A0A087Y895_POEFO Loading...

Vasohibin 1

AlphaFold DB , UniProt , Accession A0A087Y895, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	30.8	Very low	246 Å²	246	152.8 Å²	152.8	100%	1.212	86%	0.864	S	S	*	*				0	97.4	0	-71.9	-175	-172.8	0	0	108
2	L	29.4	Very low	30.9	Very low	183 Å²	183	156.9 Å²	156.9	96%	0.958	86%	0.855	S	S	*	*			trans	-108.7	120.7	178.4	-83.1	153.3	0	0	0	107.5
3	R	28.4	Very low	31.3	Very low	253 Å²	253	155.9 Å²	155.9	96%	0.955	85%	0.849	S	S	*	*			trans	-91.7	110.4	-178.9	-135.7	179.2	-175	-175.6	0.8	107.4
4	A	28.9	Very low	31.6	Very low	92 Å²	92	156.6 Å²	156.6	76%	0.76	84%	0.844	S	S	*	*			trans	-85.8	123.7	173.1	0	0	0	0	0	109.7
5	T	32.6	Very low	32	Very low	140 Å²	140	154.6 Å²	154.6	86%	0.859	83%	0.827	S	S	*	*			trans	-69.5	119.6	167.8	45.6	0	0	0	0	109.5
6	V	32.4	Very low	32	Very low	144 Å²	144	152.5 Å²	152.5	87%	0.873	82%	0.815	S	S	*	*			trans	-88.5	112.8	172.5	-178.3	0	0	0	0	107.6
7	G	27.2	Very low	32.4	Very low	66 Å²	66	152.4 Å²	152.4	68%	0.68	81%	0.809	S	S	*	*			trans	-69.7	142.8	174.3	0	0	0	0	0	111.4	A9	G7-A9 PolarHBondContact O-N 2.82Å
8	S	28.8	Very low	32.5	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	80%	0.797	S	S	*	*			trans	-64.1	118.2	173	60	0	0	0	0	109.5	E10	S8-E10 PolarHBondContact O-N 2.9Å
9	A	30.6	Very low	32.5	Very low	94 Å²	94	148.4 Å²	148.4	78%	0.777	80%	0.797	S	S	*	*			trans	-70	113.4	166.1	0	0	0	0	0	108	G7 E11	G7-A9 PolarHBondContact O-N 2.82Å; A9-E11 PolarHBondContact O-N 2.93Å; A9-E11 VanDerWaalsContact O-N 3.13Å
10	E	30.3	Very low	32.5	Very low	171 Å²	171	150 Å²	150	80%	0.799	80%	0.799	S	S	*	*			trans	-62.4	105.1	163.3	-66.4	174	153.8	0	0	107.6	S8 R12	S8-E10 PolarHBondContact O-N 2.9Å; E10-R12 PolarHBondContact O-N 3.45Å
11	E	31.5	Very low	32.9	Very low	178 Å²	178	149.7 Å²	149.7	83%	0.832	79%	0.793	S	S	*	*			trans	-65.3	103.4	165.4	-77.4	-179.3	161.6	0	0	107.5	A9 D13	A9-E11 PolarHBondContact O-N 2.93Å; A9-E11 VanDerWaalsContact O-N 3.13Å; E11-D13 PolarHBondContact O-N 3.32Å
12	R	32.1	Very low	33.2	Very low	202 Å²	202	141.7 Å²	141.7	76%	0.762	76%	0.755	S	S	*	*			trans	-70.7	104.1	167.5	-85.4	176.3	-99.3	-155.4	-7.7	107.8	E10 E14	E10-R12 PolarHBondContact O-N 3.45Å; R12-E14 PolarHBondContact O-N 3.38Å
13	D	35.9	Very low	34.2	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	75%	0.748	S	S	*	*			trans	-68.1	74.4	164	-80	-24.7	0	0	0	109.4	E11 E15	E11-D13 PolarHBondContact O-N 3.32Å; D13-E15 PolarHBondContact O-N 3.08Å
14	E	35	Very low	35.4	Very low	166 Å²	166	133 Å²	133	78%	0.776	71%	0.713	S	S	*	*			trans	-80.5	76	157.4	-73	179.3	-174.1	0	0	107.1	R12 D16	R12-E14 PolarHBondContact O-N 3.38Å; E14-D16 PolarHBondContact O-N 2.79Å
15	E	37.8	Very low	36.7	Very low	126 Å²	126	129.2 Å²	129.2	59%	0.589	68%	0.682	S	S	*	*			trans	-65	102.4	165	-78.8	-174.6	168.8	0	0	107.4	D13 E17	D13-E15 PolarHBondContact O-N 3.08Å; E15-E17 PolarHBondContact O-N 3.11Å
16	D	32	Very low	37.9	Very low	121 Å²	121	125 Å²	125	65%	0.647	67%	0.667	S	S	*	*			trans	-56.2	93.8	171.9	-167.6	3.3	0	0	0	110	E14 G18	E14-D16 PolarHBondContact O-N 2.79Å; D16-G18 PolarHBondContact O-N 2.98Å
17	E	38.5	Very low	39.2	Very low	151 Å²	151	119.1 Å²	119.1	71%	0.706	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	11.9	-179.5	-67.1	-172.7	159.5	0	0	113.1	E15 K245	E15-E17 PolarHBondContact O-N 3.11Å; E17-K245 IonicContact OE1-NZ 3.53Å; E17-K245 PolarHBondContact OE1-NZ 2.94Å
18	G	34.8	Very low	41.2	Very low	58 Å²	58	118.3 Å²	118.3	60%	0.598	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-30.1	-170.4	0	0	0	0	0	118	D16	D16-G18 PolarHBondContact O-N 2.98Å
19	E	31.7	Very low	43.5	Very low	170 Å²	170	114.4 Å²	114.4	79%	0.794	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	-7.7	-165.8	-69.9	-165.9	167.3	0	0	117
20	E	33.7	Very low	46.4	Very low	181 Å²	181	112.9 Å²	112.9	85%	0.846	56%	0.557	S	S	*	*	S	Bend	trans	-94.1	5.9	174.5	-75.6	-153.2	164.6	0	0	114.9
21	E	40.7	Very low	49.4	Very low	144 Å²	144	106 Å²	106	67%	0.673	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	143.4	164.9	-68.6	-168.4	152.8	0	0	108.9
22	L	46	Very low	52.4	Low	78 Å²	78	97.7 Å²	97.7	41%	0.408	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	17.1	164.2	-42.6	176	0	0	0	119.5	F29 V31	L22-F29 HydrophobicContact CB-CB 4.43Å; L22-F29 HydrophobicContact CD2-CB 4.18Å; L22-F29 HydrophobicContact CD2-CD1 3.68Å; L22-F29 HydrophobicContact CD2-CG 4.38Å; L22-F29 WeakPolarHBondContact CD2-O 3.29Å; L22-F29 PolarHBondContact O-N 2.9Å; L22-V31 HydrophobicContact CD2-CG2 4.49Å
23	R	50.3	Low	55.4	Low	214 Å²	214	96 Å²	96	81%	0.808	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	84.7	163.4	-61.7	-171.5	-171.7	-153.2	4.2	111.5	G25	R23-G25 PolarHBondContact O-N 3.28Å
24	D	52.2	Low	58	Low	40 Å²	40	91.8 Å²	91.8	21%	0.214	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	90.1	165.7	-177.4	29.9	0	0	0	108.3	G26 V27 F171 R191	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.49Å; D24-V27 PolarHBondContact O-N 3.24Å; D24-F171 VanDerWaalsContact OD1-CD1 3.29Å; D24-F171 WeakPolarHBondContact OD1-CD1 3.28Å; D24-F171 WeakPolarHBondContact OD1-CE1 3.4Å; D24-R191 IonicContact OD1-NH2 3.88Å; D24-R191 IonicContact OD2-CZ 2.81Å; D24-R191 IonicContact OD2-NH1 2.79Å; D24-R191 PolarHBondContact OD2-NH1 2.81Å; D24-R191 IonicContact OD2-NH2 3.23Å
25	G	55.8	Low	60.8	Low	11 Å²	11	85.2 Å²	85.2	11%	0.113	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	34.9	-178.6	0	0	0	0	0	114	R23	R23-G25 PolarHBondContact O-N 3.28Å
26	G	58.8	Low	63.5	Low	52 Å²	52	81.5 Å²	81.5	54%	0.536	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	1.4	179.4	0	0	0	0	0	116	D24	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.49Å
27	V	60.6	Low	66.6	Low	21 Å²	21	81.8 Å²	81.8	13%	0.127	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126	174.9	178.2	0	0	0	0	110.6	D24 F29 H49 I53	D24-V27 PolarHBondContact O-N 3.24Å; V27-F29 PolarHBondContact O-N 3.4Å; V27-H49 VanDerWaalsContact CG1-CE1 3.46Å; V27-H49 WeakPolarHBondContact CG1-CE1 3.45Å; V27-I53 HydrophobicContact CG1-CD1 3.97Å; V27-I53 HydrophobicContact CG1-CG1 4.42Å; V27-I53 HydrophobicContact CG2-CD1 4.35Å
28	P	67.4	Low	69.3	Low	49 Å²	49	76.1 Å²	76.1	32%	0.318	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	131.2	175.6	-23.7	31.7	0	0	0	111.3	Y30 H49	P28-Y30 HydrophobicContact CB-CE1 4.4Å; P28-Y30 HydrophobicContact CB-CE2 4.49Å; P28-H49 PolarHBondContact O-CE1 3.2Å
29	F	76.9	Confident	72.3	Confident	32 Å²	32	76.1 Å²	76.1	14%	0.14	40%	0.402	C	S	.	.			trans	-109.4	135.9	173.3	179.1	-119.6	0	0	0	109.5	L22 V27 V31 G107 Q109 K137	L22-F29 HydrophobicContact CB-CB 4.43Å; L22-F29 HydrophobicContact CD2-CB 4.18Å; L22-F29 HydrophobicContact CD2-CD1 3.68Å; L22-F29 HydrophobicContact CD2-CG 4.38Å; L22-F29 WeakPolarHBondContact CD2-O 3.29Å; L22-F29 PolarHBondContact O-N 2.9Å; V27-F29 PolarHBondContact O-N 3.4Å; F29-V31 HydrophobicContact CE1-CG2 4.15Å; F29-G107 WeakPolarHBondContact CD2-O 3.44Å; F29-Q109 HydrophobicContact CE1-CB 4.19Å; F29-Q109 HydrophobicContact CE2-CB 4.24Å; F29-Q109 HydrophobicContact CZ-CB 3.55Å; F29-Q109 HydrophobicContact CZ-CG 4.13Å; F29-K137 HydrophobicContact CE2-CD 3.85Å; F29-K137 HydrophobicContact CZ-CD 3.73Å
30	Y	91.6	Very high	75.4	Confident	61 Å²	61	75.4 Å²	75.4	24%	0.239	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	152.4	-179.2	-57.4	-65	0	0	0	111.3	P28 R45 H49 G107 T108 Q109	P28-Y30 HydrophobicContact CB-CE1 4.4Å; P28-Y30 HydrophobicContact CB-CE2 4.49Å; Y30-R45 HydrophobicContact CD1-CG 4.17Å; Y30-R45 HydrophobicContact CD2-CG 4.13Å; Y30-R45 HydrophobicContact CE1-CG 4.07Å; Y30-R45 HydrophobicContact CE2-CG 4.01Å; Y30-R45 HydrophobicContact CG-CG 4.2Å; Y30-H49 HydrophobicContact CD2-CB 4.32Å; Y30-H49 HydrophobicContact CE2-CB 3.87Å; Y30-H49 AromaticContact CE2-CG 3.94Å; Y30-H49 AromaticContact CE2-ND1 3.53Å; Y30-G107 PolarHBondContact N-O 2.81Å; Y30-G107 VanDerWaalsContact N-O 3.08Å; Y30-T108 CarbonylContact O-C 3.56Å; Y30-T108 WeakPolarHBondContact O-CA 3.25Å; Y30-Q109 PolarHBondContact O-N 3.25Å
31	V	93.9	Very high	78.4	Confident	26 Å²	26	73.2 Å²	73.2	16%	0.158	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.4	175.8	-178.2	0	0	0	0	108.3	L22 F29 R33 Q109 E112	L22-V31 HydrophobicContact CD2-CG2 4.49Å; F29-V31 HydrophobicContact CE1-CG2 4.15Å; V31-R33 HydrophobicContact CG1-CG 4.45Å; V31-Q109 HydrophobicContact CB-CB 4.42Å; V31-Q109 HydrophobicContact CG1-CB 4.33Å; V31-Q109 HydrophobicContact CG2-CB 4.19Å; V31-E112 HydrophobicContact CG1-CB 3.94Å; V31-E112 HydrophobicContact CG1-CG 3.98Å
32	N	95.4	Very high	81	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	36%	0.359	C	S	.	.			trans	-69.9	125.3	169.1	177.1	31.5	0	0	0	109.6	G34 G35 M38 T42 Q109 F110	N32-G34 PolarHBondContact OD1-N 3.36Å; N32-G35 PolarHBondContact ND2-O 3.15Å; N32-M38 HydrophobicContact CB-CE 4.2Å; N32-T42 HydrophobicContact CB-CG2 4.11Å; N32-Q109 VanDerWaalsContact CB-O 3.26Å; N32-Q109 WeakPolarHBondContact CB-O 3.39Å; N32-Q109 PolarHBondContact N-O 3.2Å; N32-F110 PolarHBondContact ND2-O 3.15Å
33	R	94	Very high	83.4	Confident	166 Å²	166	68.1 Å²	68.1	63%	0.626	36%	0.358	S	S	*	.			trans	-118.8	-7.1	178.7	-57.1	-174.4	-170	-127	13.4	112.8	V31 E112	V31-R33 HydrophobicContact CG1-CG 4.45Å; R33-E112 IonicContact CZ-OE1 3.38Å; R33-E112 IonicContact NE-OE1 2.78Å; R33-E112 IonicContact NH1-OE1 3.55Å; R33-E112 PolarHBondContact NH1-OE1 3.41Å
34	G	91.2	Very high	85.6	Confident	57 Å²	57	60.6 Å²	60.6	59%	0.588	33%	0.333	S	S	*	.	S	Bend	trans	-84.9	-6.7	-176.9	0	0	0	0	0	114.6	N32	N32-G34 PolarHBondContact OD1-N 3.36Å
35	G	93.3	Very high	87.6	Confident	28 Å²	28	61.6 Å²	61.6	29%	0.289	33%	0.333	S	S	.	.			trans	81.1	-160.5	-172.7	0	0	0	0	0	112.2	N32	N32-G35 PolarHBondContact ND2-O 3.15Å
36	L	95	Very high	89.5	Confident	48 Å²	48	61.8 Å²	61.8	25%	0.251	33%	0.331	S	S	.	.	S	Bend	trans	-125.9	137.3	179.4	-67.2	167.3	0	0	0	110.1	M38 F111 E132 L134	L36-M38 HydrophobicContact CD2-CB 4.46Å; L36-F111 HydrophobicContact CD1-CE1 3.84Å; L36-F111 HydrophobicContact CD1-CZ 4.29Å; L36-E132 HydrophobicContact CD1-CB 3.79Å; L36-E132 HydrophobicContact CD1-CG 3.62Å; L36-L134 HydrophobicContact CD1-CD1 3.66Å; L36-L134 HydrophobicContact CD2-CD1 3.96Å; L36-L134 HydrophobicContact CG-CD1 4.49Å
37	P	96.1	Very high	91.3	Very high	126 Å²	126	60.4 Å²	60.4	82%	0.818	31%	0.31	S	S	*	.	S	Bend	cis	-63.8	147.9	-1	29.1	-35.7	0	0	0	112.7
38	M	96.4	Very high	92.9	Very high	33 Å²	33	66.3 Å²	66.3	16%	0.163	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.9	138.5	-176.9	-174.7	179.2	-67.9	0	0	110.8	N32 L36 T42 W43 T108 F110	N32-M38 HydrophobicContact CB-CE 4.2Å; L36-M38 HydrophobicContact CD2-CB 4.46Å; M38-T42 HydrophobicContact CE-CG2 4.19Å; M38-T42 HydrophobicContact CG-CG2 3.77Å; M38-T42 HydrophobicContact SD-CG2 3.56Å; M38-T42 VanDerWaalsContact SD-CG2 3.56Å; M38-W43 HydrophobicContact CG-CB 4.42Å; M38-W43 HydrophobicContact SD-CB 4.16Å; M38-W43 HydrophobicContact SD-CE3 4.15Å; M38-T108 HydrophobicContact CE-CG2 4.43Å; M38-F110 HydrophobicContact CE-CD1 3.53Å; M38-F110 HydrophobicContact CE-CE1 3.72Å
39	D	96.7	Very high	94.1	Very high	58 Å²	58	64.6 Å²	64.6	31%	0.31	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-66.4	155.1	174.7	68.2	82.4	0	0	0	112	E41 T42 W43	D39-E41 VanDerWaalsContact C-N 3.29Å; D39-E41 PolarHBondContact O-N 3.22Å; D39-E41 WeakPolarHBondContact OD1-CB 3.45Å; D39-E41 PolarHBondContact OD1-N 2.77Å; D39-E41 VanDerWaalsContact OD1-N 3.16Å; D39-T42 PolarHBondContact O-N 3.2Å; D39-T42 WeakPolarHBondContact OD1-CB 3.47Å; D39-T42 PolarHBondContact OD1-N 2.81Å; D39-T42 PolarHBondContact OD1-OG1 2.85Å; D39-T42 VanDerWaalsContact OD1-OG1 3.09Å; D39-T42 WeakPolarHBondContact OD2-CB 3.25Å; D39-T42 PolarHBondContact OD2-OG1 3.22Å; D39-W43 WeakPolarHBondContact O-CB 3.45Å; D39-W43 PolarHBondContact O-N 3.02Å
40	E	96.9	Very high	94.9	Very high	155 Å²	155	64.4 Å²	64.4	72%	0.724	32%	0.319	S	S	*	.	H	α-helix	trans	-59.9	-38.2	-175.6	-172.8	176.5	-173.6	0	0	112.4	W43 E44	E40-W43 PolarHBondContact O-N 3.16Å; E40-E44 HydrophobicContact CG-CG 4.41Å; E40-E44 WeakPolarHBondContact O-CB 3.4Å; E40-E44 WeakPolarHBondContact O-CG 3.28Å; E40-E44 PolarHBondContact O-N 2.95Å
41	E	96.4	Very high	94.9	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-64.3	-47.8	-179.3	-171.2	-168.2	152.9	0	0	111.2	D39 E44 R45	D39-E41 VanDerWaalsContact C-N 3.29Å; D39-E41 PolarHBondContact O-N 3.22Å; D39-E41 WeakPolarHBondContact OD1-CB 3.45Å; D39-E41 PolarHBondContact OD1-N 2.77Å; D39-E41 VanDerWaalsContact OD1-N 3.16Å; E41-E44 PolarHBondContact O-N 2.94Å; E41-R45 VanDerWaalsContact O-CB 3.31Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 2.94Å
42	T	95.9	Very high	94.9	Very high	9 Å²	9	67.7 Å²	67.7	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-64.8	-41	177.7	-58.9	0	0	0	0	110.8	N32 M38 D39 R45 M46 T108	N32-T42 HydrophobicContact CB-CG2 4.11Å; M38-T42 HydrophobicContact CE-CG2 4.19Å; M38-T42 HydrophobicContact CG-CG2 3.77Å; M38-T42 HydrophobicContact SD-CG2 3.56Å; M38-T42 VanDerWaalsContact SD-CG2 3.56Å; D39-T42 PolarHBondContact O-N 3.2Å; D39-T42 WeakPolarHBondContact OD1-CB 3.47Å; D39-T42 PolarHBondContact OD1-N 2.81Å; D39-T42 PolarHBondContact OD1-OG1 2.85Å; D39-T42 VanDerWaalsContact OD1-OG1 3.09Å; D39-T42 WeakPolarHBondContact OD2-CB 3.25Å; D39-T42 PolarHBondContact OD2-OG1 3.22Å; T42-R45 PolarHBondContact O-N 3.31Å; T42-M46 PolarHBondContact O-N 3.14Å; T42-T108 HydrophobicContact CG2-CG2 4.3Å
43	W	96.7	Very high	94.6	Very high	106 Å²	106	71.2 Å²	71.2	40%	0.402	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-49.4	176.4	179.8	-100.8	0	0	0	112.2	M38 D39 E40 R45 M46 W47	M38-W43 HydrophobicContact CG-CB 4.42Å; M38-W43 HydrophobicContact SD-CB 4.16Å; M38-W43 HydrophobicContact SD-CE3 4.15Å; D39-W43 WeakPolarHBondContact O-CB 3.45Å; D39-W43 PolarHBondContact O-N 3.02Å; E40-W43 PolarHBondContact O-N 3.16Å; W43-R45 VanDerWaalsContact C-N 3.29Å; W43-R45 PolarHBondContact O-N 3.17Å; W43-M46 HydrophobicContact CD2-CE 4.31Å; W43-M46 HydrophobicContact CE3-CE 3.64Å; W43-M46 HydrophobicContact CH2-CE 4.18Å; W43-M46 HydrophobicContact CZ3-CE 3.56Å; W43-M46 WeakPolarHBondContact O-CB 3.39Å; W43-M46 PolarHBondContact O-N 2.87Å; W43-W47 AromaticContact CD1-CD1 3.95Å; W43-W47 AromaticContact CD2-NE1 3.86Å; W43-W47 AromaticContact CE2-CD1 3.57Å; W43-W47 AromaticContact CE2-NE1 3.18Å; W43-W47 AromaticContact CH2-NE1 3.67Å; W43-W47 AromaticContact CZ2-CD1 3.97Å; W43-W47 HydrophobicContact CZ2-CZ2 4.42Å; W43-W47 AromaticContact CZ2-NE1 3.08Å; W43-W47 AromaticContact NE1-CD1 3.52Å; W43-W47 AromaticContact NE1-NE1 3.53Å; W43-W47 PolarHBondContact O-N 3Å; W43-W47 VanDerWaalsContact O-N 3.17Å
44	E	96.3	Very high	94.5	Very high	57 Å²	57	67.3 Å²	67.3	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-35.7	176.7	-71.9	-48.8	136.9	0	0	112.1	E40 E41 W47 R48 R65	E40-E44 HydrophobicContact CG-CG 4.41Å; E40-E44 WeakPolarHBondContact O-CB 3.4Å; E40-E44 WeakPolarHBondContact O-CG 3.28Å; E40-E44 PolarHBondContact O-N 2.95Å; E41-E44 PolarHBondContact O-N 2.94Å; E44-W47 PolarHBondContact O-N 3.41Å; E44-R48 WeakPolarHBondContact O-CB 3.13Å; E44-R48 WeakPolarHBondContact O-CG 3.3Å; E44-R48 PolarHBondContact O-N 3.15Å; E44-R48 PolarHBondContact O-NE 3.15Å; E44-R48 VanDerWaalsContact O-NE 3.11Å; E44-R65 IonicContact OE1-CZ 2.81Å; E44-R65 IonicContact OE1-NH1 2.8Å; E44-R65 PolarHBondContact OE1-NH1 2.86Å; E44-R65 IonicContact OE1-NH2 3.62Å; E44-R65 PolarHBondContact OE1-NH2 3.01Å; E44-R65 IonicContact OE2-CZ 3.16Å; E44-R65 IonicContact OE2-NH1 3.58Å; E44-R65 PolarHBondContact OE2-NH1 3.45Å; E44-R65 IonicContact OE2-NH2 2.77Å
45	R	95.4	Very high	94.6	Very high	61 Å²	61	70.1 Å²	70.1	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-40.3	177.7	-173	169.9	64.7	-160.4	-3.5	111.7	Y30 E41 T42 W43 H49	Y30-R45 HydrophobicContact CD1-CG 4.17Å; Y30-R45 HydrophobicContact CD2-CG 4.13Å; Y30-R45 HydrophobicContact CE1-CG 4.07Å; Y30-R45 HydrophobicContact CE2-CG 4.01Å; Y30-R45 HydrophobicContact CG-CG 4.2Å; E41-R45 VanDerWaalsContact O-CB 3.31Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 2.94Å; T42-R45 PolarHBondContact O-N 3.31Å; W43-R45 VanDerWaalsContact C-N 3.29Å; W43-R45 PolarHBondContact O-N 3.17Å; R45-H49 PolarHBondContact O-N 3.44Å
46	M	95.6	Very high	94.6	Very high	14 Å²	14	70.1 Å²	70.1	7%	0.069	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-50.2	174.4	-179.9	-179.6	70.6	0	0	110.9	T42 W43 R48 H49 V50 T108 F110	T42-M46 PolarHBondContact O-N 3.14Å; W43-M46 HydrophobicContact CD2-CE 4.31Å; W43-M46 HydrophobicContact CE3-CE 3.64Å; W43-M46 HydrophobicContact CH2-CE 4.18Å; W43-M46 HydrophobicContact CZ3-CE 3.56Å; W43-M46 WeakPolarHBondContact O-CB 3.39Å; W43-M46 PolarHBondContact O-N 2.87Å; M46-R48 PolarHBondContact O-N 3.47Å; M46-H49 VanDerWaalsContact O-CB 3.3Å; M46-H49 WeakPolarHBondContact O-CB 3.5Å; M46-H49 PolarHBondContact O-N 2.62Å; M46-H49 VanDerWaalsContact O-N 3.12Å; M46-V50 WeakPolarHBondContact O-CG2 3.42Å; M46-V50 PolarHBondContact O-N 3.35Å; M46-T108 WeakPolarHBondContact CB-OG1 3.5Å; M46-T108 WeakPolarHBondContact CG-OG1 3.34Å; M46-F110 HydrophobicContact SD-CE1 3.84Å; M46-F110 HydrophobicContact SD-CZ 4.16Å
47	W	95.8	Very high	94.5	Very high	24 Å²	24	67.9 Å²	67.9	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-39.5	-179.3	-78.9	109.4	0	0	0	113.4	W43 E44 H49 V50 A51 A61 I64 R65	W43-W47 AromaticContact CD1-CD1 3.95Å; W43-W47 AromaticContact CD2-NE1 3.86Å; W43-W47 AromaticContact CE2-CD1 3.57Å; W43-W47 AromaticContact CE2-NE1 3.18Å; W43-W47 AromaticContact CH2-NE1 3.67Å; W43-W47 AromaticContact CZ2-CD1 3.97Å; W43-W47 HydrophobicContact CZ2-CZ2 4.42Å; W43-W47 AromaticContact CZ2-NE1 3.08Å; W43-W47 AromaticContact NE1-CD1 3.52Å; W43-W47 AromaticContact NE1-NE1 3.53Å; W43-W47 PolarHBondContact O-N 3Å; W43-W47 VanDerWaalsContact O-N 3.17Å; E44-W47 PolarHBondContact O-N 3.41Å; W47-H49 PolarHBondContact O-N 3.34Å; W47-V50 HydrophobicContact CE3-CB 4.43Å; W47-V50 HydrophobicContact CE3-CG1 4.47Å; W47-V50 HydrophobicContact CZ3-CG1 4.42Å; W47-V50 PolarHBondContact O-N 2.63Å; W47-A51 WeakPolarHBondContact O-CB 3.35Å; W47-A51 PolarHBondContact O-N 2.83Å; W47-A61 HydrophobicContact CE3-CB 3.64Å; W47-A61 HydrophobicContact CZ3-CB 3.95Å; W47-I64 HydrophobicContact CH2-CB 3.76Å; W47-I64 HydrophobicContact CH2-CD1 4.05Å; W47-I64 HydrophobicContact CH2-CG2 3.65Å; W47-I64 HydrophobicContact CZ2-CB 4.43Å; W47-I64 HydrophobicContact CZ2-CG2 3.96Å; W47-R65 HydrophobicContact CD2-CG 3.88Å; W47-R65 HydrophobicContact CE3-CG 4.33Å; W47-R65 HydrophobicContact CG-CG 4.37Å; W47-R65 HydrophobicContact CH2-CG 4.22Å; W47-R65 HydrophobicContact CZ2-CG 3.75Å; W47-R65 HydrophobicContact CZ3-CG 4.49Å
48	R	94.6	Very high	94.3	Very high	144 Å²	144	67.7 Å²	67.7	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-36.5	172	-77.8	178.5	-77	136.5	-10.3	112.3	E44 M46 R52	E44-R48 WeakPolarHBondContact O-CB 3.13Å; E44-R48 WeakPolarHBondContact O-CG 3.3Å; E44-R48 PolarHBondContact O-N 3.15Å; E44-R48 PolarHBondContact O-NE 3.15Å; E44-R48 VanDerWaalsContact O-NE 3.11Å; M46-R48 PolarHBondContact O-N 3.47Å; R48-R52 WeakPolarHBondContact O-CB 3.41Å; R48-R52 PolarHBondContact O-N 3.45Å
49	H	92.6	Very high	94.2	Very high	14 Å²	14	71.4 Å²	71.4	7%	0.065	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-48.9	175.5	-175	88.4	0	0	0	111.9	V27 P28 Y30 R45 M46 W47 A51 R52 I53	V27-H49 VanDerWaalsContact CG1-CE1 3.46Å; V27-H49 WeakPolarHBondContact CG1-CE1 3.45Å; P28-H49 PolarHBondContact O-CE1 3.2Å; Y30-H49 HydrophobicContact CD2-CB 4.32Å; Y30-H49 HydrophobicContact CE2-CB 3.87Å; Y30-H49 AromaticContact CE2-CG 3.94Å; Y30-H49 AromaticContact CE2-ND1 3.53Å; R45-H49 PolarHBondContact O-N 3.44Å; M46-H49 VanDerWaalsContact O-CB 3.3Å; M46-H49 WeakPolarHBondContact O-CB 3.5Å; M46-H49 PolarHBondContact O-N 2.62Å; M46-H49 VanDerWaalsContact O-N 3.12Å; W47-H49 PolarHBondContact O-N 3.34Å; H49-A51 VanDerWaalsContact C-N 3.34Å; H49-A51 PolarHBondContact O-N 3.32Å; H49-R52 PolarHBondContact CE1-NH2 2.89Å; H49-R52 PolarHBondContact ND1-NH2 3.09Å; H49-R52 PolarHBondContact O-N 2.89Å; H49-I53 WeakPolarHBondContact O-CG1 3.42Å; H49-I53 PolarHBondContact O-N 3.33Å; H49-I53 VanDerWaalsContact O-N 3.08Å
50	V	92.3	Very high	94.1	Very high	27 Å²	27	71.1 Å²	71.1	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-46.7	178	172.8	0	0	0	0	110.7	M46 W47 R52 I53 H54 L60	M46-V50 WeakPolarHBondContact O-CG2 3.42Å; M46-V50 PolarHBondContact O-N 3.35Å; W47-V50 HydrophobicContact CE3-CB 4.43Å; W47-V50 HydrophobicContact CE3-CG1 4.47Å; W47-V50 HydrophobicContact CZ3-CG1 4.42Å; W47-V50 PolarHBondContact O-N 2.63Å; V50-R52 PolarHBondContact O-N 3.03Å; V50-I53 PolarHBondContact O-N 3.23Å; V50-H54 WeakPolarHBondContact O-CB 3.39Å; V50-H54 PolarHBondContact O-N 2.94Å; V50-L60 HydrophobicContact CG1-CD2 4.22Å
51	A	93.4	Very high	94	Very high	18 Å²	18	64.1 Å²	64.1	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-56	-38.9	178.2	0	0	0	0	0	112.9	W47 H49 E58	W47-A51 WeakPolarHBondContact O-CB 3.35Å; W47-A51 PolarHBondContact O-N 2.83Å; H49-A51 VanDerWaalsContact C-N 3.34Å; H49-A51 PolarHBondContact O-N 3.32Å; A51-E58 HydrophobicContact CB-CG 4.37Å
52	R	92.3	Very high	93.8	Very high	138 Å²	138	65.7 Å²	65.7	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-76.4	-35.4	-179.7	-175.5	-177.2	62.7	93.9	7.6	113.8	R48 H49 V50	R48-R52 WeakPolarHBondContact O-CB 3.41Å; R48-R52 PolarHBondContact O-N 3.45Å; H49-R52 PolarHBondContact CE1-NH2 2.89Å; H49-R52 PolarHBondContact ND1-NH2 3.09Å; H49-R52 PolarHBondContact O-N 2.89Å; V50-R52 PolarHBondContact O-N 3.03Å
53	I	90.4	Very high	93.7	Very high	79 Å²	79	71.3 Å²	71.3	41%	0.405	34%	0.34	S	S	.	.	H	α-helix	trans	-90.9	-37.9	-172.2	-65.7	-61.9	0	0	0	112.2	V27 H49 V50	V27-I53 HydrophobicContact CG1-CD1 3.97Å; V27-I53 HydrophobicContact CG1-CG1 4.42Å; V27-I53 HydrophobicContact CG2-CD1 4.35Å; H49-I53 WeakPolarHBondContact O-CG1 3.42Å; H49-I53 PolarHBondContact O-N 3.33Å; H49-I53 VanDerWaalsContact O-N 3.08Å; V50-I53 PolarHBondContact O-N 3.23Å
54	H	91	Very high	93.7	Very high	83 Å²	83	69.2 Å²	69.2	38%	0.384	34%	0.336	S	S	.	.	S	Bend	trans	-80	133.4	-178.3	-172.5	-92.5	0	0	0	110.6	V50 G56 G57	V50-H54 WeakPolarHBondContact O-CB 3.39Å; V50-H54 PolarHBondContact O-N 2.94Å; H54-G56 PolarHBondContact ND1-N 2.93Å; H54-G56 VanDerWaalsContact ND1-N 3.15Å; H54-G56 PolarHBondContact O-N 3.37Å; H54-G56 VanDerWaalsContact O-N 3.07Å; H54-G57 PolarHBondContact ND1-N 3.47Å; H54-G57 PolarHBondContact O-N 3.02Å
55	P	93.3	Very high	93.6	Very high	117 Å²	117	70.7 Å²	70.7	76%	0.76	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.4	-178.3	-28.1	35.2	0	0	0	114.9
56	G	93.9	Very high	93.3	Very high	27 Å²	27	71.4 Å²	71.4	28%	0.278	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	29.2	173.8	0	0	0	0	0	113.4	H54 E58 I59 L60	H54-G56 PolarHBondContact ND1-N 2.93Å; H54-G56 VanDerWaalsContact ND1-N 3.15Å; H54-G56 PolarHBondContact O-N 3.37Å; H54-G56 VanDerWaalsContact O-N 3.07Å; G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.18Å; G56-I59 PolarHBondContact O-N 3.43Å; G56-I59 VanDerWaalsContact O-N 3.16Å; G56-L60 PolarHBondContact O-N 3.45Å
57	G	92.8	Very high	93.2	Very high	2 Å²	2	72.2 Å²	72.2	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-34.8	-165.4	0	0	0	0	0	115.3	H54 A61	H54-G57 PolarHBondContact ND1-N 3.47Å; H54-G57 PolarHBondContact O-N 3.02Å; G57-A61 VanDerWaalsContact O-CB 3.3Å; G57-A61 WeakPolarHBondContact O-CB 3.4Å; G57-A61 PolarHBondContact O-N 2.85Å
58	E	92.5	Very high	93.2	Very high	122 Å²	122	78.1 Å²	78.1	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-65.4	-40.2	175.6	-71.1	-68.6	170.5	0	0	112.7	A51 G56 K62	A51-E58 HydrophobicContact CB-CG 4.37Å; G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.18Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.43Å
59	I	94.5	Very high	93.2	Very high	110 Å²	110	77.8 Å²	77.8	56%	0.564	42%	0.422	S	S	*	.	H	α-helix	trans	-68.2	-49.4	177.5	-61.6	171	0	0	0	108.9	G56 A61 K62 E63	G56-I59 PolarHBondContact O-N 3.43Å; G56-I59 VanDerWaalsContact O-N 3.16Å; I59-A61 VanDerWaalsContact C-N 3.29Å; I59-A61 PolarHBondContact O-N 3.27Å; I59-K62 PolarHBondContact O-N 2.91Å; I59-K62 VanDerWaalsContact O-N 3.07Å; I59-E63 HydrophobicContact CG2-CG 4.41Å; I59-E63 WeakPolarHBondContact O-CG 3.38Å; I59-E63 PolarHBondContact O-N 3.38Å
60	L	93.8	Very high	93.3	Very high	52 Å²	52	81.5 Å²	81.5	27%	0.272	44%	0.442	S	S	.	.	H	α-helix	trans	-55.1	-43.8	177.1	-178.2	68.4	0	0	0	112.1	V50 G56 E63 I64	V50-L60 HydrophobicContact CG1-CD2 4.22Å; G56-L60 PolarHBondContact O-N 3.45Å; L60-E63 PolarHBondContact O-N 2.92Å; L60-I64 HydrophobicContact CD1-CD1 3.7Å; L60-I64 HydrophobicContact CD1-CG1 4.38Å; L60-I64 HydrophobicContact CG-CD1 3.95Å; L60-I64 WeakPolarHBondContact O-CG1 3.47Å; L60-I64 PolarHBondContact O-N 2.92Å; L60-I64 VanDerWaalsContact O-N 3.09Å
61	A	93.8	Very high	93.5	Very high	9 Å²	9	85 Å²	85	7%	0.074	47%	0.466	C	S	.	.	H	α-helix	trans	-63	-42.1	177.9	0	0	0	0	0	111.7	W47 G57 I59 R65	W47-A61 HydrophobicContact CE3-CB 3.64Å; W47-A61 HydrophobicContact CZ3-CB 3.95Å; G57-A61 VanDerWaalsContact O-CB 3.3Å; G57-A61 WeakPolarHBondContact O-CB 3.4Å; G57-A61 PolarHBondContact O-N 2.85Å; I59-A61 VanDerWaalsContact C-N 3.29Å; I59-A61 PolarHBondContact O-N 3.27Å; A61-R65 WeakPolarHBondContact O-CB 3.43Å; A61-R65 WeakPolarHBondContact O-CG 3.32Å; A61-R65 PolarHBondContact O-N 2.81Å
62	K	92.3	Very high	93.5	Very high	166 Å²	166	93.9 Å²	93.9	72%	0.722	50%	0.501	S	S	*	.	H	α-helix	trans	-66.8	-37.3	177.2	-72.3	175	-177	178	0	112.9	E58 I59	E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.43Å; I59-K62 PolarHBondContact O-N 2.91Å; I59-K62 VanDerWaalsContact O-N 3.07Å
63	E	94.2	Very high	93.6	Very high	128 Å²	128	93.2 Å²	93.2	60%	0.598	51%	0.506	S	S	*	.	H	α-helix	trans	-68.5	-38.1	179.1	-73.1	175.2	170.3	0	0	112.3	I59 L60 A67	I59-E63 HydrophobicContact CG2-CG 4.41Å; I59-E63 WeakPolarHBondContact O-CG 3.38Å; I59-E63 PolarHBondContact O-N 3.38Å; L60-E63 PolarHBondContact O-N 2.92Å; E63-A67 WeakPolarHBondContact O-CB 3.41Å
64	I	96.3	Very high	93.8	Very high	62 Å²	62	94.5 Å²	94.5	32%	0.318	52%	0.52	S	S	.	.	H	α-helix	trans	-86	-41.4	-177.8	-63	172.2	0	0	0	111.4	W47 L60 G66 A67 L70	W47-I64 HydrophobicContact CH2-CB 3.76Å; W47-I64 HydrophobicContact CH2-CD1 4.05Å; W47-I64 HydrophobicContact CH2-CG2 3.65Å; W47-I64 HydrophobicContact CZ2-CB 4.43Å; W47-I64 HydrophobicContact CZ2-CG2 3.96Å; L60-I64 HydrophobicContact CD1-CD1 3.7Å; L60-I64 HydrophobicContact CD1-CG1 4.38Å; L60-I64 HydrophobicContact CG-CD1 3.95Å; L60-I64 WeakPolarHBondContact O-CG1 3.47Å; L60-I64 PolarHBondContact O-N 2.92Å; L60-I64 VanDerWaalsContact O-N 3.09Å; I64-G66 PolarHBondContact O-N 3.21Å; I64-A67 PolarHBondContact O-N 2.91Å; I64-L70 HydrophobicContact CG2-CD1 4.06Å; I64-L70 HydrophobicContact CG2-CD2 4.47Å
65	R	95.1	Very high	94	Very high	88 Å²	88	95.3 Å²	95.3	33%	0.332	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	117	-172.6	-67.5	-178.2	67.1	160.3	4.8	111.1	E44 W47 A61 A67	E44-R65 IonicContact OE1-CZ 2.81Å; E44-R65 IonicContact OE1-NH1 2.8Å; E44-R65 PolarHBondContact OE1-NH1 2.86Å; E44-R65 IonicContact OE1-NH2 3.62Å; E44-R65 PolarHBondContact OE1-NH2 3.01Å; E44-R65 IonicContact OE2-CZ 3.16Å; E44-R65 IonicContact OE2-NH1 3.58Å; E44-R65 PolarHBondContact OE2-NH1 3.45Å; E44-R65 IonicContact OE2-NH2 2.77Å; W47-R65 HydrophobicContact CD2-CG 3.88Å; W47-R65 HydrophobicContact CE3-CG 4.33Å; W47-R65 HydrophobicContact CG-CG 4.37Å; W47-R65 HydrophobicContact CH2-CG 4.22Å; W47-R65 HydrophobicContact CZ2-CG 3.75Å; W47-R65 HydrophobicContact CZ3-CG 4.49Å; A61-R65 WeakPolarHBondContact O-CB 3.43Å; A61-R65 WeakPolarHBondContact O-CG 3.32Å; A61-R65 PolarHBondContact O-N 2.81Å; R65-A67 VanDerWaalsContact C-N 3.28Å
66	G	88	Confident	94.1	Very high	75 Å²	75	90.8 Å²	90.8	77%	0.773	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	1.9	179.1	0	0	0	0	0	114.2	I64	I64-G66 PolarHBondContact O-N 3.21Å
67	A	95.1	Very high	94.2	Very high	32 Å²	32	94.4 Å²	94.4	26%	0.264	52%	0.522	S	S	.	.			trans	-61.7	136.9	170.2	0	0	0	0	0	110.9	E63 I64 R65 L70	E63-A67 WeakPolarHBondContact O-CB 3.41Å; I64-A67 PolarHBondContact O-N 2.91Å; R65-A67 VanDerWaalsContact C-N 3.28Å; A67-L70 HydrophobicContact CB-CD1 4.32Å; A67-L70 HydrophobicContact CB-CD2 4.07Å; A67-L70 HydrophobicContact CB-CG 3.84Å
68	T	95.3	Very high	94.4	Very high	147 Å²	147	97.7 Å²	97.7	90%	0.902	54%	0.542	S	S	*	.	S	Bend	trans	-99.9	-6.8	-176.5	53.4	0	0	0	0	113
69	D	94.6	Very high	94.5	Very high	137 Å²	137	93.3 Å²	93.3	73%	0.733	52%	0.524	S	S	*	.			trans	-111.9	12.3	-174.6	65.3	-27.9	0	0	0	113.3
70	L	95.5	Very high	94.3	Very high	92 Å²	92	93.5 Å²	93.5	48%	0.482	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-60.5	137.9	175.9	-65.8	178	0	0	0	111	I64 A67 K72	I64-L70 HydrophobicContact CG2-CD1 4.06Å; I64-L70 HydrophobicContact CG2-CD2 4.47Å; A67-L70 HydrophobicContact CB-CD1 4.32Å; A67-L70 HydrophobicContact CB-CD2 4.07Å; A67-L70 HydrophobicContact CB-CG 3.84Å; L70-K72 PolarHBondContact O-N 3.16Å
71	P	95.4	Very high	94	Very high	102 Å²	102	94 Å²	94	66%	0.662	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-63.9	132	179.7	26.5	-33.9	0	0	0	110.2	I73	P71-I73 HydrophobicContact CG-CD1 4.45Å; P71-I73 PolarHBondContact O-N 3.11Å
72	K	94.4	Very high	93.9	Very high	204 Å²	204	100.1 Å²	100.1	89%	0.887	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-68.8	116.6	170	-172.6	175.9	-178.1	178.6	0	108.9	L70	L70-K72 PolarHBondContact O-N 3.16Å
73	I	94.4	Very high	93.6	Very high	123 Å²	123	98.1 Å²	98.1	63%	0.631	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-74.4	125.8	178.5	-51.1	-54.3	0	0	0	109	P71	P71-I73 HydrophobicContact CG-CD1 4.45Å; P71-I73 PolarHBondContact O-N 3.11Å
74	P	94.1	Very high	93.5	Very high	107 Å²	107	97.4 Å²	97.4	70%	0.695	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-68.6	136.5	175.9	28.2	-33.3	0	0	0	110.3	P76	P74-P76 WeakPolarHBondContact O-CD 3.29Å
75	V	95.3	Very high	93.4	Very high	99 Å²	99	96 Å²	96	60%	0.6	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-75.4	118.9	175.8	179.6	0	0	0	0	108.6	A133	V75-A133 HydrophobicContact CG1-CB 3.94Å
76	P	96.1	Very high	93.5	Very high	22 Å²	22	95.2 Å²	95.2	14%	0.143	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-63.8	141.3	178	26.8	-32.9	0	0	0	110.1	P74 Y97 E100 L101 A133	P74-P76 WeakPolarHBondContact O-CD 3.29Å; P76-Y97 HydrophobicContact CB-CD2 4.07Å; P76-Y97 HydrophobicContact CB-CE2 3.96Å; P76-Y97 HydrophobicContact CG-CD2 4.45Å; P76-Y97 HydrophobicContact CG-CE2 3.95Å; P76-E100 HydrophobicContact CB-CB 3.93Å; P76-E100 VanDerWaalsContact CB-OE2 3.28Å; P76-E100 WeakPolarHBondContact CB-OE2 3.33Å; P76-E100 HydrophobicContact CG-CB 4.36Å; P76-L101 HydrophobicContact CG-CD2 3.85Å; P76-A133 HydrophobicContact CG-CB 4.49Å
77	S	95.3	Very high	93.9	Very high	104 Å²	104	94 Å²	94	73%	0.727	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-81.3	129.4	179.3	-64.3	0	0	0	0	110.4	Y97	S77-Y97 WeakPolarHBondContact O-CD2 3.49Å
78	V	95.8	Very high	94	Very high	71 Å²	71	95.1 Å²	95.1	43%	0.43	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-56.4	128.9	173	178.7	0	0	0	0	108.9	S80 Y97 T130 L148	V78-S80 PolarHBondContact O-N 2.9Å; V78-Y97 HydrophobicContact CG2-CE2 4.14Å; V78-T130 HydrophobicContact CG2-CG2 3.93Å; V78-L148 HydrophobicContact CG1-CD2 3.71Å
79	P	95.1	Very high	94.1	Very high	29 Å²	29	92.8 Å²	92.8	19%	0.188	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-66.6	135.4	-171.9	26.3	-35.6	0	0	0	111.6	Y81 A93 I94 Y97	P79-Y81 HydrophobicContact CB-CE1 3.91Å; P79-Y81 VanDerWaalsContact CB-OH 3.3Å; P79-Y81 WeakPolarHBondContact CB-OH 3.39Å; P79-Y81 WeakPolarHBondContact CG-OH 3.38Å; P79-A93 HydrophobicContact CB-CB 4.28Å; P79-I94 HydrophobicContact CG-CG1 4.35Å; P79-Y97 HydrophobicContact CG-CG 4.48Å
80	S	91.5	Very high	94.3	Very high	114 Å²	114	88.7 Å²	88.7	80%	0.797	50%	0.502	S	S	*	.			trans	-119.6	148.2	174.7	77.1	0	0	0	0	109.8	V78	V78-S80 PolarHBondContact O-N 2.9Å
81	Y	87.7	Confident	94.4	Very high	62 Å²	62	84.6 Å²	84.6	24%	0.243	48%	0.48	C	S	.	.			trans	-126.8	138.3	-170.6	-45.2	-65.6	0	0	0	111.6	P79 T85 R90 A93 I94	P79-Y81 HydrophobicContact CB-CE1 3.91Å; P79-Y81 VanDerWaalsContact CB-OH 3.3Å; P79-Y81 WeakPolarHBondContact CB-OH 3.39Å; P79-Y81 WeakPolarHBondContact CG-OH 3.38Å; Y81-T85 HydrophobicContact CD1-CG2 4.41Å; Y81-R90 HydrophobicContact CD1-CB 4.12Å; Y81-R90 HydrophobicContact CD1-CG 3.63Å; Y81-R90 HydrophobicContact CD2-CB 4.48Å; Y81-R90 HydrophobicContact CD2-CG 4.02Å; Y81-R90 HydrophobicContact CE1-CB 3.96Å; Y81-R90 HydrophobicContact CE1-CG 4.01Å; Y81-R90 HydrophobicContact CE2-CB 4.34Å; Y81-R90 HydrophobicContact CE2-CG 4.38Å; Y81-R90 HydrophobicContact CG-CB 4.37Å; Y81-R90 HydrophobicContact CG-CG 3.63Å; Y81-A93 HydrophobicContact CE1-CB 3.81Å; Y81-I94 WeakPolarHBondContact OH-CG1 3.36Å
82	Q	90	Very high	94.6	Very high	138 Å²	138	84.7 Å²	84.7	65%	0.645	47%	0.472	S	S	*	.			trans	-69.2	149.8	162.6	-64.9	-174.7	-2.7	0	0	109.7	T84 T85 R90	Q82-T84 PolarHBondContact O-N 2.92Å; Q82-T84 VanDerWaalsContact O-N 3.08Å; Q82-T85 PolarHBondContact N-OG1 3.38Å; Q82-T85 VanDerWaalsContact O-CB 3.28Å; Q82-T85 WeakPolarHBondContact O-CB 3.34Å; Q82-T85 PolarHBondContact O-N 3.18Å; Q82-T85 PolarHBondContact O-OG1 3.28Å; Q82-R90 PolarHBondContact O-NH2 3.17Å
83	P	86.3	Confident	94.7	Very high	125 Å²	125	76.5 Å²	76.5	81%	0.812	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.5	178	-28.4	35.8	0	0	0	114.1	T85 R90	P83-T85 VanDerWaalsContact C-N 3.31Å; P83-T85 PolarHBondContact O-N 3.12Å; P83-R90 PolarHBondContact O-NH2 3.28Å; P83-R90 VanDerWaalsContact O-NH2 3.11Å
84	T	91.9	Very high	94.9	Very high	112 Å²	112	70.7 Å²	70.7	69%	0.687	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.3	178.6	50.4	0	0	0	0	114.4	Q82 T86	Q82-T84 PolarHBondContact O-N 2.92Å; Q82-T84 VanDerWaalsContact O-N 3.08Å; T84-T86 PolarHBondContact O-N 2.91Å
85	T	95.3	Very high	95.2	Very high	34 Å²	34	65.6 Å²	65.6	21%	0.209	38%	0.379	C	S	.	.			trans	-65	124.8	-179.5	-44	0	0	0	0	109.6	Y81 Q82 P83 Q89 R90	Y81-T85 HydrophobicContact CD1-CG2 4.41Å; Q82-T85 PolarHBondContact N-OG1 3.38Å; Q82-T85 VanDerWaalsContact O-CB 3.28Å; Q82-T85 WeakPolarHBondContact O-CB 3.34Å; Q82-T85 PolarHBondContact O-N 3.18Å; Q82-T85 PolarHBondContact O-OG1 3.28Å; P83-T85 VanDerWaalsContact C-N 3.31Å; P83-T85 PolarHBondContact O-N 3.12Å; T85-Q89 HydrophobicContact CG2-CB 3.78Å; T85-R90 HydrophobicContact CG2-CG 3.74Å; T85-R90 PolarHBondContact O-NE 2.95Å; T85-R90 PolarHBondContact O-NH2 3.37Å; T85-R90 VanDerWaalsContact O-NH2 3.17Å
86	T	96.1	Very high	95.3	Very high	70 Å²	70	67 Å²	67	43%	0.429	38%	0.377	S	S	.	.			trans	-69.8	155.9	-178.1	66.7	0	0	0	0	111.9	T84 Q89 R90	T84-T86 PolarHBondContact O-N 2.91Å; T86-Q89 VanDerWaalsContact N-OE1 3.09Å; T86-Q89 PolarHBondContact O-N 3.44Å; T86-Q89 VanDerWaalsContact OG1-CD 3.24Å; T86-Q89 VanDerWaalsContact OG1-CG 3.29Å; T86-Q89 WeakPolarHBondContact OG1-CG 3Å; T86-Q89 PolarHBondContact OG1-OE1 3.05Å; T86-R90 WeakPolarHBondContact O-CG 3.38Å; T86-R90 PolarHBondContact O-N 3.43Å
87	I	97	Very high	95.4	Very high	51 Å²	51	66.1 Å²	66.1	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-54.8	-47.9	178.4	-71.1	174.1	0	0	0	112.4	Q89 R90 L91 M152 V155 S180 L200	I87-Q89 PolarHBondContact O-N 3.29Å; I87-R90 WeakPolarHBondContact O-CB 3.17Å; I87-R90 PolarHBondContact O-N 3.21Å; I87-R90 VanDerWaalsContact O-N 3.16Å; I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.27Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 3.16Å; I87-M152 HydrophobicContact CG1-CE 4.44Å; I87-M152 HydrophobicContact CG2-CE 4.11Å; I87-V155 HydrophobicContact CD1-CG2 4.12Å; I87-V155 HydrophobicContact CG1-CG2 4.36Å; I87-V155 HydrophobicContact CG2-CG2 3.49Å; I87-V155 VanDerWaalsContact CG2-CG2 3.49Å; I87-S180 WeakPolarHBondContact CD1-OG 3.3Å; I87-L200 HydrophobicContact CG2-CD2 4.06Å
88	P	97.6	Very high	95.6	Very high	54 Å²	54	61.1 Å²	61.1	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-56.1	-46.3	177	-27.4	36.2	0	0	0	113.3	R90 L91 E92 L200	P88-R90 VanDerWaalsContact C-N 3.31Å; P88-R90 PolarHBondContact O-N 3.14Å; P88-L91 PolarHBondContact O-N 3.23Å; P88-L91 VanDerWaalsContact O-N 3.15Å; P88-E92 WeakPolarHBondContact O-CG 3.41Å; P88-E92 PolarHBondContact O-N 3.12Å; P88-L200 HydrophobicContact CG-CD2 4.41Å
89	Q	97.5	Very high	95.7	Very high	99 Å²	99	62.9 Å²	62.9	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-37.5	177.7	-71.9	168.3	-37.8	0	0	112.3	T85 T86 I87 A93	T85-Q89 HydrophobicContact CG2-CB 3.78Å; T86-Q89 VanDerWaalsContact N-OE1 3.09Å; T86-Q89 PolarHBondContact O-N 3.44Å; T86-Q89 VanDerWaalsContact OG1-CD 3.24Å; T86-Q89 VanDerWaalsContact OG1-CG 3.29Å; T86-Q89 WeakPolarHBondContact OG1-CG 3Å; T86-Q89 PolarHBondContact OG1-OE1 3.05Å; I87-Q89 PolarHBondContact O-N 3.29Å; Q89-A93 WeakPolarHBondContact O-CB 3.4Å; Q89-A93 PolarHBondContact O-N 3.44Å
90	R	98	Very high	95.9	Very high	51 Å²	51	65.6 Å²	65.6	19%	0.192	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-46.1	174.1	-63.4	-178.5	-167.6	-161.1	3.2	110.9	Y81 Q82 P83 T85 T86 I87 P88 E92 A93 I94 M152	Y81-R90 HydrophobicContact CD1-CB 4.12Å; Y81-R90 HydrophobicContact CD1-CG 3.63Å; Y81-R90 HydrophobicContact CD2-CB 4.48Å; Y81-R90 HydrophobicContact CD2-CG 4.02Å; Y81-R90 HydrophobicContact CE1-CB 3.96Å; Y81-R90 HydrophobicContact CE1-CG 4.01Å; Y81-R90 HydrophobicContact CE2-CB 4.34Å; Y81-R90 HydrophobicContact CE2-CG 4.38Å; Y81-R90 HydrophobicContact CG-CB 4.37Å; Y81-R90 HydrophobicContact CG-CG 3.63Å; Q82-R90 PolarHBondContact O-NH2 3.17Å; P83-R90 PolarHBondContact O-NH2 3.28Å; P83-R90 VanDerWaalsContact O-NH2 3.11Å; T85-R90 HydrophobicContact CG2-CG 3.74Å; T85-R90 PolarHBondContact O-NE 2.95Å; T85-R90 PolarHBondContact O-NH2 3.37Å; T85-R90 VanDerWaalsContact O-NH2 3.17Å; T86-R90 WeakPolarHBondContact O-CG 3.38Å; T86-R90 PolarHBondContact O-N 3.43Å; I87-R90 WeakPolarHBondContact O-CB 3.17Å; I87-R90 PolarHBondContact O-N 3.21Å; I87-R90 VanDerWaalsContact O-N 3.16Å; P88-R90 VanDerWaalsContact C-N 3.31Å; P88-R90 PolarHBondContact O-N 3.14Å; R90-E92 VanDerWaalsContact C-N 3.34Å; R90-E92 PolarHBondContact O-N 3.04Å; R90-A93 PolarHBondContact O-N 3.36Å; R90-I94 WeakPolarHBondContact O-CG1 3.25Å; R90-I94 PolarHBondContact O-N 3.48Å; R90-M152 HydrophobicContact CB-CE 3.7Å; R90-M152 HydrophobicContact CB-SD 4.3Å; R90-M152 HydrophobicContact CG-CE 4.47Å
91	L	98.4	Very high	96.2	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-40.7	177.8	-66	172.7	0	0	0	112	I87 P88 I94 Q95 T149 M152 V155 V178 L187 L200	I87-L91 HydrophobicContact CG2-CD1 3.93Å; I87-L91 HydrophobicContact CG2-CG 4.27Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 3.16Å; P88-L91 PolarHBondContact O-N 3.23Å; P88-L91 VanDerWaalsContact O-N 3.15Å; L91-I94 PolarHBondContact O-N 3.13Å; L91-Q95 WeakPolarHBondContact O-CB 3.47Å; L91-Q95 PolarHBondContact O-N 3.16Å; L91-T149 HydrophobicContact CD2-CG2 4.19Å; L91-M152 HydrophobicContact CD2-CE 4.27Å; L91-M152 HydrophobicContact CG-CE 4.4Å; L91-V155 HydrophobicContact CD2-CG1 4.35Å; L91-V178 HydrophobicContact CD1-CG2 4.19Å; L91-L187 HydrophobicContact CB-CD2 4.41Å; L91-L187 HydrophobicContact CD2-CD1 3.88Å; L91-L187 HydrophobicContact CD2-CG 4.39Å; L91-L187 WeakPolarHBondContact O-CD2 3.46Å; L91-L200 HydrophobicContact CD1-CB 4.29Å; L91-L200 HydrophobicContact CD1-CD1 4.34Å; L91-L200 HydrophobicContact CD1-CD2 4.31Å
92	E	98.2	Very high	96.7	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.1	-74.6	171.8	-169	0	0	112.2	P88 R90 Q95 K96 F197	P88-E92 WeakPolarHBondContact O-CG 3.41Å; P88-E92 PolarHBondContact O-N 3.12Å; R90-E92 VanDerWaalsContact C-N 3.34Å; R90-E92 PolarHBondContact O-N 3.04Å; E92-Q95 PolarHBondContact O-N 2.74Å; E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 2.84Å; E92-F197 HydrophobicContact CG-CE1 4.34Å; E92-F197 HydrophobicContact CG-CZ 3.78Å
93	A	98.3	Very high	97.1	Very high	33 Å²	33	58.2 Å²	58.2	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-39.2	175.9	0	0	0	0	0	112.5	P79 Y81 Q89 R90 K96 Y97	P79-A93 HydrophobicContact CB-CB 4.28Å; Y81-A93 HydrophobicContact CE1-CB 3.81Å; Q89-A93 WeakPolarHBondContact O-CB 3.4Å; Q89-A93 PolarHBondContact O-N 3.44Å; R90-A93 PolarHBondContact O-N 3.36Å; A93-K96 PolarHBondContact O-N 3.01Å; A93-Y97 PolarHBondContact O-N 3.17Å
94	I	98.7	Very high	97.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-49	171.8	-68	175.4	0	0	0	110.3	P79 Y81 R90 L91 K96 Y97 I98 L148 T149 M152 L187	P79-I94 HydrophobicContact CG-CG1 4.35Å; Y81-I94 WeakPolarHBondContact OH-CG1 3.36Å; R90-I94 WeakPolarHBondContact O-CG1 3.25Å; R90-I94 PolarHBondContact O-N 3.48Å; L91-I94 PolarHBondContact O-N 3.13Å; I94-K96 VanDerWaalsContact C-N 3.29Å; I94-K96 PolarHBondContact O-N 2.88Å; I94-Y97 PolarHBondContact O-N 2.93Å; I94-I98 HydrophobicContact CG2-CD1 3.83Å; I94-I98 HydrophobicContact CG2-CG1 4.47Å; I94-I98 WeakPolarHBondContact O-CG1 3.45Å; I94-I98 PolarHBondContact O-N 3.25Å; I94-L148 HydrophobicContact CD1-CB 4.03Å; I94-L148 HydrophobicContact CG1-CB 4.17Å; I94-L148 HydrophobicContact CG2-CB 4.03Å; I94-L148 HydrophobicContact CG2-CD1 3.86Å; I94-T149 HydrophobicContact CD1-CG2 3.42Å; I94-T149 VanDerWaalsContact CD1-CG2 3.42Å; I94-M152 HydrophobicContact CD1-SD 4.02Å; I94-L187 HydrophobicContact CG2-CD1 3.9Å; I94-L187 HydrophobicContact CG2-CD2 4.29Å
95	Q	98.8	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-38.2	179.1	-177.5	63.2	61.9	0	0	112	L91 E92 I98 R99 L187 G188 F197	L91-Q95 WeakPolarHBondContact O-CB 3.47Å; L91-Q95 PolarHBondContact O-N 3.16Å; E92-Q95 PolarHBondContact O-N 2.74Å; Q95-I98 PolarHBondContact O-N 3.2Å; Q95-R99 WeakPolarHBondContact O-CG 3.5Å; Q95-R99 PolarHBondContact O-N 3.25Å; Q95-L187 HydrophobicContact CB-CD2 3.9Å; Q95-G188 PolarHBondContact NE2-O 2.92Å; Q95-G188 PolarHBondContact OE1-O 3.37Å; Q95-F197 HydrophobicContact CB-CD2 3.65Å; Q95-F197 HydrophobicContact CB-CE2 4.02Å; Q95-F197 HydrophobicContact CB-CG 4.25Å; Q95-F197 HydrophobicContact CG-CB 3.63Å; Q95-F197 HydrophobicContact CG-CD2 3.54Å; Q95-F197 HydrophobicContact CG-CE2 4.35Å; Q95-F197 HydrophobicContact CG-CG 3.67Å
96	K	98.4	Very high	97.7	Very high	129 Å²	129	54 Å²	54	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-60.6	-48.8	175	-175.6	-174.3	176	-164.7	0	110.8	E92 A93 I94 I98 R99 E100	E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 2.84Å; A93-K96 PolarHBondContact O-N 3.01Å; I94-K96 VanDerWaalsContact C-N 3.29Å; I94-K96 PolarHBondContact O-N 2.88Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-I98 PolarHBondContact O-N 2.93Å; K96-R99 WeakPolarHBondContact O-CB 3.5Å; K96-R99 PolarHBondContact O-N 3.13Å; K96-R99 VanDerWaalsContact O-N 3.11Å; K96-E100 WeakPolarHBondContact CE-OE1 3.24Å; K96-E100 IonicContact NZ-OE1 3.6Å; K96-E100 WeakPolarHBondContact O-CG 3.29Å; K96-E100 PolarHBondContact O-N 3.35Å
97	Y	98.7	Very high	97.5	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-45.3	175.2	173.9	-96	0	0	0	112	P76 S77 V78 P79 A93 I94 R99 E100 L101 T130 L144 L148	P76-Y97 HydrophobicContact CB-CD2 4.07Å; P76-Y97 HydrophobicContact CB-CE2 3.96Å; P76-Y97 HydrophobicContact CG-CD2 4.45Å; P76-Y97 HydrophobicContact CG-CE2 3.95Å; S77-Y97 WeakPolarHBondContact O-CD2 3.49Å; V78-Y97 HydrophobicContact CG2-CE2 4.14Å; P79-Y97 HydrophobicContact CG-CG 4.48Å; A93-Y97 PolarHBondContact O-N 3.17Å; I94-Y97 PolarHBondContact O-N 2.93Å; Y97-R99 VanDerWaalsContact C-N 3.29Å; Y97-R99 PolarHBondContact O-N 3.16Å; Y97-E100 PolarHBondContact O-N 3.39Å; Y97-E100 VanDerWaalsContact O-N 3.17Å; Y97-L101 HydrophobicContact CE1-CD1 4.06Å; Y97-L101 PolarHBondContact O-N 2.66Å; Y97-T130 HydrophobicContact CE1-CG2 4.27Å; Y97-T130 WeakPolarHBondContact OH-CA 3.2Å; Y97-T130 WeakPolarHBondContact OH-CB 3.39Å; Y97-T130 WeakPolarHBondContact OH-CG2 3.47Å; Y97-L144 HydrophobicContact CE1-CD1 4.36Å; Y97-L144 HydrophobicContact CE1-CD2 4.04Å; Y97-L148 HydrophobicContact CD1-CD1 3.66Å; Y97-L148 HydrophobicContact CE1-CD1 4.03Å
98	I	98.7	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-43.9	175.2	-71.9	170.1	0	0	0	110.7	I94 Q95 K96 L101 I136 A141 L144 A145 M189	I94-I98 HydrophobicContact CG2-CD1 3.83Å; I94-I98 HydrophobicContact CG2-CG1 4.47Å; I94-I98 WeakPolarHBondContact O-CG1 3.45Å; I94-I98 PolarHBondContact O-N 3.25Å; Q95-I98 PolarHBondContact O-N 3.2Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-I98 PolarHBondContact O-N 2.93Å; I98-L101 WeakPolarHBondContact O-CB 3.36Å; I98-L101 PolarHBondContact O-N 3.26Å; I98-I136 HydrophobicContact CG2-CD1 4.26Å; I98-A141 HydrophobicContact CG2-CB 4.16Å; I98-L144 HydrophobicContact CG1-CD2 4.09Å; I98-L144 HydrophobicContact CG1-CG 4.5Å; I98-A145 HydrophobicContact CD1-CB 3.94Å; I98-M189 HydrophobicContact CG2-CB 4.32Å; I98-M189 HydrophobicContact CG2-CE 3.61Å; I98-M189 WeakPolarHBondContact O-CE 3.47Å
99	R	98.3	Very high	97.3	Very high	107 Å²	107	47.1 Å²	47.1	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-36.5	176.9	-73.7	176.4	-173	147.3	-3.5	113.4	Q95 K96 Y97 L101 Q102 M196	Q95-R99 WeakPolarHBondContact O-CG 3.5Å; Q95-R99 PolarHBondContact O-N 3.25Å; K96-R99 WeakPolarHBondContact O-CB 3.5Å; K96-R99 PolarHBondContact O-N 3.13Å; K96-R99 VanDerWaalsContact O-N 3.11Å; Y97-R99 VanDerWaalsContact C-N 3.29Å; Y97-R99 PolarHBondContact O-N 3.16Å; R99-L101 PolarHBondContact O-N 2.99Å; R99-Q102 WeakPolarHBondContact O-CA 3.48Å; R99-Q102 PolarHBondContact O-N 3.26Å; R99-M196 HydrophobicContact CG-CE 4.44Å; R99-M196 HydrophobicContact CG-SD 4.36Å
100	E	98.1	Very high	97.3	Very high	86 Å²	86	43.3 Å²	43.3	40%	0.402	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-26.4	177.9	-73.6	171.9	-179.2	0	0	112.4	P76 K96 Y97 Q102	P76-E100 HydrophobicContact CB-CB 3.93Å; P76-E100 VanDerWaalsContact CB-OE2 3.28Å; P76-E100 WeakPolarHBondContact CB-OE2 3.33Å; P76-E100 HydrophobicContact CG-CB 4.36Å; K96-E100 WeakPolarHBondContact CE-OE1 3.24Å; K96-E100 IonicContact NZ-OE1 3.6Å; K96-E100 WeakPolarHBondContact O-CG 3.29Å; K96-E100 PolarHBondContact O-N 3.35Å; Y97-E100 PolarHBondContact O-N 3.39Å; Y97-E100 VanDerWaalsContact O-N 3.17Å; E100-Q102 VanDerWaalsContact C-N 3.25Å; E100-Q102 PolarHBondContact O-N 2.93Å
101	L	98.1	Very high	97.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.7	171.1	-62.4	175.9	0	0	0	113.3	P76 Y97 I98 R99 A133 P135 I136 L144	P76-L101 HydrophobicContact CG-CD2 3.85Å; Y97-L101 HydrophobicContact CE1-CD1 4.06Å; Y97-L101 PolarHBondContact O-N 2.66Å; I98-L101 WeakPolarHBondContact O-CB 3.36Å; I98-L101 PolarHBondContact O-N 3.26Å; R99-L101 PolarHBondContact O-N 2.99Å; L101-A133 HydrophobicContact CD2-CB 3.96Å; L101-P135 WeakPolarHBondContact O-CA 3.36Å; L101-I136 HydrophobicContact CB-CD1 4.4Å; L101-I136 HydrophobicContact CB-CG1 4.22Å; L101-I136 HydrophobicContact CD1-CD1 3.82Å; L101-I136 HydrophobicContact CD1-CG1 4.4Å; L101-L144 HydrophobicContact CD1-CD2 3.44Å; L101-L144 VanDerWaalsContact CD1-CD2 3.44Å
102	Q	98.2	Very high	97.2	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	20%	0.202	S	C	*	.			trans	70.7	151.7	-177.9	-47.8	176.8	-0.7	0	0	114.8	R99 E100 P135 I136	R99-Q102 WeakPolarHBondContact O-CA 3.48Å; R99-Q102 PolarHBondContact O-N 3.26Å; E100-Q102 VanDerWaalsContact C-N 3.25Å; E100-Q102 PolarHBondContact O-N 2.93Å; Q102-P135 WeakPolarHBondContact O-CA 3.24Å; Q102-I136 PolarHBondContact O-N 3.36Å; Q102-I136 VanDerWaalsContact O-N 3.09Å
103	Y	97.8	Very high	97.1	Very high	30 Å²	30	38.4 Å²	38.4	12%	0.118	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-70.3	131.9	170.9	-171.2	-78.9	0	0	0	109.9	H105 I136 K137 M189 S190 R191	Y103-H105 AromaticContact CD1-CD2 3.76Å; Y103-H105 AromaticContact CD1-CE1 3.7Å; Y103-H105 AromaticContact CD1-NE2 3.48Å; Y103-H105 WeakPolarHBondContact CD1-NE2 3.39Å; Y103-H105 AromaticContact CG-NE2 3.95Å; Y103-H105 PolarHBondContact O-CD2 2.9Å; Y103-H105 PolarHBondContact O-N 3.35Å; Y103-H105 VanDerWaalsContact O-N 3.11Å; Y103-I136 CarbonylContact C-O 3.58Å; Y103-I136 WeakPolarHBondContact CA-O 3.28Å; Y103-K137 HydrophobicContact CE1-CG 4.37Å; Y103-M189 HydrophobicContact CD2-CG 3.65Å; Y103-M189 HydrophobicContact CD2-SD 4.15Å; Y103-M189 HydrophobicContact CE2-CG 4.39Å; Y103-M189 HydrophobicContact CG-CG 4.4Å; Y103-S190 WeakPolarHBondContact CD2-O 3.47Å; Y103-R191 HydrophobicContact CD1-CG 3.76Å; Y103-R191 HydrophobicContact CD2-CG 4.08Å; Y103-R191 HydrophobicContact CE1-CG 3.38Å; Y103-R191 HydrophobicContact CE2-CG 3.75Å; Y103-R191 HydrophobicContact CG-CG 4.12Å
104	N	97.1	Very high	97	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.188	C	C	.	.			trans	-75.8	102.8	-179.9	-172	-17	0	0	0	112.6	T106 T108 F110 P135 I136 K137	N104-T106 WeakPolarHBondContact OD1-CB 3.32Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.91Å; N104-T106 PolarHBondContact OD1-OG1 3.39Å; N104-T108 PolarHBondContact ND2-O 2.89Å; N104-F110 VanDerWaalsContact ND2-CD2 3.34Å; N104-F110 WeakPolarHBondContact ND2-CD2 3.39Å; N104-F110 VanDerWaalsContact ND2-CE2 3.3Å; N104-F110 WeakPolarHBondContact ND2-CE2 3.47Å; N104-P135 HydrophobicContact CB-CB 3.79Å; N104-P135 PolarHBondContact ND2-O 3.43Å; N104-I136 PolarHBondContact N-O 2.93Å; N104-K137 HydrophobicContact CB-CG 3.9Å; N104-K137 WeakPolarHBondContact O-CE 3.49Å
105	H	94.6	Very high	96.9	Very high	141 Å²	141	45.4 Å²	45.4	65%	0.653	21%	0.207	S	C	*	.			trans	-94.6	2.8	176.3	-71.7	-81	0	0	0	114.6	Y103 G107	Y103-H105 AromaticContact CD1-CD2 3.76Å; Y103-H105 AromaticContact CD1-CE1 3.7Å; Y103-H105 AromaticContact CD1-NE2 3.48Å; Y103-H105 WeakPolarHBondContact CD1-NE2 3.39Å; Y103-H105 AromaticContact CG-NE2 3.95Å; Y103-H105 PolarHBondContact O-CD2 2.9Å; Y103-H105 PolarHBondContact O-N 3.35Å; Y103-H105 VanDerWaalsContact O-N 3.11Å; H105-G107 VanDerWaalsContact C-N 3.26Å; H105-G107 PolarHBondContact O-N 2.9Å
106	T	94.4	Very high	96.8	Very high	41 Å²	41	49.2 Å²	49.2	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-73.8	-15.6	-173.1	70.3	0	0	0	0	114	N104 T108 F110	N104-T106 WeakPolarHBondContact OD1-CB 3.32Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.91Å; N104-T106 PolarHBondContact OD1-OG1 3.39Å; T106-T108 VanDerWaalsContact C-N 3.26Å; T106-T108 PolarHBondContact O-N 3.39Å; T106-T108 PolarHBondContact OG1-N 3.01Å; T106-T108 PolarHBondContact OG1-O 2.93Å; T106-F110 HydrophobicContact CG2-CE2 4.48Å; T106-F110 HydrophobicContact CG2-CZ 3.99Å
107	G	91.8	Very high	96.7	Very high	10 Å²	10	47.3 Å²	47.3	10%	0.103	22%	0.223	C	C	.	.	S	Bend	trans	82.3	-2.2	-172.4	0	0	0	0	0	114.3	F29 Y30 H105	F29-G107 WeakPolarHBondContact CD2-O 3.44Å; Y30-G107 PolarHBondContact N-O 2.81Å; Y30-G107 VanDerWaalsContact N-O 3.08Å; H105-G107 VanDerWaalsContact C-N 3.26Å; H105-G107 PolarHBondContact O-N 2.9Å
108	T	95.4	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.1	177.2	-56.9	0	0	0	0	110.4	Y30 M38 T42 M46 N104 T106	Y30-T108 CarbonylContact O-C 3.56Å; Y30-T108 WeakPolarHBondContact O-CA 3.25Å; M38-T108 HydrophobicContact CE-CG2 4.43Å; T42-T108 HydrophobicContact CG2-CG2 4.3Å; M46-T108 WeakPolarHBondContact CB-OG1 3.5Å; M46-T108 WeakPolarHBondContact CG-OG1 3.34Å; N104-T108 PolarHBondContact ND2-O 2.89Å; T106-T108 VanDerWaalsContact C-N 3.26Å; T106-T108 PolarHBondContact O-N 3.39Å; T106-T108 PolarHBondContact OG1-N 3.01Å; T106-T108 PolarHBondContact OG1-O 2.93Å
109	Q	95.9	Very high	96.7	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.9	170.9	-156.4	169.1	-62.1	0	0	109.9	F29 Y30 V31 N32 F111 E140	F29-Q109 HydrophobicContact CE1-CB 4.19Å; F29-Q109 HydrophobicContact CE2-CB 4.24Å; F29-Q109 HydrophobicContact CZ-CB 3.55Å; F29-Q109 HydrophobicContact CZ-CG 4.13Å; Y30-Q109 PolarHBondContact O-N 3.25Å; V31-Q109 HydrophobicContact CB-CB 4.42Å; V31-Q109 HydrophobicContact CG1-CB 4.33Å; V31-Q109 HydrophobicContact CG2-CB 4.19Å; N32-Q109 VanDerWaalsContact CB-O 3.26Å; N32-Q109 WeakPolarHBondContact CB-O 3.39Å; N32-Q109 PolarHBondContact N-O 3.2Å; Q109-F111 PolarHBondContact NE2-O 2.95Å; Q109-E140 VanDerWaalsContact CG-CD 3.48Å; Q109-E140 HydrophobicContact CG-CG 4.4Å; Q109-E140 VanDerWaalsContact CG-OE1 3.26Å; Q109-E140 WeakPolarHBondContact CG-OE1 3.43Å
110	F	97.6	Very high	96.7	Very high	19 Å²	19	46 Å²	46	8%	0.083	23%	0.228	C	C	.	.	S	Bend	trans	-88.7	-30.3	-177	-60.8	-52.4	0	0	0	113.1	N32 M38 M46 N104 T106 L134 P135	N32-F110 PolarHBondContact ND2-O 3.15Å; M38-F110 HydrophobicContact CE-CD1 3.53Å; M38-F110 HydrophobicContact CE-CE1 3.72Å; M46-F110 HydrophobicContact SD-CE1 3.84Å; M46-F110 HydrophobicContact SD-CZ 4.16Å; N104-F110 VanDerWaalsContact ND2-CD2 3.34Å; N104-F110 WeakPolarHBondContact ND2-CD2 3.39Å; N104-F110 VanDerWaalsContact ND2-CE2 3.3Å; N104-F110 WeakPolarHBondContact ND2-CE2 3.47Å; T106-F110 HydrophobicContact CG2-CE2 4.48Å; T106-F110 HydrophobicContact CG2-CZ 3.99Å; F110-L134 HydrophobicContact CB-CB 4.44Å; F110-L134 HydrophobicContact CB-CD1 3.92Å; F110-L134 HydrophobicContact CD1-CD1 4.44Å; F110-L134 HydrophobicContact CD2-CB 3.72Å; F110-L134 HydrophobicContact CD2-CD1 4.1Å; F110-L134 HydrophobicContact CE2-CB 4.35Å; F110-L134 HydrophobicContact CG-CB 4.3Å; F110-L134 HydrophobicContact CG-CD1 3.91Å; F110-P135 VanDerWaalsContact CD2-O 3.31Å; F110-P135 WeakPolarHBondContact CD2-O 3.4Å; F110-P135 HydrophobicContact CE2-CB 4.32Å; F110-P135 HydrophobicContact CE2-CG 4.41Å
111	F	97.5	Very high	96.7	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	22%	0.219	C	C	.	.	S	Bend	trans	-116.8	118.2	-178.5	-50.4	-81.8	0	0	0	110.6	L36 Q109 I113 I125 E128 M129 E132 L134 I136 E140	L36-F111 HydrophobicContact CD1-CE1 3.84Å; L36-F111 HydrophobicContact CD1-CZ 4.29Å; Q109-F111 PolarHBondContact NE2-O 2.95Å; F111-I113 PolarHBondContact O-N 3.39Å; F111-I125 HydrophobicContact CB-CG2 4.07Å; F111-E128 HydrophobicContact CD1-CG 4.33Å; F111-E128 HydrophobicContact CE1-CG 4.04Å; F111-M129 HydrophobicContact CB-CE 3.56Å; F111-M129 HydrophobicContact CB-CG 4.42Å; F111-M129 HydrophobicContact CD1-CG 3.96Å; F111-M129 HydrophobicContact CD2-CE 3.94Å; F111-M129 HydrophobicContact CD2-CG 3.67Å; F111-M129 HydrophobicContact CE1-CG 4.12Å; F111-M129 HydrophobicContact CE2-CB 4.39Å; F111-M129 HydrophobicContact CE2-CG 3.84Å; F111-M129 HydrophobicContact CG-CE 3.84Å; F111-M129 HydrophobicContact CG-CG 3.74Å; F111-M129 HydrophobicContact CZ-CB 4.37Å; F111-M129 HydrophobicContact CZ-CG 4.07Å; F111-E132 HydrophobicContact CE1-CB 4.19Å; F111-E132 HydrophobicContact CE1-CG 4.42Å; F111-E132 HydrophobicContact CZ-CB 4.07Å; F111-L134 HydrophobicContact CE2-CB 3.96Å; F111-L134 HydrophobicContact CZ-CB 4.01Å; F111-L134 HydrophobicContact CZ-CD1 4.25Å; F111-L134 HydrophobicContact CZ-CG 4.34Å; F111-I136 HydrophobicContact CD2-CG2 4.22Å; F111-I136 HydrophobicContact CE2-CG2 4.16Å; F111-E140 HydrophobicContact CB-CG 4.47Å; F111-E140 WeakPolarHBondContact CB-OE1 3.43Å; F111-E140 WeakPolarHBondContact CD2-OE1 3.38Å; F111-E140 PolarHBondContact N-OE1 3.29Å; F111-E140 VanDerWaalsContact N-OE1 3.15Å
112	E	96.5	Very high	96.7	Very high	35 Å²	35	43 Å²	43	16%	0.164	22%	0.218	C	C	.	.			trans	-71.5	115.4	177.9	-173.5	-172.7	-144.6	0	0	111	V31 R33 K114	V31-E112 HydrophobicContact CG1-CB 3.94Å; V31-E112 HydrophobicContact CG1-CG 3.98Å; R33-E112 IonicContact CZ-OE1 3.38Å; R33-E112 IonicContact NE-OE1 2.78Å; R33-E112 IonicContact NH1-OE1 3.55Å; R33-E112 PolarHBondContact NH1-OE1 3.41Å; E112-K114 HydrophobicContact CG-CG 4.28Å; E112-K114 WeakPolarHBondContact OE1-CE 3.37Å; E112-K114 IonicContact OE1-NZ 2.62Å; E112-K114 WeakPolarHBondContact OE2-CE 2.86Å; E112-K114 IonicContact OE2-NZ 3.61Å
113	I	96.3	Very high	96.7	Very high	17 Å²	17	37 Å²	37	9%	0.087	19%	0.19	C	C	.	.			trans	-104.8	105.4	173.6	-54.2	-56.8	0	0	0	110.2	F111 L122 I125 M129 L139 E140 I143	F111-I113 PolarHBondContact O-N 3.39Å; I113-L122 HydrophobicContact CG2-CD2 4.06Å; I113-I125 HydrophobicContact CD1-CB 4.34Å; I113-I125 HydrophobicContact CD1-CD1 4.11Å; I113-I125 HydrophobicContact CD1-CG2 3.58Å; I113-M129 HydrophobicContact CD1-CE 3.79Å; I113-M129 HydrophobicContact CG1-CE 4.38Å; I113-L139 HydrophobicContact CB-CD2 3.86Å; I113-L139 HydrophobicContact CB-CG 4.1Å; I113-L139 HydrophobicContact CG2-CD1 4.37Å; I113-L139 HydrophobicContact CG2-CD2 3.77Å; I113-L139 HydrophobicContact CG2-CG 3.83Å; I113-E140 HydrophobicContact CG1-CG 3.92Å; I113-I143 HydrophobicContact CD1-CG1 4.21Å; I113-I143 HydrophobicContact CG1-CG1 4.45Å; I113-I143 HydrophobicContact CG2-CD1 4.4Å; I113-I143 HydrophobicContact CG2-CG1 3.87Å
114	K	96.8	Very high	96.8	Very high	87 Å²	87	39.5 Å²	39.5	38%	0.378	21%	0.206	S	C	.	.			trans	-90.6	110.7	168.7	-66	-174.1	-174.3	-178.4	0	109.6	E112 S116 R117	E112-K114 HydrophobicContact CG-CG 4.28Å; E112-K114 WeakPolarHBondContact OE1-CE 3.37Å; E112-K114 IonicContact OE1-NZ 2.62Å; E112-K114 WeakPolarHBondContact OE2-CE 2.86Å; E112-K114 IonicContact OE2-NZ 3.61Å; K114-S116 PolarHBondContact O-N 3.41Å; K114-S116 VanDerWaalsContact O-N 3.11Å; K114-R117 HydrophobicContact CB-CG 3.91Å; K114-R117 WeakPolarHBondContact O-CB 3.36Å; K114-R117 PolarHBondContact O-N 2.61Å
115	K	95.9	Very high	96.8	Very high	93 Å²	93	40.1 Å²	40.1	40%	0.404	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	-176.7	-71.4	-178.8	-176.6	169.9	0	114.4	R117 L139 W244	K115-R117 VanDerWaalsContact C-N 3.34Å; K115-L139 HydrophobicContact CG-CD2 4.24Å; K115-W244 HydrophobicContact CB-CZ2 4.2Å; K115-W244 HydrophobicContact CD-CD2 4.41Å; K115-W244 HydrophobicContact CG-CD2 4.39Å; K115-W244 HydrophobicContact CG-CZ2 4.11Å; K115-W244 PolarHBondContact O-NE1 2.84Å
116	S	96.1	Very high	97	Very high	80 Å²	80	33.4 Å²	33.4	56%	0.559	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-3.6	177.2	56.9	0	0	0	0	114.2	K114 Q241	K114-S116 PolarHBondContact O-N 3.41Å; K114-S116 VanDerWaalsContact O-N 3.11Å; S116-Q241 PolarHBondContact O-NE2 3.07Å
117	R	97.3	Very high	97.2	Very high	88 Å²	88	35.6 Å²	35.6	33%	0.332	18%	0.184	S	C	.	.	S	Bend	trans	-68.1	147.2	175.6	-80.6	-178.5	174.9	-174.9	3.2	110.9	K114 K115 A121 L122	K114-R117 HydrophobicContact CB-CG 3.91Å; K114-R117 WeakPolarHBondContact O-CB 3.36Å; K114-R117 PolarHBondContact O-N 2.61Å; K115-R117 VanDerWaalsContact C-N 3.34Å; R117-A121 HydrophobicContact CB-CB 4.26Å; R117-L122 HydrophobicContact CB-CD2 4.05Å; R117-L122 HydrophobicContact CB-CG 4.15Å
118	P	98.3	Very high	97.5	Very high	45 Å²	45	37.6 Å²	37.6	29%	0.292	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-61.8	153.1	172	28.5	-35.5	0	0	0	110.6	T120 A121 L122 V239	P118-T120 VanDerWaalsContact C-N 3.26Å; P118-T120 HydrophobicContact CB-CG2 4.3Å; P118-T120 HydrophobicContact CG-CG2 4.26Å; P118-T120 PolarHBondContact O-N 3.29Å; P118-A121 HydrophobicContact CG-CB 4.01Å; P118-A121 PolarHBondContact O-N 2.81Å; P118-L122 PolarHBondContact O-N 3.41Å; P118-V239 WeakPolarHBondContact CB-O 3.42Å
119	L	98.2	Very high	97.7	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-53.9	-43.2	-176.5	-178.1	62.2	0	0	0	111.9	A121 L122 M123 I146 V232 S233 E240 I242	L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 2.79Å; L119-L122 CarbonylContact O-C 3.6Å; L119-L122 WeakPolarHBondContact O-CA 3.49Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.23Å; L119-M123 HydrophobicContact CD1-CE 3.85Å; L119-M123 HydrophobicContact CD1-CG 4.38Å; L119-M123 HydrophobicContact CD1-SD 4.48Å; L119-M123 HydrophobicContact CG-CG 4.28Å; L119-M123 WeakPolarHBondContact O-CG 3.44Å; L119-M123 PolarHBondContact O-N 3.47Å; L119-I146 HydrophobicContact CD1-CG2 4.1Å; L119-V232 HydrophobicContact CD1-CG1 3.89Å; L119-V232 HydrophobicContact CD2-CG1 3.94Å; L119-S233 WeakPolarHBondContact CD2-O 3.4Å; L119-E240 WeakPolarHBondContact CB-O 3.28Å; L119-E240 PolarHBondContact N-O 2.99Å; L119-I242 HydrophobicContact CD1-CD1 4.02Å; L119-I242 HydrophobicContact CD1-CG1 4.1Å
120	T	98.5	Very high	97.8	Very high	35 Å²	35	37.9 Å²	37.9	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-54.4	-40.7	177.1	-171.7	0	0	0	0	113.6	P118 M123 D124 P236 S238	P118-T120 VanDerWaalsContact C-N 3.26Å; P118-T120 HydrophobicContact CB-CG2 4.3Å; P118-T120 HydrophobicContact CG-CG2 4.26Å; P118-T120 PolarHBondContact O-N 3.29Å; T120-M123 PolarHBondContact O-N 2.76Å; T120-D124 PolarHBondContact O-N 2.82Å; T120-D124 VanDerWaalsContact O-N 3.14Å; T120-P236 VanDerWaalsContact CA-O 3.28Å; T120-P236 WeakPolarHBondContact CA-O 3.41Å; T120-S238 PolarHBondContact N-O 3.14Å
121	A	98.4	Very high	97.7	Very high	26 Å²	26	44.8 Å²	44.8	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-32.2	179.2	0	0	0	0	0	111.8	R117 P118 L119 M123 D124 I125	R117-A121 HydrophobicContact CB-CB 4.26Å; P118-A121 HydrophobicContact CG-CB 4.01Å; P118-A121 PolarHBondContact O-N 2.81Å; L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 2.79Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-D124 PolarHBondContact O-N 2.94Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 2.72Å
122	L	98.6	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69	-34.6	173	-62.5	173.2	0	0	0	111.5	I113 R117 P118 L119 I125 A126 I143 I242 W244	I113-L122 HydrophobicContact CG2-CD2 4.06Å; R117-L122 HydrophobicContact CB-CD2 4.05Å; R117-L122 HydrophobicContact CB-CG 4.15Å; P118-L122 PolarHBondContact O-N 3.41Å; L119-L122 CarbonylContact O-C 3.6Å; L119-L122 WeakPolarHBondContact O-CA 3.49Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.23Å; L122-I125 HydrophobicContact CD2-CD1 4.33Å; L122-I125 PolarHBondContact O-N 3.48Å; L122-A126 PolarHBondContact O-N 2.84Å; L122-I143 HydrophobicContact CB-CD1 4.22Å; L122-I143 HydrophobicContact CB-CG2 4.1Å; L122-I143 HydrophobicContact CD1-CD1 3.9Å; L122-I143 HydrophobicContact CD2-CD1 4.26Å; L122-I143 HydrophobicContact CG-CD1 4.36Å; L122-I143 VanDerWaalsContact O-CG2 3.28Å; L122-I143 WeakPolarHBondContact O-CG2 3.28Å; L122-I242 HydrophobicContact CD1-CD1 3.71Å; L122-I242 HydrophobicContact CD1-CG1 4.33Å; L122-W244 HydrophobicContact CD1-CZ2 4.41Å
123	M	98.6	Very high	97.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-34	174.9	-65.8	-58.6	92.2	0	0	112.5	L119 T120 A121 A126 K127 I143 I146 H147 N150 P236	L119-M123 HydrophobicContact CD1-CE 3.85Å; L119-M123 HydrophobicContact CD1-CG 4.38Å; L119-M123 HydrophobicContact CD1-SD 4.48Å; L119-M123 HydrophobicContact CG-CG 4.28Å; L119-M123 WeakPolarHBondContact O-CG 3.44Å; L119-M123 PolarHBondContact O-N 3.47Å; T120-M123 PolarHBondContact O-N 2.76Å; A121-M123 VanDerWaalsContact C-N 3.34Å; M123-A126 PolarHBondContact O-N 3.08Å; M123-K127 WeakPolarHBondContact O-CG 3.45Å; M123-K127 PolarHBondContact O-N 3.22Å; M123-I143 HydrophobicContact CE-CG2 4.25Å; M123-I146 HydrophobicContact CE-CB 4.13Å; M123-I146 HydrophobicContact CE-CG2 3.61Å; M123-I146 HydrophobicContact SD-CG2 4.13Å; M123-H147 HydrophobicContact CE-CB 4.17Å; M123-H147 HydrophobicContact SD-CB 3.76Å; M123-N150 PolarHBondContact SD-ND2 3Å; M123-P236 HydrophobicContact CG-CB 4.15Å
124	D	98.4	Very high	97.9	Very high	83 Å²	83	49 Å²	49	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-67.1	-37.8	173.9	-67.9	-29.3	0	0	0	111.9	T120 A121 K127 E128	T120-D124 PolarHBondContact O-N 2.82Å; T120-D124 VanDerWaalsContact O-N 3.14Å; A121-D124 PolarHBondContact O-N 2.94Å; D124-K127 PolarHBondContact O-N 3.39Å; D124-K127 IonicContact OD1-NZ 3.88Å; D124-K127 PolarHBondContact OD1-NZ 3.21Å; D124-E128 PolarHBondContact O-N 3.05Å
125	I	98.4	Very high	98	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-40.9	171.6	-61.9	161.6	0	0	0	110.9	F111 I113 A121 L122 K127 E128 M129	F111-I125 HydrophobicContact CB-CG2 4.07Å; I113-I125 HydrophobicContact CD1-CB 4.34Å; I113-I125 HydrophobicContact CD1-CD1 4.11Å; I113-I125 HydrophobicContact CD1-CG2 3.58Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 2.72Å; L122-I125 HydrophobicContact CD2-CD1 4.33Å; L122-I125 PolarHBondContact O-N 3.48Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 2.74Å; I125-E128 WeakPolarHBondContact O-CA 3.22Å; I125-E128 WeakPolarHBondContact O-CB 3.46Å; I125-E128 PolarHBondContact O-N 3.44Å; I125-E128 VanDerWaalsContact O-N 3.09Å; I125-M129 HydrophobicContact CG2-CE 3.84Å; I125-M129 WeakPolarHBondContact O-CG 3.27Å; I125-M129 PolarHBondContact O-N 3.05Å
126	A	98.6	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-37.3	176.6	0	0	0	0	0	112.7	L122 M123 E128 M129 T130 I143 H147	L122-A126 PolarHBondContact O-N 2.84Å; M123-A126 PolarHBondContact O-N 3.08Å; A126-E128 VanDerWaalsContact C-N 3.32Å; A126-M129 WeakPolarHBondContact O-CB 3.02Å; A126-M129 PolarHBondContact O-N 3.07Å; A126-T130 PolarHBondContact O-N 3.35Å; A126-T130 VanDerWaalsContact O-N 3.15Å; A126-I143 HydrophobicContact CB-CG2 4.11Å; A126-H147 HydrophobicContact CB-CB 3.39Å
127	K	98.3	Very high	98.2	Very high	87 Å²	87	39.3 Å²	39.3	38%	0.378	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-35.8	173	-66	168.5	-163.7	158.7	0	111.9	M123 D124 I125 T130 R131	M123-K127 WeakPolarHBondContact O-CG 3.45Å; M123-K127 PolarHBondContact O-N 3.22Å; D124-K127 PolarHBondContact O-N 3.39Å; D124-K127 IonicContact OD1-NZ 3.88Å; D124-K127 PolarHBondContact OD1-NZ 3.21Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 2.74Å; K127-T130 PolarHBondContact O-N 2.99Å; K127-T130 PolarHBondContact O-OG1 3.22Å; K127-R131 PolarHBondContact O-N 3.28Å; K127-R131 VanDerWaalsContact O-N 3.16Å
128	E	98.1	Very high	98.2	Very high	52 Å²	52	36.1 Å²	36.1	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-43.4	173	-174.7	174.4	-151.8	0	0	110.7	F111 D124 I125 A126 T130 R131 E132	F111-E128 HydrophobicContact CD1-CG 4.33Å; F111-E128 HydrophobicContact CE1-CG 4.04Å; D124-E128 PolarHBondContact O-N 3.05Å; I125-E128 WeakPolarHBondContact O-CA 3.22Å; I125-E128 WeakPolarHBondContact O-CB 3.46Å; I125-E128 PolarHBondContact O-N 3.44Å; I125-E128 VanDerWaalsContact O-N 3.09Å; A126-E128 VanDerWaalsContact C-N 3.32Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 2.96Å; E128-R131 PolarHBondContact O-N 3.24Å; E128-R131 VanDerWaalsContact O-N 3.12Å; E128-E132 HydrophobicContact CG-CG 3.89Å; E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 VanDerWaalsContact O-CG 3.3Å; E128-E132 WeakPolarHBondContact O-CG 3.42Å; E128-E132 PolarHBondContact O-N 3.39Å
129	M	98.6	Very high	98.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-56.6	-40.4	175.1	-67.2	169.2	173.1	0	0	112.8	F111 I113 I125 A126 A133 E140 L144	F111-M129 HydrophobicContact CB-CE 3.56Å; F111-M129 HydrophobicContact CB-CG 4.42Å; F111-M129 HydrophobicContact CD1-CG 3.96Å; F111-M129 HydrophobicContact CD2-CE 3.94Å; F111-M129 HydrophobicContact CD2-CG 3.67Å; F111-M129 HydrophobicContact CE1-CG 4.12Å; F111-M129 HydrophobicContact CE2-CB 4.39Å; F111-M129 HydrophobicContact CE2-CG 3.84Å; F111-M129 HydrophobicContact CG-CE 3.84Å; F111-M129 HydrophobicContact CG-CG 3.74Å; F111-M129 HydrophobicContact CZ-CB 4.37Å; F111-M129 HydrophobicContact CZ-CG 4.07Å; I113-M129 HydrophobicContact CD1-CE 3.79Å; I113-M129 HydrophobicContact CG1-CE 4.38Å; I125-M129 HydrophobicContact CG2-CE 3.84Å; I125-M129 WeakPolarHBondContact O-CG 3.27Å; I125-M129 PolarHBondContact O-N 3.05Å; A126-M129 WeakPolarHBondContact O-CB 3.02Å; A126-M129 PolarHBondContact O-N 3.07Å; M129-A133 WeakPolarHBondContact O-CA 3.08Å; M129-A133 PolarHBondContact O-N 2.88Å; M129-E140 HydrophobicContact CE-CB 3.43Å; M129-E140 VanDerWaalsContact CE-CB 3.43Å; M129-E140 HydrophobicContact CE-CG 3.51Å; M129-E140 HydrophobicContact SD-CB 4.31Å; M129-L144 HydrophobicContact SD-CB 4.15Å
130	T	98.1	Very high	98.2	Very high	25 Å²	25	35 Å²	35	15%	0.153	18%	0.177	C	C	.	.	H	α-helix	trans	-72.3	-31.3	178.6	60.5	0	0	0	0	113.1	V78 Y97 A126 K127 E128 L144	V78-T130 HydrophobicContact CG2-CG2 3.93Å; Y97-T130 HydrophobicContact CE1-CG2 4.27Å; Y97-T130 WeakPolarHBondContact OH-CA 3.2Å; Y97-T130 WeakPolarHBondContact OH-CB 3.39Å; Y97-T130 WeakPolarHBondContact OH-CG2 3.47Å; A126-T130 PolarHBondContact O-N 3.35Å; A126-T130 VanDerWaalsContact O-N 3.15Å; K127-T130 PolarHBondContact O-N 2.99Å; K127-T130 PolarHBondContact O-OG1 3.22Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 2.96Å; T130-L144 HydrophobicContact CG2-CD1 3.69Å
131	R	97.3	Very high	98.3	Very high	165 Å²	165	33.3 Å²	33.3	62%	0.623	17%	0.167	S	C	*	.	H	α-helix	trans	-74.7	-44.2	176.9	-177.4	179.4	62.6	-151.8	-9.9	112.4	K127 E128	K127-R131 PolarHBondContact O-N 3.28Å; K127-R131 VanDerWaalsContact O-N 3.16Å; E128-R131 PolarHBondContact O-N 3.24Å; E128-R131 VanDerWaalsContact O-N 3.12Å
132	E	97.7	Very high	98.3	Very high	71 Å²	71	32.1 Å²	32.1	33%	0.332	16%	0.157	S	C	.	.	H	α-helix	trans	-87.6	-22	-173.3	-55.5	-58.2	144.4	0	0	112.7	L36 F111 E128 L134	L36-E132 HydrophobicContact CD1-CB 3.79Å; L36-E132 HydrophobicContact CD1-CG 3.62Å; F111-E132 HydrophobicContact CE1-CB 4.19Å; F111-E132 HydrophobicContact CE1-CG 4.42Å; F111-E132 HydrophobicContact CZ-CB 4.07Å; E128-E132 HydrophobicContact CG-CG 3.89Å; E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 VanDerWaalsContact O-CG 3.3Å; E128-E132 WeakPolarHBondContact O-CG 3.42Å; E128-E132 PolarHBondContact O-N 3.39Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 HydrophobicContact CB-CG 4.41Å; E132-L134 PolarHBondContact O-N 3.33Å
133	A	98	Very high	98.3	Very high	23 Å²	23	32.1 Å²	32.1	19%	0.19	16%	0.157	C	C	.	.			trans	49.7	43.1	172.2	0	0	0	0	0	115	V75 P76 L101 M129	V75-A133 HydrophobicContact CG1-CB 3.94Å; P76-A133 HydrophobicContact CG-CB 4.49Å; L101-A133 HydrophobicContact CD2-CB 3.96Å; M129-A133 WeakPolarHBondContact O-CA 3.08Å; M129-A133 PolarHBondContact O-N 2.88Å
134	L	98.3	Very high	98.3	Very high	51 Å²	51	32.1 Å²	32.1	27%	0.267	16%	0.157	S	C	.	.			trans	-92.8	158.8	177.5	-61.2	178.6	0	0	0	112.1	L36 F110 F111 E132	L36-L134 HydrophobicContact CD1-CD1 3.66Å; L36-L134 HydrophobicContact CD2-CD1 3.96Å; L36-L134 HydrophobicContact CG-CD1 4.49Å; F110-L134 HydrophobicContact CB-CB 4.44Å; F110-L134 HydrophobicContact CB-CD1 3.92Å; F110-L134 HydrophobicContact CD1-CD1 4.44Å; F110-L134 HydrophobicContact CD2-CB 3.72Å; F110-L134 HydrophobicContact CD2-CD1 4.1Å; F110-L134 HydrophobicContact CE2-CB 4.35Å; F110-L134 HydrophobicContact CG-CB 4.3Å; F110-L134 HydrophobicContact CG-CD1 3.91Å; F111-L134 HydrophobicContact CE2-CB 3.96Å; F111-L134 HydrophobicContact CZ-CB 4.01Å; F111-L134 HydrophobicContact CZ-CD1 4.25Å; F111-L134 HydrophobicContact CZ-CG 4.34Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 HydrophobicContact CB-CG 4.41Å; E132-L134 PolarHBondContact O-N 3.33Å
135	P	98.5	Very high	98.3	Very high	32 Å²	32	28.1 Å²	28.1	21%	0.208	14%	0.136	C	C	.	.			trans	-54.9	138.9	173.3	-27	34.8	0	0	0	114.6	L101 Q102 N104 F110	L101-P135 WeakPolarHBondContact O-CA 3.36Å; Q102-P135 WeakPolarHBondContact O-CA 3.24Å; N104-P135 HydrophobicContact CB-CB 3.79Å; N104-P135 PolarHBondContact ND2-O 3.43Å; F110-P135 VanDerWaalsContact CD2-O 3.31Å; F110-P135 WeakPolarHBondContact CD2-O 3.4Å; F110-P135 HydrophobicContact CE2-CB 4.32Å; F110-P135 HydrophobicContact CE2-CG 4.41Å
136	I	98.4	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-123.1	163.3	-174.8	56	173.3	0	0	0	112.2	I98 L101 Q102 Y103 N104 F111 E140 A141 L144 M189	I98-I136 HydrophobicContact CG2-CD1 4.26Å; L101-I136 HydrophobicContact CB-CD1 4.4Å; L101-I136 HydrophobicContact CB-CG1 4.22Å; L101-I136 HydrophobicContact CD1-CD1 3.82Å; L101-I136 HydrophobicContact CD1-CG1 4.4Å; Q102-I136 PolarHBondContact O-N 3.36Å; Q102-I136 VanDerWaalsContact O-N 3.09Å; Y103-I136 CarbonylContact C-O 3.58Å; Y103-I136 WeakPolarHBondContact CA-O 3.28Å; N104-I136 PolarHBondContact N-O 2.93Å; F111-I136 HydrophobicContact CD2-CG2 4.22Å; F111-I136 HydrophobicContact CE2-CG2 4.16Å; I136-E140 WeakPolarHBondContact CA-OE2 3.15Å; I136-E140 HydrophobicContact CB-CB 3.79Å; I136-E140 HydrophobicContact CG2-CB 3.95Å; I136-A141 HydrophobicContact CD1-CB 3.93Å; I136-L144 HydrophobicContact CD1-CD2 3.8Å; I136-M189 HydrophobicContact CD1-CE 4.47Å; I136-M189 HydrophobicContact CG1-CE 4.16Å
137	K	97.2	Very high	98.3	Very high	25 Å²	25	29.7 Å²	29.7	11%	0.109	14%	0.142	C	C	.	.			trans	-110.5	-177.4	171.7	-67.9	-165.1	162.7	-172.3	0	112.1	F29 Y103 N104 L139 E140 A141	F29-K137 HydrophobicContact CE2-CD 3.85Å; F29-K137 HydrophobicContact CZ-CD 3.73Å; Y103-K137 HydrophobicContact CE1-CG 4.37Å; N104-K137 HydrophobicContact CB-CG 3.9Å; N104-K137 WeakPolarHBondContact O-CE 3.49Å; K137-L139 PolarHBondContact O-N 3.28Å; K137-E140 PolarHBondContact N-OE2 3.36Å; K137-E140 PolarHBondContact O-N 2.98Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 2.81Å
138	C	97.9	Very high	98.3	Very high	21 Å²	21	26.6 Å²	26.6	14%	0.142	13%	0.13	C	C	.	.	H	α-helix	trans	-52.2	-47.9	-177.1	53.6	0	0	0	0	113.8	A141 V142 I174 M189	C138-A141 PolarHBondContact O-N 3.46Å; C138-V142 WeakPolarHBondContact O-CG2 3.44Å; C138-V142 PolarHBondContact O-N 3.33Å; C138-V142 VanDerWaalsContact O-N 3.09Å; C138-I174 HydrophobicContact CB-CG2 4.1Å; C138-I174 WeakPolarHBondContact CB-O 3.48Å; C138-M189 VanDerWaalsContact CA-O 3.28Å; C138-M189 WeakPolarHBondContact CA-O 2.82Å; C138-M189 VanDerWaalsContact CB-O 3.26Å; C138-M189 WeakPolarHBondContact CB-O 3.16Å
139	L	98.3	Very high	98.4	Very high	24 Å²	24	24.1 Å²	24.1	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-69.6	-41.6	-178.7	-177.2	60.3	0	0	0	112.7	I113 K115 K137 A141 V142 I143 I174 W244	I113-L139 HydrophobicContact CB-CD2 3.86Å; I113-L139 HydrophobicContact CB-CG 4.1Å; I113-L139 HydrophobicContact CG2-CD1 4.37Å; I113-L139 HydrophobicContact CG2-CD2 3.77Å; I113-L139 HydrophobicContact CG2-CG 3.83Å; K115-L139 HydrophobicContact CG-CD2 4.24Å; K137-L139 PolarHBondContact O-N 3.28Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.91Å; L139-V142 WeakPolarHBondContact O-CB 3.13Å; L139-V142 PolarHBondContact O-N 3.46Å; L139-I143 PolarHBondContact O-N 3.17Å; L139-I174 HydrophobicContact CB-CG2 4.21Å; L139-I174 HydrophobicContact CD1-CD1 4.29Å; L139-I174 HydrophobicContact CD1-CG2 4.28Å; L139-W244 HydrophobicContact CD1-CH2 4.07Å; L139-W244 HydrophobicContact CD1-CZ3 4.03Å
140	E	98.7	Very high	98.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-42.7	175.4	-69.4	164.4	124.1	0	0	110.7	Q109 F111 I113 M129 I136 K137 V142 I143 L144	Q109-E140 VanDerWaalsContact CG-CD 3.48Å; Q109-E140 HydrophobicContact CG-CG 4.4Å; Q109-E140 VanDerWaalsContact CG-OE1 3.26Å; Q109-E140 WeakPolarHBondContact CG-OE1 3.43Å; F111-E140 HydrophobicContact CB-CG 4.47Å; F111-E140 WeakPolarHBondContact CB-OE1 3.43Å; F111-E140 WeakPolarHBondContact CD2-OE1 3.38Å; F111-E140 PolarHBondContact N-OE1 3.29Å; F111-E140 VanDerWaalsContact N-OE1 3.15Å; I113-E140 HydrophobicContact CG1-CG 3.92Å; M129-E140 HydrophobicContact CE-CB 3.43Å; M129-E140 VanDerWaalsContact CE-CB 3.43Å; M129-E140 HydrophobicContact CE-CG 3.51Å; M129-E140 HydrophobicContact SD-CB 4.31Å; I136-E140 WeakPolarHBondContact CA-OE2 3.15Å; I136-E140 HydrophobicContact CB-CB 3.79Å; I136-E140 HydrophobicContact CG2-CB 3.95Å; K137-E140 PolarHBondContact N-OE2 3.36Å; K137-E140 PolarHBondContact O-N 2.98Å; E140-V142 VanDerWaalsContact C-N 3.32Å; E140-V142 PolarHBondContact O-N 2.8Å; E140-I143 PolarHBondContact O-N 2.94Å; E140-L144 WeakPolarHBondContact O-CB 2.94Å; E140-L144 PolarHBondContact O-N 2.92Å
141	A	98.8	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-35	176.2	0	0	0	0	0	113.2	I98 I136 K137 C138 L139 A145 M189	I98-A141 HydrophobicContact CG2-CB 4.16Å; I136-A141 HydrophobicContact CD1-CB 3.93Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 2.81Å; C138-A141 PolarHBondContact O-N 3.46Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.91Å; A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.36Å; A141-M189 HydrophobicContact CB-CB 3.34Å; A141-M189 HydrophobicContact CB-CG 4.48Å
142	V	98.9	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-46.9	173.5	168.8	0	0	0	0	110.9	C138 L139 E140 A145 I146 I174 L176 W244	C138-V142 WeakPolarHBondContact O-CG2 3.44Å; C138-V142 PolarHBondContact O-N 3.33Å; C138-V142 VanDerWaalsContact O-N 3.09Å; L139-V142 WeakPolarHBondContact O-CB 3.13Å; L139-V142 PolarHBondContact O-N 3.46Å; E140-V142 VanDerWaalsContact C-N 3.32Å; E140-V142 PolarHBondContact O-N 2.8Å; V142-A145 PolarHBondContact O-N 3.11Å; V142-I146 HydrophobicContact CG1-CD1 4.07Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.35Å; V142-I146 PolarHBondContact O-N 3.43Å; V142-I174 HydrophobicContact CG1-CD1 4.48Å; V142-I174 HydrophobicContact CG2-CB 4.49Å; V142-I174 HydrophobicContact CG2-CD1 4.32Å; V142-I174 HydrophobicContact CG2-CG1 4.03Å; V142-I174 HydrophobicContact CG2-CG2 4.03Å; V142-L176 HydrophobicContact CG1-CB 4.41Å; V142-L176 HydrophobicContact CG1-CD1 4.14Å; V142-L176 HydrophobicContact CG2-CB 4.41Å; V142-W244 HydrophobicContact CG1-CZ3 4.19Å
143	I	98.9	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-43.9	178.5	-63	-54.3	0	0	0	111.3	I113 L122 M123 A126 L139 E140 I146 H147 I242 W244	I113-I143 HydrophobicContact CD1-CG1 4.21Å; I113-I143 HydrophobicContact CG1-CG1 4.45Å; I113-I143 HydrophobicContact CG2-CD1 4.4Å; I113-I143 HydrophobicContact CG2-CG1 3.87Å; L122-I143 HydrophobicContact CB-CD1 4.22Å; L122-I143 HydrophobicContact CB-CG2 4.1Å; L122-I143 HydrophobicContact CD1-CD1 3.9Å; L122-I143 HydrophobicContact CD2-CD1 4.26Å; L122-I143 HydrophobicContact CG-CD1 4.36Å; L122-I143 VanDerWaalsContact O-CG2 3.28Å; L122-I143 WeakPolarHBondContact O-CG2 3.28Å; M123-I143 HydrophobicContact CE-CG2 4.25Å; A126-I143 HydrophobicContact CB-CG2 4.11Å; L139-I143 PolarHBondContact O-N 3.17Å; E140-I143 PolarHBondContact O-N 2.94Å; I143-I146 HydrophobicContact CD1-CD1 4.49Å; I143-I146 PolarHBondContact O-N 3.33Å; I143-H147 PolarHBondContact O-N 2.82Å; I143-H147 VanDerWaalsContact O-N 3.08Å; I143-I242 HydrophobicContact CD1-CD1 4.01Å; I143-W244 HydrophobicContact CD1-CH2 3.74Å; I143-W244 HydrophobicContact CD1-CZ2 4.34Å
144	L	98.9	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-43.9	176.4	-179.9	60.2	0	0	0	111.9	Y97 I98 L101 M129 T130 I136 E140 I146 H147 L148	Y97-L144 HydrophobicContact CE1-CD1 4.36Å; Y97-L144 HydrophobicContact CE1-CD2 4.04Å; I98-L144 HydrophobicContact CG1-CD2 4.09Å; I98-L144 HydrophobicContact CG1-CG 4.5Å; L101-L144 HydrophobicContact CD1-CD2 3.44Å; L101-L144 VanDerWaalsContact CD1-CD2 3.44Å; M129-L144 HydrophobicContact SD-CB 4.15Å; T130-L144 HydrophobicContact CG2-CD1 3.69Å; I136-L144 HydrophobicContact CD1-CD2 3.8Å; E140-L144 WeakPolarHBondContact O-CB 2.94Å; E140-L144 PolarHBondContact O-N 2.92Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 PolarHBondContact O-N 3.46Å; L144-H147 WeakPolarHBondContact O-CB 3.41Å; L144-H147 PolarHBondContact O-N 3.36Å; L144-H147 VanDerWaalsContact O-N 3.17Å; L144-L148 HydrophobicContact CD1-CD1 3.97Å; L144-L148 HydrophobicContact CD1-CG 4.12Å; L144-L148 HydrophobicContact CG-CD1 3.85Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 2.92Å
145	A	98.8	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-39.9	177.5	0	0	0	0	0	111.8	I98 A141 V142 L148 T149 L176 L187	I98-A145 HydrophobicContact CD1-CB 3.94Å; A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.36Å; V142-A145 PolarHBondContact O-N 3.11Å; A145-L148 PolarHBondContact O-N 2.8Å; A145-T149 WeakPolarHBondContact O-CB 3.43Å; A145-T149 WeakPolarHBondContact O-CG2 3.36Å; A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 VanDerWaalsContact O-N 3.15Å; A145-T149 PolarHBondContact O-OG1 3.08Å; A145-L176 HydrophobicContact CB-CB 4.3Å; A145-L176 HydrophobicContact CB-CD2 3.57Å; A145-L187 HydrophobicContact CB-CB 3.95Å; A145-L187 HydrophobicContact CB-CD1 3.96Å
146	I	98.8	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-50.4	172.5	-70.3	164.5	0	0	0	109.7	L119 M123 V142 I143 L144 L148 T149 N150 R157 L176 V232 I242	L119-I146 HydrophobicContact CD1-CG2 4.1Å; M123-I146 HydrophobicContact CE-CB 4.13Å; M123-I146 HydrophobicContact CE-CG2 3.61Å; M123-I146 HydrophobicContact SD-CG2 4.13Å; V142-I146 HydrophobicContact CG1-CD1 4.07Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.35Å; V142-I146 PolarHBondContact O-N 3.43Å; I143-I146 HydrophobicContact CD1-CD1 4.49Å; I143-I146 PolarHBondContact O-N 3.33Å; L144-I146 VanDerWaalsContact C-N 3.33Å; L144-I146 PolarHBondContact O-N 3.46Å; I146-L148 PolarHBondContact O-N 3.5Å; I146-T149 PolarHBondContact O-N 2.86Å; I146-T149 PolarHBondContact O-OG1 3.37Å; I146-T149 VanDerWaalsContact O-OG1 3.07Å; I146-N150 PolarHBondContact O-N 2.86Å; I146-N150 VanDerWaalsContact O-N 3.14Å; I146-N150 PolarHBondContact O-OD1 2.83Å; I146-R157 PolarHBondContact O-NH1 2.93Å; I146-L176 HydrophobicContact CD1-CD1 3.99Å; I146-L176 HydrophobicContact CG1-CD1 3.6Å; I146-L176 HydrophobicContact CG1-CD2 3.84Å; I146-L176 HydrophobicContact CG1-CG 4.38Å; I146-V232 HydrophobicContact CD1-CG1 4.27Å; I146-V232 HydrophobicContact CD1-CG2 4.14Å; I146-V232 HydrophobicContact CG2-CG1 3.87Å; I146-I242 HydrophobicContact CD1-CD1 3.7Å
147	H	98.6	Very high	97.3	Very high	45 Å²	45	24.5 Å²	24.5	21%	0.208	14%	0.143	C	C	.	.	H	α-helix	trans	-56.9	-48	179.3	177.6	72.1	0	0	0	112.7	M123 A126 I143 L144 T149 N150	M123-H147 HydrophobicContact CE-CB 4.17Å; M123-H147 HydrophobicContact SD-CB 3.76Å; A126-H147 HydrophobicContact CB-CB 3.39Å; I143-H147 PolarHBondContact O-N 2.82Å; I143-H147 VanDerWaalsContact O-N 3.08Å; L144-H147 WeakPolarHBondContact O-CB 3.41Å; L144-H147 PolarHBondContact O-N 3.36Å; L144-H147 VanDerWaalsContact O-N 3.17Å; H147-T149 PolarHBondContact O-N 2.91Å; H147-N150 PolarHBondContact O-N 3.38Å
148	L	98.4	Very high	97.4	Very high	22 Å²	22	23.3 Å²	23.3	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-70.1	-15.8	-177.2	-65.5	172.7	0	0	0	113.9	V78 I94 Y97 L144 A145 I146	V78-L148 HydrophobicContact CG1-CD2 3.71Å; I94-L148 HydrophobicContact CD1-CB 4.03Å; I94-L148 HydrophobicContact CG1-CB 4.17Å; I94-L148 HydrophobicContact CG2-CB 4.03Å; I94-L148 HydrophobicContact CG2-CD1 3.86Å; Y97-L148 HydrophobicContact CD1-CD1 3.66Å; Y97-L148 HydrophobicContact CE1-CD1 4.03Å; L144-L148 HydrophobicContact CD1-CD1 3.97Å; L144-L148 HydrophobicContact CD1-CG 4.12Å; L144-L148 HydrophobicContact CG-CD1 3.85Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 2.92Å; A145-L148 PolarHBondContact O-N 2.8Å; I146-L148 PolarHBondContact O-N 3.5Å
149	T	98.3	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-109.1	-0.3	-178.9	51.8	0	0	0	0	113.7	L91 I94 A145 I146 H147 N151 M152 R157 L187	L91-T149 HydrophobicContact CD2-CG2 4.19Å; I94-T149 HydrophobicContact CD1-CG2 3.42Å; I94-T149 VanDerWaalsContact CD1-CG2 3.42Å; A145-T149 WeakPolarHBondContact O-CB 3.43Å; A145-T149 WeakPolarHBondContact O-CG2 3.36Å; A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 VanDerWaalsContact O-N 3.15Å; A145-T149 PolarHBondContact O-OG1 3.08Å; I146-T149 PolarHBondContact O-N 2.86Å; I146-T149 PolarHBondContact O-OG1 3.37Å; I146-T149 VanDerWaalsContact O-OG1 3.07Å; H147-T149 PolarHBondContact O-N 2.91Å; T149-N151 VanDerWaalsContact C-N 3.25Å; T149-N151 PolarHBondContact O-N 3.17Å; T149-M152 HydrophobicContact CG2-SD 4.03Å; T149-M152 WeakPolarHBondContact O-CB 3.5Å; T149-M152 PolarHBondContact O-N 3.43Å; T149-R157 WeakPolarHBondContact OG1-CD 3.47Å; T149-L187 HydrophobicContact CG2-CD1 3.93Å
150	N	97	Very high	97.5	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.048	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40.5	-179.9	-82.3	-25.6	0	0	0	112.6	M123 I146 H147 M152 R157 H234	M123-N150 PolarHBondContact SD-ND2 3Å; I146-N150 PolarHBondContact O-N 2.86Å; I146-N150 VanDerWaalsContact O-N 3.14Å; I146-N150 PolarHBondContact O-OD1 2.83Å; H147-N150 PolarHBondContact O-N 3.38Å; N150-M152 PolarHBondContact O-N 2.96Å; N150-M152 VanDerWaalsContact O-N 3.14Å; N150-R157 PolarHBondContact OD1-NH1 3.12Å; N150-R157 PolarHBondContact OD1-NH2 3.43Å; N150-H234 PolarHBondContact O-ND1 3.4Å
151	N	93.5	Very high	97.5	Very high	148 Å²	148	22 Å²	22	79%	0.791	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	20.2	-180	-65.4	-25.2	0	0	0	113.9	T149 P153	T149-N151 VanDerWaalsContact C-N 3.25Å; T149-N151 PolarHBondContact O-N 3.17Å; N151-P153 WeakPolarHBondContact O-CD 3.4Å
152	M	95.5	Very high	97.4	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.044	13%	0.132	C	C	.	.			trans	-118.7	75.8	177.9	-60.7	175.1	66.6	0	0	110.2	I87 R90 L91 I94 T149 N150 G154 V155 H234	I87-M152 HydrophobicContact CG1-CE 4.44Å; I87-M152 HydrophobicContact CG2-CE 4.11Å; R90-M152 HydrophobicContact CB-CE 3.7Å; R90-M152 HydrophobicContact CB-SD 4.3Å; R90-M152 HydrophobicContact CG-CE 4.47Å; L91-M152 HydrophobicContact CD2-CE 4.27Å; L91-M152 HydrophobicContact CG-CE 4.4Å; I94-M152 HydrophobicContact CD1-SD 4.02Å; T149-M152 HydrophobicContact CG2-SD 4.03Å; T149-M152 WeakPolarHBondContact O-CB 3.5Å; T149-M152 PolarHBondContact O-N 3.43Å; N150-M152 PolarHBondContact O-N 2.96Å; N150-M152 VanDerWaalsContact O-N 3.14Å; M152-G154 PolarHBondContact O-N 2.98Å; M152-V155 HydrophobicContact CB-CB 4.15Å; M152-V155 HydrophobicContact CB-CG2 4.04Å; M152-V155 HydrophobicContact CE-CG2 3.69Å; M152-V155 PolarHBondContact O-N 3.17Å; M152-H234 PolarHBondContact O-CE1 3.26Å
153	P	90.6	Very high	97.4	Very high	109 Å²	109	24 Å²	24	71%	0.708	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.4	-173.4	26.1	-36	0	0	0	114.5	N151 V155	N151-P153 WeakPolarHBondContact O-CD 3.4Å; P153-V155 VanDerWaalsContact C-N 3.31Å
154	G	92.6	Very high	97.3	Very high	43 Å²	43	24 Å²	24	44%	0.443	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.4	172.7	0	0	0	0	0	114.4	M152 S180	M152-G154 PolarHBondContact O-N 2.98Å; G154-S180 WeakPolarHBondContact O-CB 3.46Å; G154-S180 PolarHBondContact O-OG 3.09Å
155	V	97.6	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.			trans	-120.4	101	-178	-178.5	0	0	0	0	109.8	I87 L91 M152 P153 R157 V178 H234	I87-V155 HydrophobicContact CD1-CG2 4.12Å; I87-V155 HydrophobicContact CG1-CG2 4.36Å; I87-V155 HydrophobicContact CG2-CG2 3.49Å; I87-V155 VanDerWaalsContact CG2-CG2 3.49Å; L91-V155 HydrophobicContact CD2-CG1 4.35Å; M152-V155 HydrophobicContact CB-CB 4.15Å; M152-V155 HydrophobicContact CB-CG2 4.04Å; M152-V155 HydrophobicContact CE-CG2 3.69Å; M152-V155 PolarHBondContact O-N 3.17Å; P153-V155 VanDerWaalsContact C-N 3.31Å; V155-R157 HydrophobicContact CG1-CG 4.17Å; V155-V178 HydrophobicContact CG1-CB 4Å; V155-V178 HydrophobicContact CG1-CG1 4.05Å; V155-H234 PolarHBondContact O-CE1 3.26Å; V155-H234 PolarHBondContact O-NE2 3.23Å; V155-H234 VanDerWaalsContact O-NE2 3.16Å
156	E	97.9	Very high	97	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.1	170.9	-60.6	-64.4	168.9	0	0	109.8	V178 H179 Y231	E156-V178 CarbonylContact O-C 3.47Å; E156-V178 VanDerWaalsContact O-CA 3.3Å; E156-V178 WeakPolarHBondContact O-CA 3.43Å; E156-H179 HydrophobicContact CB-CB 4.37Å; E156-H179 PolarHBondContact N-O 3.09Å; E156-H179 PolarHBondContact O-N 2.9Å; E156-Y231 HydrophobicContact CB-CD1 3.76Å; E156-Y231 HydrophobicContact CB-CD2 4.03Å; E156-Y231 HydrophobicContact CB-CE1 3.53Å; E156-Y231 HydrophobicContact CB-CE2 3.81Å; E156-Y231 HydrophobicContact CB-CG 4.02Å; E156-Y231 HydrophobicContact CG-CD2 4Å; E156-Y231 HydrophobicContact CG-CE1 4.33Å; E156-Y231 HydrophobicContact CG-CE2 3.68Å; E156-Y231 HydrophobicContact CG-CG 4.45Å; E156-Y231 WeakPolarHBondContact OE2-CD2 3.36Å
157	R	98.6	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.6	-169.7	-56.8	155.6	-59.4	150.8	9.3	109.8	I146 T149 N150 V155 L176 G177 V178 Y231 V232 S233	I146-R157 PolarHBondContact O-NH1 2.93Å; T149-R157 WeakPolarHBondContact OG1-CD 3.47Å; N150-R157 PolarHBondContact OD1-NH1 3.12Å; N150-R157 PolarHBondContact OD1-NH2 3.43Å; V155-R157 HydrophobicContact CG1-CG 4.17Å; R157-L176 HydrophobicContact CB-CD1 4.04Å; R157-L176 HydrophobicContact CB-CD2 4.15Å; R157-L176 HydrophobicContact CB-CG 4.22Å; R157-L176 HydrophobicContact CG-CD2 4.26Å; R157-G177 WeakPolarHBondContact CA-O 3.44Å; R157-V178 HydrophobicContact CG-CG1 4.38Å; R157-Y231 CarbonylContact O-C 3.6Å; R157-Y231 VanDerWaalsContact O-CA 3.28Å; R157-Y231 WeakPolarHBondContact O-CA 3.15Å; R157-V232 PolarHBondContact NH2-O 3.08Å; R157-V232 PolarHBondContact O-N 2.79Å; R157-S233 PolarHBondContact NH2-O 3.32Å
158	F	98.7	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.2	-178.7	56.9	-82.3	0	0	0	110.5	L160 G177 H179 F184 L205 I228 Y231 M270	F158-L160 HydrophobicContact CE2-CB 4.4Å; F158-L160 PolarHBondContact O-N 2.89Å; F158-G177 WeakPolarHBondContact CD1-O 3.25Å; F158-G177 PolarHBondContact N-O 3.43Å; F158-G177 WeakPolarHBondContact O-CA 3.47Å; F158-G177 PolarHBondContact O-N 2.7Å; F158-H179 HydrophobicContact CE1-CB 4.3Å; F158-F184 HydrophobicContact CE1-CD1 4.13Å; F158-F184 HydrophobicContact CE1-CE1 4.15Å; F158-F184 AromaticContact CZ-CD1 3.95Å; F158-F184 HydrophobicContact CZ-CD1 3.95Å; F158-F184 HydrophobicContact CZ-CE1 4.1Å; F158-L205 HydrophobicContact CE2-CD1 3.94Å; F158-L205 HydrophobicContact CZ-CD1 3.88Å; F158-I228 HydrophobicContact CD2-CG2 3.74Å; F158-I228 HydrophobicContact CE2-CG2 4.03Å; F158-Y231 HydrophobicContact CB-CD1 4.18Å; F158-Y231 HydrophobicContact CD1-CD1 4.09Å; F158-Y231 AromaticContact CD1-CE1 3.85Å; F158-Y231 HydrophobicContact CD1-CE1 3.85Å; F158-M270 HydrophobicContact CB-SD 4.08Å; F158-M270 HydrophobicContact CD1-CE 4.43Å; F158-M270 HydrophobicContact CD1-SD 4.12Å; F158-M270 HydrophobicContact CD2-SD 4.38Å; F158-M270 HydrophobicContact CE1-CE 4.47Å; F158-M270 HydrophobicContact CG-SD 3.94Å
159	P	98.7	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133	175.8	28.6	-31.7	0	0	0	110.3	I174 G229 I242 W244	P159-I174 HydrophobicContact CB-CD1 3.98Å; P159-G229 PolarHBondContact O-N 3.13Å; P159-I242 HydrophobicContact CG-CG2 3.91Å; P159-W244 HydrophobicContact CB-CE3 3.69Å; P159-W244 HydrophobicContact CB-CZ3 3.99Å; P159-W244 HydrophobicContact CG-CE3 3.96Å
160	L	98.8	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	107.2	176.2	-179.8	62.9	0	0	0	108.6	F158 F162 I174 V175 L208 F212 I226 I228	F158-L160 HydrophobicContact CE2-CB 4.4Å; F158-L160 PolarHBondContact O-N 2.89Å; L160-F162 HydrophobicContact CD1-CZ 4.37Å; L160-F162 HydrophobicContact CD2-CE1 4.34Å; L160-F162 HydrophobicContact CD2-CE2 4.25Å; L160-F162 HydrophobicContact CD2-CZ 3.57Å; L160-F162 HydrophobicContact CG-CE1 4.19Å; L160-F162 HydrophobicContact CG-CE2 3.99Å; L160-F162 HydrophobicContact CG-CZ 3.58Å; L160-I174 WeakPolarHBondContact O-CA 3.38Å; L160-V175 HydrophobicContact CB-CG2 3.95Å; L160-V175 HydrophobicContact CD2-CG2 4.19Å; L160-V175 HydrophobicContact CG-CG2 4.34Å; L160-V175 PolarHBondContact N-O 2.81Å; L160-V175 PolarHBondContact O-N 3.44Å; L160-L208 HydrophobicContact CD2-CD2 4.33Å; L160-F212 HydrophobicContact CD2-CE2 4.49Å; L160-I226 HydrophobicContact CD1-CG2 3.71Å; L160-I228 HydrophobicContact CD1-CD1 4.44Å; L160-I228 HydrophobicContact CD1-CG1 3.92Å; L160-I228 HydrophobicContact CD1-CG2 4.31Å
161	S	98.8	Very high	95.6	Very high	18 Å²	18	38.3 Å²	38.3	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.1	-176.4	-46.9	0	0	0	0	112	H173 I174 I226 K227	S161-H173 CarbonylContact C-O 3.58Å; S161-H173 WeakPolarHBondContact CA-O 3.43Å; S161-I174 WeakPolarHBondContact OG-CD1 3.19Å; S161-I174 WeakPolarHBondContact OG-CG1 3.41Å; S161-I226 CarbonylContact O-C 3.53Å; S161-I226 WeakPolarHBondContact O-CA 3.26Å; S161-K227 PolarHBondContact N-O 3.12Å; S161-K227 PolarHBondContact O-N 3.27Å
162	F	98.5	Very high	95.8	Very high	3 Å²	3	38 Å²	38	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.2	-178.7	-55.2	-79.7	0	0	0	109.7	L160 Y172 H173 V175 F212 Y216 L223 I226	L160-F162 HydrophobicContact CD1-CZ 4.37Å; L160-F162 HydrophobicContact CD2-CE1 4.34Å; L160-F162 HydrophobicContact CD2-CE2 4.25Å; L160-F162 HydrophobicContact CD2-CZ 3.57Å; L160-F162 HydrophobicContact CG-CE1 4.19Å; L160-F162 HydrophobicContact CG-CE2 3.99Å; L160-F162 HydrophobicContact CG-CZ 3.58Å; F162-Y172 WeakPolarHBondContact O-CA 3.11Å; F162-H173 AromaticContact CD2-ND1 3.88Å; F162-H173 PolarHBondContact N-O 2.89Å; F162-H173 PolarHBondContact O-N 3.39Å; F162-V175 HydrophobicContact CE2-CG2 3.99Å; F162-F212 HydrophobicContact CE1-CB 3.84Å; F162-F212 HydrophobicContact CE1-CG 4.18Å; F162-F212 HydrophobicContact CE2-CB 4.4Å; F162-F212 AromaticContact CE2-CD1 3.93Å; F162-F212 HydrophobicContact CE2-CD1 3.93Å; F162-F212 HydrophobicContact CE2-CD2 4.31Å; F162-F212 HydrophobicContact CE2-CE1 4.26Å; F162-F212 AromaticContact CE2-CG 3.97Å; F162-F212 HydrophobicContact CE2-CG 3.97Å; F162-F212 HydrophobicContact CZ-CB 3.67Å; F162-F212 AromaticContact CZ-CD1 3.95Å; F162-F212 HydrophobicContact CZ-CD1 3.95Å; F162-F212 AromaticContact CZ-CD2 3.66Å; F162-F212 HydrophobicContact CZ-CD2 3.66Å; F162-F212 HydrophobicContact CZ-CE2 4.26Å; F162-F212 AromaticContact CZ-CG 3.48Å; F162-F212 HydrophobicContact CZ-CG 3.48Å; F162-F212 VanDerWaalsContact CZ-CG 3.48Å; F162-Y216 HydrophobicContact CB-CE2 3.82Å; F162-Y216 WeakPolarHBondContact CB-OH 3.3Å; F162-Y216 HydrophobicContact CD1-CE2 4.09Å; F162-Y216 HydrophobicContact CD2-CE2 4.15Å; F162-Y216 AromaticContact CG-CE2 3.76Å; F162-Y216 HydrophobicContact CG-CE2 3.76Å; F162-L223 HydrophobicContact CB-CD1 3.77Å; F162-L223 HydrophobicContact CD1-CD1 3.85Å; F162-L223 HydrophobicContact CD1-CD2 4.17Å; F162-L223 HydrophobicContact CG-CD1 4.25Å; F162-I226 HydrophobicContact CD1-CG1 4.18Å; F162-I226 HydrophobicContact CE1-CG1 4.47Å
163	K	97.9	Very high	95.9	Very high	39 Å²	39	38 Å²	38	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.8	162.7	-177.9	177.2	-179.9	163.1	0	107.2	H170 F171 Y172 R224 K225	K163-H170 WeakPolarHBondContact CE-CD2 3.35Å; K163-F171 WeakPolarHBondContact CA-O 3.06Å; K163-Y172 HydrophobicContact CB-CD1 4.27Å; K163-Y172 HydrophobicContact CB-CE1 4.17Å; K163-Y172 HydrophobicContact CD-CE1 3.76Å; K163-Y172 WeakPolarHBondContact CE-OH 3.41Å; K163-Y172 HydrophobicContact CG-CD1 4.23Å; K163-Y172 HydrophobicContact CG-CE1 3.77Å; K163-Y172 PolarHBondContact NZ-OH 3.44Å; K163-R224 WeakPolarHBondContact O-CA 3.36Å; K163-R224 WeakPolarHBondContact O-CB 3.3Å; K163-R224 PolarHBondContact O-N 3.32Å; K163-K225 HydrophobicContact CB-CB 3.98Å; K163-K225 HydrophobicContact CB-CG 4.46Å; K163-K225 HydrophobicContact CD-CD 4.3Å; K163-K225 HydrophobicContact CD-CG 4.29Å; K163-K225 PolarHBondContact N-O 2.77Å; K163-K225 PolarHBondContact O-N 3.16Å; K163-K225 VanDerWaalsContact O-N 3.09Å
164	S	97.1	Very high	96.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	166.4	176.2	67.3	0	0	0	0	111.2	H170 F171 H221 T222	S164-H170 CarbonylContact O-C 3.58Å; S164-H170 VanDerWaalsContact O-CA 3.32Å; S164-H170 WeakPolarHBondContact O-CA 3.27Å; S164-F171 PolarHBondContact N-O 2.8Å; S164-F171 PolarHBondContact O-N 3.16Å; S164-H221 PolarHBondContact OG-ND1 2.87Å; S164-T222 CarbonylContact C-O 3.54Å; S164-T222 VanDerWaalsContact CA-O 3.25Å; S164-T222 WeakPolarHBondContact CA-O 3.34Å
165	H	96.3	Very high	96.6	Very high	47 Å²	47	31.2 Å²	31.2	22%	0.218	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.9	178.2	175.3	-90	0	0	0	110.1	G168 N169 T222 R224	H165-G168 WeakPolarHBondContact NE2-CA 2.85Å; H165-N169 CarbonylContact C-O 3.59Å; H165-N169 VanDerWaalsContact CA-O 3.3Å; H165-N169 WeakPolarHBondContact CA-O 3.4Å; H165-N169 PolarHBondContact CD2-O 3.01Å; H165-T222 PolarHBondContact N-O 2.75Å; H165-T222 PolarHBondContact O-N 3.35Å; H165-R224 HydrophobicContact CB-CG 3.78Å
166	F	94.9	Very high	96.6	Very high	42 Å²	42	31.2 Å²	31.2	18%	0.184	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	135.6	175.6	170.8	-109.8	0	0	0	109.9	G168 N169 F171 W220 H221	F166-G168 VanDerWaalsContact C-N 3.27Å; F166-G168 PolarHBondContact O-N 3.36Å; F166-G168 VanDerWaalsContact O-N 3.14Å; F166-N169 PolarHBondContact N-O 3.41Å; F166-N169 PolarHBondContact O-N 3.32Å; F166-F171 HydrophobicContact CB-CD2 4.24Å; F166-F171 HydrophobicContact CB-CE2 3.85Å; F166-F171 HydrophobicContact CD1-CE2 4.28Å; F166-W220 HydrophobicContact CD2-CB 4Å; F166-W220 WeakPolarHBondContact CD2-O 3.31Å; F166-W220 HydrophobicContact CE2-CB 3.82Å; F166-H221 AromaticContact CG-NE2 3.87Å
167	S	93.4	Very high	96.7	Very high	81 Å²	81	28.4 Å²	28.4	57%	0.566	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	45.7	175.9	-169.4	0	0	0	0	114.3	N169	S167-N169 VanDerWaalsContact C-N 3.26Å; S167-N169 PolarHBondContact O-N 3.01Å; S167-N169 PolarHBondContact O-ND2 2.98Å; S167-N169 VanDerWaalsContact O-ND2 3.08Å
168	G	90.8	Very high	96.7	Very high	60 Å²	60	28.5 Å²	28.5	62%	0.619	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	0.8	178.5	0	0	0	0	0	115.5	H165 F166	H165-G168 WeakPolarHBondContact NE2-CA 2.85Å; F166-G168 VanDerWaalsContact C-N 3.27Å; F166-G168 PolarHBondContact O-N 3.36Å; F166-G168 VanDerWaalsContact O-N 3.14Å
169	N	91.1	Very high	96.7	Very high	53 Å²	53	29.4 Å²	29.4	28%	0.283	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.9	-177.7	-68.1	-81.6	0	0	0	111.5	H165 F166 S167 F171	H165-N169 CarbonylContact C-O 3.59Å; H165-N169 VanDerWaalsContact CA-O 3.3Å; H165-N169 WeakPolarHBondContact CA-O 3.4Å; H165-N169 PolarHBondContact CD2-O 3.01Å; F166-N169 PolarHBondContact N-O 3.41Å; F166-N169 PolarHBondContact O-N 3.32Å; S167-N169 VanDerWaalsContact C-N 3.26Å; S167-N169 PolarHBondContact O-N 3.01Å; S167-N169 PolarHBondContact O-ND2 2.98Å; S167-N169 VanDerWaalsContact O-ND2 3.08Å; N169-F171 HydrophobicContact CB-CE2 3.67Å; N169-F171 HydrophobicContact CB-CZ 3.85Å
170	H	92.6	Very high	96.6	Very high	84 Å²	84	29.9 Å²	29.9	39%	0.389	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.9	170.3	-69.6	99	0	0	0	110.8	K163 S164 Y172	K163-H170 WeakPolarHBondContact CE-CD2 3.35Å; S164-H170 CarbonylContact O-C 3.58Å; S164-H170 VanDerWaalsContact O-CA 3.32Å; S164-H170 WeakPolarHBondContact O-CA 3.27Å; H170-Y172 HydrophobicContact CB-CE2 4.42Å
171	F	94.8	Very high	96.4	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.3	178.4	-60.8	-91.9	0	0	0	110	D24 K163 S164 F166 N169 H221	D24-F171 VanDerWaalsContact OD1-CD1 3.29Å; D24-F171 WeakPolarHBondContact OD1-CD1 3.28Å; D24-F171 WeakPolarHBondContact OD1-CE1 3.4Å; K163-F171 WeakPolarHBondContact CA-O 3.06Å; S164-F171 PolarHBondContact N-O 2.8Å; S164-F171 PolarHBondContact O-N 3.16Å; F166-F171 HydrophobicContact CB-CD2 4.24Å; F166-F171 HydrophobicContact CB-CE2 3.85Å; F166-F171 HydrophobicContact CD1-CE2 4.28Å; N169-F171 HydrophobicContact CB-CE2 3.67Å; N169-F171 HydrophobicContact CB-CZ 3.85Å; F171-H221 AromaticContact CD2-CE1 3.47Å; F171-H221 VanDerWaalsContact CD2-CE1 3.47Å; F171-H221 WeakPolarHBondContact CD2-CE1 3.46Å; F171-H221 AromaticContact CD2-ND1 3.95Å; F171-H221 AromaticContact CE2-CE1 3.94Å; F171-H221 AromaticContact CG-CE1 3.78Å
172	Y	95.8	Very high	96.2	Very high	141 Å²	141	34.6 Å²	34.6	55%	0.553	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	-178.1	-60.7	-87	0	0	0	109.7	F162 K163 H170	F162-Y172 WeakPolarHBondContact O-CA 3.11Å; K163-Y172 HydrophobicContact CB-CD1 4.27Å; K163-Y172 HydrophobicContact CB-CE1 4.17Å; K163-Y172 HydrophobicContact CD-CE1 3.76Å; K163-Y172 WeakPolarHBondContact CE-OH 3.41Å; K163-Y172 HydrophobicContact CG-CD1 4.23Å; K163-Y172 HydrophobicContact CG-CE1 3.77Å; K163-Y172 PolarHBondContact NZ-OH 3.44Å; H170-Y172 HydrophobicContact CB-CE2 4.42Å
173	H	98.3	Very high	96.2	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.9	-177.4	177.5	-111.8	0	0	0	109.8	S161 F162 V175 L195 Y216	S161-H173 CarbonylContact C-O 3.58Å; S161-H173 WeakPolarHBondContact CA-O 3.43Å; F162-H173 AromaticContact CD2-ND1 3.88Å; F162-H173 PolarHBondContact N-O 2.89Å; F162-H173 PolarHBondContact O-N 3.39Å; H173-V175 VanDerWaalsContact CE1-CG1 3.41Å; H173-V175 WeakPolarHBondContact CE1-CG1 3.35Å; H173-L195 PolarHBondContact CE1-O 2.89Å; H173-L195 PolarHBondContact NE2-O 3.21Å; H173-Y216 WeakPolarHBondContact CB-OH 3.08Å; H173-Y216 VanDerWaalsContact CG-OH 3.28Å; H173-Y216 PolarHBondContact ND1-OH 2.99Å
174	I	98.7	Very high	96.2	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.3	-176.7	-169.7	179	0	0	0	110	C138 L139 V142 P159 L160 S161 W244	C138-I174 HydrophobicContact CB-CG2 4.1Å; C138-I174 WeakPolarHBondContact CB-O 3.48Å; L139-I174 HydrophobicContact CB-CG2 4.21Å; L139-I174 HydrophobicContact CD1-CD1 4.29Å; L139-I174 HydrophobicContact CD1-CG2 4.28Å; V142-I174 HydrophobicContact CG1-CD1 4.48Å; V142-I174 HydrophobicContact CG2-CB 4.49Å; V142-I174 HydrophobicContact CG2-CD1 4.32Å; V142-I174 HydrophobicContact CG2-CG1 4.03Å; V142-I174 HydrophobicContact CG2-CG2 4.03Å; P159-I174 HydrophobicContact CB-CD1 3.98Å; L160-I174 WeakPolarHBondContact O-CA 3.38Å; S161-I174 WeakPolarHBondContact OG-CD1 3.19Å; S161-I174 WeakPolarHBondContact OG-CG1 3.41Å; I174-W244 HydrophobicContact CD1-CE3 3.85Å; I174-W244 HydrophobicContact CD1-CZ3 3.78Å
175	V	98.9	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.3	170.1	-57.6	0	0	0	0	109.5	L160 F162 H173 A186 F212	L160-V175 HydrophobicContact CB-CG2 3.95Å; L160-V175 HydrophobicContact CD2-CG2 4.19Å; L160-V175 HydrophobicContact CG-CG2 4.34Å; L160-V175 PolarHBondContact N-O 2.81Å; L160-V175 PolarHBondContact O-N 3.44Å; F162-V175 HydrophobicContact CE2-CG2 3.99Å; H173-V175 VanDerWaalsContact CE1-CG1 3.41Å; H173-V175 WeakPolarHBondContact CE1-CG1 3.35Å; V175-A186 HydrophobicContact CB-CB 4.43Å; V175-A186 HydrophobicContact CG2-CB 4.09Å; V175-F212 HydrophobicContact CB-CZ 4.37Å; V175-F212 HydrophobicContact CG1-CE1 3.94Å; V175-F212 HydrophobicContact CG1-CZ 3.99Å; V175-F212 HydrophobicContact CG2-CE1 4.38Å; V175-F212 HydrophobicContact CG2-CE2 4.18Å; V175-F212 HydrophobicContact CG2-CZ 3.79Å
176	L	98.9	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.5	169.4	-172.6	70.7	0	0	0	108	V142 A145 I146 R157 A186 L187	V142-L176 HydrophobicContact CG1-CB 4.41Å; V142-L176 HydrophobicContact CG1-CD1 4.14Å; V142-L176 HydrophobicContact CG2-CB 4.41Å; A145-L176 HydrophobicContact CB-CB 4.3Å; A145-L176 HydrophobicContact CB-CD2 3.57Å; I146-L176 HydrophobicContact CD1-CD1 3.99Å; I146-L176 HydrophobicContact CG1-CD1 3.6Å; I146-L176 HydrophobicContact CG1-CD2 3.84Å; I146-L176 HydrophobicContact CG1-CG 4.38Å; R157-L176 HydrophobicContact CB-CD1 4.04Å; R157-L176 HydrophobicContact CB-CD2 4.15Å; R157-L176 HydrophobicContact CB-CG 4.22Å; R157-L176 HydrophobicContact CG-CD2 4.26Å; L176-A186 CarbonylContact O-C 3.54Å; L176-A186 VanDerWaalsContact O-CA 3.28Å; L176-A186 WeakPolarHBondContact O-CA 3.47Å; L176-L187 HydrophobicContact CB-CB 4.44Å; L176-L187 PolarHBondContact N-O 2.85Å; L176-L187 PolarHBondContact O-N 3Å
177	G	98.8	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.9	168	0	0	0	0	0	109.8	R157 F158	R157-G177 WeakPolarHBondContact CA-O 3.44Å; F158-G177 WeakPolarHBondContact CD1-O 3.25Å; F158-G177 PolarHBondContact N-O 3.43Å; F158-G177 WeakPolarHBondContact O-CA 3.47Å; F158-G177 PolarHBondContact O-N 2.7Å
178	V	98.6	Very high	96.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.2	176.6	-65.1	0	0	0	0	110.2	L91 V155 E156 R157 F184 G185 L187 L200	L91-V178 HydrophobicContact CD1-CG2 4.19Å; V155-V178 HydrophobicContact CG1-CB 4Å; V155-V178 HydrophobicContact CG1-CG1 4.05Å; E156-V178 CarbonylContact O-C 3.47Å; E156-V178 VanDerWaalsContact O-CA 3.3Å; E156-V178 WeakPolarHBondContact O-CA 3.43Å; R157-V178 HydrophobicContact CG-CG1 4.38Å; V178-F184 CarbonylContact O-C 3.49Å; V178-F184 VanDerWaalsContact O-CA 3.29Å; V178-F184 WeakPolarHBondContact O-CA 3.16Å; V178-G185 VanDerWaalsContact CG2-C 3.41Å; V178-G185 WeakPolarHBondContact CG2-O 3.48Å; V178-G185 PolarHBondContact N-O 2.85Å; V178-G185 PolarHBondContact O-N 2.78Å; V178-L187 HydrophobicContact CG1-CD1 4.38Å; V178-L187 HydrophobicContact CG1-CG 4.5Å; V178-L200 HydrophobicContact CG2-CD1 3.97Å
179	H	98.1	Very high	97.2	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.083	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.4	176.2	174.8	-110.2	0	0	0	110.2	E156 F158 R183 F184 Y231 R271	E156-H179 HydrophobicContact CB-CB 4.37Å; E156-H179 PolarHBondContact N-O 3.09Å; E156-H179 PolarHBondContact O-N 2.9Å; F158-H179 HydrophobicContact CE1-CB 4.3Å; H179-R183 CarbonylContact C-O 3.48Å; H179-R183 VanDerWaalsContact CA-O 3.3Å; H179-R183 WeakPolarHBondContact CA-O 3.41Å; H179-R183 PolarHBondContact CD2-O 3.3Å; H179-R183 VanDerWaalsContact CD2-O 3.31Å; H179-F184 HydrophobicContact CB-CD1 3.94Å; H179-F184 HydrophobicContact CB-CE1 3.83Å; H179-F184 HydrophobicContact CB-CZ 4.45Å; H179-F184 AromaticContact CD2-CD2 3.87Å; H179-F184 AromaticContact CD2-CE1 3.71Å; H179-F184 AromaticContact CD2-CE2 3.54Å; H179-F184 AromaticContact CD2-CZ 3.45Å; H179-F184 VanDerWaalsContact CD2-CZ 3.45Å; H179-F184 WeakPolarHBondContact CD2-CZ 3.41Å; H179-F184 AromaticContact CG-CE1 3.91Å; H179-Y231 PolarHBondContact ND1-OH 3.07Å; H179-Y231 VanDerWaalsContact ND1-OH 3.17Å; H179-R271 PolarHBondContact NE2-NH2 2.8Å; H179-R271 VanDerWaalsContact NE2-NH2 3.14Å
180	S	97.3	Very high	97.6	Very high	11 Å²	11	24.5 Å²	24.5	8%	0.077	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	138.1	-178.6	-177	0	0	0	0	110.3	I87 G154 G182 R183	I87-S180 WeakPolarHBondContact CD1-OG 3.3Å; G154-S180 WeakPolarHBondContact O-CB 3.46Å; G154-S180 PolarHBondContact O-OG 3.09Å; S180-G182 PolarHBondContact O-N 3.07Å; S180-G182 VanDerWaalsContact O-N 3.15Å; S180-R183 PolarHBondContact N-O 2.9Å; S180-R183 PolarHBondContact O-N 3.27Å
181	G	94.8	Very high	97.8	Very high	79 Å²	79	23.1 Å²	23.1	81%	0.814	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	29.1	179.2	0	0	0	0	0	114.6	R183	G181-R183 PolarHBondContact O-N 2.89Å
182	G	95.1	Very high	97.9	Very high	38 Å²	38	25.8 Å²	25.8	39%	0.392	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	13.1	-176.2	0	0	0	0	0	114.4	S180	S180-G182 PolarHBondContact O-N 3.07Å; S180-G182 VanDerWaalsContact O-N 3.15Å
183	R	98.3	Very high	97.9	Very high	97 Å²	97	25 Å²	25	37%	0.366	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149	177	-60.3	-66.8	176.4	159.4	-2.4	110.5	H179 S180 G181 L200 E201 F202	H179-R183 CarbonylContact C-O 3.48Å; H179-R183 VanDerWaalsContact CA-O 3.3Å; H179-R183 WeakPolarHBondContact CA-O 3.41Å; H179-R183 PolarHBondContact CD2-O 3.3Å; H179-R183 VanDerWaalsContact CD2-O 3.31Å; S180-R183 PolarHBondContact N-O 2.9Å; S180-R183 PolarHBondContact O-N 3.27Å; G181-R183 PolarHBondContact O-N 2.89Å; R183-L200 HydrophobicContact CB-CD1 4.4Å; R183-L200 HydrophobicContact CB-CG 3.93Å; R183-L200 WeakPolarHBondContact CB-O 3.45Å; R183-E201 WeakPolarHBondContact CD-O 3.42Å; R183-E201 PolarHBondContact NH1-O 3.34Å; R183-F202 CarbonylContact C-O 3.56Å; R183-F202 VanDerWaalsContact CA-O 3.25Å; R183-F202 WeakPolarHBondContact CA-O 3.49Å
184	F	98.8	Very high	97.9	Very high	3 Å²	3	27 Å²	27	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	153.1	174.5	-69.4	-92	0	0	0	110.6	F158 V178 H179 L200 E201 F202 L205 L208 T267	F158-F184 HydrophobicContact CE1-CD1 4.13Å; F158-F184 HydrophobicContact CE1-CE1 4.15Å; F158-F184 AromaticContact CZ-CD1 3.95Å; F158-F184 HydrophobicContact CZ-CD1 3.95Å; F158-F184 HydrophobicContact CZ-CE1 4.1Å; V178-F184 CarbonylContact O-C 3.49Å; V178-F184 VanDerWaalsContact O-CA 3.29Å; V178-F184 WeakPolarHBondContact O-CA 3.16Å; H179-F184 HydrophobicContact CB-CD1 3.94Å; H179-F184 HydrophobicContact CB-CE1 3.83Å; H179-F184 HydrophobicContact CB-CZ 4.45Å; H179-F184 AromaticContact CD2-CD2 3.87Å; H179-F184 AromaticContact CD2-CE1 3.71Å; H179-F184 AromaticContact CD2-CE2 3.54Å; H179-F184 AromaticContact CD2-CZ 3.45Å; H179-F184 VanDerWaalsContact CD2-CZ 3.45Å; H179-F184 WeakPolarHBondContact CD2-CZ 3.41Å; H179-F184 AromaticContact CG-CE1 3.91Å; F184-L200 CarbonylContact O-C 3.57Å; F184-L200 WeakPolarHBondContact O-CA 3.49Å; F184-E201 PolarHBondContact O-N 3.12Å; F184-F202 HydrophobicContact CB-CB 4.02Å; F184-F202 PolarHBondContact N-O 3.46Å; F184-F202 WeakPolarHBondContact O-CD2 3.3Å; F184-F202 PolarHBondContact O-N 3.28Å; F184-L205 HydrophobicContact CD1-CB 4.48Å; F184-L205 HydrophobicContact CD1-CD1 4.23Å; F184-L205 HydrophobicContact CE1-CB 4.16Å; F184-L205 HydrophobicContact CE1-CD1 4.33Å; F184-L205 HydrophobicContact CZ-CB 4.17Å; F184-L208 HydrophobicContact CB-CB 4.36Å; F184-L208 HydrophobicContact CB-CD2 4.15Å; F184-T267 HydrophobicContact CE2-CG2 4.48Å; F184-T267 HydrophobicContact CZ-CG2 3.77Å
185	G	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-170	172.7	0	0	0	0	0	109.8	V178 K198 L208	V178-G185 VanDerWaalsContact CG2-C 3.41Å; V178-G185 WeakPolarHBondContact CG2-O 3.48Å; V178-G185 PolarHBondContact N-O 2.85Å; V178-G185 PolarHBondContact O-N 2.78Å; G185-K198 WeakPolarHBondContact CA-O 3.42Å; G185-L208 WeakPolarHBondContact O-CD2 3.46Å
186	A	98.9	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148	176.3	0	0	0	0	0	112.6	V175 L176 F197 K198 F212	V175-A186 HydrophobicContact CB-CB 4.43Å; V175-A186 HydrophobicContact CG2-CB 4.09Å; L176-A186 CarbonylContact O-C 3.54Å; L176-A186 VanDerWaalsContact O-CA 3.28Å; L176-A186 WeakPolarHBondContact O-CA 3.47Å; A186-F197 WeakPolarHBondContact O-CA 2.91Å; A186-F197 VanDerWaalsContact O-CD2 3.24Å; A186-F197 WeakPolarHBondContact O-CD2 3.08Å; A186-K198 HydrophobicContact CB-CB 4.03Å; A186-K198 HydrophobicContact CB-CG 4.2Å; A186-K198 PolarHBondContact N-O 2.84Å; A186-K198 PolarHBondContact O-N 3.21Å; A186-F212 HydrophobicContact CB-CE2 4.02Å; A186-F212 HydrophobicContact CB-CZ 3.86Å
187	L	98.9	Very high	97.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.4	165.5	-65.3	171	0	0	0	108.7	L91 I94 Q95 A145 T149 L176 V178 F197	L91-L187 HydrophobicContact CB-CD2 4.41Å; L91-L187 HydrophobicContact CD2-CD1 3.88Å; L91-L187 HydrophobicContact CD2-CG 4.39Å; L91-L187 WeakPolarHBondContact O-CD2 3.46Å; I94-L187 HydrophobicContact CG2-CD1 3.9Å; I94-L187 HydrophobicContact CG2-CD2 4.29Å; Q95-L187 HydrophobicContact CB-CD2 3.9Å; A145-L187 HydrophobicContact CB-CB 3.95Å; A145-L187 HydrophobicContact CB-CD1 3.96Å; T149-L187 HydrophobicContact CG2-CD1 3.93Å; L176-L187 HydrophobicContact CB-CB 4.44Å; L176-L187 PolarHBondContact N-O 2.85Å; L176-L187 PolarHBondContact O-N 3Å; V178-L187 HydrophobicContact CG1-CD1 4.38Å; V178-L187 HydrophobicContact CG1-CG 4.5Å; L187-F197 HydrophobicContact CD2-CD2 4.03Å; L187-F197 HydrophobicContact CD2-CE2 4.1Å
188	G	98.5	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.			trans	173.2	-166.3	175.9	0	0	0	0	0	114.5	Q95	Q95-G188 PolarHBondContact NE2-O 2.92Å; Q95-G188 PolarHBondContact OE1-O 3.37Å
189	M	98.2	Very high	97.8	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.03	18%	0.178	C	C	.	.			trans	-145.8	125.5	179.9	-178.2	60.6	83.4	0	0	109.4	I98 Y103 I136 C138 A141	I98-M189 HydrophobicContact CG2-CB 4.32Å; I98-M189 HydrophobicContact CG2-CE 3.61Å; I98-M189 WeakPolarHBondContact O-CE 3.47Å; Y103-M189 HydrophobicContact CD2-CG 3.65Å; Y103-M189 HydrophobicContact CD2-SD 4.15Å; Y103-M189 HydrophobicContact CE2-CG 4.39Å; Y103-M189 HydrophobicContact CG-CG 4.4Å; I136-M189 HydrophobicContact CD1-CE 4.47Å; I136-M189 HydrophobicContact CG1-CE 4.16Å; C138-M189 VanDerWaalsContact CA-O 3.28Å; C138-M189 WeakPolarHBondContact CA-O 2.82Å; C138-M189 VanDerWaalsContact CB-O 3.26Å; C138-M189 WeakPolarHBondContact CB-O 3.16Å; A141-M189 HydrophobicContact CB-CB 3.34Å; A141-M189 HydrophobicContact CB-CG 4.48Å
190	S	98.2	Very high	97.8	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.042	18%	0.181	C	C	.	.			trans	-141.4	162.2	177.8	166.9	0	0	0	0	108.9	Y103 R192 L195 V332	Y103-S190 WeakPolarHBondContact CD2-O 3.47Å; S190-R192 WeakPolarHBondContact CB-O 3.49Å; S190-R192 PolarHBondContact O-N 3.16Å; S190-R192 PolarHBondContact OG-N 2.95Å; S190-R192 PolarHBondContact OG-O 3.39Å; S190-L195 WeakPolarHBondContact CB-O 3.3Å; S190-V332 PolarHBondContact OG-OXT 3.42Å
191	R	96.5	Very high	97.9	Very high	56 Å²	56	37.4 Å²	37.4	21%	0.211	21%	0.207	C	C	.	.	S	Bend	trans	-68.5	-11.9	168.8	-56.9	172.6	-91.9	-157	1.5	111.3	D24 Y103 V332	D24-R191 IonicContact OD1-NH2 3.88Å; D24-R191 IonicContact OD2-CZ 2.81Å; D24-R191 IonicContact OD2-NH1 2.79Å; D24-R191 PolarHBondContact OD2-NH1 2.81Å; D24-R191 IonicContact OD2-NH2 3.23Å; Y103-R191 HydrophobicContact CD1-CG 3.76Å; Y103-R191 HydrophobicContact CD2-CG 4.08Å; Y103-R191 HydrophobicContact CE1-CG 3.38Å; Y103-R191 HydrophobicContact CE2-CG 3.75Å; Y103-R191 HydrophobicContact CG-CG 4.12Å; R191-V332 WeakPolarHBondContact CA-OXT 3.26Å; R191-V332 WeakPolarHBondContact CB-OXT 3.28Å; R191-V332 WeakPolarHBondContact CG-OXT 3.35Å; R191-V332 PolarHBondContact N-OXT 3.31Å; R191-V332 PolarHBondContact NE-O 3.09Å; R191-V332 PolarHBondContact NE-OXT 3.46Å; R191-V332 PolarHBondContact NH2-O 2.85Å
192	R	97.6	Very high	98	Very high	64 Å²	64	35.3 Å²	35.3	24%	0.242	18%	0.175	C	C	.	.	S	Bend	trans	-121.1	134.2	-178.8	-52.2	-61.4	171.6	178.9	-10	110.6	S190 D194 L195 Y219 R331 V332	S190-R192 WeakPolarHBondContact CB-O 3.49Å; S190-R192 PolarHBondContact O-N 3.16Å; S190-R192 PolarHBondContact OG-N 2.95Å; S190-R192 PolarHBondContact OG-O 3.39Å; R192-D194 VanDerWaalsContact C-N 3.33Å; R192-D194 PolarHBondContact O-N 3.49Å; R192-L195 HydrophobicContact CB-CB 4.15Å; R192-L195 HydrophobicContact CB-CD1 4.01Å; R192-L195 HydrophobicContact CB-CG 4.26Å; R192-L195 HydrophobicContact CG-CD1 4.13Å; R192-L195 PolarHBondContact O-N 3.43Å; R192-Y219 HydrophobicContact CB-CD2 4.46Å; R192-Y219 HydrophobicContact CB-CE2 3.69Å; R192-Y219 HydrophobicContact CG-CD2 4.03Å; R192-Y219 HydrophobicContact CG-CE1 4.27Å; R192-Y219 HydrophobicContact CG-CE2 3.66Å; R192-Y219 HydrophobicContact CG-CG 4.45Å; R192-R331 PolarHBondContact NE-O 3.26Å; R192-R331 VanDerWaalsContact NE-O 3.16Å; R192-R331 PolarHBondContact NH2-O 3.09Å; R192-V332 HydrophobicContact CG-CG2 4.48Å
193	D	95.8	Very high	98.2	Very high	124 Å²	124	42.2 Å²	42.2	66%	0.663	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-68.5	-32.6	-171.5	-71.4	-36.1	0	0	0	114	L195 M196	D193-L195 VanDerWaalsContact C-N 3.33Å; D193-M196 HydrophobicContact CB-CE 4.01Å; D193-M196 VanDerWaalsContact O-CG 3.27Å; D193-M196 WeakPolarHBondContact O-CG 3.34Å; D193-M196 WeakPolarHBondContact OD1-CE 3.48Å
194	D	97.8	Very high	98.2	Very high	54 Å²	54	39.9 Å²	39.9	29%	0.289	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-86.7	-0	179.4	61.3	-8.9	0	0	0	113.4	R192 K198 A215 Y219	R192-D194 VanDerWaalsContact C-N 3.33Å; R192-D194 PolarHBondContact O-N 3.49Å; D194-K198 WeakPolarHBondContact O-CE 3.27Å; D194-K198 PolarHBondContact O-NZ 2.88Å; D194-A215 HydrophobicContact CB-CB 4.09Å; D194-Y219 WeakPolarHBondContact OD1-CE2 3.49Å; D194-Y219 PolarHBondContact OD1-OH 2.61Å; D194-Y219 VanDerWaalsContact OD1-OH 3.05Å; D194-Y219 PolarHBondContact OD2-OH 2.74Å
195	L	98.7	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-110.5	25.3	173.9	-67.3	171.3	0	0	0	112.2	H173 S190 R192 D193 F212 A215 Y216 Y219 V332	H173-L195 PolarHBondContact CE1-O 2.89Å; H173-L195 PolarHBondContact NE2-O 3.21Å; S190-L195 WeakPolarHBondContact CB-O 3.3Å; R192-L195 HydrophobicContact CB-CB 4.15Å; R192-L195 HydrophobicContact CB-CD1 4.01Å; R192-L195 HydrophobicContact CB-CG 4.26Å; R192-L195 HydrophobicContact CG-CD1 4.13Å; R192-L195 PolarHBondContact O-N 3.43Å; D193-L195 VanDerWaalsContact C-N 3.33Å; L195-F212 HydrophobicContact CD2-CD1 3.94Å; L195-A215 HydrophobicContact CD2-CB 3.5Å; L195-A215 HydrophobicContact CG-CB 3.93Å; L195-Y216 HydrophobicContact CD1-CD1 4.03Å; L195-Y216 HydrophobicContact CD1-CE1 4.03Å; L195-Y216 HydrophobicContact CD2-CD1 4.22Å; L195-Y216 HydrophobicContact CD2-CD2 3.78Å; L195-Y216 HydrophobicContact CD2-CE1 4.23Å; L195-Y216 HydrophobicContact CD2-CE2 3.75Å; L195-Y216 HydrophobicContact CD2-CG 3.98Å; L195-Y219 HydrophobicContact CD1-CD2 3.79Å; L195-Y219 HydrophobicContact CD1-CE2 3.94Å; L195-Y219 HydrophobicContact CG-CE2 4.43Å; L195-V332 HydrophobicContact CB-CG1 4.3Å; L195-V332 HydrophobicContact CD1-CB 4.18Å; L195-V332 HydrophobicContact CD1-CG1 3.33Å; L195-V332 HydrophobicContact CD1-CG2 3.79Å; L195-V332 HydrophobicContact CG-CG1 4.38Å
196	M	98.1	Very high	98.1	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.02	19%	0.188	C	C	.	.	S	Bend	trans	-131.6	-94.9	173.2	46.7	150.9	167.7	0	0	112.3	R99 D193 F212	R99-M196 HydrophobicContact CG-CE 4.44Å; R99-M196 HydrophobicContact CG-SD 4.36Å; D193-M196 HydrophobicContact CB-CE 4.01Å; D193-M196 VanDerWaalsContact O-CG 3.27Å; D193-M196 WeakPolarHBondContact O-CG 3.34Å; D193-M196 WeakPolarHBondContact OD1-CE 3.48Å; M196-F212 WeakPolarHBondContact O-CZ 3.43Å
197	F	98.8	Very high	98	Very high	37 Å²	37	42.9 Å²	42.9	16%	0.162	20%	0.202	C	C	.	.			trans	-67.4	134.7	-177.4	-175.8	-112.4	0	0	0	111.8	E92 Q95 A186 L187 P199	E92-F197 HydrophobicContact CG-CE1 4.34Å; E92-F197 HydrophobicContact CG-CZ 3.78Å; Q95-F197 HydrophobicContact CB-CD2 3.65Å; Q95-F197 HydrophobicContact CB-CE2 4.02Å; Q95-F197 HydrophobicContact CB-CG 4.25Å; Q95-F197 HydrophobicContact CG-CB 3.63Å; Q95-F197 HydrophobicContact CG-CD2 3.54Å; Q95-F197 HydrophobicContact CG-CE2 4.35Å; Q95-F197 HydrophobicContact CG-CG 3.67Å; A186-F197 WeakPolarHBondContact O-CA 2.91Å; A186-F197 VanDerWaalsContact O-CD2 3.24Å; A186-F197 WeakPolarHBondContact O-CD2 3.08Å; L187-F197 HydrophobicContact CD2-CD2 4.03Å; L187-F197 HydrophobicContact CD2-CE2 4.1Å; F197-P199 HydrophobicContact CE1-CB 4.32Å
198	K	98.8	Very high	98	Very high	17 Å²	17	42.9 Å²	42.9	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.6	168.3	-62.4	-67.3	177.5	177.8	0	107.8	G185 A186 D194 F202 L208 E211 F212	G185-K198 WeakPolarHBondContact CA-O 3.42Å; A186-K198 HydrophobicContact CB-CB 4.03Å; A186-K198 HydrophobicContact CB-CG 4.2Å; A186-K198 PolarHBondContact N-O 2.84Å; A186-K198 PolarHBondContact O-N 3.21Å; D194-K198 WeakPolarHBondContact O-CE 3.27Å; D194-K198 PolarHBondContact O-NZ 2.88Å; K198-F202 HydrophobicContact CB-CE2 3.81Å; K198-L208 HydrophobicContact CB-CD1 3.6Å; K198-L208 HydrophobicContact CG-CD1 3.74Å; K198-E211 HydrophobicContact CD-CB 4.47Å; K198-E211 IonicContact NZ-OE2 3.03Å; K198-F212 HydrophobicContact CG-CD2 4.47Å; K198-F212 HydrophobicContact CG-CE1 4.5Å; K198-F212 HydrophobicContact CG-CE2 3.66Å; K198-F212 HydrophobicContact CG-CZ 3.66Å
199	P	98.4	Very high	98	Very high	40 Å²	40	42.9 Å²	42.9	26%	0.26	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	156.9	-178.6	28.6	-35.9	0	0	0	110.6	F197 E201 F202	F197-P199 HydrophobicContact CE1-CB 4.32Å; P199-E201 HydrophobicContact CB-CG 4.12Å; P199-E201 HydrophobicContact CG-CG 4.37Å; P199-E201 PolarHBondContact O-N 3.16Å; P199-F202 WeakPolarHBondContact O-CD2 3.41Å; P199-F202 WeakPolarHBondContact O-CE2 3.43Å
200	L	98.3	Very high	98	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	62.8	-175.4	-169.1	78.3	0	0	0	111.7	I87 P88 L91 V178 R183 F184	I87-L200 HydrophobicContact CG2-CD2 4.06Å; P88-L200 HydrophobicContact CG-CD2 4.41Å; L91-L200 HydrophobicContact CD1-CB 4.29Å; L91-L200 HydrophobicContact CD1-CD1 4.34Å; L91-L200 HydrophobicContact CD1-CD2 4.31Å; V178-L200 HydrophobicContact CG2-CD1 3.97Å; R183-L200 HydrophobicContact CB-CD1 4.4Å; R183-L200 HydrophobicContact CB-CG 3.93Å; R183-L200 WeakPolarHBondContact CB-O 3.45Å; F184-L200 CarbonylContact O-C 3.57Å; F184-L200 WeakPolarHBondContact O-CA 3.49Å
201	E	98.1	Very high	98	Very high	133 Å²	133	49.4 Å²	49.4	62%	0.621	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	-18.9	-169.1	-65.8	178.7	-175.8	0	0	113.7	R183 F184 P199	R183-E201 WeakPolarHBondContact CD-O 3.42Å; R183-E201 PolarHBondContact NH1-O 3.34Å; F184-E201 PolarHBondContact O-N 3.12Å; P199-E201 HydrophobicContact CB-CG 4.12Å; P199-E201 HydrophobicContact CG-CG 4.37Å; P199-E201 PolarHBondContact O-N 3.16Å
202	F	98.6	Very high	98.1	Very high	35 Å²	35	46.7 Å²	46.7	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.7	-175.1	-61.4	-81.4	0	0	0	111	R183 F184 K198 P199 D207 L208 E211	R183-F202 CarbonylContact C-O 3.56Å; R183-F202 VanDerWaalsContact CA-O 3.25Å; R183-F202 WeakPolarHBondContact CA-O 3.49Å; F184-F202 HydrophobicContact CB-CB 4.02Å; F184-F202 PolarHBondContact N-O 3.46Å; F184-F202 WeakPolarHBondContact O-CD2 3.3Å; F184-F202 PolarHBondContact O-N 3.28Å; K198-F202 HydrophobicContact CB-CE2 3.81Å; P199-F202 WeakPolarHBondContact O-CD2 3.41Å; P199-F202 WeakPolarHBondContact O-CE2 3.43Å; F202-D207 HydrophobicContact CB-CB 4.21Å; F202-D207 HydrophobicContact CD1-CB 3.86Å; F202-L208 HydrophobicContact CB-CB 4.21Å; F202-L208 HydrophobicContact CD2-CB 4.5Å; F202-L208 HydrophobicContact CD2-CD1 3.85Å; F202-L208 HydrophobicContact CE2-CD1 4.09Å; F202-L208 HydrophobicContact CG-CB 4.16Å; F202-L208 HydrophobicContact CG-CD1 4.32Å; F202-E211 HydrophobicContact CD1-CG 4.44Å; F202-E211 HydrophobicContact CE1-CB 4.14Å; F202-E211 HydrophobicContact CE1-CG 3.36Å; F202-E211 HydrophobicContact CZ-CB 4.28Å; F202-E211 HydrophobicContact CZ-CG 3.66Å
203	R	97.6	Very high	98.1	Very high	183 Å²	183	46.1 Å²	46.1	69%	0.691	22%	0.222	S	C	*	.	S	Bend	trans	-77.9	-32.4	-176.3	-67.4	177.2	-170.9	-164.2	-0.7	111.9	D207	R203-D207 PolarHBondContact N-OD2 3.11Å
204	T	98	Very high	98.2	Very high	49 Å²	49	41.7 Å²	41.7	30%	0.301	21%	0.206	S	C	.	.	S	Bend	trans	-129.7	158.2	-178.4	71.1	0	0	0	0	111	M206 D207 L208	T204-M206 PolarHBondContact O-N 3.15Å; T204-M206 PolarHBondContact OG1-N 3.32Å; T204-D207 PolarHBondContact N-OD2 3.15Å; T204-D207 PolarHBondContact O-N 3.09Å; T204-D207 PolarHBondContact OG1-N 3.29Å; T204-D207 VanDerWaalsContact OG1-N 3.09Å; T204-D207 PolarHBondContact OG1-OD1 2.81Å; T204-D207 PolarHBondContact OG1-OD2 3.31Å; T204-L208 PolarHBondContact O-N 3.04Å
205	L	97.9	Very high	98.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-31.1	171.6	-176.9	57.7	0	0	0	111.6	F158 F184 L208 V209 I228 L263	F158-L205 HydrophobicContact CE2-CD1 3.94Å; F158-L205 HydrophobicContact CZ-CD1 3.88Å; F184-L205 HydrophobicContact CD1-CB 4.48Å; F184-L205 HydrophobicContact CD1-CD1 4.23Å; F184-L205 HydrophobicContact CE1-CB 4.16Å; F184-L205 HydrophobicContact CE1-CD1 4.33Å; F184-L205 HydrophobicContact CZ-CB 4.17Å; L205-L208 HydrophobicContact CD1-CD2 4.36Å; L205-L208 PolarHBondContact O-N 3.31Å; L205-V209 HydrophobicContact CD1-CG2 4.43Å; L205-V209 HydrophobicContact CG-CG2 4.46Å; L205-V209 WeakPolarHBondContact O-CB 3.37Å; L205-V209 VanDerWaalsContact O-CG2 3.32Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 3.47Å; L205-I228 HydrophobicContact CD2-CD1 4.02Å; L205-L263 HydrophobicContact CD2-CB 4.41Å; L205-L263 HydrophobicContact CD2-CD2 3.94Å; L205-L263 HydrophobicContact CG-CD2 4.12Å
206	M	97.7	Very high	98.2	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-41.6	174.1	-177.4	60.4	175.9	0	0	112	T204 L208 V209 Q210 K256 L259 L263	T204-M206 PolarHBondContact O-N 3.15Å; T204-M206 PolarHBondContact OG1-N 3.32Å; M206-L208 VanDerWaalsContact C-N 3.35Å; M206-V209 PolarHBondContact O-N 2.9Å; M206-Q210 HydrophobicContact CE-CG 3.86Å; M206-Q210 HydrophobicContact CG-CG 4.44Å; M206-Q210 VanDerWaalsContact CG-NE2 3.34Å; M206-Q210 WeakPolarHBondContact O-CB 3.37Å; M206-Q210 WeakPolarHBondContact O-CG 3.5Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 HydrophobicContact SD-CG 4.23Å; M206-K256 HydrophobicContact CE-CG 3.88Å; M206-L259 HydrophobicContact CE-CD2 3.98Å; M206-L259 HydrophobicContact CE-CG 4.26Å; M206-L259 HydrophobicContact SD-CD2 4.24Å; M206-L259 HydrophobicContact SD-CG 4.16Å; M206-L263 HydrophobicContact CB-CD1 4.06Å; M206-L263 HydrophobicContact CG-CD1 4.43Å; M206-L263 HydrophobicContact SD-CD1 3.5Å; M206-L263 WeakPolarHBondContact SD-CD1 3.28Å
207	D	98.4	Very high	98.2	Very high	57 Å²	57	46.6 Å²	46.6	31%	0.305	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-43.5	178.3	-54	-38.8	0	0	0	110.8	F202 R203 T204 Q210 E211	F202-D207 HydrophobicContact CB-CB 4.21Å; F202-D207 HydrophobicContact CD1-CB 3.86Å; R203-D207 PolarHBondContact N-OD2 3.11Å; T204-D207 PolarHBondContact N-OD2 3.15Å; T204-D207 PolarHBondContact O-N 3.09Å; T204-D207 PolarHBondContact OG1-N 3.29Å; T204-D207 VanDerWaalsContact OG1-N 3.09Å; T204-D207 PolarHBondContact OG1-OD1 2.81Å; T204-D207 PolarHBondContact OG1-OD2 3.31Å; D207-Q210 PolarHBondContact O-N 2.99Å; D207-E211 PolarHBondContact O-N 3.38Å; D207-E211 VanDerWaalsContact O-N 3.15Å
208	L	98.7	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-46.1	175.9	179	64.7	0	0	0	111.7	L160 F184 G185 K198 F202 T204 L205 M206 E211 F212	L160-L208 HydrophobicContact CD2-CD2 4.33Å; F184-L208 HydrophobicContact CB-CB 4.36Å; F184-L208 HydrophobicContact CB-CD2 4.15Å; G185-L208 WeakPolarHBondContact O-CD2 3.46Å; K198-L208 HydrophobicContact CB-CD1 3.6Å; K198-L208 HydrophobicContact CG-CD1 3.74Å; F202-L208 HydrophobicContact CB-CB 4.21Å; F202-L208 HydrophobicContact CD2-CB 4.5Å; F202-L208 HydrophobicContact CD2-CD1 3.85Å; F202-L208 HydrophobicContact CE2-CD1 4.09Å; F202-L208 HydrophobicContact CG-CB 4.16Å; F202-L208 HydrophobicContact CG-CD1 4.32Å; T204-L208 PolarHBondContact O-N 3.04Å; L205-L208 HydrophobicContact CD1-CD2 4.36Å; L205-L208 PolarHBondContact O-N 3.31Å; M206-L208 VanDerWaalsContact C-N 3.35Å; L208-E211 WeakPolarHBondContact O-CB 3.48Å; L208-E211 PolarHBondContact O-N 3.34Å; L208-F212 HydrophobicContact CD1-CD2 4.25Å; L208-F212 HydrophobicContact CD1-CE2 3.8Å; L208-F212 HydrophobicContact CG-CD2 4.3Å; L208-F212 HydrophobicContact CG-CE2 4.12Å; L208-F212 WeakPolarHBondContact O-CD2 3.5Å; L208-F212 PolarHBondContact O-N 3.25Å
209	V	98.3	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.6	178.8	162.9	0	0	0	0	111.5	L205 M206 E211 F212 E213 I226 L263	L205-V209 HydrophobicContact CD1-CG2 4.43Å; L205-V209 HydrophobicContact CG-CG2 4.46Å; L205-V209 WeakPolarHBondContact O-CB 3.37Å; L205-V209 VanDerWaalsContact O-CG2 3.32Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 3.47Å; M206-V209 PolarHBondContact O-N 2.9Å; V209-E211 VanDerWaalsContact C-N 3.26Å; V209-E211 PolarHBondContact O-N 3.31Å; V209-F212 PolarHBondContact O-N 3.25Å; V209-E213 PolarHBondContact O-N 3.14Å; V209-I226 HydrophobicContact CG1-CD1 3.38Å; V209-I226 HydrophobicContact CG2-CD1 4.45Å; V209-L263 HydrophobicContact CB-CD1 4.27Å; V209-L263 HydrophobicContact CG1-CD1 4.36Å; V209-L263 HydrophobicContact CG2-CD1 4.21Å; V209-L263 HydrophobicContact CG2-CD2 4.34Å
210	Q	97.8	Very high	98.1	Very high	58 Å²	58	55 Å²	55	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-34.6	176.9	-77.3	178.9	28.4	0	0	112	M206 D207 E213 G214	M206-Q210 HydrophobicContact CE-CG 3.86Å; M206-Q210 HydrophobicContact CG-CG 4.44Å; M206-Q210 VanDerWaalsContact CG-NE2 3.34Å; M206-Q210 WeakPolarHBondContact O-CB 3.37Å; M206-Q210 WeakPolarHBondContact O-CG 3.5Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 HydrophobicContact SD-CG 4.23Å; D207-Q210 PolarHBondContact O-N 2.99Å; Q210-E213 PolarHBondContact O-N 2.88Å; Q210-G214 PolarHBondContact O-N 3.32Å
211	E	98.5	Very high	98	Very high	91 Å²	91	54 Å²	54	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-42.3	174.2	-93.1	-51.1	146.9	0	0	113.1	K198 F202 D207 L208 V209 A215	K198-E211 HydrophobicContact CD-CB 4.47Å; K198-E211 IonicContact NZ-OE2 3.03Å; F202-E211 HydrophobicContact CD1-CG 4.44Å; F202-E211 HydrophobicContact CE1-CB 4.14Å; F202-E211 HydrophobicContact CE1-CG 3.36Å; F202-E211 HydrophobicContact CZ-CB 4.28Å; F202-E211 HydrophobicContact CZ-CG 3.66Å; D207-E211 PolarHBondContact O-N 3.38Å; D207-E211 VanDerWaalsContact O-N 3.15Å; L208-E211 WeakPolarHBondContact O-CB 3.48Å; L208-E211 PolarHBondContact O-N 3.34Å; V209-E211 VanDerWaalsContact C-N 3.26Å; V209-E211 PolarHBondContact O-N 3.31Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 3.03Å
212	F	98.6	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-42.7	172.7	-79.8	-77.7	0	0	0	111.7	L160 F162 V175 A186 L195 M196 K198 L208 V209 G214 A215 Y216	L160-F212 HydrophobicContact CD2-CE2 4.49Å; F162-F212 HydrophobicContact CE1-CB 3.84Å; F162-F212 HydrophobicContact CE1-CG 4.18Å; F162-F212 HydrophobicContact CE2-CB 4.4Å; F162-F212 AromaticContact CE2-CD1 3.93Å; F162-F212 HydrophobicContact CE2-CD1 3.93Å; F162-F212 HydrophobicContact CE2-CD2 4.31Å; F162-F212 HydrophobicContact CE2-CE1 4.26Å; F162-F212 AromaticContact CE2-CG 3.97Å; F162-F212 HydrophobicContact CE2-CG 3.97Å; F162-F212 HydrophobicContact CZ-CB 3.67Å; F162-F212 AromaticContact CZ-CD1 3.95Å; F162-F212 HydrophobicContact CZ-CD1 3.95Å; F162-F212 AromaticContact CZ-CD2 3.66Å; F162-F212 HydrophobicContact CZ-CD2 3.66Å; F162-F212 HydrophobicContact CZ-CE2 4.26Å; F162-F212 AromaticContact CZ-CG 3.48Å; F162-F212 HydrophobicContact CZ-CG 3.48Å; F162-F212 VanDerWaalsContact CZ-CG 3.48Å; V175-F212 HydrophobicContact CB-CZ 4.37Å; V175-F212 HydrophobicContact CG1-CE1 3.94Å; V175-F212 HydrophobicContact CG1-CZ 3.99Å; V175-F212 HydrophobicContact CG2-CE1 4.38Å; V175-F212 HydrophobicContact CG2-CE2 4.18Å; V175-F212 HydrophobicContact CG2-CZ 3.79Å; A186-F212 HydrophobicContact CB-CE2 4.02Å; A186-F212 HydrophobicContact CB-CZ 3.86Å; L195-F212 HydrophobicContact CD2-CD1 3.94Å; M196-F212 WeakPolarHBondContact O-CZ 3.43Å; K198-F212 HydrophobicContact CG-CD2 4.47Å; K198-F212 HydrophobicContact CG-CE1 4.5Å; K198-F212 HydrophobicContact CG-CE2 3.66Å; K198-F212 HydrophobicContact CG-CZ 3.66Å; L208-F212 HydrophobicContact CD1-CD2 4.25Å; L208-F212 HydrophobicContact CD1-CE2 3.8Å; L208-F212 HydrophobicContact CG-CD2 4.3Å; L208-F212 HydrophobicContact CG-CE2 4.12Å; L208-F212 WeakPolarHBondContact O-CD2 3.5Å; L208-F212 PolarHBondContact O-N 3.25Å; V209-F212 PolarHBondContact O-N 3.25Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.8Å; F212-A215 PolarHBondContact O-N 3.22Å; F212-Y216 WeakPolarHBondContact O-CD2 3.48Å; F212-Y216 PolarHBondContact O-N 2.83Å
213	E	97.6	Very high	97.9	Very high	51 Å²	51	49.3 Å²	49.3	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-43.7	177.2	-164.8	-158.1	152.6	0	0	111.7	V209 Q210 Y216 R217 L223	V209-E213 PolarHBondContact O-N 3.14Å; Q210-E213 PolarHBondContact O-N 2.88Å; E213-Y216 PolarHBondContact O-N 3.06Å; E213-R217 WeakPolarHBondContact O-CB 3.29Å; E213-R217 PolarHBondContact O-N 3.38Å; E213-R217 IonicContact OE1-NH2 3.85Å; E213-R217 PolarHBondContact OE1-NH2 2.92Å; E213-L223 HydrophobicContact CB-CD2 4.21Å; E213-L223 HydrophobicContact CG-CB 4.32Å; E213-L223 HydrophobicContact CG-CD2 4.15Å
214	G	98.1	Very high	97.8	Very high	32 Å²	32	44.3 Å²	44.3	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-47	175	0	0	0	0	0	112.4	Q210 F212 R217 G218	Q210-G214 PolarHBondContact O-N 3.32Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.8Å; G214-R217 WeakPolarHBondContact O-CB 3.44Å; G214-R217 PolarHBondContact O-N 3.01Å; G214-G218 PolarHBondContact O-N 2.94Å
215	A	98.4	Very high	97.8	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-45.6	176.1	0	0	0	0	0	112.2	D194 L195 E211 F212 R217 G218 Y219	D194-A215 HydrophobicContact CB-CB 4.09Å; L195-A215 HydrophobicContact CD2-CB 3.5Å; L195-A215 HydrophobicContact CG-CB 3.93Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 3.03Å; F212-A215 PolarHBondContact O-N 3.22Å; A215-R217 VanDerWaalsContact C-N 3.31Å; A215-R217 PolarHBondContact O-N 2.92Å; A215-G218 WeakPolarHBondContact O-CA 3.32Å; A215-G218 PolarHBondContact O-N 2.77Å; A215-Y219 WeakPolarHBondContact O-CD2 3.47Å; A215-Y219 PolarHBondContact O-N 3.35Å
216	Y	98.5	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-45.7	174.2	-85.5	-65.3	0	0	0	112.1	F162 H173 L195 F212 E213 G218 Y219 W220 H221 L223 V332	F162-Y216 HydrophobicContact CB-CE2 3.82Å; F162-Y216 WeakPolarHBondContact CB-OH 3.3Å; F162-Y216 HydrophobicContact CD1-CE2 4.09Å; F162-Y216 HydrophobicContact CD2-CE2 4.15Å; F162-Y216 AromaticContact CG-CE2 3.76Å; F162-Y216 HydrophobicContact CG-CE2 3.76Å; H173-Y216 WeakPolarHBondContact CB-OH 3.08Å; H173-Y216 VanDerWaalsContact CG-OH 3.28Å; H173-Y216 PolarHBondContact ND1-OH 2.99Å; L195-Y216 HydrophobicContact CD1-CD1 4.03Å; L195-Y216 HydrophobicContact CD1-CE1 4.03Å; L195-Y216 HydrophobicContact CD2-CD1 4.22Å; L195-Y216 HydrophobicContact CD2-CD2 3.78Å; L195-Y216 HydrophobicContact CD2-CE1 4.23Å; L195-Y216 HydrophobicContact CD2-CE2 3.75Å; L195-Y216 HydrophobicContact CD2-CG 3.98Å; F212-Y216 WeakPolarHBondContact O-CD2 3.48Å; F212-Y216 PolarHBondContact O-N 2.83Å; E213-Y216 PolarHBondContact O-N 3.06Å; Y216-G218 PolarHBondContact O-N 3.03Å; Y216-Y219 CarbonylContact O-C 3.59Å; Y216-Y219 PolarHBondContact O-N 3.21Å; Y216-W220 PolarHBondContact O-N 2.78Å; Y216-H221 CarbonylContact C-O 3.57Å; Y216-H221 HydrophobicContact CD1-CB 3.73Å; Y216-H221 HydrophobicContact CG-CB 4.32Å; Y216-H221 WeakPolarHBondContact O-CB 3.45Å; Y216-H221 PolarHBondContact O-N 2.88Å; Y216-L223 HydrophobicContact CD2-CD1 4.18Å; Y216-L223 HydrophobicContact CE2-CD1 4.21Å; Y216-V332 HydrophobicContact CD1-CG2 4.37Å; Y216-V332 HydrophobicContact CE1-CB 4.41Å; Y216-V332 HydrophobicContact CE1-CG1 3.78Å; Y216-V332 HydrophobicContact CE1-CG2 4.23Å
217	R	97.6	Very high	97.9	Very high	154 Å²	154	46.8 Å²	46.8	58%	0.581	23%	0.227	S	C	*	.	H	α-helix	trans	-60.5	-36.2	177.5	-169.2	-174.9	-58.6	146.9	3.4	111.7	E213 G214 A215 Y219 W220	E213-R217 WeakPolarHBondContact O-CB 3.29Å; E213-R217 PolarHBondContact O-N 3.38Å; E213-R217 IonicContact OE1-NH2 3.85Å; E213-R217 PolarHBondContact OE1-NH2 2.92Å; G214-R217 WeakPolarHBondContact O-CB 3.44Å; G214-R217 PolarHBondContact O-N 3.01Å; A215-R217 VanDerWaalsContact C-N 3.31Å; A215-R217 PolarHBondContact O-N 2.92Å; R217-Y219 PolarHBondContact O-N 3.2Å; R217-W220 PolarHBondContact O-N 3.14Å
218	G	97.9	Very high	97.9	Very high	48 Å²	48	44 Å²	44	50%	0.495	21%	0.212	S	C	.	.	H	α-helix	trans	-58.1	-25.5	173.6	0	0	0	0	0	114	G214 A215 Y216	G214-G218 PolarHBondContact O-N 2.94Å; A215-G218 WeakPolarHBondContact O-CA 3.32Å; A215-G218 PolarHBondContact O-N 2.77Å; Y216-G218 PolarHBondContact O-N 3.03Å
219	Y	97.1	Very high	97.8	Very high	50 Å²	50	44 Å²	44	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	19.6	173.8	-55.9	-66.6	0	0	0	113.5	R192 D194 L195 A215 Y216 R217 H221 I330	R192-Y219 HydrophobicContact CB-CD2 4.46Å; R192-Y219 HydrophobicContact CB-CE2 3.69Å; R192-Y219 HydrophobicContact CG-CD2 4.03Å; R192-Y219 HydrophobicContact CG-CE1 4.27Å; R192-Y219 HydrophobicContact CG-CE2 3.66Å; R192-Y219 HydrophobicContact CG-CG 4.45Å; D194-Y219 WeakPolarHBondContact OD1-CE2 3.49Å; D194-Y219 PolarHBondContact OD1-OH 2.61Å; D194-Y219 VanDerWaalsContact OD1-OH 3.05Å; D194-Y219 PolarHBondContact OD2-OH 2.74Å; L195-Y219 HydrophobicContact CD1-CD2 3.79Å; L195-Y219 HydrophobicContact CD1-CE2 3.94Å; L195-Y219 HydrophobicContact CG-CE2 4.43Å; A215-Y219 WeakPolarHBondContact O-CD2 3.47Å; A215-Y219 PolarHBondContact O-N 3.35Å; Y216-Y219 CarbonylContact O-C 3.59Å; Y216-Y219 PolarHBondContact O-N 3.21Å; R217-Y219 PolarHBondContact O-N 3.2Å; Y219-H221 PolarHBondContact O-CD2 2.9Å; Y219-H221 VanDerWaalsContact O-CD2 3.32Å; Y219-H221 PolarHBondContact O-N 3.11Å; Y219-H221 VanDerWaalsContact O-N 3.16Å; Y219-I330 HydrophobicContact CD1-CG2 4.1Å
220	W	97.6	Very high	97.7	Very high	171 Å²	171	45.1 Å²	45.1	65%	0.648	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	16.7	-179	-51.7	-80.3	0	0	0	114.9	F166 Y216 R217 I330	F166-W220 HydrophobicContact CD2-CB 4Å; F166-W220 WeakPolarHBondContact CD2-O 3.31Å; F166-W220 HydrophobicContact CE2-CB 3.82Å; Y216-W220 PolarHBondContact O-N 2.78Å; R217-W220 PolarHBondContact O-N 3.14Å; W220-I330 HydrophobicContact CE3-CD1 4.44Å; W220-I330 HydrophobicContact CZ3-CD1 3.65Å
221	H	97.4	Very high	97.7	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.023	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-79.8	136.3	169.9	-78.3	-113.3	0	0	0	110	S164 F166 F171 Y216 Y219 V332	S164-H221 PolarHBondContact OG-ND1 2.87Å; F166-H221 AromaticContact CG-NE2 3.87Å; F171-H221 AromaticContact CD2-CE1 3.47Å; F171-H221 VanDerWaalsContact CD2-CE1 3.47Å; F171-H221 WeakPolarHBondContact CD2-CE1 3.46Å; F171-H221 AromaticContact CD2-ND1 3.95Å; F171-H221 AromaticContact CE2-CE1 3.94Å; F171-H221 AromaticContact CG-CE1 3.78Å; Y216-H221 CarbonylContact C-O 3.57Å; Y216-H221 HydrophobicContact CD1-CB 3.73Å; Y216-H221 HydrophobicContact CG-CB 4.32Å; Y216-H221 WeakPolarHBondContact O-CB 3.45Å; Y216-H221 PolarHBondContact O-N 2.88Å; Y219-H221 PolarHBondContact O-CD2 2.9Å; Y219-H221 VanDerWaalsContact O-CD2 3.32Å; Y219-H221 PolarHBondContact O-N 3.11Å; Y219-H221 VanDerWaalsContact O-N 3.16Å; H221-V332 WeakPolarHBondContact NE2-CG2 3.47Å
222	T	97.1	Very high	97.7	Very high	61 Å²	61	40.3 Å²	40.3	37%	0.374	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.5	165.5	-49.8	0	0	0	0	108.8	S164 H165 R224	S164-T222 CarbonylContact C-O 3.54Å; S164-T222 VanDerWaalsContact CA-O 3.25Å; S164-T222 WeakPolarHBondContact CA-O 3.34Å; H165-T222 PolarHBondContact N-O 2.75Å; H165-T222 PolarHBondContact O-N 3.35Å; T222-R224 PolarHBondContact O-N 3.19Å
223	L	96.6	Very high	97.6	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.9	176.1	-173.1	63.7	0	0	0	109.7	F162 E213 Y216 I226 V251	F162-L223 HydrophobicContact CB-CD1 3.77Å; F162-L223 HydrophobicContact CD1-CD1 3.85Å; F162-L223 HydrophobicContact CD1-CD2 4.17Å; F162-L223 HydrophobicContact CG-CD1 4.25Å; E213-L223 HydrophobicContact CB-CD2 4.21Å; E213-L223 HydrophobicContact CG-CB 4.32Å; E213-L223 HydrophobicContact CG-CD2 4.15Å; Y216-L223 HydrophobicContact CD2-CD1 4.18Å; Y216-L223 HydrophobicContact CE2-CD1 4.21Å; L223-I226 HydrophobicContact CD2-CD1 3.92Å; L223-I226 HydrophobicContact CD2-CG1 3.87Å; L223-I226 HydrophobicContact CG-CG1 4.39Å; L223-V251 HydrophobicContact CD2-CG2 4.38Å; L223-V251 HydrophobicContact CG-CG2 4.3Å
224	R	96.9	Very high	97.6	Very high	78 Å²	78	42 Å²	42	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-47.4	-174	-62.1	-61.9	-173.2	-170.5	1.1	112.5	K163 H165 T222 V251 D252	K163-R224 WeakPolarHBondContact O-CA 3.36Å; K163-R224 WeakPolarHBondContact O-CB 3.3Å; K163-R224 PolarHBondContact O-N 3.32Å; H165-R224 HydrophobicContact CB-CG 3.78Å; T222-R224 PolarHBondContact O-N 3.19Å; R224-V251 PolarHBondContact O-N 3.15Å; R224-D252 WeakPolarHBondContact CD-OD2 3.3Å; R224-D252 IonicContact CZ-OD2 3.54Å; R224-D252 IonicContact NE-OD2 3.33Å; R224-D252 IonicContact NH1-OD1 3.96Å; R224-D252 PolarHBondContact NH1-OD1 2.76Å; R224-D252 IonicContact NH1-OD2 2.76Å; R224-D252 PolarHBondContact NH1-OD2 3.25Å
225	K	97.8	Very high	97.5	Very high	58 Å²	58	44.2 Å²	44.2	25%	0.252	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.6	-179.3	-50.8	-167.8	179	-156.3	0	111.7	K163 L249 D250	K163-K225 HydrophobicContact CB-CB 3.98Å; K163-K225 HydrophobicContact CB-CG 4.46Å; K163-K225 HydrophobicContact CD-CD 4.3Å; K163-K225 HydrophobicContact CD-CG 4.29Å; K163-K225 PolarHBondContact N-O 2.77Å; K163-K225 PolarHBondContact O-N 3.16Å; K163-K225 VanDerWaalsContact O-N 3.09Å; K225-L249 CarbonylContact C-O 3.56Å; K225-L249 VanDerWaalsContact CA-O 3.27Å; K225-L249 WeakPolarHBondContact CA-O 3.33Å; K225-D250 WeakPolarHBondContact CD-OD1 3.44Å; K225-D250 WeakPolarHBondContact CE-OD1 3.44Å; K225-D250 VanDerWaalsContact CG-OD1 3.3Å; K225-D250 WeakPolarHBondContact CG-OD1 3.46Å; K225-D250 IonicContact NZ-OD1 3.42Å; K225-D250 PolarHBondContact NZ-OD1 3.26Å; K225-D250 VanDerWaalsContact NZ-OD1 3.16Å
226	I	98.1	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	169.3	-60.4	164.6	0	0	0	107.8	L160 S161 F162 V209 L223 I228 I248 L249 V251	L160-I226 HydrophobicContact CD1-CG2 3.71Å; S161-I226 CarbonylContact O-C 3.53Å; S161-I226 WeakPolarHBondContact O-CA 3.26Å; F162-I226 HydrophobicContact CD1-CG1 4.18Å; F162-I226 HydrophobicContact CE1-CG1 4.47Å; V209-I226 HydrophobicContact CG1-CD1 3.38Å; V209-I226 HydrophobicContact CG2-CD1 4.45Å; L223-I226 HydrophobicContact CD2-CD1 3.92Å; L223-I226 HydrophobicContact CD2-CG1 3.87Å; L223-I226 HydrophobicContact CG-CG1 4.39Å; I226-I228 HydrophobicContact CG2-CD1 4.16Å; I226-I228 HydrophobicContact CG2-CG1 3.79Å; I226-I248 WeakPolarHBondContact O-CA 3.39Å; I226-L249 PolarHBondContact N-O 3.06Å; I226-L249 PolarHBondContact O-N 3.2Å; I226-V251 HydrophobicContact CD1-CG2 3.61Å; I226-V251 HydrophobicContact CG1-CG2 3.68Å
227	K	98.5	Very high	97.4	Very high	52 Å²	52	51.8 Å²	51.8	23%	0.226	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.2	171.8	-49.5	-178.2	177.1	-177.5	0	108.7	S161 K245 S247 I248	S161-K227 PolarHBondContact N-O 3.12Å; S161-K227 PolarHBondContact O-N 3.27Å; K227-K245 HydrophobicContact CD-CB 4.46Å; K227-S247 CarbonylContact C-O 3.58Å; K227-S247 WeakPolarHBondContact CA-O 3.46Å; K227-I248 HydrophobicContact CG-CG1 4.23Å; K227-I248 HydrophobicContact CG-CG2 4.28Å
228	I	98.4	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.2	-175.8	-36.9	178.4	0	0	0	108.1	F158 L160 L205 I226 H246 S247 L249 L263 H266	F158-I228 HydrophobicContact CD2-CG2 3.74Å; F158-I228 HydrophobicContact CE2-CG2 4.03Å; L160-I228 HydrophobicContact CD1-CD1 4.44Å; L160-I228 HydrophobicContact CD1-CG1 3.92Å; L160-I228 HydrophobicContact CD1-CG2 4.31Å; L205-I228 HydrophobicContact CD2-CD1 4.02Å; I226-I228 HydrophobicContact CG2-CD1 4.16Å; I226-I228 HydrophobicContact CG2-CG1 3.79Å; I228-H246 WeakPolarHBondContact O-CB 3.19Å; I228-H246 PolarHBondContact O-N 3.21Å; I228-S247 PolarHBondContact N-O 2.97Å; I228-S247 PolarHBondContact O-N 3.11Å; I228-L249 HydrophobicContact CD1-CD1 4.24Å; I228-L263 HydrophobicContact CD1-CD2 3.26Å; I228-H266 WeakPolarHBondContact CG2-NE2 3.47Å
229	G	97.8	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.			trans	-89.8	175.4	176.6	0	0	0	0	0	114.2	P159 E243 H266	P159-G229 PolarHBondContact O-N 3.13Å; G229-E243 CarbonylContact C-O 3.55Å; G229-E243 WeakPolarHBondContact CA-O 3.38Å; G229-H266 PolarHBondContact O-CE1 3.33Å; G229-H266 PolarHBondContact O-NE2 3.19Å
230	Q	96.1	Very high	97.3	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.103	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.6	170.5	169.6	-75.6	-65.8	-18.1	0	0	111.8	V232 E243 H246	Q230-V232 PolarHBondContact O-N 2.75Å; Q230-E243 HydrophobicContact CB-CB 4.2Å; Q230-E243 HydrophobicContact CG-CB 4.49Å; Q230-E243 WeakPolarHBondContact CG-OE2 3.26Å; Q230-E243 PolarHBondContact N-O 2.8Å; Q230-H246 HydrophobicContact CG-CB 4.04Å; Q230-H246 PolarHBondContact NE2-CD2 2.88Å; Q230-H246 PolarHBondContact NE2-CE1 3.41Å; Q230-H246 PolarHBondContact NE2-ND1 2.81Å; Q230-H246 PolarHBondContact NE2-NE2 2.89Å
231	Y	96.9	Very high	97.3	Very high	41 Å²	41	50.2 Å²	50.2	16%	0.161	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.4	132.8	171.1	-67.3	-26.6	0	0	0	111.7	E156 R157 F158 H179 M270	E156-Y231 HydrophobicContact CB-CD1 3.76Å; E156-Y231 HydrophobicContact CB-CD2 4.03Å; E156-Y231 HydrophobicContact CB-CE1 3.53Å; E156-Y231 HydrophobicContact CB-CE2 3.81Å; E156-Y231 HydrophobicContact CB-CG 4.02Å; E156-Y231 HydrophobicContact CG-CD2 4Å; E156-Y231 HydrophobicContact CG-CE1 4.33Å; E156-Y231 HydrophobicContact CG-CE2 3.68Å; E156-Y231 HydrophobicContact CG-CG 4.45Å; E156-Y231 WeakPolarHBondContact OE2-CD2 3.36Å; R157-Y231 CarbonylContact O-C 3.6Å; R157-Y231 VanDerWaalsContact O-CA 3.28Å; R157-Y231 WeakPolarHBondContact O-CA 3.15Å; F158-Y231 HydrophobicContact CB-CD1 4.18Å; F158-Y231 HydrophobicContact CD1-CD1 4.09Å; F158-Y231 AromaticContact CD1-CE1 3.85Å; F158-Y231 HydrophobicContact CD1-CE1 3.85Å; H179-Y231 PolarHBondContact ND1-OH 3.07Å; H179-Y231 VanDerWaalsContact ND1-OH 3.17Å; Y231-M270 HydrophobicContact CD1-CB 4.33Å; Y231-M270 HydrophobicContact CD1-CG 4.44Å; Y231-M270 HydrophobicContact CD1-SD 3.74Å; Y231-M270 HydrophobicContact CD2-CB 4.25Å; Y231-M270 HydrophobicContact CE1-CB 3.98Å; Y231-M270 HydrophobicContact CE1-CE 4Å; Y231-M270 HydrophobicContact CE1-CG 4.29Å; Y231-M270 HydrophobicContact CE1-SD 3.47Å; Y231-M270 WeakPolarHBondContact CE1-SD 3.42Å; Y231-M270 HydrophobicContact CE2-CB 3.9Å; Y231-M270 HydrophobicContact CG-CB 4.45Å
232	V	97.8	Very high	97.3	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-83.4	131.2	177.9	-176.9	0	0	0	0	109.3	L119 I146 R157 Q230 I242	L119-V232 HydrophobicContact CD1-CG1 3.89Å; L119-V232 HydrophobicContact CD2-CG1 3.94Å; I146-V232 HydrophobicContact CD1-CG1 4.27Å; I146-V232 HydrophobicContact CD1-CG2 4.14Å; I146-V232 HydrophobicContact CG2-CG1 3.87Å; R157-V232 PolarHBondContact NH2-O 3.08Å; R157-V232 PolarHBondContact O-N 2.79Å; Q230-V232 PolarHBondContact O-N 2.75Å; V232-I242 HydrophobicContact CG1-CD1 4.49Å; V232-I242 HydrophobicContact CG1-CG1 4.18Å; V232-I242 HydrophobicContact CG2-CG1 4.34Å; V232-I242 HydrophobicContact CG2-CG2 4.1Å
233	S	96.8	Very high	97.3	Very high	40 Å²	40	51 Å²	51	28%	0.28	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-53.8	138.7	177	-177	0	0	0	0	112.4	L119 R157 D235	L119-S233 WeakPolarHBondContact CD2-O 3.4Å; R157-S233 PolarHBondContact NH2-O 3.32Å; S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact OG-N 2.93Å
234	H	97.6	Very high	97.3	Very high	47 Å²	47	52.1 Å²	52.1	22%	0.218	26%	0.256	C	S	.	.	S	Bend	trans	-75.3	-14.7	173.3	-78.6	-87.4	0	0	0	113.2	N150 M152 V155 P236	N150-H234 PolarHBondContact O-ND1 3.4Å; M152-H234 PolarHBondContact O-CE1 3.26Å; V155-H234 PolarHBondContact O-CE1 3.26Å; V155-H234 PolarHBondContact O-NE2 3.23Å; V155-H234 VanDerWaalsContact O-NE2 3.16Å; H234-P236 VanDerWaalsContact O-CD 3.22Å; H234-P236 WeakPolarHBondContact O-CD 3.25Å
235	D	97.6	Very high	97.2	Very high	78 Å²	78	53 Å²	53	42%	0.417	26%	0.261	S	S	.	.			trans	-75.7	110.3	177	178.3	10.6	0	0	0	110.3	S233 H237 S238	S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact OG-N 2.93Å; D235-H237 PolarHBondContact O-N 3.14Å; D235-H237 VanDerWaalsContact O-N 3.13Å; D235-H237 WeakPolarHBondContact OD1-CB 3.45Å; D235-H237 IonicContact OD1-CD2 2.77Å; D235-H237 PolarHBondContact OD1-N 3.29Å; D235-S238 WeakPolarHBondContact O-CB 3.4Å; D235-S238 PolarHBondContact O-N 3.18Å; D235-S238 VanDerWaalsContact O-N 3.12Å
236	P	96.8	Very high	97	Very high	39 Å²	39	51.1 Å²	51.1	25%	0.253	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.3	179.2	30.1	-36.2	0	0	0	113.1	T120 M123 H234	T120-P236 VanDerWaalsContact CA-O 3.28Å; T120-P236 WeakPolarHBondContact CA-O 3.41Å; M123-P236 HydrophobicContact CG-CB 4.15Å; H234-P236 VanDerWaalsContact O-CD 3.22Å; H234-P236 WeakPolarHBondContact O-CD 3.25Å
237	H	97.7	Very high	96.9	Very high	127 Å²	127	51.8 Å²	51.8	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	6	178.4	-58.9	-62	0	0	0	113.1	D235 V239	D235-H237 PolarHBondContact O-N 3.14Å; D235-H237 VanDerWaalsContact O-N 3.13Å; D235-H237 WeakPolarHBondContact OD1-CB 3.45Å; D235-H237 IonicContact OD1-CD2 2.77Å; D235-H237 PolarHBondContact OD1-N 3.29Å; H237-V239 PolarHBondContact O-N 3.17Å
238	S	97.1	Very high	96.9	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.084	27%	0.268	C	S	.	.			trans	-58.7	135.3	176.4	-179.2	0	0	0	0	111.3	T120 D235 E240	T120-S238 PolarHBondContact N-O 3.14Å; D235-S238 WeakPolarHBondContact O-CB 3.4Å; D235-S238 PolarHBondContact O-N 3.18Å; D235-S238 VanDerWaalsContact O-N 3.12Å; S238-E240 VanDerWaalsContact C-N 3.31Å; S238-E240 WeakPolarHBondContact OG-CB 3.3Å; S238-E240 WeakPolarHBondContact OG-CG 3.34Å; S238-E240 PolarHBondContact OG-N 2.69Å; S238-E240 VanDerWaalsContact OG-N 3.12Å
239	V	97.4	Very high	96.8	Very high	120 Å²	120	53.8 Å²	53.8	73%	0.727	27%	0.27	S	S	*	.			trans	-89.1	-1.1	173.6	-62.5	0	0	0	0	112.4	P118 H237	P118-V239 WeakPolarHBondContact CB-O 3.42Å; H237-V239 PolarHBondContact O-N 3.17Å
240	E	96.2	Very high	96.8	Very high	128 Å²	128	55.6 Å²	55.6	60%	0.598	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-68	150.6	175.4	-62.6	175.6	153.9	0	0	110.9	L119 S238	L119-E240 WeakPolarHBondContact CB-O 3.28Å; L119-E240 PolarHBondContact N-O 2.99Å; S238-E240 VanDerWaalsContact C-N 3.31Å; S238-E240 WeakPolarHBondContact OG-CB 3.3Å; S238-E240 WeakPolarHBondContact OG-CG 3.34Å; S238-E240 PolarHBondContact OG-N 2.69Å; S238-E240 VanDerWaalsContact OG-N 3.12Å
241	Q	97.5	Very high	96.7	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-86	148.3	170.3	-69.2	175.5	-8.4	0	0	109.8	S116 E243	S116-Q241 PolarHBondContact O-NE2 3.07Å; Q241-E243 PolarHBondContact O-N 3.03Å
242	I	97.6	Very high	96.3	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.056	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.2	168.8	-64	172.3	0	0	0	108.1	L119 L122 I143 I146 P159 V232 W244	L119-I242 HydrophobicContact CD1-CD1 4.02Å; L119-I242 HydrophobicContact CD1-CG1 4.1Å; L122-I242 HydrophobicContact CD1-CD1 3.71Å; L122-I242 HydrophobicContact CD1-CG1 4.33Å; I143-I242 HydrophobicContact CD1-CD1 4.01Å; I146-I242 HydrophobicContact CD1-CD1 3.7Å; P159-I242 HydrophobicContact CG-CG2 3.91Å; V232-I242 HydrophobicContact CG1-CD1 4.49Å; V232-I242 HydrophobicContact CG1-CG1 4.18Å; V232-I242 HydrophobicContact CG2-CG1 4.34Å; V232-I242 HydrophobicContact CG2-CG2 4.1Å; I242-W244 HydrophobicContact CB-CD2 4.23Å; I242-W244 HydrophobicContact CB-CH2 4.3Å; I242-W244 HydrophobicContact CB-CZ2 3.71Å; I242-W244 HydrophobicContact CD1-CH2 3.74Å; I242-W244 HydrophobicContact CD1-CZ2 3.69Å; I242-W244 HydrophobicContact CG1-CZ2 4.25Å; I242-W244 HydrophobicContact CG2-CD2 3.71Å; I242-W244 HydrophobicContact CG2-CE3 3.92Å; I242-W244 HydrophobicContact CG2-CG 4.28Å; I242-W244 HydrophobicContact CG2-CH2 4.05Å; I242-W244 HydrophobicContact CG2-CZ2 3.85Å; I242-W244 HydrophobicContact CG2-CZ3 4.08Å; I242-W244 PolarHBondContact O-N 3.17Å; I242-W244 VanDerWaalsContact O-N 3.15Å; I242-W244 PolarHBondContact O-NE1 2.88Å; I242-W244 VanDerWaalsContact O-NE1 3.11Å
243	E	96.9	Very high	96.1	Very high	72 Å²	72	65 Å²	65	34%	0.336	33%	0.327	S	S	.	.			trans	-80.3	96.2	172.9	-170.7	172.6	-173.7	0	0	109.6	G229 Q230 Q241 H246	G229-E243 CarbonylContact C-O 3.55Å; G229-E243 WeakPolarHBondContact CA-O 3.38Å; Q230-E243 HydrophobicContact CB-CB 4.2Å; Q230-E243 HydrophobicContact CG-CB 4.49Å; Q230-E243 WeakPolarHBondContact CG-OE2 3.26Å; Q230-E243 PolarHBondContact N-O 2.8Å; Q241-E243 PolarHBondContact O-N 3.03Å; E243-H246 HydrophobicContact CG-CB 4.06Å; E243-H246 IonicContact OE1-CE1 3.43Å; E243-H246 IonicContact OE1-CG 3.71Å; E243-H246 IonicContact OE1-ND1 3.69Å; E243-H246 PolarHBondContact OE1-ND1 2.81Å; E243-H246 IonicContact OE2-ND1 3.76Å; E243-H246 PolarHBondContact OE2-ND1 3.27Å
244	W	96.6	Very high	96	Very high	32 Å²	32	65.6 Å²	65.6	12%	0.121	33%	0.327	C	S	.	.			trans	-76.9	-24.3	-173.8	-55.6	95.2	0	0	0	115.3	K115 L122 L139 V142 I143 P159 I174 I242	K115-W244 HydrophobicContact CB-CZ2 4.2Å; K115-W244 HydrophobicContact CD-CD2 4.41Å; K115-W244 HydrophobicContact CG-CD2 4.39Å; K115-W244 HydrophobicContact CG-CZ2 4.11Å; K115-W244 PolarHBondContact O-NE1 2.84Å; L122-W244 HydrophobicContact CD1-CZ2 4.41Å; L139-W244 HydrophobicContact CD1-CH2 4.07Å; L139-W244 HydrophobicContact CD1-CZ3 4.03Å; V142-W244 HydrophobicContact CG1-CZ3 4.19Å; I143-W244 HydrophobicContact CD1-CH2 3.74Å; I143-W244 HydrophobicContact CD1-CZ2 4.34Å; P159-W244 HydrophobicContact CB-CE3 3.69Å; P159-W244 HydrophobicContact CB-CZ3 3.99Å; P159-W244 HydrophobicContact CG-CE3 3.96Å; I174-W244 HydrophobicContact CD1-CE3 3.85Å; I174-W244 HydrophobicContact CD1-CZ3 3.78Å; I242-W244 HydrophobicContact CB-CD2 4.23Å; I242-W244 HydrophobicContact CB-CH2 4.3Å; I242-W244 HydrophobicContact CB-CZ2 3.71Å; I242-W244 HydrophobicContact CD1-CH2 3.74Å; I242-W244 HydrophobicContact CD1-CZ2 3.69Å; I242-W244 HydrophobicContact CG1-CZ2 4.25Å; I242-W244 HydrophobicContact CG2-CD2 3.71Å; I242-W244 HydrophobicContact CG2-CE3 3.92Å; I242-W244 HydrophobicContact CG2-CG 4.28Å; I242-W244 HydrophobicContact CG2-CH2 4.05Å; I242-W244 HydrophobicContact CG2-CZ2 3.85Å; I242-W244 HydrophobicContact CG2-CZ3 4.08Å; I242-W244 PolarHBondContact O-N 3.17Å; I242-W244 VanDerWaalsContact O-N 3.15Å; I242-W244 PolarHBondContact O-NE1 2.88Å; I242-W244 VanDerWaalsContact O-NE1 3.11Å
245	K	94.2	Very high	95.9	Very high	96 Å²	96	66.1 Å²	66.1	42%	0.417	34%	0.336	S	S	.	.			trans	-138.2	52.4	-166.4	59	-179.7	177.2	-173.8	0	111.7	E17 K227 I248	E17-K245 IonicContact OE1-NZ 3.53Å; E17-K245 PolarHBondContact OE1-NZ 2.94Å; K227-K245 HydrophobicContact CD-CB 4.46Å; K245-I248 HydrophobicContact CB-CD1 4.14Å; K245-I248 HydrophobicContact CB-CG1 4.21Å
246	H	94.3	Very high	95.7	Very high	20 Å²	20	68.5 Å²	68.5	9%	0.093	34%	0.342	C	S	.	.	S	Bend	trans	-68.1	-48.9	178	-172.7	82.7	0	0	0	111.2	I228 Q230 E243 H266	I228-H246 WeakPolarHBondContact O-CB 3.19Å; I228-H246 PolarHBondContact O-N 3.21Å; Q230-H246 HydrophobicContact CG-CB 4.04Å; Q230-H246 PolarHBondContact NE2-CD2 2.88Å; Q230-H246 PolarHBondContact NE2-CE1 3.41Å; Q230-H246 PolarHBondContact NE2-ND1 2.81Å; Q230-H246 PolarHBondContact NE2-NE2 2.89Å; E243-H246 HydrophobicContact CG-CB 4.06Å; E243-H246 IonicContact OE1-CE1 3.43Å; E243-H246 IonicContact OE1-CG 3.71Å; E243-H246 IonicContact OE1-ND1 3.69Å; E243-H246 PolarHBondContact OE1-ND1 2.81Å; E243-H246 IonicContact OE2-ND1 3.76Å; E243-H246 PolarHBondContact OE2-ND1 3.27Å; H246-H266 AromaticContact CD2-CE1 3.94Å; H246-H266 AromaticContact CD2-ND1 3.87Å
247	S	95.9	Very high	95.7	Very high	13 Å²	13	71 Å²	71	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.1	172.1	-64.4	0	0	0	0	110.2	K227 I228 H266	K227-S247 CarbonylContact C-O 3.58Å; K227-S247 WeakPolarHBondContact CA-O 3.46Å; I228-S247 PolarHBondContact N-O 2.97Å; I228-S247 PolarHBondContact O-N 3.11Å; S247-H266 WeakPolarHBondContact CB-ND1 3.39Å; S247-H266 PolarHBondContact OG-ND1 3.02Å
248	I	97.3	Very high	95.6	Very high	85 Å²	85	69.5 Å²	69.5	44%	0.436	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.6	177.4	-56.5	175.9	0	0	0	106.9	I226 K227 K245	I226-I248 WeakPolarHBondContact O-CA 3.39Å; K227-I248 HydrophobicContact CG-CG1 4.23Å; K227-I248 HydrophobicContact CG-CG2 4.28Å; K245-I248 HydrophobicContact CB-CD1 4.14Å; K245-I248 HydrophobicContact CB-CG1 4.21Å
249	L	97.4	Very high	95.6	Very high	9 Å²	9	69.3 Å²	69.3	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.1	-174.7	-51.6	179.5	0	0	0	108.8	K225 I226 I228 V251 L254 L259 E262 L263	K225-L249 CarbonylContact C-O 3.56Å; K225-L249 VanDerWaalsContact CA-O 3.27Å; K225-L249 WeakPolarHBondContact CA-O 3.33Å; I226-L249 PolarHBondContact N-O 3.06Å; I226-L249 PolarHBondContact O-N 3.2Å; I228-L249 HydrophobicContact CD1-CD1 4.24Å; L249-V251 PolarHBondContact O-N 3.13Å; L249-L254 HydrophobicContact CB-CD1 4.11Å; L249-L259 HydrophobicContact CB-CD1 4.3Å; L249-L259 HydrophobicContact CD1-CD1 3.76Å; L249-E262 HydrophobicContact CD1-CB 4.18Å; L249-E262 HydrophobicContact CD2-CB 3.73Å; L249-E262 HydrophobicContact CD2-CG 4.12Å; L249-L263 HydrophobicContact CD1-CD2 3.58Å; L249-L263 HydrophobicContact CD1-CG 4Å
250	D	96.5	Very high	95.5	Very high	39 Å²	39	67 Å²	67	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	98.8	171.9	-76.3	-21.1	0	0	0	108.5	K225 D252 K253 L254	K225-D250 WeakPolarHBondContact CD-OD1 3.44Å; K225-D250 WeakPolarHBondContact CE-OD1 3.44Å; K225-D250 VanDerWaalsContact CG-OD1 3.3Å; K225-D250 WeakPolarHBondContact CG-OD1 3.46Å; K225-D250 IonicContact NZ-OD1 3.42Å; K225-D250 PolarHBondContact NZ-OD1 3.26Å; K225-D250 VanDerWaalsContact NZ-OD1 3.16Å; D250-D252 VanDerWaalsContact C-N 3.27Å; D250-D252 PolarHBondContact O-N 3.41Å; D250-K253 HydrophobicContact CB-CB 4.08Å; D250-K253 HydrophobicContact CB-CD 3.84Å; D250-K253 HydrophobicContact CB-CG 4.03Å; D250-K253 PolarHBondContact O-N 3.15Å; D250-K253 VanDerWaalsContact O-N 3.07Å; D250-K253 WeakPolarHBondContact OD2-CE 3.49Å; D250-K253 IonicContact OD2-NZ 2.72Å; D250-K253 PolarHBondContact OD2-NZ 3.29Å; D250-L254 WeakPolarHBondContact O-CG 3.46Å; D250-L254 PolarHBondContact O-N 3.07Å
251	V	93.9	Very high	95.6	Very high	19 Å²	19	66.4 Å²	66.4	12%	0.115	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.7	-36.4	-170.5	-178.1	0	0	0	0	111.7	L223 R224 I226 L249 K253 L254 L259	L223-V251 HydrophobicContact CD2-CG2 4.38Å; L223-V251 HydrophobicContact CG-CG2 4.3Å; R224-V251 PolarHBondContact O-N 3.15Å; I226-V251 HydrophobicContact CD1-CG2 3.61Å; I226-V251 HydrophobicContact CG1-CG2 3.68Å; L249-V251 PolarHBondContact O-N 3.13Å; V251-K253 VanDerWaalsContact C-N 3.25Å; V251-K253 PolarHBondContact O-N 3.21Å; V251-L254 PolarHBondContact O-N 3.01Å; V251-L259 HydrophobicContact CG1-CD2 4.46Å
252	D	89.6	Confident	95.6	Very high	90 Å²	90	63.7 Å²	63.7	48%	0.481	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70.1	-20.7	179.8	-61.2	-48	0	0	0	114	R224 D250	R224-D252 WeakPolarHBondContact CD-OD2 3.3Å; R224-D252 IonicContact CZ-OD2 3.54Å; R224-D252 IonicContact NE-OD2 3.33Å; R224-D252 IonicContact NH1-OD1 3.96Å; R224-D252 PolarHBondContact NH1-OD1 2.76Å; R224-D252 IonicContact NH1-OD2 2.76Å; R224-D252 PolarHBondContact NH1-OD2 3.25Å; D250-D252 VanDerWaalsContact C-N 3.27Å; D250-D252 PolarHBondContact O-N 3.41Å
253	K	93.9	Very high	95.5	Very high	160 Å²	160	63.2 Å²	63.2	70%	0.696	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-95.8	-9.5	-176.4	-63.3	-177.4	-173.4	161.9	0	112.7	D250 V251	D250-K253 HydrophobicContact CB-CB 4.08Å; D250-K253 HydrophobicContact CB-CD 3.84Å; D250-K253 HydrophobicContact CB-CG 4.03Å; D250-K253 PolarHBondContact O-N 3.15Å; D250-K253 VanDerWaalsContact O-N 3.07Å; D250-K253 WeakPolarHBondContact OD2-CE 3.49Å; D250-K253 IonicContact OD2-NZ 2.72Å; D250-K253 PolarHBondContact OD2-NZ 3.29Å; V251-K253 VanDerWaalsContact C-N 3.25Å; V251-K253 PolarHBondContact O-N 3.21Å
254	L	94.3	Very high	95.5	Very high	52 Å²	52	64.8 Å²	64.8	27%	0.272	31%	0.307	S	S	.	.	S	Bend	trans	-109.2	134.8	-174.8	-63.5	172	0	0	0	109.9	L249 D250 V251 E258 L259	L249-L254 HydrophobicContact CB-CD1 4.11Å; D250-L254 WeakPolarHBondContact O-CG 3.46Å; D250-L254 PolarHBondContact O-N 3.07Å; V251-L254 PolarHBondContact O-N 3.01Å; L254-E258 HydrophobicContact CB-CB 4.35Å; L254-E258 HydrophobicContact CD2-CB 4.07Å; L254-L259 HydrophobicContact CB-CB 4.32Å; L254-L259 HydrophobicContact CD1-CD1 4.29Å
255	S	95.3	Very high	95.4	Very high	58 Å²	58	69.3 Å²	69.3	41%	0.406	33%	0.325	S	S	.	.			trans	-64.6	160.2	163.1	68.1	0	0	0	0	110.5	E257 E258 L259	S255-E257 PolarHBondContact O-N 3.35Å; S255-E257 VanDerWaalsContact O-N 3.13Å; S255-E258 VanDerWaalsContact CB-OE2 3.24Å; S255-E258 WeakPolarHBondContact CB-OE2 3.47Å; S255-E258 PolarHBondContact N-OE2 2.95Å; S255-E258 PolarHBondContact O-N 3.09Å; S255-E258 VanDerWaalsContact O-N 3.16Å; S255-E258 VanDerWaalsContact OG-CD 3.23Å; S255-E258 VanDerWaalsContact OG-CG 3.29Å; S255-E258 WeakPolarHBondContact OG-CG 3.41Å; S255-E258 PolarHBondContact OG-N 3.38Å; S255-E258 PolarHBondContact OG-OE2 3.24Å; S255-L259 WeakPolarHBondContact O-CB 3.42Å; S255-L259 PolarHBondContact O-N 2.9Å
256	K	93.6	Very high	95.4	Very high	128 Å²	128	64.7 Å²	64.7	56%	0.557	31%	0.305	S	S	*	.	H	α-helix	trans	-56.1	-32.2	177.2	-171.2	174.6	-175.9	174.6	0	112.8	M206 R260	M206-K256 HydrophobicContact CE-CG 3.88Å; K256-R260 WeakPolarHBondContact O-CB 3.49Å; K256-R260 PolarHBondContact O-N 3.27Å
257	E	95.8	Very high	95.4	Very high	91 Å²	91	64.5 Å²	64.5	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-77.1	-40.3	179.3	-174.9	57.6	-153.5	0	0	112.4	S255 R260 K261	S255-E257 PolarHBondContact O-N 3.35Å; S255-E257 VanDerWaalsContact O-N 3.13Å; E257-R260 PolarHBondContact O-N 3.22Å; E257-R260 IonicContact OE2-CZ 3.73Å; E257-R260 IonicContact OE2-NH1 2.63Å; E257-R260 PolarHBondContact OE2-NH1 3.35Å; E257-K261 WeakPolarHBondContact O-CG 3.4Å; E257-K261 PolarHBondContact O-N 3.38Å; E257-K261 WeakPolarHBondContact OE1-CE 3.12Å
258	E	96.8	Very high	95.3	Very high	95 Å²	95	72.2 Å²	72.2	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-43.7	174.3	-70	160	144.6	0	0	111.1	L254 S255 R260 K261 E262	L254-E258 HydrophobicContact CB-CB 4.35Å; L254-E258 HydrophobicContact CD2-CB 4.07Å; S255-E258 VanDerWaalsContact CB-OE2 3.24Å; S255-E258 WeakPolarHBondContact CB-OE2 3.47Å; S255-E258 PolarHBondContact N-OE2 2.95Å; S255-E258 PolarHBondContact O-N 3.09Å; S255-E258 VanDerWaalsContact O-N 3.16Å; S255-E258 VanDerWaalsContact OG-CD 3.23Å; S255-E258 VanDerWaalsContact OG-CG 3.29Å; S255-E258 WeakPolarHBondContact OG-CG 3.41Å; S255-E258 PolarHBondContact OG-N 3.38Å; S255-E258 PolarHBondContact OG-OE2 3.24Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.12Å; E258-K261 PolarHBondContact O-N 3.2Å; E258-E262 PolarHBondContact O-N 3.49Å
259	L	96.1	Very high	94.9	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-57.8	-44.7	174.8	179.2	59.3	0	0	0	111.4	M206 L249 V251 L254 S255 E262 L263	M206-L259 HydrophobicContact CE-CD2 3.98Å; M206-L259 HydrophobicContact CE-CG 4.26Å; M206-L259 HydrophobicContact SD-CD2 4.24Å; M206-L259 HydrophobicContact SD-CG 4.16Å; L249-L259 HydrophobicContact CB-CD1 4.3Å; L249-L259 HydrophobicContact CD1-CD1 3.76Å; V251-L259 HydrophobicContact CG1-CD2 4.46Å; L254-L259 HydrophobicContact CB-CB 4.32Å; L254-L259 HydrophobicContact CD1-CD1 4.29Å; S255-L259 WeakPolarHBondContact O-CB 3.42Å; S255-L259 PolarHBondContact O-N 2.9Å; L259-E262 PolarHBondContact O-N 3.03Å; L259-L263 HydrophobicContact CD1-CD1 4.05Å; L259-L263 HydrophobicContact CD1-CG 4.16Å; L259-L263 HydrophobicContact CG-CD1 4.03Å; L259-L263 WeakPolarHBondContact O-CB 3.37Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.46Å; L259-L263 PolarHBondContact O-N 3.24Å
260	R	96.9	Very high	94.6	Very high	70 Å²	70	68.7 Å²	68.7	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-49.6	175.1	177.5	-174.9	-68	99	2.1	111.4	K256 E257 E258 E262 L263 E264	K256-R260 WeakPolarHBondContact O-CB 3.49Å; K256-R260 PolarHBondContact O-N 3.27Å; E257-R260 PolarHBondContact O-N 3.22Å; E257-R260 IonicContact OE2-CZ 3.73Å; E257-R260 IonicContact OE2-NH1 2.63Å; E257-R260 PolarHBondContact OE2-NH1 3.35Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.12Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.48Å; R260-L263 PolarHBondContact O-N 3.05Å; R260-E264 HydrophobicContact CG-CG 4.43Å; R260-E264 WeakPolarHBondContact CG-OE1 3.42Å; R260-E264 WeakPolarHBondContact O-CB 2.99Å; R260-E264 WeakPolarHBondContact O-CG 3.4Å; R260-E264 PolarHBondContact O-N 3.4Å
261	K	97.3	Very high	94	Very high	117 Å²	117	73.5 Å²	73.5	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-43.2	179.8	-74	173.1	-178.2	174.1	0	112.1	E257 E258 E264 R265	E257-K261 WeakPolarHBondContact O-CG 3.4Å; E257-K261 PolarHBondContact O-N 3.38Å; E257-K261 WeakPolarHBondContact OE1-CE 3.12Å; E258-K261 PolarHBondContact O-N 3.2Å; K261-E264 PolarHBondContact O-N 3.4Å; K261-R265 VanDerWaalsContact O-CB 3.25Å; K261-R265 WeakPolarHBondContact O-CB 3.09Å; K261-R265 PolarHBondContact O-N 3.2Å
262	E	97	Very high	93.4	Very high	71 Å²	71	77.7 Å²	77.7	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-65.7	-40.4	177.9	-73.6	-55.9	130.4	0	0	112.5	L249 E258 L259 R260 R265 H266	L249-E262 HydrophobicContact CD1-CB 4.18Å; L249-E262 HydrophobicContact CD2-CB 3.73Å; L249-E262 HydrophobicContact CD2-CG 4.12Å; E258-E262 PolarHBondContact O-N 3.49Å; L259-E262 PolarHBondContact O-N 3.03Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.48Å; E262-R265 PolarHBondContact O-N 2.72Å; E262-H266 WeakPolarHBondContact O-CB 3.3Å; E262-H266 PolarHBondContact O-N 3.25Å
263	L	96.9	Very high	92.6	Very high	1 Å²	1	81.8 Å²	81.8	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-38.4	176.1	-68.1	173.2	0	0	0	112.6	L205 M206 V209 I228 L249 L259 R260 T267	L205-L263 HydrophobicContact CD2-CB 4.41Å; L205-L263 HydrophobicContact CD2-CD2 3.94Å; L205-L263 HydrophobicContact CG-CD2 4.12Å; M206-L263 HydrophobicContact CB-CD1 4.06Å; M206-L263 HydrophobicContact CG-CD1 4.43Å; M206-L263 HydrophobicContact SD-CD1 3.5Å; M206-L263 WeakPolarHBondContact SD-CD1 3.28Å; V209-L263 HydrophobicContact CB-CD1 4.27Å; V209-L263 HydrophobicContact CG1-CD1 4.36Å; V209-L263 HydrophobicContact CG2-CD1 4.21Å; V209-L263 HydrophobicContact CG2-CD2 4.34Å; I228-L263 HydrophobicContact CD1-CD2 3.26Å; L249-L263 HydrophobicContact CD1-CD2 3.58Å; L249-L263 HydrophobicContact CD1-CG 4Å; L259-L263 HydrophobicContact CD1-CD1 4.05Å; L259-L263 HydrophobicContact CD1-CG 4.16Å; L259-L263 HydrophobicContact CG-CD1 4.03Å; L259-L263 WeakPolarHBondContact O-CB 3.37Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.46Å; L259-L263 PolarHBondContact O-N 3.24Å; R260-L263 PolarHBondContact O-N 3.05Å; L263-T267 WeakPolarHBondContact O-CB 3.31Å; L263-T267 PolarHBondContact O-N 3.08Å; L263-T267 PolarHBondContact O-OG1 3.16Å
264	E	95.8	Very high	91	Very high	105 Å²	105	78.3 Å²	78.3	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-42.7	174.2	-75.2	178.1	-171.8	0	0	111.7	R260 K261 T267 R268	R260-E264 HydrophobicContact CG-CG 4.43Å; R260-E264 WeakPolarHBondContact CG-OE1 3.42Å; R260-E264 WeakPolarHBondContact O-CB 2.99Å; R260-E264 WeakPolarHBondContact O-CG 3.4Å; R260-E264 PolarHBondContact O-N 3.4Å; K261-E264 PolarHBondContact O-N 3.4Å; E264-T267 PolarHBondContact O-N 2.97Å; E264-R268 PolarHBondContact O-N 3.29Å
265	R	95.1	Very high	89.2	Confident	127 Å²	127	77.9 Å²	77.9	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-51.6	172.7	-177.5	-170.5	171.3	-66.7	-10.8	110.2	K261 E262 T267 R268 D269	K261-R265 VanDerWaalsContact O-CB 3.25Å; K261-R265 WeakPolarHBondContact O-CB 3.09Å; K261-R265 PolarHBondContact O-N 3.2Å; E262-R265 PolarHBondContact O-N 2.72Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 3.07Å; R265-R268 WeakPolarHBondContact O-CB 3.4Å; R265-R268 PolarHBondContact O-N 2.9Å; R265-R268 VanDerWaalsContact O-N 3.12Å; R265-D269 IonicContact CZ-OD2 3.56Å; R265-D269 IonicContact NH1-OD2 2.78Å; R265-D269 PolarHBondContact NH1-OD2 3.22Å; R265-D269 IonicContact NH2-OD2 3.51Å; R265-D269 VanDerWaalsContact O-CG 3.31Å; R265-D269 PolarHBondContact O-N 2.92Å
266	H	94.6	Very high	87	Confident	0 Å²	0	82 Å²	82	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-43.2	177.1	-177.3	82.5	0	0	0	112.3	I228 G229 H246 S247 E262 R268 D269 M270	I228-H266 WeakPolarHBondContact CG2-NE2 3.47Å; G229-H266 PolarHBondContact O-CE1 3.33Å; G229-H266 PolarHBondContact O-NE2 3.19Å; H246-H266 AromaticContact CD2-CE1 3.94Å; H246-H266 AromaticContact CD2-ND1 3.87Å; S247-H266 WeakPolarHBondContact CB-ND1 3.39Å; S247-H266 PolarHBondContact OG-ND1 3.02Å; E262-H266 WeakPolarHBondContact O-CB 3.3Å; E262-H266 PolarHBondContact O-N 3.25Å; H266-R268 VanDerWaalsContact C-N 3.29Å; H266-R268 PolarHBondContact O-N 3.2Å; H266-D269 PolarHBondContact O-N 3.08Å; H266-M270 PolarHBondContact NE2-SD 2.88Å; H266-M270 VanDerWaalsContact NE2-SD 3.41Å; H266-M270 WeakPolarHBondContact O-CG 3.47Å; H266-M270 PolarHBondContact O-N 2.92Å
267	T	94	Very high	84.3	Confident	16 Å²	16	81.8 Å²	81.8	10%	0.098	38%	0.382	C	S	.	.	H	α-helix	trans	-60.2	-39	176.3	-60.6	0	0	0	0	112.2	F184 L263 E264 R265 R271	F184-T267 HydrophobicContact CE2-CG2 4.48Å; F184-T267 HydrophobicContact CZ-CG2 3.77Å; L263-T267 WeakPolarHBondContact O-CB 3.31Å; L263-T267 PolarHBondContact O-N 3.08Å; L263-T267 PolarHBondContact O-OG1 3.16Å; E264-T267 PolarHBondContact O-N 2.97Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 3.07Å; T267-R271 WeakPolarHBondContact O-CG 3.47Å; T267-R271 PolarHBondContact O-N 3.3Å
268	R	92.8	Very high	81.6	Confident	174 Å²	174	81.4 Å²	81.4	66%	0.657	40%	0.395	S	S	*	.	H	α-helix	trans	-67.3	-43.9	174.6	179	-179.7	-85.9	151.3	-5.9	111.2	E264 R265 H266 M270 R271 L272	E264-R268 PolarHBondContact O-N 3.29Å; R265-R268 WeakPolarHBondContact O-CB 3.4Å; R265-R268 PolarHBondContact O-N 2.9Å; R265-R268 VanDerWaalsContact O-N 3.12Å; H266-R268 VanDerWaalsContact C-N 3.29Å; H266-R268 PolarHBondContact O-N 3.2Å; R268-M270 PolarHBondContact O-N 3.47Å; R268-R271 PolarHBondContact O-N 3.38Å; R268-L272 HydrophobicContact CG-CD1 3.78Å; R268-L272 HydrophobicContact CG-CG 4.42Å; R268-L272 WeakPolarHBondContact O-CG 3.34Å; R268-L272 PolarHBondContact O-N 3.34Å
269	D	90.4	Very high	79	Confident	20 Å²	20	82.2 Å²	82.2	11%	0.107	41%	0.409	C	S	.	.	H	α-helix	trans	-60.1	-45.2	179.3	-67	-11.9	0	0	0	111.3	R265 H266 R271 L272 K273 I274	R265-D269 IonicContact CZ-OD2 3.56Å; R265-D269 IonicContact NH1-OD2 2.78Å; R265-D269 PolarHBondContact NH1-OD2 3.22Å; R265-D269 IonicContact NH2-OD2 3.51Å; R265-D269 VanDerWaalsContact O-CG 3.31Å; R265-D269 PolarHBondContact O-N 2.92Å; H266-D269 PolarHBondContact O-N 3.08Å; D269-R271 PolarHBondContact O-N 2.78Å; D269-L272 PolarHBondContact O-N 3.47Å; D269-K273 PolarHBondContact O-N 2.98Å; D269-K273 VanDerWaalsContact O-N 3.12Å; D269-I274 PolarHBondContact O-N 3.23Å; D269-I274 VanDerWaalsContact O-N 3.13Å
270	M	89.9	Confident	76.3	Confident	1 Å²	1	87.7 Å²	87.7	1%	0.005	45%	0.445	C	S	.	.	H	α-helix	trans	-57.8	-45.1	174.7	-71.8	-166.9	-66	0	0	112.3	F158 Y231 H266 R268 L272 K273	F158-M270 HydrophobicContact CB-SD 4.08Å; F158-M270 HydrophobicContact CD1-CE 4.43Å; F158-M270 HydrophobicContact CD1-SD 4.12Å; F158-M270 HydrophobicContact CD2-SD 4.38Å; F158-M270 HydrophobicContact CE1-CE 4.47Å; F158-M270 HydrophobicContact CG-SD 3.94Å; Y231-M270 HydrophobicContact CD1-CB 4.33Å; Y231-M270 HydrophobicContact CD1-CG 4.44Å; Y231-M270 HydrophobicContact CD1-SD 3.74Å; Y231-M270 HydrophobicContact CD2-CB 4.25Å; Y231-M270 HydrophobicContact CE1-CB 3.98Å; Y231-M270 HydrophobicContact CE1-CE 4Å; Y231-M270 HydrophobicContact CE1-CG 4.29Å; Y231-M270 HydrophobicContact CE1-SD 3.47Å; Y231-M270 WeakPolarHBondContact CE1-SD 3.42Å; Y231-M270 HydrophobicContact CE2-CB 3.9Å; Y231-M270 HydrophobicContact CG-CB 4.45Å; H266-M270 PolarHBondContact NE2-SD 2.88Å; H266-M270 VanDerWaalsContact NE2-SD 3.41Å; H266-M270 WeakPolarHBondContact O-CG 3.47Å; H266-M270 PolarHBondContact O-N 2.92Å; R268-M270 PolarHBondContact O-N 3.47Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-L272 PolarHBondContact O-N 3.17Å; M270-K273 PolarHBondContact O-N 2.62Å
271	R	84.6	Confident	73.4	Confident	140 Å²	140	89.2 Å²	89.2	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-66.5	-33.7	-179.4	-73.3	174.7	-179.1	-172.3	-0.2	113	H179 T267 R268 D269 K273	H179-R271 PolarHBondContact NE2-NH2 2.8Å; H179-R271 VanDerWaalsContact NE2-NH2 3.14Å; T267-R271 WeakPolarHBondContact O-CG 3.47Å; T267-R271 PolarHBondContact O-N 3.3Å; R268-R271 PolarHBondContact O-N 3.38Å; D269-R271 PolarHBondContact O-N 2.78Å; R271-K273 VanDerWaalsContact C-N 3.29Å
272	L	82	Confident	71	Confident	107 Å²	107	89.8 Å²	89.8	56%	0.56	48%	0.481	S	S	*	.	H	α-helix	trans	-86.7	-1.7	179.5	-63.1	174.7	0	0	0	112.6	R268 D269 M270 I274	R268-L272 HydrophobicContact CG-CD1 3.78Å; R268-L272 HydrophobicContact CG-CG 4.42Å; R268-L272 WeakPolarHBondContact O-CG 3.34Å; R268-L272 PolarHBondContact O-N 3.34Å; D269-L272 PolarHBondContact O-N 3.47Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-L272 PolarHBondContact O-N 3.17Å; L272-I274 HydrophobicContact CB-CD1 3.52Å; L272-I274 HydrophobicContact CB-CG1 3.58Å; L272-I274 HydrophobicContact CD1-CD1 3.61Å; L272-I274 HydrophobicContact CG-CD1 4.21Å; L272-I274 PolarHBondContact O-N 3.06Å; L272-I274 VanDerWaalsContact O-N 3.16Å
273	K	72.3	Confident	68.4	Low	176 Å²	176	92 Å²	92	77%	0.765	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	32.2	-171.8	-59.2	-175.6	177.8	-175.2	0	112.4	D269 M270 R271 G275	D269-K273 PolarHBondContact O-N 2.98Å; D269-K273 VanDerWaalsContact O-N 3.12Å; M270-K273 PolarHBondContact O-N 2.62Å; R271-K273 VanDerWaalsContact C-N 3.29Å; K273-G275 PolarHBondContact O-N 3.11Å
274	I	60.4	Low	65.9	Low	87 Å²	87	101.1 Å²	101.1	45%	0.446	54%	0.54	S	S	.	.			trans	-79	95.9	179.4	-63.9	170.5	0	0	0	106.9	D269 L272	D269-I274 PolarHBondContact O-N 3.23Å; D269-I274 VanDerWaalsContact O-N 3.13Å; L272-I274 HydrophobicContact CB-CD1 3.52Å; L272-I274 HydrophobicContact CB-CG1 3.58Å; L272-I274 HydrophobicContact CD1-CD1 3.61Å; L272-I274 HydrophobicContact CG-CD1 4.21Å; L272-I274 PolarHBondContact O-N 3.06Å; L272-I274 VanDerWaalsContact O-N 3.16Å
275	G	55.1	Low	63.7	Low	43 Å²	43	102.7 Å²	102.7	44%	0.443	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-70.4	167.4	166	0	0	0	0	0	111.3	K273	K273-G275 PolarHBondContact O-N 3.11Å
276	K	48.8	Very low	61.5	Low	145 Å²	145	108.5 Å²	108.5	63%	0.63	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-55.7	139.7	166.8	-76.8	179.1	178.6	172.5	0	108.8	A278	K276-A278 PolarHBondContact O-N 2.88Å
277	P	38.8	Very low	59	Low	122 Å²	122	119.5 Å²	119.5	79%	0.792	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-53.5	133	176	21.2	-30.9	0	0	0	109.1
278	A	37.8	Very low	56.4	Low	83 Å²	83	126.6 Å²	126.6	69%	0.686	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-51.1	142.5	175.3	0	0	0	0	0	109.4	K276	K276-A278 PolarHBondContact O-N 2.88Å
279	P	42.3	Very low	53.6	Low	113 Å²	113	124 Å²	124	73%	0.734	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.6	136.4	171.3	21.7	-30.2	0	0	0	108.1	S281	P279-S281 PolarHBondContact O-N 3.5Å
280	P	39	Very low	51.2	Low	124 Å²	124	132.2 Å²	132.2	81%	0.805	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-56	123.2	-174.6	21.3	-31.2	0	0	0	108.7
281	S	37	Very low	48.4	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-46.9	134.7	170.9	-56	0	0	0	0	108.4	P279 T283	P279-S281 PolarHBondContact O-N 3.5Å; S281-T283 PolarHBondContact O-N 3.28Å
282	P	46.3	Very low	46	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-53.2	120.1	178.9	20.6	-31.1	0	0	0	108.2	K284	P282-K284 PolarHBondContact O-N 3.39Å
283	T	42.6	Very low	44.2	Very low	119 Å²	119	135 Å²	135	73%	0.73	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-55	135.5	-178.7	39.1	0	0	0	0	108.8	S281 D285	S281-T283 PolarHBondContact O-N 3.28Å; T283-D285 PolarHBondContact O-N 2.97Å
284	K	44.5	Very low	42.4	Very low	191 Å²	191	134.2 Å²	134.2	83%	0.83	76%	0.763	S	S	*	*			trans	-77.2	46.9	-170.7	-146.3	179.4	-170.3	177.7	0	111.3	P282	P282-K284 PolarHBondContact O-N 3.39Å
285	D	48.9	Very low	41.2	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	78%	0.784	S	S	*	*			trans	-106.5	75.8	177.7	-73.9	-38.7	0	0	0	110.5	T283	T283-D285 PolarHBondContact O-N 2.97Å
286	R	48.6	Very low	40	Very low	249 Å²	249	141.1 Å²	141.1	94%	0.94	80%	0.799	S	S	*	*			trans	-179.9	73.1	144.1	-101.5	170.1	173.7	-167.3	-1.1	110.1
287	R	43.5	Very low	39.6	Very low	230 Å²	230	140.8 Å²	140.8	87%	0.868	81%	0.811	S	S	*	*			trans	-110.7	90.5	148.8	-97.2	-174	179.1	-179.9	-0.7	107.3
288	N	38.2	Very low	39.2	Very low	166 Å²	166	138.5 Å²	138.5	89%	0.888	81%	0.81	S	S	*	*			trans	-175.4	85.7	146.4	-94.7	-6.4	0	0	0	109.2
289	S	35	Very low	39.2	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	82%	0.817	S	S	*	*			trans	-170.6	105.7	131.5	-168.6	0	0	0	0	107.7
290	M	38.9	Very low	39	Very low	193 Å²	193	141.1 Å²	141.1	95%	0.951	82%	0.822	S	S	*	*			trans	-70	137.9	163.1	-83.5	-139	-70.6	0	0	109.1
291	G	31.6	Very low	38.8	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	82%	0.822	S	S	*	*			trans	168.1	81.1	165.9	0	0	0	0	0	113.1
292	S	35	Very low	38.7	Very low	119 Å²	119	148.3 Å²	148.3	83%	0.832	83%	0.828	S	S	*	*			trans	-94.3	143.9	149	-70.3	0	0	0	0	106.9
293	P	44.4	Very low	38	Very low	113 Å²	113	153.6 Å²	153.6	73%	0.734	83%	0.831	S	S	*	*				-151	144.8	83.7	35	-14.4	0	0	0	117.4
294	L	34.4	Very low	37.4	Very low	158 Å²	158	154.9 Å²	154.9	83%	0.827	83%	0.832	S	S	*	*			trans	60.8	137.9	130.6	-64.1	168.1	0	0	0	124.2
295	K	34.2	Very low	36.8	Very low	204 Å²	204	151.2 Å²	151.2	89%	0.887	83%	0.83	S	S	*	*			trans	81.4	118	143	-83.8	-178.2	175.9	-179.2	0	120.8
296	G	29.2	Very low	36	Very low	72 Å²	72	156.2 Å²	156.2	74%	0.742	84%	0.839	S	S	*	*			trans	135.3	146.5	134.7	0	0	0	0	0	116.4
297	P	41.1	Very low	35.3	Very low	138 Å²	138	150.4 Å²	150.4	90%	0.896	83%	0.831	S	S	*	*			trans	-109.2	169.1	-143.4	39.2	-29	0	0	0	114.5
298	G	30.3	Very low	34.8	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	83%	0.832	S	S	*	*			trans	163.3	89.5	162.5	0	0	0	0	0	115.9
299	S	37.6	Very low	34.4	Very low	119 Å²	119	151.6 Å²	151.6	83%	0.832	83%	0.831	S	S	*	*			trans	-68.3	151.1	157.9	-47.4	0	0	0	0	110.5
300	P	39.7	Very low	34.2	Very low	131 Å²	131	157.5 Å²	157.5	85%	0.851	84%	0.835	S	S	*	*			trans	-107.2	131.5	153.4	7.1	12.7	0	0	0	111.9
301	I	34.4	Very low	34.1	Very low	156 Å²	156	153.8 Å²	153.8	80%	0.8	83%	0.825	S	S	*	*			trans	-88.1	137	170.2	-83.3	171.2	0	0	0	110.2
302	R	34.1	Very low	34.2	Very low	222 Å²	222	156.1 Å²	156.1	84%	0.838	83%	0.83	S	S	*	*			trans	29.6	137.6	147.5	-65.5	-179.5	170.1	-178	-2.4	122.6
303	R	31.3	Very low	33.9	Very low	239 Å²	239	154 Å²	154	90%	0.902	83%	0.826	S	S	*	*				-163	108.8	123.4	-111.2	178.5	176.1	180	-0.9	109.6
304	I	31.1	Very low	33.3	Very low	145 Å²	145	157.7 Å²	157.7	74%	0.744	83%	0.834	S	S	*	*				54.6	110.3	92.6	-54.1	174.7	0	0	0	115.4
305	S	31.2	Very low	33.2	Very low	114 Å²	114	160 Å²	160	80%	0.797	84%	0.837	S	S	*	*			trans	158.1	143.1	138.8	56.6	0	0	0	0	107
306	R	32.7	Very low	33	Very low	244 Å²	244	160.1 Å²	160.1	92%	0.921	84%	0.838	S	S	*	*			cis	-162.9	147	9.2	-154.3	172.8	-179.2	172.8	-1.8	106.1
307	V	34.1	Very low	32.9	Very low	127 Å²	127	163 Å²	163	77%	0.77	84%	0.84	S	S	*	*			trans	-68.2	137.9	170.7	167.1	0	0	0	0	110.2
308	E	31.5	Very low	32.4	Very low	191 Å²	191	164.2 Å²	164.2	89%	0.893	84%	0.839	S	S	*	*				-168.1	134.5	126.2	-108.6	174.5	177.6	0	0	114.1
309	R	30.2	Very low	32.3	Very low	230 Å²	230	169.3 Å²	169.3	87%	0.868	84%	0.843	S	S	*	*			trans	-74.4	152.2	176.3	-66.3	170.6	173.8	174.6	-3.1	110.8
310	R	31.6	Very low	31.8	Very low	244 Å²	244	172.9 Å²	172.9	92%	0.921	85%	0.846	S	S	*	*				179.1	164.5	127.8	-101.5	173.6	-164.8	-151.3	6.8	112.2
311	P	36.8	Very low	31.4	Very low	114 Å²	114	176 Å²	176	74%	0.74	85%	0.847	S	S	*	*				-122.7	171.9	-116.3	40.1	-25.2	0	0	0	116.1
312	S	34.3	Very low	31.1	Very low	125 Å²	125	173.9 Å²	173.9	87%	0.874	84%	0.843	S	S	*	*			trans	38	114.7	143.6	-168.1	0	0	0	0	119.6
313	G	28.8	Very low	31	Very low	73 Å²	73	168.5 Å²	168.5	75%	0.753	84%	0.839	S	S	*	*			trans	-141.2	101.2	163.2	0	0	0	0	0	112.4
314	E	31.3	Very low	30.9	Very low	191 Å²	191	164.4 Å²	164.4	89%	0.893	84%	0.835	S	S	*	*			trans	66.2	110.4	141.9	-61.7	-178.2	163.1	0	0	121.9
315	K	31.4	Very low	31.2	Very low	208 Å²	208	165 Å²	165	90%	0.904	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-58.2	126.7	158.2	-76.9	175.1	172.6	176.7	0	110.2
316	K	30.2	Very low	31.2	Very low	206 Å²	206	167 Å²	167	90%	0.896	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-85.5	123.9	156.4	-94.7	-175.6	175.7	-179.4	0	110.2
317	V	27.8	Very low	31	Very low	131 Å²	131	158.1 Å²	158.1	79%	0.794	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.7	174.2	174.2	0	0	0	0	109.3	E319	V317-E319 PolarHBondContact O-N 3.29Å
318	L	29.9	Very low	30.9	Very low	164 Å²	164	161.9 Å²	161.9	86%	0.859	83%	0.826	S	S	*	*			trans	-75.9	114.8	164.6	-107	98.5	0	0	0	107.9	Q320	L318-Q320 PolarHBondContact O-N 2.96Å
319	E	27.9	Very low	31.1	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.7	124.3	167.8	-75.3	-175.8	152.4	0	0	110.2	V317	V317-E319 PolarHBondContact O-N 3.29Å
320	Q	27.8	Very low	31.2	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.4	170.1	-74	171.9	-21	0	0	109.2	L318	L318-Q320 PolarHBondContact O-N 2.96Å
321	K	31.5	Very low	32.4	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.857	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-95	147.7	162	-90.4	-174.3	178.2	-180	0	110.5
322	P	27.6	Very low	32.7	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-69.9	149.1	-165.3	28	-33.8	0	0	0	112.5	D324	P322-D324 PolarHBondContact O-N 3.37Å
323	S	32.1	Very low	32.7	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	70%	0.698	S	S	*	*			trans	-62.8	102.1	173.1	48.6	0	0	0	0	111.7	I325	S323-I325 PolarHBondContact O-N 2.94Å
324	D	28.6	Very low	32.9	Very low	154 Å²	154	137.9 Å²	137.9	82%	0.824	70%	0.695	S	S	*	*			trans	-81.9	103.2	161.6	-81.1	-23.7	0	0	0	109.2	P322 N326	P322-D324 PolarHBondContact O-N 3.37Å; D324-N326 PolarHBondContact O-N 2.81Å
325	I	38	Very low	33	Very low	158 Å²	158	134.9 Å²	134.9	81%	0.81	68%	0.684	S	S	*	*			trans	-55.4	110.7	156.5	-67.7	164.5	0	0	0	106.5	S323	S323-I325 PolarHBondContact O-N 2.94Å
326	N	30.5	Very low	33.1	Very low	155 Å²	155	130.6 Å²	130.6	83%	0.829	67%	0.671	S	S	*	*			trans	-152.3	128.8	157	-109.1	-16.6	0	0	0	111.9	D324	D324-N326 PolarHBondContact O-N 2.81Å
327	G	28.3	Very low	33.2	Very low	57 Å²	57	125.9 Å²	125.9	59%	0.588	66%	0.657	S	S	*	*			trans	-67.8	175	-168	0	0	0	0	0	115	Q329	G327-Q329 PolarHBondContact O-N 3.32Å
328	Y	32.8	Very low	33.6	Very low	207 Å²	207	125.6 Å²	125.6	81%	0.812	65%	0.648	S	S	*	*			trans	-0.4	83.4	165	-81	-92.4	0	0	0	114.9	I330	Y328-I330 PolarHBondContact O-N 3.16Å
329	Q	36.3	Very low	33.8	Very low	73 Å²	73	122.9 Å²	122.9	34%	0.341	63%	0.633	S	S	.	*			trans	-68.3	127.8	164.1	-74.8	175.3	-24.1	0	0	107.7	G327 R331	G327-Q329 PolarHBondContact O-N 3.32Å; Q329-R331 HydrophobicContact CB-CG 4.22Å; Q329-R331 WeakPolarHBondContact O-CG 3.37Å; Q329-R331 PolarHBondContact O-N 3.31Å; Q329-R331 VanDerWaalsContact O-N 3.07Å
330	I	32.3	Very low	34.3	Very low	59 Å²	59	118.3 Å²	118.3	30%	0.303	62%	0.616	S	S	.	*			trans	-67.4	105	171.8	-69.3	175.1	0	0	0	106.3	Y219 W220 Y328	Y219-I330 HydrophobicContact CD1-CG2 4.1Å; W220-I330 HydrophobicContact CE3-CD1 4.44Å; W220-I330 HydrophobicContact CZ3-CD1 3.65Å; Y328-I330 PolarHBondContact O-N 3.16Å
331	R	56.4	Low	34.8	Very low	58 Å²	58	112 Å²	112	22%	0.219	59%	0.592	C	S	.	*			trans	-108.5	148.7	179.6	-56.7	171.6	-176.2	176.7	0.7	110.1	R192 Q329	R192-R331 PolarHBondContact NE-O 3.26Å; R192-R331 VanDerWaalsContact NE-O 3.16Å; R192-R331 PolarHBondContact NH2-O 3.09Å; Q329-R331 HydrophobicContact CB-CG 4.22Å; Q329-R331 WeakPolarHBondContact O-CG 3.37Å; Q329-R331 PolarHBondContact O-N 3.31Å; Q329-R331 VanDerWaalsContact O-N 3.07Å
332	V	43.8	Very low	35.2	Very low	7 Å²	7	104.3 Å²	104.3	4%	0.042	57%	0.568	C	S	.	*			trans	-96.2	0	-172.7	169	0	0	0	0	114.3	S190 R191 R192 L195 Y216 H221	S190-V332 PolarHBondContact OG-OXT 3.42Å; R191-V332 WeakPolarHBondContact CA-OXT 3.26Å; R191-V332 WeakPolarHBondContact CB-OXT 3.28Å; R191-V332 WeakPolarHBondContact CG-OXT 3.35Å; R191-V332 PolarHBondContact N-OXT 3.31Å; R191-V332 PolarHBondContact NE-O 3.09Å; R191-V332 PolarHBondContact NE-OXT 3.46Å; R191-V332 PolarHBondContact NH2-O 2.85Å; R192-V332 HydrophobicContact CG-CG2 4.48Å; L195-V332 HydrophobicContact CB-CG1 4.3Å; L195-V332 HydrophobicContact CD1-CB 4.18Å; L195-V332 HydrophobicContact CD1-CG1 3.33Å; L195-V332 HydrophobicContact CD1-CG2 3.79Å; L195-V332 HydrophobicContact CG-CG1 4.38Å; Y216-V332 HydrophobicContact CD1-CG2 4.37Å; Y216-V332 HydrophobicContact CE1-CB 4.41Å; Y216-V332 HydrophobicContact CE1-CG1 3.78Å; Y216-V332 HydrophobicContact CE1-CG2 4.23Å; H221-V332 WeakPolarHBondContact NE2-CG2 3.47Å

Retrieved 332 of 332 residues in 56.2 ms (Link to these results)

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