21Å; F275-H296 WeakPolarHBondContact CZ-O 3.27Å; F275-G299 PolarHBondContact N-O 3.26Å; F275-L300 HydrophobicContact CE1-CB 4.3Å; F275-L300 HydrophobicContact CE2-CB 3.77Å; F275-L300 HydrophobicContact CE2-CD1 3.84Å; F275-L300 HydrophobicContact CE2-CG 3.64Å; F275-L300 HydrophobicContact CZ-CB 3.57Å; F275-L300 HydrophobicContact CZ-CD1 4.05Å; F275-L300 HydrophobicContact CZ-CG 3.95Å; F275-I301 PolarHBondContact O-N 3.5Å
276	G	98.7	Very high	94.1	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.2	168.1	0	0	0	0	0	109.7	I241 H243 L244 I301	I241-G276 PolarHBondContact O-N 2.88Å; H243-G276 CarbonylContact C-O 3.54Å; H243-G276 VanDerWaalsContact CA-O 3.27Å; H243-G276 WeakPolarHBondContact CA-O 3.41Å; L244-G276 PolarHBondContact N-O 2.92Å; G276-I301 CarbonylContact C-O 3.4Å; G276-I301 VanDerWaalsContact CA-O 3.31Å; G276-I301 WeakPolarHBondContact CA-O 3.44Å
277	I	98.2	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.6	172.5	-161.4	165.6	0	0	0	110.3	L244 F245 T284 L289 A292 L300 I301 L302 V303	L244-I277 HydrophobicContact CD2-CD1 4.46Å; F245-I277 HydrophobicContact CD2-CD1 4.36Å; F245-I277 HydrophobicContact CE2-CD1 4.01Å; I277-T284 HydrophobicContact CD1-CG2 4.15Å; I277-T284 HydrophobicContact CG1-CG2 4.26Å; I277-L289 HydrophobicContact CD1-CD2 3.63Å; I277-L289 HydrophobicContact CG1-CD2 3.82Å; I277-A292 HydrophobicContact CD1-CB 3.8Å; I277-L300 HydrophobicContact CG2-CD1 4.32Å; I277-L300 HydrophobicContact CG2-CD2 3.97Å; I277-L300 HydrophobicContact CG2-CG 3.99Å; I277-I301 PolarHBondContact N-O 2.91Å; I277-L302 HydrophobicContact CG2-CD2 3.91Å; I277-V303 PolarHBondContact O-N 3.43Å
278	I	97.1	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.5	-180	-55.6	161.3	0	0	0	108.2	H243 D280 H283 T284 V303 D305	H243-I278 HydrophobicContact CB-CD1 3.83Å; H243-I278 HydrophobicContact CB-CG1 4.2Å; I278-D280 HydrophobicContact CG2-CB 4.24Å; I278-H283 HydrophobicContact CB-CB 4.12Å; I278-H283 HydrophobicContact CD1-CB 4.4Å; I278-H283 HydrophobicContact CG2-CB 3.97Å; I278-T284 WeakPolarHBondContact O-CB 3.35Å; I278-T284 PolarHBondContact O-OG1 2.77Å; I278-V303 HydrophobicContact CG1-CG2 4.16Å; I278-D305 HydrophobicContact CD1-CB 3.46Å; I278-D305 VanDerWaalsContact CD1-CB 3.46Å; I278-D305 HydrophobicContact CG1-CB 3.75Å
279	S	96.8	Very high	94.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.			trans	-111.5	49.9	-176.5	63.9	0	0	0	0	112.7	G281 L302 C349 I352	S279-G281 VanDerWaalsContact C-N 3.34Å; S279-L302 WeakPolarHBondContact OG-CD2 3.3Å; S279-C349 VanDerWaalsContact OG-C 3.32Å; S279-C349 WeakPolarHBondContact OG-CA 3.26Å; S279-C349 WeakPolarHBondContact OG-CB 3.31Å; S279-C349 PolarHBondContact OG-O 2.83Å; S279-I352 WeakPolarHBondContact O-CB 3.39Å; S279-I352 WeakPolarHBondContact O-CG2 3.39Å
280	D	93.3	Very high	95	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	20%	0.196	C	C	.	.	S	Bend	trans	-88	-0.1	179.6	64.8	-2.6	0	0	0	114.1	I278 V282 H283 S342 A344	I278-D280 HydrophobicContact CG2-CB 4.24Å; D280-V282 PolarHBondContact O-N 3.12Å; D280-V282 WeakPolarHBondContact OD1-CA 3.45Å; D280-V282 WeakPolarHBondContact OD1-CB 3.17Å; D280-V282 PolarHBondContact OD1-N 3.47Å; D280-H283 PolarHBondContact OD1-N 3.17Å; D280-H283 IonicContact OD1-ND1 3.12Å; D280-H283 IonicContact OD2-CE1 2.78Å; D280-H283 IonicContact OD2-CG 3.6Å; D280-H283 IonicContact OD2-ND1 3.26Å; D280-H283 PolarHBondContact OD2-ND1 3.34Å; D280-S342 VanDerWaalsContact CB-OG 3.3Å; D280-S342 WeakPolarHBondContact CB-OG 3.47Å; D280-S342 PolarHBondContact OD2-OG 2.67Å; D280-A344 HydrophobicContact CB-CB 3.44Å; D280-A344 VanDerWaalsContact CB-CB 3.44Å
281	G	85.7	Confident	95.3	Very high	42 Å²	42	33.8 Å²	33.8	43%	0.433	18%	0.182	S	C	.	.	S	Bend	trans	76.6	10.2	-175.5	0	0	0	0	0	114	S279	S279-G281 VanDerWaalsContact C-N 3.34Å
282	V	86.1	Confident	95.5	Very high	33 Å²	33	29.2 Å²	29.2	20%	0.2	17%	0.165	C	C	.	.	S	Bend	trans	-125.2	-60.1	-175.2	-172.7	0	0	0	0	110.9	D280 K330 L339	D280-V282 PolarHBondContact O-N 3.12Å; D280-V282 WeakPolarHBondContact OD1-CA 3.45Å; D280-V282 WeakPolarHBondContact OD1-CB 3.17Å; D280-V282 PolarHBondContact OD1-N 3.47Å; V282-K330 HydrophobicContact CG1-CD 3.71Å; V282-K330 HydrophobicContact CG1-CG 4.15Å; V282-K330 HydrophobicContact CG2-CD 3.94Å; V282-K330 HydrophobicContact CG2-CG 3.85Å; V282-L339 HydrophobicContact CG1-CD1 3.54Å; V282-L339 HydrophobicContact CG1-CD2 3.48Å; V282-L339 VanDerWaalsContact CG1-CD2 3.48Å; V282-L339 HydrophobicContact CG1-CG 4.15Å
283	H	85.5	Confident	95.6	Very high	43 Å²	43	30.1 Å²	30.1	20%	0.199	17%	0.165	C	C	.	.	S	Bend	trans	-69.8	-40.8	-176.9	-74.3	78.1	0	0	0	111.6	I278 D280 G341	I278-H283 HydrophobicContact CB-CB 4.12Å; I278-H283 HydrophobicContact CD1-CB 4.4Å; I278-H283 HydrophobicContact CG2-CB 3.97Å; D280-H283 PolarHBondContact OD1-N 3.17Å; D280-H283 IonicContact OD1-ND1 3.12Å; D280-H283 IonicContact OD2-CE1 2.78Å; D280-H283 IonicContact OD2-CG 3.6Å; D280-H283 IonicContact OD2-ND1 3.26Å; D280-H283 PolarHBondContact OD2-ND1 3.34Å; H283-G341 VanDerWaalsContact CE1-C 3.4Å; H283-G341 PolarHBondContact CE1-O 3.44Å
284	T	92.3	Very high	95.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-117.1	117	-178.4	-46.9	0	0	0	0	110.8	F245 I277 I278 A288 L289	F245-T284 HydrophobicContact CD2-CG2 4.06Å; F245-T284 HydrophobicContact CE2-CG2 4.41Å; I277-T284 HydrophobicContact CD1-CG2 4.15Å; I277-T284 HydrophobicContact CG1-CG2 4.26Å; I278-T284 WeakPolarHBondContact O-CB 3.35Å; I278-T284 PolarHBondContact O-OG1 2.77Å; T284-A288 HydrophobicContact CG2-CB 3.74Å; T284-L289 HydrophobicContact CG2-CD2 3.54Å; T284-L289 HydrophobicContact CG2-CG 3.85Å
285	H	95.2	Very high	95.5	Very high	130 Å²	130	40.1 Å²	40.1	60%	0.602	21%	0.21	S	C	*	.			trans	-59.1	140.3	174.8	-173.6	-93.1	0	0	0	110.5	A287 A288 L289	H285-A287 VanDerWaalsContact ND1-CB 3.31Å; H285-A287 WeakPolarHBondContact ND1-CB 3.47Å; H285-A287 PolarHBondContact ND1-N 2.94Å; H285-A287 VanDerWaalsContact ND1-N 3.13Å; H285-A287 PolarHBondContact O-N 2.84Å; H285-A288 WeakPolarHBondContact O-CA 3.42Å; H285-A288 WeakPolarHBondContact O-CB 3.12Å; H285-A288 PolarHBondContact O-N 3.02Å; H285-L289 PolarHBondContact O-N 2.92Å
286	P	96.8	Very high	95.4	Very high	46 Å²	46	41.8 Å²	41.8	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-53.6	-30.6	-178.7	-31.5	37	0	0	0	115.1	R290 A356	P286-R290 PolarHBondContact O-N 3.47Å; P286-R290 VanDerWaalsContact O-N 3.13Å; P286-R290 PolarHBondContact O-NH1 2.95Å; P286-A356 HydrophobicContact CB-CB 3.97Å
287	A	97.3	Very high	95.4	Very high	32 Å²	32	44 Å²	44	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-37.6	174.3	0	0	0	0	0	112.8	H285 R290 I291	H285-A287 VanDerWaalsContact ND1-CB 3.31Å; H285-A287 WeakPolarHBondContact ND1-CB 3.47Å; H285-A287 PolarHBondContact ND1-N 2.94Å; H285-A287 VanDerWaalsContact ND1-N 3.13Å; H285-A287 PolarHBondContact O-N 2.84Å; A287-R290 PolarHBondContact O-N 3.17Å; A287-I291 VanDerWaalsContact O-CG1 3.3Å; A287-I291 WeakPolarHBondContact O-CG1 3.36Å; A287-I291 PolarHBondContact O-N 3.18Å
288	A	97.3	Very high	95.3	Very high	24 Å²	24	50.3 Å²	50.3	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-38.9	176.2	0	0	0	0	0	111.2	F245 T284 H285 R290 I291 A292	F245-A288 HydrophobicContact CD2-CB 4.14Å; F245-A288 HydrophobicContact CE2-CB 3.82Å; F245-A288 HydrophobicContact CZ-CB 4.34Å; T284-A288 HydrophobicContact CG2-CB 3.74Å; H285-A288 WeakPolarHBondContact O-CA 3.42Å; H285-A288 WeakPolarHBondContact O-CB 3.12Å; H285-A288 PolarHBondContact O-N 3.02Å; A288-R290 VanDerWaalsContact C-N 3.3Å; A288-R290 PolarHBondContact O-N 3.22Å; A288-I291 PolarHBondContact O-N 2.76Å; A288-A292 PolarHBondContact O-N 2.97Å
289	L	98.1	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-45.9	170.8	-63.3	179	0	0	0	111.4	I277 T284 H285 Y293 F353 A356 T357	I277-L289 HydrophobicContact CD1-CD2 3.63Å; I277-L289 HydrophobicContact CG1-CD2 3.82Å; T284-L289 HydrophobicContact CG2-CD2 3.54Å; T284-L289 HydrophobicContact CG2-CG 3.85Å; H285-L289 PolarHBondContact O-N 2.92Å; L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.16Å; L289-Y293 PolarHBondContact O-N 3.36Å; L289-F353 HydrophobicContact CB-CD2 4.46Å; L289-F353 HydrophobicContact CD2-CD2 4.34Å; L289-A356 HydrophobicContact CD1-CB 3.79Å; L289-T357 HydrophobicContact CB-CG2 4.09Å
290	R	98.2	Very high	95.4	Very high	75 Å²	75	50.3 Å²	50.3	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-40.2	176.7	-76.3	-174.9	-62.1	-90.1	5.7	113.2	P286 A287 A288 R294 A356 T357	P286-R290 PolarHBondContact O-N 3.47Å; P286-R290 VanDerWaalsContact O-N 3.13Å; P286-R290 PolarHBondContact O-NH1 2.95Å; A287-R290 PolarHBondContact O-N 3.17Å; A288-R290 VanDerWaalsContact C-N 3.3Å; A288-R290 PolarHBondContact O-N 3.22Å; R290-R294 WeakPolarHBondContact O-CB 3.35Å; R290-R294 WeakPolarHBondContact O-CD 3.49Å; R290-R294 VanDerWaalsContact O-CG 3.23Å; R290-R294 WeakPolarHBondContact O-CG 3.36Å; R290-R294 PolarHBondContact O-N 3.33Å; R290-A356 VanDerWaalsContact CD-O 3.29Å; R290-A356 WeakPolarHBondContact CD-O 3.41Å; R290-A356 VanDerWaalsContact CG-O 3.25Å; R290-A356 WeakPolarHBondContact CG-O 3.2Å; R290-A356 PolarHBondContact NH1-O 2.9Å; R290-T357 HydrophobicContact CG-CG2 4.2Å
291	I	97.8	Very high	95.7	Very high	105 Å²	105	49.6 Å²	49.6	54%	0.538	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-51.2	178	-71.5	164.1	0	0	0	109.6	A287 A288 Y293 R294 T295	A287-I291 VanDerWaalsContact O-CG1 3.3Å; A287-I291 WeakPolarHBondContact O-CG1 3.36Å; A287-I291 PolarHBondContact O-N 3.18Å; A288-I291 PolarHBondContact O-N 2.76Å; I291-Y293 PolarHBondContact O-N 2.96Å; I291-R294 PolarHBondContact O-N 3.02Å; I291-T295 WeakPolarHBondContact O-CB 3.14Å; I291-T295 PolarHBondContact O-N 2.85Å; I291-T295 PolarHBondContact O-OG1 3.41Å
292	A	98	Very high	96.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-50.6	179.5	0	0	0	0	0	111.6	L244 F245 L262 F275 I277 A288 R294 T295 H296	L244-A292 HydrophobicContact CD2-CB 3.77Å; F245-A292 HydrophobicContact CE2-CB 4.12Å; F245-A292 HydrophobicContact CZ-CB 4.19Å; L262-A292 HydrophobicContact CD2-CB 4.42Å; F275-A292 HydrophobicContact CE2-CB 3.86Å; F275-A292 HydrophobicContact CZ-CB 4.25Å; I277-A292 HydrophobicContact CD1-CB 3.8Å; A288-A292 PolarHBondContact O-N 2.97Å; A292-R294 PolarHBondContact O-N 2.86Å; A292-T295 PolarHBondContact O-N 2.96Å; A292-H296 PolarHBondContact O-N 3.04Å
293	Y	98.4	Very high	96.9	Very high	51 Å²	51	46.2 Å²	46.2	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-46.1	178.1	169.4	-127.5	0	0	0	112.9	L289 I291 T295 P297 F353 T357 C359 Y363	L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.16Å; L289-Y293 PolarHBondContact O-N 3.36Å; I291-Y293 PolarHBondContact O-N 2.96Å; Y293-T295 VanDerWaalsContact C-N 3.34Å; Y293-P297 HydrophobicContact CD2-CB 3.97Å; Y293-P297 HydrophobicContact CE2-CB 3.9Å; Y293-P297 WeakPolarHBondContact O-CA 3.32Å; Y293-P297 WeakPolarHBondContact O-CB 3.39Å; Y293-P297 VanDerWaalsContact O-CD 3.27Å; Y293-P297 WeakPolarHBondContact O-CD 3.39Å; Y293-F353 HydrophobicContact CD2-CZ 4.27Å; Y293-F353 HydrophobicContact CG-CZ 4.18Å; Y293-T357 HydrophobicContact CD1-CG2 4.2Å; Y293-T357 HydrophobicContact CG-CG2 4.39Å; Y293-C359 HydrophobicContact CE1-CB 3.74Å; Y293-C359 HydrophobicContact CE2-CB 4.13Å; Y293-C359 WeakPolarHBondContact OH-CB 3.34Å; Y293-Y363 HydrophobicContact CD2-CD1 4.28Å; Y293-Y363 AromaticContact CD2-CE1 3.47Å; Y293-Y363 HydrophobicContact CD2-CE1 3.47Å; Y293-Y363 VanDerWaalsContact CD2-CE1 3.47Å; Y293-Y363 HydrophobicContact CD2-CE2 4.28Å; Y293-Y363 AromaticContact CD2-CZ 3.45Å; Y293-Y363 VanDerWaalsContact CD2-CZ 3.45Å; Y293-Y363 WeakPolarHBondContact CD2-OH 3.33Å; Y293-Y363 AromaticContact CE2-CD1 3.74Å; Y293-Y363 HydrophobicContact CE2-CD1 3.74Å; Y293-Y363 HydrophobicContact CE2-CD2 4.13Å; Y293-Y363 AromaticContact CE2-CE1 3.33Å; Y293-Y363 HydrophobicContact CE2-CE1 3.33Å; Y293-Y363 AromaticContact CE2-CE2 3.71Å; Y293-Y363 HydrophobicContact CE2-CE2 3.71Å; Y293-Y363 HydrophobicContact CE2-CG 4.13Å; Y293-Y363 AromaticContact CE2-CZ 3.29Å
294	R	98.1	Very high	97.5	Very high	173 Å²	173	44.2 Å²	44.2	65%	0.653	22%	0.219	S	C	*	.	H	α-helix	trans	-74.4	-26.2	-178	-70.6	171.9	-177.6	157.6	-0.7	113.3	R290 I291 A292	R290-R294 WeakPolarHBondContact O-CB 3.35Å; R290-R294 WeakPolarHBondContact O-CD 3.49Å; R290-R294 VanDerWaalsContact O-CG 3.23Å; R290-R294 WeakPolarHBondContact O-CG 3.36Å; R290-R294 PolarHBondContact O-N 3.33Å; I291-R294 PolarHBondContact O-N 3.02Å; A292-R294 PolarHBondContact O-N 2.86Å
295	T	97.4	Very high	97.7	Very high	68 Å²	68	45 Å²	45	42%	0.417	22%	0.223	S	C	.	.	H	α-helix	trans	-78.2	-48.8	-178.8	-54.3	0	0	0	0	110.5	L262 A263 I291 A292 Y293	L262-T295 HydrophobicContact CB-CG2 3.93Å; A263-T295 HydrophobicContact CB-CG2 4.03Å; I291-T295 WeakPolarHBondContact O-CB 3.14Å; I291-T295 PolarHBondContact O-N 2.85Å; I291-T295 PolarHBondContact O-OG1 3.41Å; A292-T295 PolarHBondContact O-N 2.96Å; Y293-T295 VanDerWaalsContact C-N 3.34Å
296	H	97.7	Very high	97.7	Very high	34 Å²	34	38.8 Å²	38.8	16%	0.157	20%	0.195	C	C	.	.			trans	-145.2	76.2	-176.7	-170.5	44.5	0	0	0	112.1	L262 V273 F275 A292 Q298 G299	L262-H296 HydrophobicContact CB-CB 4.05Å; L262-H296 HydrophobicContact CD2-CB 4.44Å; L262-H296 HydrophobicContact CG-CB 4.08Å; V273-H296 PolarHBondContact O-CD2 2.82Å; V273-H296 PolarHBondContact O-NE2 3.2Å; F275-H296 HydrophobicContact CE1-CB 3.96Å; F275-H296 AromaticContact CE1-CD2 3.82Å; F275-H296 VanDerWaalsContact CE1-O 3.25Å; F275-H296 WeakPolarHBondContact CE1-O 3.21Å; F275-H296 WeakPolarHBondContact CZ-O 3.27Å; A292-H296 PolarHBondContact O-N 3.04Å; H296-Q298 VanDerWaalsContact C-N 3.32Å; H296-Q298 PolarHBondContact O-N 3.17Å; H296-G299 PolarHBondContact NE2-N 2.92Å; H296-G299 PolarHBondContact O-N 3.4Å
297	P	97.9	Very high	97.6	Very high	49 Å²	49	36.7 Å²	36.7	32%	0.318	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-64.2	-36	-176	23.3	-32	0	0	0	112.8	Y293 G299 L300 Y363	Y293-P297 HydrophobicContact CD2-CB 3.97Å; Y293-P297 HydrophobicContact CE2-CB 3.9Å; Y293-P297 WeakPolarHBondContact O-CA 3.32Å; Y293-P297 WeakPolarHBondContact O-CB 3.39Å; Y293-P297 VanDerWaalsContact O-CD 3.27Å; Y293-P297 WeakPolarHBondContact O-CD 3.39Å; P297-G299 PolarHBondContact O-N 2.96Å; P297-L300 PolarHBondContact O-N 2.8Å; P297-Y363 VanDerWaalsContact C-OH 3.29Å; P297-Y363 WeakPolarHBondContact CA-OH 3.43Å; P297-Y363 HydrophobicContact CB-CE2 3.8Å; P297-Y363 WeakPolarHBondContact CB-OH 3.49Å; P297-Y363 PolarHBondContact O-OH 2.94Å
298	Q	96.2	Very high	97.5	Very high	132 Å²	132	35.4 Å²	35.4	62%	0.617	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-65.5	-23.2	-177.9	-67.2	-180	-11.5	0	0	113.9	T272 H296	T272-Q298 HydrophobicContact CG2-CB 4.45Å; H296-Q298 VanDerWaalsContact C-N 3.32Å; H296-Q298 PolarHBondContact O-N 3.17Å
299	G	98.1	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-91.9	-9.4	179.4	0	0	0	0	0	114.4	Y274 F275 H296 P297 I301	Y274-G299 CarbonylContact C-O 3.6Å; Y274-G299 WeakPolarHBondContact CA-O 3.35Å; F275-G299 PolarHBondContact N-O 3.26Å; H296-G299 PolarHBondContact NE2-N 2.92Å; H296-G299 PolarHBondContact O-N 3.4Å; P297-G299 PolarHBondContact O-N 2.96Å; G299-I301 PolarHBondContact O-N 3.11Å
300	L	98.8	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.5	-169.1	-168.5	150.8	0	0	0	112	F275 I277 P297 L302 F353 Y363 A367 H371	F275-L300 HydrophobicContact CE1-CB 4.3Å; F275-L300 HydrophobicContact CE2-CB 3.77Å; F275-L300 HydrophobicContact CE2-CD1 3.84Å; F275-L300 HydrophobicContact CE2-CG 3.64Å; F275-L300 HydrophobicContact CZ-CB 3.57Å; F275-L300 HydrophobicContact CZ-CD1 4.05Å; F275-L300 HydrophobicContact CZ-CG 3.95Å; I277-L300 HydrophobicContact CG2-CD1 4.32Å; I277-L300 HydrophobicContact CG2-CD2 3.97Å; I277-L300 HydrophobicContact CG2-CG 3.99Å; P297-L300 PolarHBondContact O-N 2.8Å; L300-L302 HydrophobicContact CD2-CD2 3.95Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L300-F353 HydrophobicContact CD1-CE2 3.6Å; L300-F353 HydrophobicContact CD1-CZ 3.58Å; L300-F353 HydrophobicContact CD2-CE1 4.35Å; L300-F353 HydrophobicContact CD2-CE2 4.01Å; L300-F353 HydrophobicContact CD2-CZ 3.84Å; L300-F353 HydrophobicContact CG-CE2 4.48Å; L300-F353 HydrophobicContact CG-CZ 4.4Å; L300-Y363 WeakPolarHBondContact CB-OH 3.32Å; L300-A367 HydrophobicContact CD2-CB 3.73Å; L300-H371 WeakPolarHBondContact O-CB 3.45Å; L300-H371 PolarHBondContact O-ND1 3.14Å
301	I	98.9	Very high	96.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.2	173.2	-62.1	171.7	0	0	0	108.8	L84 L240 Y274 F275 G276 I277 G299 V303 A367 H371 P372 C375	L84-I301 HydrophobicContact CD1-CD1 3.95Å; L84-I301 HydrophobicContact CD1-CG2 4.23Å; L84-I301 HydrophobicContact CG-CG2 4.49Å; L240-I301 HydrophobicContact CD1-CD1 4.16Å; Y274-I301 HydrophobicContact CD1-CD1 3.9Å; Y274-I301 HydrophobicContact CD1-CG1 4.19Å; Y274-I301 HydrophobicContact CG-CD1 3.99Å; F275-I301 PolarHBondContact O-N 3.5Å; G276-I301 CarbonylContact C-O 3.4Å; G276-I301 VanDerWaalsContact CA-O 3.31Å; G276-I301 WeakPolarHBondContact CA-O 3.44Å; I277-I301 PolarHBondContact N-O 2.91Å; G299-I301 PolarHBondContact O-N 3.11Å; I301-V303 HydrophobicContact CG2-CG1 4.05Å; I301-A367 WeakPolarHBondContact CA-O 3.22Å; I301-H371 HydrophobicContact CG1-CB 3.94Å; I301-P372 HydrophobicContact CG2-CB 3.83Å; I301-P372 HydrophobicContact CG2-CG 4.19Å; I301-C375 HydrophobicContact CD1-CB 3.57Å
302	L	98.8	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.3	167.9	-63.3	-178.6	0	0	0	109.1	I277 S279 L300 M346 V350 F353 A367 A368	I277-L302 HydrophobicContact CG2-CD2 3.91Å; S279-L302 WeakPolarHBondContact OG-CD2 3.3Å; L300-L302 HydrophobicContact CD2-CD2 3.95Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L302-M346 HydrophobicContact CB-SD 4.11Å; L302-M346 WeakPolarHBondContact O-CE 3.32Å; L302-V350 HydrophobicContact CD1-CB 4.36Å; L302-V350 HydrophobicContact CD1-CG2 3.85Å; L302-F353 HydrophobicContact CD1-CB 4.06Å; L302-F353 HydrophobicContact CD1-CD1 4.32Å; L302-F353 HydrophobicContact CD1-CG 4.25Å; L302-F353 HydrophobicContact CD2-CB 3.99Å; L302-F353 HydrophobicContact CD2-CD1 4.41Å; L302-F353 HydrophobicContact CD2-CD2 3.91Å; L302-F353 HydrophobicContact CD2-CG 3.82Å; L302-A367 HydrophobicContact CD1-CB 4.26Å; L302-A367 HydrophobicContact CG-CB 3.98Å; L302-A367 PolarHBondContact N-O 2.83Å; L302-A368 HydrophobicContact CB-CB 4.31Å; L302-A368 HydrophobicContact CD1-CB 4.4Å
303	V	98.6	Very high	96.4	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.1	171.5	-64.4	0	0	0	0	108.6	L84 Q85 I277 I278 I301	L84-V303 HydrophobicContact CB-CG1 4.19Å; Q85-V303 HydrophobicContact CB-CB 3.97Å; Q85-V303 HydrophobicContact CB-CG1 4.06Å; Q85-V303 HydrophobicContact CB-CG2 4.35Å; I277-V303 PolarHBondContact O-N 3.43Å; I278-V303 HydrophobicContact CG1-CG2 4.16Å; I301-V303 HydrophobicContact CG2-CG1 4.05Å
304	T	97.8	Very high	96	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.221	C	C	.	.			trans	-82.6	-39.5	174.2	62.2	0	0	0	0	111.3	D83 Q85 A306 S342 M346	D83-T304 PolarHBondContact OD1-N 2.96Å; D83-T304 WeakPolarHBondContact OD2-CB 2.97Å; D83-T304 WeakPolarHBondContact OD2-CG2 3.29Å; D83-T304 PolarHBondContact OD2-OG1 3.03Å; Q85-T304 PolarHBondContact O-OG1 3.34Å; T304-A306 PolarHBondContact O-N 3.07Å; T304-A306 VanDerWaalsContact OG1-CB 3.29Å; T304-A306 WeakPolarHBondContact OG1-CB 3.3Å; T304-A306 PolarHBondContact OG1-N 2.9Å; T304-A306 VanDerWaalsContact OG1-N 3.12Å; T304-S342 WeakPolarHBondContact O-CB 3.37Å; T304-M346 HydrophobicContact CG2-CB 4.08Å; T304-M346 HydrophobicContact CG2-CE 4.05Å
305	D	95.6	Very high	95.7	Very high	19 Å²	19	36 Å²	36	10%	0.102	20%	0.203	C	C	.	.			trans	48.1	36.2	-161	-163.6	31.8	0	0	0	110.9	Q85 N87 H243 I278 S342	Q85-D305 HydrophobicContact CG-CB 4.3Å; Q85-D305 PolarHBondContact NE2-OD1 2.58Å; Q85-D305 VanDerWaalsContact O-CA 3.25Å; Q85-D305 WeakPolarHBondContact O-CA 3.38Å; Q85-D305 PolarHBondContact O-N 2.91Å; N87-D305 PolarHBondContact ND2-OD1 2.93Å; H243-D305 IonicContact CD2-OD2 2.78Å; I278-D305 HydrophobicContact CD1-CB 3.46Å; I278-D305 VanDerWaalsContact CD1-CB 3.46Å; I278-D305 HydrophobicContact CG1-CB 3.75Å; D305-S342 PolarHBondContact O-N 3.33Å
306	A	95.8	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-70.5	145	-174.8	0	0	0	0	0	111.2	I86 N87 G88 T304 L310 S342	I86-A306 HydrophobicContact CD1-CB 4.08Å; I86-A306 HydrophobicContact CG1-CB 4.02Å; N87-A306 WeakPolarHBondContact CA-O 3.23Å; N87-A306 WeakPolarHBondContact CB-O 3.17Å; N87-A306 PolarHBondContact N-O 3.07Å; G88-A306 PolarHBondContact N-O 2.93Å; T304-A306 PolarHBondContact O-N 3.07Å; T304-A306 VanDerWaalsContact OG1-CB 3.29Å; T304-A306 WeakPolarHBondContact OG1-CB 3.3Å; T304-A306 PolarHBondContact OG1-N 2.9Å; T304-A306 VanDerWaalsContact OG1-N 3.12Å; A306-L310 HydrophobicContact CB-CB 4.05Å; A306-L310 HydrophobicContact CB-CD2 3.79Å; A306-L310 HydrophobicContact CB-CG 4.32Å; A306-S342 VanDerWaalsContact CA-O 3.25Å; A306-S342 WeakPolarHBondContact CA-O 3.24Å
307	I	94.3	Very high	94.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	21%	0.212	C	C	.	.			trans	-107.7	176.5	178	56.4	153.4	0	0	0	111.1	N87 G88 G89 A309 L310 I319 L324 A331 C340 S342 I343	N87-I307 HydrophobicContact CB-CG2 4.46Å; G88-I307 CarbonylContact C-O 3.47Å; G89-I307 WeakPolarHBondContact CA-O 3.23Å; I307-A309 HydrophobicContact CD1-CB 4.07Å; I307-A309 HydrophobicContact CG1-CB 4.27Å; I307-A309 PolarHBondContact O-N 3.25Å; I307-L310 WeakPolarHBondContact O-CB 3.37Å; I307-L310 PolarHBondContact O-N 2.94Å; I307-I319 HydrophobicContact CB-CD1 4.08Å; I307-I319 HydrophobicContact CD1-CD1 4.31Å; I307-I319 HydrophobicContact CG2-CD1 3.54Å; I307-I319 HydrophobicContact CG2-CG1 4.46Å; I307-L324 HydrophobicContact CD1-CD1 3.35Å; I307-L324 HydrophobicContact CD1-CD2 4.03Å; I307-L324 HydrophobicContact CD1-CG 4.3Å; I307-A331 HydrophobicContact CD1-CB 3.94Å; I307-C340 WeakPolarHBondContact CD1-O 3.46Å; I307-S342 WeakPolarHBondContact CG1-O 3.38Å; I307-S342 PolarHBondContact N-O 3.09Å; I307-I343 HydrophobicContact CG1-CG2 4.17Å
308	S	94.6	Very high	94.2	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-30.7	177.7	58.1	0	0	0	0	114.9	G89 Y90 G91 V92 L310 H318	G89-S308 CarbonylContact C-O 3.35Å; Y90-S308 PolarHBondContact N-O 3.4Å; G91-S308 PolarHBondContact N-O 2.78Å; V92-S308 VanDerWaalsContact O-CA 3.24Å; V92-S308 WeakPolarHBondContact O-CA 3.25Å; V92-S308 WeakPolarHBondContact O-CB 3.25Å; S308-L310 VanDerWaalsContact C-N 3.3Å; S308-L310 PolarHBondContact O-N 2.87Å; S308-H318 PolarHBondContact OG-O 3.12Å
309	A	94.1	Very high	93.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11	179	0	0	0	0	0	115.5	I307 G311 L312 L324 V326 I343	I307-A309 HydrophobicContact CD1-CB 4.07Å; I307-A309 HydrophobicContact CG1-CB 4.27Å; I307-A309 PolarHBondContact O-N 3.25Å; A309-G311 PolarHBondContact O-N 2.91Å; A309-L312 WeakPolarHBondContact O-CB 3.37Å; A309-L312 PolarHBondContact O-N 3.27Å; A309-L312 VanDerWaalsContact O-N 3.07Å; A309-L324 HydrophobicContact CB-CD2 3.79Å; A309-V326 HydrophobicContact CB-CG2 3.64Å; A309-I343 HydrophobicContact CB-CG2 3.62Å
310	L	95.2	Very high	92.8	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	126	174.9	171.9	67.9	0	0	0	110.6	I86 Y90 L112 A306 I307 S308 L312 I343 P345	I86-L310 HydrophobicContact CD1-CD2 4.04Å; Y90-L310 WeakPolarHBondContact CA-O 3.36Å; Y90-L310 HydrophobicContact CE2-CD2 4.35Å; Y90-L310 PolarHBondContact N-O 3.32Å; L112-L310 HydrophobicContact CD2-CD2 4.19Å; A306-L310 HydrophobicContact CB-CB 4.05Å; A306-L310 HydrophobicContact CB-CD2 3.79Å; A306-L310 HydrophobicContact CB-CG 4.32Å; I307-L310 WeakPolarHBondContact O-CB 3.37Å; I307-L310 PolarHBondContact O-N 2.94Å; S308-L310 VanDerWaalsContact C-N 3.3Å; S308-L310 PolarHBondContact O-N 2.87Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.14Å; L310-I343 VanDerWaalsContact CD1-O 3.26Å; L310-I343 WeakPolarHBondContact CD1-O 3.21Å; L310-P345 HydrophobicContact CD1-CB 4.22Å
311	G	93.7	Very high	91.8	Very high	57 Å²	57	43.9 Å²	43.9	59%	0.588	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	8.8	178.3	0	0	0	0	0	115.2	A309	A309-G311 PolarHBondContact O-N 2.91Å
312	L	92.6	Very high	90.9	Very high	58 Å²	58	47.6 Å²	47.6	30%	0.304	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-95	159.3	170.5	-55.9	-175	0	0	0	111.6	A309 L310 H317	A309-L312 WeakPolarHBondContact O-CB 3.37Å; A309-L312 PolarHBondContact O-N 3.27Å; A309-L312 VanDerWaalsContact O-N 3.07Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.14Å; L312-H317 HydrophobicContact CD1-CB 4.47Å; L312-H317 VanDerWaalsContact CD1-ND1 3.26Å; L312-H317 WeakPolarHBondContact CD1-ND1 3.45Å
313	E	91.2	Very high	90.3	Very high	170 Å²	170	50.3 Å²	50.3	79%	0.794	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-74	167.1	175	-62	-173.9	170.8	0	0	112	H317	E313-H317 PolarHBondContact O-NE2 3.14Å
314	E	91.2	Very high	89.7	Confident	125 Å²	125	50.1 Å²	50.1	58%	0.584	28%	0.279	S	S	*	.	S	Bend	trans	-58.5	139	171.4	-65.5	-165.7	160.1	0	0	111.2	V326 Q328	E314-V326 WeakPolarHBondContact CA-O 3.11Å; E314-V326 HydrophobicContact CG-CG1 4.47Å; E314-Q328 WeakPolarHBondContact OE1-CA 3.29Å; E314-Q328 PolarHBondContact OE1-N 2.8Å
315	G	90.7	Very high	89.3	Confident	28 Å²	28	54.4 Å²	54.4	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-169	-174.9	0	0	0	0	0	113.7	Q325 V326	G315-Q325 WeakPolarHBondContact O-CA 3.44Å; G315-V326 PolarHBondContact N-O 2.89Å; G315-V326 PolarHBondContact O-N 2.92Å
316	V	87.8	Confident	89.1	Confident	96 Å²	96	53.8 Å²	53.8	58%	0.582	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.7	174.7	-178.5	0	0	0	0	108.9	L324	V316-L324 CarbonylContact C-O 3.49Å; V316-L324 VanDerWaalsContact CA-O 3.3Å; V316-L324 WeakPolarHBondContact CA-O 3.29Å
317	H	90	Very high	88.7	Confident	39 Å²	39	58.9 Å²	58.9	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-169.7	177	-59.7	-70.8	0	0	0	109	L312 E313 L324	L312-H317 HydrophobicContact CD1-CB 4.47Å; L312-H317 VanDerWaalsContact CD1-ND1 3.26Å; L312-H317 WeakPolarHBondContact CD1-ND1 3.45Å; E313-H317 PolarHBondContact O-NE2 3.14Å; H317-L324 HydrophobicContact CB-CD2 4.48Å; H317-L324 PolarHBondContact N-O 2.78Å; H317-L324 PolarHBondContact O-N 2.83Å
318	H	84.2	Confident	88.2	Confident	111 Å²	111	65.7 Å²	65.7	51%	0.514	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.8	179.2	-63.3	83	0	0	0	111.2	S308 L322	S308-H318 PolarHBondContact OG-O 3.12Å; H318-L322 WeakPolarHBondContact CA-O 3.36Å
319	I	81.8	Confident	87.7	Confident	24 Å²	24	67.9 Å²	67.9	12%	0.123	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.5	164.4	-174.3	-178.4	0	0	0	107.6	I307 Q321 L322 L324	I307-I319 HydrophobicContact CB-CD1 4.08Å; I307-I319 HydrophobicContact CD1-CD1 4.31Å; I307-I319 HydrophobicContact CG2-CD1 3.54Å; I307-I319 HydrophobicContact CG2-CG1 4.46Å; I319-Q321 PolarHBondContact O-N 3.25Å; I319-L322 HydrophobicContact CG2-CB 4.12Å; I319-L322 PolarHBondContact N-O 3.26Å; I319-L322 WeakPolarHBondContact O-CB 3.26Å; I319-L322 PolarHBondContact O-N 2.81Å; I319-L324 HydrophobicContact CB-CD1 4.22Å; I319-L324 HydrophobicContact CG2-CB 4.46Å; I319-L324 HydrophobicContact CG2-CD1 3.74Å
320	G	82.2	Confident	87.3	Confident	18 Å²	18	71.5 Å²	71.5	19%	0.186	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	-127.9	-160.4	0	0	0	0	0	112.4	D93 Y96 L322	D93-G320 PolarHBondContact OD2-N 2.98Å; Y96-G320 VanDerWaalsContact CG-CA 3.49Å; G320-L322 VanDerWaalsContact C-N 3.33Å
321	Q	77.9	Confident	86.8	Confident	160 Å²	160	71.5 Å²	71.5	75%	0.748	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.6	174.8	-61.2	-176.3	2.3	0	0	113.6	Y96 I319	Y96-Q321 HydrophobicContact CD2-CG 4.25Å; Y96-Q321 HydrophobicContact CE2-CB 4.49Å; Y96-Q321 HydrophobicContact CE2-CG 3.38Å; I319-Q321 PolarHBondContact O-N 3.25Å
322	L	81.2	Confident	86.4	Confident	80 Å²	80	70.5 Å²	70.5	42%	0.419	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.4	-171.9	-64	173.6	0	0	0	110.4	H318 I319 G320	H318-L322 WeakPolarHBondContact CA-O 3.36Å; I319-L322 HydrophobicContact CG2-CB 4.12Å; I319-L322 PolarHBondContact N-O 3.26Å; I319-L322 WeakPolarHBondContact O-CB 3.26Å; I319-L322 PolarHBondContact O-N 2.81Å; G320-L322 VanDerWaalsContact C-N 3.33Å
323	P	86.3	Confident	85.8	Confident	56 Å²	56	70 Å²	70	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.2	170.6	27.3	-32.2	0	0	0	109.8	A334	P323-A334 HydrophobicContact CB-CB 3.85Å; P323-A334 HydrophobicContact CG-CB 4.01Å; P323-A334 VanDerWaalsContact O-CB 3.26Å; P323-A334 WeakPolarHBondContact O-CB 3.42Å; P323-A334 PolarHBondContact O-N 3.41Å
324	L	86.3	Confident	85.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139	-177.1	-172.1	125.4	0	0	0	109.3	I307 A309 V316 H317 I319 V326 A331 F332 C340	I307-L324 HydrophobicContact CD1-CD1 3.35Å; I307-L324 HydrophobicContact CD1-CD2 4.03Å; I307-L324 HydrophobicContact CD1-CG 4.3Å; A309-L324 HydrophobicContact CB-CD2 3.79Å; V316-L324 CarbonylContact C-O 3.49Å; V316-L324 VanDerWaalsContact CA-O 3.3Å; V316-L324 WeakPolarHBondContact CA-O 3.29Å; H317-L324 HydrophobicContact CB-CD2 4.48Å; H317-L324 PolarHBondContact N-O 2.78Å; H317-L324 PolarHBondContact O-N 2.83Å; I319-L324 HydrophobicContact CB-CD1 4.22Å; I319-L324 HydrophobicContact CG2-CB 4.46Å; I319-L324 HydrophobicContact CG2-CD1 3.74Å; L324-V326 HydrophobicContact CD2-CG2 3.66Å; L324-A331 HydrophobicContact CD1-CB 4.08Å; L324-A331 HydrophobicContact CD2-CB 3.77Å; L324-A331 HydrophobicContact CG-CB 4.23Å; L324-F332 CarbonylContact C-O 3.52Å; L324-F332 WeakPolarHBondContact CA-O 3.41Å; L324-F332 WeakPolarHBondContact CG-O 3.44Å; L324-C340 HydrophobicContact CD1-CB 3.89Å
325	Q	89.7	Confident	85	Confident	90 Å²	90	61.4 Å²	61.4	42%	0.421	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.5	173.8	-171.1	163.1	22.7	0	0	109.8	G315 F332	G315-Q325 WeakPolarHBondContact O-CA 3.44Å; Q325-F332 PolarHBondContact N-O 3.13Å; Q325-F332 PolarHBondContact O-N 3.33Å
326	V	89.7	Confident	84.6	Confident	6 Å²	6	62.9 Å²	62.9	4%	0.036	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.4	169.8	177.6	0	0	0	0	108.9	A309 E314 G315 L324 K330 I343	A309-V326 HydrophobicContact CB-CG2 3.64Å; E314-V326 WeakPolarHBondContact CA-O 3.11Å; E314-V326 HydrophobicContact CG-CG1 4.47Å; G315-V326 PolarHBondContact N-O 2.89Å; G315-V326 PolarHBondContact O-N 2.92Å; L324-V326 HydrophobicContact CD2-CG2 3.66Å; V326-K330 VanDerWaalsContact CA-O 3.32Å; V326-K330 WeakPolarHBondContact CA-O 3.41Å; V326-I343 HydrophobicContact CG1-CD1 3.58Å; V326-I343 HydrophobicContact CG2-CD1 4.42Å
327	K	87.5	Confident	84.1	Confident	107 Å²	107	66.4 Å²	66.4	47%	0.465	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	136.2	177.8	179.2	179.3	175.5	-171.2	0	110.1	G329 K330	K327-G329 VanDerWaalsContact C-N 3.25Å; K327-G329 PolarHBondContact O-N 3.32Å; K327-K330 PolarHBondContact N-O 3.23Å; K327-K330 PolarHBondContact O-N 2.97Å
328	Q	85.3	Confident	83.6	Confident	147 Å²	147	68.3 Å²	68.3	69%	0.687	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	38.7	178	-66.4	174	-27.3	0	0	113.2	E314 K330	E314-Q328 WeakPolarHBondContact OE1-CA 3.29Å; E314-Q328 PolarHBondContact OE1-N 2.8Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.69Å
329	G	82.7	Confident	83.2	Confident	49 Å²	49	66 Å²	66	51%	0.505	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	17.7	-178.8	0	0	0	0	0	114.5	K327 I343	K327-G329 VanDerWaalsContact C-N 3.25Å; K327-G329 PolarHBondContact O-N 3.32Å; G329-I343 VanDerWaalsContact C-CD1 3.48Å; G329-I343 WeakPolarHBondContact O-CG1 3.43Å
330	K	85.6	Confident	82.9	Confident	78 Å²	78	65.2 Å²	65.2	34%	0.339	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.9	179.5	-50.1	-172.4	-178	-168.8	0	111.2	V282 V326 K327 Q328 F332 L339	V282-K330 HydrophobicContact CG1-CD 3.71Å; V282-K330 HydrophobicContact CG1-CG 4.15Å; V282-K330 HydrophobicContact CG2-CD 3.94Å; V282-K330 HydrophobicContact CG2-CG 3.85Å; V326-K330 VanDerWaalsContact CA-O 3.32Å; V326-K330 WeakPolarHBondContact CA-O 3.41Å; K327-K330 PolarHBondContact N-O 3.23Å; K327-K330 PolarHBondContact O-N 2.97Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 2.69Å; K330-F332 HydrophobicContact CB-CD2 4.3Å; K330-F332 HydrophobicContact CB-CE2 3.54Å; K330-F332 HydrophobicContact CB-CZ 3.86Å; K330-F332 HydrophobicContact CD-CE2 4.41Å; K330-F332 HydrophobicContact CD-CZ 3.97Å; K330-L339 HydrophobicContact CB-CD2 4.27Å; K330-L339 HydrophobicContact CD-CD2 4.45Å
331	A	85.8	Confident	82.5	Confident	3 Å²	3	65 Å²	65	3%	0.025	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.3	176.8	0	0	0	0	0	110.7	I307 L324 L339 C340 I343	I307-A331 HydrophobicContact CD1-CB 3.94Å; L324-A331 HydrophobicContact CD1-CB 4.08Å; L324-A331 HydrophobicContact CD2-CB 3.77Å; L324-A331 HydrophobicContact CG-CB 4.23Å; A331-L339 WeakPolarHBondContact O-CA 3.46Å; A331-C340 WeakPolarHBondContact CB-O 3.15Å; A331-C340 PolarHBondContact O-N 3.02Å; A331-I343 HydrophobicContact CB-CG2 3.82Å
332	F	84.4	Confident	83	Confident	36 Å²	36	57.4 Å²	57.4	16%	0.158	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.7	178.7	-59	-89.7	0	0	0	111.1	L324 Q325 K330 A334 T338 L339	L324-F332 CarbonylContact C-O 3.52Å; L324-F332 WeakPolarHBondContact CA-O 3.41Å; L324-F332 WeakPolarHBondContact CG-O 3.44Å; Q325-F332 PolarHBondContact N-O 3.13Å; Q325-F332 PolarHBondContact O-N 3.33Å; K330-F332 HydrophobicContact CB-CD2 4.3Å; K330-F332 HydrophobicContact CB-CE2 3.54Å; K330-F332 HydrophobicContact CB-CZ 3.86Å; K330-F332 HydrophobicContact CD-CE2 4.41Å; K330-F332 HydrophobicContact CD-CZ 3.97Å; F332-A334 PolarHBondContact O-N 3.37Å; F332-T338 CarbonylContact C-O 3.44Å; F332-T338 VanDerWaalsContact CA-O 3.31Å; F332-T338 WeakPolarHBondContact CA-O 3.34Å; F332-L339 HydrophobicContact CD1-CD2 4.05Å; F332-L339 HydrophobicContact CE1-CD2 3.7Å; F332-L339 HydrophobicContact CE1-CG 4.29Å; F332-L339 HydrophobicContact CZ-CD2 4.13Å
333	I	81.4	Confident	83.6	Confident	46 Å²	46	54.8 Å²	54.8	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	123.6	165.2	-57.1	178.7	0	0	0	107.7	G335 T336 T338 C340	I333-G335 PolarHBondContact O-N 2.91Å; I333-T336 WeakPolarHBondContact CB-OG1 3.34Å; I333-T336 HydrophobicContact CG2-CG2 4.35Å; I333-T336 PolarHBondContact O-N 3.11Å; I333-T336 PolarHBondContact O-OG1 3.43Å; I333-T338 HydrophobicContact CD1-CG2 4.01Å; I333-T338 PolarHBondContact N-O 3.25Å; I333-C340 HydrophobicContact CG1-CB 3.86Å
334	A	82.3	Confident	83.9	Confident	35 Å²	35	52.6 Å²	52.6	29%	0.289	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	133.4	-172.6	0	0	0	0	0	111.4	P323 F332 T336	P323-A334 HydrophobicContact CB-CB 3.85Å; P323-A334 HydrophobicContact CG-CB 4.01Å; P323-A334 VanDerWaalsContact O-CB 3.26Å; P323-A334 WeakPolarHBondContact O-CB 3.42Å; P323-A334 PolarHBondContact O-N 3.41Å; F332-A334 PolarHBondContact O-N 3.37Å; A334-T336 VanDerWaalsContact C-N 3.32Å
335	G	82.5	Confident	84.4	Confident	80 Å²	80	54 Å²	54	83%	0.825	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	7.9	-175.8	0	0	0	0	0	115	I333	I333-G335 PolarHBondContact O-N 2.91Å
336	T	81.3	Confident	84.8	Confident	59 Å²	59	49.7 Å²	49.7	36%	0.362	29%	0.291	S	S	.	.	S	Bend	trans	-135.4	169.6	176.9	82.1	0	0	0	0	111.8	I333 A334 T338	I333-T336 WeakPolarHBondContact CB-OG1 3.34Å; I333-T336 HydrophobicContact CG2-CG2 4.35Å; I333-T336 PolarHBondContact O-N 3.11Å; I333-T336 PolarHBondContact O-OG1 3.43Å; A334-T336 VanDerWaalsContact C-N 3.32Å; T336-T338 VanDerWaalsContact C-N 3.32Å; T336-T338 WeakPolarHBondContact OG1-CB 3.49Å; T336-T338 PolarHBondContact OG1-N 3.31Å; T336-T338 PolarHBondContact OG1-OG1 3.26Å
337	E	79.2	Confident	85.2	Confident	170 Å²	170	50.3 Å²	50.3	79%	0.794	30%	0.295	S	S	*	.	S	Bend	trans	-94.5	11.6	169.1	-61.9	-64	143.3	0	0	112.2	L339	E337-L339 PolarHBondContact O-N 2.87Å
338	T	77.8	Confident	85.7	Confident	79 Å²	79	49 Å²	49	49%	0.485	29%	0.29	S	S	.	.			trans	-78.7	116.2	-178	-49.4	0	0	0	0	109.2	F332 I333 T336	F332-T338 CarbonylContact C-O 3.44Å; F332-T338 VanDerWaalsContact CA-O 3.31Å; F332-T338 WeakPolarHBondContact CA-O 3.34Å; I333-T338 HydrophobicContact CD1-CG2 4.01Å; I333-T338 PolarHBondContact N-O 3.25Å; T336-T338 VanDerWaalsContact C-N 3.32Å; T336-T338 WeakPolarHBondContact OG1-CB 3.49Å; T336-T338 PolarHBondContact OG1-N 3.31Å; T336-T338 PolarHBondContact OG1-OG1 3.26Å
339	L	76.5	Confident	86.3	Confident	64 Å²	64	42 Å²	42	34%	0.335	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-62.7	142.3	171.9	-70	164.7	0	0	0	110.6	V282 K330 A331 F332 E337	V282-L339 HydrophobicContact CG1-CD1 3.54Å; V282-L339 HydrophobicContact CG1-CD2 3.48Å; V282-L339 VanDerWaalsContact CG1-CD2 3.48Å; V282-L339 HydrophobicContact CG1-CG 4.15Å; K330-L339 HydrophobicContact CB-CD2 4.27Å; K330-L339 HydrophobicContact CD-CD2 4.45Å; A331-L339 WeakPolarHBondContact O-CA 3.46Å; F332-L339 HydrophobicContact CD1-CD2 4.05Å; F332-L339 HydrophobicContact CE1-CD2 3.7Å; F332-L339 HydrophobicContact CE1-CG 4.29Å; F332-L339 HydrophobicContact CZ-CD2 4.13Å; E337-L339 PolarHBondContact O-N 2.87Å
340	C	75	Confident	87.1	Confident	6 Å²	6	39.7 Å²	39.7	4%	0.041	23%	0.234	C	C	.	.			trans	-139.2	100.9	179.6	-167.1	0	0	0	0	110.3	I307 L324 A331 I333	I307-C340 WeakPolarHBondContact CD1-O 3.46Å; L324-C340 HydrophobicContact CD1-CB 3.89Å; A331-C340 WeakPolarHBondContact CB-O 3.15Å; A331-C340 PolarHBondContact O-N 3.02Å; I333-C340 HydrophobicContact CG1-CB 3.86Å
341	G	75.3	Confident	87.7	Confident	13 Å²	13	38.7 Å²	38.7	13%	0.134	23%	0.228	C	C	.	.	S	Bend	trans	61.3	168.6	-179.6	0	0	0	0	0	114.1	H283	H283-G341 VanDerWaalsContact CE1-C 3.4Å; H283-G341 PolarHBondContact CE1-O 3.44Å
342	S	88.5	Confident	88.2	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-88	159	175.9	-159.5	0	0	0	0	112.3	D280 T304 D305 A306 I307 A344	D280-S342 VanDerWaalsContact CB-OG 3.3Å; D280-S342 WeakPolarHBondContact CB-OG 3.47Å; D280-S342 PolarHBondContact OD2-OG 2.67Å; T304-S342 WeakPolarHBondContact O-CB 3.37Å; D305-S342 PolarHBondContact O-N 3.33Å; A306-S342 VanDerWaalsContact CA-O 3.25Å; A306-S342 WeakPolarHBondContact CA-O 3.24Å; I307-S342 WeakPolarHBondContact CG1-O 3.38Å; I307-S342 PolarHBondContact N-O 3.09Å; S342-A344 PolarHBondContact OG-N 2.71Å
343	I	92.1	Very high	88.9	Confident	26 Å²	26	38.7 Å²	38.7	13%	0.133	23%	0.228	C	C	.	.			trans	-124.7	8.3	164.4	66.4	173.8	0	0	0	111.8	I307 A309 L310 V326 G329 A331	I307-I343 HydrophobicContact CG1-CG2 4.17Å; A309-I343 HydrophobicContact CB-CG2 3.62Å; L310-I343 VanDerWaalsContact CD1-O 3.26Å; L310-I343 WeakPolarHBondContact CD1-O 3.21Å; V326-I343 HydrophobicContact CG1-CD1 3.58Å; V326-I343 HydrophobicContact CG2-CD1 4.42Å; G329-I343 VanDerWaalsContact C-CD1 3.48Å; G329-I343 WeakPolarHBondContact O-CG1 3.43Å; A331-I343 HydrophobicContact CB-CG2 3.82Å
344	A	93.8	Very high	89.7	Confident	9 Å²	9	39 Å²	39	7%	0.074	23%	0.229	C	C	.	.			trans	-78.8	130.1	178	0	0	0	0	0	110.4	D280 S342	D280-A344 HydrophobicContact CB-CB 3.44Å; D280-A344 VanDerWaalsContact CB-CB 3.44Å; S342-A344 PolarHBondContact OG-N 2.71Å
345	P	96.5	Very high	90.5	Very high	29 Å²	29	45.8 Å²	45.8	19%	0.188	25%	0.252	C	S	.	.			trans	-72.5	155.1	173.9	30.5	-34	0	0	0	111.5	L310 D347 E348 C349	L310-P345 HydrophobicContact CD1-CB 4.22Å; P345-D347 VanDerWaalsContact C-N 3.32Å; P345-D347 WeakPolarHBondContact CB-OD1 3.32Å; P345-D347 WeakPolarHBondContact CG-OD1 3.27Å; P345-D347 PolarHBondContact O-N 3.13Å; P345-E348 HydrophobicContact CG-CB 3.88Å; P345-E348 WeakPolarHBondContact O-CA 3.3Å; P345-E348 WeakPolarHBondContact O-CB 3.34Å; P345-E348 PolarHBondContact O-N 2.8Å; P345-C349 PolarHBondContact O-N 3.33Å
346	M	98.5	Very high	91.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-41.3	-175	-176.3	58.6	80.1	0	0	114.1	Y81 D83 V117 L302 T304 E348 C349 V350 A368	Y81-M346 HydrophobicContact CD2-CB 4.43Å; Y81-M346 HydrophobicContact CD2-CG 3.91Å; Y81-M346 HydrophobicContact CG-CG 3.92Å; D83-M346 HydrophobicContact CB-CE 3.65Å; D83-M346 VanDerWaalsContact CG-CE 3.46Å; V117-M346 HydrophobicContact CG2-CB 3.48Å; V117-M346 VanDerWaalsContact CG2-CB 3.48Å; V117-M346 HydrophobicContact CG2-CG 3.97Å; L302-M346 HydrophobicContact CB-SD 4.11Å; L302-M346 WeakPolarHBondContact O-CE 3.32Å; T304-M346 HydrophobicContact CG2-CB 4.08Å; T304-M346 HydrophobicContact CG2-CE 4.05Å; M346-E348 PolarHBondContact O-N 2.88Å; M346-C349 WeakPolarHBondContact O-CB 3.42Å; M346-C349 PolarHBondContact O-N 3.38Å; M346-C349 HydrophobicContact SD-CB 4.46Å; M346-V350 WeakPolarHBondContact O-CG2 3.2Å; M346-V350 PolarHBondContact O-N 3.2Å; M346-A368 HydrophobicContact CG-CB 4.43Å; M346-A368 HydrophobicContact SD-CB 4.04Å
347	D	98	Very high	92	Very high	20 Å²	20	40 Å²	40	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-35.7	177.7	68	-59.2	0	0	0	111.9	Y81 S115 P345 R351 V402	Y81-D347 HydrophobicContact CE2-CB 4.04Å; S115-D347 WeakPolarHBondContact CB-OD1 3.32Å; S115-D347 WeakPolarHBondContact O-CB 3.09Å; P345-D347 VanDerWaalsContact C-N 3.32Å; P345-D347 WeakPolarHBondContact CB-OD1 3.32Å; P345-D347 WeakPolarHBondContact CG-OD1 3.27Å; P345-D347 PolarHBondContact O-N 3.13Å; D347-R351 WeakPolarHBondContact O-CG 3.28Å; D347-R351 VanDerWaalsContact O-CZ 3.26Å; D347-R351 PolarHBondContact O-N 2.93Å; D347-R351 PolarHBondContact O-NH1 3Å; D347-R351 IonicContact OD2-CZ 2.79Å; D347-R351 VanDerWaalsContact OD2-CZ 3.25Å; D347-R351 IonicContact OD2-NH1 3.67Å; D347-R351 PolarHBondContact OD2-NH1 2.97Å; D347-R351 IonicContact OD2-NH2 3.56Å; D347-R351 PolarHBondContact OD2-NH2 3.12Å; D347-V402 HydrophobicContact CB-CG2 3.88Å
348	E	97.3	Very high	92.9	Very high	80 Å²	80	38.9 Å²	38.9	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-69.4	-43.4	173.7	-169.1	171.1	168.1	0	0	111.9	P345 M346 V350 R351 I352	P345-E348 HydrophobicContact CG-CB 3.88Å; P345-E348 WeakPolarHBondContact O-CA 3.3Å; P345-E348 WeakPolarHBondContact O-CB 3.34Å; P345-E348 PolarHBondContact O-N 2.8Å; M346-E348 PolarHBondContact O-N 2.88Å; E348-V350 VanDerWaalsContact C-N 3.28Å; E348-V350 PolarHBondContact O-N 3.05Å; E348-R351 PolarHBondContact O-N 2.78Å; E348-R351 VanDerWaalsContact O-N 3.12Å; E348-I352 HydrophobicContact CG-CD1 3.7Å; E348-I352 HydrophobicContact CG-CG1 4.13Å; E348-I352 WeakPolarHBondContact O-CB 3.41Å; E348-I352 WeakPolarHBondContact O-CG1 3.4Å; E348-I352 PolarHBondContact O-N 2.87Å
349	C	98.1	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-53.7	-46	172.9	-69.5	0	0	0	0	111.3	S279 P345 M346 R351 I352 F353	S279-C349 VanDerWaalsContact OG-C 3.32Å; S279-C349 WeakPolarHBondContact OG-CA 3.26Å; S279-C349 WeakPolarHBondContact OG-CB 3.31Å; S279-C349 PolarHBondContact OG-O 2.83Å; P345-C349 PolarHBondContact O-N 3.33Å; M346-C349 WeakPolarHBondContact O-CB 3.42Å; M346-C349 PolarHBondContact O-N 3.38Å; M346-C349 HydrophobicContact SD-CB 4.46Å; C349-R351 PolarHBondContact O-N 2.8Å; C349-I352 PolarHBondContact O-N 2.7Å; C349-F353 VanDerWaalsContact O-CB 3.22Å; C349-F353 WeakPolarHBondContact O-CB 3.1Å; C349-F353 PolarHBondContact O-N 2.95Å
350	V	98.7	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-48.8	176.1	171.3	0	0	0	0	111.4	Y81 L302 M346 E348 F353 Q354 A364 A368 L400	Y81-V350 HydrophobicContact CE1-CG2 4.09Å; L302-V350 HydrophobicContact CD1-CB 4.36Å; L302-V350 HydrophobicContact CD1-CG2 3.85Å; M346-V350 WeakPolarHBondContact O-CG2 3.2Å; M346-V350 PolarHBondContact O-N 3.2Å; E348-V350 VanDerWaalsContact C-N 3.28Å; E348-V350 PolarHBondContact O-N 3.05Å; V350-F353 PolarHBondContact O-N 3.06Å; V350-Q354 WeakPolarHBondContact O-CB 3.47Å; V350-Q354 PolarHBondContact O-N 3.04Å; V350-A364 HydrophobicContact CG1-CB 4.08Å; V350-A368 HydrophobicContact CG2-CB 3.65Å; V350-L400 HydrophobicContact CG1-CD1 4.02Å
351	R	98.4	Very high	96	Very high	57 Å²	57	37.2 Å²	37.2	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-43.9	179.9	-72.5	-175.4	-58.1	-83.1	2.8	113.1	D347 E348 C349 F353 Q354 K355 Q399 L400	D347-R351 WeakPolarHBondContact O-CG 3.28Å; D347-R351 VanDerWaalsContact O-CZ 3.26Å; D347-R351 PolarHBondContact O-N 2.93Å; D347-R351 PolarHBondContact O-NH1 3Å; D347-R351 IonicContact OD2-CZ 2.79Å; D347-R351 VanDerWaalsContact OD2-CZ 3.25Å; D347-R351 IonicContact OD2-NH1 3.67Å; D347-R351 PolarHBondContact OD2-NH1 2.97Å; D347-R351 IonicContact OD2-NH2 3.56Å; D347-R351 PolarHBondContact OD2-NH2 3.12Å; E348-R351 PolarHBondContact O-N 2.78Å; E348-R351 VanDerWaalsContact O-N 3.12Å; C349-R351 PolarHBondContact O-N 2.8Å; R351-F353 VanDerWaalsContact C-N 3.35Å; R351-Q354 PolarHBondContact O-N 3.48Å; R351-K355 WeakPolarHBondContact O-CB 3.29Å; R351-K355 PolarHBondContact O-N 2.88Å; R351-Q399 WeakPolarHBondContact CD-O 3.15Å; R351-Q399 WeakPolarHBondContact CG-O 3.37Å; R351-L400 HydrophobicContact CG-CB 3.98Å; R351-L400 PolarHBondContact NH1-O 2.9Å; R351-L400 VanDerWaalsContact NH1-O 3.12Å
352	I	97.7	Very high	97.1	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.195	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-44.5	179	-69.3	173.6	0	0	0	109.6	S279 E348 C349 K355 A356	S279-I352 WeakPolarHBondContact O-CB 3.39Å; S279-I352 WeakPolarHBondContact O-CG2 3.39Å; E348-I352 HydrophobicContact CG-CD1 3.7Å; E348-I352 HydrophobicContact CG-CG1 4.13Å; E348-I352 WeakPolarHBondContact O-CB 3.41Å; E348-I352 WeakPolarHBondContact O-CG1 3.4Å; E348-I352 PolarHBondContact O-N 2.87Å; C349-I352 PolarHBondContact O-N 2.7Å; I352-K355 PolarHBondContact O-N 3.46Å; I352-A356 WeakPolarHBondContact O-CB 3.49Å; I352-A356 PolarHBondContact O-N 2.79Å
353	F	98.5	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-49.3	176.9	178.3	-99.3	0	0	0	111.8	L289 Y293 L300 L302 C349 V350 R351 K355 A356 T357 C359 Y363 A364	L289-F353 HydrophobicContact CB-CD2 4.46Å; L289-F353 HydrophobicContact CD2-CD2 4.34Å; Y293-F353 HydrophobicContact CD2-CZ 4.27Å; Y293-F353 HydrophobicContact CG-CZ 4.18Å; L300-F353 HydrophobicContact CD1-CE2 3.6Å; L300-F353 HydrophobicContact CD1-CZ 3.58Å; L300-F353 HydrophobicContact CD2-CE1 4.35Å; L300-F353 HydrophobicContact CD2-CE2 4.01Å; L300-F353 HydrophobicContact CD2-CZ 3.84Å; L300-F353 HydrophobicContact CG-CE2 4.48Å; L300-F353 HydrophobicContact CG-CZ 4.4Å; L302-F353 HydrophobicContact CD1-CB 4.06Å; L302-F353 HydrophobicContact CD1-CD1 4.32Å; L302-F353 HydrophobicContact CD1-CG 4.25Å; L302-F353 HydrophobicContact CD2-CB 3.99Å; L302-F353 HydrophobicContact CD2-CD1 4.41Å; L302-F353 HydrophobicContact CD2-CD2 3.91Å; L302-F353 HydrophobicContact CD2-CG 3.82Å; C349-F353 VanDerWaalsContact O-CB 3.22Å; C349-F353 WeakPolarHBondContact O-CB 3.1Å; C349-F353 PolarHBondContact O-N 2.95Å; V350-F353 PolarHBondContact O-N 3.06Å; R351-F353 VanDerWaalsContact C-N 3.35Å; F353-K355 VanDerWaalsContact C-N 3.33Å; F353-K355 PolarHBondContact O-N 3.3Å; F353-A356 PolarHBondContact O-N 2.68Å; F353-T357 HydrophobicContact CD2-CG2 3.92Å; F353-T357 HydrophobicContact CE1-CG2 4.33Å; F353-T357 HydrophobicContact CE2-CG2 3.48Å; F353-T357 VanDerWaalsContact CE2-CG2 3.48Å; F353-T357 HydrophobicContact CG-CG2 4.5Å; F353-T357 HydrophobicContact CZ-CG2 3.71Å; F353-T357 WeakPolarHBondContact O-CB 3.32Å; F353-T357 WeakPolarHBondContact O-CG2 3.26Å; F353-T357 PolarHBondContact O-N 3.4Å; F353-T357 PolarHBondContact O-OG1 3.24Å; F353-C359 VanDerWaalsContact CE1-SG 3.57Å; F353-Y363 AromaticContact CE1-CD1 3.98Å; F353-Y363 HydrophobicContact CE1-CD1 3.98Å; F353-Y363 AromaticContact CE1-CE1 3.68Å; F353-Y363 HydrophobicContact CE1-CE1 3.68Å; F353-Y363 AromaticContact CZ-CE1 3.93Å; F353-Y363 HydrophobicContact CZ-CE1 3.93Å; F353-A364 HydrophobicContact CD1-CB 4.47Å
354	Q	98.3	Very high	97.9	Very high	54 Å²	54	37.1 Å²	37.1	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-55.7	-49.7	177.6	-172.8	-81.7	-21.7	0	0	110.8	V350 R351 A356 T357 D358 A364	V350-Q354 WeakPolarHBondContact O-CB 3.47Å; V350-Q354 PolarHBondContact O-N 3.04Å; R351-Q354 PolarHBondContact O-N 3.48Å; Q354-A356 PolarHBondContact O-N 3.34Å; Q354-T357 PolarHBondContact O-N 3.02Å; Q354-D358 WeakPolarHBondContact O-CA 3.5Å; Q354-D358 PolarHBondContact O-N 2.88Å; Q354-A364 HydrophobicContact CB-CB 3.76Å; Q354-A364 HydrophobicContact CG-CB 4.05Å
355	K	98.2	Very high	98.1	Very high	176 Å²	176	36.7 Å²	36.7	77%	0.765	19%	0.188	S	C	*	.	H	α-helix	trans	-64.1	-39.2	178.9	-178.1	178.8	177.8	-177.8	0	112.7	R351 I352 F353	R351-K355 WeakPolarHBondContact O-CB 3.29Å; R351-K355 PolarHBondContact O-N 2.88Å; I352-K355 PolarHBondContact O-N 3.46Å; F353-K355 VanDerWaalsContact C-N 3.33Å; F353-K355 PolarHBondContact O-N 3.3Å
356	A	97.8	Very high	98.3	Very high	14 Å²	14	36.2 Å²	36.2	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-33	-177.6	0	0	0	0	0	112.7	P286 L289 R290 I352 F353 Q354	P286-A356 HydrophobicContact CB-CB 3.97Å; L289-A356 HydrophobicContact CD1-CB 3.79Å; R290-A356 VanDerWaalsContact CD-O 3.29Å; R290-A356 WeakPolarHBondContact CD-O 3.41Å; R290-A356 VanDerWaalsContact CG-O 3.25Å; R290-A356 WeakPolarHBondContact CG-O 3.2Å; R290-A356 PolarHBondContact NH1-O 2.9Å; I352-A356 WeakPolarHBondContact O-CB 3.49Å; I352-A356 PolarHBondContact O-N 2.79Å; F353-A356 PolarHBondContact O-N 2.68Å; Q354-A356 PolarHBondContact O-N 3.34Å
357	T	98	Very high	98.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-102	-19.7	-172.5	59.3	0	0	0	0	114.7	L289 R290 Y293 F353 Q354 C359	L289-T357 HydrophobicContact CB-CG2 4.09Å; R290-T357 HydrophobicContact CG-CG2 4.2Å; Y293-T357 HydrophobicContact CD1-CG2 4.2Å; Y293-T357 HydrophobicContact CG-CG2 4.39Å; F353-T357 HydrophobicContact CD2-CG2 3.92Å; F353-T357 HydrophobicContact CE1-CG2 4.33Å; F353-T357 HydrophobicContact CE2-CG2 3.48Å; F353-T357 VanDerWaalsContact CE2-CG2 3.48Å; F353-T357 HydrophobicContact CG-CG2 4.5Å; F353-T357 HydrophobicContact CZ-CG2 3.71Å; F353-T357 WeakPolarHBondContact O-CB 3.32Å; F353-T357 WeakPolarHBondContact O-CG2 3.26Å; F353-T357 PolarHBondContact O-N 3.4Å; F353-T357 PolarHBondContact O-OG1 3.24Å; Q354-T357 PolarHBondContact O-N 3.02Å; T357-C359 PolarHBondContact O-N 3.5Å; T357-C359 PolarHBondContact OG1-N 3.39Å; T357-C359 PolarHBondContact OG1-SG 3.07Å
358	D	97.6	Very high	98.3	Very high	145 Å²	145	35.3 Å²	35.3	78%	0.775	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	29	-170.6	-158.8	38.1	0	0	0	112.2	Q354	Q354-D358 WeakPolarHBondContact O-CA 3.5Å; Q354-D358 PolarHBondContact O-N 2.88Å
359	C	98.3	Very high	98.4	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.034	16%	0.161	C	C	.	.			trans	-71.9	165.6	172	68.7	0	0	0	0	111	Y293 F353 T357 Y363	Y293-C359 HydrophobicContact CE1-CB 3.74Å; Y293-C359 HydrophobicContact CE2-CB 4.13Å; Y293-C359 WeakPolarHBondContact OH-CB 3.34Å; F353-C359 VanDerWaalsContact CE1-SG 3.57Å; T357-C359 PolarHBondContact O-N 3.5Å; T357-C359 PolarHBondContact OG1-N 3.39Å; T357-C359 PolarHBondContact OG1-SG 3.07Å; C359-Y363 HydrophobicContact CB-CD1 3.78Å; C359-Y363 HydrophobicContact CB-CG 4.32Å
360	S	98.2	Very high	98.4	Very high	67 Å²	67	32.1 Å²	32.1	47%	0.469	16%	0.164	S	C	.	.			trans	-65.2	152.9	176.4	75.6	0	0	0	0	111.2	V362 Y363 A364	S360-V362 PolarHBondContact O-N 2.83Å; S360-Y363 PolarHBondContact O-N 2.8Å; S360-Y363 WeakPolarHBondContact OG-CB 3.29Å; S360-Y363 PolarHBondContact OG-N 2.82Å; S360-A364 PolarHBondContact O-N 3Å
361	V	98.4	Very high	98.4	Very high	43 Å²	43	32.7 Å²	32.7	26%	0.261	17%	0.167	S	C	.	.	H	α-helix	trans	-53.1	-43.7	172.2	164.1	0	0	0	0	111.4	I40 I76 A364 I365 L400	I40-V361 HydrophobicContact CD1-CG1 4.09Å; I76-V361 HydrophobicContact CD1-CG1 4.38Å; V361-A364 PolarHBondContact O-N 3.07Å; V361-I365 HydrophobicContact CG1-CD1 3.82Å; V361-I365 WeakPolarHBondContact O-CG1 3.13Å; V361-I365 PolarHBondContact O-N 3.01Å; V361-I365 VanDerWaalsContact O-N 3.11Å; V361-L400 HydrophobicContact CG1-CD1 4.32Å; V361-L400 HydrophobicContact CG1-CD2 3.57Å; V361-L400 HydrophobicContact CG2-CD2 4.49Å
362	V	98.6	Very high	98.4	Very high	12 Å²	12	30 Å²	30	7%	0.073	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-47.2	179.8	176.2	0	0	0	0	110.8	V35 I40 S360 A364 I365 E366	V35-V362 HydrophobicContact CG1-CG1 4.01Å; I40-V362 HydrophobicContact CD1-CG2 4.26Å; I40-V362 HydrophobicContact CG1-CG2 3.69Å; S360-V362 PolarHBondContact O-N 2.83Å; V362-A364 VanDerWaalsContact C-N 3.35Å; V362-A364 PolarHBondContact O-N 2.84Å; V362-I365 WeakPolarHBondContact O-CB 3.4Å; V362-I365 PolarHBondContact O-N 2.9Å; V362-E366 HydrophobicContact CG1-CG 4.11Å; V362-E366 WeakPolarHBondContact O-CB 3.49Å; V362-E366 WeakPolarHBondContact O-CG 3.45Å; V362-E366 PolarHBondContact O-N 3.23Å
363	Y	98.7	Very high	98.5	Very high	25 Å²	25	28.2 Å²	28.2	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-43.3	179.4	-178.7	-82.8	0	0	0	112	Y293 P297 L300 F353 C359 S360 I365 E366 A367 H371	Y293-Y363 HydrophobicContact CD2-CD1 4.28Å; Y293-Y363 AromaticContact CD2-CE1 3.47Å; Y293-Y363 HydrophobicContact CD2-CE1 3.47Å; Y293-Y363 VanDerWaalsContact CD2-CE1 3.47Å; Y293-Y363 HydrophobicContact CD2-CE2 4.28Å; Y293-Y363 AromaticContact CD2-CZ 3.45Å; Y293-Y363 VanDerWaalsContact CD2-CZ 3.45Å; Y293-Y363 WeakPolarHBondContact CD2-OH 3.33Å; Y293-Y363 AromaticContact CE2-CD1 3.74Å; Y293-Y363 HydrophobicContact CE2-CD1 3.74Å; Y293-Y363 HydrophobicContact CE2-CD2 4.13Å; Y293-Y363 AromaticContact CE2-CE1 3.33Å; Y293-Y363 HydrophobicContact CE2-CE1 3.33Å; Y293-Y363 AromaticContact CE2-CE2 3.71Å; Y293-Y363 HydrophobicContact CE2-CE2 3.71Å; Y293-Y363 HydrophobicContact CE2-CG 4.13Å; Y293-Y363 AromaticContact CE2-CZ 3.29Å; P297-Y363 VanDerWaalsContact C-OH 3.29Å; P297-Y363 WeakPolarHBondContact CA-OH 3.43Å; P297-Y363 HydrophobicContact CB-CE2 3.8Å; P297-Y363 WeakPolarHBondContact CB-OH 3.49Å; P297-Y363 PolarHBondContact O-OH 2.94Å; L300-Y363 WeakPolarHBondContact CB-OH 3.32Å; F353-Y363 AromaticContact CE1-CD1 3.98Å; F353-Y363 HydrophobicContact CE1-CD1 3.98Å; F353-Y363 AromaticContact CE1-CE1 3.68Å; F353-Y363 HydrophobicContact CE1-CE1 3.68Å; F353-Y363 AromaticContact CZ-CE1 3.93Å; F353-Y363 HydrophobicContact CZ-CE1 3.93Å; C359-Y363 HydrophobicContact CB-CD1 3.78Å; C359-Y363 HydrophobicContact CB-CG 4.32Å; S360-Y363 PolarHBondContact O-N 2.8Å; S360-Y363 WeakPolarHBondContact OG-CB 3.29Å; S360-Y363 PolarHBondContact OG-N 2.82Å; Y363-I365 PolarHBondContact O-N 3.16Å; Y363-E366 PolarHBondContact O-N 2.94Å; Y363-A367 HydrophobicContact CE1-CB 4.4Å; Y363-A367 WeakPolarHBondContact O-CB 3.41Å; Y363-A367 PolarHBondContact O-N 2.63Å; Y363-H371 AromaticContact CE2-CE1 3.79Å
364	A	98.7	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-36.9	177.8	0	0	0	0	0	112.2	V350 F353 Q354 S360 V361 V362	V350-A364 HydrophobicContact CG1-CB 4.08Å; F353-A364 HydrophobicContact CD1-CB 4.47Å; Q354-A364 HydrophobicContact CB-CB 3.76Å; Q354-A364 HydrophobicContact CG-CB 4.05Å; S360-A364 PolarHBondContact O-N 3Å; V361-A364 PolarHBondContact O-N 3.07Å; V362-A364 VanDerWaalsContact C-N 3.35Å; V362-A364 PolarHBondContact O-N 2.84Å
365	I	98.8	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.9	-46.4	173.9	-69.2	168	0	0	0	110.6	V35 A78 V361 V362 Y363 A367 A368 T369 L396 L400	V35-I365 HydrophobicContact CG1-CG2 4.33Å; V35-I365 HydrophobicContact CG2-CD1 3.9Å; A78-I365 HydrophobicContact CB-CD1 4.14Å; A78-I365 HydrophobicContact CB-CG2 3.64Å; V361-I365 HydrophobicContact CG1-CD1 3.82Å; V361-I365 WeakPolarHBondContact O-CG1 3.13Å; V361-I365 PolarHBondContact O-N 3.01Å; V361-I365 VanDerWaalsContact O-N 3.11Å; V362-I365 WeakPolarHBondContact O-CB 3.4Å; V362-I365 PolarHBondContact O-N 2.9Å; Y363-I365 PolarHBondContact O-N 3.16Å; I365-A367 VanDerWaalsContact C-N 3.29Å; I365-A367 PolarHBondContact O-N 3.2Å; I365-A368 CarbonylContact O-C 3.4Å; I365-A368 PolarHBondContact O-N 3.04Å; I365-T369 HydrophobicContact CG2-CG2 4.13Å; I365-T369 WeakPolarHBondContact O-CB 3.33Å; I365-T369 WeakPolarHBondContact O-CG2 3.3Å; I365-T369 PolarHBondContact O-N 2.89Å; I365-T369 VanDerWaalsContact O-N 3.09Å; I365-T369 PolarHBondContact O-OG1 2.82Å; I365-L396 HydrophobicContact CD1-CD1 3.99Å; I365-L396 HydrophobicContact CG1-CD1 4.38Å; I365-L400 HydrophobicContact CD1-CD2 4.3Å
366	E	98.8	Very high	98.5	Very high	20 Å²	20	20.6 Å²	20.6	9%	0.093	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-36.2	-179.7	-75.7	179.1	163.7	0	0	112.5	H38 V362 Y363 A368 T369 L370 H371	H38-E366 WeakPolarHBondContact CA-OE1 3.36Å; H38-E366 IonicContact CE1-OE1 2.77Å; H38-E366 IonicContact CG-OE1 3.6Å; H38-E366 VanDerWaalsContact ND1-CD 3.35Å; H38-E366 IonicContact ND1-OE1 2.86Å; H38-E366 PolarHBondContact ND1-OE1 3.05Å; H38-E366 IonicContact ND1-OE2 3.79Å; H38-E366 PolarHBondContact ND1-OE2 3.46Å; V362-E366 HydrophobicContact CG1-CG 4.11Å; V362-E366 WeakPolarHBondContact O-CB 3.49Å; V362-E366 WeakPolarHBondContact O-CG 3.45Å; V362-E366 PolarHBondContact O-N 3.23Å; Y363-E366 PolarHBondContact O-N 2.94Å; E366-A368 PolarHBondContact O-N 3.01Å; E366-T369 VanDerWaalsContact CA-OG1 3.28Å; E366-T369 WeakPolarHBondContact CA-OG1 3.42Å; E366-T369 CarbonylContact O-C 3.57Å; E366-T369 PolarHBondContact O-N 2.76Å; E366-L370 HydrophobicContact CB-CB 4.11Å; E366-L370 HydrophobicContact CG-CB 4.13Å; E366-L370 HydrophobicContact CG-CD2 4.29Å; E366-L370 PolarHBondContact O-N 3.4Å; E366-H371 PolarHBondContact O-N 2.9Å
367	A	98.8	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.6	173.9	0	0	0	0	0	113.8	L300 I301 L302 Y363 I365	L300-A367 HydrophobicContact CD2-CB 3.73Å; I301-A367 WeakPolarHBondContact CA-O 3.22Å; L302-A367 HydrophobicContact CD1-CB 4.26Å; L302-A367 HydrophobicContact CG-CB 3.98Å; L302-A367 PolarHBondContact N-O 2.83Å; Y363-A367 HydrophobicContact CE1-CB 4.4Å; Y363-A367 WeakPolarHBondContact O-CB 3.41Å; Y363-A367 PolarHBondContact O-N 2.63Å; I365-A367 VanDerWaalsContact C-N 3.29Å; I365-A367 PolarHBondContact O-N 3.2Å
368	A	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	5.9	175	0	0	0	0	0	113.2	Y81 I82 L302 M346 V350 I365 E366	Y81-A368 CarbonylContact C-O 3.55Å; Y81-A368 VanDerWaalsContact CA-O 3.28Å; Y81-A368 WeakPolarHBondContact CA-O 3.44Å; Y81-A368 HydrophobicContact CD1-CB 3.71Å; Y81-A368 HydrophobicContact CE1-CB 4.28Å; Y81-A368 HydrophobicContact CG-CB 4.29Å; I82-A368 PolarHBondContact N-O 3.21Å; L302-A368 HydrophobicContact CB-CB 4.31Å; L302-A368 HydrophobicContact CD1-CB 4.4Å; M346-A368 HydrophobicContact CG-CB 4.43Å; M346-A368 HydrophobicContact SD-CB 4.04Å; V350-A368 HydrophobicContact CG2-CB 3.65Å; I365-A368 CarbonylContact O-C 3.4Å; I365-A368 PolarHBondContact O-N 3.04Å; E366-A368 PolarHBondContact O-N 3.01Å
369	T	98.9	Very high	98.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-75.3	-175	53.7	0	0	0	0	112	P79 Y81 I365 E366 P372 A373 G383	P79-T369 HydrophobicContact CB-CG2 3.97Å; P79-T369 WeakPolarHBondContact O-CG2 3.43Å; Y81-T369 HydrophobicContact CD1-CG2 3.76Å; Y81-T369 HydrophobicContact CE1-CG2 4.37Å; I365-T369 HydrophobicContact CG2-CG2 4.13Å; I365-T369 WeakPolarHBondContact O-CB 3.33Å; I365-T369 WeakPolarHBondContact O-CG2 3.3Å; I365-T369 PolarHBondContact O-N 2.89Å; I365-T369 VanDerWaalsContact O-N 3.09Å; I365-T369 PolarHBondContact O-OG1 2.82Å; E366-T369 VanDerWaalsContact CA-OG1 3.28Å; E366-T369 WeakPolarHBondContact CA-OG1 3.42Å; E366-T369 CarbonylContact O-C 3.57Å; E366-T369 PolarHBondContact O-N 2.76Å; T369-P372 WeakPolarHBondContact O-CD 3.3Å; T369-P372 WeakPolarHBondContact O-CG 3.5Å; T369-A373 WeakPolarHBondContact O-CB 3.49Å; T369-A373 PolarHBondContact O-N 3.25Å; T369-G383 WeakPolarHBondContact O-CA 3.37Å
370	L	98.8	Very high	98.5	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-50.8	-176.9	174.8	61.2	0	0	0	112.1	E366 A373 Q374 E379 G383 T384	E366-L370 HydrophobicContact CB-CB 4.11Å; E366-L370 HydrophobicContact CG-CB 4.13Å; E366-L370 HydrophobicContact CG-CD2 4.29Å; E366-L370 PolarHBondContact O-N 3.4Å; L370-A373 WeakPolarHBondContact O-CB 3.25Å; L370-A373 PolarHBondContact O-N 2.86Å; L370-A373 VanDerWaalsContact O-N 3.14Å; L370-Q374 HydrophobicContact CD1-CG 3.77Å; L370-Q374 HydrophobicContact CG-CG 4.22Å; L370-Q374 WeakPolarHBondContact O-CG 3.3Å; L370-Q374 PolarHBondContact O-N 3.35Å; L370-E379 HydrophobicContact CD1-CB 4.34Å; L370-G383 WeakPolarHBondContact CA-O 3.26Å; L370-G383 PolarHBondContact N-O 3.48Å; L370-T384 HydrophobicContact CD1-CG2 3.68Å
371	H	98.8	Very high	98.5	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-47.3	-176.2	-59.4	175.2	0	0	0	112.8	L300 I301 Y363 E366 A373 Q374 C375	L300-H371 WeakPolarHBondContact O-CB 3.45Å; L300-H371 PolarHBondContact O-ND1 3.14Å; I301-H371 HydrophobicContact CG1-CB 3.94Å; Y363-H371 AromaticContact CE2-CE1 3.79Å; E366-H371 PolarHBondContact O-N 2.9Å; H371-A373 VanDerWaalsContact C-N 3.3Å; H371-A373 PolarHBondContact O-N 2.95Å; H371-Q374 PolarHBondContact O-N 2.96Å; H371-C375 WeakPolarHBondContact O-CB 3.27Å; H371-C375 PolarHBondContact O-N 3.01Å
372	P	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-35.5	173.1	19.9	-29.4	0	0	0	113.1	I82 L84 I301 T369 C375 L376	I82-P372 HydrophobicContact CB-CB 4Å; I82-P372 HydrophobicContact CB-CG 3.83Å; I82-P372 HydrophobicContact CG2-CB 4.03Å; I82-P372 HydrophobicContact CG2-CG 4.42Å; L84-P372 HydrophobicContact CD1-CB 3.72Å; L84-P372 HydrophobicContact CD2-CB 4.07Å; L84-P372 HydrophobicContact CG-CB 3.71Å; I301-P372 HydrophobicContact CG2-CB 3.83Å; I301-P372 HydrophobicContact CG2-CG 4.19Å; T369-P372 WeakPolarHBondContact O-CD 3.3Å; T369-P372 WeakPolarHBondContact O-CG 3.5Å; P372-C375 PolarHBondContact O-N 3.13Å; P372-L376 PolarHBondContact O-N 3.12Å; P372-L376 VanDerWaalsContact O-N 3.13Å
373	A	98.7	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-43.9	175.1	0	0	0	0	0	112.3	I82 T369 L370 H371 L376 K377 I378 E379 K382	I82-A373 HydrophobicContact CD1-CB 3.83Å; T369-A373 WeakPolarHBondContact O-CB 3.49Å; T369-A373 PolarHBondContact O-N 3.25Å; L370-A373 WeakPolarHBondContact O-CB 3.25Å; L370-A373 PolarHBondContact O-N 2.86Å; L370-A373 VanDerWaalsContact O-N 3.14Å; H371-A373 VanDerWaalsContact C-N 3.3Å; H371-A373 PolarHBondContact O-N 2.95Å; A373-L376 CarbonylContact O-C 3.56Å; A373-L376 PolarHBondContact O-N 2.94Å; A373-K377 PolarHBondContact O-N 3.02Å; A373-I378 HydrophobicContact CB-CG1 3.97Å; A373-I378 WeakPolarHBondContact O-CG1 3.29Å; A373-I378 PolarHBondContact O-N 3.19Å; A373-E379 HydrophobicContact CB-CB 4.16Å; A373-K382 VanDerWaalsContact CB-O 3.27Å; A373-K382 WeakPolarHBondContact CB-O 3.3Å
374	Q	98.5	Very high	98.4	Very high	65 Å²	65	31.9 Å²	31.9	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-65.3	-39.3	176.6	-69.6	173.3	-37.1	0	0	111.9	Y274 L370 H371 L376 K377 E379	Y274-Q374 HydrophobicContact CE1-CB 4.3Å; Y274-Q374 VanDerWaalsContact OH-CB 3.27Å; Y274-Q374 WeakPolarHBondContact OH-CB 3.5Å; L370-Q374 HydrophobicContact CD1-CG 3.77Å; L370-Q374 HydrophobicContact CG-CG 4.22Å; L370-Q374 WeakPolarHBondContact O-CG 3.3Å; L370-Q374 PolarHBondContact O-N 3.35Å; H371-Q374 PolarHBondContact O-N 2.96Å; Q374-L376 VanDerWaalsContact C-N 3.28Å; Q374-L376 PolarHBondContact O-N 3.04Å; Q374-K377 PolarHBondContact O-N 3.34Å; Q374-K377 VanDerWaalsContact O-N 3.11Å; Q374-E379 HydrophobicContact CG-CB 3.85Å; Q374-E379 HydrophobicContact CG-CG 4.08Å
375	C	98.6	Very high	98.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-42.5	174.4	-179.1	0	0	0	0	111.8	L84 Y274 I301 H371 P372 K377	L84-C375 HydrophobicContact CD1-CB 4.41Å; Y274-C375 HydrophobicContact CD1-CB 4.06Å; Y274-C375 HydrophobicContact CD2-CB 3.72Å; Y274-C375 HydrophobicContact CE1-CB 4.36Å; Y274-C375 HydrophobicContact CE2-CB 4.04Å; Y274-C375 HydrophobicContact CG-CB 3.73Å; I301-C375 HydrophobicContact CD1-CB 3.57Å; H371-C375 WeakPolarHBondContact O-CB 3.27Å; H371-C375 PolarHBondContact O-N 3.01Å; P372-C375 PolarHBondContact O-N 3.13Å; C375-K377 VanDerWaalsContact C-N 3.33Å
376	L	98.5	Very high	98.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.2	178.3	-65.9	-166.3	0	0	0	114.6	L84 L150 K193 I194 P372 A373 Q374 I378	L84-L376 HydrophobicContact CD1-CG 4.36Å; L84-L376 HydrophobicContact CD2-CD1 3.45Å; L84-L376 VanDerWaalsContact CD2-CD1 3.45Å; L84-L376 HydrophobicContact CD2-CD2 4.48Å; L84-L376 HydrophobicContact CD2-CG 3.88Å; L150-L376 HydrophobicContact CB-CD1 4.37Å; L150-L376 HydrophobicContact CD1-CD1 3.85Å; K193-L376 HydrophobicContact CG-CD1 4.06Å; K193-L376 HydrophobicContact CG-CD2 4.02Å; K193-L376 PolarHBondContact NZ-O 2.93Å; I194-L376 HydrophobicContact CD1-CD2 3.97Å; I194-L376 HydrophobicContact CG1-CD2 3.85Å; P372-L376 PolarHBondContact O-N 3.12Å; P372-L376 VanDerWaalsContact O-N 3.13Å; A373-L376 CarbonylContact O-C 3.56Å; A373-L376 PolarHBondContact O-N 2.94Å; Q374-L376 VanDerWaalsContact C-N 3.28Å; Q374-L376 PolarHBondContact O-N 3.04Å; L376-I378 VanDerWaalsContact C-N 3.34Å; L376-I378 HydrophobicContact CB-CD1 4.25Å; L376-I378 HydrophobicContact CB-CG1 4.08Å; L376-I378 HydrophobicContact CB-CG2 4.38Å; L376-I378 HydrophobicContact CD1-CD1 4.39Å
377	K	97.8	Very high	98.3	Very high	150 Å²	150	39 Å²	39	65%	0.652	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	40.9	-176	-53.3	175.3	-175.4	171.3	0	113.1	A373 Q374 C375 E379	A373-K377 PolarHBondContact O-N 3.02Å; Q374-K377 PolarHBondContact O-N 3.34Å; Q374-K377 VanDerWaalsContact O-N 3.11Å; C375-K377 VanDerWaalsContact C-N 3.33Å; K377-E379 VanDerWaalsContact C-OE2 3.28Å; K377-E379 WeakPolarHBondContact CA-OE2 3.47Å
378	I	98.2	Very high	98.2	Very high	22 Å²	22	40.8 Å²	40.8	11%	0.113	20%	0.201	C	C	.	.			trans	-120.1	13	179.6	65.9	174.2	0	0	0	112.8	L150 A373 L376 K380 Q381 K382	L150-I378 HydrophobicContact CD1-CD1 3.79Å; L150-I378 HydrophobicContact CD2-CD1 3.92Å; L150-I378 HydrophobicContact CG-CD1 4.46Å; A373-I378 HydrophobicContact CB-CG1 3.97Å; A373-I378 WeakPolarHBondContact O-CG1 3.29Å; A373-I378 PolarHBondContact O-N 3.19Å; L376-I378 VanDerWaalsContact C-N 3.34Å; L376-I378 HydrophobicContact CB-CD1 4.25Å; L376-I378 HydrophobicContact CB-CG1 4.08Å; L376-I378 HydrophobicContact CB-CG2 4.38Å; L376-I378 HydrophobicContact CD1-CD1 4.39Å; I378-K380 PolarHBondContact O-N 3.05Å; I378-K380 VanDerWaalsContact O-N 3.09Å; I378-Q381 VanDerWaalsContact CA-OE1 3.31Å; I378-Q381 PolarHBondContact O-N 2.7Å; I378-Q381 PolarHBondContact O-OE1 3.14Å; I378-K382 HydrophobicContact CD1-CB 4.32Å; I378-K382 HydrophobicContact CD1-CD 4.41Å; I378-K382 PolarHBondContact O-N 3.37Å
379	E	97.6	Very high	98.1	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.9	-176.1	72.8	-72.5	170.9	0	0	113.9	L370 A373 Q374 K377 Q381 K382	L370-E379 HydrophobicContact CD1-CB 4.34Å; A373-E379 HydrophobicContact CB-CB 4.16Å; Q374-E379 HydrophobicContact CG-CB 3.85Å; Q374-E379 HydrophobicContact CG-CG 4.08Å; K377-E379 VanDerWaalsContact C-OE2 3.28Å; K377-E379 WeakPolarHBondContact CA-OE2 3.47Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-K382 CarbonylContact C-O 3.5Å; E379-K382 VanDerWaalsContact CA-O 3.27Å; E379-K382 WeakPolarHBondContact CA-O 3.26Å
380	K	97.1	Very high	98.1	Very high	169 Å²	169	42.4 Å²	42.4	74%	0.735	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.7	172.9	-64.1	-172.9	-179.9	-178.9	0	113.5	I378	I378-K380 PolarHBondContact O-N 3.05Å; I378-K380 VanDerWaalsContact O-N 3.09Å
381	Q	97.8	Very high	98.1	Very high	88 Å²	88	41.8 Å²	41.8	41%	0.411	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-35.9	179.1	-58.4	100.3	14.4	0	0	112.4	I378 E379 S389 D390	I378-Q381 VanDerWaalsContact CA-OE1 3.31Å; I378-Q381 PolarHBondContact O-N 2.7Å; I378-Q381 PolarHBondContact O-OE1 3.14Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; Q381-S389 WeakPolarHBondContact O-CB 3.49Å; Q381-D390 WeakPolarHBondContact O-CB 3.41Å; Q381-D390 PolarHBondContact O-N 3.16Å
382	K	98.4	Very high	98.1	Very high	35 Å²	35	41.9 Å²	41.9	15%	0.152	21%	0.207	C	C	.	.	S	Bend	trans	-138.6	164.4	-173.2	-60.4	-166.1	-177.1	-57.6	0	111.3	I82 L150 A373 I378 E379 T384 D390 D392	I82-K382 HydrophobicContact CD1-CB 4.14Å; L150-K382 HydrophobicContact CD2-CD 3.96Å; A373-K382 VanDerWaalsContact CB-O 3.27Å; A373-K382 WeakPolarHBondContact CB-O 3.3Å; I378-K382 HydrophobicContact CD1-CB 4.32Å; I378-K382 HydrophobicContact CD1-CD 4.41Å; I378-K382 PolarHBondContact O-N 3.37Å; E379-K382 CarbonylContact C-O 3.5Å; E379-K382 VanDerWaalsContact CA-O 3.27Å; E379-K382 WeakPolarHBondContact CA-O 3.26Å; K382-T384 VanDerWaalsContact C-N 3.26Å; K382-T384 PolarHBondContact O-N 2.88Å; K382-D390 IonicContact NZ-OD2 3.33Å; K382-D390 PolarHBondContact NZ-OD2 3.2Å; K382-D392 IonicContact NZ-OD2 2.69Å; K382-D392 PolarHBondContact NZ-OD2 3.45Å
383	G	98.2	Very high	98.1	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	82.2	-4.5	176.3	0	0	0	0	0	115.1	P79 T369 L370	P79-G383 WeakPolarHBondContact CG-O 3.46Å; T369-G383 WeakPolarHBondContact O-CA 3.37Å; L370-G383 WeakPolarHBondContact CA-O 3.26Å; L370-G383 PolarHBondContact N-O 3.48Å
384	T	98.3	Very high	98.1	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.123	21%	0.207	C	C	.	.	S	Bend	trans	-133	162.1	171.5	72	0	0	0	0	111.5	L370 K382 D386 S389	L370-T384 HydrophobicContact CD1-CG2 3.68Å; K382-T384 VanDerWaalsContact C-N 3.26Å; K382-T384 PolarHBondContact O-N 2.88Å; T384-D386 VanDerWaalsContact C-N 3.28Å; T384-D386 WeakPolarHBondContact CB-OD2 3.47Å; T384-D386 WeakPolarHBondContact OG1-CB 3.49Å; T384-D386 PolarHBondContact OG1-N 2.75Å; T384-D386 PolarHBondContact OG1-OD2 3.19Å; T384-S389 PolarHBondContact O-OG 2.85Å; T384-S389 VanDerWaalsContact O-OG 3.1Å
385	L	98.4	Very high	98.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.193	C	C	.	.			trans	-94.6	28.6	168.2	-60.1	-178	0	0	0	111.5	L34 V35 R36 I52 I77 P79 F393	L34-L385 HydrophobicContact CB-CD1 4.21Å; V35-L385 WeakPolarHBondContact O-CD1 3.48Å; R36-L385 VanDerWaalsContact CZ-O 3.22Å; R36-L385 PolarHBondContact NE-O 3.13Å; R36-L385 PolarHBondContact NH2-O 3.21Å; I52-L385 HydrophobicContact CD1-CB 4.06Å; I52-L385 HydrophobicContact CD1-CD2 3.64Å; I52-L385 HydrophobicContact CD1-CG 4.47Å; I77-L385 HydrophobicContact CG2-CD1 3.91Å; I77-L385 WeakPolarHBondContact O-CD1 3.07Å; P79-L385 HydrophobicContact CB-CD2 4.45Å; P79-L385 HydrophobicContact CG-CD2 4.21Å; P79-L385 HydrophobicContact CG-CG 3.99Å; L385-F393 HydrophobicContact CD2-CB 3.98Å
386	D	97.4	Very high	98.1	Very high	68 Å²	68	38.7 Å²	38.7	36%	0.364	19%	0.192	S	C	.	.			trans	-70.7	154.6	-178.5	-62.5	-26.5	0	0	0	111.6	T384 G388 S389	T384-D386 VanDerWaalsContact C-N 3.28Å; T384-D386 WeakPolarHBondContact CB-OD2 3.47Å; T384-D386 WeakPolarHBondContact OG1-CB 3.49Å; T384-D386 PolarHBondContact OG1-N 2.75Å; T384-D386 PolarHBondContact OG1-OD2 3.19Å; D386-G388 PolarHBondContact O-N 3.5Å; D386-S389 WeakPolarHBondContact O-CB 3.33Å; D386-S389 PolarHBondContact O-N 2.84Å; D386-S389 VanDerWaalsContact O-N 3.17Å; D386-S389 PolarHBondContact O-OG 3.3Å
387	F	97.3	Very high	98	Very high	100 Å²	100	39.8 Å²	39.8	44%	0.439	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	133.2	176.5	-56	-47.3	0	0	0	111	I52 V53 N54 S389	I52-F387 HydrophobicContact CG2-CD1 4.17Å; V53-F387 VanDerWaalsContact C-CD1 3.47Å; V53-F387 WeakPolarHBondContact O-CD1 3.28Å; V53-F387 WeakPolarHBondContact O-CE1 3.3Å; N54-F387 VanDerWaalsContact CA-CD1 3.49Å; N54-F387 HydrophobicContact CB-CB 4.32Å; N54-F387 HydrophobicContact CB-CD1 3.98Å; N54-F387 HydrophobicContact CB-CD2 3.68Å; N54-F387 HydrophobicContact CB-CE1 4.17Å; N54-F387 HydrophobicContact CB-CE2 3.87Å; N54-F387 HydrophobicContact CB-CG 3.74Å; N54-F387 HydrophobicContact CB-CZ 4.11Å; F387-S389 VanDerWaalsContact C-N 3.34Å
388	G	96.8	Very high	98	Very high	39 Å²	39	36.8 Å²	36.8	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-16	-176.1	0	0	0	0	0	114.5	R51 I52 D386	R51-G388 PolarHBondContact NH1-O 2.86Å; I52-G388 PolarHBondContact O-N 3.19Å; D386-G388 PolarHBondContact O-N 3.5Å
389	S	97.8	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-67	159	175.5	76.6	0	0	0	0	110.8	R51 I52 Q381 T384 D386 F387	R51-S389 CarbonylContact C-O 3.58Å; R51-S389 VanDerWaalsContact CA-O 3.31Å; R51-S389 WeakPolarHBondContact CA-O 3.36Å; I52-S389 WeakPolarHBondContact CD1-OG 3.39Å; I52-S389 PolarHBondContact N-O 2.93Å; Q381-S389 WeakPolarHBondContact O-CB 3.49Å; T384-S389 PolarHBondContact O-OG 2.85Å; T384-S389 VanDerWaalsContact O-OG 3.1Å; D386-S389 WeakPolarHBondContact O-CB 3.33Å; D386-S389 PolarHBondContact O-N 2.84Å; D386-S389 VanDerWaalsContact O-N 3.17Å; D386-S389 PolarHBondContact O-OG 3.3Å; F387-S389 VanDerWaalsContact C-N 3.34Å
390	D	98.1	Very high	98	Very high	33 Å²	33	38 Å²	38	18%	0.176	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-62.8	139.1	175.8	-62.6	-16.8	0	0	0	108.9	R51 Q381 K382 D392	R51-D390 IonicContact CZ-OD1 3.27Å; R51-D390 IonicContact NH1-OD1 3.37Å; R51-D390 PolarHBondContact NH1-OD1 2.75Å; R51-D390 IonicContact NH2-OD1 3.43Å; Q381-D390 WeakPolarHBondContact O-CB 3.41Å; Q381-D390 PolarHBondContact O-N 3.16Å; K382-D390 IonicContact NZ-OD2 3.33Å; K382-D390 PolarHBondContact NZ-OD2 3.2Å; D390-D392 PolarHBondContact O-N 2.73Å
391	A	98.3	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.			trans	-77.7	55.5	178.5	0	0	0	0	0	111.5	V47 G50 I52 F393 A408 G409	V47-A391 HydrophobicContact CB-CB 4.33Å; V47-A391 HydrophobicContact CG1-CB 3.48Å; V47-A391 VanDerWaalsContact CG1-CB 3.48Å; V47-A391 HydrophobicContact CG2-CB 3.87Å; G50-A391 WeakPolarHBondContact O-CB 3.4Å; G50-A391 PolarHBondContact O-N 3.5Å; I52-A391 HydrophobicContact CG1-CB 4.2Å; A391-F393 HydrophobicContact CB-CD1 4.4Å; A391-F393 HydrophobicContact CB-CE1 4.18Å; A391-F393 WeakPolarHBondContact O-CD1 3.46Å; A391-A408 PolarHBondContact O-N 2.86Å; A391-G409 PolarHBondContact O-N 3.43Å
392	D	98.6	Very high	98	Very high	14 Å²	14	32.4 Å²	32.4	8%	0.075	17%	0.166	C	C	.	.			trans	-101.6	102.8	174.8	-68.2	-7.3	0	0	0	108.4	G80 T118 K382 D390 W406 I407 A408	G80-D392 PolarHBondContact N-O 3.5Å; T118-D392 HydrophobicContact CG2-CB 4.22Å; K382-D392 IonicContact NZ-OD2 2.69Å; K382-D392 PolarHBondContact NZ-OD2 3.45Å; D390-D392 PolarHBondContact O-N 2.73Å; D392-W406 WeakPolarHBondContact CA-O 3.39Å; D392-I407 WeakPolarHBondContact OD1-CA 3.4Å; D392-A408 PolarHBondContact OD1-N 3.41Å
393	F	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.5	-172.6	61.9	-90.4	0	0	0	112.5	F29 L45 V47 I77 A78 L385 A391 L395 W406	F29-F393 HydrophobicContact CD1-CE2 4.33Å; F29-F393 HydrophobicContact CD1-CZ 4.46Å; F29-F393 HydrophobicContact CD2-CZ 4.36Å; F29-F393 AromaticContact CE1-CE2 3.9Å; F29-F393 HydrophobicContact CE1-CE2 3.9Å; F29-F393 AromaticContact CE1-CZ 3.82Å; F29-F393 HydrophobicContact CE1-CZ 3.82Å; F29-F393 HydrophobicContact CE2-CE2 4.48Å; F29-F393 AromaticContact CE2-CZ 3.73Å; F29-F393 HydrophobicContact CE2-CZ 3.73Å; F29-F393 HydrophobicContact CZ-CE2 4.02Å; F29-F393 AromaticContact CZ-CZ 3.44Å; F29-F393 HydrophobicContact CZ-CZ 3.44Å; F29-F393 VanDerWaalsContact CZ-CZ 3.44Å; L45-F393 HydrophobicContact CD2-CD1 3.87Å; L45-F393 HydrophobicContact CD2-CD2 4.33Å; L45-F393 HydrophobicContact CD2-CE1 3.85Å; L45-F393 HydrophobicContact CD2-CE2 4.29Å; L45-F393 HydrophobicContact CD2-CG 4.13Å; L45-F393 HydrophobicContact CD2-CZ 4.06Å; V47-F393 HydrophobicContact CG2-CE1 4.07Å; I77-F393 HydrophobicContact CG2-CB 4.12Å; I77-F393 HydrophobicContact CG2-CD2 3.76Å; I77-F393 HydrophobicContact CG2-CG 4.14Å; A78-F393 CarbonylContact O-C 3.53Å; A78-F393 VanDerWaalsContact O-CA 3.23Å; A78-F393 WeakPolarHBondContact O-CA 3.32Å; A78-F393 WeakPolarHBondContact O-CB 3.46Å; L385-F393 HydrophobicContact CD2-CB 3.98Å; A391-F393 HydrophobicContact CB-CD1 4.4Å; A391-F393 HydrophobicContact CB-CE1 4.18Å; A391-F393 WeakPolarHBondContact O-CD1 3.46Å; F393-L395 HydrophobicContact CD2-CD1 3.84Å; F393-L395 HydrophobicContact CE2-CD1 3.7Å; F393-W406 HydrophobicContact CD1-CB 4.06Å; F393-W406 HydrophobicContact CD2-CB 3.98Å; F393-W406 AromaticContact CD2-CD1 3.99Å; F393-W406 HydrophobicContact CD2-CG 4.05Å; F393-W406 HydrophobicContact CE1-CB 3.72Å; F393-W406 HydrophobicContact CE1-CG 4.22Å; F393-W406 HydrophobicContact CE2-CB 3.65Å; F393-W406 AromaticContact CE2-CD1 3.48Å; F393-W406 VanDerWaalsContact CE2-CD1 3.48Å; F393-W406 AromaticContact CE2-CD2 3.9Å; F393-W406 HydrophobicContact CE2-CD2 3.9Å; F393-W406 AromaticContact CE2-CG 3.38Å; F393-W406 HydrophobicContact CE2-CG 3.38Å; F393-W406 HydrophobicContact CG-CB 4.17Å; F393-W406 HydrophobicContact CZ-CB 3.49Å; F393-W406 VanDerWaalsContact CZ-CB 3.49Å; F393-W406 AromaticContact CZ-CD2 3.72Å; F393-W406 HydrophobicContact CZ-CD2 3.72Å; F393-W406 HydrophobicContact CZ-CE3 4.04Å; F393-W406 AromaticContact CZ-CG 3.47Å; F393-W406 HydrophobicContact CZ-CG 3.47Å; F393-W406 VanDerWaalsContact CZ-CG 3.47Å; F393-W406 PolarHBondContact N-O 3.31Å; F393-W406 WeakPolarHBondContact O-CB 3.48Å; F393-W406 PolarHBondContact O-N 3.32Å
394	V	98.8	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.1	176.5	-67.4	0	0	0	0	110.2	I77 A78 G116 L396 S404 T405	I77-V394 WeakPolarHBondContact CA-O 3.48Å; A78-V394 HydrophobicContact CB-CG2 3.96Å; A78-V394 PolarHBondContact N-O 3.04Å; A78-V394 PolarHBondContact O-N 3.03Å; G116-V394 VanDerWaalsContact CA-CG1 3.46Å; G116-V394 VanDerWaalsContact O-CG1 3.23Å; G116-V394 WeakPolarHBondContact O-CG1 3.41Å; V394-L396 HydrophobicContact CB-CD2 4.17Å; V394-L396 HydrophobicContact CG2-CD1 4.2Å; V394-L396 HydrophobicContact CG2-CD2 3.85Å; V394-L396 HydrophobicContact CG2-CG 3.92Å; V394-S404 WeakPolarHBondContact CA-O 3.12Å; V394-T405 HydrophobicContact CG1-CG2 4.11Å
395	L	98.7	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	163.3	-83.2	62.4	0	0	0	107.9	V3 C72 A75 I76 I77 F393 L403 S404	V3-L395 HydrophobicContact CG2-CD2 4.1Å; C72-L395 HydrophobicContact CB-CD2 4.24Å; A75-L395 HydrophobicContact CB-CB 4.31Å; A75-L395 HydrophobicContact CB-CD2 4.43Å; A75-L395 HydrophobicContact CB-CG 4.34Å; I76-L395 CarbonylContact O-C 3.54Å; I76-L395 VanDerWaalsContact O-CA 3.32Å; I76-L395 WeakPolarHBondContact O-CA 3.43Å; I77-L395 HydrophobicContact CD1-CD1 4.34Å; I77-L395 HydrophobicContact CG1-CD1 3.97Å; I77-L395 HydrophobicContact CG1-CG 4.08Å; F393-L395 HydrophobicContact CD2-CD1 3.84Å; F393-L395 HydrophobicContact CE2-CD1 3.7Å; L395-L403 HydrophobicContact CB-CB 4.19Å; L395-L403 WeakPolarHBondContact O-CB 3.46Å; L395-L403 PolarHBondContact O-N 3.02Å; L395-S404 PolarHBondContact N-O 3.17Å; L395-S404 PolarHBondContact O-N 3.43Å
396	L	98.6	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.6	-178.8	-52.6	174.1	0	0	0	111.1	A75 I76 A78 Y81 I365 V394 L400 R401 V402	A75-L396 WeakPolarHBondContact CB-O 3.39Å; I76-L396 HydrophobicContact CB-CB 4.27Å; I76-L396 PolarHBondContact N-O 2.88Å; I76-L396 PolarHBondContact O-N 3.46Å; A78-L396 HydrophobicContact CB-CD1 4.21Å; Y81-L396 WeakPolarHBondContact OH-CD1 3.46Å; I365-L396 HydrophobicContact CD1-CD1 3.99Å; I365-L396 HydrophobicContact CG1-CD1 4.38Å; V394-L396 HydrophobicContact CB-CD2 4.17Å; V394-L396 HydrophobicContact CG2-CD1 4.2Å; V394-L396 HydrophobicContact CG2-CD2 3.85Å; V394-L396 HydrophobicContact CG2-CG 3.92Å; L396-L400 HydrophobicContact CD1-CD2 4.28Å; L396-R401 VanDerWaalsContact CA-O 3.29Å; L396-R401 WeakPolarHBondContact CA-O 3.49Å; L396-V402 HydrophobicContact CD2-CB 4.45Å; L396-V402 HydrophobicContact CD2-CG2 3.9Å
397	D	97.8	Very high	98	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.144	15%	0.149	C	C	.	.			trans	-78.4	176.1	162.6	74	11	0	0	0	111.8	Q399 L400 R401 L403	D397-Q399 PolarHBondContact O-N 3.12Å; D397-Q399 VanDerWaalsContact O-N 3.13Å; D397-Q399 VanDerWaalsContact OD1-C 3.22Å; D397-Q399 VanDerWaalsContact OD1-CA 3.29Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.19Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.49Å; D397-Q399 PolarHBondContact OD1-N 3.39Å; D397-L400 PolarHBondContact O-N 2.86Å; D397-L400 PolarHBondContact OD1-N 2.79Å; D397-R401 PolarHBondContact N-O 3.06Å; D397-R401 WeakPolarHBondContact OD1-CB 3.24Å; D397-R401 PolarHBondContact OD1-N 2.79Å; D397-R401 WeakPolarHBondContact OD2-CB 3.4Å; D397-R401 IonicContact OD2-NH1 2.7Å; D397-R401 PolarHBondContact OD2-NH1 3.39Å; D397-L403 HydrophobicContact CB-CD1 4.4Å; D397-L403 HydrophobicContact CB-CD2 4.32Å; D397-L403 HydrophobicContact CB-CG 4.46Å
398	D	97	Very high	98	Very high	86 Å²	86	27.1 Å²	27.1	46%	0.46	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.3	178.6	-73.8	-41.2	0	0	0	114.1	R33	R33-D398 IonicContact CZ-OD1 2.87Å; R33-D398 IonicContact NH1-OD1 3.5Å; R33-D398 PolarHBondContact NH1-OD1 2.99Å; R33-D398 IonicContact NH2-OD1 2.7Å; R33-D398 PolarHBondContact NH2-OD1 2.93Å; R33-D398 IonicContact NH2-OD2 3.77Å
399	Q	97.1	Very high	97.9	Very high	106 Å²	106	25.6 Å²	25.6	50%	0.495	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.6	174.6	-66.1	78.9	58	0	0	111.8	R351 D397 R401	R351-Q399 WeakPolarHBondContact CD-O 3.15Å; R351-Q399 WeakPolarHBondContact CG-O 3.37Å; D397-Q399 PolarHBondContact O-N 3.12Å; D397-Q399 VanDerWaalsContact O-N 3.13Å; D397-Q399 VanDerWaalsContact OD1-C 3.22Å; D397-Q399 VanDerWaalsContact OD1-CA 3.29Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.19Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.49Å; D397-Q399 PolarHBondContact OD1-N 3.39Å; Q399-R401 HydrophobicContact CB-CG 4.47Å; Q399-R401 VanDerWaalsContact CB-NH1 3.34Å; Q399-R401 PolarHBondContact O-N 2.93Å
400	L	97.9	Very high	97.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.153	C	C	.	.			trans	59.6	31.1	-179.3	-44	-178	0	0	0	113.3	I76 V350 R351 V361 I365 L396 D397	I76-L400 HydrophobicContact CD1-CD2 4.29Å; V350-L400 HydrophobicContact CG1-CD1 4.02Å; R351-L400 HydrophobicContact CG-CB 3.98Å; R351-L400 PolarHBondContact NH1-O 2.9Å; R351-L400 VanDerWaalsContact NH1-O 3.12Å; V361-L400 HydrophobicContact CG1-CD1 4.32Å; V361-L400 HydrophobicContact CG1-CD2 3.57Å; V361-L400 HydrophobicContact CG2-CD2 4.49Å; I365-L400 HydrophobicContact CD1-CD2 4.3Å; L396-L400 HydrophobicContact CD1-CD2 4.28Å; D397-L400 PolarHBondContact O-N 2.86Å; D397-L400 PolarHBondContact OD1-N 2.79Å
401	R	98	Very high	97.8	Very high	129 Å²	129	29.7 Å²	29.7	49%	0.487	16%	0.159	S	C	.	.			trans	-84.5	138.3	166.8	-55.5	-173.4	-178.9	89.8	0.9	109.5	L396 D397 Q399 L403	L396-R401 VanDerWaalsContact CA-O 3.29Å; L396-R401 WeakPolarHBondContact CA-O 3.49Å; D397-R401 PolarHBondContact N-O 3.06Å; D397-R401 WeakPolarHBondContact OD1-CB 3.24Å; D397-R401 PolarHBondContact OD1-N 2.79Å; D397-R401 WeakPolarHBondContact OD2-CB 3.4Å; D397-R401 IonicContact OD2-NH1 2.7Å; D397-R401 PolarHBondContact OD2-NH1 3.39Å; Q399-R401 HydrophobicContact CB-CG 4.47Å; Q399-R401 VanDerWaalsContact CB-NH1 3.34Å; Q399-R401 PolarHBondContact O-N 2.93Å; R401-L403 PolarHBondContact O-N 2.88Å
402	V	98.2	Very high	97.7	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.3	177.3	-179.7	0	0	0	0	109.8	Y81 D347 L396 T415	Y81-V402 HydrophobicContact CE2-CG2 4.46Å; D347-V402 HydrophobicContact CB-CG2 3.88Å; L396-V402 HydrophobicContact CD2-CB 4.45Å; L396-V402 HydrophobicContact CD2-CG2 3.9Å; V402-T415 PolarHBondContact O-OG1 2.07Å
403	L	98.2	Very high	97.7	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-39	172.3	-60.1	176.3	0	0	0	111.1	A75 L395 D397 R401 T415	A75-L403 HydrophobicContact CB-CD1 3.93Å; L395-L403 HydrophobicContact CB-CB 4.19Å; L395-L403 WeakPolarHBondContact O-CB 3.46Å; L395-L403 PolarHBondContact O-N 3.02Å; D397-L403 HydrophobicContact CB-CD1 4.4Å; D397-L403 HydrophobicContact CB-CD2 4.32Å; D397-L403 HydrophobicContact CB-CG 4.46Å; R401-L403 PolarHBondContact O-N 2.88Å; L403-T415 PolarHBondContact O-N 3.36Å; L403-T415 PolarHBondContact O-OG1 2.93Å
404	S	98.2	Very high	97.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	151.7	174.4	62.2	0	0	0	0	111.4	V394 L395 W406 H413	V394-S404 WeakPolarHBondContact CA-O 3.12Å; L395-S404 PolarHBondContact N-O 3.17Å; L395-S404 PolarHBondContact O-N 3.43Å; S404-W406 PolarHBondContact OG-NE1 2.84Å; S404-H413 CarbonylContact C-O 3.53Å; S404-H413 WeakPolarHBondContact CA-O 3.32Å; S404-H413 WeakPolarHBondContact CB-O 3.2Å
405	T	98.6	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.4	177.6	-51.6	0	0	0	0	109.2	V113 T118 V394 V412 H413	V113-T405 HydrophobicContact CB-CG2 4.19Å; V113-T405 VanDerWaalsContact O-CB 3.29Å; V113-T405 WeakPolarHBondContact O-CB 3.15Å; V113-T405 PolarHBondContact O-OG1 3.3Å; T118-T405 HydrophobicContact CG2-CG2 3.62Å; V394-T405 HydrophobicContact CG1-CG2 4.11Å; T405-V412 HydrophobicContact CG2-CG2 4.1Å; T405-V412 VanDerWaalsContact O-CG2 3.3Å; T405-V412 WeakPolarHBondContact O-CG2 3.16Å; T405-V412 PolarHBondContact O-N 3.3Å; T405-H413 PolarHBondContact N-O 3.42Å; T405-H413 PolarHBondContact O-N 3.02Å
406	W	98.3	Very high	96	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.045	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134	-176	-64.4	73.2	0	0	0	109.5	F29 I70 D392 F393 S404 G409 V410 C411	F29-W406 HydrophobicContact CE1-CD2 4.13Å; F29-W406 AromaticContact CE1-CE2 3.8Å; F29-W406 HydrophobicContact CE1-CE3 4.22Å; F29-W406 AromaticContact CE1-CH2 3.76Å; F29-W406 HydrophobicContact CE1-CH2 3.76Å; F29-W406 AromaticContact CE1-CZ2 3.62Å; F29-W406 HydrophobicContact CE1-CZ2 3.62Å; F29-W406 HydrophobicContact CE1-CZ3 4.05Å; F29-W406 HydrophobicContact CZ-CD2 4.07Å; F29-W406 AromaticContact CZ-CE3 3.74Å; F29-W406 HydrophobicContact CZ-CE3 3.74Å; F29-W406 AromaticContact CZ-CH2 3.77Å; F29-W406 HydrophobicContact CZ-CH2 3.77Å; F29-W406 HydrophobicContact CZ-CZ2 4.05Å; F29-W406 AromaticContact CZ-CZ3 3.6Å; F29-W406 HydrophobicContact CZ-CZ3 3.6Å; I70-W406 HydrophobicContact CD1-CH2 3.54Å; I70-W406 HydrophobicContact CD1-CZ2 4.22Å; I70-W406 HydrophobicContact CD1-CZ3 4.19Å; D392-W406 WeakPolarHBondContact CA-O 3.39Å; F393-W406 HydrophobicContact CD1-CB 4.06Å; F393-W406 HydrophobicContact CD2-CB 3.98Å; F393-W406 AromaticContact CD2-CD1 3.99Å; F393-W406 HydrophobicContact CD2-CG 4.05Å; F393-W406 HydrophobicContact CE1-CB 3.72Å; F393-W406 HydrophobicContact CE1-CG 4.22Å; F393-W406 HydrophobicContact CE2-CB 3.65Å; F393-W406 AromaticContact CE2-CD1 3.48Å; F393-W406 VanDerWaalsContact CE2-CD1 3.48Å; F393-W406 AromaticContact CE2-CD2 3.9Å; F393-W406 HydrophobicContact CE2-CD2 3.9Å; F393-W406 AromaticContact CE2-CG 3.38Å; F393-W406 HydrophobicContact CE2-CG 3.38Å; F393-W406 HydrophobicContact CG-CB 4.17Å; F393-W406 HydrophobicContact CZ-CB 3.49Å; F393-W406 VanDerWaalsContact CZ-CB 3.49Å; F393-W406 AromaticContact CZ-CD2 3.72Å; F393-W406 HydrophobicContact CZ-CD2 3.72Å; F393-W406 HydrophobicContact CZ-CE3 4.04Å; F393-W406 AromaticContact CZ-CG 3.47Å; F393-W406 HydrophobicContact CZ-CG 3.47Å; F393-W406 VanDerWaalsContact CZ-CG 3.47Å; F393-W406 PolarHBondContact N-O 3.31Å; F393-W406 WeakPolarHBondContact O-CB 3.48Å; F393-W406 PolarHBondContact O-N 3.32Å; S404-W406 PolarHBondContact OG-NE1 2.84Å; W406-G409 VanDerWaalsContact CE3-O 3.23Å; W406-G409 WeakPolarHBondContact CZ3-O 3.44Å; W406-V410 CarbonylContact C-O 3.59Å; W406-V410 VanDerWaalsContact CA-O 3.25Å; W406-V410 WeakPolarHBondContact CA-O 2.96Å; W406-V410 VanDerWaalsContact CE3-C 3.46Å; W406-C411 HydrophobicContact CD2-CB 3.91Å; W406-C411 HydrophobicContact CE3-CB 3.93Å; W406-C411 HydrophobicContact CH2-CB 3.66Å; W406-C411 HydrophobicContact CZ2-CB 3.63Å; W406-C411 HydrophobicContact CZ3-CB 3.81Å
407	I	97.7	Very high	94	Very high	32 Å²	32	56 Å²	56	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.1	176.1	-64.7	179.1	0	0	0	107.4	V113 T118 G146 D392 G409 V410 V412	V113-I407 HydrophobicContact CG1-CD1 3.9Å; T118-I407 HydrophobicContact CG2-CG1 3.92Å; G146-I407 WeakPolarHBondContact O-CD1 3.43Å; D392-I407 WeakPolarHBondContact OD1-CA 3.4Å; I407-G409 PolarHBondContact O-N 3.01Å; I407-G409 VanDerWaalsContact O-N 3.14Å; I407-V410 PolarHBondContact N-O 3.46Å; I407-V410 WeakPolarHBondContact O-CB 3.28Å; I407-V410 PolarHBondContact O-N 3.25Å; I407-V412 HydrophobicContact CB-CG1 4.14Å; I407-V412 HydrophobicContact CB-CG2 4.41Å; I407-V412 HydrophobicContact CD1-CG1 4.46Å; I407-V412 HydrophobicContact CD1-CG2 3.9Å; I407-V412 HydrophobicContact CG1-CG1 4.43Å; I407-V412 HydrophobicContact CG1-CG2 3.86Å
408	A	96.1	Very high	93.8	Very high	49 Å²	49	57.5 Å²	57.5	41%	0.405	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	41.3	-173.5	0	0	0	0	0	112.5	G50 A391 D392 V410	G50-A408 WeakPolarHBondContact CA-O 3.21Å; A391-A408 PolarHBondContact O-N 2.86Å; D392-A408 PolarHBondContact OD1-N 3.41Å; A408-V410 PolarHBondContact O-N 2.88Å
409	G	95.5	Very high	93.6	Very high	6 Å²	6	55.9 Å²	55.9	6%	0.062	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.4	179.6	0	0	0	0	0	115.3	L27 A391 W406 I407	L27-G409 WeakPolarHBondContact CD1-O 3.07Å; A391-G409 PolarHBondContact O-N 3.43Å; W406-G409 VanDerWaalsContact CE3-O 3.23Å; W406-G409 WeakPolarHBondContact CZ3-O 3.44Å; I407-G409 PolarHBondContact O-N 3.01Å; I407-G409 VanDerWaalsContact O-N 3.14Å
410	V	96	Very high	93.4	Very high	76 Å²	76	53.2 Å²	53.2	46%	0.461	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.9	177.3	-178.8	0	0	0	0	110.2	W406 I407 A408 V412	W406-V410 CarbonylContact C-O 3.59Å; W406-V410 VanDerWaalsContact CA-O 3.25Å; W406-V410 WeakPolarHBondContact CA-O 2.96Å; W406-V410 VanDerWaalsContact CE3-C 3.46Å; I407-V410 PolarHBondContact N-O 3.46Å; I407-V410 WeakPolarHBondContact O-CB 3.28Å; I407-V410 PolarHBondContact O-N 3.25Å; A408-V410 PolarHBondContact O-N 2.88Å; V410-V412 PolarHBondContact O-N 2.9Å; V410-V412 VanDerWaalsContact O-N 3.14Å
411	C	96.8	Very high	93.1	Very high	45 Å²	45	56.1 Å²	56.1	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	109.5	175.4	-167.2	0	0	0	0	109.7	W406 H413	W406-C411 HydrophobicContact CD2-CB 3.91Å; W406-C411 HydrophobicContact CE3-CB 3.93Å; W406-C411 HydrophobicContact CH2-CB 3.66Å; W406-C411 HydrophobicContact CZ2-CB 3.63Å; W406-C411 HydrophobicContact CZ3-CB 3.81Å; C411-H413 PolarHBondContact SG-O 3.38Å; C411-H413 VanDerWaalsContact SG-O 3.39Å
412	V	97.3	Very high	92.8	Very high	31 Å²	31	51.5 Å²	51.5	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-22.6	179.7	-65.8	0	0	0	0	112.6	V113 K145 T405 I407 V410	V113-V412 HydrophobicContact CB-CG2 3.96Å; V113-V412 HydrophobicContact CG1-CG2 3.81Å; V113-V412 HydrophobicContact CG2-CG2 4.42Å; K145-V412 HydrophobicContact CB-CG1 4.39Å; T405-V412 HydrophobicContact CG2-CG2 4.1Å; T405-V412 VanDerWaalsContact O-CG2 3.3Å; T405-V412 WeakPolarHBondContact O-CG2 3.16Å; T405-V412 PolarHBondContact O-N 3.3Å; I407-V412 HydrophobicContact CB-CG1 4.14Å; I407-V412 HydrophobicContact CB-CG2 4.41Å; I407-V412 HydrophobicContact CD1-CG1 4.46Å; I407-V412 HydrophobicContact CD1-CG2 3.9Å; I407-V412 HydrophobicContact CG1-CG1 4.43Å; I407-V412 HydrophobicContact CG1-CG2 3.86Å; V410-V412 PolarHBondContact O-N 2.9Å; V410-V412 VanDerWaalsContact O-N 3.14Å
413	H	97.4	Very high	92.5	Very high	40 Å²	40	54.2 Å²	54.2	19%	0.185	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.1	173.4	179.5	66.5	0	0	0	111.1	V113 S404 T405 C411	V113-H413 HydrophobicContact CB-CB 4.24Å; V113-H413 HydrophobicContact CG2-CB 3.98Å; S404-H413 CarbonylContact C-O 3.53Å; S404-H413 WeakPolarHBondContact CA-O 3.32Å; S404-H413 WeakPolarHBondContact CB-O 3.2Å; T405-H413 PolarHBondContact N-O 3.42Å; T405-H413 PolarHBondContact O-N 3.02Å; C411-H413 PolarHBondContact SG-O 3.38Å; C411-H413 VanDerWaalsContact SG-O 3.39Å
414	R	95.8	Very high	92.1	Very high	94 Å²	94	56.2 Å²	56.2	36%	0.355	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.4	169.7	-178.3	177.2	-70	-165.6	-4.4	108.9	V416	R414-V416 PolarHBondContact O-N 3.39Å
415	T	90.3	Very high	91.6	Very high	65 Å²	65	60.5 Å²	60.5	40%	0.399	33%	0.328	S	S	.	.			trans	-73.1	124.8	175.2	-44.1	0	0	0	0	108.9	V402 L403	V402-T415 PolarHBondContact O-OG1 2.07Å; L403-T415 PolarHBondContact O-N 3.36Å; L403-T415 PolarHBondContact O-OG1 2.93Å
416	V	74.5	Confident	91	Very high	137 Å²	137	65.5 Å²	65.5	83%	0.83	36%	0.355	S	S	*	.			trans	-79.1	123.5	171.4	-172.7	0	0	0	0	106.9	R414	R414-V416 PolarHBondContact O-N 3.39Å
417	K	56.7	Low	90.4	Very high	199 Å²	199	70.4 Å²	70.4	87%	0.865	38%	0.383	S	S	*	.			trans	-78.8	0	172	-80.5	-168.9	-179.1	-118.2	0	111.5

Retrieved 417 of 417 residues in 173.5 ms (Link to these results)

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