A0A087Y9D6_POEFO Loading...

inositol-3-phosphate synthase

Key enzyme in myo-inositol biosynthesis pathway that catalyzes the conversion of glucose 6-phosphate to 1-myo-inositol 1-phosphate in a NAD-dependent manner. Rate-limiting enzyme in the synthesis of all inositol-containing compounds.

AlphaFold DB , UniProt , Accession A0A087Y9D6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 555 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	39.6	Very low	80.9	Confident	245 Å²	245	98.1 Å²	98.1	100%	1.207	57%	0.568	S	S	*	*				0	129.8	0	-70.4	-177.9	-112.6	0	0	106.6
2	S	52.3	Low	82.2	Confident	87 Å²	87	91.3 Å²	91.3	61%	0.608	53%	0.529	S	S	*	.			trans	-67.8	132.6	173.9	170.3	0	0	0	0	108.2	D122	S2-D122 PolarHBondContact OG-OD1 2.91Å
3	A	62.4	Low	83.4	Confident	44 Å²	44	94.1 Å²	94.1	36%	0.364	53%	0.531	S	S	.	.			trans	-80.5	123.9	179.1	0	0	0	0	0	109.1	I5 D122	A3-I5 PolarHBondContact O-N 3.38Å; A3-D122 PolarHBondContact N-OD2 3.15Å
4	S	78.1	Confident	84.3	Confident	120 Å²	120	91.9 Å²	91.9	84%	0.839	51%	0.511	S	S	*	.			trans	-78.8	100.6	171	177.9	0	0	0	0	109
5	I	88.9	Confident	85.1	Confident	32 Å²	32	88.1 Å²	88.1	16%	0.164	49%	0.491	C	S	.	.			trans	-76.9	125.1	177.9	-59.2	173.7	0	0	0	109.4	A3 V7 L108 V118 D122 L123	A3-I5 PolarHBondContact O-N 3.38Å; I5-V7 HydrophobicContact CG2-CG2 4.49Å; I5-L108 HydrophobicContact CD1-CD1 4.04Å; I5-L108 HydrophobicContact CD1-CD2 4.36Å; I5-L108 HydrophobicContact CG1-CD1 4.28Å; I5-L108 HydrophobicContact CG2-CD1 4.22Å; I5-V118 HydrophobicContact CD1-CB 4.11Å; I5-V118 HydrophobicContact CD1-CG1 4.31Å; I5-V118 HydrophobicContact CD1-CG2 3.62Å; I5-D122 HydrophobicContact CD1-CB 4.22Å; I5-D122 VanDerWaalsContact CD1-O 3.31Å; I5-D122 WeakPolarHBondContact CD1-O 3.3Å; I5-L123 HydrophobicContact CD1-CD2 4.03Å
6	H	92.8	Very high	85.7	Confident	131 Å²	131	92.4 Å²	92.4	61%	0.606	51%	0.513	S	S	*	.			trans	-124.6	117.6	174.2	180	73.3	0	0	0	109.6	Y14	H6-Y14 AromaticContact CE1-CD2 3.75Å; H6-Y14 AromaticContact CE1-CE2 3.72Å; H6-Y14 AromaticContact ND1-CD2 3.83Å; H6-Y14 AromaticContact ND1-CE2 3.56Å
7	V	94.9	Very high	86.3	Confident	20 Å²	20	91.9 Å²	91.9	12%	0.121	51%	0.513	C	S	.	.			trans	-90.4	110	177.4	-179.5	0	0	0	0	109.1	I5 S9 V12 Y14 L492 L494	I5-V7 HydrophobicContact CG2-CG2 4.49Å; V7-S9 PolarHBondContact O-N 3.17Å; V7-S9 VanDerWaalsContact O-N 3.14Å; V7-V12 HydrophobicContact CB-CG2 4.45Å; V7-V12 HydrophobicContact CG1-CG2 4.08Å; V7-Y14 PolarHBondContact N-OH 3.46Å; V7-L492 HydrophobicContact CG2-CB 4.09Å; V7-L494 HydrophobicContact CG1-CD2 3.91Å; V7-L494 HydrophobicContact CG1-CG 4.46Å; V7-L494 HydrophobicContact CG2-CD1 4.1Å; V7-L494 HydrophobicContact CG2-CD2 4.23Å; V7-L494 HydrophobicContact CG2-CG 4.17Å
8	N	94.8	Very high	86.9	Confident	158 Å²	158	89.7 Å²	89.7	85%	0.845	50%	0.498	S	S	*	.			trans	-81.6	87.1	173.3	-176.9	16.4	0	0	0	109.8
9	S	94.7	Very high	87.5	Confident	30 Å²	30	85.3 Å²	85.3	21%	0.21	47%	0.473	C	S	.	.			trans	-141.5	139.4	179.6	176.3	0	0	0	0	110.1	V7 N11 V12	V7-S9 PolarHBondContact O-N 3.17Å; V7-S9 VanDerWaalsContact O-N 3.14Å; S9-N11 PolarHBondContact O-N 3.46Å; S9-N11 VanDerWaalsContact O-N 3.13Å; S9-N11 PolarHBondContact OG-N 3.05Å; S9-V12 PolarHBondContact O-N 2.93Å; S9-V12 VanDerWaalsContact O-N 3.09Å
10	P	95	Very high	88	Confident	131 Å²	131	82.9 Å²	82.9	85%	0.851	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.1	172.8	28.6	-36	0	0	0	112.6	V12	P10-V12 VanDerWaalsContact C-N 3.32Å
11	N	95.9	Very high	88.5	Confident	81 Å²	81	79 Å²	79	43%	0.433	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	0.2	178.8	-64.4	-18.8	0	0	0	113	S9 A21 H22	S9-N11 PolarHBondContact O-N 3.46Å; S9-N11 VanDerWaalsContact O-N 3.13Å; S9-N11 PolarHBondContact OG-N 3.05Å; N11-A21 CarbonylContact O-C 3.56Å; N11-A21 WeakPolarHBondContact O-CA 3.47Å; N11-H22 HydrophobicContact CB-CB 4.11Å; N11-H22 PolarHBondContact O-N 2.73Å
12	V	97.5	Very high	91.3	Very high	16 Å²	16	71.8 Å²	71.8	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.7	-178.2	-174.8	0	0	0	0	109.7	V7 S9 P10 Y14 I19 E20 A21 L492	V7-V12 HydrophobicContact CB-CG2 4.45Å; V7-V12 HydrophobicContact CG1-CG2 4.08Å; S9-V12 PolarHBondContact O-N 2.93Å; S9-V12 VanDerWaalsContact O-N 3.09Å; P10-V12 VanDerWaalsContact C-N 3.32Å; V12-Y14 HydrophobicContact CG1-CD2 4.14Å; V12-Y14 HydrophobicContact CG1-CE2 3.56Å; V12-I19 HydrophobicContact CG1-CG2 4.18Å; V12-E20 CarbonylContact C-O 3.57Å; V12-E20 WeakPolarHBondContact CA-O 3.29Å; V12-A21 HydrophobicContact CG2-CB 4.45Å; V12-L492 WeakPolarHBondContact CG2-O 3.5Å
13	K	97.3	Very high	93.4	Very high	128 Å²	128	68.9 Å²	68.9	56%	0.557	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	176.7	-173.9	-177.7	179.6	-173.7	0	109.9	T15 E20	K13-T15 HydrophobicContact CD-CG2 4.22Å; K13-T15 HydrophobicContact CG-CG2 4.18Å; K13-E20 HydrophobicContact CB-CB 4.41Å; K13-E20 PolarHBondContact N-O 2.81Å; K13-E20 PolarHBondContact O-N 2.89Å
14	Y	96.7	Very high	95.1	Very high	63 Å²	63	68.9 Å²	68.9	25%	0.247	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.7	171.1	-62.3	-89.4	0	0	0	108.8	H6 V7 V12 I19	H6-Y14 AromaticContact CE1-CD2 3.75Å; H6-Y14 AromaticContact CE1-CE2 3.72Å; H6-Y14 AromaticContact ND1-CD2 3.83Å; H6-Y14 AromaticContact ND1-CE2 3.56Å; V7-Y14 PolarHBondContact N-OH 3.46Å; V12-Y14 HydrophobicContact CG1-CD2 4.14Å; V12-Y14 HydrophobicContact CG1-CE2 3.56Å; Y14-I19 HydrophobicContact CD1-CD1 4.4Å; Y14-I19 HydrophobicContact CD1-CG1 3.86Å; Y14-I19 HydrophobicContact CD1-CG2 4.25Å; Y14-I19 HydrophobicContact CE1-CD1 4.05Å; Y14-I19 HydrophobicContact CE1-CG1 3.95Å; Y14-I19 HydrophobicContact CE1-CG2 3.96Å
15	T	95.7	Very high	96	Very high	35 Å²	35	68.4 Å²	68.4	22%	0.215	35%	0.354	C	S	.	.			trans	-103.5	171.8	170.9	66.2	0	0	0	0	109.8	K13 T17 H18 R52	K13-T15 HydrophobicContact CD-CG2 4.22Å; K13-T15 HydrophobicContact CG-CG2 4.18Å; T15-T17 PolarHBondContact O-N 3.21Å; T15-H18 PolarHBondContact N-O 2.87Å; T15-H18 WeakPolarHBondContact OG1-CA 3.37Å; T15-H18 PolarHBondContact OG1-N 2.84Å; T15-H18 PolarHBondContact OG1-O 3.14Å; T15-R52 WeakPolarHBondContact O-CD 3.19Å; T15-R52 PolarHBondContact O-NH1 3.14Å
16	D	93.9	Very high	96.3	Very high	158 Å²	158	74.2 Å²	74.2	85%	0.845	38%	0.38	S	S	*	.	S	Bend	trans	-59.2	-31.4	177.3	-63.8	-25.8	0	0	0	112.5
17	T	96.4	Very high	96.5	Very high	84 Å²	84	70.2 Å²	70.2	52%	0.515	37%	0.365	S	S	.	.	S	Bend	trans	-106	-28.6	-173.7	53.5	0	0	0	0	114	T15 R52	T15-T17 PolarHBondContact O-N 3.21Å; T17-R52 PolarHBondContact O-N 3.5Å
18	H	97.8	Very high	96.5	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.236	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.7	-171.5	-61.8	86.9	0	0	0	114	T15 E20 R49 T50	T15-H18 PolarHBondContact N-O 2.87Å; T15-H18 WeakPolarHBondContact OG1-CA 3.37Å; T15-H18 PolarHBondContact OG1-N 2.84Å; T15-H18 PolarHBondContact OG1-O 3.14Å; H18-E20 HydrophobicContact CB-CG 4.34Å; H18-R49 HydrophobicContact CB-CG 3.91Å; H18-R49 WeakPolarHBondContact CD2-CG 3.37Å; H18-T50 CarbonylContact C-O 3.53Å; H18-T50 VanDerWaalsContact CA-O 3.28Å; H18-T50 WeakPolarHBondContact CA-O 3.18Å
19	I	98.1	Very high	96.6	Very high	7 Å²	7	69 Å²	69	4%	0.036	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.7	156.9	-53.1	172.6	0	0	0	106.6	V12 Y14 R49 T50 R52 L124 P125	V12-I19 HydrophobicContact CG1-CG2 4.18Å; Y14-I19 HydrophobicContact CD1-CD1 4.4Å; Y14-I19 HydrophobicContact CD1-CG1 3.86Å; Y14-I19 HydrophobicContact CD1-CG2 4.25Å; Y14-I19 HydrophobicContact CE1-CD1 4.05Å; Y14-I19 HydrophobicContact CE1-CG1 3.95Å; Y14-I19 HydrophobicContact CE1-CG2 3.96Å; I19-R49 WeakPolarHBondContact O-CA 3.39Å; I19-T50 PolarHBondContact N-O 2.85Å; I19-T50 PolarHBondContact O-N 2.86Å; I19-R52 HydrophobicContact CG1-CG 3.89Å; I19-L124 HydrophobicContact CD1-CD2 4.04Å; I19-P125 HydrophobicContact CD1-CG 4.41Å
20	E	98	Very high	96.6	Very high	37 Å²	37	72.1 Å²	72.1	17%	0.173	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.6	173.6	-62	-172.3	146.5	0	0	109.2	V12 K13 H18 F48 R49	V12-E20 CarbonylContact C-O 3.57Å; V12-E20 WeakPolarHBondContact CA-O 3.29Å; K13-E20 HydrophobicContact CB-CB 4.41Å; K13-E20 PolarHBondContact N-O 2.81Å; K13-E20 PolarHBondContact O-N 2.89Å; H18-E20 HydrophobicContact CB-CG 4.34Å; E20-F48 CarbonylContact C-O 3.58Å; E20-F48 WeakPolarHBondContact CA-O 3.46Å; E20-R49 HydrophobicContact CG-CG 4.38Å; E20-R49 IonicContact OE1-CZ 3.27Å; E20-R49 VanDerWaalsContact OE1-CZ 3.27Å; E20-R49 IonicContact OE1-NE 2.95Å; E20-R49 PolarHBondContact OE1-NE 2.84Å; E20-R49 IonicContact OE1-NH2 2.75Å; E20-R49 PolarHBondContact OE1-NH2 2.9Å
21	A	98.2	Very high	96.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.3	-178.1	0	0	0	0	0	111.1	N11 V12 T47 F48 A490 C491	N11-A21 CarbonylContact O-C 3.56Å; N11-A21 WeakPolarHBondContact O-CA 3.47Å; V12-A21 HydrophobicContact CG2-CB 4.45Å; A21-T47 CarbonylContact O-C 3.58Å; A21-T47 WeakPolarHBondContact O-CA 3.29Å; A21-F48 HydrophobicContact CB-CB 4.42Å; A21-F48 PolarHBondContact N-O 2.89Å; A21-F48 PolarHBondContact O-N 2.88Å; A21-A490 WeakPolarHBondContact CB-O 3.28Å; A21-C491 WeakPolarHBondContact CB-O 3.39Å
22	H	97.7	Very high	96.6	Very high	94 Å²	94	72 Å²	72	44%	0.435	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.9	167.6	-61.4	-67	0	0	0	109.3	N11 M46 T47	N11-H22 HydrophobicContact CB-CB 4.11Å; N11-H22 PolarHBondContact O-N 2.73Å; H22-M46 WeakPolarHBondContact CA-O 3.37Å; H22-T47 PolarHBondContact ND1-OG1 3.09Å
23	Y	97.6	Very high	96.4	Very high	27 Å²	27	76.5 Å²	76.5	11%	0.106	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.9	-172.2	179.8	-95.2	0	0	0	110.8	Y25 M46 F48 A490 P496	Y23-Y25 HydrophobicContact CE1-CD2 4.09Å; Y23-Y25 PolarHBondContact O-N 3.13Å; Y23-M46 PolarHBondContact N-O 2.81Å; Y23-M46 PolarHBondContact O-N 3.44Å; Y23-F48 AromaticContact CD1-CE2 3.9Å; Y23-F48 HydrophobicContact CD1-CE2 3.9Å; Y23-F48 HydrophobicContact CG-CE2 4.19Å; Y23-A490 HydrophobicContact CD1-CB 4Å; Y23-A490 HydrophobicContact CD2-CB 3.74Å; Y23-A490 HydrophobicContact CE1-CB 4.04Å; Y23-A490 HydrophobicContact CE2-CB 3.79Å; Y23-A490 HydrophobicContact CG-CB 3.84Å; Y23-P496 WeakPolarHBondContact OH-CD 3.47Å
24	S	97.3	Very high	96.1	Very high	43 Å²	43	73.3 Å²	73.3	30%	0.301	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103.4	176.9	-161.8	0	0	0	0	109.6	Q26 S43 E45	S24-Q26 PolarHBondContact O-N 2.75Å; S24-S43 PolarHBondContact OG-OG 3.22Å; S24-E45 WeakPolarHBondContact CB-OE1 3.45Å; S24-E45 PolarHBondContact OG-OE1 3.19Å
25	Y	96.6	Very high	95.9	Very high	111 Å²	111	78.4 Å²	78.4	44%	0.435	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.1	-180	-178	-122.4	0	0	0	110.7	Y23 T27 S43 T44 M46	Y23-Y25 HydrophobicContact CE1-CD2 4.09Å; Y23-Y25 PolarHBondContact O-N 3.13Å; Y25-T27 HydrophobicContact CD1-CG2 3.73Å; Y25-T27 HydrophobicContact CE1-CG2 3.16Å; Y25-T27 HydrophobicContact CE2-CG2 4.16Å; Y25-T27 HydrophobicContact CG-CG2 4.45Å; Y25-T27 VanDerWaalsContact CZ-CG2 3.4Å; Y25-S43 WeakPolarHBondContact O-CA 3.33Å; Y25-T44 WeakPolarHBondContact CB-O 3.47Å; Y25-T44 PolarHBondContact N-O 2.87Å; Y25-T44 PolarHBondContact O-N 2.88Å; Y25-M46 HydrophobicContact CD1-CE 3.48Å; Y25-M46 VanDerWaalsContact CD1-CE 3.48Å; Y25-M46 HydrophobicContact CD1-SD 4.36Å; Y25-M46 HydrophobicContact CE1-CE 4.36Å; Y25-M46 HydrophobicContact CG-CE 3.91Å; Y25-M46 HydrophobicContact CG-SD 4.23Å
26	Q	96.3	Very high	95.9	Very high	154 Å²	154	84 Å²	84	72%	0.72	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	-179.9	-66.4	178.6	-15.2	0	0	110.9	S24 S42 S43	S24-Q26 PolarHBondContact O-N 2.75Å; Q26-S42 WeakPolarHBondContact CA-O 3.18Å; Q26-S43 WeakPolarHBondContact CG-OG 3.41Å
27	T	95.3	Very high	96.1	Very high	47 Å²	47	80.4 Å²	80.4	29%	0.288	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	167.7	175.9	57.9	0	0	0	0	111	Y25 S42	Y25-T27 HydrophobicContact CD1-CG2 3.73Å; Y25-T27 HydrophobicContact CE1-CG2 3.16Å; Y25-T27 HydrophobicContact CE2-CG2 4.16Å; Y25-T27 HydrophobicContact CG-CG2 4.45Å; Y25-T27 VanDerWaalsContact CZ-CG2 3.4Å; T27-S42 PolarHBondContact N-O 2.87Å; T27-S42 PolarHBondContact O-N 2.97Å; T27-S42 VanDerWaalsContact O-O 3.07Å; T27-S42 PolarHBondContact O-OG 2.95Å; T27-S42 PolarHBondContact OG1-OG 3.32Å
28	T	96.4	Very high	96.1	Very high	84 Å²	84	79.2 Å²	79.2	52%	0.515	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122	179.7	-62.1	0	0	0	0	109.2	V30 V39	T28-V30 HydrophobicContact CG2-CG2 4.28Å; T28-V39 HydrophobicContact CG2-CG1 3.17Å
29	S	96	Very high	96.1	Very high	68 Å²	68	80.9 Å²	80.9	48%	0.476	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.2	169.9	65.7	0	0	0	0	110.3	T40	S29-T40 PolarHBondContact N-O 2.84Å; S29-T40 PolarHBondContact O-N 3.23Å; S29-T40 WeakPolarHBondContact OG-CB 3.46Å; S29-T40 PolarHBondContact OG-O 3.48Å
30	V	95.9	Very high	96.1	Very high	95 Å²	95	84.1 Å²	84.1	58%	0.576	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.6	-177.2	-176.3	0	0	0	0	108.6	T28 V37 T38	T28-V30 HydrophobicContact CG2-CG2 4.28Å; V30-V37 HydrophobicContact CG1-CG1 3.47Å; V30-V37 VanDerWaalsContact CG1-CG1 3.47Å; V30-T38 WeakPolarHBondContact CA-O 3.45Å
31	C	96	Very high	96.1	Very high	66 Å²	66	87.2 Å²	87.2	45%	0.446	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	173	-176.3	0	0	0	0	109.2	T38	C31-T38 PolarHBondContact N-O 3.34Å; C31-T38 PolarHBondContact O-N 2.98Å
32	Q	93.7	Very high	96	Very high	145 Å²	145	89.8 Å²	89.8	68%	0.678	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	122.4	178.3	-175.1	171.5	-9	0	0	110.5	G34 R36 V37	Q32-G34 PolarHBondContact NE2-O 3.38Å; Q32-R36 WeakPolarHBondContact CA-O 3.49Å; Q32-V37 HydrophobicContact CG-CG2 4.35Å
33	E	93.8	Very high	96	Very high	110 Å²	110	88.1 Å²	88.1	51%	0.514	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	99.4	176.4	-69.8	175.4	177.8	0	0	108.8	N35 R36	E33-N35 PolarHBondContact O-N 3.03Å; E33-N35 VanDerWaalsContact O-N 3.15Å; E33-R36 PolarHBondContact N-O 3.44Å; E33-R36 PolarHBondContact O-N 3.15Å; E33-R36 IonicContact OE2-CZ 3Å; E33-R36 IonicContact OE2-NE 3Å; E33-R36 IonicContact OE2-NH2 3.47Å; E33-R36 PolarHBondContact OE2-NH2 3.2Å
34	G	91.7	Very high	95.9	Very high	60 Å²	60	89.1 Å²	89.1	62%	0.619	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-117.4	-170.5	0	0	0	0	0	111.2	Q32	Q32-G34 PolarHBondContact NE2-O 3.38Å
35	N	92.4	Very high	95.9	Very high	171 Å²	171	90.9 Å²	90.9	91%	0.914	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.1	179.1	-69.6	-5.8	0	0	0	113.9	E33	E33-N35 PolarHBondContact O-N 3.03Å; E33-N35 VanDerWaalsContact O-N 3.15Å
36	R	95.6	Very high	96	Very high	153 Å²	153	87 Å²	87	58%	0.577	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.9	179.4	-175.1	173.1	66.6	172.7	2.6	109.9	Q32 E33	Q32-R36 WeakPolarHBondContact CA-O 3.49Å; E33-R36 PolarHBondContact N-O 3.44Å; E33-R36 PolarHBondContact O-N 3.15Å; E33-R36 IonicContact OE2-CZ 3Å; E33-R36 IonicContact OE2-NE 3Å; E33-R36 IonicContact OE2-NH2 3.47Å; E33-R36 PolarHBondContact OE2-NH2 3.2Å
37	V	96.8	Very high	96.1	Very high	81 Å²	81	80.4 Å²	80.4	49%	0.491	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.5	171.2	-176.6	0	0	0	0	108.2	V30 Q32 V39	V30-V37 HydrophobicContact CG1-CG1 3.47Å; V30-V37 VanDerWaalsContact CG1-CG1 3.47Å; Q32-V37 HydrophobicContact CG-CG2 4.35Å; V37-V39 HydrophobicContact CG1-CG2 4.06Å
38	T	97.3	Very high	96.2	Very high	60 Å²	60	78.9 Å²	78.9	37%	0.368	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.1	176.3	-54.2	0	0	0	0	108.9	V30 C31	V30-T38 WeakPolarHBondContact CA-O 3.45Å; C31-T38 PolarHBondContact N-O 3.34Å; C31-T38 PolarHBondContact O-N 2.98Å
39	V	97.7	Very high	96.3	Very high	86 Å²	86	78.3 Å²	78.3	52%	0.521	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.1	-173.9	-176.3	0	0	0	0	108.8	T28 V37	T28-V39 HydrophobicContact CG2-CG1 3.17Å; V37-V39 HydrophobicContact CG1-CG2 4.06Å
40	T	97.9	Very high	96.4	Very high	75 Å²	75	75.1 Å²	75.1	46%	0.46	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	104.8	-177.9	-50.2	0	0	0	0	109.9	S29	S29-T40 PolarHBondContact N-O 2.84Å; S29-T40 PolarHBondContact O-N 3.23Å; S29-T40 WeakPolarHBondContact OG-CB 3.46Å; S29-T40 PolarHBondContact OG-O 3.48Å
41	P	97.5	Very high	96.5	Very high	101 Å²	101	73.9 Å²	73.9	66%	0.656	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	141.4	173.2	30.1	-33.1	0	0	0	110.3
42	S	96.8	Very high	96.6	Very high	54 Å²	54	75.6 Å²	75.6	38%	0.378	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.2	176	62.2	0	0	0	0	110.4	Q26 T27	Q26-S42 WeakPolarHBondContact CA-O 3.18Å; T27-S42 PolarHBondContact N-O 2.87Å; T27-S42 PolarHBondContact O-N 2.97Å; T27-S42 VanDerWaalsContact O-O 3.07Å; T27-S42 PolarHBondContact O-OG 2.95Å; T27-S42 PolarHBondContact OG1-OG 3.32Å
43	S	97.1	Very high	96.7	Very high	59 Å²	59	75.9 Å²	75.9	41%	0.413	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.2	171.3	-146	0	0	0	0	109.4	S24 Y25 Q26	S24-S43 PolarHBondContact OG-OG 3.22Å; Y25-S43 WeakPolarHBondContact O-CA 3.33Å; Q26-S43 WeakPolarHBondContact CG-OG 3.41Å
44	T	96.4	Very high	96.9	Very high	49 Å²	49	73.2 Å²	73.2	30%	0.301	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.1	174.9	-55.2	0	0	0	0	108.4	Y25 M46 P442	Y25-T44 WeakPolarHBondContact CB-O 3.47Å; Y25-T44 PolarHBondContact N-O 2.87Å; Y25-T44 PolarHBondContact O-N 2.88Å; T44-M46 HydrophobicContact CG2-CE 4.03Å; T44-M46 HydrophobicContact CG2-CG 4.47Å; T44-P442 HydrophobicContact CG2-CB 4.48Å
45	E	97.7	Very high	97.2	Very high	79 Å²	79	71 Å²	71	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.1	173.9	-61.9	-55.3	134.9	0	0	110	S24 Q443	S24-E45 WeakPolarHBondContact CB-OE1 3.45Å; S24-E45 PolarHBondContact OG-OE1 3.19Å; E45-Q443 HydrophobicContact CB-CB 4.04Å; E45-Q443 VanDerWaalsContact O-CB 3.26Å; E45-Q443 WeakPolarHBondContact O-CB 3.37Å; E45-Q443 PolarHBondContact O-N 2.8Å
46	M	97.6	Very high	97.4	Very high	31 Å²	31	68.6 Å²	68.6	15%	0.153	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146	-179.2	-59.3	-173.2	174.2	0	0	109.9	H22 Y23 Y25 T44 F48 V440 R441	H22-M46 WeakPolarHBondContact CA-O 3.37Å; Y23-M46 PolarHBondContact N-O 2.81Å; Y23-M46 PolarHBondContact O-N 3.44Å; Y25-M46 HydrophobicContact CD1-CE 3.48Å; Y25-M46 VanDerWaalsContact CD1-CE 3.48Å; Y25-M46 HydrophobicContact CD1-SD 4.36Å; Y25-M46 HydrophobicContact CE1-CE 4.36Å; Y25-M46 HydrophobicContact CG-CE 3.91Å; Y25-M46 HydrophobicContact CG-SD 4.23Å; T44-M46 HydrophobicContact CG2-CE 4.03Å; T44-M46 HydrophobicContact CG2-CG 4.47Å; M46-F48 HydrophobicContact CB-CD2 4.34Å; M46-F48 HydrophobicContact CB-CE2 3.94Å; M46-F48 HydrophobicContact SD-CE2 4.34Å; M46-F48 HydrophobicContact SD-CZ 4.5Å; M46-V440 HydrophobicContact CB-CG1 4.22Å; M46-V440 HydrophobicContact SD-CG1 4.19Å; M46-R441 WeakPolarHBondContact CA-O 3.1Å
47	T	98.1	Very high	97.6	Very high	15 Å²	15	61.4 Å²	61.4	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.6	167.9	-51.7	0	0	0	0	108.8	A21 H22 V440 R441 F448	A21-T47 CarbonylContact O-C 3.58Å; A21-T47 WeakPolarHBondContact O-CA 3.29Å; H22-T47 PolarHBondContact ND1-OG1 3.09Å; T47-V440 CarbonylContact O-C 3.11Å; T47-V440 WeakPolarHBondContact O-CA 3.45Å; T47-R441 PolarHBondContact N-O 2.86Å; T47-R441 PolarHBondContact O-N 2.89Å; T47-F448 HydrophobicContact CG2-CE1 4.06Å; T47-F448 HydrophobicContact CG2-CZ 3.87Å; T47-F448 WeakPolarHBondContact O-CE1 3.45Å
48	F	98.4	Very high	97.7	Very high	15 Å²	15	57.5 Å²	57.5	7%	0.066	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.2	169.9	-73.8	-101.5	0	0	0	109.3	E20 A21 Y23 M46 V438 V440 A490	E20-F48 CarbonylContact C-O 3.58Å; E20-F48 WeakPolarHBondContact CA-O 3.46Å; A21-F48 HydrophobicContact CB-CB 4.42Å; A21-F48 PolarHBondContact N-O 2.89Å; A21-F48 PolarHBondContact O-N 2.88Å; Y23-F48 AromaticContact CD1-CE2 3.9Å; Y23-F48 HydrophobicContact CD1-CE2 3.9Å; Y23-F48 HydrophobicContact CG-CE2 4.19Å; M46-F48 HydrophobicContact CB-CD2 4.34Å; M46-F48 HydrophobicContact CB-CE2 3.94Å; M46-F48 HydrophobicContact SD-CE2 4.34Å; M46-F48 HydrophobicContact SD-CZ 4.5Å; F48-V438 HydrophobicContact CD1-CG1 4.29Å; F48-V440 HydrophobicContact CD1-CG1 4.39Å; F48-V440 HydrophobicContact CD1-CG2 3.57Å; F48-V440 HydrophobicContact CD2-CG1 4.42Å; F48-V440 HydrophobicContact CE1-CB 4.46Å; F48-V440 HydrophobicContact CE1-CG1 4.13Å; F48-V440 HydrophobicContact CE1-CG2 3.45Å; F48-V440 VanDerWaalsContact CE1-CG2 3.45Å; F48-V440 HydrophobicContact CE2-CG1 4.15Å; F48-V440 HydrophobicContact CG-CG2 4.34Å; F48-V440 HydrophobicContact CZ-CG1 4Å; F48-V440 HydrophobicContact CZ-CG2 4.15Å; F48-A490 HydrophobicContact CD2-CB 4.36Å; F48-A490 HydrophobicContact CE1-CB 4.34Å; F48-A490 HydrophobicContact CE2-CB 3.97Å; F48-A490 HydrophobicContact CZ-CB 3.97Å
49	R	98.1	Very high	97.8	Very high	72 Å²	72	54.7 Å²	54.7	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.5	172.8	177.6	-177.5	-73	163.7	-0.7	108.8	H18 I19 E20 V438 T439 F448	H18-R49 HydrophobicContact CB-CG 3.91Å; H18-R49 WeakPolarHBondContact CD2-CG 3.37Å; I19-R49 WeakPolarHBondContact O-CA 3.39Å; E20-R49 HydrophobicContact CG-CG 4.38Å; E20-R49 IonicContact OE1-CZ 3.27Å; E20-R49 VanDerWaalsContact OE1-CZ 3.27Å; E20-R49 IonicContact OE1-NE 2.95Å; E20-R49 PolarHBondContact OE1-NE 2.84Å; E20-R49 IonicContact OE1-NH2 2.75Å; E20-R49 PolarHBondContact OE1-NH2 2.9Å; R49-V438 WeakPolarHBondContact O-CA 3.47Å; R49-T439 PolarHBondContact N-O 2.83Å; R49-T439 PolarHBondContact O-N 2.81Å; R49-T439 PolarHBondContact O-OG1 3.48Å; R49-F448 HydrophobicContact CB-CD1 3.97Å; R49-F448 HydrophobicContact CB-CE1 3.56Å; R49-F448 HydrophobicContact CB-CZ 4.26Å
50	T	98.4	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119	178.5	-53.5	0	0	0	0	109.9	H18 I19 R52 L124 L434 R437 V438	H18-T50 CarbonylContact C-O 3.53Å; H18-T50 VanDerWaalsContact CA-O 3.28Å; H18-T50 WeakPolarHBondContact CA-O 3.18Å; I19-T50 PolarHBondContact N-O 2.85Å; I19-T50 PolarHBondContact O-N 2.86Å; T50-R52 PolarHBondContact O-N 2.55Å; T50-L124 HydrophobicContact CG2-CD2 4.48Å; T50-L434 HydrophobicContact CG2-CD1 4.47Å; T50-R437 WeakPolarHBondContact CA-O 3.39Å; T50-V438 HydrophobicContact CG2-CG2 4.04Å
51	E	98.1	Very high	97.9	Very high	69 Å²	69	47 Å²	47	32%	0.322	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.7	174.5	-173.4	-174.9	-179.2	0	0	110.7	R53 R437	E51-R53 HydrophobicContact CG-CB 4.44Å; E51-R437 HydrophobicContact CB-CB 3.98Å; E51-R437 HydrophobicContact CB-CG 4.07Å; E51-R437 PolarHBondContact N-O 2.81Å; E51-R437 PolarHBondContact O-NH1 2.87Å
52	R	96.7	Very high	97.9	Very high	102 Å²	102	42.2 Å²	42.2	39%	0.385	20%	0.2	S	C	.	.			trans	-83.9	-27.2	-175.8	-66.9	179.5	70.6	-169.9	-1	113.6	T15 T17 I19 T50 V54	T15-R52 WeakPolarHBondContact O-CD 3.19Å; T15-R52 PolarHBondContact O-NH1 3.14Å; T17-R52 PolarHBondContact O-N 3.5Å; I19-R52 HydrophobicContact CG1-CG 3.89Å; T50-R52 PolarHBondContact O-N 2.55Å; R52-V54 PolarHBondContact O-N 2.74Å
53	R	96.9	Very high	98	Very high	152 Å²	152	39.9 Å²	39.9	57%	0.574	19%	0.185	S	C	*	.			trans	-70	115	178.4	-178.9	-175.7	168	-152.9	-9.9	108.6	E51 D218 R437	E51-R53 HydrophobicContact CG-CB 4.44Å; R53-D218 IonicContact NH2-OD1 2.98Å; R53-D218 PolarHBondContact NH2-OD1 2.76Å; R53-D218 IonicContact NH2-OD2 3.2Å; R53-D218 PolarHBondContact NH2-OD2 3.2Å; R53-R437 VanDerWaalsContact O-CD 3.31Å; R53-R437 WeakPolarHBondContact O-CD 3.42Å
54	V	97.6	Very high	98.1	Very high	54 Å²	54	37.3 Å²	37.3	33%	0.327	17%	0.166	S	C	.	.			trans	-80.7	122.2	172.2	-179.7	0	0	0	0	108.2	R52 P125 V127	R52-V54 PolarHBondContact O-N 2.74Å; V54-P125 HydrophobicContact CG2-CB 3.78Å; V54-V127 HydrophobicContact CG1-CB 4.23Å; V54-V127 HydrophobicContact CG1-CG2 3.58Å
55	P	97.6	Very high	98.2	Very high	14 Å²	14	35 Å²	35	9%	0.091	15%	0.152	C	C	.	.			trans	-74.6	157.9	-178.9	30.1	-33.6	0	0	0	111.1	L57 D218 K219 E433	P55-L57 PolarHBondContact O-N 2.88Å; P55-D218 HydrophobicContact CB-CB 3.74Å; P55-K219 HydrophobicContact CB-CD 4.24Å; P55-K219 HydrophobicContact CB-CG 4.13Å; P55-K219 HydrophobicContact CG-CD 3.79Å; P55-K219 HydrophobicContact CG-CG 4.21Å; P55-E433 WeakPolarHBondContact CD-OE1 3.26Å; P55-E433 HydrophobicContact CG-CG 3.86Å; P55-E433 WeakPolarHBondContact CG-OE1 3.41Å
56	R	97.9	Very high	98.2	Very high	120 Å²	120	32 Å²	32	45%	0.453	14%	0.142	S	C	.	.			trans	-73	111.9	163.5	-167	178.3	173.3	-155.3	-6.9	108.6	S215 G216 V217 D218 K219	R56-S215 PolarHBondContact NH1-O 3.43Å; R56-S215 PolarHBondContact NH2-O 3.37Å; R56-S215 VanDerWaalsContact NH2-O 3.09Å; R56-G216 PolarHBondContact NH1-O 3.1Å; R56-V217 HydrophobicContact CG-CG1 4.25Å; R56-V217 WeakPolarHBondContact O-CB 3.35Å; R56-D218 PolarHBondContact N-OD2 3.32Å; R56-D218 PolarHBondContact O-N 3.18Å; R56-K219 PolarHBondContact O-N 2.94Å
57	L	98.8	Very high	98.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.2	-173.3	-178.5	63.2	0	0	0	111.8	P55 V59 V127 I132 V133 K219 I221 V429 E433	P55-L57 PolarHBondContact O-N 2.88Å; L57-V59 HydrophobicContact CD2-CG2 4.15Å; L57-V59 HydrophobicContact CG-CG2 4.13Å; L57-V127 HydrophobicContact CB-CG1 4.14Å; L57-V127 HydrophobicContact CB-CG2 4.08Å; L57-V127 HydrophobicContact CD2-CB 4.5Å; L57-V127 HydrophobicContact CD2-CG1 4.09Å; L57-V127 HydrophobicContact CD2-CG2 4.26Å; L57-I132 HydrophobicContact CD2-CD1 4.44Å; L57-I132 HydrophobicContact CD2-CG1 4.34Å; L57-V133 PolarHBondContact O-N 3.44Å; L57-K219 HydrophobicContact CD1-CB 4.2Å; L57-I221 HydrophobicContact CD1-CD1 3.89Å; L57-I221 HydrophobicContact CD1-CG1 3.97Å; L57-I221 HydrophobicContact CD2-CD1 4.43Å; L57-V429 HydrophobicContact CD2-CG2 4.44Å; L57-E433 HydrophobicContact CD1-CG 4.25Å; L57-E433 HydrophobicContact CD2-CB 4.23Å; L57-E433 HydrophobicContact CD2-CG 4.38Å
58	G	98.9	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.1	164.3	0	0	0	0	0	111.3	V133 K219 V220 I221	G58-V133 CarbonylContact C-O 3.57Å; G58-V133 WeakPolarHBondContact CA-O 3.29Å; G58-K219 PolarHBondContact N-O 3.22Å; G58-V220 WeakPolarHBondContact O-CA 3.07Å; G58-I221 PolarHBondContact O-N 3Å
59	V	98.9	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.4	175.1	176.5	0	0	0	0	108.7	L57 L61 I132 V133 F134 D135 I221 V429	L57-V59 HydrophobicContact CD2-CG2 4.15Å; L57-V59 HydrophobicContact CG-CG2 4.13Å; V59-L61 HydrophobicContact CG1-CD2 3.72Å; V59-L61 HydrophobicContact CG1-CG 4.19Å; V59-I132 HydrophobicContact CB-CG2 3.96Å; V59-I132 HydrophobicContact CG2-CG2 3.56Å; V59-V133 PolarHBondContact N-O 2.97Å; V59-F134 HydrophobicContact CB-CD1 3.92Å; V59-F134 HydrophobicContact CB-CE1 3.9Å; V59-F134 HydrophobicContact CG1-CD1 4.05Å; V59-F134 HydrophobicContact CG1-CE1 3.88Å; V59-F134 WeakPolarHBondContact O-CA 3.23Å; V59-D135 PolarHBondContact O-N 2.87Å; V59-D135 VanDerWaalsContact O-N 3.11Å; V59-I221 WeakPolarHBondContact CA-O 3.31Å; V59-V429 HydrophobicContact CG1-CG1 4.01Å; V59-V429 HydrophobicContact CG2-CB 3.99Å; V59-V429 HydrophobicContact CG2-CG1 4.05Å; V59-V429 HydrophobicContact CG2-CG2 3.94Å
60	M	98.9	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119	175	-59.2	-171.4	80.6	0	0	110.5	D135 W137 I208 F211 V220 I221 V222 L223	M60-D135 CarbonylContact C-O 3.44Å; M60-D135 VanDerWaalsContact CA-O 3.27Å; M60-D135 WeakPolarHBondContact CA-O 3.1Å; M60-D135 HydrophobicContact CE-CB 4.26Å; M60-D135 HydrophobicContact CG-CB 4.43Å; M60-W137 HydrophobicContact CB-CE3 4.4Å; M60-W137 HydrophobicContact CB-CH2 3.77Å; M60-W137 HydrophobicContact CB-CZ3 3.47Å; M60-W137 VanDerWaalsContact CB-CZ3 3.47Å; M60-W137 HydrophobicContact CE-CH2 3.34Å; M60-W137 HydrophobicContact CE-CZ2 3.39Å; M60-W137 HydrophobicContact CE-CZ3 3.98Å; M60-W137 HydrophobicContact CG-CH2 4.29Å; M60-W137 HydrophobicContact CG-CZ3 4.43Å; M60-W137 HydrophobicContact SD-CH2 3.54Å; M60-W137 VanDerWaalsContact SD-CH2 3.54Å; M60-W137 HydrophobicContact SD-CZ2 4.1Å; M60-W137 HydrophobicContact SD-CZ3 4.25Å; M60-I208 HydrophobicContact SD-CB 4.39Å; M60-I208 HydrophobicContact SD-CG1 3.94Å; M60-F211 HydrophobicContact CE-CB 3.74Å; M60-F211 HydrophobicContact CE-CD1 4.29Å; M60-F211 HydrophobicContact CE-CG 4.08Å; M60-F211 HydrophobicContact CG-CD1 3.41Å; M60-F211 VanDerWaalsContact CG-CD1 3.41Å; M60-F211 HydrophobicContact CG-CE1 3.66Å; M60-F211 HydrophobicContact CG-CG 4.08Å; M60-F211 HydrophobicContact SD-CB 3.73Å; M60-F211 HydrophobicContact SD-CD1 3.45Å; M60-F211 WeakPolarHBondContact SD-CD1 3.22Å; M60-F211 HydrophobicContact SD-CE1 4.31Å; M60-F211 HydrophobicContact SD-CG 3.82Å; M60-V220 HydrophobicContact CG-CG1 3.96Å; M60-V220 HydrophobicContact SD-CG1 4.16Å; M60-I221 PolarHBondContact N-O 2.78Å; M60-V222 HydrophobicContact CB-CG2 4.38Å; M60-V222 WeakPolarHBondContact O-CA 3.36Å; M60-L223 PolarHBondContact O-N 3.32Å
61	L	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.5	-176.1	-61.7	179	0	0	0	110.9	V59 W64 V72 F134 D135 G136 W137 L223 T225 I425	V59-L61 HydrophobicContact CG1-CD2 3.72Å; V59-L61 HydrophobicContact CG1-CG 4.19Å; L61-W64 HydrophobicContact CB-CB 4.05Å; L61-W64 HydrophobicContact CB-CG 4.24Å; L61-V72 HydrophobicContact CD1-CG1 3.73Å; L61-F134 HydrophobicContact CD1-CD1 3.92Å; L61-F134 HydrophobicContact CD1-CE1 4.2Å; L61-F134 HydrophobicContact CG-CD1 4.26Å; L61-D135 PolarHBondContact N-O 3.44Å; L61-G136 CarbonylContact O-C 3.43Å; L61-G136 VanDerWaalsContact O-CA 3.23Å; L61-G136 WeakPolarHBondContact O-CA 3.36Å; L61-W137 PolarHBondContact O-N 3.48Å; L61-L223 WeakPolarHBondContact CA-O 3.33Å; L61-L223 HydrophobicContact CD2-CB 3.98Å; L61-L223 HydrophobicContact CD2-CD2 3.94Å; L61-L223 HydrophobicContact CD2-CG 4.5Å; L61-T225 HydrophobicContact CB-CG2 4.32Å; L61-T225 HydrophobicContact CD2-CG2 4.48Å; L61-I425 HydrophobicContact CD2-CG2 4.31Å
62	V	98.9	Very high	98.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.2	164.7	-166.7	0	0	0	0	107.6	W137 V222 L223 W224 T225 A226 F262	V62-W137 HydrophobicContact CG2-CE3 4.07Å; V62-W137 HydrophobicContact CG2-CZ3 4.37Å; V62-V222 HydrophobicContact CG2-CG1 4.18Å; V62-L223 PolarHBondContact N-O 3.16Å; V62-W224 HydrophobicContact CB-CD2 4.28Å; V62-W224 HydrophobicContact CB-CE3 3.79Å; V62-W224 HydrophobicContact CB-CZ3 4.31Å; V62-W224 HydrophobicContact CG1-CD2 4.28Å; V62-W224 HydrophobicContact CG1-CE3 3.58Å; V62-W224 HydrophobicContact CG1-CH2 4.3Å; V62-W224 HydrophobicContact CG1-CZ3 3.58Å; V62-W224 HydrophobicContact CG2-CE3 4.11Å; V62-T225 CarbonylContact O-C 3.52Å; V62-T225 VanDerWaalsContact O-C 3.27Å; V62-T225 WeakPolarHBondContact O-CA 3.48Å; V62-T225 WeakPolarHBondContact O-CG2 3.34Å; V62-T225 PolarHBondContact O-N 3.39Å; V62-A226 HydrophobicContact CG1-CB 4.2Å; V62-A226 PolarHBondContact O-N 3.13Å; V62-F262 HydrophobicContact CG1-CD1 4.49Å; V62-F262 HydrophobicContact CG1-CD2 4.07Å; V62-F262 HydrophobicContact CG1-CE1 4.2Å; V62-F262 HydrophobicContact CG1-CE2 3.75Å; V62-F262 HydrophobicContact CG1-CG 4.43Å; V62-F262 HydrophobicContact CG1-CZ 3.82Å; V62-F262 HydrophobicContact CG2-CB 4.33Å; V62-F262 HydrophobicContact CG2-CD1 3.46Å; V62-F262 VanDerWaalsContact CG2-CD1 3.46Å; V62-F262 HydrophobicContact CG2-CD2 4.25Å; V62-F262 HydrophobicContact CG2-CE1 3.69Å; V62-F262 HydrophobicContact CG2-CE2 4.44Å; V62-F262 HydrophobicContact CG2-CG 3.77Å; V62-F262 HydrophobicContact CG2-CZ 4.18Å
63	G	98.6	Very high	98.5	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	35.4	-168.1	0	0	0	0	0	113.1	G65 G66 W137	G63-G65 VanDerWaalsContact C-N 3.27Å; G63-G65 PolarHBondContact O-N 2.99Å; G63-G66 PolarHBondContact O-N 3.37Å; G63-W137 WeakPolarHBondContact CA-O 3.33Å; G63-W137 PolarHBondContact N-O 3.16Å
64	W	98.8	Very high	98.6	Very high	5 Å²	5	13.2 Å²	13.2	2%	0.019	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.4	-175.2	-168.7	19.6	0	0	0	113.3	L61 G66 G69 T70 T73 F134 G136 W137 L144 L169 P171	L61-W64 HydrophobicContact CB-CB 4.05Å; L61-W64 HydrophobicContact CB-CG 4.24Å; W64-G66 PolarHBondContact O-N 2.77Å; W64-G69 CarbonylContact O-C 3.37Å; W64-G69 VanDerWaalsContact O-CA 3.24Å; W64-G69 WeakPolarHBondContact O-CA 3.4Å; W64-T70 PolarHBondContact O-N 2.81Å; W64-T70 VanDerWaalsContact O-N 3.13Å; W64-T73 HydrophobicContact CZ2-CG2 4.48Å; W64-T73 PolarHBondContact NE1-OG1 3.31Å; W64-F134 HydrophobicContact CZ2-CB 3.86Å; W64-G136 VanDerWaalsContact CE3-N 3.31Å; W64-W137 PolarHBondContact N-O 2.95Å; W64-L144 HydrophobicContact CD2-CD1 4.11Å; W64-L144 HydrophobicContact CD2-CD2 4.13Å; W64-L144 VanDerWaalsContact CE2-CD1 3.45Å; W64-L144 HydrophobicContact CG-CD2 4.12Å; W64-L144 HydrophobicContact CH2-CD1 4.24Å; W64-L144 HydrophobicContact CZ2-CD1 3.55Å; W64-L169 HydrophobicContact CH2-CB 3.94Å; W64-L169 HydrophobicContact CH2-CD2 4.27Å; W64-L169 HydrophobicContact CZ2-CB 4.26Å; W64-L169 HydrophobicContact CZ2-CD1 4.36Å; W64-P171 HydrophobicContact CE3-CB 4.45Å; W64-P171 HydrophobicContact CE3-CG 4.49Å
65	G	98.6	Very high	98.7	Very high	1 Å²	1	12 Å²	12	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.2	174.4	0	0	0	0	0	114.1	G63 D138 A147 R150	G63-G65 VanDerWaalsContact C-N 3.27Å; G63-G65 PolarHBondContact O-N 2.99Å; G65-D138 WeakPolarHBondContact CA-OD2 3.42Å; G65-D138 PolarHBondContact N-OD2 3.48Å; G65-A147 WeakPolarHBondContact O-CB 3.4Å; G65-R150 PolarHBondContact O-NH2 2.84Å
66	G	98.4	Very high	98.7	Very high	15 Å²	15	11.6 Å²	11.6	16%	0.155	6%	0.062	C	C	.	.	S	Bend	trans	-70.7	174.9	173.6	0	0	0	0	0	113	G63 W64 N68 G69 T70 D138	G63-G66 PolarHBondContact O-N 3.37Å; W64-G66 PolarHBondContact O-N 2.77Å; G66-N68 PolarHBondContact O-N 3.28Å; G66-G69 PolarHBondContact O-N 2.95Å; G66-T70 WeakPolarHBondContact O-CB 3.44Å; G66-T70 WeakPolarHBondContact O-CG2 3.26Å; G66-T70 PolarHBondContact O-N 2.94Å; G66-T70 PolarHBondContact O-OG1 3Å; G66-D138 PolarHBondContact N-OD2 3.15Å
67	N	98.7	Very high	98.8	Very high	23 Å²	23	7.6 Å²	7.6	12%	0.123	5%	0.049	C	C	.	.	H	α-helix	trans	-57.4	-48.8	178.4	-67.8	43.6	0	0	0	111.7	T70 T71 A151 V153 D389 S418	N67-T70 PolarHBondContact O-OG1 3.41Å; N67-T70 VanDerWaalsContact O-OG1 3.05Å; N67-T71 WeakPolarHBondContact O-CB 3.49Å; N67-T71 PolarHBondContact O-N 2.95Å; N67-T71 PolarHBondContact O-OG1 3.23Å; N67-A151 HydrophobicContact CB-CB 4.19Å; N67-A151 PolarHBondContact ND2-O 3.13Å; N67-V153 HydrophobicContact CB-CG2 4.5Å; N67-D389 PolarHBondContact ND2-OD1 3.43Å; N67-S418 WeakPolarHBondContact CB-OG 3.43Å
68	N	98.7	Very high	98.8	Very high	31 Å²	31	7.7 Å²	7.7	17%	0.166	5%	0.05	C	C	.	.	H	α-helix	trans	-65.2	-47.9	178.4	-65.7	-16.9	0	0	0	112.5	G66 T70 T71 V72 T225 S418 I425	G66-N68 PolarHBondContact O-N 3.28Å; N68-T70 PolarHBondContact O-N 3.19Å; N68-T71 PolarHBondContact O-N 2.9Å; N68-V72 WeakPolarHBondContact O-CG1 3.37Å; N68-V72 PolarHBondContact O-N 2.85Å; N68-T225 VanDerWaalsContact CB-OG1 3.26Å; N68-T225 WeakPolarHBondContact CB-OG1 3.27Å; N68-T225 PolarHBondContact ND2-OG1 2.79Å; N68-T225 VanDerWaalsContact ND2-OG1 3.13Å; N68-S418 PolarHBondContact OD1-OG 3.36Å; N68-I425 HydrophobicContact CB-CD1 3.84Å
69	G	98.7	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-41.4	-175.9	0	0	0	0	0	112.9	W64 G66 V72 T73	W64-G69 CarbonylContact O-C 3.37Å; W64-G69 VanDerWaalsContact O-CA 3.24Å; W64-G69 WeakPolarHBondContact O-CA 3.4Å; G66-G69 PolarHBondContact O-N 2.95Å; G69-V72 WeakPolarHBondContact O-CG1 3.37Å; G69-T73 WeakPolarHBondContact O-CB 3.49Å; G69-T73 PolarHBondContact O-N 2.83Å; G69-T73 PolarHBondContact O-OG1 2.9Å
70	T	98.7	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-42.8	173.8	53.5	0	0	0	0	111.7	W64 G66 N67 N68 T73 A74 L144 A147 M166	W64-T70 PolarHBondContact O-N 2.81Å; W64-T70 VanDerWaalsContact O-N 3.13Å; G66-T70 WeakPolarHBondContact O-CB 3.44Å; G66-T70 WeakPolarHBondContact O-CG2 3.26Å; G66-T70 PolarHBondContact O-N 2.94Å; G66-T70 PolarHBondContact O-OG1 3Å; N67-T70 PolarHBondContact O-OG1 3.41Å; N67-T70 VanDerWaalsContact O-OG1 3.05Å; N68-T70 PolarHBondContact O-N 3.19Å; T70-T73 PolarHBondContact O-N 3.39Å; T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.44Å; T70-A74 PolarHBondContact O-N 2.91Å; T70-L144 HydrophobicContact CG2-CB 4.45Å; T70-L144 HydrophobicContact CG2-CD2 3.91Å; T70-A147 HydrophobicContact CG2-CB 3.41Å; T70-A147 VanDerWaalsContact CG2-CB 3.41Å; T70-M166 WeakPolarHBondContact O-CE 3.17Å
71	T	98.9	Very high	98.7	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-45.1	-178	-59.1	0	0	0	0	112.4	N67 N68 T73 A74 A75 V153 L154 L419 S422	N67-T71 WeakPolarHBondContact O-CB 3.49Å; N67-T71 PolarHBondContact O-N 2.95Å; N67-T71 PolarHBondContact O-OG1 3.23Å; N68-T71 PolarHBondContact O-N 2.9Å; T71-T73 VanDerWaalsContact C-N 3.34Å; T71-T73 PolarHBondContact O-N 3.15Å; T71-A74 PolarHBondContact O-N 2.82Å; T71-A75 VanDerWaalsContact O-CB 3.28Å; T71-A75 WeakPolarHBondContact O-CB 3.45Å; T71-A75 PolarHBondContact O-N 3.09Å; T71-V153 HydrophobicContact CG2-CG1 3.98Å; T71-L154 HydrophobicContact CG2-CD2 4.41Å; T71-L419 HydrophobicContact CG2-CD2 3.99Å; T71-S422 WeakPolarHBondContact CB-OG 3.32Å; T71-S422 VanDerWaalsContact CG2-OG 3.23Å; T71-S422 WeakPolarHBondContact CG2-OG 3.5Å
72	V	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-39.4	178.6	71.2	0	0	0	0	111.6	L61 N68 G69 A75 V76 F134 S422 I425 L426	L61-V72 HydrophobicContact CD1-CG1 3.73Å; N68-V72 WeakPolarHBondContact O-CG1 3.37Å; N68-V72 PolarHBondContact O-N 2.85Å; G69-V72 WeakPolarHBondContact O-CG1 3.37Å; V72-A75 PolarHBondContact O-N 2.68Å; V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 2.98Å; V72-F134 HydrophobicContact CG1-CE1 4.26Å; V72-F134 HydrophobicContact CG2-CZ 4.16Å; V72-S422 PolarHBondContact N-OG 3.23Å; V72-I425 HydrophobicContact CG1-CG2 4.42Å; V72-I425 HydrophobicContact CG2-CB 4.43Å; V72-I425 HydrophobicContact CG2-CG2 4.17Å; V72-L426 HydrophobicContact CG2-CD1 4.35Å; V72-L426 HydrophobicContact CG2-CD2 3.65Å; V72-L426 HydrophobicContact CG2-CG 3.74Å
73	T	98.9	Very high	98.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-46.9	176.7	-52.2	0	0	0	0	110.9	W64 G69 T70 T71 A75 V76 L77 L144 M166 L169	W64-T73 HydrophobicContact CZ2-CG2 4.48Å; W64-T73 PolarHBondContact NE1-OG1 3.31Å; G69-T73 WeakPolarHBondContact O-CB 3.49Å; G69-T73 PolarHBondContact O-N 2.83Å; G69-T73 PolarHBondContact O-OG1 2.9Å; T70-T73 PolarHBondContact O-N 3.39Å; T71-T73 VanDerWaalsContact C-N 3.34Å; T71-T73 PolarHBondContact O-N 3.15Å; T73-A75 PolarHBondContact O-N 2.84Å; T73-V76 PolarHBondContact O-N 3.37Å; T73-L77 HydrophobicContact CG2-CD1 4.37Å; T73-L77 PolarHBondContact O-N 3.44Å; T73-L144 HydrophobicContact CG2-CD1 3.78Å; T73-M166 HydrophobicContact CG2-CE 4.49Å; T73-M166 HydrophobicContact CG2-SD 3.98Å; T73-L169 HydrophobicContact CG2-CD1 3.78Å
74	A	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.8	0	0	0	0	0	112.5	T70 T71 V76 L77 A78 M148 L154 L162 M166	T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.44Å; T70-A74 PolarHBondContact O-N 2.91Å; T71-A74 PolarHBondContact O-N 2.82Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.77Å; A74-L77 PolarHBondContact O-N 3.35Å; A74-A78 VanDerWaalsContact O-CB 3.3Å; A74-A78 WeakPolarHBondContact O-CB 3.36Å; A74-A78 PolarHBondContact O-N 3.3Å; A74-M148 HydrophobicContact CB-SD 4.24Å; A74-L154 HydrophobicContact CB-CD1 3.49Å; A74-L154 VanDerWaalsContact CB-CD1 3.49Å; A74-L162 HydrophobicContact CB-CD1 3.75Å; A74-M166 HydrophobicContact CB-CE 3.93Å; A74-M166 HydrophobicContact CB-SD 4.27Å
75	A	98.8	Very high	98.7	Very high	27 Å²	27	25.7 Å²	25.7	22%	0.223	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-41.4	178.8	0	0	0	0	0	111.5	T71 V72 T73 N79	T71-A75 VanDerWaalsContact O-CB 3.28Å; T71-A75 WeakPolarHBondContact O-CB 3.45Å; T71-A75 PolarHBondContact O-N 3.09Å; V72-A75 PolarHBondContact O-N 2.68Å; T73-A75 PolarHBondContact O-N 2.84Å; A75-N79 WeakPolarHBondContact O-CB 3.3Å; A75-N79 PolarHBondContact O-N 3.31Å; A75-N79 VanDerWaalsContact O-N 3.09Å; A75-N79 PolarHBondContact O-ND2 2.96Å
76	V	98.8	Very high	98.6	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-44.9	176.9	168.7	0	0	0	0	111.8	V72 T73 A74 N79 K80 Y96 P129 F134 L426	V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 2.98Å; T73-V76 PolarHBondContact O-N 3.37Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.77Å; V76-N79 PolarHBondContact O-N 3.48Å; V76-K80 VanDerWaalsContact O-CB 3.3Å; V76-K80 WeakPolarHBondContact O-CB 3.48Å; V76-K80 PolarHBondContact O-N 3.23Å; V76-Y96 WeakPolarHBondContact CA-OH 3.39Å; V76-Y96 HydrophobicContact CG2-CE1 4.1Å; V76-P129 VanDerWaalsContact CG1-O 3.24Å; V76-P129 WeakPolarHBondContact CG1-O 3.29Å; V76-P129 HydrophobicContact CG2-CB 4.27Å; V76-F134 HydrophobicContact CB-CE2 4.02Å; V76-F134 HydrophobicContact CG1-CE2 4.13Å; V76-F134 HydrophobicContact CG2-CE2 3.83Å; V76-F134 HydrophobicContact CG2-CZ 4.27Å; V76-L426 HydrophobicContact CG2-CD1 4.4Å; V76-L426 HydrophobicContact CG2-CD2 3.94Å
77	L	98.8	Very high	98.5	Very high	37 Å²	37	36 Å²	36	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-44.8	175.4	-74.7	171.4	0	0	0	112.3	T73 A74 N79 K80 L81 L162 M166 L169	T73-L77 HydrophobicContact CG2-CD1 4.37Å; T73-L77 PolarHBondContact O-N 3.44Å; A74-L77 PolarHBondContact O-N 3.35Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.17Å; L77-K80 PolarHBondContact O-N 3.35Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.32Å; L77-L162 HydrophobicContact CB-CD2 3.93Å; L77-M166 HydrophobicContact CD1-CG 4.24Å; L77-M166 HydrophobicContact CD1-SD 3.6Å; L77-M166 VanDerWaalsContact CD1-SD 3.6Å; L77-L169 HydrophobicContact CD1-CD1 4.31Å
78	A	98.8	Very high	98.4	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-42.2	179.6	0	0	0	0	0	112.2	A74 G82 L83 A94 L158 L162	A74-A78 VanDerWaalsContact O-CB 3.3Å; A74-A78 WeakPolarHBondContact O-CB 3.36Å; A74-A78 PolarHBondContact O-N 3.3Å; A78-G82 PolarHBondContact O-N 3.23Å; A78-G82 VanDerWaalsContact O-N 3.1Å; A78-L83 HydrophobicContact CB-CB 4.48Å; A78-L83 HydrophobicContact CB-CD1 4.19Å; A78-L83 PolarHBondContact O-N 2.87Å; A78-A94 HydrophobicContact CB-CB 3.92Å; A78-A94 WeakPolarHBondContact O-CB 3.35Å; A78-L158 HydrophobicContact CB-CD1 4.17Å; A78-L162 HydrophobicContact CB-CD1 4.36Å; A78-L162 HydrophobicContact CB-CD2 4.23Å
79	N	98.8	Very high	98.3	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.16	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-41.6	176.2	-83.6	-85.1	0	0	0	111.9	A75 V76 L77 L81 G82 A94 N95 Y96 N130	A75-N79 WeakPolarHBondContact O-CB 3.3Å; A75-N79 PolarHBondContact O-N 3.31Å; A75-N79 VanDerWaalsContact O-N 3.09Å; A75-N79 PolarHBondContact O-ND2 2.96Å; V76-N79 PolarHBondContact O-N 3.48Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.17Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-L81 PolarHBondContact O-N 2.95Å; N79-G82 PolarHBondContact O-N 3.26Å; N79-G82 VanDerWaalsContact O-N 3.16Å; N79-A94 HydrophobicContact CB-CB 4.4Å; N79-A94 VanDerWaalsContact OD1-C 3.28Å; N79-A94 PolarHBondContact OD1-O 2.85Å; N79-N95 PolarHBondContact ND2-N 2.85Å; N79-N95 PolarHBondContact ND2-O 2.63Å; N79-N95 WeakPolarHBondContact OD1-CA 3.46Å; N79-N95 PolarHBondContact OD1-N 2.78Å; N79-N95 VanDerWaalsContact OD1-N 3.13Å; N79-Y96 HydrophobicContact CB-CE1 4.36Å; N79-Y96 HydrophobicContact CB-CE2 3.66Å; N79-Y96 WeakPolarHBondContact CB-OH 3.48Å; N79-Y96 VanDerWaalsContact CG-CE2 3.48Å; N79-Y96 VanDerWaalsContact CG-CZ 3.49Å; N79-N130 WeakPolarHBondContact CB-OD1 3.31Å
80	K	98.3	Very high	98.2	Very high	131 Å²	131	50.5 Å²	50.5	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-63	-39.6	177.5	-174.4	172.7	-172.3	159.1	0	112.7	V76 L77 G82 N130	V76-K80 VanDerWaalsContact O-CB 3.3Å; V76-K80 WeakPolarHBondContact O-CB 3.48Å; V76-K80 PolarHBondContact O-N 3.23Å; L77-K80 PolarHBondContact O-N 3.35Å; K80-G82 VanDerWaalsContact C-N 3.28Å; K80-N130 HydrophobicContact CB-CB 4.4Å; K80-N130 PolarHBondContact NZ-O 3.19Å
81	L	98.5	Very high	98.1	Very high	70 Å²	70	56.6 Å²	56.6	37%	0.366	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.2	177.4	-66.1	171	0	0	0	112.9	L77 N79 L83 Y165	L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.32Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-L81 PolarHBondContact O-N 2.95Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 HydrophobicContact CB-CD1 4.39Å; L81-L83 HydrophobicContact CB-CD2 3.67Å; L81-L83 HydrophobicContact CB-CG 3.73Å; L81-L83 HydrophobicContact CD1-CD1 4.31Å; L81-L83 HydrophobicContact CD1-CD2 4.46Å; L81-L83 PolarHBondContact O-N 2.8Å; L81-Y165 HydrophobicContact CD1-CD1 4.4Å; L81-Y165 HydrophobicContact CD1-CD2 3.87Å; L81-Y165 HydrophobicContact CD1-CE1 4.14Å; L81-Y165 HydrophobicContact CD1-CE2 3.59Å; L81-Y165 HydrophobicContact CD1-CG 4.26Å; L81-Y165 HydrophobicContact CD2-CE1 4.32Å
82	G	98.3	Very high	98.1	Very high	47 Å²	47	60.8 Å²	60.8	49%	0.485	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	31.1	-179.4	0	0	0	0	0	113.7	A78 N79 K80	A78-G82 PolarHBondContact O-N 3.23Å; A78-G82 VanDerWaalsContact O-N 3.1Å; N79-G82 PolarHBondContact O-N 3.26Å; N79-G82 VanDerWaalsContact O-N 3.16Å; K80-G82 VanDerWaalsContact C-N 3.28Å
83	L	98.6	Very high	98.1	Very high	26 Å²	26	67.7 Å²	67.7	14%	0.136	34%	0.34	C	S	.	.			trans	-66.8	145.2	-170.5	-58.1	-175.3	0	0	0	112.8	A78 L81 A94 L158 Q161 L162	A78-L83 HydrophobicContact CB-CB 4.48Å; A78-L83 HydrophobicContact CB-CD1 4.19Å; A78-L83 PolarHBondContact O-N 2.87Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 HydrophobicContact CB-CD1 4.39Å; L81-L83 HydrophobicContact CB-CD2 3.67Å; L81-L83 HydrophobicContact CB-CG 3.73Å; L81-L83 HydrophobicContact CD1-CD1 4.31Å; L81-L83 HydrophobicContact CD1-CD2 4.46Å; L81-L83 PolarHBondContact O-N 2.8Å; L83-A94 PolarHBondContact O-N 2.9Å; L83-L158 HydrophobicContact CB-CD1 4.49Å; L83-L158 HydrophobicContact CD1-CD1 4.04Å; L83-Q161 HydrophobicContact CD1-CB 4.17Å; L83-L162 HydrophobicContact CD1-CD2 3.68Å; L83-L162 HydrophobicContact CD1-CG 4.1Å
84	T	98.6	Very high	98.1	Very high	52 Å²	52	68.1 Å²	68.1	32%	0.319	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.4	162.9	62.7	0	0	0	0	109.5	E91 K92 K93 Q161	T84-E91 PolarHBondContact OG1-OE2 2.88Å; T84-K92 CarbonylContact C-O 3.57Å; T84-K92 WeakPolarHBondContact CA-O 3.46Å; T84-K92 VanDerWaalsContact CB-O 3.22Å; T84-K92 WeakPolarHBondContact CB-O 3.43Å; T84-K93 HydrophobicContact CG2-CB 4.05Å; T84-K93 HydrophobicContact CG2-CG 4.04Å; T84-Q161 PolarHBondContact O-NE2 2.96Å; T84-Q161 PolarHBondContact O-OE1 2.75Å
85	W	98.4	Very high	98.1	Very high	32 Å²	32	71.2 Å²	71.2	12%	0.121	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.4	176.4	64.7	101.2	0	0	0	110.5	E91 K92 A94 D155 L158	W85-E91 CarbonylContact O-C 3.47Å; W85-E91 WeakPolarHBondContact O-CA 3.4Å; W85-K92 HydrophobicContact CD2-CB 3.99Å; W85-K92 HydrophobicContact CE3-CB 4.5Å; W85-K92 HydrophobicContact CG-CB 4.47Å; W85-K92 HydrophobicContact CH2-CB 4.28Å; W85-K92 HydrophobicContact CZ2-CB 3.74Å; W85-K92 PolarHBondContact N-O 2.94Å; W85-K92 PolarHBondContact O-N 3.4Å; W85-A94 HydrophobicContact CZ3-CB 4.15Å; W85-D155 PolarHBondContact NE1-OD2 2.85Å; W85-L158 HydrophobicContact CB-CB 4.31Å; W85-L158 HydrophobicContact CD2-CB 3.96Å; W85-L158 HydrophobicContact CD2-CD1 4.22Å; W85-L158 HydrophobicContact CD2-CD2 4.09Å; W85-L158 HydrophobicContact CD2-CG 4.31Å; W85-L158 HydrophobicContact CE3-CB 4.4Å; W85-L158 HydrophobicContact CE3-CD1 3.79Å; W85-L158 HydrophobicContact CE3-CD2 4.07Å; W85-L158 HydrophobicContact CE3-CG 4.3Å; W85-L158 HydrophobicContact CG-CB 3.9Å; W85-L158 HydrophobicContact CH2-CD2 3.88Å; W85-L158 HydrophobicContact CZ2-CD2 3.89Å; W85-L158 HydrophobicContact CZ3-CD1 4.13Å; W85-L158 HydrophobicContact CZ3-CD2 3.96Å
86	R	97.4	Very high	98.1	Very high	204 Å²	204	71 Å²	71	77%	0.77	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.5	175.7	-70.1	-173.5	175	-169.1	-1	110.2	S157	R86-S157 PolarHBondContact O-OG 3.28Å
87	T	96.5	Very high	98	Very high	29 Å²	29	78.9 Å²	78.9	18%	0.178	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	171.6	168	70	0	0	0	0	109	N89 G90 K92 D155	T87-N89 PolarHBondContact O-N 3.32Å; T87-N89 PolarHBondContact OG1-N 2.87Å; T87-G90 PolarHBondContact N-O 3.37Å; T87-G90 PolarHBondContact O-N 3.06Å; T87-G90 VanDerWaalsContact O-N 3.09Å; T87-G90 PolarHBondContact OG1-O 3.49Å; T87-K92 HydrophobicContact CG2-CB 4.49Å; T87-K92 HydrophobicContact CG2-CG 3.55Å; T87-D155 VanDerWaalsContact CG2-OD2 3.29Å; T87-D155 WeakPolarHBondContact CG2-OD2 3.01Å
88	K	96.1	Very high	98	Very high	201 Å²	201	79.3 Å²	79.3	87%	0.874	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.6	170.9	66.9	179.1	-177.2	-177.4	0	113.6
89	N	95.9	Very high	98	Very high	121 Å²	121	79.3 Å²	79.3	65%	0.647	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	22.3	-178.8	-62.2	-28.4	0	0	0	112.4	T87	T87-N89 PolarHBondContact O-N 3.32Å; T87-N89 PolarHBondContact OG1-N 2.87Å
90	G	96.8	Very high	97.9	Very high	37 Å²	37	78.5 Å²	78.5	38%	0.381	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	-172.9	-179.2	0	0	0	0	0	114	T87	T87-G90 PolarHBondContact N-O 3.37Å; T87-G90 PolarHBondContact O-N 3.06Å; T87-G90 VanDerWaalsContact O-N 3.09Å; T87-G90 PolarHBondContact OG1-O 3.49Å
91	E	97.9	Very high	97.9	Very high	128 Å²	128	72.3 Å²	72.3	60%	0.598	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.2	179.3	-172.3	173.1	76.3	0	0	111.4	T84 W85	T84-E91 PolarHBondContact OG1-OE2 2.88Å; W85-E91 CarbonylContact O-C 3.47Å; W85-E91 WeakPolarHBondContact O-CA 3.4Å
92	K	98.3	Very high	97.8	Very high	92 Å²	92	70 Å²	70	40%	0.4	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.8	173.1	-59.4	-59.5	179.3	-169.9	0	109.1	T84 W85 T87	T84-K92 CarbonylContact C-O 3.57Å; T84-K92 WeakPolarHBondContact CA-O 3.46Å; T84-K92 VanDerWaalsContact CB-O 3.22Å; T84-K92 WeakPolarHBondContact CB-O 3.43Å; W85-K92 HydrophobicContact CD2-CB 3.99Å; W85-K92 HydrophobicContact CE3-CB 4.5Å; W85-K92 HydrophobicContact CG-CB 4.47Å; W85-K92 HydrophobicContact CH2-CB 4.28Å; W85-K92 HydrophobicContact CZ2-CB 3.74Å; W85-K92 PolarHBondContact N-O 2.94Å; W85-K92 PolarHBondContact O-N 3.4Å; T87-K92 HydrophobicContact CG2-CB 4.49Å; T87-K92 HydrophobicContact CG2-CG 3.55Å
93	K	98.5	Very high	97.8	Very high	144 Å²	144	70.2 Å²	70.2	63%	0.626	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.3	177	-176.2	176.1	179.2	176.9	0	109.5	T84 N95	T84-K93 HydrophobicContact CG2-CB 4.05Å; T84-K93 HydrophobicContact CG2-CG 4.04Å; K93-N95 PolarHBondContact O-N 2.99Å; K93-N95 PolarHBondContact O-ND2 2.78Å
94	A	98.6	Very high	97.8	Very high	13 Å²	13	70 Å²	70	11%	0.107	35%	0.351	C	S	.	.			trans	-55.1	137	174.2	0	0	0	0	0	111	A78 N79 L83 W85	A78-A94 HydrophobicContact CB-CB 3.92Å; A78-A94 WeakPolarHBondContact O-CB 3.35Å; N79-A94 HydrophobicContact CB-CB 4.4Å; N79-A94 VanDerWaalsContact OD1-C 3.28Å; N79-A94 PolarHBondContact OD1-O 2.85Å; L83-A94 PolarHBondContact O-N 2.9Å; W85-A94 HydrophobicContact CZ3-CB 4.15Å
95	N	98.6	Very high	97.7	Very high	65 Å²	65	70.6 Å²	70.6	35%	0.348	36%	0.355	S	S	.	.			trans	-154.3	179.1	179.6	61.8	72.2	0	0	0	110.1	N79 K93 Y97	N79-N95 PolarHBondContact ND2-N 2.85Å; N79-N95 PolarHBondContact ND2-O 2.63Å; N79-N95 WeakPolarHBondContact OD1-CA 3.46Å; N79-N95 PolarHBondContact OD1-N 2.78Å; N79-N95 VanDerWaalsContact OD1-N 3.13Å; K93-N95 PolarHBondContact O-N 2.99Å; K93-N95 PolarHBondContact O-ND2 2.78Å; N95-Y97 HydrophobicContact CB-CD1 4.29Å; N95-Y97 HydrophobicContact CB-CE1 4.27Å; N95-Y97 HydrophobicContact CB-CE2 4.5Å; N95-Y97 HydrophobicContact CB-CG 4.41Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.37Å; N95-Y97 VanDerWaalsContact OD1-CD2 3.23Å; N95-Y97 WeakPolarHBondContact OD1-CD2 3.44Å; N95-Y97 PolarHBondContact OD1-N 3.24Å
96	Y	98.5	Very high	97.5	Very high	22 Å²	22	69.2 Å²	69.2	9%	0.086	35%	0.35	C	S	.	.			trans	-118.6	35.9	176	-67.5	-65.7	0	0	0	112.4	V76 N79 S99 Q102 P129 N130 L426	V76-Y96 WeakPolarHBondContact CA-OH 3.39Å; V76-Y96 HydrophobicContact CG2-CE1 4.1Å; N79-Y96 HydrophobicContact CB-CE1 4.36Å; N79-Y96 HydrophobicContact CB-CE2 3.66Å; N79-Y96 WeakPolarHBondContact CB-OH 3.48Å; N79-Y96 VanDerWaalsContact CG-CE2 3.48Å; N79-Y96 VanDerWaalsContact CG-CZ 3.49Å; Y96-S99 WeakPolarHBondContact O-CB 3.5Å; Y96-S99 PolarHBondContact O-N 3.16Å; Y96-Q102 HydrophobicContact CG-CB 4.41Å; Y96-Q102 HydrophobicContact CG-CG 4.49Å; Y96-P129 HydrophobicContact CD1-CB 4.48Å; Y96-P129 HydrophobicContact CD2-CG 4.32Å; Y96-P129 HydrophobicContact CE1-CB 3.8Å; Y96-P129 HydrophobicContact CE1-CG 4.31Å; Y96-P129 HydrophobicContact CE2-CB 3.92Å; Y96-P129 HydrophobicContact CE2-CG 4.07Å; Y96-P129 VanDerWaalsContact CZ-CB 3.47Å; Y96-P129 WeakPolarHBondContact OH-CB 3.11Å; Y96-N130 PolarHBondContact OH-OD1 3.01Å; Y96-L426 HydrophobicContact CD1-CD1 3.62Å; Y96-L426 HydrophobicContact CE1-CD1 3.66Å
97	Y	98.6	Very high	97.4	Very high	173 Å²	173	60.3 Å²	60.3	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	143.1	176.5	-64.2	-19.9	0	0	0	111.4	N95 A103 P423	N95-Y97 HydrophobicContact CB-CD1 4.29Å; N95-Y97 HydrophobicContact CB-CE1 4.27Å; N95-Y97 HydrophobicContact CB-CE2 4.5Å; N95-Y97 HydrophobicContact CB-CG 4.41Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.37Å; N95-Y97 VanDerWaalsContact OD1-CD2 3.23Å; N95-Y97 WeakPolarHBondContact OD1-CD2 3.44Å; N95-Y97 PolarHBondContact OD1-N 3.24Å; Y97-A103 HydrophobicContact CD1-CB 4.17Å; Y97-P423 WeakPolarHBondContact O-CG 3.47Å
98	G	97.3	Very high	97.2	Very high	45 Å²	45	61.1 Å²	61.1	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-17.4	-173.5	0	0	0	0	0	114.6
99	S	98.6	Very high	96.9	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	29%	0.292	C	S	.	.			trans	-79	129.1	171.7	158.2	0	0	0	0	110.6	Y96 L101 Q102 A103 P423 D427	Y96-S99 WeakPolarHBondContact O-CB 3.5Å; Y96-S99 PolarHBondContact O-N 3.16Å; S99-L101 PolarHBondContact OG-N 3.29Å; S99-Q102 WeakPolarHBondContact OG-CB 3.37Å; S99-Q102 WeakPolarHBondContact OG-CG 3.38Å; S99-Q102 PolarHBondContact OG-N 3.4Å; S99-A103 WeakPolarHBondContact O-CA 3.41Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.28Å; S99-P423 VanDerWaalsContact N-CB 3.34Å; S99-D427 VanDerWaalsContact CA-OD2 3.3Å; S99-D427 WeakPolarHBondContact CA-OD2 3.45Å; S99-D427 WeakPolarHBondContact CB-OD1 3.24Å; S99-D427 PolarHBondContact OG-OD1 3.08Å
100	L	97.6	Very high	96.5	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-50.2	171	177.1	72.6	0	0	0	110	S104 F120 D427 F460 R481 I484	L100-S104 WeakPolarHBondContact CD1-OG 3.37Å; L100-S104 WeakPolarHBondContact O-CB 3.25Å; L100-S104 PolarHBondContact O-N 2.93Å; L100-S104 PolarHBondContact O-OG 3.48Å; L100-F120 HydrophobicContact CD1-CD2 4.2Å; L100-F120 HydrophobicContact CD1-CE2 4.14Å; L100-F120 HydrophobicContact CD2-CE2 4.45Å; L100-F120 HydrophobicContact CD2-CZ 4.35Å; L100-F120 HydrophobicContact CG-CD2 4.29Å; L100-F120 HydrophobicContact CG-CE2 4.31Å; L100-D427 PolarHBondContact N-OD1 2.99Å; L100-D427 PolarHBondContact N-OD2 3.44Å; L100-F460 HydrophobicContact CB-CE1 3.97Å; L100-F460 HydrophobicContact CD1-CE1 4.02Å; L100-F460 HydrophobicContact CD1-CZ 4Å; L100-F460 HydrophobicContact CD2-CD1 3.82Å; L100-F460 HydrophobicContact CD2-CE1 3.7Å; L100-F460 HydrophobicContact CD2-CZ 4.33Å; L100-F460 HydrophobicContact CG-CE1 4.1Å; L100-R481 HydrophobicContact CD1-CG 4.48Å; L100-I484 HydrophobicContact CD2-CD1 4.11Å
101	L	97.9	Very high	95.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-72.7	-35.8	-170.8	-59.4	176.8	0	0	0	111.8	S99 F120 R121 M126 D427 I430 L431	S99-L101 PolarHBondContact OG-N 3.29Å; L101-F120 HydrophobicContact CD2-CD1 3.56Å; L101-F120 HydrophobicContact CD2-CE1 3.91Å; L101-F120 HydrophobicContact CD2-CG 4.36Å; L101-R121 VanDerWaalsContact O-CB 3.29Å; L101-R121 WeakPolarHBondContact O-CB 3.47Å; L101-R121 PolarHBondContact O-N 3.1Å; L101-R121 VanDerWaalsContact O-N 3.08Å; L101-M126 HydrophobicContact CB-SD 4.18Å; L101-M126 HydrophobicContact CD1-SD 3.82Å; L101-M126 HydrophobicContact CD2-CE 4.33Å; L101-M126 HydrophobicContact CD2-SD 4.32Å; L101-M126 HydrophobicContact CG-SD 4.33Å; L101-D427 WeakPolarHBondContact CB-OD1 3.3Å; L101-D427 HydrophobicContact CD1-CB 4.36Å; L101-D427 HydrophobicContact CG-CB 4.47Å; L101-D427 WeakPolarHBondContact CG-OD1 3.44Å; L101-D427 PolarHBondContact N-OD1 3.36Å; L101-D427 VanDerWaalsContact N-OD1 3.12Å; L101-I430 HydrophobicContact CD1-CB 3.89Å; L101-I430 HydrophobicContact CD1-CG2 3.63Å; L101-L431 HydrophobicContact CD1-CB 4.37Å
102	Q	97.6	Very high	94.9	Very high	21 Å²	21	49.4 Å²	49.4	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-95	-25.1	-172.8	-57	-58	-44	0	0	114.5	Y96 S99 P129	Y96-Q102 HydrophobicContact CG-CB 4.41Å; Y96-Q102 HydrophobicContact CG-CG 4.49Å; S99-Q102 WeakPolarHBondContact OG-CB 3.37Å; S99-Q102 WeakPolarHBondContact OG-CG 3.38Å; S99-Q102 PolarHBondContact OG-N 3.4Å; Q102-P129 HydrophobicContact CG-CG 3.72Å
103	A	97.5	Very high	94.2	Very high	52 Å²	52	54.7 Å²	54.7	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-126.8	7.2	-172.2	0	0	0	0	0	114.5	Y97 S99	Y97-A103 HydrophobicContact CD1-CB 4.17Å; S99-A103 WeakPolarHBondContact O-CA 3.41Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.28Å
104	S	97.7	Very high	93.5	Very high	22 Å²	22	49.6 Å²	49.6	15%	0.154	30%	0.298	C	S	.	.			trans	-114.8	169.8	172.4	88.5	0	0	0	0	112.6	L100 F120	L100-S104 WeakPolarHBondContact CD1-OG 3.37Å; L100-S104 WeakPolarHBondContact O-CB 3.25Å; L100-S104 PolarHBondContact O-N 2.93Å; L100-S104 PolarHBondContact O-OG 3.48Å; S104-F120 PolarHBondContact O-N 2.86Å; S104-F120 WeakPolarHBondContact OG-CD2 3.36Å
105	T	97	Very high	93.1	Very high	65 Å²	65	54.4 Å²	54.4	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	163.3	179.8	60.1	0	0	0	0	112.1	V118 R481	T105-V118 CarbonylContact C-O 3.57Å; T105-V118 WeakPolarHBondContact CA-O 3.43Å; T105-V118 VanDerWaalsContact CB-O 3.23Å; T105-V118 WeakPolarHBondContact CB-O 3.41Å; T105-R481 PolarHBondContact O-NH2 3.3Å
106	V	95.6	Very high	92.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.8	171.5	172.5	0	0	0	0	109	N117 V118 F120 L123 E485	V106-N117 WeakPolarHBondContact O-CA 3.42Å; V106-V118 PolarHBondContact N-O 2.83Å; V106-V118 PolarHBondContact O-N 3.01Å; V106-F120 HydrophobicContact CG2-CB 4.45Å; V106-F120 HydrophobicContact CG2-CD1 4.43Å; V106-F120 HydrophobicContact CG2-CD2 3.21Å; V106-F120 HydrophobicContact CG2-CE2 3.33Å; V106-F120 HydrophobicContact CG2-CG 3.8Å; V106-F120 HydrophobicContact CG2-CZ 4.04Å; V106-L123 HydrophobicContact CB-CD1 4.11Å; V106-L123 HydrophobicContact CG1-CD1 4.18Å; V106-L123 HydrophobicContact CG2-CD1 3.87Å; V106-E485 HydrophobicContact CG1-CG 3.71Å; V106-E485 WeakPolarHBondContact CG1-OE1 3.41Å; V106-E485 HydrophobicContact CG2-CG 4.05Å
107	C	94.6	Very high	92.7	Very high	18 Å²	18	57.4 Å²	57.4	12%	0.122	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.8	173.4	-179.9	0	0	0	0	109.7	N117 R489 Q497	C107-N117 PolarHBondContact N-OD1 3.36Å; C107-R489 PolarHBondContact O-NH1 3.33Å; C107-Q497 PolarHBondContact O-NE2 3.01Å
108	L	92.4	Very high	92.5	Very high	45 Å²	45	49.7 Å²	49.7	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-35.8	175.1	-71.8	-176.6	0	0	0	112	I5 V116 V118 L123 L494	I5-L108 HydrophobicContact CD1-CD1 4.04Å; I5-L108 HydrophobicContact CD1-CD2 4.36Å; I5-L108 HydrophobicContact CG1-CD1 4.28Å; I5-L108 HydrophobicContact CG2-CD1 4.22Å; L108-V116 PolarHBondContact N-O 3.4Å; L108-V118 HydrophobicContact CD1-CB 4.32Å; L108-V118 HydrophobicContact CD1-CG1 3.49Å; L108-V118 VanDerWaalsContact CD1-CG1 3.49Å; L108-V118 HydrophobicContact CD1-CG2 3.89Å; L108-V118 HydrophobicContact CD2-CG2 3.97Å; L108-V118 HydrophobicContact CG-CB 4.46Å; L108-V118 HydrophobicContact CG-CG1 3.98Å; L108-V118 HydrophobicContact CG-CG2 3.65Å; L108-L123 HydrophobicContact CD2-CD2 3.7Å; L108-L494 HydrophobicContact CD2-CD1 4.4Å
109	G	90.3	Very high	92.5	Very high	25 Å²	25	49.6 Å²	49.6	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-159.6	-175.8	0	0	0	0	0	110.5	E115 V116	G109-E115 WeakPolarHBondContact O-CA 3.46Å; G109-V116 PolarHBondContact O-N 3.2Å
110	S	87	Confident	92.4	Very high	66 Å²	66	49.5 Å²	49.5	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.1	-178.5	-56.5	0	0	0	0	111.5
111	G	83.9	Confident	92.3	Very high	38 Å²	38	52.6 Å²	52.6	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-168.2	167.6	0	0	0	0	0	111.9	E113 G114	G111-E113 VanDerWaalsContact C-N 3.25Å; G111-E113 PolarHBondContact O-N 3.44Å; G111-G114 PolarHBondContact N-O 2.87Å; G111-G114 PolarHBondContact O-N 3.44Å
112	L	77.8	Confident	92.1	Very high	113 Å²	113	53.4 Å²	53.4	59%	0.592	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.1	-178.8	-63.2	176.6	0	0	0	113.3	L525	L112-L525 HydrophobicContact CD2-CD1 3.41Å; L112-L525 VanDerWaalsContact CD2-CD1 3.41Å; L112-L525 HydrophobicContact CD2-CD2 4.06Å; L112-L525 HydrophobicContact CD2-CG 4.4Å
113	E	81.8	Confident	92	Very high	203 Å²	203	52.6 Å²	52.6	95%	0.949	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	4.4	-175	-60.9	-176.5	172.1	0	0	113.3	G111	G111-E113 VanDerWaalsContact C-N 3.25Å; G111-E113 PolarHBondContact O-N 3.44Å
114	G	85.1	Confident	92	Very high	36 Å²	36	50.4 Å²	50.4	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.2	-155.8	-177.9	0	0	0	0	0	113.1	G111 V116	G111-G114 PolarHBondContact N-O 2.87Å; G111-G114 PolarHBondContact O-N 3.44Å; G114-V116 PolarHBondContact O-N 3.14Å
115	E	90.3	Very high	91.9	Very high	115 Å²	115	51.4 Å²	51.4	54%	0.537	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.9	-178	-68	-170.6	159.3	0	0	112.4	G109	G109-E115 WeakPolarHBondContact O-CA 3.46Å
116	V	92.9	Very high	91.8	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.406	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	107.5	176.3	-178.8	0	0	0	0	108.7	L108 G109 G114	L108-V116 PolarHBondContact N-O 3.4Å; G109-V116 PolarHBondContact O-N 3.2Å; G114-V116 PolarHBondContact O-N 3.14Å
117	N	94.9	Very high	91.9	Very high	82 Å²	82	49.5 Å²	49.5	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.7	176.8	-75.6	-85.1	0	0	0	110.6	V106 C107	V106-N117 WeakPolarHBondContact O-CA 3.42Å; C107-N117 PolarHBondContact N-OD1 3.36Å
118	V	95.4	Very high	92.1	Very high	12 Å²	12	51.3 Å²	51.3	7%	0.073	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.7	177.8	-62	0	0	0	0	110.6	I5 T105 V106 L108 F120 L123	I5-V118 HydrophobicContact CD1-CB 4.11Å; I5-V118 HydrophobicContact CD1-CG1 4.31Å; I5-V118 HydrophobicContact CD1-CG2 3.62Å; T105-V118 CarbonylContact C-O 3.57Å; T105-V118 WeakPolarHBondContact CA-O 3.43Å; T105-V118 VanDerWaalsContact CB-O 3.23Å; T105-V118 WeakPolarHBondContact CB-O 3.41Å; V106-V118 PolarHBondContact N-O 2.83Å; V106-V118 PolarHBondContact O-N 3.01Å; L108-V118 HydrophobicContact CD1-CB 4.32Å; L108-V118 HydrophobicContact CD1-CG1 3.49Å; L108-V118 VanDerWaalsContact CD1-CG1 3.49Å; L108-V118 HydrophobicContact CD1-CG2 3.89Å; L108-V118 HydrophobicContact CD2-CG2 3.97Å; L108-V118 HydrophobicContact CG-CB 4.46Å; L108-V118 HydrophobicContact CG-CG1 3.98Å; L108-V118 HydrophobicContact CG-CG2 3.65Å; V118-F120 PolarHBondContact O-N 3.23Å; V118-L123 HydrophobicContact CG2-CD2 4.22Å
119	P	96.4	Very high	92.4	Very high	43 Å²	43	49.2 Å²	49.2	28%	0.279	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	138.2	172.8	-25.3	35.7	0	0	0	111.8	R121 D122	P119-R121 VanDerWaalsContact C-N 3.27Å; P119-R121 HydrophobicContact CB-CG 4.1Å; P119-R121 PolarHBondContact O-N 2.85Å; P119-D122 HydrophobicContact CB-CB 4.38Å; P119-D122 WeakPolarHBondContact CD-OD2 3.24Å; P119-D122 WeakPolarHBondContact CG-OD2 3.41Å; P119-D122 WeakPolarHBondContact O-CB 3.49Å; P119-D122 PolarHBondContact O-N 3.29Å
120	F	96.1	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-56.6	-41.7	-176.9	-149.2	-69.5	0	0	0	112	L100 L101 S104 V106 V118 D122 L123 I484 E485 M488	L100-F120 HydrophobicContact CD1-CD2 4.2Å; L100-F120 HydrophobicContact CD1-CE2 4.14Å; L100-F120 HydrophobicContact CD2-CE2 4.45Å; L100-F120 HydrophobicContact CD2-CZ 4.35Å; L100-F120 HydrophobicContact CG-CD2 4.29Å; L100-F120 HydrophobicContact CG-CE2 4.31Å; L101-F120 HydrophobicContact CD2-CD1 3.56Å; L101-F120 HydrophobicContact CD2-CE1 3.91Å; L101-F120 HydrophobicContact CD2-CG 4.36Å; S104-F120 PolarHBondContact O-N 2.86Å; S104-F120 WeakPolarHBondContact OG-CD2 3.36Å; V106-F120 HydrophobicContact CG2-CB 4.45Å; V106-F120 HydrophobicContact CG2-CD1 4.43Å; V106-F120 HydrophobicContact CG2-CD2 3.21Å; V106-F120 HydrophobicContact CG2-CE2 3.33Å; V106-F120 HydrophobicContact CG2-CG 3.8Å; V106-F120 HydrophobicContact CG2-CZ 4.04Å; V118-F120 PolarHBondContact O-N 3.23Å; F120-D122 PolarHBondContact O-N 3.25Å; F120-L123 HydrophobicContact CD1-CD1 4.48Å; F120-L123 WeakPolarHBondContact O-CB 3.46Å; F120-L123 PolarHBondContact O-N 3.03Å; F120-I484 HydrophobicContact CE1-CG2 3.8Å; F120-I484 HydrophobicContact CZ-CB 4.46Å; F120-I484 HydrophobicContact CZ-CG2 3.84Å; F120-E485 HydrophobicContact CE2-CB 4.48Å; F120-E485 HydrophobicContact CZ-CB 4.17Å; F120-M488 HydrophobicContact CD1-SD 3.95Å; F120-M488 HydrophobicContact CE1-SD 3.46Å; F120-M488 WeakPolarHBondContact CE1-SD 3.46Å
121	R	95.3	Very high	93.3	Very high	79 Å²	79	51.2 Å²	51.2	30%	0.298	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.2	-20.4	175.2	65.3	-176.8	-175.3	-174.3	-0.5	115.7	L101 P119 L123 M126 H128	L101-R121 VanDerWaalsContact O-CB 3.29Å; L101-R121 WeakPolarHBondContact O-CB 3.47Å; L101-R121 PolarHBondContact O-N 3.1Å; L101-R121 VanDerWaalsContact O-N 3.08Å; P119-R121 VanDerWaalsContact C-N 3.27Å; P119-R121 HydrophobicContact CB-CG 4.1Å; P119-R121 PolarHBondContact O-N 2.85Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-M126 HydrophobicContact CB-SD 4.4Å; R121-H128 PolarHBondContact NH1-NE2 3.17Å
122	D	94.8	Very high	94	Very high	18 Å²	18	49.9 Å²	49.9	10%	0.096	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-84.8	-9.6	-176.4	-70.6	-11.3	0	0	0	111.6	S2 A3 I5 P119 F120	S2-D122 PolarHBondContact OG-OD1 2.91Å; A3-D122 PolarHBondContact N-OD2 3.15Å; I5-D122 HydrophobicContact CD1-CB 4.22Å; I5-D122 VanDerWaalsContact CD1-O 3.31Å; I5-D122 WeakPolarHBondContact CD1-O 3.3Å; P119-D122 HydrophobicContact CB-CB 4.38Å; P119-D122 WeakPolarHBondContact CD-OD2 3.24Å; P119-D122 WeakPolarHBondContact CG-OD2 3.41Å; P119-D122 WeakPolarHBondContact O-CB 3.49Å; P119-D122 PolarHBondContact O-N 3.29Å; F120-D122 PolarHBondContact O-N 3.25Å
123	L	95.6	Very high	95	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	-61.9	-44.6	177.9	-72.9	178.5	0	0	0	113.2	I5 V106 L108 V118 F120 R121 M488 L492	I5-L123 HydrophobicContact CD1-CD2 4.03Å; V106-L123 HydrophobicContact CB-CD1 4.11Å; V106-L123 HydrophobicContact CG1-CD1 4.18Å; V106-L123 HydrophobicContact CG2-CD1 3.87Å; L108-L123 HydrophobicContact CD2-CD2 3.7Å; V118-L123 HydrophobicContact CG2-CD2 4.22Å; F120-L123 HydrophobicContact CD1-CD1 4.48Å; F120-L123 WeakPolarHBondContact O-CB 3.46Å; F120-L123 PolarHBondContact O-N 3.03Å; R121-L123 VanDerWaalsContact C-N 3.32Å; L123-M488 HydrophobicContact CB-CE 3.75Å; L123-M488 HydrophobicContact CD1-CB 4.07Å; L123-M488 HydrophobicContact CD1-CE 4.38Å; L123-M488 HydrophobicContact CD1-SD 4.38Å; L123-L492 HydrophobicContact CB-CD1 4.45Å; L123-L492 HydrophobicContact CD2-CD1 4.14Å; L123-L492 WeakPolarHBondContact O-CD1 3.5Å
124	L	96.6	Very high	95.8	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-137.6	151.9	-178.4	-66.6	172.8	0	0	0	109.7	I19 T50 M126 L434 M488 C491 L492	I19-L124 HydrophobicContact CD1-CD2 4.04Å; T50-L124 HydrophobicContact CG2-CD2 4.48Å; L124-M126 WeakPolarHBondContact O-CB 3.3Å; L124-M126 PolarHBondContact O-N 2.98Å; L124-L434 HydrophobicContact CB-CD1 4.23Å; L124-L434 HydrophobicContact CD1-CD1 4.19Å; L124-L434 HydrophobicContact CD1-CD2 4.23Å; L124-M488 HydrophobicContact CB-CE 3.89Å; L124-M488 HydrophobicContact CD1-CB 4.04Å; L124-M488 HydrophobicContact CD1-CE 3.85Å; L124-M488 HydrophobicContact CD1-CG 3.96Å; L124-M488 HydrophobicContact CG-CE 3.95Å; L124-C491 HydrophobicContact CD1-CB 3.82Å; L124-C491 HydrophobicContact CD2-CB 3.97Å; L124-L492 HydrophobicContact CD2-CD2 3.79Å; L124-L492 HydrophobicContact CD2-CG 3.96Å
125	P	96.1	Very high	96.5	Very high	42 Å²	42	36.9 Å²	36.9	27%	0.273	19%	0.193	S	C	.	.			trans	-54.9	123.7	170.9	-23.5	33.8	0	0	0	110.6	I19 V54 R437	I19-P125 HydrophobicContact CD1-CG 4.41Å; V54-P125 HydrophobicContact CG2-CB 3.78Å; P125-R437 PolarHBondContact O-NH1 2.66Å; P125-R437 PolarHBondContact O-NH2 3.39Å
126	M	95.8	Very high	96.9	Very high	24 Å²	24	31.4 Å²	31.4	12%	0.118	17%	0.167	C	C	.	.			trans	-145.6	149.9	-167.4	-166.7	-174.7	-54.4	0	0	111	L101 R121 L124 H128 I430 L434 M488	L101-M126 HydrophobicContact CB-SD 4.18Å; L101-M126 HydrophobicContact CD1-SD 3.82Å; L101-M126 HydrophobicContact CD2-CE 4.33Å; L101-M126 HydrophobicContact CD2-SD 4.32Å; L101-M126 HydrophobicContact CG-SD 4.33Å; R121-M126 HydrophobicContact CB-SD 4.4Å; L124-M126 WeakPolarHBondContact O-CB 3.3Å; L124-M126 PolarHBondContact O-N 2.98Å; M126-H128 PolarHBondContact O-N 2.98Å; M126-I430 HydrophobicContact CG-CG2 3.24Å; M126-I430 HydrophobicContact SD-CG2 3.32Å; M126-I430 WeakPolarHBondContact SD-CG2 3.35Å; M126-L434 HydrophobicContact CE-CD2 4.22Å; M126-M488 HydrophobicContact CE-CE 3.44Å; M126-M488 VanDerWaalsContact CE-CE 3.44Å; M126-M488 HydrophobicContact CE-SD 4.47Å
127	V	98.1	Very high	97.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.148	C	C	.	.			trans	-58.9	128.6	173.4	173.1	0	0	0	0	110.1	V54 L57 I132 I430 E433	V54-V127 HydrophobicContact CG1-CB 4.23Å; V54-V127 HydrophobicContact CG1-CG2 3.58Å; L57-V127 HydrophobicContact CB-CG1 4.14Å; L57-V127 HydrophobicContact CB-CG2 4.08Å; L57-V127 HydrophobicContact CD2-CB 4.5Å; L57-V127 HydrophobicContact CD2-CG1 4.09Å; L57-V127 HydrophobicContact CD2-CG2 4.26Å; V127-I132 HydrophobicContact CG1-CD1 4.26Å; V127-I132 HydrophobicContact CG1-CG1 3.74Å; V127-I430 HydrophobicContact CB-CG1 4.39Å; V127-I430 HydrophobicContact CG1-CG1 4.44Å; V127-E433 HydrophobicContact CG2-CB 4.49Å; V127-E433 HydrophobicContact CG2-CG 3.84Å
128	H	97.9	Very high	97.3	Very high	57 Å²	57	24.4 Å²	24.4	26%	0.264	13%	0.127	S	C	.	.			trans	-86.1	136.1	169	-169.9	-83.7	0	0	0	109.5	R121 M126 N130 D131	R121-H128 PolarHBondContact NH1-NE2 3.17Å; M126-H128 PolarHBondContact O-N 2.98Å; H128-N130 VanDerWaalsContact CE1-CG 3.44Å; H128-N130 PolarHBondContact CE1-ND2 2.88Å; H128-N130 WeakPolarHBondContact ND1-CB 3.34Å; H128-N130 PolarHBondContact ND1-N 3.34Å; H128-N130 PolarHBondContact O-N 3.29Å; H128-N130 VanDerWaalsContact O-N 3.09Å; H128-D131 PolarHBondContact O-N 2.92Å
129	P	98.3	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-55.4	-32.6	-176.8	-25.9	29.8	0	0	0	115	V76 Y96 Q102 D131 I132 L426 I430	V76-P129 VanDerWaalsContact CG1-O 3.24Å; V76-P129 WeakPolarHBondContact CG1-O 3.29Å; V76-P129 HydrophobicContact CG2-CB 4.27Å; Y96-P129 HydrophobicContact CD1-CB 4.48Å; Y96-P129 HydrophobicContact CD2-CG 4.32Å; Y96-P129 HydrophobicContact CE1-CB 3.8Å; Y96-P129 HydrophobicContact CE1-CG 4.31Å; Y96-P129 HydrophobicContact CE2-CB 3.92Å; Y96-P129 HydrophobicContact CE2-CG 4.07Å; Y96-P129 VanDerWaalsContact CZ-CB 3.47Å; Y96-P129 WeakPolarHBondContact OH-CB 3.11Å; Q102-P129 HydrophobicContact CG-CG 3.72Å; P129-D131 PolarHBondContact O-N 3.43Å; P129-D131 VanDerWaalsContact O-N 3.16Å; P129-I132 WeakPolarHBondContact O-CB 3.38Å; P129-I132 PolarHBondContact O-N 3.04Å; P129-L426 HydrophobicContact CB-CD1 4.14Å; P129-L426 HydrophobicContact CB-CD2 4.24Å; P129-L426 HydrophobicContact CG-CD1 4.38Å; P129-I430 HydrophobicContact CG-CD1 3.83Å
130	N	98.4	Very high	97.6	Very high	36 Å²	36	22.8 Å²	22.8	19%	0.193	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.5	176.5	-68.9	-4.2	0	0	0	114.3	N79 K80 Y96 H128	N79-N130 WeakPolarHBondContact CB-OD1 3.31Å; K80-N130 HydrophobicContact CB-CB 4.4Å; K80-N130 PolarHBondContact NZ-O 3.19Å; Y96-N130 PolarHBondContact OH-OD1 3.01Å; H128-N130 VanDerWaalsContact CE1-CG 3.44Å; H128-N130 PolarHBondContact CE1-ND2 2.88Å; H128-N130 WeakPolarHBondContact ND1-CB 3.34Å; H128-N130 PolarHBondContact ND1-N 3.34Å; H128-N130 PolarHBondContact O-N 3.29Å; H128-N130 VanDerWaalsContact O-N 3.09Å
131	D	97.9	Very high	97.7	Very high	98 Å²	98	25.5 Å²	25.5	52%	0.524	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-96.2	-6.2	-176.4	-57.5	-35.8	0	0	0	112.4	H128 P129	H128-D131 PolarHBondContact O-N 2.92Å; P129-D131 PolarHBondContact O-N 3.43Å; P129-D131 VanDerWaalsContact O-N 3.16Å
132	I	98.8	Very high	97.9	Very high	9 Å²	9	24 Å²	24	5%	0.046	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-71	133.1	176.9	-61	177.1	0	0	0	109.8	L57 V59 V127 P129 F134 L426 V429 I430	L57-I132 HydrophobicContact CD2-CD1 4.44Å; L57-I132 HydrophobicContact CD2-CG1 4.34Å; V59-I132 HydrophobicContact CB-CG2 3.96Å; V59-I132 HydrophobicContact CG2-CG2 3.56Å; V127-I132 HydrophobicContact CG1-CD1 4.26Å; V127-I132 HydrophobicContact CG1-CG1 3.74Å; P129-I132 WeakPolarHBondContact O-CB 3.38Å; P129-I132 PolarHBondContact O-N 3.04Å; I132-F134 HydrophobicContact CB-CE2 4.05Å; I132-F134 HydrophobicContact CB-CZ 4.26Å; I132-F134 HydrophobicContact CG2-CD1 4.37Å; I132-F134 HydrophobicContact CG2-CD2 4.06Å; I132-F134 HydrophobicContact CG2-CE1 3.97Å; I132-F134 HydrophobicContact CG2-CE2 3.61Å; I132-F134 HydrophobicContact CG2-CG 4.42Å; I132-F134 HydrophobicContact CG2-CZ 3.57Å; I132-L426 HydrophobicContact CD1-CD2 4.03Å; I132-V429 HydrophobicContact CD1-CG2 4.1Å; I132-I430 HydrophobicContact CD1-CD1 4.41Å; I132-I430 HydrophobicContact CD1-CG1 4.21Å
133	V	98.8	Very high	98.1	Very high	37 Å²	37	24 Å²	24	22%	0.224	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.2	170.9	-174.3	0	0	0	0	108.6	L57 G58 V59 F211 V217	L57-V133 PolarHBondContact O-N 3.44Å; G58-V133 CarbonylContact C-O 3.57Å; G58-V133 WeakPolarHBondContact CA-O 3.29Å; V59-V133 PolarHBondContact N-O 2.97Å; V133-F211 HydrophobicContact CB-CZ 4.31Å; V133-F211 HydrophobicContact CG1-CE2 3.93Å; V133-F211 HydrophobicContact CG1-CZ 4.06Å; V133-V217 HydrophobicContact CB-CG1 4.05Å; V133-V217 HydrophobicContact CG2-CG1 3.99Å
134	F	98.8	Very high	98.2	Very high	23 Å²	23	23.8 Å²	23.8	10%	0.101	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.2	177.6	-67.7	-82.7	0	0	0	111.9	V59 L61 W64 V72 V76 I132 L426	V59-F134 HydrophobicContact CB-CD1 3.92Å; V59-F134 HydrophobicContact CB-CE1 3.9Å; V59-F134 HydrophobicContact CG1-CD1 4.05Å; V59-F134 HydrophobicContact CG1-CE1 3.88Å; V59-F134 WeakPolarHBondContact O-CA 3.23Å; L61-F134 HydrophobicContact CD1-CD1 3.92Å; L61-F134 HydrophobicContact CD1-CE1 4.2Å; L61-F134 HydrophobicContact CG-CD1 4.26Å; W64-F134 HydrophobicContact CZ2-CB 3.86Å; V72-F134 HydrophobicContact CG1-CE1 4.26Å; V72-F134 HydrophobicContact CG2-CZ 4.16Å; V76-F134 HydrophobicContact CB-CE2 4.02Å; V76-F134 HydrophobicContact CG1-CE2 4.13Å; V76-F134 HydrophobicContact CG2-CE2 3.83Å; V76-F134 HydrophobicContact CG2-CZ 4.27Å; I132-F134 HydrophobicContact CB-CE2 4.05Å; I132-F134 HydrophobicContact CB-CZ 4.26Å; I132-F134 HydrophobicContact CG2-CD1 4.37Å; I132-F134 HydrophobicContact CG2-CD2 4.06Å; I132-F134 HydrophobicContact CG2-CE1 3.97Å; I132-F134 HydrophobicContact CG2-CE2 3.61Å; I132-F134 HydrophobicContact CG2-CG 4.42Å; I132-F134 HydrophobicContact CG2-CZ 3.57Å; F134-L426 HydrophobicContact CZ-CD2 4.1Å
135	D	98.8	Very high	98.3	Very high	20 Å²	20	23.5 Å²	23.5	11%	0.107	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	-176.5	163.1	-163.7	-10.7	0	0	0	106.9	V59 M60 L61 R172 F211	V59-D135 PolarHBondContact O-N 2.87Å; V59-D135 VanDerWaalsContact O-N 3.11Å; M60-D135 CarbonylContact C-O 3.44Å; M60-D135 VanDerWaalsContact CA-O 3.27Å; M60-D135 WeakPolarHBondContact CA-O 3.1Å; M60-D135 HydrophobicContact CE-CB 4.26Å; M60-D135 HydrophobicContact CG-CB 4.43Å; L61-D135 PolarHBondContact N-O 3.44Å; D135-R172 IonicContact OD1-NE 2.76Å; D135-R172 PolarHBondContact OD1-NE 3.35Å; D135-R172 IonicContact OD2-CZ 2.73Å; D135-R172 IonicContact OD2-NE 2.81Å; D135-R172 PolarHBondContact OD2-NE 2.73Å; D135-R172 IonicContact OD2-NH2 3.19Å; D135-R172 PolarHBondContact OD2-NH2 2.93Å; D135-F211 HydrophobicContact CB-CD2 3.43Å; D135-F211 VanDerWaalsContact CB-CD2 3.43Å; D135-F211 HydrophobicContact CB-CE2 3.45Å; D135-F211 VanDerWaalsContact CB-CE2 3.45Å; D135-F211 HydrophobicContact CB-CG 4.04Å; D135-F211 HydrophobicContact CB-CZ 4.06Å; D135-F211 WeakPolarHBondContact OD2-CD2 3.27Å
136	G	98.8	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-168.9	172.6	0	0	0	0	0	114.3	L61 W64 R172	L61-G136 CarbonylContact O-C 3.43Å; L61-G136 VanDerWaalsContact O-CA 3.23Å; L61-G136 WeakPolarHBondContact O-CA 3.36Å; W64-G136 VanDerWaalsContact CE3-N 3.31Å; G136-R172 WeakPolarHBondContact O-CB 3.43Å; G136-R172 PolarHBondContact O-N 3.01Å
137	W	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.1	-172.8	-54.6	-95.9	0	0	0	110.6	M60 L61 V62 G63 W64 R172 P173 I204 D207 I208 V222 F262	M60-W137 HydrophobicContact CB-CE3 4.4Å; M60-W137 HydrophobicContact CB-CH2 3.77Å; M60-W137 HydrophobicContact CB-CZ3 3.47Å; M60-W137 VanDerWaalsContact CB-CZ3 3.47Å; M60-W137 HydrophobicContact CE-CH2 3.34Å; M60-W137 HydrophobicContact CE-CZ2 3.39Å; M60-W137 HydrophobicContact CE-CZ3 3.98Å; M60-W137 HydrophobicContact CG-CH2 4.29Å; M60-W137 HydrophobicContact CG-CZ3 4.43Å; M60-W137 HydrophobicContact SD-CH2 3.54Å; M60-W137 VanDerWaalsContact SD-CH2 3.54Å; M60-W137 HydrophobicContact SD-CZ2 4.1Å; M60-W137 HydrophobicContact SD-CZ3 4.25Å; L61-W137 PolarHBondContact O-N 3.48Å; V62-W137 HydrophobicContact CG2-CE3 4.07Å; V62-W137 HydrophobicContact CG2-CZ3 4.37Å; G63-W137 WeakPolarHBondContact CA-O 3.33Å; G63-W137 PolarHBondContact N-O 3.16Å; W64-W137 PolarHBondContact N-O 2.95Å; W137-R172 VanDerWaalsContact CA-O 3.31Å; W137-R172 WeakPolarHBondContact CA-O 3.21Å; W137-R172 VanDerWaalsContact CD1-CB 3.44Å; W137-R172 HydrophobicContact CG-CB 4.14Å; W137-P173 VanDerWaalsContact CD1-O 3.31Å; W137-I204 HydrophobicContact CG-CD1 4.47Å; W137-I204 HydrophobicContact CH2-CG2 4.28Å; W137-I204 HydrophobicContact CZ2-CG2 4Å; W137-D207 HydrophobicContact CZ2-CB 3.67Å; W137-D207 PolarHBondContact NE1-OD2 3.43Å; W137-I208 HydrophobicContact CH2-CD1 4.49Å; W137-I208 HydrophobicContact CH2-CG1 3.86Å; W137-I208 HydrophobicContact CZ2-CG1 4.19Å; W137-V222 HydrophobicContact CZ3-CG1 4.23Å; W137-F262 HydrophobicContact CB-CE1 4.44Å; W137-F262 HydrophobicContact CB-CZ 4.25Å; W137-F262 AromaticContact CD2-CE1 3.64Å; W137-F262 HydrophobicContact CD2-CE1 3.64Å; W137-F262 HydrophobicContact CD2-CZ 4.29Å; W137-F262 HydrophobicContact CE3-CD1 4.34Å; W137-F262 AromaticContact CE3-CE1 3.66Å; W137-F262 HydrophobicContact CE3-CE1 3.66Å; W137-F262 AromaticContact CG-CE1 3.99Å; W137-F262 HydrophobicContact CG-CE1 3.99Å; W137-F262 HydrophobicContact CG-CZ 4.16Å; W137-F262 HydrophobicContact CH2-CE1 4.47Å; W137-F262 HydrophobicContact CZ2-CE1 4.48Å; W137-F262 HydrophobicContact CZ3-CD1 4.37Å; W137-F262 HydrophobicContact CZ3-CE1 4.08Å
138	D	98.9	Very high	98.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	14%	0.139	C	C	.	.			trans	-153	140.3	168	-160	-51.5	0	0	0	109	G65 G66 S140 P171 R172 R188 N191	G65-D138 WeakPolarHBondContact CA-OD2 3.42Å; G65-D138 PolarHBondContact N-OD2 3.48Å; G66-D138 PolarHBondContact N-OD2 3.15Å; D138-S140 PolarHBondContact O-N 2.76Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 3.09Å; D138-P171 HydrophobicContact CB-CB 3.48Å; D138-P171 VanDerWaalsContact CB-CB 3.48Å; D138-P171 HydrophobicContact CB-CG 3.8Å; D138-R172 PolarHBondContact N-O 3.38Å; D138-R172 VanDerWaalsContact N-O 3.09Å; D138-R188 VanDerWaalsContact CG-NH2 3.31Å; D138-R188 IonicContact OD1-CZ 2.89Å; D138-R188 IonicContact OD1-NH1 2.83Å; D138-R188 PolarHBondContact OD1-NH1 3.22Å; D138-R188 IonicContact OD1-NH2 3.55Å; D138-R188 PolarHBondContact OD1-NH2 3.2Å; D138-R188 IonicContact OD2-CZ 2.82Å; D138-R188 IonicContact OD2-NH1 3.65Å; D138-R188 IonicContact OD2-NH2 3.77Å; D138-R188 PolarHBondContact OD2-NH2 3.29Å; D138-N191 PolarHBondContact O-ND2 3.16Å
139	I	98.7	Very high	98.6	Very high	14 Å²	14	29 Å²	29	7%	0.072	15%	0.145	C	C	.	.	S	Bend	trans	-64.2	-14.7	172.5	63.3	175.3	0	0	0	112	Y176 I181 A189 D190 N191 V192	I139-Y176 HydrophobicContact CD1-CD2 4.45Å; I139-Y176 HydrophobicContact CG2-CG 4.5Å; I139-I181 HydrophobicContact CD1-CD1 4.13Å; I139-A189 HydrophobicContact CB-CB 4.27Å; I139-A189 HydrophobicContact CD1-CB 4.23Å; I139-A189 CarbonylContact O-C 3.53Å; I139-A189 VanDerWaalsContact O-CA 3.27Å; I139-A189 WeakPolarHBondContact O-CA 3.36Å; I139-D190 PolarHBondContact O-N 2.8Å; I139-N191 WeakPolarHBondContact O-CB 3.29Å; I139-N191 PolarHBondContact O-N 3.39Å; I139-V192 HydrophobicContact CB-CG1 4.31Å; I139-V192 HydrophobicContact CG2-CG1 4.45Å
140	S	98.7	Very high	98.6	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	16%	0.161	C	C	.	.	S	Bend	trans	-99.2	134.3	173.6	-174.5	0	0	0	0	111.7	D138 L142 R150 R188 D190	D138-S140 PolarHBondContact O-N 2.76Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 3.09Å; S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 2.84Å; S140-R150 PolarHBondContact OG-NH1 3.44Å; S140-R188 WeakPolarHBondContact CA-O 3.48Å; S140-D190 VanDerWaalsContact CA-OD1 3.25Å; S140-D190 WeakPolarHBondContact CA-OD1 3.44Å
141	S	98.3	Very high	98.6	Very high	57 Å²	57	31.8 Å²	31.8	40%	0.399	15%	0.154	S	C	.	.			trans	-78.4	-3.3	-178.1	71.2	0	0	0	0	114.8	D143 D190	S141-D143 PolarHBondContact O-N 3.02Å; S141-D190 WeakPolarHBondContact CB-OD1 3.45Å; S141-D190 WeakPolarHBondContact CB-OD2 3.33Å; S141-D190 PolarHBondContact N-OD1 2.84Å; S141-D190 VanDerWaalsContact OG-CG 3.31Å; S141-D190 PolarHBondContact OG-OD1 2.76Å; S141-D190 PolarHBondContact OG-OD2 2.7Å
142	L	98.4	Very high	98.6	Very high	47 Å²	47	34.3 Å²	34.3	25%	0.246	16%	0.163	C	C	.	.			trans	-61.2	131.7	-177.3	-67.4	-168.3	0	0	0	111.4	S140 R146 A147 P171	S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 2.84Å; L142-R146 HydrophobicContact CB-CB 4.38Å; L142-R146 HydrophobicContact CD1-CB 4.35Å; L142-R146 HydrophobicContact CD2-CB 4.34Å; L142-A147 HydrophobicContact CB-CB 4.27Å; L142-P171 WeakPolarHBondContact O-CD 3.26Å
143	D	98.8	Very high	98.6	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	17%	0.167	C	C	.	.			trans	-60.6	157.1	165	65.7	87.3	0	0	0	111	S141 G145 R146 A147 S167 L169 K170	S141-D143 PolarHBondContact O-N 3.02Å; D143-G145 PolarHBondContact O-N 3.08Å; D143-G145 WeakPolarHBondContact OD1-CA 3.32Å; D143-G145 PolarHBondContact OD1-N 2.85Å; D143-R146 PolarHBondContact O-N 2.95Å; D143-R146 PolarHBondContact OD1-N 2.92Å; D143-R146 VanDerWaalsContact OD2-CD 3.25Å; D143-R146 WeakPolarHBondContact OD2-CD 3.27Å; D143-R146 WeakPolarHBondContact OD2-CG 3.12Å; D143-R146 IonicContact OD2-NE 3.67Å; D143-A147 WeakPolarHBondContact O-CB 3.21Å; D143-A147 PolarHBondContact O-N 3.47Å; D143-S167 VanDerWaalsContact OD1-CA 3.31Å; D143-S167 WeakPolarHBondContact OD1-CA 3.23Å; D143-S167 WeakPolarHBondContact OD1-CB 3.42Å; D143-S167 PolarHBondContact OD1-OG 2.88Å; D143-L169 WeakPolarHBondContact CA-O 3.47Å; D143-K170 HydrophobicContact CB-CG 4.05Å
144	L	98.8	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-21.1	-174.8	-58.5	-173.7	0	0	0	113.6	W64 T70 T73 M148 M166 L169 P171	W64-L144 HydrophobicContact CD2-CD1 4.11Å; W64-L144 HydrophobicContact CD2-CD2 4.13Å; W64-L144 VanDerWaalsContact CE2-CD1 3.45Å; W64-L144 HydrophobicContact CG-CD2 4.12Å; W64-L144 HydrophobicContact CH2-CD1 4.24Å; W64-L144 HydrophobicContact CZ2-CD1 3.55Å; T70-L144 HydrophobicContact CG2-CB 4.45Å; T70-L144 HydrophobicContact CG2-CD2 3.91Å; T73-L144 HydrophobicContact CG2-CD1 3.78Å; L144-M148 WeakPolarHBondContact O-CB 3.48Å; L144-M148 PolarHBondContact O-N 2.96Å; L144-M166 HydrophobicContact CB-CB 4.33Å; L144-M166 HydrophobicContact CB-CE 3.6Å; L144-M166 WeakPolarHBondContact CB-O 3.43Å; L144-M166 HydrophobicContact CB-SD 4.34Å; L144-M166 HydrophobicContact CD1-CE 4.17Å; L144-L169 HydrophobicContact CB-CB 4.27Å; L144-L169 HydrophobicContact CD1-CB 3.6Å; L144-L169 HydrophobicContact CD1-CD1 3.83Å; L144-L169 HydrophobicContact CD1-CG 4.37Å; L144-L169 HydrophobicContact CG-CB 3.81Å; L144-L169 PolarHBondContact N-O 3.41Å; L144-P171 HydrophobicContact CD2-CG 4.33Å
145	G	98.6	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-47.3	174.3	0	0	0	0	0	111.6	D143 E149 M166	D143-G145 PolarHBondContact O-N 3.08Å; D143-G145 WeakPolarHBondContact OD1-CA 3.32Å; D143-G145 PolarHBondContact OD1-N 2.85Å; G145-E149 PolarHBondContact O-N 3Å; G145-M166 PolarHBondContact N-O 2.81Å
146	R	98.6	Very high	98.5	Very high	156 Å²	156	42.3 Å²	42.3	59%	0.589	20%	0.196	S	C	*	.	H	α-helix	trans	-68.2	-37	172.8	-69.3	-178.5	176.4	175	-2	112.4	L142 D143 E149 R150	L142-R146 HydrophobicContact CB-CB 4.38Å; L142-R146 HydrophobicContact CD1-CB 4.35Å; L142-R146 HydrophobicContact CD2-CB 4.34Å; D143-R146 PolarHBondContact O-N 2.95Å; D143-R146 PolarHBondContact OD1-N 2.92Å; D143-R146 VanDerWaalsContact OD2-CD 3.25Å; D143-R146 WeakPolarHBondContact OD2-CD 3.27Å; D143-R146 WeakPolarHBondContact OD2-CG 3.12Å; D143-R146 IonicContact OD2-NE 3.67Å; R146-E149 PolarHBondContact O-N 3Å; R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 PolarHBondContact O-N 3.49Å
147	A	98.7	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-35.7	178.5	0	0	0	0	0	112.3	G65 T70 L142 D143 R150 A151	G65-A147 WeakPolarHBondContact O-CB 3.4Å; T70-A147 HydrophobicContact CG2-CB 3.41Å; T70-A147 VanDerWaalsContact CG2-CB 3.41Å; L142-A147 HydrophobicContact CB-CB 4.27Å; D143-A147 WeakPolarHBondContact O-CB 3.21Å; D143-A147 PolarHBondContact O-N 3.47Å; A147-R150 PolarHBondContact O-N 2.97Å; A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 3.42Å
148	M	98.6	Very high	98.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-43.4	171.3	174.6	-179.4	63.7	0	0	111.5	A74 L144 A151 Q152 L154 Q159 L162 M166	A74-M148 HydrophobicContact CB-SD 4.24Å; L144-M148 WeakPolarHBondContact O-CB 3.48Å; L144-M148 PolarHBondContact O-N 2.96Å; M148-A151 PolarHBondContact O-N 2.97Å; M148-Q152 PolarHBondContact O-N 2.9Å; M148-L154 HydrophobicContact CG-CD1 4.38Å; M148-L154 HydrophobicContact SD-CD1 4.01Å; M148-Q159 HydrophobicContact CE-CB 3.74Å; M148-Q159 HydrophobicContact CE-CG 4.07Å; M148-Q159 WeakPolarHBondContact CE-O 3.27Å; M148-Q159 HydrophobicContact CG-CG 4.05Å; M148-Q159 HydrophobicContact SD-CB 4.26Å; M148-Q159 HydrophobicContact SD-CG 4.01Å; M148-L162 HydrophobicContact CE-CB 4.23Å; M148-L162 HydrophobicContact SD-CB 4.28Å; M148-L162 HydrophobicContact SD-CD1 4.29Å; M148-M166 HydrophobicContact CB-CE 4.34Å; M148-M166 HydrophobicContact CE-CG 4.42Å; M148-M166 HydrophobicContact SD-CE 4.42Å; M148-M166 HydrophobicContact SD-CG 4.41Å
149	E	98.3	Very high	98.4	Very high	83 Å²	83	44.7 Å²	44.7	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-44.5	175.3	-177.6	170.7	168.6	0	0	111.9	G145 R146 A151 Q152 W156 R163	G145-E149 PolarHBondContact O-N 3Å; R146-E149 PolarHBondContact O-N 3Å; E149-A151 VanDerWaalsContact C-N 3.27Å; E149-A151 PolarHBondContact O-N 2.96Å; E149-Q152 VanDerWaalsContact O-CG 3.26Å; E149-Q152 WeakPolarHBondContact O-CG 3.38Å; E149-Q152 PolarHBondContact O-N 2.99Å; E149-W156 HydrophobicContact CG-CZ3 4.27Å; E149-R163 IonicContact OE2-CZ 2.73Å; E149-R163 VanDerWaalsContact OE2-CZ 3.31Å; E149-R163 IonicContact OE2-NH1 3.72Å; E149-R163 PolarHBondContact OE2-NH1 3.38Å; E149-R163 IonicContact OE2-NH2 3.47Å; E149-R163 PolarHBondContact OE2-NH2 2.96Å
150	R	98.2	Very high	98.4	Very high	90 Å²	90	49.1 Å²	49.1	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-37.4	173.3	177.3	-178.3	66	-164.5	-3.8	112.4	G65 S140 R146 A147 Q152 R188	G65-R150 PolarHBondContact O-NH2 2.84Å; S140-R150 PolarHBondContact OG-NH1 3.44Å; R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 PolarHBondContact O-N 3.49Å; A147-R150 PolarHBondContact O-N 2.97Å; R150-Q152 VanDerWaalsContact C-N 3.3Å; R150-Q152 PolarHBondContact O-N 3.39Å; R150-R188 VanDerWaalsContact NH2-NH2 3.15Å
151	A	98.2	Very high	98.4	Very high	5 Å²	5	52.4 Å²	52.4	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-27.9	-176.8	0	0	0	0	0	112.7	N67 A147 M148 E149 V153	N67-A151 HydrophobicContact CB-CB 4.19Å; N67-A151 PolarHBondContact ND2-O 3.13Å; A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 3.42Å; M148-A151 PolarHBondContact O-N 2.97Å; E149-A151 VanDerWaalsContact C-N 3.27Å; E149-A151 PolarHBondContact O-N 2.96Å; A151-V153 HydrophobicContact CB-CG2 3.98Å; A151-V153 WeakPolarHBondContact O-CG2 3.26Å; A151-V153 PolarHBondContact O-N 2.99Å
152	Q	98.2	Very high	98.4	Very high	151 Å²	151	49.7 Å²	49.7	71%	0.706	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	35.6	178.3	-58.5	-175.5	-46.9	0	0	114	M148 E149 R150	M148-Q152 PolarHBondContact O-N 2.9Å; E149-Q152 VanDerWaalsContact O-CG 3.26Å; E149-Q152 WeakPolarHBondContact O-CG 3.38Å; E149-Q152 PolarHBondContact O-N 2.99Å; R150-Q152 VanDerWaalsContact C-N 3.3Å; R150-Q152 PolarHBondContact O-N 3.39Å
153	V	98.6	Very high	98.4	Very high	20 Å²	20	50.5 Å²	50.5	12%	0.121	23%	0.227	C	C	.	.			trans	-92.4	-48.9	-177.4	179.7	0	0	0	0	112.1	N67 T71 A151 D389 L419	N67-V153 HydrophobicContact CB-CG2 4.5Å; T71-V153 HydrophobicContact CG2-CG1 3.98Å; A151-V153 HydrophobicContact CB-CG2 3.98Å; A151-V153 WeakPolarHBondContact O-CG2 3.26Å; A151-V153 PolarHBondContact O-N 2.99Å; V153-D389 HydrophobicContact CG2-CB 4.09Å; V153-L419 HydrophobicContact CG1-CD1 4.42Å; V153-L419 HydrophobicContact CG1-CD2 3.88Å; V153-L419 HydrophobicContact CG1-CG 3.71Å
154	L	98.4	Very high	98.4	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.131	25%	0.253	C	S	.	.	S	Bend	trans	-88.8	152.3	-172.1	-60	179.4	0	0	0	111.7	T71 A74 M148 W156 L158 Q159 L162 L419	T71-L154 HydrophobicContact CG2-CD2 4.41Å; A74-L154 HydrophobicContact CB-CD1 3.49Å; A74-L154 VanDerWaalsContact CB-CD1 3.49Å; M148-L154 HydrophobicContact CG-CD1 4.38Å; M148-L154 HydrophobicContact SD-CD1 4.01Å; L154-W156 PolarHBondContact O-N 3.23Å; L154-L158 HydrophobicContact CB-CD2 4.36Å; L154-L158 HydrophobicContact CD1-CD2 4.18Å; L154-L158 HydrophobicContact CD2-CD2 4.31Å; L154-Q159 HydrophobicContact CB-CG 4.01Å; L154-Q159 PolarHBondContact O-NE2 3.18Å; L154-L162 HydrophobicContact CD1-CD1 4.26Å; L154-L419 HydrophobicContact CD2-CD2 4.01Å
155	D	98.3	Very high	98.4	Very high	79 Å²	79	59.7 Å²	59.7	42%	0.422	27%	0.274	S	S	.	.			trans	-54.5	138.7	170.9	-73.7	-60.8	0	0	0	111.1	W85 T87 S157 L158 Q159	W85-D155 PolarHBondContact NE1-OD2 2.85Å; T87-D155 VanDerWaalsContact CG2-OD2 3.29Å; T87-D155 WeakPolarHBondContact CG2-OD2 3.01Å; D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.85Å; D155-L158 WeakPolarHBondContact O-CB 3.45Å; D155-L158 PolarHBondContact O-N 2.85Å; D155-Q159 PolarHBondContact O-N 3.34Å
156	W	97.6	Very high	98.4	Very high	133 Å²	133	59.7 Å²	59.7	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-54.9	-42.4	-177.5	179.5	-99.3	0	0	0	113.3	E149 L154 L158 Q159 E160	E149-W156 HydrophobicContact CG-CZ3 4.27Å; L154-W156 PolarHBondContact O-N 3.23Å; W156-L158 PolarHBondContact O-N 3.34Å; W156-Q159 WeakPolarHBondContact O-CA 3.42Å; W156-Q159 WeakPolarHBondContact O-CB 3.29Å; W156-Q159 PolarHBondContact O-N 3.04Å; W156-E160 VanDerWaalsContact CD1-OE2 3.25Å; W156-E160 HydrophobicContact CD2-CG 4.49Å; W156-E160 HydrophobicContact CZ2-CG 4.2Å; W156-E160 PolarHBondContact NE1-OE2 3.28Å; W156-E160 PolarHBondContact O-N 3.01Å
157	S	97.5	Very high	98.4	Very high	35 Å²	35	54.4 Å²	54.4	25%	0.245	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-27.6	179	57.8	0	0	0	0	113.3	R86 D155 Q161	R86-S157 PolarHBondContact O-OG 3.28Å; D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.85Å; S157-Q161 WeakPolarHBondContact O-CG 3.43Å; S157-Q161 PolarHBondContact O-NE2 3.47Å
158	L	98.7	Very high	98.3	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-78.1	-41.2	171.2	177.8	59.2	0	0	0	110.9	A78 L83 W85 L154 D155 W156 E160 Q161 L162	A78-L158 HydrophobicContact CB-CD1 4.17Å; L83-L158 HydrophobicContact CB-CD1 4.49Å; L83-L158 HydrophobicContact CD1-CD1 4.04Å; W85-L158 HydrophobicContact CB-CB 4.31Å; W85-L158 HydrophobicContact CD2-CB 3.96Å; W85-L158 HydrophobicContact CD2-CD1 4.22Å; W85-L158 HydrophobicContact CD2-CD2 4.09Å; W85-L158 HydrophobicContact CD2-CG 4.31Å; W85-L158 HydrophobicContact CE3-CB 4.4Å; W85-L158 HydrophobicContact CE3-CD1 3.79Å; W85-L158 HydrophobicContact CE3-CD2 4.07Å; W85-L158 HydrophobicContact CE3-CG 4.3Å; W85-L158 HydrophobicContact CG-CB 3.9Å; W85-L158 HydrophobicContact CH2-CD2 3.88Å; W85-L158 HydrophobicContact CZ2-CD2 3.89Å; W85-L158 HydrophobicContact CZ3-CD1 4.13Å; W85-L158 HydrophobicContact CZ3-CD2 3.96Å; L154-L158 HydrophobicContact CB-CD2 4.36Å; L154-L158 HydrophobicContact CD1-CD2 4.18Å; L154-L158 HydrophobicContact CD2-CD2 4.31Å; D155-L158 WeakPolarHBondContact O-CB 3.45Å; D155-L158 PolarHBondContact O-N 2.85Å; W156-L158 PolarHBondContact O-N 3.34Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 3.2Å; L158-Q161 PolarHBondContact O-N 3.02Å; L158-L162 HydrophobicContact CD1-CD1 3.83Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CD2-CD1 4.44Å; L158-L162 HydrophobicContact CG-CD1 3.82Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 WeakPolarHBondContact O-CG 3.16Å; L158-L162 PolarHBondContact O-N 3.44Å
159	Q	98.6	Very high	98.3	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-43.8	176	-64.6	-172.9	37.4	0	0	111.7	M148 L154 D155 W156 Q161 L162 R163	M148-Q159 HydrophobicContact CE-CB 3.74Å; M148-Q159 HydrophobicContact CE-CG 4.07Å; M148-Q159 WeakPolarHBondContact CE-O 3.27Å; M148-Q159 HydrophobicContact CG-CG 4.05Å; M148-Q159 HydrophobicContact SD-CB 4.26Å; M148-Q159 HydrophobicContact SD-CG 4.01Å; L154-Q159 HydrophobicContact CB-CG 4.01Å; L154-Q159 PolarHBondContact O-NE2 3.18Å; D155-Q159 PolarHBondContact O-N 3.34Å; W156-Q159 WeakPolarHBondContact O-CA 3.42Å; W156-Q159 WeakPolarHBondContact O-CB 3.29Å; W156-Q159 PolarHBondContact O-N 3.04Å; Q159-Q161 PolarHBondContact O-N 3.48Å; Q159-L162 PolarHBondContact O-N 3.48Å; Q159-R163 WeakPolarHBondContact O-CB 3.42Å; Q159-R163 PolarHBondContact O-N 2.82Å
160	E	98.3	Very high	98.3	Very high	108 Å²	108	63.6 Å²	63.6	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-44.3	177.1	-72.3	-171.8	101.6	0	0	112.5	W156 L158 L162 R163	W156-E160 VanDerWaalsContact CD1-OE2 3.25Å; W156-E160 HydrophobicContact CD2-CG 4.49Å; W156-E160 HydrophobicContact CZ2-CG 4.2Å; W156-E160 PolarHBondContact NE1-OE2 3.28Å; W156-E160 PolarHBondContact O-N 3.01Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 3.2Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 2.68Å; E160-R163 PolarHBondContact O-N 2.98Å
161	Q	98.7	Very high	98.3	Very high	74 Å²	74	59.8 Å²	59.8	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-34.9	178.2	-69.7	179.7	64.3	0	0	112.7	L83 T84 S157 L158 Q159	L83-Q161 HydrophobicContact CD1-CB 4.17Å; T84-Q161 PolarHBondContact O-NE2 2.96Å; T84-Q161 PolarHBondContact O-OE1 2.75Å; S157-Q161 WeakPolarHBondContact O-CG 3.43Å; S157-Q161 PolarHBondContact O-NE2 3.47Å; L158-Q161 PolarHBondContact O-N 3.02Å; Q159-Q161 PolarHBondContact O-N 3.48Å
162	L	98.7	Very high	98.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-84.6	-21.3	-178.5	-71.5	174.3	0	0	0	113.6	A74 L77 A78 L83 M148 L154 L158 Q159 E160 P164 Y165 M166	A74-L162 HydrophobicContact CB-CD1 3.75Å; L77-L162 HydrophobicContact CB-CD2 3.93Å; A78-L162 HydrophobicContact CB-CD1 4.36Å; A78-L162 HydrophobicContact CB-CD2 4.23Å; L83-L162 HydrophobicContact CD1-CD2 3.68Å; L83-L162 HydrophobicContact CD1-CG 4.1Å; M148-L162 HydrophobicContact CE-CB 4.23Å; M148-L162 HydrophobicContact SD-CB 4.28Å; M148-L162 HydrophobicContact SD-CD1 4.29Å; L154-L162 HydrophobicContact CD1-CD1 4.26Å; L158-L162 HydrophobicContact CD1-CD1 3.83Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CD2-CD1 4.44Å; L158-L162 HydrophobicContact CG-CD1 3.82Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 WeakPolarHBondContact O-CG 3.16Å; L158-L162 PolarHBondContact O-N 3.44Å; Q159-L162 PolarHBondContact O-N 3.48Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 2.68Å; L162-P164 VanDerWaalsContact C-CD 3.44Å; L162-Y165 PolarHBondContact O-N 2.77Å; L162-M166 HydrophobicContact CB-CG 4.03Å; L162-M166 WeakPolarHBondContact O-CG 3.48Å; L162-M166 PolarHBondContact O-N 3.1Å
163	R	98.5	Very high	98.4	Very high	64 Å²	64	57 Å²	57	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-51.3	-44.4	-174.6	-169.1	177.5	-62.5	-87.6	5.2	114.1	E149 Q159 E160 Y165 M166 S167	E149-R163 IonicContact OE2-CZ 2.73Å; E149-R163 VanDerWaalsContact OE2-CZ 3.31Å; E149-R163 IonicContact OE2-NH1 3.72Å; E149-R163 PolarHBondContact OE2-NH1 3.38Å; E149-R163 IonicContact OE2-NH2 3.47Å; E149-R163 PolarHBondContact OE2-NH2 2.96Å; Q159-R163 WeakPolarHBondContact O-CB 3.42Å; Q159-R163 PolarHBondContact O-N 2.82Å; E160-R163 PolarHBondContact O-N 2.98Å; R163-Y165 PolarHBondContact O-N 2.73Å; R163-M166 PolarHBondContact O-N 2.85Å; R163-S167 WeakPolarHBondContact O-CB 3.4Å; R163-S167 PolarHBondContact O-N 2.76Å; R163-S167 PolarHBondContact O-OG 3.13Å
164	P	98.3	Very high	98.4	Very high	98 Å²	98	56.3 Å²	56.3	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-60.7	-30.7	178.7	-23.5	35.3	0	0	0	113.9	L162	L162-P164 VanDerWaalsContact C-CD 3.44Å
165	Y	98.4	Very high	98.4	Very high	113 Å²	113	55.3 Å²	55.3	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-88.3	-39.3	-179.6	-54.2	-85	0	0	0	112	L81 L162 R163 S168	L81-Y165 HydrophobicContact CD1-CD1 4.4Å; L81-Y165 HydrophobicContact CD1-CD2 3.87Å; L81-Y165 HydrophobicContact CD1-CE1 4.14Å; L81-Y165 HydrophobicContact CD1-CE2 3.59Å; L81-Y165 HydrophobicContact CD1-CG 4.26Å; L81-Y165 HydrophobicContact CD2-CE1 4.32Å; L162-Y165 PolarHBondContact O-N 2.77Å; R163-Y165 PolarHBondContact O-N 2.73Å; Y165-S168 PolarHBondContact O-OG 3.38Å
166	M	98.6	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-73.8	-34.8	-176.6	-69.3	-70.9	-76	0	0	112.1	T70 T73 A74 L77 L144 G145 M148 L162 R163 S168 L169	T70-M166 WeakPolarHBondContact O-CE 3.17Å; T73-M166 HydrophobicContact CG2-CE 4.49Å; T73-M166 HydrophobicContact CG2-SD 3.98Å; A74-M166 HydrophobicContact CB-CE 3.93Å; A74-M166 HydrophobicContact CB-SD 4.27Å; L77-M166 HydrophobicContact CD1-CG 4.24Å; L77-M166 HydrophobicContact CD1-SD 3.6Å; L77-M166 VanDerWaalsContact CD1-SD 3.6Å; L144-M166 HydrophobicContact CB-CB 4.33Å; L144-M166 HydrophobicContact CB-CE 3.6Å; L144-M166 WeakPolarHBondContact CB-O 3.43Å; L144-M166 HydrophobicContact CB-SD 4.34Å; L144-M166 HydrophobicContact CD1-CE 4.17Å; G145-M166 PolarHBondContact N-O 2.81Å; M148-M166 HydrophobicContact CB-CE 4.34Å; M148-M166 HydrophobicContact CE-CG 4.42Å; M148-M166 HydrophobicContact SD-CE 4.42Å; M148-M166 HydrophobicContact SD-CG 4.41Å; L162-M166 HydrophobicContact CB-CG 4.03Å; L162-M166 WeakPolarHBondContact O-CG 3.48Å; L162-M166 PolarHBondContact O-N 3.1Å; R163-M166 PolarHBondContact O-N 2.85Å; M166-S168 VanDerWaalsContact C-N 3.27Å; M166-S168 PolarHBondContact O-N 3.2Å; M166-L169 WeakPolarHBondContact O-CB 3.16Å; M166-L169 PolarHBondContact O-N 3.41Å; M166-L169 VanDerWaalsContact O-N 3.1Å; M166-L169 HydrophobicContact SD-CD1 4.43Å
167	S	98.3	Very high	98.4	Very high	45 Å²	45	49 Å²	49	32%	0.315	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.4	-178.5	-75.9	0	0	0	0	115	D143 R163 L169	D143-S167 VanDerWaalsContact OD1-CA 3.31Å; D143-S167 WeakPolarHBondContact OD1-CA 3.23Å; D143-S167 WeakPolarHBondContact OD1-CB 3.42Å; D143-S167 PolarHBondContact OD1-OG 2.88Å; R163-S167 WeakPolarHBondContact O-CB 3.4Å; R163-S167 PolarHBondContact O-N 2.76Å; R163-S167 PolarHBondContact O-OG 3.13Å; S167-L169 VanDerWaalsContact C-N 3.3Å
168	S	97.7	Very high	98.4	Very high	90 Å²	90	50.2 Å²	50.2	63%	0.629	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.1	169.5	54.3	0	0	0	0	113.5	Y165 M166	Y165-S168 PolarHBondContact O-OG 3.38Å; M166-S168 VanDerWaalsContact C-N 3.27Å; M166-S168 PolarHBondContact O-N 3.2Å
169	L	98.5	Very high	98.3	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.246	28%	0.284	C	S	.	.			trans	-93.9	119.8	-178.7	-57.5	174.8	0	0	0	109.1	W64 T73 L77 D143 L144 M166 S167	W64-L169 HydrophobicContact CH2-CB 3.94Å; W64-L169 HydrophobicContact CH2-CD2 4.27Å; W64-L169 HydrophobicContact CZ2-CB 4.26Å; W64-L169 HydrophobicContact CZ2-CD1 4.36Å; T73-L169 HydrophobicContact CG2-CD1 3.78Å; L77-L169 HydrophobicContact CD1-CD1 4.31Å; D143-L169 WeakPolarHBondContact CA-O 3.47Å; L144-L169 HydrophobicContact CB-CB 4.27Å; L144-L169 HydrophobicContact CD1-CB 3.6Å; L144-L169 HydrophobicContact CD1-CD1 3.83Å; L144-L169 HydrophobicContact CD1-CG 4.37Å; L144-L169 HydrophobicContact CG-CB 3.81Å; L144-L169 PolarHBondContact N-O 3.41Å; M166-L169 WeakPolarHBondContact O-CB 3.16Å; M166-L169 PolarHBondContact O-N 3.41Å; M166-L169 VanDerWaalsContact O-N 3.1Å; M166-L169 HydrophobicContact SD-CD1 4.43Å; S167-L169 VanDerWaalsContact C-N 3.3Å
170	K	98.4	Very high	98.2	Very high	143 Å²	143	55.3 Å²	55.3	62%	0.622	28%	0.283	S	S	*	.			trans	-125.1	130.4	-177.6	-65.4	-170.7	179.6	-176.2	0	110.5	D143	D143-K170 HydrophobicContact CB-CG 4.05Å
171	P	98.8	Very high	98.2	Very high	10 Å²	10	51 Å²	51	7%	0.065	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-63.3	142	173.8	-19.4	31.5	0	0	0	112.4	W64 D138 L142 L144 N191	W64-P171 HydrophobicContact CE3-CB 4.45Å; W64-P171 HydrophobicContact CE3-CG 4.49Å; D138-P171 HydrophobicContact CB-CB 3.48Å; D138-P171 VanDerWaalsContact CB-CB 3.48Å; D138-P171 HydrophobicContact CB-CG 3.8Å; L142-P171 WeakPolarHBondContact O-CD 3.26Å; L144-P171 HydrophobicContact CD2-CG 4.33Å; P171-N191 PolarHBondContact O-ND2 2.98Å
172	R	98.8	Very high	98.1	Very high	45 Å²	45	47.6 Å²	47.6	17%	0.17	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-68.8	153.7	168	-62.3	175.8	-176.7	-102.5	-1.1	110.5	D135 G136 W137 D138 S174 N191 D207 D210	D135-R172 IonicContact OD1-NE 2.76Å; D135-R172 PolarHBondContact OD1-NE 3.35Å; D135-R172 IonicContact OD2-CZ 2.73Å; D135-R172 IonicContact OD2-NE 2.81Å; D135-R172 PolarHBondContact OD2-NE 2.73Å; D135-R172 IonicContact OD2-NH2 3.19Å; D135-R172 PolarHBondContact OD2-NH2 2.93Å; G136-R172 WeakPolarHBondContact O-CB 3.43Å; G136-R172 PolarHBondContact O-N 3.01Å; W137-R172 VanDerWaalsContact CA-O 3.31Å; W137-R172 WeakPolarHBondContact CA-O 3.21Å; W137-R172 VanDerWaalsContact CD1-CB 3.44Å; W137-R172 HydrophobicContact CG-CB 4.14Å; D138-R172 PolarHBondContact N-O 3.38Å; D138-R172 VanDerWaalsContact N-O 3.09Å; R172-S174 PolarHBondContact O-N 3.1Å; R172-N191 PolarHBondContact O-ND2 3.02Å; R172-D207 IonicContact NH1-OD1 3.77Å; R172-D210 IonicContact CZ-OD2 2.95Å; R172-D210 IonicContact NH1-OD2 3.21Å; R172-D210 PolarHBondContact NH1-OD2 3.41Å; R172-D210 IonicContact NH2-OD2 2.66Å; R172-D210 PolarHBondContact NH2-OD2 3.32Å
173	P	98.8	Very high	97.9	Very high	51 Å²	51	51.5 Å²	51.5	33%	0.331	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-59.4	135.6	175	-19.3	29.8	0	0	0	111.6	W137 N191 L193	W137-P173 VanDerWaalsContact CD1-O 3.31Å; P173-N191 CarbonylContact C-O 3.52Å; P173-N191 VanDerWaalsContact CA-O 3.29Å; P173-N191 WeakPolarHBondContact CA-O 3.28Å; P173-N191 WeakPolarHBondContact CG-OD1 3.2Å; P173-L193 HydrophobicContact CB-CD2 3.87Å; P173-L193 HydrophobicContact CB-CG 4.24Å
174	S	98.8	Very high	97.6	Very high	6 Å²	6	51 Å²	51	4%	0.042	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-107.4	163.1	-175	-171.1	0	0	0	0	112.7	R172 N191 V192 L193	R172-S174 PolarHBondContact O-N 3.1Å; S174-N191 PolarHBondContact N-O 2.95Å; S174-V192 CarbonylContact O-C 3.6Å; S174-V192 VanDerWaalsContact O-CA 3.27Å; S174-V192 WeakPolarHBondContact O-CA 3.34Å; S174-L193 PolarHBondContact O-N 3.1Å
175	I	98.8	Very high	97.5	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.251	C	S	.	.			trans	-66.3	131.7	165.3	-58.6	-178.6	0	0	0	109	I177 L193 Q200 I204 P258 L261 F262	I175-I177 HydrophobicContact CG2-CD1 4.28Å; I175-I177 HydrophobicContact CG2-CG1 4.11Å; I175-L193 HydrophobicContact CG1-CD1 4.08Å; I175-Q200 HydrophobicContact CD1-CB 4.08Å; I175-Q200 HydrophobicContact CG1-CB 4.07Å; I175-I204 HydrophobicContact CD1-CG1 3.93Å; I175-I204 HydrophobicContact CG1-CD1 4.37Å; I175-I204 HydrophobicContact CG1-CG1 4.28Å; I175-P258 HydrophobicContact CB-CB 4.24Å; I175-P258 HydrophobicContact CG2-CB 3.75Å; I175-P258 HydrophobicContact CG2-CG 3.98Å; I175-L261 HydrophobicContact CD1-CB 3.84Å; I175-L261 HydrophobicContact CD1-CD1 3.82Å; I175-L261 HydrophobicContact CD1-CG 4.49Å; I175-L261 HydrophobicContact CG2-CD1 4.2Å; I175-F262 HydrophobicContact CB-CE2 4.08Å; I175-F262 HydrophobicContact CD1-CD2 4.49Å; I175-F262 HydrophobicContact CD1-CE2 4.22Å; I175-F262 HydrophobicContact CG1-CE2 4.14Å
176	Y	98.4	Very high	97.4	Very high	47 Å²	47	47.6 Å²	47.6	18%	0.184	26%	0.261	C	S	.	.			trans	-132	115.9	172.9	175.8	-130.5	0	0	0	109.8	I139 P178 I181 A189 V192	I139-Y176 HydrophobicContact CD1-CD2 4.45Å; I139-Y176 HydrophobicContact CG2-CG 4.5Å; Y176-P178 HydrophobicContact CD1-CG 4.37Å; Y176-P178 HydrophobicContact CE1-CB 4.49Å; Y176-P178 HydrophobicContact CE1-CG 3.76Å; Y176-P178 HydrophobicContact CE2-CB 4.4Å; Y176-P178 HydrophobicContact CE2-CG 4.33Å; Y176-I181 HydrophobicContact CD2-CD1 4.08Å; Y176-I181 HydrophobicContact CE2-CD1 3.69Å; Y176-I181 HydrophobicContact CE2-CG1 3.99Å; Y176-A189 HydrophobicContact CD1-CB 3.62Å; Y176-A189 HydrophobicContact CD2-CB 4.41Å; Y176-A189 HydrophobicContact CE1-CB 3.6Å; Y176-A189 HydrophobicContact CE2-CB 4.44Å; Y176-A189 HydrophobicContact CG-CB 4.03Å; Y176-V192 HydrophobicContact CD1-CG1 4.11Å; Y176-V192 HydrophobicContact CG-CG1 4.16Å
177	I	97.6	Very high	97.2	Very high	33 Å²	33	53 Å²	53	17%	0.169	30%	0.299	C	S	.	.			trans	-121.3	103	173.8	-58.6	177.5	0	0	0	106.2	I175 E179 F180 M197 P258 L261	I175-I177 HydrophobicContact CG2-CD1 4.28Å; I175-I177 HydrophobicContact CG2-CG1 4.11Å; I177-E179 WeakPolarHBondContact CG2-OE2 3.45Å; I177-E179 PolarHBondContact O-N 3.32Å; I177-E179 VanDerWaalsContact O-N 3.08Å; I177-F180 HydrophobicContact CB-CD2 3.84Å; I177-F180 HydrophobicContact CB-CE2 4.43Å; I177-F180 HydrophobicContact CG2-CD2 3.52Å; I177-F180 HydrophobicContact CG2-CE2 3.82Å; I177-F180 PolarHBondContact O-N 2.94Å; I177-F180 VanDerWaalsContact O-N 3.14Å; I177-M197 HydrophobicContact CD1-CE 4.16Å; I177-P258 HydrophobicContact CB-CG 3.87Å; I177-P258 HydrophobicContact CD1-CG 3.94Å; I177-P258 HydrophobicContact CG1-CG 3.9Å; I177-L261 HydrophobicContact CD1-CD1 4.45Å
178	P	96.6	Very high	97.1	Very high	60 Å²	60	52.4 Å²	52.4	39%	0.39	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-52.5	-34.1	-169.3	-28	33.2	0	0	0	114.6	Y176 F180 I181	Y176-P178 HydrophobicContact CD1-CG 4.37Å; Y176-P178 HydrophobicContact CE1-CB 4.49Å; Y176-P178 HydrophobicContact CE1-CG 3.76Å; Y176-P178 HydrophobicContact CE2-CB 4.4Å; Y176-P178 HydrophobicContact CE2-CG 4.33Å; P178-F180 PolarHBondContact O-N 3.25Å; P178-I181 PolarHBondContact O-N 3.06Å; P178-I181 VanDerWaalsContact O-O 3.09Å
179	E	96.3	Very high	97.1	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.561	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.3	-174.9	-60.4	74.8	-163.3	0	0	113.6	I177 R230	I177-E179 WeakPolarHBondContact CG2-OE2 3.45Å; I177-E179 PolarHBondContact O-N 3.32Å; I177-E179 VanDerWaalsContact O-N 3.08Å; E179-R230 PolarHBondContact O-NE 2.79Å
180	F	97.8	Very high	97.1	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-91.4	-24.8	-177.8	-77	-76.7	0	0	0	114	I177 P178 E229 R230 C232 A254 P258 Q346	I177-F180 HydrophobicContact CB-CD2 3.84Å; I177-F180 HydrophobicContact CB-CE2 4.43Å; I177-F180 HydrophobicContact CG2-CD2 3.52Å; I177-F180 HydrophobicContact CG2-CE2 3.82Å; I177-F180 PolarHBondContact O-N 2.94Å; I177-F180 VanDerWaalsContact O-N 3.14Å; P178-F180 PolarHBondContact O-N 3.25Å; F180-E229 HydrophobicContact CB-CB 4.29Å; F180-E229 HydrophobicContact CB-CG 4.25Å; F180-E229 CarbonylContact O-C 3.43Å; F180-E229 WeakPolarHBondContact O-CA 3.48Å; F180-R230 HydrophobicContact CD1-CG 3.93Å; F180-R230 PolarHBondContact O-N 3.32Å; F180-C232 WeakPolarHBondContact CE1-SG 3.49Å; F180-A254 VanDerWaalsContact CZ-O 3.27Å; F180-A254 WeakPolarHBondContact CZ-O 3.38Å; F180-P258 HydrophobicContact CD2-CG 4.49Å; F180-Q346 PolarHBondContact O-NE2 2.92Å
181	I	97.9	Very high	97.1	Very high	18 Å²	18	46 Å²	46	9%	0.092	26%	0.258	C	S	.	.	S	Bend	trans	-119.7	174.2	-178.1	66.9	176.3	0	0	0	111.2	I139 Y176 P178 A183 Q185 N227 E229 Q346	I139-I181 HydrophobicContact CD1-CD1 4.13Å; Y176-I181 HydrophobicContact CD2-CD1 4.08Å; Y176-I181 HydrophobicContact CE2-CD1 3.69Å; Y176-I181 HydrophobicContact CE2-CG1 3.99Å; P178-I181 PolarHBondContact O-N 3.06Å; P178-I181 VanDerWaalsContact O-O 3.09Å; I181-A183 PolarHBondContact O-N 3.18Å; I181-Q185 HydrophobicContact CD1-CB 3.66Å; I181-Q185 HydrophobicContact CD1-CG 3.94Å; I181-Q185 HydrophobicContact CG1-CB 4.21Å; I181-Q185 HydrophobicContact CG1-CG 4.32Å; I181-N227 HydrophobicContact CB-CB 4.45Å; I181-N227 HydrophobicContact CG2-CB 3.97Å; I181-E229 HydrophobicContact CG2-CG 3.98Å; I181-Q346 PolarHBondContact O-NE2 3.03Å
182	A	96	Very high	97.1	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	27%	0.271	C	S	.	.			trans	-65.1	136.3	-179.7	0	0	0	0	0	111	N184 Q185 N340 A343	A182-N184 WeakPolarHBondContact CB-OD1 3.49Å; A182-N184 PolarHBondContact O-N 3.21Å; A182-Q185 HydrophobicContact CB-CG 4.41Å; A182-Q185 VanDerWaalsContact O-CB 3.3Å; A182-Q185 WeakPolarHBondContact O-CB 3.34Å; A182-Q185 VanDerWaalsContact O-CG 3.28Å; A182-Q185 WeakPolarHBondContact O-CG 3.47Å; A182-Q185 PolarHBondContact O-N 3Å; A182-N340 WeakPolarHBondContact CB-O 3.28Å; A182-N340 WeakPolarHBondContact CB-OD1 3.31Å; A182-N340 PolarHBondContact N-OD1 3.45Å; A182-A343 HydrophobicContact CB-CB 3.77Å
183	A	94.9	Very high	97.1	Very high	82 Å²	82	47.4 Å²	47.4	68%	0.678	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-55.4	-25	177.6	0	0	0	0	0	113.2	I181 Q185 E186	I181-A183 PolarHBondContact O-N 3.18Å; A183-Q185 PolarHBondContact O-N 3.26Å; A183-E186 WeakPolarHBondContact O-CB 3.14Å; A183-E186 PolarHBondContact O-N 3.45Å; A183-E186 VanDerWaalsContact O-N 3.12Å
184	N	93.1	Very high	97	Very high	52 Å²	52	50.9 Å²	50.9	28%	0.278	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-68.8	1.2	175.7	69	29.7	0	0	0	115	A182 K339 S342	A182-N184 WeakPolarHBondContact CB-OD1 3.49Å; A182-N184 PolarHBondContact O-N 3.21Å; N184-K339 PolarHBondContact ND2-O 2.99Å; N184-K339 PolarHBondContact O-NZ 2.63Å; N184-S342 PolarHBondContact ND2-OG 3.46Å
185	Q	96.4	Very high	96.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-93.7	-10.7	172.8	-56.7	-60.2	-61.8	0	0	113	I181 A182 A183 S187 R188 N227 N336	I181-Q185 HydrophobicContact CD1-CB 3.66Å; I181-Q185 HydrophobicContact CD1-CG 3.94Å; I181-Q185 HydrophobicContact CG1-CB 4.21Å; I181-Q185 HydrophobicContact CG1-CG 4.32Å; A182-Q185 HydrophobicContact CB-CG 4.41Å; A182-Q185 VanDerWaalsContact O-CB 3.3Å; A182-Q185 WeakPolarHBondContact O-CB 3.34Å; A182-Q185 VanDerWaalsContact O-CG 3.28Å; A182-Q185 WeakPolarHBondContact O-CG 3.47Å; A182-Q185 PolarHBondContact O-N 3Å; A183-Q185 PolarHBondContact O-N 3.26Å; Q185-S187 VanDerWaalsContact C-N 3.33Å; Q185-S187 PolarHBondContact O-N 3.43Å; Q185-R188 VanDerWaalsContact O-CB 3.3Å; Q185-R188 WeakPolarHBondContact O-CB 3.27Å; Q185-R188 PolarHBondContact O-N 3.32Å; Q185-N227 PolarHBondContact OE1-ND2 3.07Å; Q185-N336 PolarHBondContact NE2-OD1 2.95Å; Q185-N336 PolarHBondContact OE1-ND2 2.85Å; Q185-N336 PolarHBondContact OE1-OD1 3.5Å
186	E	95.3	Very high	96.9	Very high	139 Å²	139	56.4 Å²	56.4	65%	0.65	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-53	-47.1	-176.2	-176.7	-178.6	-174.4	0	0	112.6	A183 R188 A189	A183-E186 WeakPolarHBondContact O-CB 3.14Å; A183-E186 PolarHBondContact O-N 3.45Å; A183-E186 VanDerWaalsContact O-N 3.12Å; E186-R188 PolarHBondContact O-N 2.94Å; E186-R188 VanDerWaalsContact O-N 3.09Å; E186-A189 PolarHBondContact O-N 2.96Å
187	S	95.3	Very high	96.9	Very high	113 Å²	113	55.3 Å²	55.3	79%	0.79	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-68.1	-10.3	179.7	62.2	0	0	0	0	114.8	Q185	Q185-S187 VanDerWaalsContact C-N 3.33Å; Q185-S187 PolarHBondContact O-N 3.43Å
188	R	95.9	Very high	96.9	Very high	33 Å²	33	54.3 Å²	54.3	13%	0.125	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-89.9	-17	175.2	-174.4	178	-179.7	-73.4	-4.4	111.9	D138 S140 R150 Q185 E186 D190	D138-R188 VanDerWaalsContact CG-NH2 3.31Å; D138-R188 IonicContact OD1-CZ 2.89Å; D138-R188 IonicContact OD1-NH1 2.83Å; D138-R188 PolarHBondContact OD1-NH1 3.22Å; D138-R188 IonicContact OD1-NH2 3.55Å; D138-R188 PolarHBondContact OD1-NH2 3.2Å; D138-R188 IonicContact OD2-CZ 2.82Å; D138-R188 IonicContact OD2-NH1 3.65Å; D138-R188 IonicContact OD2-NH2 3.77Å; D138-R188 PolarHBondContact OD2-NH2 3.29Å; S140-R188 WeakPolarHBondContact CA-O 3.48Å; R150-R188 VanDerWaalsContact NH2-NH2 3.15Å; Q185-R188 VanDerWaalsContact O-CB 3.3Å; Q185-R188 WeakPolarHBondContact O-CB 3.27Å; Q185-R188 PolarHBondContact O-N 3.32Å; E186-R188 PolarHBondContact O-N 2.94Å; E186-R188 VanDerWaalsContact O-N 3.09Å; R188-D190 PolarHBondContact O-N 2.95Å
189	A	97.5	Very high	97	Very high	21 Å²	21	57 Å²	57	17%	0.174	34%	0.335	C	S	.	.			trans	-88.9	78.8	-172.4	0	0	0	0	0	111.9	I139 Y176 E186 V192	I139-A189 HydrophobicContact CB-CB 4.27Å; I139-A189 HydrophobicContact CD1-CB 4.23Å; I139-A189 CarbonylContact O-C 3.53Å; I139-A189 VanDerWaalsContact O-CA 3.27Å; I139-A189 WeakPolarHBondContact O-CA 3.36Å; Y176-A189 HydrophobicContact CD1-CB 3.62Å; Y176-A189 HydrophobicContact CD2-CB 4.41Å; Y176-A189 HydrophobicContact CE1-CB 3.6Å; Y176-A189 HydrophobicContact CE2-CB 4.44Å; Y176-A189 HydrophobicContact CG-CB 4.03Å; E186-A189 PolarHBondContact O-N 2.96Å; A189-V192 HydrophobicContact CB-CG1 4.03Å
190	D	98.3	Very high	97.1	Very high	98 Å²	98	52.3 Å²	52.3	52%	0.524	31%	0.313	S	S	.	.			trans	-112.6	1.6	178	69.1	-19.4	0	0	0	113.8	I139 S140 S141 R188	I139-D190 PolarHBondContact O-N 2.8Å; S140-D190 VanDerWaalsContact CA-OD1 3.25Å; S140-D190 WeakPolarHBondContact CA-OD1 3.44Å; S141-D190 WeakPolarHBondContact CB-OD1 3.45Å; S141-D190 WeakPolarHBondContact CB-OD2 3.33Å; S141-D190 PolarHBondContact N-OD1 2.84Å; S141-D190 VanDerWaalsContact OG-CG 3.31Å; S141-D190 PolarHBondContact OG-OD1 2.76Å; S141-D190 PolarHBondContact OG-OD2 2.7Å; R188-D190 PolarHBondContact O-N 2.95Å
191	N	98.6	Very high	97.2	Very high	26 Å²	26	52.7 Å²	52.7	14%	0.139	32%	0.315	C	S	.	.	S	Bend	trans	-132.3	68.5	-177	-167.3	38.5	0	0	0	110.4	D138 I139 P171 R172 P173 S174	D138-N191 PolarHBondContact O-ND2 3.16Å; I139-N191 WeakPolarHBondContact O-CB 3.29Å; I139-N191 PolarHBondContact O-N 3.39Å; P171-N191 PolarHBondContact O-ND2 2.98Å; R172-N191 PolarHBondContact O-ND2 3.02Å; P173-N191 CarbonylContact C-O 3.52Å; P173-N191 VanDerWaalsContact CA-O 3.29Å; P173-N191 WeakPolarHBondContact CA-O 3.28Å; P173-N191 WeakPolarHBondContact CG-OD1 3.2Å; S174-N191 PolarHBondContact N-O 2.95Å
192	V	98.6	Very high	97.2	Very high	56 Å²	56	55.2 Å²	55.2	34%	0.339	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-118.7	145.9	-169.3	-58.4	0	0	0	0	112.4	I139 S174 Y176 A189	I139-V192 HydrophobicContact CB-CG1 4.31Å; I139-V192 HydrophobicContact CG2-CG1 4.45Å; S174-V192 CarbonylContact O-C 3.6Å; S174-V192 VanDerWaalsContact O-CA 3.27Å; S174-V192 WeakPolarHBondContact O-CA 3.34Å; Y176-V192 HydrophobicContact CD1-CG1 4.11Å; Y176-V192 HydrophobicContact CG-CG1 4.16Å; A189-V192 HydrophobicContact CB-CG1 4.03Å
193	L	98.5	Very high	97.4	Very high	30 Å²	30	59 Å²	59	16%	0.157	34%	0.344	C	S	.	.			trans	-73.9	152.4	170.2	-65.2	175.3	0	0	0	110.7	P173 S174 I175 Q200 Q203 I204	P173-L193 HydrophobicContact CB-CD2 3.87Å; P173-L193 HydrophobicContact CB-CG 4.24Å; S174-L193 PolarHBondContact O-N 3.1Å; I175-L193 HydrophobicContact CG1-CD1 4.08Å; L193-Q200 HydrophobicContact CB-CG 4Å; L193-Q203 HydrophobicContact CD1-CB 4.15Å; L193-Q203 HydrophobicContact CD1-CG 4.08Å; L193-Q203 HydrophobicContact CD2-CB 4.47Å; L193-Q203 HydrophobicContact CD2-CG 3.74Å; L193-I204 HydrophobicContact CD1-CD1 3.78Å
194	T	97.2	Very high	97.5	Very high	123 Å²	123	55.1 Å²	55.1	76%	0.755	31%	0.312	S	S	*	.			trans	-121.5	169.7	177.6	61.9	0	0	0	0	110
195	G	97.3	Very high	97.8	Very high	48 Å²	48	55.2 Å²	55.2	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	95.1	-173.9	-175.8	0	0	0	0	0	113	E199 Q200	G195-E199 WeakPolarHBondContact CA-OE2 3.14Å; G195-Q200 PolarHBondContact O-NE2 3.13Å
196	T	98.3	Very high	97.9	Very high	80 Å²	80	56.7 Å²	56.7	49%	0.491	32%	0.321	S	S	.	.			trans	-67.4	160.2	178.9	62.5	0	0	0	0	111.9	A198 E199 Q200	T196-A198 PolarHBondContact O-N 3.48Å; T196-E199 PolarHBondContact N-OE2 3.42Å; T196-E199 PolarHBondContact O-N 3.27Å; T196-E199 VanDerWaalsContact O-N 3.11Å; T196-E199 VanDerWaalsContact OG1-CD 3.32Å; T196-E199 VanDerWaalsContact OG1-CG 3.26Å; T196-E199 WeakPolarHBondContact OG1-CG 3.44Å; T196-E199 PolarHBondContact OG1-N 2.88Å; T196-E199 PolarHBondContact OG1-OE2 3.09Å; T196-Q200 WeakPolarHBondContact O-CG 3.34Å; T196-Q200 PolarHBondContact O-N 3.42Å
197	M	97.7	Very high	98.1	Very high	24 Å²	24	50.7 Å²	50.7	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-53.6	-39.2	176	-172.2	-179.4	-78.6	0	0	112.7	I177 M201 I249 I256 L261	I177-M197 HydrophobicContact CD1-CE 4.16Å; M197-M201 WeakPolarHBondContact O-CB 3.43Å; M197-M201 PolarHBondContact O-N 3.36Å; M197-I249 HydrophobicContact CG-CG2 4.22Å; M197-I249 HydrophobicContact SD-CB 4.48Å; M197-I249 HydrophobicContact SD-CG1 4.38Å; M197-I256 HydrophobicContact CE-CB 4.11Å; M197-I256 HydrophobicContact CE-CG2 4.41Å; M197-I256 HydrophobicContact SD-CB 3.96Å; M197-I256 HydrophobicContact SD-CD1 4.46Å; M197-I256 HydrophobicContact SD-CG2 3.85Å; M197-L261 HydrophobicContact CE-CD1 4.44Å; M197-L261 HydrophobicContact CG-CD1 3.47Å; M197-L261 VanDerWaalsContact CG-CD1 3.47Å; M197-L261 HydrophobicContact CG-CD2 3.44Å; M197-L261 VanDerWaalsContact CG-CD2 3.44Å; M197-L261 HydrophobicContact CG-CG 4.06Å; M197-L261 HydrophobicContact SD-CD1 4.19Å; M197-L261 HydrophobicContact SD-CD2 3.74Å; M197-L261 HydrophobicContact SD-CG 4.42Å
198	A	98.3	Very high	98.3	Very high	12 Å²	12	45.5 Å²	45.5	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-43.7	176.8	0	0	0	0	0	112.9	T196 Q200 M201 E202 I249	T196-A198 PolarHBondContact O-N 3.48Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; A198-M201 PolarHBondContact O-N 2.9Å; A198-E202 PolarHBondContact O-N 3.02Å; A198-I249 HydrophobicContact CB-CG2 4.41Å
199	E	98.7	Very high	98.4	Very high	116 Å²	116	48.9 Å²	48.9	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.4	-72.4	165.3	144.1	0	0	111.3	G195 T196 E202 Q203	G195-E199 WeakPolarHBondContact CA-OE2 3.14Å; T196-E199 PolarHBondContact N-OE2 3.42Å; T196-E199 PolarHBondContact O-N 3.27Å; T196-E199 VanDerWaalsContact O-N 3.11Å; T196-E199 VanDerWaalsContact OG1-CD 3.32Å; T196-E199 VanDerWaalsContact OG1-CG 3.26Å; T196-E199 WeakPolarHBondContact OG1-CG 3.44Å; T196-E199 PolarHBondContact OG1-N 2.88Å; T196-E199 PolarHBondContact OG1-OE2 3.09Å; E199-E202 PolarHBondContact O-N 2.93Å; E199-Q203 PolarHBondContact O-N 2.8Å
200	Q	98.7	Very high	98.5	Very high	22 Å²	22	50.2 Å²	50.2	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-44.7	176.8	-67.1	-178.9	24.6	0	0	111.8	I175 L193 G195 T196 A198 E202 Q203 I204	I175-Q200 HydrophobicContact CD1-CB 4.08Å; I175-Q200 HydrophobicContact CG1-CB 4.07Å; L193-Q200 HydrophobicContact CB-CG 4Å; G195-Q200 PolarHBondContact O-NE2 3.13Å; T196-Q200 WeakPolarHBondContact O-CG 3.34Å; T196-Q200 PolarHBondContact O-N 3.42Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; Q200-E202 VanDerWaalsContact C-N 3.34Å; Q200-E202 PolarHBondContact O-N 3.44Å; Q200-Q203 WeakPolarHBondContact O-CB 3.44Å; Q200-Q203 PolarHBondContact O-N 3.45Å; Q200-I204 WeakPolarHBondContact O-CG1 3.49Å; Q200-I204 PolarHBondContact O-N 2.95Å; Q200-I204 VanDerWaalsContact O-N 3.1Å
201	M	98.6	Very high	98.5	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.049	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-42.5	174.7	-175.9	-165.2	66.8	0	0	111.6	M197 A198 Q203 I204 R205 I249 L261 V264 A265 L268	M197-M201 WeakPolarHBondContact O-CB 3.43Å; M197-M201 PolarHBondContact O-N 3.36Å; A198-M201 PolarHBondContact O-N 2.9Å; M201-Q203 VanDerWaalsContact C-N 3.29Å; M201-Q203 PolarHBondContact O-N 3.47Å; M201-I204 WeakPolarHBondContact O-CB 3.44Å; M201-I204 PolarHBondContact O-N 2.55Å; M201-R205 WeakPolarHBondContact O-CG 3.39Å; M201-R205 PolarHBondContact O-N 2.57Å; M201-I249 HydrophobicContact CE-CG2 4.21Å; M201-I249 HydrophobicContact SD-CD1 3.88Å; M201-I249 HydrophobicContact SD-CG2 3.98Å; M201-L261 HydrophobicContact CB-CD2 4.44Å; M201-V264 HydrophobicContact SD-CB 4.23Å; M201-V264 HydrophobicContact SD-CG1 3.6Å; M201-V264 VanDerWaalsContact SD-CG1 3.6Å; M201-A265 HydrophobicContact CG-CB 3.94Å; M201-L268 HydrophobicContact CE-CD1 4.3Å; M201-L268 HydrophobicContact SD-CD1 4.45Å
202	E	98.8	Very high	98.5	Very high	72 Å²	72	50.6 Å²	50.6	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-34.7	176.9	-174.9	57.2	-151.1	0	0	112	A198 E199 Q200 R205 A206 R209	A198-E202 PolarHBondContact O-N 3.02Å; E199-E202 PolarHBondContact O-N 2.93Å; Q200-E202 VanDerWaalsContact C-N 3.34Å; Q200-E202 PolarHBondContact O-N 3.44Å; E202-R205 WeakPolarHBondContact O-CB 3.38Å; E202-R205 PolarHBondContact O-N 2.94Å; E202-R205 WeakPolarHBondContact OE2-CD 3.46Å; E202-R205 IonicContact OE2-CZ 2.95Å; E202-R205 IonicContact OE2-NE 2.82Å; E202-R205 IonicContact OE2-NH1 3.8Å; E202-R205 PolarHBondContact OE2-NH1 3.24Å; E202-A206 PolarHBondContact O-N 2.85Å; E202-R209 IonicContact OE1-CZ 3.9Å; E202-R209 IonicContact OE1-NH2 2.78Å; E202-R209 PolarHBondContact OE1-NH2 2.94Å
203	Q	98.9	Very high	98.5	Very high	82 Å²	82	56.6 Å²	56.6	38%	0.383	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-41.3	172.3	-174.6	59.1	53.3	0	0	111.8	L193 E199 Q200 M201 R205 A206 D207	L193-Q203 HydrophobicContact CD1-CB 4.15Å; L193-Q203 HydrophobicContact CD1-CG 4.08Å; L193-Q203 HydrophobicContact CD2-CB 4.47Å; L193-Q203 HydrophobicContact CD2-CG 3.74Å; E199-Q203 PolarHBondContact O-N 2.8Å; Q200-Q203 WeakPolarHBondContact O-CB 3.44Å; Q200-Q203 PolarHBondContact O-N 3.45Å; M201-Q203 VanDerWaalsContact C-N 3.29Å; M201-Q203 PolarHBondContact O-N 3.47Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.11Å; Q203-A206 WeakPolarHBondContact O-CB 3.49Å; Q203-A206 PolarHBondContact O-N 3.01Å; Q203-A206 VanDerWaalsContact O-N 3.14Å; Q203-D207 PolarHBondContact NE2-OD1 3.17Å; Q203-D207 VanDerWaalsContact O-CG 3.3Å; Q203-D207 PolarHBondContact O-N 2.94Å
204	I	98.9	Very high	98.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-42.1	173.7	-60	-47.5	0	0	0	111	W137 I175 L193 Q200 M201 A206 D207 I208 F262 A265	W137-I204 HydrophobicContact CG-CD1 4.47Å; W137-I204 HydrophobicContact CH2-CG2 4.28Å; W137-I204 HydrophobicContact CZ2-CG2 4Å; I175-I204 HydrophobicContact CD1-CG1 3.93Å; I175-I204 HydrophobicContact CG1-CD1 4.37Å; I175-I204 HydrophobicContact CG1-CG1 4.28Å; L193-I204 HydrophobicContact CD1-CD1 3.78Å; Q200-I204 WeakPolarHBondContact O-CG1 3.49Å; Q200-I204 PolarHBondContact O-N 2.95Å; Q200-I204 VanDerWaalsContact O-N 3.1Å; M201-I204 WeakPolarHBondContact O-CB 3.44Å; M201-I204 PolarHBondContact O-N 2.55Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.28Å; I204-D207 PolarHBondContact O-N 2.92Å; I204-I208 HydrophobicContact CG2-CD1 4.23Å; I204-I208 WeakPolarHBondContact O-CG1 3.38Å; I204-I208 PolarHBondContact O-N 3.39Å; I204-F262 HydrophobicContact CB-CE1 4.45Å; I204-F262 HydrophobicContact CD1-CD1 4.35Å; I204-F262 HydrophobicContact CD1-CE1 3.48Å; I204-F262 VanDerWaalsContact CD1-CE1 3.48Å; I204-F262 HydrophobicContact CD1-CZ 3.58Å; I204-F262 HydrophobicContact CG1-CD1 4.2Å; I204-F262 HydrophobicContact CG1-CE1 3.8Å; I204-F262 HydrophobicContact CG1-CZ 4.07Å; I204-F262 HydrophobicContact CG2-CD1 3.59Å; I204-F262 HydrophobicContact CG2-CE1 3.75Å; I204-A265 HydrophobicContact CB-CB 3.96Å; I204-A265 HydrophobicContact CG2-CB 3.65Å
205	R	98.9	Very high	98.5	Very high	54 Å²	54	54 Å²	54	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-39.8	174.8	-64.5	176.6	63.5	-156.4	3	112.2	M201 E202 Q203 R209 A265 E269	M201-R205 WeakPolarHBondContact O-CG 3.39Å; M201-R205 PolarHBondContact O-N 2.57Å; E202-R205 WeakPolarHBondContact O-CB 3.38Å; E202-R205 PolarHBondContact O-N 2.94Å; E202-R205 WeakPolarHBondContact OE2-CD 3.46Å; E202-R205 IonicContact OE2-CZ 2.95Å; E202-R205 IonicContact OE2-NE 2.82Å; E202-R205 IonicContact OE2-NH1 3.8Å; E202-R205 PolarHBondContact OE2-NH1 3.24Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.11Å; R205-R209 WeakPolarHBondContact O-CG 3.35Å; R205-R209 PolarHBondContact O-N 2.87Å; R205-R209 PolarHBondContact O-NE 3.26Å; R205-R209 VanDerWaalsContact O-NE 3.1Å; R205-A265 HydrophobicContact CG-CB 3.7Å; R205-E269 HydrophobicContact CB-CG 3.89Å; R205-E269 HydrophobicContact CG-CG 3.98Å; R205-E269 IonicContact CZ-OE1 3.31Å; R205-E269 IonicContact NE-OE1 2.75Å; R205-E269 PolarHBondContact NE-OE1 3.24Å; R205-E269 IonicContact NH2-OE1 2.94Å; R205-E269 PolarHBondContact NH2-OE1 3.09Å
206	A	98.9	Very high	98.5	Very high	32 Å²	32	53.9 Å²	53.9	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-41.1	174.8	0	0	0	0	0	111.9	E202 Q203 I204 R209 D210	E202-A206 PolarHBondContact O-N 2.85Å; Q203-A206 WeakPolarHBondContact O-CB 3.49Å; Q203-A206 PolarHBondContact O-N 3.01Å; Q203-A206 VanDerWaalsContact O-N 3.14Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.28Å; A206-R209 PolarHBondContact O-N 2.99Å; A206-D210 WeakPolarHBondContact O-CB 3.4Å; A206-D210 PolarHBondContact O-N 3.43Å
207	D	98.9	Very high	98.6	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-41.6	177.4	-72.4	-19.9	0	0	0	112.2	W137 R172 Q203 I204 D210 F211	W137-D207 HydrophobicContact CZ2-CB 3.67Å; W137-D207 PolarHBondContact NE1-OD2 3.43Å; R172-D207 IonicContact NH1-OD1 3.77Å; Q203-D207 PolarHBondContact NE2-OD1 3.17Å; Q203-D207 VanDerWaalsContact O-CG 3.3Å; Q203-D207 PolarHBondContact O-N 2.94Å; I204-D207 PolarHBondContact O-N 2.92Å; D207-D210 PolarHBondContact O-N 3.45Å; D207-F211 WeakPolarHBondContact O-CB 3.35Å; D207-F211 PolarHBondContact O-N 2.73Å
208	I	98.9	Very high	98.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-47.2	174.7	-69	167.3	0	0	0	110.7	M60 W137 I204 F211 R212 V220 V222 E269 C271	M60-I208 HydrophobicContact SD-CB 4.39Å; M60-I208 HydrophobicContact SD-CG1 3.94Å; W137-I208 HydrophobicContact CH2-CD1 4.49Å; W137-I208 HydrophobicContact CH2-CG1 3.86Å; W137-I208 HydrophobicContact CZ2-CG1 4.19Å; I204-I208 HydrophobicContact CG2-CD1 4.23Å; I204-I208 WeakPolarHBondContact O-CG1 3.38Å; I204-I208 PolarHBondContact O-N 3.39Å; I208-F211 PolarHBondContact O-N 3.12Å; I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 PolarHBondContact O-N 3.49Å; I208-V220 HydrophobicContact CG2-CG1 4.48Å; I208-V222 HydrophobicContact CD1-CG2 4.08Å; I208-V222 HydrophobicContact CG1-CG2 4.41Å; I208-E269 HydrophobicContact CB-CG 4.44Å; I208-E269 HydrophobicContact CD1-CG 4.46Å; I208-E269 HydrophobicContact CG2-CB 3.95Å; I208-E269 HydrophobicContact CG2-CG 4.32Å; I208-C271 VanDerWaalsContact CG2-SG 3.6Å
209	R	98.9	Very high	98.6	Very high	105 Å²	105	53.6 Å²	53.6	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-41.6	177.6	-71.1	176.9	-71	177.6	-5.5	112	E202 R205 A206 R213 E269	E202-R209 IonicContact OE1-CZ 3.9Å; E202-R209 IonicContact OE1-NH2 2.78Å; E202-R209 PolarHBondContact OE1-NH2 2.94Å; R205-R209 WeakPolarHBondContact O-CG 3.35Å; R205-R209 PolarHBondContact O-N 2.87Å; R205-R209 PolarHBondContact O-NE 3.26Å; R205-R209 VanDerWaalsContact O-NE 3.1Å; A206-R209 PolarHBondContact O-N 2.99Å; R209-R213 WeakPolarHBondContact O-CB 3.44Å; R209-R213 PolarHBondContact O-N 3.14Å; R209-E269 WeakPolarHBondContact CD-OE2 3.45Å; R209-E269 WeakPolarHBondContact CG-OE2 3.49Å; R209-E269 IonicContact NE-OE2 3.87Å
210	D	98.8	Very high	98.6	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-46.5	177.1	178.1	63.3	0	0	0	112	R172 A206 D207 R212 R213 S214	R172-D210 IonicContact CZ-OD2 2.95Å; R172-D210 IonicContact NH1-OD2 3.21Å; R172-D210 PolarHBondContact NH1-OD2 3.41Å; R172-D210 IonicContact NH2-OD2 2.66Å; R172-D210 PolarHBondContact NH2-OD2 3.32Å; A206-D210 WeakPolarHBondContact O-CB 3.4Å; A206-D210 PolarHBondContact O-N 3.43Å; D207-D210 PolarHBondContact O-N 3.45Å; D210-R212 PolarHBondContact O-N 2.79Å; D210-R213 PolarHBondContact O-N 3.4Å; D210-R213 IonicContact OD1-CZ 3.81Å; D210-R213 IonicContact OD1-NH2 2.75Å; D210-R213 PolarHBondContact OD1-NH2 2.96Å; D210-S214 VanDerWaalsContact O-CB 3.3Å; D210-S214 WeakPolarHBondContact O-CB 3.35Å; D210-S214 PolarHBondContact O-N 2.89Å; D210-S214 PolarHBondContact O-OG 3.22Å
211	F	98.8	Very high	98.6	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-47	176	172.5	-118.1	0	0	0	111.4	M60 V133 D135 D207 I208 R213 S214 S215 V217 V220	M60-F211 HydrophobicContact CE-CB 3.74Å; M60-F211 HydrophobicContact CE-CD1 4.29Å; M60-F211 HydrophobicContact CE-CG 4.08Å; M60-F211 HydrophobicContact CG-CD1 3.41Å; M60-F211 VanDerWaalsContact CG-CD1 3.41Å; M60-F211 HydrophobicContact CG-CE1 3.66Å; M60-F211 HydrophobicContact CG-CG 4.08Å; M60-F211 HydrophobicContact SD-CB 3.73Å; M60-F211 HydrophobicContact SD-CD1 3.45Å; M60-F211 WeakPolarHBondContact SD-CD1 3.22Å; M60-F211 HydrophobicContact SD-CE1 4.31Å; M60-F211 HydrophobicContact SD-CG 3.82Å; V133-F211 HydrophobicContact CB-CZ 4.31Å; V133-F211 HydrophobicContact CG1-CE2 3.93Å; V133-F211 HydrophobicContact CG1-CZ 4.06Å; D135-F211 HydrophobicContact CB-CD2 3.43Å; D135-F211 VanDerWaalsContact CB-CD2 3.43Å; D135-F211 HydrophobicContact CB-CE2 3.45Å; D135-F211 VanDerWaalsContact CB-CE2 3.45Å; D135-F211 HydrophobicContact CB-CG 4.04Å; D135-F211 HydrophobicContact CB-CZ 4.06Å; D135-F211 WeakPolarHBondContact OD2-CD2 3.27Å; D207-F211 WeakPolarHBondContact O-CB 3.35Å; D207-F211 PolarHBondContact O-N 2.73Å; I208-F211 PolarHBondContact O-N 3.12Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 3.48Å; F211-S214 PolarHBondContact O-N 2.88Å; F211-S214 PolarHBondContact O-OG 3.35Å; F211-S215 VanDerWaalsContact O-CB 3.29Å; F211-S215 WeakPolarHBondContact O-CB 3.12Å; F211-S215 PolarHBondContact O-N 3.04Å; F211-S215 PolarHBondContact O-OG 2.89Å; F211-V217 HydrophobicContact CE1-CG2 4.27Å; F211-V220 HydrophobicContact CD1-CG1 4.25Å; F211-V220 HydrophobicContact CD1-CG2 3.97Å; F211-V220 HydrophobicContact CE1-CG1 4.35Å; F211-V220 HydrophobicContact CE1-CG2 4.1Å
212	R	98.4	Very high	98.6	Very high	127 Å²	127	46.8 Å²	46.8	48%	0.479	23%	0.231	S	C	.	.	H	α-helix	trans	-56.7	-47	177.6	-169.3	178.6	-172.4	179.7	4.5	111.6	I208 D210 G216 V217 D218 V220	I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 PolarHBondContact O-N 3.49Å; D210-R212 PolarHBondContact O-N 2.79Å; R212-G216 PolarHBondContact O-N 3.43Å; R212-G216 VanDerWaalsContact O-N 3.17Å; R212-V217 HydrophobicContact CG-CG2 4.38Å; R212-D218 PolarHBondContact NH2-O 2.99Å; R212-V220 HydrophobicContact CB-CG2 4.19Å; R212-V220 HydrophobicContact CG-CG2 4.36Å
213	R	98.4	Very high	98.6	Very high	182 Å²	182	43.3 Å²	43.3	69%	0.687	22%	0.215	S	C	*	.	H	α-helix	trans	-67.2	-46.5	179.8	178.7	-177.3	57.5	-128.1	-6.1	112.8	R209 D210 F211	R209-R213 WeakPolarHBondContact O-CB 3.44Å; R209-R213 PolarHBondContact O-N 3.14Å; D210-R213 PolarHBondContact O-N 3.4Å; D210-R213 IonicContact OD1-CZ 3.81Å; D210-R213 IonicContact OD1-NH2 2.75Å; D210-R213 PolarHBondContact OD1-NH2 2.96Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 3.48Å
214	S	98.1	Very high	98.6	Very high	80 Å²	80	39.9 Å²	39.9	56%	0.559	20%	0.198	S	C	*	.	H	α-helix	trans	-75.2	-34.3	-173.5	57.8	0	0	0	0	113.1	D210 F211	D210-S214 VanDerWaalsContact O-CB 3.3Å; D210-S214 WeakPolarHBondContact O-CB 3.35Å; D210-S214 PolarHBondContact O-N 2.89Å; D210-S214 PolarHBondContact O-OG 3.22Å; F211-S214 PolarHBondContact O-N 2.88Å; F211-S214 PolarHBondContact O-OG 3.35Å
215	S	98	Very high	98.6	Very high	19 Å²	19	40.4 Å²	40.4	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-85.1	-25.2	179	65.3	0	0	0	0	113.4	R56 F211 V217	R56-S215 PolarHBondContact NH1-O 3.43Å; R56-S215 PolarHBondContact NH2-O 3.37Å; R56-S215 VanDerWaalsContact NH2-O 3.09Å; F211-S215 VanDerWaalsContact O-CB 3.29Å; F211-S215 WeakPolarHBondContact O-CB 3.12Å; F211-S215 PolarHBondContact O-N 3.04Å; F211-S215 PolarHBondContact O-OG 2.89Å; S215-V217 VanDerWaalsContact C-N 3.34Å; S215-V217 WeakPolarHBondContact OG-CG1 3.35Å; S215-V217 VanDerWaalsContact OG-CG2 3.3Å; S215-V217 WeakPolarHBondContact OG-CG2 3.33Å
216	G	97.6	Very high	98.6	Very high	44 Å²	44	39 Å²	39	45%	0.454	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	32.6	-174.9	0	0	0	0	0	112.9	R56 R212	R56-G216 PolarHBondContact NH1-O 3.1Å; R212-G216 PolarHBondContact O-N 3.43Å; R212-G216 VanDerWaalsContact O-N 3.17Å
217	V	98.5	Very high	98.6	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.193	C	C	.	.			trans	-79.6	145.1	173.2	-64.2	0	0	0	0	110.5	R56 V133 F211 R212 S215 V220	R56-V217 HydrophobicContact CG-CG1 4.25Å; R56-V217 WeakPolarHBondContact O-CB 3.35Å; V133-V217 HydrophobicContact CB-CG1 4.05Å; V133-V217 HydrophobicContact CG2-CG1 3.99Å; F211-V217 HydrophobicContact CE1-CG2 4.27Å; R212-V217 HydrophobicContact CG-CG2 4.38Å; S215-V217 VanDerWaalsContact C-N 3.34Å; S215-V217 WeakPolarHBondContact OG-CG1 3.35Å; S215-V217 VanDerWaalsContact OG-CG2 3.3Å; S215-V217 WeakPolarHBondContact OG-CG2 3.33Å; V217-V220 HydrophobicContact CG2-CG2 3.76Å
218	D	97.9	Very high	98.5	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	19%	0.19	S	C	.	.	S	Bend	trans	-76.7	-39.7	179.5	-65.1	-61.6	0	0	0	111	R53 P55 R56 R212	R53-D218 IonicContact NH2-OD1 2.98Å; R53-D218 PolarHBondContact NH2-OD1 2.76Å; R53-D218 IonicContact NH2-OD2 3.2Å; R53-D218 PolarHBondContact NH2-OD2 3.2Å; P55-D218 HydrophobicContact CB-CB 3.74Å; R56-D218 PolarHBondContact N-OD2 3.32Å; R56-D218 PolarHBondContact O-N 3.18Å; R212-D218 PolarHBondContact NH2-O 2.99Å
219	K	98.3	Very high	98.5	Very high	42 Å²	42	37.7 Å²	37.7	18%	0.183	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.2	-177.5	-63.5	-172	-176.4	173.3	0	111.3	P55 R56 L57 G58 E433	P55-K219 HydrophobicContact CB-CD 4.24Å; P55-K219 HydrophobicContact CB-CG 4.13Å; P55-K219 HydrophobicContact CG-CD 3.79Å; P55-K219 HydrophobicContact CG-CG 4.21Å; R56-K219 PolarHBondContact O-N 2.94Å; L57-K219 HydrophobicContact CD1-CB 4.2Å; G58-K219 PolarHBondContact N-O 3.22Å; K219-E433 HydrophobicContact CD-CG 4.33Å; K219-E433 IonicContact NZ-OE1 3.86Å; K219-E433 PolarHBondContact NZ-OE1 3.45Å
220	V	98.9	Very high	98.4	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.9	172.9	179.1	0	0	0	0	109.4	G58 M60 I208 F211 R212 V217 V222	G58-V220 WeakPolarHBondContact O-CA 3.07Å; M60-V220 HydrophobicContact CG-CG1 3.96Å; M60-V220 HydrophobicContact SD-CG1 4.16Å; I208-V220 HydrophobicContact CG2-CG1 4.48Å; F211-V220 HydrophobicContact CD1-CG1 4.25Å; F211-V220 HydrophobicContact CD1-CG2 3.97Å; F211-V220 HydrophobicContact CE1-CG1 4.35Å; F211-V220 HydrophobicContact CE1-CG2 4.1Å; R212-V220 HydrophobicContact CB-CG2 4.19Å; R212-V220 HydrophobicContact CG-CG2 4.36Å; V217-V220 HydrophobicContact CG2-CG2 3.76Å; V220-V222 HydrophobicContact CG1-CG2 4.44Å
221	I	98.9	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.8	168.8	-63.2	175.8	0	0	0	107.8	L57 G58 V59 M60 A272 I274 V429 T432 E433	L57-I221 HydrophobicContact CD1-CD1 3.89Å; L57-I221 HydrophobicContact CD1-CG1 3.97Å; L57-I221 HydrophobicContact CD2-CD1 4.43Å; G58-I221 PolarHBondContact O-N 3Å; V59-I221 WeakPolarHBondContact CA-O 3.31Å; M60-I221 PolarHBondContact N-O 2.78Å; I221-A272 HydrophobicContact CG1-CB 4.34Å; I221-I274 HydrophobicContact CG2-CD1 3.89Å; I221-I274 HydrophobicContact CG2-CG1 4.27Å; I221-V429 HydrophobicContact CD1-CB 4.28Å; I221-V429 WeakPolarHBondContact CD1-O 3.48Å; I221-V429 HydrophobicContact CG2-CB 4.43Å; I221-V429 HydrophobicContact CG2-CG1 4.01Å; I221-T432 HydrophobicContact CD1-CG2 3.94Å; I221-E433 HydrophobicContact CD1-CB 4.12Å
222	V	98.9	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.9	175.1	-178.6	0	0	0	0	108.6	M60 V62 W137 I208 V220 S266 C271 A272 Y273 I274	M60-V222 HydrophobicContact CB-CG2 4.38Å; M60-V222 WeakPolarHBondContact O-CA 3.36Å; V62-V222 HydrophobicContact CG2-CG1 4.18Å; W137-V222 HydrophobicContact CZ3-CG1 4.23Å; I208-V222 HydrophobicContact CD1-CG2 4.08Å; I208-V222 HydrophobicContact CG1-CG2 4.41Å; V220-V222 HydrophobicContact CG1-CG2 4.44Å; V222-S266 WeakPolarHBondContact CB-OG 3.38Å; V222-S266 WeakPolarHBondContact CG2-OG 3.46Å; V222-C271 HydrophobicContact CG2-CB 4.44Å; V222-A272 PolarHBondContact N-O 3.44Å; V222-Y273 HydrophobicContact CB-CD2 3.94Å; V222-Y273 HydrophobicContact CG1-CD2 3.7Å; V222-Y273 HydrophobicContact CG1-CE2 3.89Å; V222-Y273 CarbonylContact O-C 3.34Å; V222-Y273 WeakPolarHBondContact O-CA 3.28Å; V222-I274 PolarHBondContact O-N 3.24Å
223	L	98.9	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.7	179.2	-177.2	152.9	0	0	0	110.9	M60 L61 V62 T225 I274 F302 I425 L428 V429	M60-L223 PolarHBondContact O-N 3.32Å; L61-L223 WeakPolarHBondContact CA-O 3.33Å; L61-L223 HydrophobicContact CD2-CB 3.98Å; L61-L223 HydrophobicContact CD2-CD2 3.94Å; L61-L223 HydrophobicContact CD2-CG 4.5Å; V62-L223 PolarHBondContact N-O 3.16Å; L223-T225 HydrophobicContact CD2-CG2 4.35Å; L223-I274 CarbonylContact C-O 3.58Å; L223-I274 WeakPolarHBondContact CA-O 3.26Å; L223-I274 HydrophobicContact CB-CB 4.29Å; L223-I274 HydrophobicContact CD1-CB 4.03Å; L223-I274 HydrophobicContact CD1-CD1 4.34Å; L223-I274 HydrophobicContact CD1-CG2 3.96Å; L223-I274 HydrophobicContact CG-CB 4.04Å; L223-I274 HydrophobicContact CG-CG2 4.25Å; L223-F302 HydrophobicContact CD1-CE1 4.49Å; L223-F302 HydrophobicContact CD2-CE1 4.38Å; L223-F302 HydrophobicContact CD2-CZ 3.85Å; L223-I425 HydrophobicContact CD1-CG2 4.14Å; L223-I425 HydrophobicContact CD2-CG1 4.31Å; L223-I425 HydrophobicContact CD2-CG2 4.48Å; L223-L428 HydrophobicContact CD1-CB 4.29Å; L223-L428 HydrophobicContact CD1-CD1 4.24Å; L223-V429 HydrophobicContact CD1-CG1 3.97Å
224	W	98.9	Very high	97.9	Very high	9 Å²	9	29.8 Å²	29.8	3%	0.034	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.3	173.4	-175	-78.9	0	0	0	111.1	V62 A226 N227 E229 P258 S259 F262 Y273 I274 G276 S277 Q279	V62-W224 HydrophobicContact CB-CD2 4.28Å; V62-W224 HydrophobicContact CB-CE3 3.79Å; V62-W224 HydrophobicContact CB-CZ3 4.31Å; V62-W224 HydrophobicContact CG1-CD2 4.28Å; V62-W224 HydrophobicContact CG1-CE3 3.58Å; V62-W224 HydrophobicContact CG1-CH2 4.3Å; V62-W224 HydrophobicContact CG1-CZ3 3.58Å; V62-W224 HydrophobicContact CG2-CE3 4.11Å; W224-A226 HydrophobicContact CD2-CB 4.29Å; W224-A226 HydrophobicContact CH2-CB 4.36Å; W224-A226 HydrophobicContact CZ2-CB 3.77Å; W224-A226 PolarHBondContact NE1-O 3.06Å; W224-N227 PolarHBondContact NE1-O 2.94Å; W224-E229 HydrophobicContact CH2-CG 4.45Å; W224-E229 VanDerWaalsContact CH2-OE1 3.25Å; W224-E229 WeakPolarHBondContact CH2-OE1 3.25Å; W224-E229 HydrophobicContact CZ2-CG 3.93Å; W224-P258 HydrophobicContact CH2-CB 4.16Å; W224-S259 VanDerWaalsContact CZ3-CB 3.48Å; W224-F262 HydrophobicContact CE3-CD2 4.37Å; W224-F262 AromaticContact CZ3-CD2 3.78Å; W224-F262 HydrophobicContact CZ3-CD2 3.78Å; W224-F262 HydrophobicContact CZ3-CE2 4.29Å; W224-F262 HydrophobicContact CZ3-CG 4.5Å; W224-Y273 WeakPolarHBondContact CB-OH 3.4Å; W224-I274 PolarHBondContact N-O 3.06Å; W224-G276 WeakPolarHBondContact O-CA 3.48Å; W224-G276 PolarHBondContact O-N 2.67Å; W224-S277 VanDerWaalsContact CD1-OG 3.32Å; W224-S277 PolarHBondContact NE1-OG 3.29Å; W224-Q279 VanDerWaalsContact NE1-NE2 3.18Å
225	T	98.8	Very high	97.7	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.067	16%	0.163	C	C	.	.			trans	-132.5	23.1	169.5	-174.3	0	0	0	0	111.7	L61 V62 N68 L223	L61-T225 HydrophobicContact CB-CG2 4.32Å; L61-T225 HydrophobicContact CD2-CG2 4.48Å; V62-T225 CarbonylContact O-C 3.52Å; V62-T225 VanDerWaalsContact O-C 3.27Å; V62-T225 WeakPolarHBondContact O-CA 3.48Å; V62-T225 WeakPolarHBondContact O-CG2 3.34Å; V62-T225 PolarHBondContact O-N 3.39Å; N68-T225 VanDerWaalsContact CB-OG1 3.26Å; N68-T225 WeakPolarHBondContact CB-OG1 3.27Å; N68-T225 PolarHBondContact ND2-OG1 2.79Å; N68-T225 VanDerWaalsContact ND2-OG1 3.13Å; L223-T225 HydrophobicContact CD2-CG2 4.35Å
226	A	98.5	Very high	97.6	Very high	24 Å²	24	33.1 Å²	33.1	20%	0.198	19%	0.19	C	C	.	.	S	Bend	trans	-80.7	-175	176.3	0	0	0	0	0	111.2	V62 W224 S277	V62-A226 HydrophobicContact CG1-CB 4.2Å; V62-A226 PolarHBondContact O-N 3.13Å; W224-A226 HydrophobicContact CD2-CB 4.29Å; W224-A226 HydrophobicContact CH2-CB 4.36Å; W224-A226 HydrophobicContact CZ2-CB 3.77Å; W224-A226 PolarHBondContact NE1-O 3.06Å; A226-S277 PolarHBondContact O-OG 3.24Å
227	N	98.3	Very high	97.5	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-48.8	144.4	177.2	-69.7	88.6	0	0	0	112.1	I181 Q185 W224 E229 N336 N340	I181-N227 HydrophobicContact CB-CB 4.45Å; I181-N227 HydrophobicContact CG2-CB 3.97Å; Q185-N227 PolarHBondContact OE1-ND2 3.07Å; W224-N227 PolarHBondContact NE1-O 2.94Å; N227-E229 PolarHBondContact O-N 2.58Å; N227-N336 PolarHBondContact ND2-ND2 2.88Å; N227-N340 WeakPolarHBondContact ND2-CB 3.33Å; N227-N340 PolarHBondContact ND2-OD1 3.5Å
228	T	98.1	Very high	97.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-64.9	123.6	170.1	-67.5	0	0	0	0	108.8	P278 N340 L341 Q346	T228-P278 HydrophobicContact CG2-CG 3.4Å; T228-P278 VanDerWaalsContact CG2-CG 3.4Å; T228-P278 WeakPolarHBondContact OG1-CD 3.31Å; T228-N340 PolarHBondContact N-ND2 3.05Å; T228-N340 PolarHBondContact O-ND2 3.18Å; T228-L341 HydrophobicContact CG2-CD2 4Å; T228-Q346 HydrophobicContact CG2-CB 4.42Å; T228-Q346 WeakPolarHBondContact CG2-O 3.26Å; T228-Q346 VanDerWaalsContact O-CG 3.22Å; T228-Q346 WeakPolarHBondContact O-CG 3.35Å
229	E	98.5	Very high	97.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-85.1	161.5	173.2	-58	177.9	146.4	0	0	110.8	F180 I181 W224 N227 S257 P258 S259 Q279 S349	F180-E229 HydrophobicContact CB-CB 4.29Å; F180-E229 HydrophobicContact CB-CG 4.25Å; F180-E229 CarbonylContact O-C 3.43Å; F180-E229 WeakPolarHBondContact O-CA 3.48Å; I181-E229 HydrophobicContact CG2-CG 3.98Å; W224-E229 HydrophobicContact CH2-CG 4.45Å; W224-E229 VanDerWaalsContact CH2-OE1 3.25Å; W224-E229 WeakPolarHBondContact CH2-OE1 3.25Å; W224-E229 HydrophobicContact CZ2-CG 3.93Å; N227-E229 PolarHBondContact O-N 2.58Å; E229-S257 VanDerWaalsContact OE2-CB 3.3Å; E229-S257 WeakPolarHBondContact OE2-CB 3.46Å; E229-S257 PolarHBondContact OE2-OG 2.91Å; E229-P258 WeakPolarHBondContact OE1-CB 3.37Å; E229-P258 WeakPolarHBondContact OE1-CD 3.36Å; E229-P258 WeakPolarHBondContact OE1-CG 3.47Å; E229-S259 PolarHBondContact OE1-N 2.97Å; E229-S259 WeakPolarHBondContact OE2-CB 3.46Å; E229-S259 PolarHBondContact OE2-N 3Å; E229-S259 PolarHBondContact OE2-OG 3.4Å; E229-Q279 HydrophobicContact CB-CB 3.89Å; E229-Q279 HydrophobicContact CB-CG 3.86Å; E229-Q279 HydrophobicContact CG-CG 4.37Å; E229-S349 PolarHBondContact O-OG 3.09Å
230	R	97.2	Very high	97.2	Very high	35 Å²	35	32.4 Å²	32.4	13%	0.132	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-65.4	163.6	162.1	69.3	169.3	179.5	88.8	-10.6	110	E179 F180 E255 Q345	E179-R230 PolarHBondContact O-NE 2.79Å; F180-R230 HydrophobicContact CD1-CG 3.93Å; F180-R230 PolarHBondContact O-N 3.32Å; R230-E255 IonicContact CZ-OE1 3.36Å; R230-E255 IonicContact CZ-OE2 3.32Å; R230-E255 IonicContact NH1-OE1 2.99Å; R230-E255 PolarHBondContact NH1-OE1 2.86Å; R230-E255 IonicContact NH1-OE2 2.76Å; R230-E255 PolarHBondContact NH1-OE2 3.02Å; R230-E255 IonicContact NH2-OE1 2.85Å; R230-E255 PolarHBondContact NH2-OE1 3.44Å; R230-E255 IonicContact NH2-OE2 3.11Å; R230-Q345 HydrophobicContact CB-CB 3.9Å
231	F	96	Very high	97.2	Very high	70 Å²	70	33.4 Å²	33.4	31%	0.307	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-69.5	144.1	169.1	-87.7	-135.1	0	0	0	111	P278 N280 S349 I352	F231-P278 WeakPolarHBondContact CE2-O 3.43Å; F231-N280 WeakPolarHBondContact CA-OD1 3.45Å; F231-N280 WeakPolarHBondContact CB-OD1 3.4Å; F231-N280 HydrophobicContact CD1-CB 3.77Å; F231-N280 VanDerWaalsContact CD1-CG 3.49Å; F231-N280 HydrophobicContact CE1-CB 3.73Å; F231-N280 HydrophobicContact CG-CB 4.26Å; F231-N280 WeakPolarHBondContact CG-OD1 3.23Å; F231-N280 HydrophobicContact CZ-CB 4.18Å; F231-S349 WeakPolarHBondContact CD2-OG 3.37Å; F231-I352 HydrophobicContact CE1-CD1 4.31Å; F231-I352 HydrophobicContact CZ-CD1 4.28Å
232	C	96.2	Very high	97.2	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.034	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-81.6	143	163.4	-68.3	0	0	0	0	110.2	F180 E255 N280	F180-C232 WeakPolarHBondContact CE1-SG 3.49Å; C232-E255 VanDerWaalsContact CA-OE2 3.25Å; C232-E255 WeakPolarHBondContact CA-OE2 3.26Å; C232-N280 PolarHBondContact N-OD1 3.19Å; C232-N280 PolarHBondContact O-ND2 2.82Å
233	D	95.5	Very high	97.1	Very high	109 Å²	109	41.3 Å²	41.3	58%	0.583	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-74.2	138.8	165.9	-70.3	-34.7	0	0	0	110.3	V235 E255	D233-V235 HydrophobicContact CB-CG2 4.25Å; D233-V235 PolarHBondContact O-N 2.91Å; D233-E255 HydrophobicContact CB-CG 4.22Å; D233-E255 PolarHBondContact N-OE2 3.32Å
234	I	94.9	Very high	97.1	Very high	82 Å²	82	43.5 Å²	43.5	42%	0.421	24%	0.244	S	C	.	.			trans	-86.4	93.9	174.2	-53.3	-55.5	0	0	0	108.6	V283 P284	I234-V283 HydrophobicContact CD1-CB 4.01Å; I234-V283 HydrophobicContact CD1-CG1 3.67Å; I234-P284 HydrophobicContact CG2-CG 4.22Å
235	V	94.1	Very high	97.1	Very high	59 Å²	59	43.1 Å²	43.1	36%	0.358	24%	0.242	S	C	.	.			trans	-92.3	123.5	179.9	-175.2	0	0	0	0	109.9	D233 G237 V238 E255	D233-V235 HydrophobicContact CB-CG2 4.25Å; D233-V235 PolarHBondContact O-N 2.91Å; V235-G237 PolarHBondContact O-N 3.28Å; V235-V238 HydrophobicContact CB-CB 4.08Å; V235-V238 HydrophobicContact CB-CG2 3.82Å; V235-V238 HydrophobicContact CG1-CG2 3.74Å; V235-V238 WeakPolarHBondContact O-CB 3.1Å; V235-V238 PolarHBondContact O-N 3.19Å; V235-V238 VanDerWaalsContact O-N 3.07Å; V235-E255 HydrophobicContact CG2-CG 4.39Å
236	P	95.9	Very high	97.1	Very high	110 Å²	110	45.4 Å²	45.4	71%	0.714	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.8	175.5	-26	34.8	0	0	0	112	V238 D240	P236-V238 VanDerWaalsContact C-N 3.29Å; P236-V238 PolarHBondContact O-N 3.3Å; P236-D240 WeakPolarHBondContact CA-OD2 3.38Å
237	G	95.8	Very high	97.1	Very high	46 Å²	46	46.9 Å²	46.9	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-2	-175.8	0	0	0	0	0	115.6	V235 D240	V235-G237 PolarHBondContact O-N 3.28Å; G237-D240 PolarHBondContact N-OD1 2.85Å; G237-D240 VanDerWaalsContact N-OD1 3.15Å; G237-D240 PolarHBondContact N-OD2 2.98Å
238	V	96.2	Very high	97.1	Very high	31 Å²	31	46.4 Å²	46.4	19%	0.188	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-60.1	-179.9	-177.8	0	0	0	0	111.8	V235 P236 N244 L245 A253 I256	V235-V238 HydrophobicContact CB-CB 4.08Å; V235-V238 HydrophobicContact CB-CG2 3.82Å; V235-V238 HydrophobicContact CG1-CG2 3.74Å; V235-V238 WeakPolarHBondContact O-CB 3.1Å; V235-V238 PolarHBondContact O-N 3.19Å; V235-V238 VanDerWaalsContact O-N 3.07Å; P236-V238 VanDerWaalsContact C-N 3.29Å; P236-V238 PolarHBondContact O-N 3.3Å; V238-N244 CarbonylContact O-C 3.54Å; V238-L245 VanDerWaalsContact O-CA 3.26Å; V238-L245 WeakPolarHBondContact O-CA 3.49Å; V238-L245 PolarHBondContact O-N 3.06Å; V238-L245 VanDerWaalsContact O-N 3.14Å; V238-A253 HydrophobicContact CG1-CB 3.76Å; V238-I256 HydrophobicContact CG1-CG1 4.42Å
239	S	96.1	Very high	97.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	13.3	-173.3	59.9	0	0	0	0	113.3	G285	S239-G285 PolarHBondContact O-N 2.85Å
240	D	96.8	Very high	97.1	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	29%	0.294	S	S	.	.	S	Bend	trans	-83	-14.6	-176.6	62.6	-21.7	0	0	0	114.3	P236 G237 N244	P236-D240 WeakPolarHBondContact CA-OD2 3.38Å; G237-D240 PolarHBondContact N-OD1 2.85Å; G237-D240 VanDerWaalsContact N-OD1 3.15Å; G237-D240 PolarHBondContact N-OD2 2.98Å; D240-N244 WeakPolarHBondContact OD1-CB 3.35Å; D240-N244 PolarHBondContact OD1-ND2 3.45Å
241	S	98.4	Very high	97.1	Very high	25 Å²	25	55 Å²	55	18%	0.175	32%	0.321	C	S	.	.	S	Bend	trans	-143.3	159.9	171.7	68.9	0	0	0	0	111.5	K243 N244 L245 G285 E288	S241-K243 VanDerWaalsContact C-N 3.26Å; S241-K243 PolarHBondContact O-N 2.65Å; S241-N244 PolarHBondContact O-N 3.41Å; S241-N244 WeakPolarHBondContact OG-CB 3.41Å; S241-N244 PolarHBondContact OG-N 3.07Å; S241-N244 PolarHBondContact OG-ND2 3.19Å; S241-L245 WeakPolarHBondContact O-CB 3.39Å; S241-L245 PolarHBondContact O-N 3.44Å; S241-G285 WeakPolarHBondContact O-CA 3.44Å; S241-E288 WeakPolarHBondContact CA-OE2 3.33Å; S241-E288 VanDerWaalsContact CB-OE2 3.27Å; S241-E288 WeakPolarHBondContact CB-OE2 3.48Å
242	A	98.5	Very high	97.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-57.3	-42.1	179.9	0	0	0	0	0	111.7	L245 L246 G285 E288 L289	A242-L245 PolarHBondContact O-N 3.48Å; A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 3.26Å; A242-L246 VanDerWaalsContact O-N 3.1Å; A242-G285 WeakPolarHBondContact CA-O 3.3Å; A242-E288 HydrophobicContact CB-CB 4.13Å; A242-E288 HydrophobicContact CB-CG 4.13Å; A242-E288 PolarHBondContact N-OE2 3.26Å; A242-L289 HydrophobicContact CB-CB 3.93Å; A242-L289 HydrophobicContact CB-CD1 4.34Å
243	K	98.6	Very high	97.2	Very high	166 Å²	166	54.6 Å²	54.6	72%	0.722	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-47.2	177.5	-178.1	-176.1	176	-174.5	0	111.6	S241 L246 A247	S241-K243 VanDerWaalsContact C-N 3.26Å; S241-K243 PolarHBondContact O-N 2.65Å; K243-L246 PolarHBondContact O-N 2.76Å; K243-A247 WeakPolarHBondContact O-CB 3.45Å; K243-A247 PolarHBondContact O-N 2.86Å
244	N	98.6	Very high	97.2	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-41.7	-179.4	-68	-15.5	0	0	0	110.7	V238 D240 S241 L246 A247 G248	V238-N244 CarbonylContact O-C 3.54Å; D240-N244 WeakPolarHBondContact OD1-CB 3.35Å; D240-N244 PolarHBondContact OD1-ND2 3.45Å; S241-N244 PolarHBondContact O-N 3.41Å; S241-N244 WeakPolarHBondContact OG-CB 3.41Å; S241-N244 PolarHBondContact OG-N 3.07Å; S241-N244 PolarHBondContact OG-ND2 3.19Å; N244-L246 PolarHBondContact O-N 3.5Å; N244-A247 CarbonylContact O-C 3.48Å; N244-A247 PolarHBondContact O-N 3.14Å; N244-G248 PolarHBondContact O-N 3.37Å
245	L	98.7	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-48.9	177.3	179.3	59.6	0	0	0	111.5	V238 S241 A242 A247 G248 I249 I256 T260 V264 V283 A286	V238-L245 VanDerWaalsContact O-CA 3.26Å; V238-L245 WeakPolarHBondContact O-CA 3.49Å; V238-L245 PolarHBondContact O-N 3.06Å; V238-L245 VanDerWaalsContact O-N 3.14Å; S241-L245 WeakPolarHBondContact O-CB 3.39Å; S241-L245 PolarHBondContact O-N 3.44Å; A242-L245 PolarHBondContact O-N 3.48Å; L245-A247 VanDerWaalsContact C-N 3.35Å; L245-A247 PolarHBondContact O-N 3.2Å; L245-G248 PolarHBondContact O-N 3.1Å; L245-I249 HydrophobicContact CD1-CD1 4.47Å; L245-I249 HydrophobicContact CG-CD1 4.38Å; L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 2.86Å; L245-I256 HydrophobicContact CD1-CD1 4.03Å; L245-I256 HydrophobicContact CD1-CG1 4.24Å; L245-I256 HydrophobicContact CD1-CG2 4.45Å; L245-T260 HydrophobicContact CD1-CG2 3.85Å; L245-T260 HydrophobicContact CD2-CG2 4.28Å; L245-V264 HydrophobicContact CD2-CG2 3.61Å; L245-V264 HydrophobicContact CG-CG2 4.16Å; L245-V283 HydrophobicContact CD1-CG2 4.25Å; L245-V283 HydrophobicContact CD2-CG2 4.07Å; L245-A286 HydrophobicContact CD2-CB 3.89Å
246	L	98.7	Very high	97.5	Very high	59 Å²	59	48.1 Å²	48.1	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-39.7	177.6	-68.1	172.8	0	0	0	112.3	A242 K243 N244 I249 Q250 V264 L268 L289	A242-L246 WeakPolarHBondContact O-CG 3.42Å; A242-L246 PolarHBondContact O-N 3.26Å; A242-L246 VanDerWaalsContact O-N 3.1Å; K243-L246 PolarHBondContact O-N 2.76Å; N244-L246 PolarHBondContact O-N 3.5Å; L246-I249 PolarHBondContact O-N 3.42Å; L246-Q250 WeakPolarHBondContact O-CG 3.49Å; L246-Q250 PolarHBondContact O-N 2.93Å; L246-V264 HydrophobicContact CD2-CG1 3.75Å; L246-L268 HydrophobicContact CD2-CD1 4.26Å; L246-L289 HydrophobicContact CD1-CD1 4.38Å; L246-L289 HydrophobicContact CD2-CD2 4.44Å
247	A	98.4	Very high	97.6	Very high	56 Å²	56	43 Å²	43	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-39	175.3	0	0	0	0	0	112.2	K243 N244 L245 I249 Q250 A251	K243-A247 WeakPolarHBondContact O-CB 3.45Å; K243-A247 PolarHBondContact O-N 2.86Å; N244-A247 CarbonylContact O-C 3.48Å; N244-A247 PolarHBondContact O-N 3.14Å; L245-A247 VanDerWaalsContact C-N 3.35Å; L245-A247 PolarHBondContact O-N 3.2Å; A247-I249 VanDerWaalsContact C-N 3.33Å; A247-I249 PolarHBondContact O-N 3.06Å; A247-Q250 WeakPolarHBondContact O-CB 3.44Å; A247-Q250 PolarHBondContact O-N 3.15Å; A247-A251 WeakPolarHBondContact O-CB 3.48Å; A247-A251 PolarHBondContact O-N 3.02Å
248	G	98.3	Very high	97.7	Very high	8 Å²	8	41 Å²	41	8%	0.082	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-37.7	176.1	0	0	0	0	0	112.3	N244 L245 A251 G252 A253	N244-G248 PolarHBondContact O-N 3.37Å; L245-G248 PolarHBondContact O-N 3.1Å; G248-A251 CarbonylContact O-C 3.6Å; G248-A251 PolarHBondContact O-N 3.02Å; G248-G252 PolarHBondContact O-N 3.33Å; G248-A253 PolarHBondContact O-N 2.92Å
249	I	98.4	Very high	97.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-44.5	172.9	-69	169.6	0	0	0	110.8	M197 A198 M201 L245 L246 A247 A251 G252 I256 L261 V264	M197-I249 HydrophobicContact CG-CG2 4.22Å; M197-I249 HydrophobicContact SD-CB 4.48Å; M197-I249 HydrophobicContact SD-CG1 4.38Å; A198-I249 HydrophobicContact CB-CG2 4.41Å; M201-I249 HydrophobicContact CE-CG2 4.21Å; M201-I249 HydrophobicContact SD-CD1 3.88Å; M201-I249 HydrophobicContact SD-CG2 3.98Å; L245-I249 HydrophobicContact CD1-CD1 4.47Å; L245-I249 HydrophobicContact CG-CD1 4.38Å; L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 2.86Å; L246-I249 PolarHBondContact O-N 3.42Å; A247-I249 VanDerWaalsContact C-N 3.33Å; A247-I249 PolarHBondContact O-N 3.06Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.72Å; I249-G252 PolarHBondContact O-N 3.24Å; I249-I256 HydrophobicContact CG1-CD1 3.94Å; I249-I256 HydrophobicContact CG1-CG2 4.07Å; I249-L261 HydrophobicContact CB-CD2 4.42Å; I249-L261 HydrophobicContact CD1-CD2 3.87Å; I249-L261 HydrophobicContact CG1-CD2 3.69Å; I249-L261 HydrophobicContact CG2-CD2 3.96Å; I249-V264 HydrophobicContact CD1-CB 4.12Å; I249-V264 HydrophobicContact CD1-CG1 3.88Å; I249-V264 HydrophobicContact CD1-CG2 4.02Å
250	Q	97.9	Very high	98	Very high	133 Å²	133	39.6 Å²	39.6	62%	0.621	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-36.1	176.8	-66.3	-62	-35.3	0	0	112.4	L246 A247 G252	L246-Q250 WeakPolarHBondContact O-CG 3.49Å; L246-Q250 PolarHBondContact O-N 2.93Å; A247-Q250 WeakPolarHBondContact O-CB 3.44Å; A247-Q250 PolarHBondContact O-N 3.15Å; Q250-G252 VanDerWaalsContact C-N 3.35Å
251	A	97.3	Very high	98.1	Very high	85 Å²	85	36.6 Å²	36.6	70%	0.702	23%	0.231	S	C	*	.	H	α-helix	trans	-81.7	-9.2	179	0	0	0	0	0	114.1	A247 G248 I249	A247-A251 WeakPolarHBondContact O-CB 3.48Å; A247-A251 PolarHBondContact O-N 3.02Å; G248-A251 CarbonylContact O-C 3.6Å; G248-A251 PolarHBondContact O-N 3.02Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.72Å
252	G	96.6	Very high	98.1	Very high	44 Å²	44	35.4 Å²	35.4	45%	0.454	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	42.1	-175.3	0	0	0	0	0	113.4	G248 I249 Q250	G248-G252 PolarHBondContact O-N 3.33Å; I249-G252 PolarHBondContact O-N 3.24Å; Q250-G252 VanDerWaalsContact C-N 3.35Å
253	A	97.1	Very high	98.1	Very high	23 Å²	23	35.4 Å²	35.4	19%	0.19	22%	0.222	C	C	.	.			trans	-63.4	137.8	-177.7	0	0	0	0	0	112.6	V238 G248 E255 I256	V238-A253 HydrophobicContact CG1-CB 3.76Å; G248-A253 PolarHBondContact O-N 2.92Å; A253-E255 PolarHBondContact O-N 3.47Å; A253-I256 HydrophobicContact CB-CD1 3.92Å; A253-I256 HydrophobicContact CB-CG1 4.26Å; A253-I256 PolarHBondContact O-N 2.93Å
254	A	95.7	Very high	98.1	Very high	77 Å²	77	27.5 Å²	27.5	64%	0.636	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-31	-171.2	0	0	0	0	0	114.7	F180 I256	F180-A254 VanDerWaalsContact CZ-O 3.27Å; F180-A254 WeakPolarHBondContact CZ-O 3.38Å; A254-I256 VanDerWaalsContact C-N 3.26Å; A254-I256 PolarHBondContact O-N 3.02Å
255	E	97.1	Very high	98.2	Very high	35 Å²	35	25.3 Å²	25.3	16%	0.164	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	35.5	-178.6	-66.6	-57.8	127.7	0	0	112.7	R230 C232 D233 V235 A253	R230-E255 IonicContact CZ-OE1 3.36Å; R230-E255 IonicContact CZ-OE2 3.32Å; R230-E255 IonicContact NH1-OE1 2.99Å; R230-E255 PolarHBondContact NH1-OE1 2.86Å; R230-E255 IonicContact NH1-OE2 2.76Å; R230-E255 PolarHBondContact NH1-OE2 3.02Å; R230-E255 IonicContact NH2-OE1 2.85Å; R230-E255 PolarHBondContact NH2-OE1 3.44Å; R230-E255 IonicContact NH2-OE2 3.11Å; C232-E255 VanDerWaalsContact CA-OE2 3.25Å; C232-E255 WeakPolarHBondContact CA-OE2 3.26Å; D233-E255 HydrophobicContact CB-CG 4.22Å; D233-E255 PolarHBondContact N-OE2 3.32Å; V235-E255 HydrophobicContact CG2-CG 4.39Å; A253-E255 PolarHBondContact O-N 3.47Å
256	I	98.2	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	18%	0.176	C	C	.	.			trans	-119.7	108.4	170	-59.7	178.6	0	0	0	108	M197 V238 L245 I249 A253 A254 T260 L261	M197-I256 HydrophobicContact CE-CB 4.11Å; M197-I256 HydrophobicContact CE-CG2 4.41Å; M197-I256 HydrophobicContact SD-CB 3.96Å; M197-I256 HydrophobicContact SD-CD1 4.46Å; M197-I256 HydrophobicContact SD-CG2 3.85Å; V238-I256 HydrophobicContact CG1-CG1 4.42Å; L245-I256 HydrophobicContact CD1-CD1 4.03Å; L245-I256 HydrophobicContact CD1-CG1 4.24Å; L245-I256 HydrophobicContact CD1-CG2 4.45Å; I249-I256 HydrophobicContact CG1-CD1 3.94Å; I249-I256 HydrophobicContact CG1-CG2 4.07Å; A253-I256 HydrophobicContact CB-CD1 3.92Å; A253-I256 HydrophobicContact CB-CG1 4.26Å; A253-I256 PolarHBondContact O-N 2.93Å; A254-I256 VanDerWaalsContact C-N 3.26Å; A254-I256 PolarHBondContact O-N 3.02Å; I256-T260 HydrophobicContact CG2-CG2 4.13Å; I256-L261 HydrophobicContact CG2-CD2 3.87Å; I256-L261 HydrophobicContact CG2-CG 4.18Å
257	S	98.4	Very high	98.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.014	16%	0.161	C	C	.	.			trans	-77.2	159.5	-176.7	65.5	0	0	0	0	113.1	E229 S259 T260 L261	E229-S257 VanDerWaalsContact OE2-CB 3.3Å; E229-S257 WeakPolarHBondContact OE2-CB 3.46Å; E229-S257 PolarHBondContact OE2-OG 2.91Å; S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.24Å; S257-S259 PolarHBondContact OG-OG 3.4Å; S257-T260 WeakPolarHBondContact O-CB 3.09Å; S257-T260 PolarHBondContact O-N 2.85Å; S257-T260 PolarHBondContact OG-N 3.47Å; S257-T260 VanDerWaalsContact OG-N 3.15Å; S257-T260 PolarHBondContact OG-OG1 2.98Å; S257-L261 PolarHBondContact O-N 3.1Å; S257-L261 VanDerWaalsContact O-N 3.08Å
258	P	98.8	Very high	98.2	Very high	6 Å²	6	21 Å²	21	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-50.1	-45.5	167	-26	32.6	0	0	0	112.9	I175 I177 F180 W224 E229 T260 L261 F262	I175-P258 HydrophobicContact CB-CB 4.24Å; I175-P258 HydrophobicContact CG2-CB 3.75Å; I175-P258 HydrophobicContact CG2-CG 3.98Å; I177-P258 HydrophobicContact CB-CG 3.87Å; I177-P258 HydrophobicContact CD1-CG 3.94Å; I177-P258 HydrophobicContact CG1-CG 3.9Å; F180-P258 HydrophobicContact CD2-CG 4.49Å; W224-P258 HydrophobicContact CH2-CB 4.16Å; E229-P258 WeakPolarHBondContact OE1-CB 3.37Å; E229-P258 WeakPolarHBondContact OE1-CD 3.36Å; E229-P258 WeakPolarHBondContact OE1-CG 3.47Å; P258-T260 VanDerWaalsContact C-N 3.26Å; P258-T260 PolarHBondContact O-N 3.5Å; P258-L261 WeakPolarHBondContact O-CB 3.42Å; P258-L261 PolarHBondContact O-N 3.36Å; P258-F262 VanDerWaalsContact O-CD2 3.3Å; P258-F262 WeakPolarHBondContact O-CD2 3.3Å; P258-F262 PolarHBondContact O-N 2.91Å
259	S	98.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-34.7	177.4	64.9	0	0	0	0	113.6	W224 E229 S257 F262 A263 Y273 T281	W224-S259 VanDerWaalsContact CZ3-CB 3.48Å; E229-S259 PolarHBondContact OE1-N 2.97Å; E229-S259 WeakPolarHBondContact OE2-CB 3.46Å; E229-S259 PolarHBondContact OE2-N 3Å; E229-S259 PolarHBondContact OE2-OG 3.4Å; S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.24Å; S257-S259 PolarHBondContact OG-OG 3.4Å; S259-F262 PolarHBondContact O-N 3.4Å; S259-A263 WeakPolarHBondContact O-CB 3.4Å; S259-A263 PolarHBondContact O-N 3.35Å; S259-Y273 PolarHBondContact O-OH 2.95Å; S259-T281 VanDerWaalsContact C-CG2 3.46Å; S259-T281 WeakPolarHBondContact CB-OG1 3.46Å; S259-T281 VanDerWaalsContact O-CG2 3.25Å; S259-T281 WeakPolarHBondContact O-CG2 3.22Å; S259-T281 PolarHBondContact OG-OG1 3.37Å
260	T	98.8	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-39.4	174.3	-54.4	0	0	0	0	111.1	L245 I256 S257 P258 A263 V264 T281 V283	L245-T260 HydrophobicContact CD1-CG2 3.85Å; L245-T260 HydrophobicContact CD2-CG2 4.28Å; I256-T260 HydrophobicContact CG2-CG2 4.13Å; S257-T260 WeakPolarHBondContact O-CB 3.09Å; S257-T260 PolarHBondContact O-N 2.85Å; S257-T260 PolarHBondContact OG-N 3.47Å; S257-T260 VanDerWaalsContact OG-N 3.15Å; S257-T260 PolarHBondContact OG-OG1 2.98Å; P258-T260 VanDerWaalsContact C-N 3.26Å; P258-T260 PolarHBondContact O-N 3.5Å; T260-A263 PolarHBondContact O-N 3.5Å; T260-V264 HydrophobicContact CG2-CG2 4.49Å; T260-V264 WeakPolarHBondContact O-CG2 3.31Å; T260-V264 PolarHBondContact O-N 3.45Å; T260-T281 PolarHBondContact OG1-O 2.92Å; T260-V283 HydrophobicContact CG2-CG2 4.08Å
261	L	98.8	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.7	-61.9	170.2	0	0	0	112.2	I175 I177 M197 M201 I249 I256 S257 P258 V264 A265	I175-L261 HydrophobicContact CD1-CB 3.84Å; I175-L261 HydrophobicContact CD1-CD1 3.82Å; I175-L261 HydrophobicContact CD1-CG 4.49Å; I175-L261 HydrophobicContact CG2-CD1 4.2Å; I177-L261 HydrophobicContact CD1-CD1 4.45Å; M197-L261 HydrophobicContact CE-CD1 4.44Å; M197-L261 HydrophobicContact CG-CD1 3.47Å; M197-L261 VanDerWaalsContact CG-CD1 3.47Å; M197-L261 HydrophobicContact CG-CD2 3.44Å; M197-L261 VanDerWaalsContact CG-CD2 3.44Å; M197-L261 HydrophobicContact CG-CG 4.06Å; M197-L261 HydrophobicContact SD-CD1 4.19Å; M197-L261 HydrophobicContact SD-CD2 3.74Å; M197-L261 HydrophobicContact SD-CG 4.42Å; M201-L261 HydrophobicContact CB-CD2 4.44Å; I249-L261 HydrophobicContact CB-CD2 4.42Å; I249-L261 HydrophobicContact CD1-CD2 3.87Å; I249-L261 HydrophobicContact CG1-CD2 3.69Å; I249-L261 HydrophobicContact CG2-CD2 3.96Å; I256-L261 HydrophobicContact CG2-CD2 3.87Å; I256-L261 HydrophobicContact CG2-CG 4.18Å; S257-L261 PolarHBondContact O-N 3.1Å; S257-L261 VanDerWaalsContact O-N 3.08Å; P258-L261 WeakPolarHBondContact O-CB 3.42Å; P258-L261 PolarHBondContact O-N 3.36Å; L261-V264 PolarHBondContact O-N 3.05Å; L261-A265 VanDerWaalsContact O-CB 3.26Å; L261-A265 WeakPolarHBondContact O-CB 3.49Å; L261-A265 PolarHBondContact O-N 2.84Å
262	F	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-40.5	174.2	-82.9	-83.4	0	0	0	112	V62 W137 I175 I204 W224 P258 S259 S266 Y273	V62-F262 HydrophobicContact CG1-CD1 4.49Å; V62-F262 HydrophobicContact CG1-CD2 4.07Å; V62-F262 HydrophobicContact CG1-CE1 4.2Å; V62-F262 HydrophobicContact CG1-CE2 3.75Å; V62-F262 HydrophobicContact CG1-CG 4.43Å; V62-F262 HydrophobicContact CG1-CZ 3.82Å; V62-F262 HydrophobicContact CG2-CB 4.33Å; V62-F262 HydrophobicContact CG2-CD1 3.46Å; V62-F262 VanDerWaalsContact CG2-CD1 3.46Å; V62-F262 HydrophobicContact CG2-CD2 4.25Å; V62-F262 HydrophobicContact CG2-CE1 3.69Å; V62-F262 HydrophobicContact CG2-CE2 4.44Å; V62-F262 HydrophobicContact CG2-CG 3.77Å; V62-F262 HydrophobicContact CG2-CZ 4.18Å; W137-F262 HydrophobicContact CB-CE1 4.44Å; W137-F262 HydrophobicContact CB-CZ 4.25Å; W137-F262 AromaticContact CD2-CE1 3.64Å; W137-F262 HydrophobicContact CD2-CE1 3.64Å; W137-F262 HydrophobicContact CD2-CZ 4.29Å; W137-F262 HydrophobicContact CE3-CD1 4.34Å; W137-F262 AromaticContact CE3-CE1 3.66Å; W137-F262 HydrophobicContact CE3-CE1 3.66Å; W137-F262 AromaticContact CG-CE1 3.99Å; W137-F262 HydrophobicContact CG-CE1 3.99Å; W137-F262 HydrophobicContact CG-CZ 4.16Å; W137-F262 HydrophobicContact CH2-CE1 4.47Å; W137-F262 HydrophobicContact CZ2-CE1 4.48Å; W137-F262 HydrophobicContact CZ3-CD1 4.37Å; W137-F262 HydrophobicContact CZ3-CE1 4.08Å; I175-F262 HydrophobicContact CB-CE2 4.08Å; I175-F262 HydrophobicContact CD1-CD2 4.49Å; I175-F262 HydrophobicContact CD1-CE2 4.22Å; I175-F262 HydrophobicContact CG1-CE2 4.14Å; I204-F262 HydrophobicContact CB-CE1 4.45Å; I204-F262 HydrophobicContact CD1-CD1 4.35Å; I204-F262 HydrophobicContact CD1-CE1 3.48Å; I204-F262 VanDerWaalsContact CD1-CE1 3.48Å; I204-F262 HydrophobicContact CD1-CZ 3.58Å; I204-F262 HydrophobicContact CG1-CD1 4.2Å; I204-F262 HydrophobicContact CG1-CE1 3.8Å; I204-F262 HydrophobicContact CG1-CZ 4.07Å; I204-F262 HydrophobicContact CG2-CD1 3.59Å; I204-F262 HydrophobicContact CG2-CE1 3.75Å; W224-F262 HydrophobicContact CE3-CD2 4.37Å; W224-F262 AromaticContact CZ3-CD2 3.78Å; W224-F262 HydrophobicContact CZ3-CD2 3.78Å; W224-F262 HydrophobicContact CZ3-CE2 4.29Å; W224-F262 HydrophobicContact CZ3-CG 4.5Å; P258-F262 VanDerWaalsContact O-CD2 3.3Å; P258-F262 WeakPolarHBondContact O-CD2 3.3Å; P258-F262 PolarHBondContact O-N 2.91Å; S259-F262 PolarHBondContact O-N 3.4Å; F262-S266 WeakPolarHBondContact O-CB 3.23Å; F262-S266 PolarHBondContact O-N 3.48Å; F262-S266 PolarHBondContact O-OG 2.85Å; F262-Y273 HydrophobicContact CB-CE2 3.76Å
263	A	98.9	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-49.7	175.5	0	0	0	0	0	111.3	S259 T260 S266 I267 Y273 T281	S259-A263 WeakPolarHBondContact O-CB 3.4Å; S259-A263 PolarHBondContact O-N 3.35Å; T260-A263 PolarHBondContact O-N 3.5Å; A263-S266 PolarHBondContact O-N 3.02Å; A263-I267 WeakPolarHBondContact O-CD1 3.48Å; A263-I267 WeakPolarHBondContact O-CG1 3.23Å; A263-I267 PolarHBondContact O-N 2.91Å; A263-Y273 HydrophobicContact CB-CD1 3.71Å; A263-Y273 HydrophobicContact CB-CD2 4.38Å; A263-Y273 HydrophobicContact CB-CE1 3.72Å; A263-Y273 HydrophobicContact CB-CE2 4.42Å; A263-Y273 HydrophobicContact CB-CG 4.02Å; A263-T281 HydrophobicContact CB-CG2 3.91Å
264	V	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-46	178.4	173.3	0	0	0	0	111.3	M201 L245 L246 I249 T260 L261 S266 I267 L268 L289	M201-V264 HydrophobicContact SD-CB 4.23Å; M201-V264 HydrophobicContact SD-CG1 3.6Å; M201-V264 VanDerWaalsContact SD-CG1 3.6Å; L245-V264 HydrophobicContact CD2-CG2 3.61Å; L245-V264 HydrophobicContact CG-CG2 4.16Å; L246-V264 HydrophobicContact CD2-CG1 3.75Å; I249-V264 HydrophobicContact CD1-CB 4.12Å; I249-V264 HydrophobicContact CD1-CG1 3.88Å; I249-V264 HydrophobicContact CD1-CG2 4.02Å; T260-V264 HydrophobicContact CG2-CG2 4.49Å; T260-V264 WeakPolarHBondContact O-CG2 3.31Å; T260-V264 PolarHBondContact O-N 3.45Å; L261-V264 PolarHBondContact O-N 3.05Å; V264-S266 VanDerWaalsContact C-N 3.31Å; V264-S266 PolarHBondContact O-N 3.23Å; V264-I267 PolarHBondContact O-N 2.72Å; V264-L268 HydrophobicContact CG1-CD1 3.82Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.33Å; V264-L268 VanDerWaalsContact O-CG 3.26Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.31Å; V264-L289 HydrophobicContact CB-CD2 4.41Å; V264-L289 HydrophobicContact CG1-CD2 3.89Å; V264-L289 HydrophobicContact CG2-CD2 4.2Å
265	A	98.9	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.8	-43.8	176.4	0	0	0	0	0	111.8	M201 I204 R205 L261 L268 E269	M201-A265 HydrophobicContact CG-CB 3.94Å; I204-A265 HydrophobicContact CB-CB 3.96Å; I204-A265 HydrophobicContact CG2-CB 3.65Å; R205-A265 HydrophobicContact CG-CB 3.7Å; L261-A265 VanDerWaalsContact O-CB 3.26Å; L261-A265 WeakPolarHBondContact O-CB 3.49Å; L261-A265 PolarHBondContact O-N 2.84Å; A265-L268 PolarHBondContact O-N 3.42Å; A265-E269 WeakPolarHBondContact O-CG 3.43Å; A265-E269 PolarHBondContact O-N 3.43Å
266	S	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.7	-46.3	178.8	-54.5	0	0	0	0	111.7	V222 F262 A263 V264 L268 E269 D270 C271 Y273	V222-S266 WeakPolarHBondContact CB-OG 3.38Å; V222-S266 WeakPolarHBondContact CG2-OG 3.46Å; F262-S266 WeakPolarHBondContact O-CB 3.23Å; F262-S266 PolarHBondContact O-N 3.48Å; F262-S266 PolarHBondContact O-OG 2.85Å; A263-S266 PolarHBondContact O-N 3.02Å; V264-S266 VanDerWaalsContact C-N 3.31Å; V264-S266 PolarHBondContact O-N 3.23Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 2.9Å; S266-E269 CarbonylContact O-C 3.43Å; S266-E269 PolarHBondContact O-N 2.88Å; S266-E269 VanDerWaalsContact O-N 3.13Å; S266-D270 PolarHBondContact O-N 3.48Å; S266-C271 CarbonylContact C-O 3.42Å; S266-C271 WeakPolarHBondContact O-CB 3.46Å; S266-C271 PolarHBondContact O-N 2.85Å; S266-Y273 WeakPolarHBondContact OG-CD2 3.28Å
267	I	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.1	-66.5	159.4	0	0	0	111.2	A263 V264 E269 D270 L289 A290 R293 V295 I297	A263-I267 WeakPolarHBondContact O-CD1 3.48Å; A263-I267 WeakPolarHBondContact O-CG1 3.23Å; A263-I267 PolarHBondContact O-N 2.91Å; V264-I267 PolarHBondContact O-N 2.72Å; I267-E269 PolarHBondContact O-N 3.29Å; I267-D270 PolarHBondContact O-N 3.26Å; I267-L289 HydrophobicContact CB-CD2 4.45Å; I267-L289 HydrophobicContact CG2-CD2 4.12Å; I267-L289 HydrophobicContact CG2-CG 3.78Å; I267-A290 HydrophobicContact CD1-CB 3.85Å; I267-A290 HydrophobicContact CG1-CB 4.23Å; I267-R293 HydrophobicContact CG2-CB 3.92Å; I267-R293 HydrophobicContact CG2-CG 3.76Å; I267-V295 HydrophobicContact CG1-CG1 4.3Å; I267-V295 HydrophobicContact CG2-CB 4.4Å; I267-I297 HydrophobicContact CD1-CG2 4.1Å; I267-I297 HydrophobicContact CG1-CG2 4.26Å
268	L	98.8	Very high	98.6	Very high	25 Å²	25	9 Å²	9	13%	0.131	5%	0.049	C	C	.	.	H	α-helix	trans	-70.6	-18.1	177.9	-69.9	176.2	0	0	0	113.8	M201 L246 V264 A265 S266	M201-L268 HydrophobicContact CE-CD1 4.3Å; M201-L268 HydrophobicContact SD-CD1 4.45Å; L246-L268 HydrophobicContact CD2-CD1 4.26Å; V264-L268 HydrophobicContact CG1-CD1 3.82Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.33Å; V264-L268 VanDerWaalsContact O-CG 3.26Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.31Å; A265-L268 PolarHBondContact O-N 3.42Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 2.9Å
269	E	98.8	Very high	98.6	Very high	29 Å²	29	8.8 Å²	8.8	14%	0.136	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	17.8	174.2	-62.7	-55.8	131.6	0	0	112.6	R205 I208 R209 A265 S266 I267 C271	R205-E269 HydrophobicContact CB-CG 3.89Å; R205-E269 HydrophobicContact CG-CG 3.98Å; R205-E269 IonicContact CZ-OE1 3.31Å; R205-E269 IonicContact NE-OE1 2.75Å; R205-E269 PolarHBondContact NE-OE1 3.24Å; R205-E269 IonicContact NH2-OE1 2.94Å; R205-E269 PolarHBondContact NH2-OE1 3.09Å; I208-E269 HydrophobicContact CB-CG 4.44Å; I208-E269 HydrophobicContact CD1-CG 4.46Å; I208-E269 HydrophobicContact CG2-CB 3.95Å; I208-E269 HydrophobicContact CG2-CG 4.32Å; R209-E269 WeakPolarHBondContact CD-OE2 3.45Å; R209-E269 WeakPolarHBondContact CG-OE2 3.49Å; R209-E269 IonicContact NE-OE2 3.87Å; A265-E269 WeakPolarHBondContact O-CG 3.43Å; A265-E269 PolarHBondContact O-N 3.43Å; S266-E269 CarbonylContact O-C 3.43Å; S266-E269 PolarHBondContact O-N 2.88Å; S266-E269 VanDerWaalsContact O-N 3.13Å; I267-E269 PolarHBondContact O-N 3.29Å; E269-C271 PolarHBondContact O-N 3.41Å; E269-C271 VanDerWaalsContact O-N 3.15Å; E269-C271 PolarHBondContact O-SG 3.19Å
270	D	98.6	Very high	98.5	Very high	108 Å²	108	10.1 Å²	10.1	58%	0.578	6%	0.055	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	30.4	-179.5	-56.1	-48.7	0	0	0	113.6	S266 I267 V295	S266-D270 PolarHBondContact O-N 3.48Å; I267-D270 PolarHBondContact O-N 3.26Å; D270-V295 HydrophobicContact CB-CG2 4.49Å
271	C	98.8	Very high	98.5	Very high	5 Å²	5	10.1 Å²	10.1	3%	0.034	5%	0.054	C	C	.	.			trans	-104.9	130.3	-179.7	-64.8	0	0	0	0	110.3	I208 V222 S266 E269 V295	I208-C271 VanDerWaalsContact CG2-SG 3.6Å; V222-C271 HydrophobicContact CG2-CB 4.44Å; S266-C271 CarbonylContact C-O 3.42Å; S266-C271 WeakPolarHBondContact O-CB 3.46Å; S266-C271 PolarHBondContact O-N 2.85Å; E269-C271 PolarHBondContact O-N 3.41Å; E269-C271 VanDerWaalsContact O-N 3.15Å; E269-C271 PolarHBondContact O-SG 3.19Å; C271-V295 VanDerWaalsContact O-CG1 3.23Å; C271-V295 WeakPolarHBondContact O-CG1 3.29Å
272	A	98.9	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	143.1	175.5	0	0	0	0	0	110.7	I221 V222 F296 T432	I221-A272 HydrophobicContact CG1-CB 4.34Å; V222-A272 PolarHBondContact N-O 3.44Å; A272-F296 CarbonylContact C-O 3.38Å; A272-F296 WeakPolarHBondContact CA-O 3.41Å; A272-F296 HydrophobicContact CB-CB 4.04Å; A272-F296 WeakPolarHBondContact CB-O 2.97Å; A272-T432 HydrophobicContact CB-CG2 3.73Å
273	Y	98.9	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.1	-178.3	-177.3	-90.3	0	0	0	112.1	V222 W224 S259 F262 A263 S266 N275 T281 F282 F296 I297 G298	V222-Y273 HydrophobicContact CB-CD2 3.94Å; V222-Y273 HydrophobicContact CG1-CD2 3.7Å; V222-Y273 HydrophobicContact CG1-CE2 3.89Å; V222-Y273 CarbonylContact O-C 3.34Å; V222-Y273 WeakPolarHBondContact O-CA 3.28Å; W224-Y273 WeakPolarHBondContact CB-OH 3.4Å; S259-Y273 PolarHBondContact O-OH 2.95Å; F262-Y273 HydrophobicContact CB-CE2 3.76Å; A263-Y273 HydrophobicContact CB-CD1 3.71Å; A263-Y273 HydrophobicContact CB-CD2 4.38Å; A263-Y273 HydrophobicContact CB-CE1 3.72Å; A263-Y273 HydrophobicContact CB-CE2 4.42Å; A263-Y273 HydrophobicContact CB-CG 4.02Å; S266-Y273 WeakPolarHBondContact OG-CD2 3.28Å; Y273-N275 HydrophobicContact CE1-CB 4.29Å; Y273-T281 HydrophobicContact CE1-CG2 3.81Å; Y273-F282 AromaticContact CD1-CE1 3.63Å; Y273-F282 HydrophobicContact CD1-CE1 3.63Å; Y273-F282 AromaticContact CD1-CZ 3.75Å; Y273-F282 HydrophobicContact CD1-CZ 3.75Å; Y273-F282 HydrophobicContact CE1-CE1 4.07Å; Y273-F282 HydrophobicContact CE1-CZ 4.07Å; Y273-F296 PolarHBondContact N-O 3.35Å; Y273-I297 VanDerWaalsContact O-CA 3.26Å; Y273-I297 WeakPolarHBondContact O-CA 3.08Å; Y273-G298 PolarHBondContact O-N 2.8Å; Y273-G298 VanDerWaalsContact O-N 3.13Å
274	I	98.9	Very high	98.3	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.6	-178.4	-54.5	175.1	0	0	0	109.9	I221 V222 L223 W224 G298 L428 V429 T432 L458	I221-I274 HydrophobicContact CG2-CD1 3.89Å; I221-I274 HydrophobicContact CG2-CG1 4.27Å; V222-I274 PolarHBondContact O-N 3.24Å; L223-I274 CarbonylContact C-O 3.58Å; L223-I274 WeakPolarHBondContact CA-O 3.26Å; L223-I274 HydrophobicContact CB-CB 4.29Å; L223-I274 HydrophobicContact CD1-CB 4.03Å; L223-I274 HydrophobicContact CD1-CD1 4.34Å; L223-I274 HydrophobicContact CD1-CG2 3.96Å; L223-I274 HydrophobicContact CG-CB 4.04Å; L223-I274 HydrophobicContact CG-CG2 4.25Å; W224-I274 PolarHBondContact N-O 3.06Å; I274-G298 CarbonylContact C-O 3.52Å; I274-G298 VanDerWaalsContact CA-O 3.27Å; I274-G298 WeakPolarHBondContact CA-O 3.39Å; I274-L428 HydrophobicContact CD1-CB 4.08Å; I274-L428 HydrophobicContact CG2-CB 4.46Å; I274-L428 HydrophobicContact CG2-CD1 4.11Å; I274-L428 HydrophobicContact CG2-CD2 4.17Å; I274-L428 HydrophobicContact CG2-CG 4.5Å; I274-V429 HydrophobicContact CD1-CG1 4.31Å; I274-T432 HydrophobicContact CD1-CG2 4.37Å; I274-T432 VanDerWaalsContact CD1-OG1 3.29Å; I274-T432 WeakPolarHBondContact CD1-OG1 3.46Å; I274-L458 HydrophobicContact CD1-CD1 4.32Å; I274-L458 HydrophobicContact CG1-CD1 4.42Å
275	N	98.8	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	106.9	174.3	-176.2	22.1	0	0	0	111.1	Y273 S277 Q279 T281 F282 G298 G299 D300	Y273-N275 HydrophobicContact CE1-CB 4.29Å; N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact ND2-O 3Å; N275-S277 VanDerWaalsContact ND2-O 3.13Å; N275-S277 PolarHBondContact OD1-N 2.91Å; N275-S277 PolarHBondContact OD1-O 3.04Å; N275-Q279 PolarHBondContact ND2-O 2.94Å; N275-Q279 PolarHBondContact OD1-NE2 2.82Å; N275-T281 PolarHBondContact ND2-OG1 3.39Å; N275-F282 HydrophobicContact CB-CD2 4.45Å; N275-F282 HydrophobicContact CB-CE2 3.52Å; N275-F282 HydrophobicContact CB-CZ 3.77Å; N275-G298 PolarHBondContact N-O 2.83Å; N275-G299 WeakPolarHBondContact O-CA 3.46Å; N275-D300 WeakPolarHBondContact CB-OD1 3.38Å; N275-D300 PolarHBondContact ND2-OD1 3.45Å
276	G	98.3	Very high	98.3	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	8%	0.076	C	C	.	.			trans	-84.8	-1	177.2	0	0	0	0	0	115	W224 D301 F302	W224-G276 WeakPolarHBondContact O-CA 3.48Å; W224-G276 PolarHBondContact O-N 2.67Å; G276-D301 WeakPolarHBondContact O-CA 3.3Å; G276-F302 WeakPolarHBondContact O-CD2 3.48Å; G276-F302 PolarHBondContact O-N 2.79Å; G276-F302 VanDerWaalsContact O-N 3.07Å
277	S	97.3	Very high	98.3	Very high	7 Å²	7	15.7 Å²	15.7	5%	0.049	9%	0.087	C	C	.	.	S	Bend	trans	-119.1	167.4	-175.5	-69.4	0	0	0	0	111	W224 A226 N275 D301	W224-S277 VanDerWaalsContact CD1-OG 3.32Å; W224-S277 PolarHBondContact NE1-OG 3.29Å; A226-S277 PolarHBondContact O-OG 3.24Å; N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact ND2-O 3Å; N275-S277 VanDerWaalsContact ND2-O 3.13Å; N275-S277 PolarHBondContact OD1-N 2.91Å; N275-S277 PolarHBondContact OD1-O 3.04Å; S277-D301 PolarHBondContact O-N 2.9Å
278	P	96.7	Very high	98.3	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.026	10%	0.103	C	C	.	.	S	Bend	trans	-88.9	-6.5	-167.8	35.3	-37.3	0	0	0	115.4	T228 F231 D301 K350	T228-P278 HydrophobicContact CG2-CG 3.4Å; T228-P278 VanDerWaalsContact CG2-CG 3.4Å; T228-P278 WeakPolarHBondContact OG1-CD 3.31Å; F231-P278 WeakPolarHBondContact CE2-O 3.43Å; P278-D301 HydrophobicContact CB-CB 3.88Å; P278-K350 HydrophobicContact CB-CD 4.42Å; P278-K350 HydrophobicContact CG-CB 4.24Å; P278-K350 HydrophobicContact CG-CD 4.03Å
279	Q	97.6	Very high	98.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-64.1	153.6	178.3	70.1	-84	4.3	0	0	111.8	W224 E229 N275 T281	W224-Q279 VanDerWaalsContact NE1-NE2 3.18Å; E229-Q279 HydrophobicContact CB-CB 3.89Å; E229-Q279 HydrophobicContact CB-CG 3.86Å; E229-Q279 HydrophobicContact CG-CG 4.37Å; N275-Q279 PolarHBondContact ND2-O 2.94Å; N275-Q279 PolarHBondContact OD1-NE2 2.82Å; Q279-T281 WeakPolarHBondContact CG-OG1 3.44Å; Q279-T281 PolarHBondContact O-N 2.87Å
280	N	97	Very high	98.3	Very high	29 Å²	29	16.9 Å²	16.9	16%	0.155	9%	0.092	C	C	.	.			trans	-79.3	55	-179.9	62.8	-30.9	0	0	0	113.4	F231 C232 F282	F231-N280 WeakPolarHBondContact CA-OD1 3.45Å; F231-N280 WeakPolarHBondContact CB-OD1 3.4Å; F231-N280 HydrophobicContact CD1-CB 3.77Å; F231-N280 VanDerWaalsContact CD1-CG 3.49Å; F231-N280 HydrophobicContact CE1-CB 3.73Å; F231-N280 HydrophobicContact CG-CB 4.26Å; F231-N280 WeakPolarHBondContact CG-OD1 3.23Å; F231-N280 HydrophobicContact CZ-CB 4.18Å; C232-N280 PolarHBondContact N-OD1 3.19Å; C232-N280 PolarHBondContact O-ND2 2.82Å; N280-F282 PolarHBondContact O-N 3.47Å; N280-F282 VanDerWaalsContact O-N 3.16Å
281	T	98.4	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-52.4	-37	178	-60.3	0	0	0	0	112.7	S259 T260 A263 Y273 N275 Q279 V283	S259-T281 VanDerWaalsContact C-CG2 3.46Å; S259-T281 WeakPolarHBondContact CB-OG1 3.46Å; S259-T281 VanDerWaalsContact O-CG2 3.25Å; S259-T281 WeakPolarHBondContact O-CG2 3.22Å; S259-T281 PolarHBondContact OG-OG1 3.37Å; T260-T281 PolarHBondContact OG1-O 2.92Å; A263-T281 HydrophobicContact CB-CG2 3.91Å; Y273-T281 HydrophobicContact CE1-CG2 3.81Å; N275-T281 PolarHBondContact ND2-OG1 3.39Å; Q279-T281 WeakPolarHBondContact CG-OG1 3.44Å; Q279-T281 PolarHBondContact O-N 2.87Å; T281-V283 PolarHBondContact O-N 3.2Å
282	F	98.1	Very high	98.2	Very high	15 Å²	15	21.9 Å²	21.9	7%	0.066	11%	0.112	C	C	.	.			trans	-84.7	62.8	-178.2	-55.7	-59.8	0	0	0	111.9	Y273 N275 N280 I287 I297 G298 D300 L466	Y273-F282 AromaticContact CD1-CE1 3.63Å; Y273-F282 HydrophobicContact CD1-CE1 3.63Å; Y273-F282 AromaticContact CD1-CZ 3.75Å; Y273-F282 HydrophobicContact CD1-CZ 3.75Å; Y273-F282 HydrophobicContact CE1-CE1 4.07Å; Y273-F282 HydrophobicContact CE1-CZ 4.07Å; N275-F282 HydrophobicContact CB-CD2 4.45Å; N275-F282 HydrophobicContact CB-CE2 3.52Å; N275-F282 HydrophobicContact CB-CZ 3.77Å; N280-F282 PolarHBondContact O-N 3.47Å; N280-F282 VanDerWaalsContact O-N 3.16Å; F282-I287 HydrophobicContact CB-CD1 4.32Å; F282-I287 HydrophobicContact CB-CG1 3.99Å; F282-I287 WeakPolarHBondContact O-CD1 3.48Å; F282-I297 HydrophobicContact CD1-CB 4.16Å; F282-I297 HydrophobicContact CD1-CD1 3.8Å; F282-I297 HydrophobicContact CD1-CG2 4.43Å; F282-I297 HydrophobicContact CE1-CB 3.61Å; F282-I297 HydrophobicContact CE1-CD1 4.17Å; F282-I297 HydrophobicContact CE1-CG1 4.42Å; F282-I297 HydrophobicContact CE1-CG2 3.87Å; F282-I297 HydrophobicContact CG-CD1 4.32Å; F282-I297 HydrophobicContact CZ-CB 4.04Å; F282-G298 WeakPolarHBondContact CE2-O 3.26Å; F282-G298 WeakPolarHBondContact CZ-O 3.39Å; F282-D300 WeakPolarHBondContact CD2-OD1 3.39Å; F282-D300 WeakPolarHBondContact CE2-OD1 3.25Å; F282-L466 HydrophobicContact CB-CD1 4.32Å; F282-L466 HydrophobicContact CB-CD2 4.04Å; F282-L466 HydrophobicContact CD2-CD2 3.63Å; F282-L466 HydrophobicContact CE2-CD2 4.15Å; F282-L466 HydrophobicContact CG-CD2 3.82Å
283	V	97.8	Very high	98.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	13%	0.134	C	C	.	.			trans	-55.8	155.3	167.5	-60.2	0	0	0	0	110.5	I234 L245 T260 T281 G285 A286 I287	I234-V283 HydrophobicContact CD1-CB 4.01Å; I234-V283 HydrophobicContact CD1-CG1 3.67Å; L245-V283 HydrophobicContact CD1-CG2 4.25Å; L245-V283 HydrophobicContact CD2-CG2 4.07Å; T260-V283 HydrophobicContact CG2-CG2 4.08Å; T281-V283 PolarHBondContact O-N 3.2Å; V283-G285 PolarHBondContact O-N 2.85Å; V283-G285 VanDerWaalsContact O-N 3.08Å; V283-A286 HydrophobicContact CG2-CB 3.93Å; V283-A286 WeakPolarHBondContact O-CA 3.37Å; V283-A286 WeakPolarHBondContact O-CB 3.33Å; V283-A286 PolarHBondContact O-N 3.29Å; V283-I287 PolarHBondContact O-N 3.19Å
284	P	98.1	Very high	98.2	Very high	58 Å²	58	30.2 Å²	30.2	38%	0.377	16%	0.16	S	C	.	.	H	α-helix	trans	-51.8	-39.8	-173.8	-28.7	35.4	0	0	0	114	I234 A286 I287 E288	I234-P284 HydrophobicContact CG2-CG 4.22Å; P284-A286 VanDerWaalsContact C-N 3.33Å; P284-A286 PolarHBondContact O-N 3.05Å; P284-I287 PolarHBondContact O-N 3.05Å; P284-E288 WeakPolarHBondContact O-CB 3.29Å; P284-E288 PolarHBondContact O-N 2.68Å
285	G	98.4	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-30	176.7	0	0	0	0	0	114.6	S239 S241 A242 V283 L289	S239-G285 PolarHBondContact O-N 2.85Å; S241-G285 WeakPolarHBondContact O-CA 3.44Å; A242-G285 WeakPolarHBondContact CA-O 3.3Å; V283-G285 PolarHBondContact O-N 2.85Å; V283-G285 VanDerWaalsContact O-N 3.08Å; G285-L289 VanDerWaalsContact O-CB 3.28Å; G285-L289 WeakPolarHBondContact O-CB 3.3Å; G285-L289 PolarHBondContact O-N 3.21Å
286	A	98.5	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-73.5	-39	175.5	0	0	0	0	0	111.2	L245 V283 P284 L289 A290	L245-A286 HydrophobicContact CD2-CB 3.89Å; V283-A286 HydrophobicContact CG2-CB 3.93Å; V283-A286 WeakPolarHBondContact O-CA 3.37Å; V283-A286 WeakPolarHBondContact O-CB 3.33Å; V283-A286 PolarHBondContact O-N 3.29Å; P284-A286 VanDerWaalsContact C-N 3.33Å; P284-A286 PolarHBondContact O-N 3.05Å; A286-L289 PolarHBondContact O-N 2.88Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 3.3Å
287	I	98.6	Very high	98.2	Very high	42 Å²	42	31 Å²	31	22%	0.215	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-48.5	173.7	-61.6	173.4	0	0	0	109.9	F282 V283 P284 L289 A290 M291 I297 V454 L466	F282-I287 HydrophobicContact CB-CD1 4.32Å; F282-I287 HydrophobicContact CB-CG1 3.99Å; F282-I287 WeakPolarHBondContact O-CD1 3.48Å; V283-I287 PolarHBondContact O-N 3.19Å; P284-I287 PolarHBondContact O-N 3.05Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.73Å; I287-A290 PolarHBondContact O-N 2.98Å; I287-M291 HydrophobicContact CG2-SD 4Å; I287-M291 WeakPolarHBondContact O-CG 3.4Å; I287-M291 PolarHBondContact O-N 3.11Å; I287-I297 HydrophobicContact CB-CD1 4.43Å; I287-I297 HydrophobicContact CG1-CD1 4.06Å; I287-V454 HydrophobicContact CG2-CG2 4.01Å; I287-L466 HydrophobicContact CD1-CD1 4.25Å
288	E	98.6	Very high	98.2	Very high	75 Å²	75	30.7 Å²	30.7	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-59.7	-44.3	178	-169.5	-167.9	168.6	0	0	111.3	S241 A242 P284 A290 M291 Q292	S241-E288 WeakPolarHBondContact CA-OE2 3.33Å; S241-E288 VanDerWaalsContact CB-OE2 3.27Å; S241-E288 WeakPolarHBondContact CB-OE2 3.48Å; A242-E288 HydrophobicContact CB-CB 4.13Å; A242-E288 HydrophobicContact CB-CG 4.13Å; A242-E288 PolarHBondContact N-OE2 3.26Å; P284-E288 WeakPolarHBondContact O-CB 3.29Å; P284-E288 PolarHBondContact O-N 2.68Å; E288-A290 PolarHBondContact O-N 2.95Å; E288-M291 WeakPolarHBondContact O-CB 3.17Å; E288-M291 PolarHBondContact O-N 3.22Å; E288-Q292 VanDerWaalsContact O-CG 3.31Å; E288-Q292 WeakPolarHBondContact O-CG 3.41Å; E288-Q292 PolarHBondContact O-N 3Å; E288-Q292 PolarHBondContact OE1-NE2 3.08Å
289	L	98.8	Very high	98.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-42.6	177.9	-175.6	65.7	0	0	0	111.9	A242 L246 V264 I267 G285 A286 I287 M291 Q292 R293	A242-L289 HydrophobicContact CB-CB 3.93Å; A242-L289 HydrophobicContact CB-CD1 4.34Å; L246-L289 HydrophobicContact CD1-CD1 4.38Å; L246-L289 HydrophobicContact CD2-CD2 4.44Å; V264-L289 HydrophobicContact CB-CD2 4.41Å; V264-L289 HydrophobicContact CG1-CD2 3.89Å; V264-L289 HydrophobicContact CG2-CD2 4.2Å; I267-L289 HydrophobicContact CB-CD2 4.45Å; I267-L289 HydrophobicContact CG2-CD2 4.12Å; I267-L289 HydrophobicContact CG2-CG 3.78Å; G285-L289 VanDerWaalsContact O-CB 3.28Å; G285-L289 WeakPolarHBondContact O-CB 3.3Å; G285-L289 PolarHBondContact O-N 3.21Å; A286-L289 PolarHBondContact O-N 2.88Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.73Å; L289-M291 VanDerWaalsContact C-N 3.31Å; L289-M291 PolarHBondContact O-N 3.45Å; L289-Q292 PolarHBondContact O-N 3.05Å; L289-R293 WeakPolarHBondContact O-CG 3.33Å; L289-R293 PolarHBondContact O-N 2.85Å
290	A	98.8	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-37.8	176.1	0	0	0	0	0	112.2	I267 A286 I287 E288 G294 V295 I297 S453	I267-A290 HydrophobicContact CD1-CB 3.85Å; I267-A290 HydrophobicContact CG1-CB 4.23Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 3.3Å; I287-A290 PolarHBondContact O-N 2.98Å; E288-A290 PolarHBondContact O-N 2.95Å; A290-G294 PolarHBondContact O-N 3.29Å; A290-V295 PolarHBondContact O-N 3.04Å; A290-I297 HydrophobicContact CB-CD1 3.88Å; A290-I297 HydrophobicContact CB-CG1 4.06Å; A290-I297 HydrophobicContact CB-CG2 3.79Å; A290-S453 PolarHBondContact O-OG 3.28Å
291	M	98.4	Very high	98	Very high	97 Å²	97	30.4 Å²	30.4	48%	0.478	16%	0.161	S	C	.	.	H	α-helix	trans	-67.2	-45.8	174.5	-69.7	171.8	63.7	0	0	111.9	I287 E288 L289 R293 G294 S453	I287-M291 HydrophobicContact CG2-SD 4Å; I287-M291 WeakPolarHBondContact O-CG 3.4Å; I287-M291 PolarHBondContact O-N 3.11Å; E288-M291 WeakPolarHBondContact O-CB 3.17Å; E288-M291 PolarHBondContact O-N 3.22Å; L289-M291 VanDerWaalsContact C-N 3.31Å; L289-M291 PolarHBondContact O-N 3.45Å; M291-R293 PolarHBondContact O-N 3.45Å; M291-G294 PolarHBondContact O-N 3.15Å; M291-G294 VanDerWaalsContact O-N 3.17Å; M291-S453 WeakPolarHBondContact CA-OG 3.37Å
292	Q	98.4	Very high	98	Very high	120 Å²	120	31 Å²	31	56%	0.561	16%	0.164	S	C	*	.	H	α-helix	trans	-60.1	-33.7	177.3	-72	173.6	5.3	0	0	112.5	E288 L289	E288-Q292 VanDerWaalsContact O-CG 3.31Å; E288-Q292 WeakPolarHBondContact O-CG 3.41Å; E288-Q292 PolarHBondContact O-N 3Å; E288-Q292 PolarHBondContact OE1-NE2 3.08Å; L289-Q292 PolarHBondContact O-N 3.05Å
293	R	98.3	Very high	97.9	Very high	123 Å²	123	30.3 Å²	30.3	46%	0.464	16%	0.161	S	C	.	.	H	α-helix	trans	-90.5	-10.6	178.6	-66.2	-61.6	-150.9	167.2	12.2	114.4	I267 L289 M291 V295	I267-R293 HydrophobicContact CG2-CB 3.92Å; I267-R293 HydrophobicContact CG2-CG 3.76Å; L289-R293 WeakPolarHBondContact O-CG 3.33Å; L289-R293 PolarHBondContact O-N 2.85Å; M291-R293 PolarHBondContact O-N 3.45Å; R293-V295 HydrophobicContact CB-CB 4.42Å; R293-V295 HydrophobicContact CB-CG2 3.83Å; R293-V295 PolarHBondContact O-N 3.16Å
294	G	97.8	Very high	97.5	Very high	53 Å²	53	30.9 Å²	30.9	55%	0.546	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	27	-173.2	0	0	0	0	0	113.9	A290 M291	A290-G294 PolarHBondContact O-N 3.29Å; M291-G294 PolarHBondContact O-N 3.15Å; M291-G294 VanDerWaalsContact O-N 3.17Å
295	V	98.4	Very high	97.2	Very high	10 Å²	10	28.4 Å²	28.4	6%	0.061	15%	0.15	C	C	.	.			trans	-96.6	140.5	-178.1	173.6	0	0	0	0	110.2	I267 D270 C271 A290 R293 S453	I267-V295 HydrophobicContact CG1-CG1 4.3Å; I267-V295 HydrophobicContact CG2-CB 4.4Å; D270-V295 HydrophobicContact CB-CG2 4.49Å; C271-V295 VanDerWaalsContact O-CG1 3.23Å; C271-V295 WeakPolarHBondContact O-CG1 3.29Å; A290-V295 PolarHBondContact O-N 3.04Å; R293-V295 HydrophobicContact CB-CB 4.42Å; R293-V295 HydrophobicContact CB-CG2 3.83Å; R293-V295 PolarHBondContact O-N 3.16Å; V295-S453 WeakPolarHBondContact O-CB 3.45Å; V295-S453 PolarHBondContact O-OG 2.79Å
296	F	98.8	Very high	97	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.035	15%	0.151	C	C	.	.			trans	-76.2	135.8	177.5	-65.8	-44.9	0	0	0	113.3	A272 Y273 T432 C435 Q436 S450 F451 H452 S453 L455	A272-F296 CarbonylContact C-O 3.38Å; A272-F296 WeakPolarHBondContact CA-O 3.41Å; A272-F296 HydrophobicContact CB-CB 4.04Å; A272-F296 WeakPolarHBondContact CB-O 2.97Å; Y273-F296 PolarHBondContact N-O 3.35Å; F296-T432 HydrophobicContact CB-CG2 4.46Å; F296-C435 HydrophobicContact CE2-CB 4.1Å; F296-Q436 HydrophobicContact CD2-CG 3.49Å; F296-Q436 VanDerWaalsContact CD2-CG 3.49Å; F296-Q436 HydrophobicContact CE2-CB 4.25Å; F296-Q436 HydrophobicContact CE2-CG 3.59Å; F296-S450 VanDerWaalsContact CZ-OG 3.25Å; F296-S450 WeakPolarHBondContact CZ-OG 3.4Å; F296-F451 HydrophobicContact CE1-CB 3.92Å; F296-F451 WeakPolarHBondContact CE1-O 3.46Å; F296-F451 HydrophobicContact CZ-CB 3.99Å; F296-H452 WeakPolarHBondContact CE1-O 3.28Å; F296-S453 CarbonylContact C-O 3.59Å; F296-S453 VanDerWaalsContact CA-O 3.28Å; F296-S453 WeakPolarHBondContact CA-O 3.27Å; F296-L455 HydrophobicContact CD1-CB 4.45Å; F296-L455 HydrophobicContact CD1-CD1 4.38Å; F296-L455 HydrophobicContact CD2-CD2 4.48Å; F296-L455 HydrophobicContact CE1-CD1 4.33Å; F296-L455 HydrophobicContact CG-CD2 4.44Å
297	I	98.8	Very high	96.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.2	167	58	170.3	0	0	0	109.8	I267 Y273 F282 I287 A290 S453 V454 L455 L466	I267-I297 HydrophobicContact CD1-CG2 4.1Å; I267-I297 HydrophobicContact CG1-CG2 4.26Å; Y273-I297 VanDerWaalsContact O-CA 3.26Å; Y273-I297 WeakPolarHBondContact O-CA 3.08Å; F282-I297 HydrophobicContact CD1-CB 4.16Å; F282-I297 HydrophobicContact CD1-CD1 3.8Å; F282-I297 HydrophobicContact CD1-CG2 4.43Å; F282-I297 HydrophobicContact CE1-CB 3.61Å; F282-I297 HydrophobicContact CE1-CD1 4.17Å; F282-I297 HydrophobicContact CE1-CG1 4.42Å; F282-I297 HydrophobicContact CE1-CG2 3.87Å; F282-I297 HydrophobicContact CG-CD1 4.32Å; F282-I297 HydrophobicContact CZ-CB 4.04Å; I287-I297 HydrophobicContact CB-CD1 4.43Å; I287-I297 HydrophobicContact CG1-CD1 4.06Å; A290-I297 HydrophobicContact CB-CD1 3.88Å; A290-I297 HydrophobicContact CB-CG1 4.06Å; A290-I297 HydrophobicContact CB-CG2 3.79Å; I297-S453 PolarHBondContact N-O 3.25Å; I297-V454 HydrophobicContact CD1-CG2 4.1Å; I297-V454 HydrophobicContact CG1-CG2 4.19Å; I297-L455 PolarHBondContact O-N 3.21Å; I297-L466 HydrophobicContact CD1-CD2 3.96Å; I297-L466 HydrophobicContact CG1-CD2 4.25Å
298	G	98.1	Very high	96.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	163	177	0	0	0	0	0	113.4	Y273 I274 N275 F282	Y273-G298 PolarHBondContact O-N 2.8Å; Y273-G298 VanDerWaalsContact O-N 3.13Å; I274-G298 CarbonylContact C-O 3.52Å; I274-G298 VanDerWaalsContact CA-O 3.27Å; I274-G298 WeakPolarHBondContact CA-O 3.39Å; N275-G298 PolarHBondContact N-O 2.83Å; F282-G298 WeakPolarHBondContact CE2-O 3.26Å; F282-G298 WeakPolarHBondContact CZ-O 3.39Å
299	G	96.1	Very high	96.4	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	15%	0.149	C	C	.	.			trans	153.6	-171.1	-166.7	0	0	0	0	0	109	N275 P465 L466	N275-G299 WeakPolarHBondContact O-CA 3.46Å; G299-P465 CarbonylContact O-C 3.44Å; G299-P465 WeakPolarHBondContact O-CA 3.35Å; G299-L466 PolarHBondContact O-N 2.77Å
300	D	94.8	Very high	96.3	Very high	20 Å²	20	28 Å²	28	11%	0.107	15%	0.148	C	C	.	.	S	Bend	cis	-115.6	153.2	-0.9	-65.7	-36.1	0	0	0	111.5	N275 F282 K463 A464	N275-D300 WeakPolarHBondContact CB-OD1 3.38Å; N275-D300 PolarHBondContact ND2-OD1 3.45Å; F282-D300 WeakPolarHBondContact CD2-OD1 3.39Å; F282-D300 WeakPolarHBondContact CE2-OD1 3.25Å; D300-K463 PolarHBondContact O-N 3.24Å; D300-K463 VanDerWaalsContact O-N 3.12Å; D300-A464 PolarHBondContact N-O 3.21Å; D300-A464 PolarHBondContact O-N 3.29Å; D300-A464 VanDerWaalsContact O-N 3.08Å
301	D	96.8	Very high	96.1	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	15%	0.149	C	C	.	.	S	Bend	trans	63	121.7	173.4	-165.3	16.3	0	0	0	115.9	G276 S277 P278 K303 K350 S353 C462 K463	G276-D301 WeakPolarHBondContact O-CA 3.3Å; S277-D301 PolarHBondContact O-N 2.9Å; P278-D301 HydrophobicContact CB-CB 3.88Å; D301-K303 PolarHBondContact O-N 3.08Å; D301-K350 IonicContact OD1-NZ 3.53Å; D301-K350 PolarHBondContact OD1-NZ 2.92Å; D301-K350 WeakPolarHBondContact OD2-CD 3.41Å; D301-K350 IonicContact OD2-NZ 3.86Å; D301-S353 PolarHBondContact OD2-OG 3.32Å; D301-C462 CarbonylContact O-C 3.56Å; D301-C462 VanDerWaalsContact O-CA 3.28Å; D301-C462 WeakPolarHBondContact O-CA 3.17Å; D301-K463 HydrophobicContact CB-CB 4.21Å; D301-K463 HydrophobicContact CB-CG 4.41Å; D301-K463 WeakPolarHBondContact O-CG 3.22Å; D301-K463 PolarHBondContact O-N 3.46Å; D301-K463 IonicContact OD1-NZ 2.7Å; D301-K463 PolarHBondContact OD1-NZ 2.96Å; D301-K463 VanDerWaalsContact OD2-CD 3.26Å; D301-K463 WeakPolarHBondContact OD2-CD 3.33Å; D301-K463 IonicContact OD2-NZ 3.68Å; D301-K463 PolarHBondContact OD2-NZ 3.14Å
302	F	97.3	Very high	96	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.057	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-58.4	128.4	-176.7	-58.7	-47.4	0	0	0	114.4	L223 G276 S304 A421 I424 I425 L428 K463	L223-F302 HydrophobicContact CD1-CE1 4.49Å; L223-F302 HydrophobicContact CD2-CE1 4.38Å; L223-F302 HydrophobicContact CD2-CZ 3.85Å; G276-F302 WeakPolarHBondContact O-CD2 3.48Å; G276-F302 PolarHBondContact O-N 2.79Å; G276-F302 VanDerWaalsContact O-N 3.07Å; F302-S304 PolarHBondContact O-N 2.98Å; F302-S304 VanDerWaalsContact O-N 3.1Å; F302-A421 HydrophobicContact CD2-CB 4.26Å; F302-I424 HydrophobicContact CB-CG2 4.3Å; F302-I424 HydrophobicContact CD1-CG2 3.79Å; F302-I424 HydrophobicContact CG-CG2 4.31Å; F302-I425 HydrophobicContact CE1-CG1 3.88Å; F302-I425 HydrophobicContact CE2-CD1 4.09Å; F302-I425 HydrophobicContact CE2-CG1 4.03Å; F302-I425 HydrophobicContact CZ-CD1 3.88Å; F302-I425 HydrophobicContact CZ-CG1 3.44Å; F302-I425 VanDerWaalsContact CZ-CG1 3.44Å; F302-L428 HydrophobicContact CD1-CD1 3.68Å; F302-L428 HydrophobicContact CE1-CD1 3.48Å; F302-L428 VanDerWaalsContact CE1-CD1 3.48Å; F302-K463 WeakPolarHBondContact O-CE 3.32Å; F302-K463 WeakPolarHBondContact O-CG 3.33Å; F302-K463 PolarHBondContact O-NZ 3.49Å
303	K	96.4	Very high	95.9	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.119	C	C	.	.			trans	-85.8	73	174.4	-170.7	-178.3	-82.1	151.8	0	111	D301 K308 I424 S459 L461 C462 K463	D301-K303 PolarHBondContact O-N 3.08Å; K303-K308 HydrophobicContact CG-CB 3.93Å; K303-K308 HydrophobicContact CG-CG 4.31Å; K303-I424 WeakPolarHBondContact O-CD1 3.34Å; K303-S459 PolarHBondContact NZ-O 3.04Å; K303-L461 PolarHBondContact N-O 3.37Å; K303-C462 WeakPolarHBondContact CE-O 3.38Å; K303-C462 PolarHBondContact NZ-O 3.33Å; K303-K463 HydrophobicContact CB-CG 4.14Å
304	S	89.6	Confident	95.8	Very high	15 Å²	15	15.6 Å²	15.6	11%	0.105	10%	0.098	C	C	.	.			trans	-82.8	-81.4	-174.4	62.5	0	0	0	0	114.7	F302 K308 D417	F302-S304 PolarHBondContact O-N 2.98Å; F302-S304 VanDerWaalsContact O-N 3.1Å; S304-K308 WeakPolarHBondContact O-CB 3.47Å; S304-K308 VanDerWaalsContact O-CD 3.24Å; S304-K308 WeakPolarHBondContact O-CD 3.45Å; S304-D417 PolarHBondContact OG-OD1 3.3Å
305	G	91.2	Very high	95.7	Very high	6 Å²	6	14.1 Å²	14.1	6%	0.062	8%	0.077	C	C	.	.	S	Bend	trans	-104.5	-93.4	-170.1	0	0	0	0	0	114.2	T307 K308 I309	G305-T307 PolarHBondContact O-N 3.28Å; G305-K308 WeakPolarHBondContact O-CB 3.44Å; G305-K308 PolarHBondContact O-N 3.47Å; G305-K308 VanDerWaalsContact O-N 3.13Å; G305-I309 PolarHBondContact O-N 3.49Å
306	Q	94.1	Very high	95.6	Very high	4 Å²	4	19 Å²	19	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-52	-52.5	-172.9	179.7	-179.3	68.9	0	0	113	K308 I309 K310 Y330 N331 A393 D395	Q306-K308 VanDerWaalsContact C-N 3.27Å; Q306-K308 PolarHBondContact O-N 3.07Å; Q306-I309 PolarHBondContact O-N 3.46Å; Q306-K310 WeakPolarHBondContact O-CB 3.41Å; Q306-K310 PolarHBondContact O-N 3.26Å; Q306-Y330 PolarHBondContact NE2-O 2.99Å; Q306-N331 PolarHBondContact NE2-ND2 3.17Å; Q306-N331 PolarHBondContact NE2-OD1 3.19Å; Q306-N331 VanDerWaalsContact NE2-OD1 3.14Å; Q306-N331 VanDerWaalsContact OE1-CG 3.27Å; Q306-N331 PolarHBondContact OE1-ND2 3.48Å; Q306-N331 PolarHBondContact OE1-OD1 3.24Å; Q306-A393 HydrophobicContact CB-CB 3.89Å; Q306-A393 HydrophobicContact CG-CB 4.17Å; Q306-D395 WeakPolarHBondContact CG-OD1 3.4Å; Q306-D395 WeakPolarHBondContact CG-OD2 3.46Å; Q306-D395 PolarHBondContact NE2-OD1 2.97Å; Q306-D395 VanDerWaalsContact NE2-OD1 3.09Å; Q306-D395 PolarHBondContact NE2-OD2 2.95Å
307	T	92.8	Very high	95.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-32	-176.9	-55	0	0	0	0	112.3	G305 K310 S311 V357 K463	G305-T307 PolarHBondContact O-N 3.28Å; T307-K310 PolarHBondContact O-N 3.22Å; T307-S311 PolarHBondContact O-N 2.93Å; T307-S311 PolarHBondContact O-OG 3.15Å; T307-V357 HydrophobicContact CG2-CB 4.18Å; T307-V357 HydrophobicContact CG2-CG1 4.16Å; T307-V357 HydrophobicContact CG2-CG2 3.83Å; T307-K463 HydrophobicContact CG2-CB 4.12Å; T307-K463 HydrophobicContact CG2-CD 3.81Å; T307-K463 HydrophobicContact CG2-CG 3.79Å; T307-K463 WeakPolarHBondContact OG1-CD 3.15Å; T307-K463 WeakPolarHBondContact OG1-CE 3.08Å
308	K	95.4	Very high	95.5	Very high	51 Å²	51	18.7 Å²	18.7	22%	0.222	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-47.8	175.1	-166.2	175.1	-174.9	167.8	0	110.7	K303 S304 G305 Q306 S311 V312 F477	K303-K308 HydrophobicContact CG-CB 3.93Å; K303-K308 HydrophobicContact CG-CG 4.31Å; S304-K308 WeakPolarHBondContact O-CB 3.47Å; S304-K308 VanDerWaalsContact O-CD 3.24Å; S304-K308 WeakPolarHBondContact O-CD 3.45Å; G305-K308 WeakPolarHBondContact O-CB 3.44Å; G305-K308 PolarHBondContact O-N 3.47Å; G305-K308 VanDerWaalsContact O-N 3.13Å; Q306-K308 VanDerWaalsContact C-N 3.27Å; Q306-K308 PolarHBondContact O-N 3.07Å; K308-S311 PolarHBondContact O-N 3.44Å; K308-S311 PolarHBondContact O-OG 2.9Å; K308-V312 PolarHBondContact O-N 3.29Å; K308-F477 HydrophobicContact CD-CE2 4.11Å; K308-F477 HydrophobicContact CG-CD2 4.04Å; K308-F477 HydrophobicContact CG-CE2 3.66Å; K308-F477 HydrophobicContact CG-CZ 4.42Å
309	I	95.9	Very high	95.4	Very high	56 Å²	56	22.9 Å²	22.9	29%	0.287	13%	0.126	S	C	.	.	H	α-helix	trans	-65.9	-40.7	175.5	-64.6	-177.1	0	0	0	111.3	G305 Q306 S311 V312 L313 L411 N413	G305-I309 PolarHBondContact O-N 3.49Å; Q306-I309 PolarHBondContact O-N 3.46Å; I309-S311 VanDerWaalsContact C-N 3.31Å; I309-S311 PolarHBondContact O-N 3.02Å; I309-V312 WeakPolarHBondContact O-CA 3.42Å; I309-V312 WeakPolarHBondContact O-CB 3.42Å; I309-V312 PolarHBondContact O-N 3.38Å; I309-L313 HydrophobicContact CG2-CD1 3.69Å; I309-L313 HydrophobicContact CG2-CG 3.92Å; I309-L313 PolarHBondContact O-N 3.26Å; I309-L411 HydrophobicContact CD1-CD2 4.43Å; I309-L411 HydrophobicContact CG2-CD2 3.91Å; I309-N413 VanDerWaalsContact CD1-ND2 3.28Å; I309-N413 WeakPolarHBondContact CD1-ND2 3.37Å
310	K	95.6	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-46	175.6	-177.6	-179	-71.3	174.1	0	111.9	Q306 T307 V312 L313 V314 S329 V357 V358 H377 Y397	Q306-K310 WeakPolarHBondContact O-CB 3.41Å; Q306-K310 PolarHBondContact O-N 3.26Å; T307-K310 PolarHBondContact O-N 3.22Å; K310-V312 PolarHBondContact O-N 2.92Å; K310-L313 PolarHBondContact O-N 2.86Å; K310-V314 HydrophobicContact CG-CG2 4.32Å; K310-V314 WeakPolarHBondContact O-CG2 3.36Å; K310-V314 PolarHBondContact O-N 2.79Å; K310-S329 WeakPolarHBondContact CE-OG 3.48Å; K310-S329 PolarHBondContact NZ-OG 2.7Å; K310-V357 HydrophobicContact CD-CG1 3.47Å; K310-V357 VanDerWaalsContact CD-CG1 3.47Å; K310-V357 HydrophobicContact CG-CG1 4.06Å; K310-V358 HydrophobicContact CD-CG1 4.09Å; K310-V358 HydrophobicContact CG-CG1 4.2Å; K310-H377 PolarHBondContact NZ-NE2 3.45Å; K310-H377 VanDerWaalsContact NZ-NE2 3.13Å; K310-Y397 WeakPolarHBondContact CA-OH 3.46Å; K310-Y397 WeakPolarHBondContact CB-OH 3.49Å; K310-Y397 HydrophobicContact CG-CE1 4.33Å
311	S	94.5	Very high	95.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-22.2	176.6	58.4	0	0	0	0	114.2	T307 K308 I309 D315 N475	T307-S311 PolarHBondContact O-N 2.93Å; T307-S311 PolarHBondContact O-OG 3.15Å; K308-S311 PolarHBondContact O-N 3.44Å; K308-S311 PolarHBondContact O-OG 2.9Å; I309-S311 VanDerWaalsContact C-N 3.31Å; I309-S311 PolarHBondContact O-N 3.02Å; S311-D315 VanDerWaalsContact O-CB 3.31Å; S311-D315 WeakPolarHBondContact O-CB 3.36Å; S311-N475 WeakPolarHBondContact CB-O 3.39Å
312	V	96.5	Very high	95.7	Very high	43 Å²	43	28.1 Å²	28.1	26%	0.261	17%	0.171	S	C	.	.	H	α-helix	trans	-82.3	-46.8	172.8	172.9	0	0	0	0	110.8	K308 I309 K310 D315 F316 F477 F478	K308-V312 PolarHBondContact O-N 3.29Å; I309-V312 WeakPolarHBondContact O-CA 3.42Å; I309-V312 WeakPolarHBondContact O-CB 3.42Å; I309-V312 PolarHBondContact O-N 3.38Å; K310-V312 PolarHBondContact O-N 2.92Å; V312-D315 PolarHBondContact O-N 3.18Å; V312-F316 WeakPolarHBondContact O-CB 3.41Å; V312-F316 PolarHBondContact O-N 2.98Å; V312-F477 HydrophobicContact CG2-CB 3.63Å; V312-F477 HydrophobicContact CG2-CD1 3.61Å; V312-F477 HydrophobicContact CG2-CD2 4.39Å; V312-F477 HydrophobicContact CG2-CE1 4.35Å; V312-F477 HydrophobicContact CG2-CG 3.61Å; V312-F478 HydrophobicContact CG1-CE2 4.08Å; V312-F478 HydrophobicContact CG2-CE2 4.44Å
313	L	96.9	Very high	95.8	Very high	30 Å²	30	29 Å²	29	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-43.9	-175.5	-72.4	177.4	0	0	0	112.1	I309 K310 F316 L317 Y397	I309-L313 HydrophobicContact CG2-CD1 3.69Å; I309-L313 HydrophobicContact CG2-CG 3.92Å; I309-L313 PolarHBondContact O-N 3.26Å; K310-L313 PolarHBondContact O-N 2.86Å; L313-F316 PolarHBondContact O-N 2.89Å; L313-L317 WeakPolarHBondContact O-CB 3.49Å; L313-L317 WeakPolarHBondContact O-CG 3.2Å; L313-L317 PolarHBondContact O-N 2.83Å; L313-Y397 HydrophobicContact CB-CE1 4.35Å; L313-Y397 HydrophobicContact CD1-CD2 4.08Å; L313-Y397 HydrophobicContact CD1-CE1 4.45Å; L313-Y397 HydrophobicContact CD1-CE2 3.53Å
314	V	95.8	Very high	95.8	Very high	3 Å²	3	29 Å²	29	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-40.3	179.6	175.4	0	0	0	0	111	K310 L317 V318 I327 V358 M361 Y397	K310-V314 HydrophobicContact CG-CG2 4.32Å; K310-V314 WeakPolarHBondContact O-CG2 3.36Å; K310-V314 PolarHBondContact O-N 2.79Å; V314-L317 PolarHBondContact O-N 2.88Å; V314-V318 HydrophobicContact CG1-CG2 4.28Å; V314-V318 WeakPolarHBondContact O-CB 3.25Å; V314-V318 WeakPolarHBondContact O-CG2 3.39Å; V314-V318 PolarHBondContact O-N 2.86Å; V314-I327 HydrophobicContact CG2-CD1 3.87Å; V314-V358 HydrophobicContact CB-CG1 4.44Å; V314-V358 HydrophobicContact CG1-CB 4.22Å; V314-V358 HydrophobicContact CG1-CG1 4.33Å; V314-V358 HydrophobicContact CG2-CG1 3.81Å; V314-M361 HydrophobicContact CG1-CB 3.84Å; V314-M361 HydrophobicContact CG1-CG 4.35Å; V314-Y397 HydrophobicContact CG2-CE1 4.14Å
315	D	95.6	Very high	96.2	Very high	22 Å²	22	29.9 Å²	29.9	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-48.5	173.7	-175	34	0	0	0	111.4	S311 V312 S319 M361 A476	S311-D315 VanDerWaalsContact O-CB 3.31Å; S311-D315 WeakPolarHBondContact O-CB 3.36Å; V312-D315 PolarHBondContact O-N 3.18Å; D315-S319 WeakPolarHBondContact O-CB 3.12Å; D315-S319 PolarHBondContact O-N 3.49Å; D315-S319 PolarHBondContact O-OG 3.37Å; D315-M361 HydrophobicContact CB-CE 4.48Å; D315-M361 HydrophobicContact CB-SD 4.38Å; D315-M361 WeakPolarHBondContact OD1-CE 3.42Å; D315-A476 HydrophobicContact CB-CB 4.38Å
316	F	97.3	Very high	96.5	Very high	113 Å²	113	30.9 Å²	30.9	50%	0.496	19%	0.186	S	C	.	.	H	α-helix	trans	-58.6	-52.5	174.9	159.5	-108.6	0	0	0	112.9	V312 L313 S319 A320	V312-F316 WeakPolarHBondContact O-CB 3.41Å; V312-F316 PolarHBondContact O-N 2.98Å; L313-F316 PolarHBondContact O-N 2.89Å; F316-S319 PolarHBondContact O-N 3.01Å; F316-A320 HydrophobicContact CE2-CB 4.33Å; F316-A320 VanDerWaalsContact O-CB 3.26Å; F316-A320 WeakPolarHBondContact O-CB 3.5Å; F316-A320 PolarHBondContact O-N 2.84Å
317	L	97.7	Very high	96.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-50.6	-174.5	-70.9	168.4	0	0	0	110.9	L313 V314 S319 A320 G321 I322 P324 Y397 I409	L313-L317 WeakPolarHBondContact O-CB 3.49Å; L313-L317 WeakPolarHBondContact O-CG 3.2Å; L313-L317 PolarHBondContact O-N 2.83Å; V314-L317 PolarHBondContact O-N 2.88Å; L317-S319 PolarHBondContact O-N 2.81Å; L317-A320 PolarHBondContact O-N 3.46Å; L317-G321 PolarHBondContact O-N 2.98Å; L317-I322 CarbonylContact C-O 3.55Å; L317-I322 HydrophobicContact CB-CB 4.39Å; L317-I322 HydrophobicContact CD2-CB 4.22Å; L317-I322 HydrophobicContact CD2-CD1 4.1Å; L317-I322 HydrophobicContact CD2-CG2 3.89Å; L317-I322 WeakPolarHBondContact O-CB 3.47Å; L317-I322 PolarHBondContact O-N 3.02Å; L317-I322 VanDerWaalsContact O-O 3.06Å; L317-P324 HydrophobicContact CB-CG 3.87Å; L317-P324 HydrophobicContact CD1-CG 3.97Å; L317-Y397 HydrophobicContact CD1-CD1 4.46Å; L317-I409 HydrophobicContact CD2-CD1 4.12Å
318	V	97.3	Very high	97	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-41.1	-179.5	174.2	0	0	0	0	111.1	V314 A320 G321 P324 M361 N365 L368 Y369	V314-V318 HydrophobicContact CG1-CG2 4.28Å; V314-V318 WeakPolarHBondContact O-CB 3.25Å; V314-V318 WeakPolarHBondContact O-CG2 3.39Å; V314-V318 PolarHBondContact O-N 2.86Å; V318-A320 VanDerWaalsContact C-N 3.26Å; V318-A320 PolarHBondContact O-N 3.36Å; V318-G321 PolarHBondContact O-N 2.86Å; V318-G321 VanDerWaalsContact O-N 3.09Å; V318-P324 HydrophobicContact CG2-CG 4.31Å; V318-M361 HydrophobicContact CB-CE 3.91Å; V318-M361 HydrophobicContact CG1-CE 3.9Å; V318-N365 HydrophobicContact CG1-CB 3.65Å; V318-N365 PolarHBondContact O-ND2 3.2Å; V318-L368 HydrophobicContact CG1-CD1 4.39Å; V318-Y369 HydrophobicContact CG2-CE2 4.28Å
319	S	96.8	Very high	97.1	Very high	89 Å²	89	30.9 Å²	30.9	62%	0.622	19%	0.19	S	C	*	.	H	α-helix	trans	-65.4	-29.6	176.9	-64.3	0	0	0	0	112.8	D315 F316 L317 G321	D315-S319 WeakPolarHBondContact O-CB 3.12Å; D315-S319 PolarHBondContact O-N 3.49Å; D315-S319 PolarHBondContact O-OG 3.37Å; F316-S319 PolarHBondContact O-N 3.01Å; L317-S319 PolarHBondContact O-N 2.81Å; S319-G321 PolarHBondContact O-N 3.17Å
320	A	97.4	Very high	97.1	Very high	55 Å²	55	31.9 Å²	31.9	46%	0.455	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.8	175.1	0	0	0	0	0	113.6	F316 L317 V318 I322	F316-A320 HydrophobicContact CE2-CB 4.33Å; F316-A320 VanDerWaalsContact O-CB 3.26Å; F316-A320 WeakPolarHBondContact O-CB 3.5Å; F316-A320 PolarHBondContact O-N 2.84Å; L317-A320 PolarHBondContact O-N 3.46Å; V318-A320 VanDerWaalsContact C-N 3.26Å; V318-A320 PolarHBondContact O-N 3.36Å; A320-I322 VanDerWaalsContact C-N 3.29Å; A320-I322 HydrophobicContact CB-CD1 4.18Å; A320-I322 HydrophobicContact CB-CG1 4.36Å; A320-I322 PolarHBondContact O-N 3.13Å
321	G	97.7	Very high	97.1	Very high	46 Å²	46	32 Å²	32	47%	0.474	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	20.1	-176.8	0	0	0	0	0	113.7	L317 V318 S319	L317-G321 PolarHBondContact O-N 2.98Å; V318-G321 PolarHBondContact O-N 2.86Å; V318-G321 VanDerWaalsContact O-N 3.09Å; S319-G321 PolarHBondContact O-N 3.17Å
322	I	98.3	Very high	97.3	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.185	20%	0.197	C	C	.	.			trans	-95.9	134.2	174.4	-61.6	168.2	0	0	0	107.2	L317 A320 P324 L368 I401	L317-I322 CarbonylContact C-O 3.55Å; L317-I322 HydrophobicContact CB-CB 4.39Å; L317-I322 HydrophobicContact CD2-CB 4.22Å; L317-I322 HydrophobicContact CD2-CD1 4.1Å; L317-I322 HydrophobicContact CD2-CG2 3.89Å; L317-I322 WeakPolarHBondContact O-CB 3.47Å; L317-I322 PolarHBondContact O-N 3.02Å; L317-I322 VanDerWaalsContact O-O 3.06Å; A320-I322 VanDerWaalsContact C-N 3.29Å; A320-I322 HydrophobicContact CB-CD1 4.18Å; A320-I322 HydrophobicContact CB-CG1 4.36Å; A320-I322 PolarHBondContact O-N 3.13Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; I322-L368 WeakPolarHBondContact O-CD1 3.3Å; I322-I401 HydrophobicContact CG1-CG2 4.26Å; I322-I401 HydrophobicContact CG2-CG2 3.9Å
323	K	98.3	Very high	97.3	Very high	30 Å²	30	31.4 Å²	31.4	13%	0.13	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	96.1	-174.7	-177	-171.3	174.5	-161.6	0	111.1	T325 L368 Y369 E373 S399 E400	K323-T325 HydrophobicContact CD-CG2 4.24Å; K323-T325 HydrophobicContact CG-CG2 4.24Å; K323-T325 PolarHBondContact O-N 2.76Å; K323-L368 HydrophobicContact CB-CB 4.26Å; K323-L368 HydrophobicContact CB-CD1 4.39Å; K323-L368 HydrophobicContact CB-CD2 4.23Å; K323-L368 WeakPolarHBondContact CD-O 3.26Å; K323-L368 WeakPolarHBondContact CE-O 3.45Å; K323-L368 HydrophobicContact CG-CB 4.16Å; K323-Y369 HydrophobicContact CG-CD1 4.42Å; K323-Y369 HydrophobicContact CG-CE1 3.81Å; K323-Y369 HydrophobicContact CG-CE2 4.47Å; K323-E373 WeakPolarHBondContact CE-OE1 3.2Å; K323-E373 IonicContact NZ-OE1 3.71Å; K323-E373 PolarHBondContact NZ-OE1 3.24Å; K323-S399 CarbonylContact O-C 3.02Å; K323-S399 WeakPolarHBondContact O-CA 3.08Å; K323-S399 VanDerWaalsContact O-CB 3.27Å; K323-S399 WeakPolarHBondContact O-CB 3.5Å; K323-E400 HydrophobicContact CB-CB 4.35Å; K323-E400 HydrophobicContact CD-CB 4.48Å; K323-E400 WeakPolarHBondContact CD-OE2 3.24Å; K323-E400 PolarHBondContact N-O 3.32Å; K323-E400 VanDerWaalsContact N-O 3.15Å; K323-E400 IonicContact NZ-OE2 3.43Å; K323-E400 PolarHBondContact NZ-OE2 3.05Å; K323-E400 PolarHBondContact O-N 3.05Å
324	P	97.9	Very high	97.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	124.6	166	-24	26.7	0	0	0	111.4	L317 V318 I322 I327 Y369 S399	L317-P324 HydrophobicContact CB-CG 3.87Å; L317-P324 HydrophobicContact CD1-CG 3.97Å; V318-P324 HydrophobicContact CG2-CG 4.31Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-I327 HydrophobicContact CB-CD1 4.49Å; P324-Y369 WeakPolarHBondContact CD-OH 3.24Å; P324-Y369 WeakPolarHBondContact O-CE1 3.23Å; P324-Y369 PolarHBondContact O-OH 3.05Å; P324-S399 WeakPolarHBondContact CA-OG 3.2Å
325	T	97.5	Very high	97.4	Very high	35 Å²	35	31.2 Å²	31.2	22%	0.215	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-22.7	176.4	51.9	0	0	0	0	112.4	K323 P375 D376 T398 E400	K323-T325 HydrophobicContact CD-CG2 4.24Å; K323-T325 HydrophobicContact CG-CG2 4.24Å; K323-T325 PolarHBondContact O-N 2.76Å; T325-P375 CarbonylContact O-C 3.56Å; T325-P375 VanDerWaalsContact O-CA 3.27Å; T325-P375 WeakPolarHBondContact O-CA 3.33Å; T325-P375 WeakPolarHBondContact O-CB 3.46Å; T325-D376 PolarHBondContact O-N 3.45Å; T325-T398 PolarHBondContact N-O 3.01Å; T325-T398 PolarHBondContact OG1-O 3.47Å; T325-E400 HydrophobicContact CG2-CB 4.28Å; T325-E400 HydrophobicContact CG2-CG 3.7Å
326	S	98	Very high	97.4	Very high	27 Å²	27	32.2 Å²	32.2	19%	0.189	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.7	172.7	-167.5	0	0	0	0	111.8	D376 Y397 T398	S326-D376 CarbonylContact C-O 3.58Å; S326-D376 WeakPolarHBondContact CA-O 3.15Å; S326-Y397 WeakPolarHBondContact O-CA 3.28Å; S326-T398 PolarHBondContact N-O 2.66Å; S326-T398 PolarHBondContact O-N 3.41Å
327	I	98	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.2	176.1	-54.3	176.4	0	0	0	107.7	V314 P324 V358 P375 D376 H377 C378 E396 Y397	V314-I327 HydrophobicContact CG2-CD1 3.87Å; P324-I327 HydrophobicContact CB-CD1 4.49Å; I327-V358 HydrophobicContact CD1-CG1 4.05Å; I327-P375 HydrophobicContact CD1-CG 4.25Å; I327-D376 PolarHBondContact N-O 2.8Å; I327-H377 WeakPolarHBondContact O-CA 3.42Å; I327-H377 PolarHBondContact O-CD2 2.92Å; I327-C378 PolarHBondContact O-N 3.23Å; I327-E396 WeakPolarHBondContact CA-O 3.27Å; I327-Y397 HydrophobicContact CB-CD1 4.48Å; I327-Y397 HydrophobicContact CD1-CD1 4.3Å; I327-Y397 HydrophobicContact CD1-CE1 4.34Å; I327-Y397 HydrophobicContact CG1-CD1 3.94Å; I327-Y397 HydrophobicContact CG1-CE1 4.29Å; I327-Y397 HydrophobicContact CG2-CD1 4.01Å; I327-Y397 HydrophobicContact CG2-CE1 3.69Å
328	V	97.9	Very high	97.1	Very high	57 Å²	57	28.7 Å²	28.7	35%	0.345	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	178.3	-177.7	0	0	0	0	108.9	C378 D395 E396	V328-C378 HydrophobicContact CG1-CB 4.43Å; V328-D395 CarbonylContact O-C 3.57Å; V328-D395 WeakPolarHBondContact O-CA 3.25Å; V328-E396 PolarHBondContact N-O 3.43Å; V328-E396 PolarHBondContact O-N 2.79Å
329	S	97.3	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	94.3	-173.4	-70	0	0	0	0	111.9	K310 N331 C378 V379 V380 D395	K310-S329 WeakPolarHBondContact CE-OG 3.48Å; K310-S329 PolarHBondContact NZ-OG 2.7Å; S329-N331 PolarHBondContact O-ND2 3.43Å; S329-C378 PolarHBondContact N-O 3.47Å; S329-V379 WeakPolarHBondContact O-CA 3.37Å; S329-V380 PolarHBondContact O-N 3.18Å; S329-D395 VanDerWaalsContact CB-OD1 3.25Å; S329-D395 WeakPolarHBondContact CB-OD1 3.39Å; S329-D395 PolarHBondContact OG-OD1 3Å
330	Y	97.3	Very high	96.9	Very high	77 Å²	77	28 Å²	28	30%	0.302	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.5	174.3	-179.4	-101.6	0	0	0	112	Q306 H332 V380 K382 A393 M394	Q306-Y330 PolarHBondContact NE2-O 2.99Å; Y330-H332 HydrophobicContact CE1-CB 4.44Å; Y330-H332 AromaticContact CE1-ND1 3.21Å; Y330-H332 WeakPolarHBondContact CE1-ND1 3.34Å; Y330-H332 AromaticContact CZ-ND1 3.91Å; Y330-V380 CarbonylContact C-O 3.55Å; Y330-V380 HydrophobicContact CD2-CB 3.77Å; Y330-V380 HydrophobicContact CD2-CG1 3.57Å; Y330-V380 HydrophobicContact CE2-CB 4.45Å; Y330-V380 HydrophobicContact CE2-CG1 3.75Å; Y330-K382 HydrophobicContact CE2-CG 4.02Å; Y330-A393 WeakPolarHBondContact O-CA 3.5Å; Y330-M394 HydrophobicContact CD1-CB 4.38Å; Y330-M394 HydrophobicContact CD1-SD 4.2Å; Y330-M394 PolarHBondContact N-O 2.91Å; Y330-M394 PolarHBondContact O-N 3.04Å
331	N	95.9	Very high	96.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.4	175.9	-56.2	-99.2	0	0	0	111.1	Q306 S329 K354 V380 I381 K382 K391 R392	Q306-N331 PolarHBondContact NE2-ND2 3.17Å; Q306-N331 PolarHBondContact NE2-OD1 3.19Å; Q306-N331 VanDerWaalsContact NE2-OD1 3.14Å; Q306-N331 VanDerWaalsContact OE1-CG 3.27Å; Q306-N331 PolarHBondContact OE1-ND2 3.48Å; Q306-N331 PolarHBondContact OE1-OD1 3.24Å; S329-N331 PolarHBondContact O-ND2 3.43Å; N331-K354 PolarHBondContact ND2-NZ 2.71Å; N331-V380 WeakPolarHBondContact CB-O 3.41Å; N331-V380 PolarHBondContact N-O 3.21Å; N331-V380 PolarHBondContact ND2-O 3.02Å; N331-V380 VanDerWaalsContact ND2-O 3.11Å; N331-I381 HydrophobicContact CB-CG1 4.18Å; N331-I381 CarbonylContact O-C 3.55Å; N331-I381 VanDerWaalsContact O-CA 3.32Å; N331-I381 WeakPolarHBondContact O-CA 3.22Å; N331-K382 PolarHBondContact O-N 2.94Å; N331-K391 WeakPolarHBondContact OD1-CE 3.41Å; N331-K391 PolarHBondContact OD1-NZ 3.38Å; N331-R392 CarbonylContact C-O 3.55Å; N331-R392 VanDerWaalsContact CA-O 3.25Å; N331-R392 WeakPolarHBondContact CA-O 3.19Å
332	H	97.7	Very high	96.6	Very high	32 Å²	32	26.7 Å²	26.7	15%	0.148	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.5	161	59.3	-86.1	0	0	0	112.6	Y330 K382 V384 K391 R392	Y330-H332 HydrophobicContact CE1-CB 4.44Å; Y330-H332 AromaticContact CE1-ND1 3.21Å; Y330-H332 WeakPolarHBondContact CE1-ND1 3.34Å; Y330-H332 AromaticContact CZ-ND1 3.91Å; H332-K382 WeakPolarHBondContact CA-O 3.26Å; H332-K382 HydrophobicContact CB-CB 4.25Å; H332-K382 WeakPolarHBondContact CB-O 3.4Å; H332-V384 HydrophobicContact CB-CB 4.13Å; H332-V384 HydrophobicContact CB-CG2 3.65Å; H332-K391 WeakPolarHBondContact O-CA 3.29Å; H332-R392 VanDerWaalsContact CE1-CB 3.41Å; H332-R392 WeakPolarHBondContact CE1-CB 3.38Å; H332-R392 PolarHBondContact N-O 2.91Å; H332-R392 WeakPolarHBondContact NE2-CB 3.49Å; H332-R392 VanDerWaalsContact NE2-CG 3.34Å; H332-R392 WeakPolarHBondContact NE2-CG 3.15Å; H332-R392 PolarHBondContact O-N 2.9Å
333	L	97.8	Very high	96.4	Very high	3 Å²	3	26 Å²	26	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.3	-178.8	70.1	-179.3	0	0	0	111.1	N335 D337 I381 K382 H383 V384 K391	L333-N335 WeakPolarHBondContact CD1-OD1 3.38Å; L333-D337 HydrophobicContact CD1-CB 4.43Å; L333-I381 HydrophobicContact CD2-CG2 3.74Å; L333-K382 PolarHBondContact N-O 2.95Å; L333-K382 VanDerWaalsContact N-O 3.17Å; L333-H383 WeakPolarHBondContact O-CA 3.21Å; L333-H383 PolarHBondContact O-ND1 2.75Å; L333-H383 VanDerWaalsContact O-ND1 3.16Å; L333-V384 CarbonylContact C-O 3.48Å; L333-V384 PolarHBondContact O-N 2.66Å; L333-K391 HydrophobicContact CB-CB 3.88Å; L333-K391 HydrophobicContact CB-CG 4.15Å; L333-K391 HydrophobicContact CD1-CD 4.43Å
334	G	97.3	Very high	96.2	Very high	14 Å²	14	29.6 Å²	29.6	14%	0.144	17%	0.171	C	C	.	.			trans	-111.7	-4.4	-172.7	0	0	0	0	0	115.1	H383 V384 G388	G334-H383 PolarHBondContact O-CE1 3.19Å; G334-V384 WeakPolarHBondContact CA-O 3.46Å; G334-V384 PolarHBondContact N-O 3.37Å; G334-G388 CarbonylContact C-O 3.58Å; G334-G388 WeakPolarHBondContact CA-O 3.47Å; G334-G388 PolarHBondContact N-O 3.34Å
335	N	96.4	Very high	95.9	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.08	20%	0.197	C	C	.	.	S	Bend	trans	-74.2	179.9	177.1	65.9	7.5	0	0	0	112.5	L333 D337 G338 K339 G388 D389	L333-N335 WeakPolarHBondContact CD1-OD1 3.38Å; N335-D337 VanDerWaalsContact C-N 3.25Å; N335-D337 PolarHBondContact O-N 3.24Å; N335-D337 PolarHBondContact OD1-N 2.96Å; N335-G338 PolarHBondContact O-N 2.84Å; N335-G338 PolarHBondContact OD1-N 3.3Å; N335-G338 VanDerWaalsContact OD1-N 3.13Å; N335-K339 PolarHBondContact O-N 2.92Å; N335-G388 PolarHBondContact N-O 3.3Å; N335-D389 PolarHBondContact ND2-OD1 3.36Å
336	N	96.2	Very high	95.8	Very high	42 Å²	42	33.9 Å²	33.9	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-27.2	-178.2	-166.4	56.5	0	0	0	113.3	Q185 N227 K339 N340	Q185-N336 PolarHBondContact NE2-OD1 2.95Å; Q185-N336 PolarHBondContact OE1-ND2 2.85Å; Q185-N336 PolarHBondContact OE1-OD1 3.5Å; N227-N336 PolarHBondContact ND2-ND2 2.88Å; N336-K339 PolarHBondContact O-N 3.13Å; N336-N340 WeakPolarHBondContact O-CB 3.47Å; N336-N340 PolarHBondContact O-N 3.1Å
337	D	93.9	Very high	95.6	Very high	41 Å²	41	34.6 Å²	34.6	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-51	172.9	-175.3	43.4	0	0	0	110.1	L333 N335 K339 N340 L341	L333-D337 HydrophobicContact CD1-CB 4.43Å; N335-D337 VanDerWaalsContact C-N 3.25Å; N335-D337 PolarHBondContact O-N 3.24Å; N335-D337 PolarHBondContact OD1-N 2.96Å; D337-K339 VanDerWaalsContact C-N 3.28Å; D337-K339 PolarHBondContact O-N 2.88Å; D337-N340 PolarHBondContact O-N 3.39Å; D337-N340 VanDerWaalsContact O-N 3.14Å; D337-L341 WeakPolarHBondContact O-CB 3.24Å; D337-L341 VanDerWaalsContact O-CG 3.25Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.49Å; D337-L341 WeakPolarHBondContact OD2-CD1 3.27Å
338	G	94.3	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-41	174	0	0	0	0	0	113.4	N335 L341 S342 H383	N335-G338 PolarHBondContact O-N 2.84Å; N335-G338 PolarHBondContact OD1-N 3.3Å; N335-G338 VanDerWaalsContact OD1-N 3.13Å; G338-L341 PolarHBondContact O-N 2.95Å; G338-S342 PolarHBondContact O-N 3.07Å; G338-H383 WeakPolarHBondContact O-CB 3.42Å
339	K	95.4	Very high	94.9	Very high	77 Å²	77	38.4 Å²	38.4	34%	0.335	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-41.1	177.2	-172	-178.3	174.4	-167.7	0	112.2	N184 N335 N336 D337 S342 H383	N184-K339 PolarHBondContact ND2-O 2.99Å; N184-K339 PolarHBondContact O-NZ 2.63Å; N335-K339 PolarHBondContact O-N 2.92Å; N336-K339 PolarHBondContact O-N 3.13Å; D337-K339 VanDerWaalsContact C-N 3.28Å; D337-K339 PolarHBondContact O-N 2.88Å; K339-S342 PolarHBondContact O-N 3.3Å; K339-S342 PolarHBondContact O-OG 2.99Å; K339-H383 PolarHBondContact N-ND1 2.78Å
340	N	95.3	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-40.9	176.5	-177.1	79.2	0	0	0	111.7	A182 N227 T228 N336 D337 S342 A343	A182-N340 WeakPolarHBondContact CB-O 3.28Å; A182-N340 WeakPolarHBondContact CB-OD1 3.31Å; A182-N340 PolarHBondContact N-OD1 3.45Å; N227-N340 WeakPolarHBondContact ND2-CB 3.33Å; N227-N340 PolarHBondContact ND2-OD1 3.5Å; T228-N340 PolarHBondContact N-ND2 3.05Å; T228-N340 PolarHBondContact O-ND2 3.18Å; N336-N340 WeakPolarHBondContact O-CB 3.47Å; N336-N340 PolarHBondContact O-N 3.1Å; D337-N340 PolarHBondContact O-N 3.39Å; D337-N340 VanDerWaalsContact O-N 3.14Å; N340-S342 PolarHBondContact O-N 2.7Å; N340-S342 VanDerWaalsContact O-N 3.17Å; N340-A343 PolarHBondContact O-N 3.33Å
341	L	94.6	Very high	94.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.7	178.9	-64.2	174.1	0	0	0	113.9	T228 D337 G338 A343 Q346 K350 I381	T228-L341 HydrophobicContact CG2-CD2 4Å; D337-L341 WeakPolarHBondContact O-CB 3.24Å; D337-L341 VanDerWaalsContact O-CG 3.25Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.49Å; D337-L341 WeakPolarHBondContact OD2-CD1 3.27Å; G338-L341 PolarHBondContact O-N 2.95Å; L341-A343 PolarHBondContact O-N 3.27Å; L341-Q346 HydrophobicContact CD2-CB 4.47Å; L341-K350 HydrophobicContact CD1-CG 4.48Å; L341-K350 HydrophobicContact CD2-CB 4.12Å; L341-I381 HydrophobicContact CD1-CD1 4.37Å; L341-I381 HydrophobicContact CD1-CG2 4.44Å
342	S	92.9	Very high	93.6	Very high	67 Å²	67	40.1 Å²	40.1	47%	0.469	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.6	171	76.4	0	0	0	0	112.5	N184 G338 K339 N340	N184-S342 PolarHBondContact ND2-OG 3.46Å; G338-S342 PolarHBondContact O-N 3.07Å; K339-S342 PolarHBondContact O-N 3.3Å; K339-S342 PolarHBondContact O-OG 2.99Å; N340-S342 PolarHBondContact O-N 2.7Å; N340-S342 VanDerWaalsContact O-N 3.17Å
343	A	94.3	Very high	92.9	Very high	20 Å²	20	38.8 Å²	38.8	17%	0.165	20%	0.202	C	C	.	.	S	Bend	trans	-83.6	133.1	176.6	0	0	0	0	0	110.8	A182 N340 L341 Q345 Q346 F347	A182-A343 HydrophobicContact CB-CB 3.77Å; N340-A343 PolarHBondContact O-N 3.33Å; L341-A343 PolarHBondContact O-N 3.27Å; A343-Q345 PolarHBondContact O-N 2.87Å; A343-Q346 PolarHBondContact O-N 3.27Å; A343-F347 WeakPolarHBondContact O-CB 3.32Å; A343-F347 PolarHBondContact O-N 3.29Å
344	P	93.9	Very high	92.3	Very high	107 Å²	107	39.1 Å²	39.1	70%	0.695	20%	0.203	S	C	*	.	H	α-helix	trans	-58.4	-39.1	-172.3	-28.5	35.4	0	0	0	115.3	F347 R348	P344-F347 PolarHBondContact O-N 3.13Å; P344-R348 WeakPolarHBondContact O-CB 3.16Å; P344-R348 PolarHBondContact O-N 3.2Å
345	Q	93.2	Very high	91.7	Very high	120 Å²	120	39.8 Å²	39.8	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-68.5	-39.8	-177.4	-70	-179.3	-28	0	0	112.1	R230 A343 R348	R230-Q345 HydrophobicContact CB-CB 3.9Å; A343-Q345 PolarHBondContact O-N 2.87Å; Q345-R348 PolarHBondContact O-N 3.41Å
346	Q	94.6	Very high	91.1	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.023	22%	0.222	C	C	.	.	H	α-helix	trans	-72.9	-36.3	175.7	-69.2	70.5	25.6	0	0	111.3	F180 I181 T228 L341 A343 R348 S349	F180-Q346 PolarHBondContact O-NE2 2.92Å; I181-Q346 PolarHBondContact O-NE2 3.03Å; T228-Q346 HydrophobicContact CG2-CB 4.42Å; T228-Q346 WeakPolarHBondContact CG2-O 3.26Å; T228-Q346 VanDerWaalsContact O-CG 3.22Å; T228-Q346 WeakPolarHBondContact O-CG 3.35Å; L341-Q346 HydrophobicContact CD2-CB 4.47Å; A343-Q346 PolarHBondContact O-N 3.27Å; Q346-R348 VanDerWaalsContact C-N 3.33Å; Q346-R348 PolarHBondContact O-N 3.38Å; Q346-S349 PolarHBondContact O-N 3.5Å
347	F	93.1	Very high	90.7	Very high	42 Å²	42	40.9 Å²	40.9	18%	0.184	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-43.1	171.7	173.9	-106.1	0	0	0	111.7	A343 P344 S349 K350 E351 I381	A343-F347 WeakPolarHBondContact O-CB 3.32Å; A343-F347 PolarHBondContact O-N 3.29Å; P344-F347 PolarHBondContact O-N 3.13Å; F347-S349 VanDerWaalsContact C-N 3.28Å; F347-S349 PolarHBondContact O-N 3.12Å; F347-K350 CarbonylContact O-C 3.6Å; F347-K350 PolarHBondContact O-N 2.75Å; F347-E351 HydrophobicContact CE1-CB 4.09Å; F347-E351 HydrophobicContact CE1-CG 4.32Å; F347-E351 HydrophobicContact CZ-CB 4.19Å; F347-E351 HydrophobicContact CZ-CG 4.41Å; F347-E351 PolarHBondContact O-N 3.05Å; F347-I381 HydrophobicContact CD2-CB 3.99Å; F347-I381 HydrophobicContact CD2-CD1 4.12Å; F347-I381 HydrophobicContact CD2-CG1 4.31Å; F347-I381 HydrophobicContact CE2-CB 3.73Å; F347-I381 HydrophobicContact CE2-CD1 3.92Å; F347-I381 HydrophobicContact CE2-CG1 3.79Å
348	R	92.5	Very high	90.6	Very high	137 Å²	137	39.1 Å²	39.1	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-56.3	-40.7	-179.4	-178.2	57.7	177.8	169.2	2.8	112.5	P344 Q345 Q346 K350 E351 I352	P344-R348 WeakPolarHBondContact O-CB 3.16Å; P344-R348 PolarHBondContact O-N 3.2Å; Q345-R348 PolarHBondContact O-N 3.41Å; Q346-R348 VanDerWaalsContact C-N 3.33Å; Q346-R348 PolarHBondContact O-N 3.38Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3.37Å; R348-E351 VanDerWaalsContact CD-OE2 3.26Å; R348-E351 WeakPolarHBondContact CD-OE2 3.48Å; R348-E351 IonicContact CZ-OE2 3.91Å; R348-E351 IonicContact NE-OE2 2.7Å; R348-E351 IonicContact NH1-OE2 3.18Å; R348-E351 PolarHBondContact NH1-OE2 3.38Å; R348-E351 WeakPolarHBondContact O-CB 3.47Å; R348-E351 PolarHBondContact O-N 2.72Å; R348-I352 HydrophobicContact CG-CD1 4.18Å; R348-I352 WeakPolarHBondContact O-CG1 3.35Å; R348-I352 PolarHBondContact O-N 3.08Å; R348-I352 VanDerWaalsContact O-N 3.09Å
349	S	89.1	Confident	90.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-55.3	-48.3	174	-50.4	0	0	0	0	111.5	E229 F231 Q346 F347 S353	E229-S349 PolarHBondContact O-OG 3.09Å; F231-S349 WeakPolarHBondContact CD2-OG 3.37Å; Q346-S349 PolarHBondContact O-N 3.5Å; F347-S349 VanDerWaalsContact C-N 3.28Å; F347-S349 PolarHBondContact O-N 3.12Å; S349-S353 PolarHBondContact O-N 3.45Å
350	K	88.6	Confident	90.3	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.057	20%	0.202	C	C	.	.	H	α-helix	trans	-73	-29.9	-179.2	-164.4	73.8	89.2	-168.3	0	112.9	P278 D301 L341 F347 R348 S353 K354 I381	P278-K350 HydrophobicContact CB-CD 4.42Å; P278-K350 HydrophobicContact CG-CB 4.24Å; P278-K350 HydrophobicContact CG-CD 4.03Å; D301-K350 IonicContact OD1-NZ 3.53Å; D301-K350 PolarHBondContact OD1-NZ 2.92Å; D301-K350 WeakPolarHBondContact OD2-CD 3.41Å; D301-K350 IonicContact OD2-NZ 3.86Å; L341-K350 HydrophobicContact CD1-CG 4.48Å; L341-K350 HydrophobicContact CD2-CB 4.12Å; F347-K350 CarbonylContact O-C 3.6Å; F347-K350 PolarHBondContact O-N 2.75Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3.37Å; K350-S353 PolarHBondContact O-OG 3.49Å; K350-K354 HydrophobicContact CG-CD 4.26Å; K350-K354 WeakPolarHBondContact O-CB 3.33Å; K350-K354 VanDerWaalsContact O-CG 3.29Å; K350-K354 WeakPolarHBondContact O-CG 3.25Å; K350-K354 PolarHBondContact O-N 3Å; K350-I381 HydrophobicContact CB-CD1 4.19Å; K350-I381 HydrophobicContact CG-CD1 3.58Å
351	E	89	Confident	90.2	Very high	52 Å²	52	38.8 Å²	38.8	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-49.7	174.8	-175.5	-178.5	-137.1	0	0	110.4	F347 R348 S353 K354 S355	F347-E351 HydrophobicContact CE1-CB 4.09Å; F347-E351 HydrophobicContact CE1-CG 4.32Å; F347-E351 HydrophobicContact CZ-CB 4.19Å; F347-E351 HydrophobicContact CZ-CG 4.41Å; F347-E351 PolarHBondContact O-N 3.05Å; R348-E351 VanDerWaalsContact CD-OE2 3.26Å; R348-E351 WeakPolarHBondContact CD-OE2 3.48Å; R348-E351 IonicContact CZ-OE2 3.91Å; R348-E351 IonicContact NE-OE2 2.7Å; R348-E351 IonicContact NH1-OE2 3.18Å; R348-E351 PolarHBondContact NH1-OE2 3.38Å; R348-E351 WeakPolarHBondContact O-CB 3.47Å; R348-E351 PolarHBondContact O-N 2.72Å; E351-S353 PolarHBondContact O-N 3.41Å; E351-K354 PolarHBondContact O-N 3.3Å; E351-S355 PolarHBondContact O-N 3.43Å; E351-S355 PolarHBondContact O-OG 3.2Å; E351-S355 VanDerWaalsContact O-OG 3.07Å
352	I	86.8	Confident	90.1	Very high	49 Å²	49	38.8 Å²	38.8	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-58.3	-49.5	179.6	-65.5	165.6	0	0	0	111.1	F231 R348 K354 S355 N356	F231-I352 HydrophobicContact CE1-CD1 4.31Å; F231-I352 HydrophobicContact CZ-CD1 4.28Å; R348-I352 HydrophobicContact CG-CD1 4.18Å; R348-I352 WeakPolarHBondContact O-CG1 3.35Å; R348-I352 PolarHBondContact O-N 3.08Å; R348-I352 VanDerWaalsContact O-N 3.09Å; I352-K354 VanDerWaalsContact C-N 3.26Å; I352-K354 PolarHBondContact O-N 2.98Å; I352-S355 PolarHBondContact O-N 2.93Å; I352-N356 PolarHBondContact O-N 3.38Å
353	S	81	Confident	90.2	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-28.1	-178.1	72.9	0	0	0	0	113.5	D301 S349 K350 E351	D301-S353 PolarHBondContact OD2-OG 3.32Å; S349-S353 PolarHBondContact O-N 3.45Å; K350-S353 PolarHBondContact O-OG 3.49Å; E351-S353 PolarHBondContact O-N 3.41Å
354	K	85.2	Confident	90.1	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-85.4	-23.9	179.9	-77.2	-175.9	171.7	-168.9	0	113.9	N331 K350 E351 I352 H377 V379 I381 K463	N331-K354 PolarHBondContact ND2-NZ 2.71Å; K350-K354 HydrophobicContact CG-CD 4.26Å; K350-K354 WeakPolarHBondContact O-CB 3.33Å; K350-K354 VanDerWaalsContact O-CG 3.29Å; K350-K354 WeakPolarHBondContact O-CG 3.25Å; K350-K354 PolarHBondContact O-N 3Å; E351-K354 PolarHBondContact O-N 3.3Å; I352-K354 VanDerWaalsContact C-N 3.26Å; I352-K354 PolarHBondContact O-N 2.98Å; K354-H377 PolarHBondContact O-CE1 2.51Å; K354-V379 HydrophobicContact CB-CG1 3.98Å; K354-V379 HydrophobicContact CB-CG2 4Å; K354-V379 HydrophobicContact CD-CG1 3.57Å; K354-V379 HydrophobicContact CG-CG1 4.45Å; K354-I381 HydrophobicContact CD-CD1 4.4Å; K354-K463 HydrophobicContact CG-CD 4.23Å
355	S	84.7	Confident	90.2	Very high	28 Å²	28	41.1 Å²	41.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-82.2	-39.9	-177.8	-63.4	0	0	0	0	112.4	E351 I352 V357 H377	E351-S355 PolarHBondContact O-N 3.43Å; E351-S355 PolarHBondContact O-OG 3.2Å; E351-S355 VanDerWaalsContact O-OG 3.07Å; I352-S355 PolarHBondContact O-N 2.93Å; S355-V357 PolarHBondContact O-N 3.35Å; S355-V357 VanDerWaalsContact O-N 3.13Å; S355-H377 VanDerWaalsContact CA-CE1 3.5Å; S355-H377 WeakPolarHBondContact CA-CE1 3.42Å; S355-H377 WeakPolarHBondContact CA-ND1 3.21Å; S355-H377 PolarHBondContact O-CE1 2.85Å; S355-H377 PolarHBondContact O-ND1 3.02Å
356	N	84.7	Confident	90.3	Very high	78 Å²	78	40.5 Å²	40.5	42%	0.417	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-73.1	-9.6	-172.1	-63.1	-7.5	0	0	0	115	I352 V358 D359 N475	I352-N356 PolarHBondContact O-N 3.38Å; N356-V358 PolarHBondContact O-N 3.08Å; N356-V358 VanDerWaalsContact O-N 3.08Å; N356-D359 PolarHBondContact O-N 3.26Å; N356-N475 PolarHBondContact O-ND2 2.6Å
357	V	88.3	Confident	90.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.9	-10.8	-173.2	73.8	0	0	0	0	114.4	T307 K310 S355 N475	T307-V357 HydrophobicContact CG2-CB 4.18Å; T307-V357 HydrophobicContact CG2-CG1 4.16Å; T307-V357 HydrophobicContact CG2-CG2 3.83Å; K310-V357 HydrophobicContact CD-CG1 3.47Å; K310-V357 VanDerWaalsContact CD-CG1 3.47Å; K310-V357 HydrophobicContact CG-CG1 4.06Å; S355-V357 PolarHBondContact O-N 3.35Å; S355-V357 VanDerWaalsContact O-N 3.13Å; V357-N475 HydrophobicContact CG2-CB 3.85Å; V357-N475 VanDerWaalsContact O-CB 3.24Å; V357-N475 WeakPolarHBondContact O-CB 3.34Å
358	V	91.3	Very high	90.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-105.3	-11.7	-177.9	-54.8	0	0	0	0	113.1	K310 V314 I327 N356 D360 M361 V362	K310-V358 HydrophobicContact CD-CG1 4.09Å; K310-V358 HydrophobicContact CG-CG1 4.2Å; V314-V358 HydrophobicContact CB-CG1 4.44Å; V314-V358 HydrophobicContact CG1-CB 4.22Å; V314-V358 HydrophobicContact CG1-CG1 4.33Å; V314-V358 HydrophobicContact CG2-CG1 3.81Å; I327-V358 HydrophobicContact CD1-CG1 4.05Å; N356-V358 PolarHBondContact O-N 3.08Å; N356-V358 VanDerWaalsContact O-N 3.08Å; V358-D360 PolarHBondContact O-N 3.5Å; V358-M361 PolarHBondContact O-N 3.33Å; V358-V362 WeakPolarHBondContact O-CG2 3.2Å; V358-V362 PolarHBondContact O-N 3.09Å; V358-V362 VanDerWaalsContact O-N 3.12Å
359	D	91	Very high	90.9	Very high	36 Å²	36	40 Å²	40	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-43.4	-167.2	-81.1	-15.3	0	0	0	112.9	N356 M361 V362 Q363 K374	N356-D359 PolarHBondContact O-N 3.26Å; D359-M361 PolarHBondContact O-N 2.85Å; D359-V362 PolarHBondContact O-N 2.84Å; D359-Q363 WeakPolarHBondContact O-CB 3.15Å; D359-Q363 VanDerWaalsContact O-CG 3.22Å; D359-Q363 WeakPolarHBondContact O-CG 3.5Å; D359-Q363 PolarHBondContact O-N 3Å; D359-K374 IonicContact OD1-NZ 2.72Å; D359-K374 PolarHBondContact OD1-NZ 3.45Å; D359-K374 IonicContact OD2-NZ 3.7Å; D359-K374 PolarHBondContact OD2-NZ 3.36Å; D359-K374 VanDerWaalsContact OD2-NZ 3.11Å
360	D	91.9	Very high	91.2	Very high	23 Å²	23	47 Å²	47	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-37.3	-179.2	59.9	-53.6	0	0	0	112.3	V358 S364 N475	V358-D360 PolarHBondContact O-N 3.5Å; D360-S364 WeakPolarHBondContact O-CB 3.47Å; D360-S364 PolarHBondContact O-N 3.44Å; D360-N475 VanDerWaalsContact OD1-CB 3.28Å; D360-N475 WeakPolarHBondContact OD1-CB 3.08Å; D360-N475 PolarHBondContact OD1-ND2 3.19Å; D360-N475 PolarHBondContact OD2-N 3.09Å
361	M	93.6	Very high	91.4	Very high	10 Å²	10	53 Å²	53	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-42.4	176.6	-74.5	-55.2	-51	0	0	112	V314 D315 V318 V358 D359 S364 A476	V314-M361 HydrophobicContact CG1-CB 3.84Å; V314-M361 HydrophobicContact CG1-CG 4.35Å; D315-M361 HydrophobicContact CB-CE 4.48Å; D315-M361 HydrophobicContact CB-SD 4.38Å; D315-M361 WeakPolarHBondContact OD1-CE 3.42Å; V318-M361 HydrophobicContact CB-CE 3.91Å; V318-M361 HydrophobicContact CG1-CE 3.9Å; V358-M361 PolarHBondContact O-N 3.33Å; D359-M361 PolarHBondContact O-N 2.85Å; M361-S364 PolarHBondContact O-N 3.43Å; M361-S364 PolarHBondContact O-OG 3.39Å; M361-A476 HydrophobicContact CG-CB 4.45Å; M361-A476 HydrophobicContact SD-CB 3.86Å
362	V	93.4	Very high	91.5	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.3	170.9	0	0	0	0	110.4	V358 D359 S364 N365 Y369 E373 P375	V358-V362 WeakPolarHBondContact O-CG2 3.2Å; V358-V362 PolarHBondContact O-N 3.09Å; V358-V362 VanDerWaalsContact O-N 3.12Å; D359-V362 PolarHBondContact O-N 2.84Å; V362-S364 VanDerWaalsContact C-N 3.25Å; V362-S364 PolarHBondContact O-N 3Å; V362-N365 PolarHBondContact O-N 3.31Å; V362-Y369 HydrophobicContact CB-CD2 4.39Å; V362-Y369 HydrophobicContact CB-CE2 4.39Å; V362-Y369 HydrophobicContact CG1-CD1 3.92Å; V362-Y369 HydrophobicContact CG1-CD2 3.89Å; V362-Y369 HydrophobicContact CG1-CE1 4.25Å; V362-Y369 HydrophobicContact CG1-CE2 4.22Å; V362-Y369 HydrophobicContact CG1-CG 3.73Å; V362-Y369 HydrophobicContact CG2-CE2 4.24Å; V362-Y369 WeakPolarHBondContact O-CD2 3.28Å; V362-E373 WeakPolarHBondContact CG1-O 3.46Å; V362-P375 HydrophobicContact CG2-CG 4.28Å
363	Q	93.3	Very high	91.9	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.673	33%	0.326	S	S	*	.	H	α-helix	trans	-65.4	-26.5	178.6	-71	171.4	7.9	0	0	113.4	D359 N365	D359-Q363 WeakPolarHBondContact O-CB 3.15Å; D359-Q363 VanDerWaalsContact O-CG 3.22Å; D359-Q363 WeakPolarHBondContact O-CG 3.5Å; D359-Q363 PolarHBondContact O-N 3Å; Q363-N365 PolarHBondContact O-N 2.67Å
364	S	93.2	Very high	92.5	Very high	67 Å²	67	60 Å²	60	47%	0.469	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.8	-178.2	76.4	0	0	0	0	114.5	D360 M361 V362 P366	D360-S364 WeakPolarHBondContact O-CB 3.47Å; D360-S364 PolarHBondContact O-N 3.44Å; M361-S364 PolarHBondContact O-N 3.43Å; M361-S364 PolarHBondContact O-OG 3.39Å; V362-S364 VanDerWaalsContact C-N 3.25Å; V362-S364 PolarHBondContact O-N 3Å; S364-P366 WeakPolarHBondContact O-CD 3.31Å
365	N	96.2	Very high	93	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	35%	0.35	C	S	.	.			trans	-126.7	82.4	-172	-163.4	-28.4	0	0	0	112.7	V318 V362 Q363 V367 L368 Y369	V318-N365 HydrophobicContact CG1-CB 3.65Å; V318-N365 PolarHBondContact O-ND2 3.2Å; V362-N365 PolarHBondContact O-N 3.31Å; Q363-N365 PolarHBondContact O-N 2.67Å; N365-V367 PolarHBondContact O-N 3.23Å; N365-V367 VanDerWaalsContact O-N 3.15Å; N365-V367 WeakPolarHBondContact OD1-CB 3.41Å; N365-V367 PolarHBondContact OD1-N 3.21Å; N365-L368 WeakPolarHBondContact ND2-CD1 3.43Å; N365-L368 PolarHBondContact O-N 3.31Å; N365-L368 PolarHBondContact OD1-N 3.23Å; N365-Y369 PolarHBondContact O-N 3.27Å; N365-Y369 VanDerWaalsContact O-N 3.11Å
366	P	95.4	Very high	93.6	Very high	106 Å²	106	64.7 Å²	64.7	69%	0.688	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.6	178.8	30.4	-36.8	0	0	0	113.9	S364 Y369	S364-P366 WeakPolarHBondContact O-CD 3.31Å; P366-Y369 CarbonylContact C-O 3.59Å; P366-Y369 WeakPolarHBondContact CA-O 3.09Å
367	V	97.4	Very high	94.1	Very high	133 Å²	133	63.4 Å²	63.4	81%	0.806	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-38	173.2	-178.8	0	0	0	0	110.4	N365	N365-V367 PolarHBondContact O-N 3.23Å; N365-V367 VanDerWaalsContact O-N 3.15Å; N365-V367 WeakPolarHBondContact OD1-CB 3.41Å; N365-V367 PolarHBondContact OD1-N 3.21Å
368	L	97.4	Very high	94.4	Very high	33 Å²	33	66.1 Å²	66.1	17%	0.173	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-33.9	179.4	-61.9	-177.6	0	0	0	112.6	V318 I322 K323 N365	V318-L368 HydrophobicContact CG1-CD1 4.39Å; I322-L368 WeakPolarHBondContact O-CD1 3.3Å; K323-L368 HydrophobicContact CB-CB 4.26Å; K323-L368 HydrophobicContact CB-CD1 4.39Å; K323-L368 HydrophobicContact CB-CD2 4.23Å; K323-L368 WeakPolarHBondContact CD-O 3.26Å; K323-L368 WeakPolarHBondContact CE-O 3.45Å; K323-L368 HydrophobicContact CG-CB 4.16Å; N365-L368 WeakPolarHBondContact ND2-CD1 3.43Å; N365-L368 PolarHBondContact O-N 3.31Å; N365-L368 PolarHBondContact OD1-N 3.23Å
369	Y	97.4	Very high	94.6	Very high	8 Å²	8	66.2 Å²	66.2	3%	0.031	38%	0.382	C	S	.	.	S	Bend	trans	-123.8	132.5	-173.6	-60.5	-79.6	0	0	0	111.8	V318 K323 P324 V362 N365 P366 E373	V318-Y369 HydrophobicContact CG2-CE2 4.28Å; K323-Y369 HydrophobicContact CG-CD1 4.42Å; K323-Y369 HydrophobicContact CG-CE1 3.81Å; K323-Y369 HydrophobicContact CG-CE2 4.47Å; P324-Y369 WeakPolarHBondContact CD-OH 3.24Å; P324-Y369 WeakPolarHBondContact O-CE1 3.23Å; P324-Y369 PolarHBondContact O-OH 3.05Å; V362-Y369 HydrophobicContact CB-CD2 4.39Å; V362-Y369 HydrophobicContact CB-CE2 4.39Å; V362-Y369 HydrophobicContact CG1-CD1 3.92Å; V362-Y369 HydrophobicContact CG1-CD2 3.89Å; V362-Y369 HydrophobicContact CG1-CE1 4.25Å; V362-Y369 HydrophobicContact CG1-CE2 4.22Å; V362-Y369 HydrophobicContact CG1-CG 3.73Å; V362-Y369 HydrophobicContact CG2-CE2 4.24Å; V362-Y369 WeakPolarHBondContact O-CD2 3.28Å; N365-Y369 PolarHBondContact O-N 3.27Å; N365-Y369 VanDerWaalsContact O-N 3.11Å; P366-Y369 CarbonylContact C-O 3.59Å; P366-Y369 WeakPolarHBondContact CA-O 3.09Å; Y369-E373 WeakPolarHBondContact CA-OE2 3.14Å; Y369-E373 HydrophobicContact CD1-CG 4.2Å
370	Q	96	Very high	94.8	Very high	148 Å²	148	66.4 Å²	66.4	69%	0.692	38%	0.384	S	S	*	.			trans	-70.4	159.2	169.7	-62	-175.6	7.5	0	0	111.2	G372 E373	Q370-G372 PolarHBondContact O-N 3.09Å; Q370-G372 VanDerWaalsContact O-N 3.08Å; Q370-E373 HydrophobicContact CB-CB 4.16Å; Q370-E373 PolarHBondContact N-OE2 3.06Å; Q370-E373 VanDerWaalsContact O-CB 3.25Å; Q370-E373 WeakPolarHBondContact O-CB 3.44Å; Q370-E373 PolarHBondContact O-N 2.89Å
371	P	92.4	Very high	95	Very high	139 Å²	139	66.1 Å²	66.1	90%	0.903	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	118.8	174.4	-26.6	35.5	0	0	0	112	E373	P371-E373 VanDerWaalsContact C-N 3.31Å
372	G	90.3	Very high	95.2	Very high	79 Å²	79	71.3 Å²	71.3	81%	0.814	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-5.5	-178.6	0	0	0	0	0	115.3	Q370	Q370-G372 PolarHBondContact O-N 3.09Å; Q370-G372 VanDerWaalsContact O-N 3.08Å
373	E	95	Very high	95.4	Very high	62 Å²	62	73.9 Å²	73.9	29%	0.29	42%	0.416	S	S	.	.			trans	-69.2	135.5	172.8	-170.5	-179.3	177	0	0	110.3	K323 V362 Y369 Q370 P371	K323-E373 WeakPolarHBondContact CE-OE1 3.2Å; K323-E373 IonicContact NZ-OE1 3.71Å; K323-E373 PolarHBondContact NZ-OE1 3.24Å; V362-E373 WeakPolarHBondContact CG1-O 3.46Å; Y369-E373 WeakPolarHBondContact CA-OE2 3.14Å; Y369-E373 HydrophobicContact CD1-CG 4.2Å; Q370-E373 HydrophobicContact CB-CB 4.16Å; Q370-E373 PolarHBondContact N-OE2 3.06Å; Q370-E373 VanDerWaalsContact O-CB 3.25Å; Q370-E373 WeakPolarHBondContact O-CB 3.44Å; Q370-E373 PolarHBondContact O-N 2.89Å; P371-E373 VanDerWaalsContact C-N 3.31Å
374	K	94.5	Very high	95.6	Very high	111 Å²	111	69.4 Å²	69.4	48%	0.483	40%	0.398	S	S	.	.			trans	-137.9	150.2	176	-66.2	-167.6	176.6	-158.7	0	109.6	D359	D359-K374 IonicContact OD1-NZ 2.72Å; D359-K374 PolarHBondContact OD1-NZ 3.45Å; D359-K374 IonicContact OD2-NZ 3.7Å; D359-K374 PolarHBondContact OD2-NZ 3.36Å; D359-K374 VanDerWaalsContact OD2-NZ 3.11Å
375	P	95.8	Very high	95.8	Very high	14 Å²	14	70.5 Å²	70.5	9%	0.091	40%	0.404	C	S	.	.			trans	-63.8	152.6	168.1	28.3	-34	0	0	0	110.5	T325 I327 V362 H377	T325-P375 CarbonylContact O-C 3.56Å; T325-P375 VanDerWaalsContact O-CA 3.27Å; T325-P375 WeakPolarHBondContact O-CA 3.33Å; T325-P375 WeakPolarHBondContact O-CB 3.46Å; I327-P375 HydrophobicContact CD1-CG 4.25Å; V362-P375 HydrophobicContact CG2-CG 4.28Å; P375-H377 PolarHBondContact O-N 3.04Å
376	D	96.5	Very high	95.9	Very high	121 Å²	121	79.6 Å²	79.6	65%	0.647	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	126.7	163.1	-75.4	-22	0	0	0	108.7	T325 S326 I327	T325-D376 PolarHBondContact O-N 3.45Å; S326-D376 CarbonylContact C-O 3.58Å; S326-D376 WeakPolarHBondContact CA-O 3.15Å; I327-D376 PolarHBondContact N-O 2.8Å
377	H	95.2	Very high	96	Very high	52 Å²	52	75.8 Å²	75.8	24%	0.241	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115.3	-178.3	-166	-166.3	0	0	0	111.6	K310 I327 K354 S355 P375	K310-H377 PolarHBondContact NZ-NE2 3.45Å; K310-H377 VanDerWaalsContact NZ-NE2 3.13Å; I327-H377 WeakPolarHBondContact O-CA 3.42Å; I327-H377 PolarHBondContact O-CD2 2.92Å; K354-H377 PolarHBondContact O-CE1 2.51Å; S355-H377 VanDerWaalsContact CA-CE1 3.5Å; S355-H377 WeakPolarHBondContact CA-CE1 3.42Å; S355-H377 WeakPolarHBondContact CA-ND1 3.21Å; S355-H377 PolarHBondContact O-CE1 2.85Å; S355-H377 PolarHBondContact O-ND1 3.02Å; P375-H377 PolarHBondContact O-N 3.04Å
378	C	95.8	Very high	96	Very high	59 Å²	59	70.2 Å²	70.2	40%	0.399	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	178.9	-176.2	0	0	0	0	110.8	I327 V328 S329	I327-C378 PolarHBondContact O-N 3.23Å; V328-C378 HydrophobicContact CG1-CB 4.43Å; S329-C378 PolarHBondContact N-O 3.47Å
379	V	94.9	Very high	96	Very high	6 Å²	6	69 Å²	69	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126	176.2	178.9	0	0	0	0	109	S329 K354	S329-V379 WeakPolarHBondContact O-CA 3.37Å; K354-V379 HydrophobicContact CB-CG1 3.98Å; K354-V379 HydrophobicContact CB-CG2 4Å; K354-V379 HydrophobicContact CD-CG1 3.57Å; K354-V379 HydrophobicContact CG-CG1 4.45Å
380	V	95.6	Very high	96	Very high	41 Å²	41	69.3 Å²	69.3	25%	0.248	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	178	-178.1	0	0	0	0	109.6	S329 Y330 N331 K382	S329-V380 PolarHBondContact O-N 3.18Å; Y330-V380 CarbonylContact C-O 3.55Å; Y330-V380 HydrophobicContact CD2-CB 3.77Å; Y330-V380 HydrophobicContact CD2-CG1 3.57Å; Y330-V380 HydrophobicContact CE2-CB 4.45Å; Y330-V380 HydrophobicContact CE2-CG1 3.75Å; N331-V380 WeakPolarHBondContact CB-O 3.41Å; N331-V380 PolarHBondContact N-O 3.21Å; N331-V380 PolarHBondContact ND2-O 3.02Å; N331-V380 VanDerWaalsContact ND2-O 3.11Å; V380-K382 HydrophobicContact CG1-CG 4.24Å
381	I	95.1	Very high	96.1	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.082	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.4	171.1	-56.6	171.3	0	0	0	108.2	N331 L333 L341 F347 K350 K354	N331-I381 HydrophobicContact CB-CG1 4.18Å; N331-I381 CarbonylContact O-C 3.55Å; N331-I381 VanDerWaalsContact O-CA 3.32Å; N331-I381 WeakPolarHBondContact O-CA 3.22Å; L333-I381 HydrophobicContact CD2-CG2 3.74Å; L341-I381 HydrophobicContact CD1-CD1 4.37Å; L341-I381 HydrophobicContact CD1-CG2 4.44Å; F347-I381 HydrophobicContact CD2-CB 3.99Å; F347-I381 HydrophobicContact CD2-CD1 4.12Å; F347-I381 HydrophobicContact CD2-CG1 4.31Å; F347-I381 HydrophobicContact CE2-CB 3.73Å; F347-I381 HydrophobicContact CE2-CD1 3.92Å; F347-I381 HydrophobicContact CE2-CG1 3.79Å; K350-I381 HydrophobicContact CB-CD1 4.19Å; K350-I381 HydrophobicContact CG-CD1 3.58Å; K354-I381 HydrophobicContact CD-CD1 4.4Å
382	K	97.5	Very high	96.4	Very high	119 Å²	119	59.8 Å²	59.8	52%	0.517	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.6	175.3	-67.2	-63.6	-178.8	-174.1	0	111.4	Y330 N331 H332 L333 V380 V384	Y330-K382 HydrophobicContact CE2-CG 4.02Å; N331-K382 PolarHBondContact O-N 2.94Å; H332-K382 WeakPolarHBondContact CA-O 3.26Å; H332-K382 HydrophobicContact CB-CB 4.25Å; H332-K382 WeakPolarHBondContact CB-O 3.4Å; L333-K382 PolarHBondContact N-O 2.95Å; L333-K382 VanDerWaalsContact N-O 3.17Å; V380-K382 HydrophobicContact CG1-CG 4.24Å; K382-V384 HydrophobicContact CB-CG2 4.47Å
383	H	97.5	Very high	96.7	Very high	60 Å²	60	56 Å²	56	28%	0.278	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.7	170.4	-175.7	43.3	0	0	0	109.8	L333 G334 G338 K339	L333-H383 WeakPolarHBondContact O-CA 3.21Å; L333-H383 PolarHBondContact O-ND1 2.75Å; L333-H383 VanDerWaalsContact O-ND1 3.16Å; G334-H383 PolarHBondContact O-CE1 3.19Å; G338-H383 WeakPolarHBondContact O-CB 3.42Å; K339-H383 PolarHBondContact N-ND1 2.78Å
384	V	98.3	Very high	96.8	Very high	50 Å²	50	57.3 Å²	57.3	30%	0.303	29%	0.288	S	S	.	.			trans	-128.9	94.9	177.5	178.9	0	0	0	0	107.4	H332 L333 G334 K382 Y386 V387	H332-V384 HydrophobicContact CB-CB 4.13Å; H332-V384 HydrophobicContact CB-CG2 3.65Å; L333-V384 CarbonylContact C-O 3.48Å; L333-V384 PolarHBondContact O-N 2.66Å; G334-V384 WeakPolarHBondContact CA-O 3.46Å; G334-V384 PolarHBondContact N-O 3.37Å; K382-V384 HydrophobicContact CB-CG2 4.47Å; V384-Y386 PolarHBondContact O-N 2.94Å; V384-V387 WeakPolarHBondContact O-CG2 3.38Å; V384-V387 PolarHBondContact O-N 3.37Å
385	P	97.1	Very high	97	Very high	91 Å²	91	52.3 Å²	52.3	59%	0.591	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.4	-36.1	-170	-30.3	34.7	0	0	0	114.8	V387 G388	P385-V387 VanDerWaalsContact C-N 3.25Å; P385-V387 PolarHBondContact O-N 3.24Å; P385-V387 VanDerWaalsContact O-N 3.15Å; P385-G388 PolarHBondContact O-N 2.91Å; P385-G388 VanDerWaalsContact O-N 3.11Å
386	Y	98	Very high	97.1	Very high	224 Å²	224	56 Å²	56	88%	0.878	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.8	-33.2	-173.6	-172.1	-97.6	0	0	0	114.5	V384 G388	V384-Y386 PolarHBondContact O-N 2.94Å; Y386-G388 VanDerWaalsContact C-N 3.34Å
387	V	97.6	Very high	97.2	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.152	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-84.7	-7.2	-176.2	-57.2	0	0	0	0	113.5	V384 P385 D389 S390	V384-V387 WeakPolarHBondContact O-CG2 3.38Å; V384-V387 PolarHBondContact O-N 3.37Å; P385-V387 VanDerWaalsContact C-N 3.25Å; P385-V387 PolarHBondContact O-N 3.24Å; P385-V387 VanDerWaalsContact O-N 3.15Å; V387-D389 PolarHBondContact O-N 3.27Å; V387-S390 WeakPolarHBondContact O-CA 3.36Å; V387-S390 VanDerWaalsContact O-CB 3.26Å; V387-S390 WeakPolarHBondContact O-CB 3.37Å; V387-S390 PolarHBondContact O-N 3.4Å
388	G	97.9	Very high	97.4	Very high	17 Å²	17	49.1 Å²	49.1	18%	0.175	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-131	179.5	0	0	0	0	0	112.8	G334 N335 P385 Y386 S390	G334-G388 CarbonylContact C-O 3.58Å; G334-G388 WeakPolarHBondContact CA-O 3.47Å; G334-G388 PolarHBondContact N-O 3.34Å; N335-G388 PolarHBondContact N-O 3.3Å; P385-G388 PolarHBondContact O-N 2.91Å; P385-G388 VanDerWaalsContact O-N 3.11Å; Y386-G388 VanDerWaalsContact C-N 3.34Å; G388-S390 VanDerWaalsContact C-N 3.27Å; G388-S390 PolarHBondContact O-N 3.47Å
389	D	97.7	Very high	97.5	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.8	177.1	-154.8	72.4	0	0	0	114.1	N67 V153 N335 V387 K391 D417 S418	N67-D389 PolarHBondContact ND2-OD1 3.43Å; V153-D389 HydrophobicContact CG2-CB 4.09Å; N335-D389 PolarHBondContact ND2-OD1 3.36Å; V387-D389 PolarHBondContact O-N 3.27Å; D389-K391 PolarHBondContact O-N 3.04Å; D389-D417 PolarHBondContact O-N 3.13Å; D389-D417 VanDerWaalsContact O-N 3.12Å; D389-D417 PolarHBondContact OD2-N 3.24Å; D389-S418 VanDerWaalsContact CG-OG 3.22Å; D389-S418 PolarHBondContact OD1-OG 3.32Å; D389-S418 WeakPolarHBondContact OD2-CB 3.38Å; D389-S418 PolarHBondContact OD2-N 2.65Å; D389-S418 PolarHBondContact OD2-OG 2.88Å
390	S	97.9	Very high	97.6	Very high	15 Å²	15	50.2 Å²	50.2	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	66.4	-178.7	-166.7	0	0	0	0	111.1	V387 G388 R392 T414 C415 E416	V387-S390 WeakPolarHBondContact O-CA 3.36Å; V387-S390 VanDerWaalsContact O-CB 3.26Å; V387-S390 WeakPolarHBondContact O-CB 3.37Å; V387-S390 PolarHBondContact O-N 3.4Å; G388-S390 VanDerWaalsContact C-N 3.27Å; G388-S390 PolarHBondContact O-N 3.47Å; S390-R392 PolarHBondContact O-N 3.34Å; S390-R392 PolarHBondContact O-NE 2.68Å; S390-R392 VanDerWaalsContact O-NE 3.08Å; S390-R392 PolarHBondContact OG-NH2 2.98Å; S390-T414 WeakPolarHBondContact OG-CG2 3.49Å; S390-C415 CarbonylContact C-O 3.49Å; S390-E416 WeakPolarHBondContact CA-OE2 3.21Å; S390-E416 VanDerWaalsContact CB-OE1 3.28Å; S390-E416 WeakPolarHBondContact CB-OE1 3.47Å; S390-E416 WeakPolarHBondContact CB-OE2 3.41Å; S390-E416 PolarHBondContact OG-OE1 3.35Å
391	K	97.3	Very high	97.8	Very high	13 Å²	13	51.8 Å²	51.8	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.2	177.7	172.3	-174.1	173	-65.2	0	110.8	N331 H332 L333 D389 C415 D417	N331-K391 WeakPolarHBondContact OD1-CE 3.41Å; N331-K391 PolarHBondContact OD1-NZ 3.38Å; H332-K391 WeakPolarHBondContact O-CA 3.29Å; L333-K391 HydrophobicContact CB-CB 3.88Å; L333-K391 HydrophobicContact CB-CG 4.15Å; L333-K391 HydrophobicContact CD1-CD 4.43Å; D389-K391 PolarHBondContact O-N 3.04Å; K391-C415 HydrophobicContact CB-CB 4.25Å; K391-C415 WeakPolarHBondContact CB-O 3.37Å; K391-C415 PolarHBondContact N-O 3.25Å; K391-C415 PolarHBondContact O-N 2.88Å; K391-D417 HydrophobicContact CB-CB 4.29Å
392	R	97.9	Very high	97.9	Very high	74 Å²	74	58.7 Å²	58.7	28%	0.279	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.9	172	-49.8	-54.2	169.9	117.2	-0.7	109.8	N331 H332 S390 T414	N331-R392 CarbonylContact C-O 3.55Å; N331-R392 VanDerWaalsContact CA-O 3.25Å; N331-R392 WeakPolarHBondContact CA-O 3.19Å; H332-R392 VanDerWaalsContact CE1-CB 3.41Å; H332-R392 WeakPolarHBondContact CE1-CB 3.38Å; H332-R392 PolarHBondContact N-O 2.91Å; H332-R392 WeakPolarHBondContact NE2-CB 3.49Å; H332-R392 VanDerWaalsContact NE2-CG 3.34Å; H332-R392 WeakPolarHBondContact NE2-CG 3.15Å; H332-R392 PolarHBondContact O-N 2.9Å; S390-R392 PolarHBondContact O-N 3.34Å; S390-R392 PolarHBondContact O-NE 2.68Å; S390-R392 VanDerWaalsContact O-NE 3.08Å; S390-R392 PolarHBondContact OG-NH2 2.98Å; R392-T414 WeakPolarHBondContact CD-OG1 3.29Å; R392-T414 PolarHBondContact NH1-OG1 3.34Å; R392-T414 VanDerWaalsContact NH1-OG1 3.16Å
393	A	97.4	Very high	97.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.7	172.3	0	0	0	0	0	109	Q306 Y330 N413	Q306-A393 HydrophobicContact CB-CB 3.89Å; Q306-A393 HydrophobicContact CG-CB 4.17Å; Y330-A393 WeakPolarHBondContact O-CA 3.5Å; A393-N413 HydrophobicContact CB-CB 4.21Å; A393-N413 PolarHBondContact N-O 2.95Å; A393-N413 PolarHBondContact O-N 3.02Å
394	M	98.2	Very high	97.8	Very high	89 Å²	89	61.8 Å²	61.8	44%	0.438	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.8	175.7	-67.3	167.5	65.8	0	0	107.3	Y330 L411	Y330-M394 HydrophobicContact CD1-CB 4.38Å; Y330-M394 HydrophobicContact CD1-SD 4.2Å; Y330-M394 PolarHBondContact N-O 2.91Å; Y330-M394 PolarHBondContact O-N 3.04Å; M394-L411 WeakPolarHBondContact CA-O 3.26Å
395	D	97.6	Very high	97.8	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.3	-175.7	-62.9	-107.3	0	0	0	110	Q306 V328 S329 Y397 L411	Q306-D395 WeakPolarHBondContact CG-OD1 3.4Å; Q306-D395 WeakPolarHBondContact CG-OD2 3.46Å; Q306-D395 PolarHBondContact NE2-OD1 2.97Å; Q306-D395 VanDerWaalsContact NE2-OD1 3.09Å; Q306-D395 PolarHBondContact NE2-OD2 2.95Å; V328-D395 CarbonylContact O-C 3.57Å; V328-D395 WeakPolarHBondContact O-CA 3.25Å; S329-D395 VanDerWaalsContact CB-OD1 3.25Å; S329-D395 WeakPolarHBondContact CB-OD1 3.39Å; S329-D395 PolarHBondContact OG-OD1 3Å; D395-Y397 HydrophobicContact CB-CD2 4.35Å; D395-Y397 HydrophobicContact CB-CE2 3.58Å; D395-L411 HydrophobicContact CB-CB 4.33Å; D395-L411 PolarHBondContact N-O 3.49Å; D395-L411 PolarHBondContact O-N 3.35Å
396	E	98.3	Very high	97.8	Very high	93 Å²	93	61.9 Å²	61.9	44%	0.435	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.8	169.6	-171.1	176.4	-100.4	0	0	109	I327 V328 T408 I409	I327-E396 WeakPolarHBondContact CA-O 3.27Å; V328-E396 PolarHBondContact N-O 3.43Å; V328-E396 PolarHBondContact O-N 2.79Å; E396-T408 HydrophobicContact CG-CG2 3.89Å; E396-I409 WeakPolarHBondContact CA-O 3.2Å
397	Y	98.4	Very high	97.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.6	173.9	-59.8	-102.5	0	0	0	107.8	K310 L313 V314 L317 S326 I327 D395 T408 I409	K310-Y397 WeakPolarHBondContact CA-OH 3.46Å; K310-Y397 WeakPolarHBondContact CB-OH 3.49Å; K310-Y397 HydrophobicContact CG-CE1 4.33Å; L313-Y397 HydrophobicContact CB-CE1 4.35Å; L313-Y397 HydrophobicContact CD1-CD2 4.08Å; L313-Y397 HydrophobicContact CD1-CE1 4.45Å; L313-Y397 HydrophobicContact CD1-CE2 3.53Å; V314-Y397 HydrophobicContact CG2-CE1 4.14Å; L317-Y397 HydrophobicContact CD1-CD1 4.46Å; S326-Y397 WeakPolarHBondContact O-CA 3.28Å; I327-Y397 HydrophobicContact CB-CD1 4.48Å; I327-Y397 HydrophobicContact CD1-CD1 4.3Å; I327-Y397 HydrophobicContact CD1-CE1 4.34Å; I327-Y397 HydrophobicContact CG1-CD1 3.94Å; I327-Y397 HydrophobicContact CG1-CE1 4.29Å; I327-Y397 HydrophobicContact CG2-CD1 4.01Å; I327-Y397 HydrophobicContact CG2-CE1 3.69Å; D395-Y397 HydrophobicContact CB-CD2 4.35Å; D395-Y397 HydrophobicContact CB-CE2 3.58Å; Y397-T408 CarbonylContact O-C 3.59Å; Y397-T408 VanDerWaalsContact O-CA 3.3Å; Y397-T408 WeakPolarHBondContact O-CA 3.48Å; Y397-I409 PolarHBondContact N-O 3.29Å; Y397-I409 PolarHBondContact O-N 2.92Å
398	T	98.4	Very high	97.9	Very high	27 Å²	27	56.2 Å²	56.2	17%	0.166	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.8	172	-63.8	0	0	0	0	108.7	T325 S326 N407	T325-T398 PolarHBondContact N-O 3.01Å; T325-T398 PolarHBondContact OG1-O 3.47Å; S326-T398 PolarHBondContact N-O 2.66Å; S326-T398 PolarHBondContact O-N 3.41Å; T398-N407 CarbonylContact C-O 3.55Å; T398-N407 WeakPolarHBondContact CA-O 3.49Å
399	S	98.5	Very high	97.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.1	-176.1	-52.5	0	0	0	0	111.7	K323 P324 L406 N407	K323-S399 CarbonylContact O-C 3.02Å; K323-S399 WeakPolarHBondContact O-CA 3.08Å; K323-S399 VanDerWaalsContact O-CB 3.27Å; K323-S399 WeakPolarHBondContact O-CB 3.5Å; P324-S399 WeakPolarHBondContact CA-OG 3.2Å; S399-L406 CarbonylContact O-C 3.54Å; S399-L406 WeakPolarHBondContact O-CA 3.34Å; S399-N407 PolarHBondContact N-O 2.84Å; S399-N407 PolarHBondContact O-N 3.24Å
400	E	98.3	Very high	97.9	Very high	89 Å²	89	61.3 Å²	61.3	42%	0.416	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137	166	-70.8	174	170.2	0	0	110	K323 T325 L406	K323-E400 HydrophobicContact CB-CB 4.35Å; K323-E400 HydrophobicContact CD-CB 4.48Å; K323-E400 WeakPolarHBondContact CD-OE2 3.24Å; K323-E400 PolarHBondContact N-O 3.32Å; K323-E400 VanDerWaalsContact N-O 3.15Å; K323-E400 IonicContact NZ-OE2 3.43Å; K323-E400 PolarHBondContact NZ-OE2 3.05Å; K323-E400 PolarHBondContact O-N 3.05Å; T325-E400 HydrophobicContact CG2-CB 4.28Å; T325-E400 HydrophobicContact CG2-CG 3.7Å; E400-L406 HydrophobicContact CG-CD2 4.22Å
401	I	98.1	Very high	97.9	Very high	73 Å²	73	62.9 Å²	62.9	37%	0.374	35%	0.351	S	S	.	.			trans	-127.2	-178.3	174.3	59.4	168.3	0	0	0	110.1	I322 M403 G404 G405 N407	I322-I401 HydrophobicContact CG1-CG2 4.26Å; I322-I401 HydrophobicContact CG2-CG2 3.9Å; I401-M403 PolarHBondContact O-N 3.35Å; I401-G404 PolarHBondContact O-N 3.02Å; I401-G405 VanDerWaalsContact CG1-O 3.22Å; I401-G405 WeakPolarHBondContact CG1-O 3.22Å; I401-G405 PolarHBondContact N-O 2.85Å; I401-N407 HydrophobicContact CG2-CB 3.91Å
402	M	97.9	Very high	97.9	Very high	162 Å²	162	67.4 Å²	67.4	80%	0.798	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-46	138.8	-176.1	174.1	171.9	174.7	0	0	113.4	G404 G405	M402-G404 VanDerWaalsContact C-N 3.28Å; M402-G404 PolarHBondContact O-N 3.12Å; M402-G405 PolarHBondContact O-N 2.84Å
403	M	97.1	Very high	97.9	Very high	175 Å²	175	65.5 Å²	65.5	86%	0.862	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	58	31.5	174.1	-60.6	-63.9	-71.6	0	0	115	I401 G405	I401-M403 PolarHBondContact O-N 3.35Å; M403-G405 VanDerWaalsContact C-N 3.27Å; M403-G405 PolarHBondContact O-N 2.73Å
404	G	95.8	Very high	97.9	Very high	69 Å²	69	68.4 Å²	68.4	71%	0.711	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	77.8	11.9	179.1	0	0	0	0	0	113.9	I401 M402	I401-G404 PolarHBondContact O-N 3.02Å; M402-G404 VanDerWaalsContact C-N 3.28Å; M402-G404 PolarHBondContact O-N 3.12Å
405	G	98.1	Very high	97.8	Very high	26 Å²	26	64.2 Å²	64.2	27%	0.268	37%	0.365	S	S	.	.			trans	-67.1	159.2	170.7	0	0	0	0	0	111.5	I401 M402 M403	I401-G405 VanDerWaalsContact CG1-O 3.22Å; I401-G405 WeakPolarHBondContact CG1-O 3.22Å; I401-G405 PolarHBondContact N-O 2.85Å; M402-G405 PolarHBondContact O-N 2.84Å; M403-G405 VanDerWaalsContact C-N 3.27Å; M403-G405 PolarHBondContact O-N 2.73Å
406	L	98.2	Very high	97.7	Very high	117 Å²	117	67.4 Å²	67.4	61%	0.613	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	175.2	-60.7	177.9	0	0	0	110.6	S399 E400	S399-L406 CarbonylContact O-C 3.54Å; S399-L406 WeakPolarHBondContact O-CA 3.34Å; E400-L406 HydrophobicContact CG-CD2 4.22Å
407	N	98.2	Very high	97.6	Very high	52 Å²	52	64 Å²	64	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	166.4	174.2	-107.8	0	0	0	109.1	T398 S399 I401	T398-N407 CarbonylContact C-O 3.55Å; T398-N407 WeakPolarHBondContact CA-O 3.49Å; S399-N407 PolarHBondContact N-O 2.84Å; S399-N407 PolarHBondContact O-N 3.24Å; I401-N407 HydrophobicContact CG2-CB 3.91Å
408	T	98.3	Very high	97.6	Very high	77 Å²	77	64 Å²	64	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.1	177	-55.4	0	0	0	0	109.9	E396 Y397	E396-T408 HydrophobicContact CG-CG2 3.89Å; Y397-T408 CarbonylContact O-C 3.59Å; Y397-T408 VanDerWaalsContact O-CA 3.3Å; Y397-T408 WeakPolarHBondContact O-CA 3.48Å
409	I	98.4	Very high	97.6	Very high	48 Å²	48	66.4 Å²	66.4	25%	0.246	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.5	173.6	-60	172.7	0	0	0	108	L317 E396 Y397	L317-I409 HydrophobicContact CD2-CD1 4.12Å; E396-I409 WeakPolarHBondContact CA-O 3.2Å; Y397-I409 PolarHBondContact N-O 3.29Å; Y397-I409 PolarHBondContact O-N 2.92Å
410	A	97.9	Very high	97.6	Very high	83 Å²	83	69.4 Å²	69.4	69%	0.686	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.4	170.2	0	0	0	0	0	109.9
411	L	97.4	Very high	97.6	Very high	48 Å²	48	65.3 Å²	65.3	25%	0.251	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.9	-177.7	-175.5	87.2	0	0	0	109.7	I309 M394 D395 N413	I309-L411 HydrophobicContact CD1-CD2 4.43Å; I309-L411 HydrophobicContact CG2-CD2 3.91Å; M394-L411 WeakPolarHBondContact CA-O 3.26Å; D395-L411 HydrophobicContact CB-CB 4.33Å; D395-L411 PolarHBondContact N-O 3.49Å; D395-L411 PolarHBondContact O-N 3.35Å; L411-N413 HydrophobicContact CD2-CB 4.38Å
412	H	97.9	Very high	97.7	Very high	108 Å²	108	62.1 Å²	62.1	50%	0.5	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.1	162.3	-178.8	90.6	0	0	0	109.3	T414	H412-T414 PolarHBondContact NE2-OG1 3.37Å
413	N	97.4	Very high	97.7	Very high	35 Å²	35	55 Å²	55	19%	0.187	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.3	179.2	-177.1	2.8	0	0	0	110.3	I309 A393 L411 C415	I309-N413 VanDerWaalsContact CD1-ND2 3.28Å; I309-N413 WeakPolarHBondContact CD1-ND2 3.37Å; A393-N413 HydrophobicContact CB-CB 4.21Å; A393-N413 PolarHBondContact N-O 2.95Å; A393-N413 PolarHBondContact O-N 3.02Å; L411-N413 HydrophobicContact CD2-CB 4.38Å; N413-C415 PolarHBondContact ND2-SG 3.17Å; N413-C415 VanDerWaalsContact ND2-SG 3.35Å; N413-C415 PolarHBondContact OD1-SG 2.82Å; N413-C415 VanDerWaalsContact OD1-SG 3.34Å
414	T	98	Very high	97.8	Very high	60 Å²	60	46.7 Å²	46.7	37%	0.368	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.2	169.8	-64.3	0	0	0	0	108.5	S390 R392 H412	S390-T414 WeakPolarHBondContact OG-CG2 3.49Å; R392-T414 WeakPolarHBondContact CD-OG1 3.29Å; R392-T414 PolarHBondContact NH1-OG1 3.34Å; R392-T414 VanDerWaalsContact NH1-OG1 3.16Å; H412-T414 PolarHBondContact NE2-OG1 3.37Å
415	C	94.8	Very high	97.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.6	-175.1	-64.7	0	0	0	0	109.2	S390 K391 N413 D417 L420	S390-C415 CarbonylContact C-O 3.49Å; K391-C415 HydrophobicContact CB-CB 4.25Å; K391-C415 WeakPolarHBondContact CB-O 3.37Å; K391-C415 PolarHBondContact N-O 3.25Å; K391-C415 PolarHBondContact O-N 2.88Å; N413-C415 PolarHBondContact ND2-SG 3.17Å; N413-C415 VanDerWaalsContact ND2-SG 3.35Å; N413-C415 PolarHBondContact OD1-SG 2.82Å; N413-C415 VanDerWaalsContact OD1-SG 3.34Å; C415-D417 VanDerWaalsContact C-N 3.34Å; C415-D417 PolarHBondContact O-N 2.98Å; C415-L420 HydrophobicContact CB-CD1 3.72Å
416	E	97.6	Very high	97.9	Very high	72 Å²	72	42.3 Å²	42.3	34%	0.336	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	94.8	161.9	-57.4	-53.4	146.5	0	0	107.6	S390 S418 L419 L420	S390-E416 WeakPolarHBondContact CA-OE2 3.21Å; S390-E416 VanDerWaalsContact CB-OE1 3.28Å; S390-E416 WeakPolarHBondContact CB-OE1 3.47Å; S390-E416 WeakPolarHBondContact CB-OE2 3.41Å; S390-E416 PolarHBondContact OG-OE1 3.35Å; E416-S418 PolarHBondContact O-N 2.85Å; E416-L419 HydrophobicContact CB-CB 4Å; E416-L419 HydrophobicContact CB-CD1 3.88Å; E416-L419 HydrophobicContact CB-CG 4.22Å; E416-L419 HydrophobicContact CG-CD1 4.31Å; E416-L419 PolarHBondContact O-N 3.48Å; E416-L420 PolarHBondContact O-N 2.82Å
417	D	95.8	Very high	98	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-42.8	-158.8	-159.2	22.8	0	0	0	111.8	S304 D389 K391 C415 L419 L420 A421	S304-D417 PolarHBondContact OG-OD1 3.3Å; D389-D417 PolarHBondContact O-N 3.13Å; D389-D417 VanDerWaalsContact O-N 3.12Å; D389-D417 PolarHBondContact OD2-N 3.24Å; K391-D417 HydrophobicContact CB-CB 4.29Å; C415-D417 VanDerWaalsContact C-N 3.34Å; C415-D417 PolarHBondContact O-N 2.98Å; D417-L419 PolarHBondContact O-N 2.82Å; D417-L420 PolarHBondContact O-N 3.23Å; D417-A421 WeakPolarHBondContact O-CB 3.44Å; D417-A421 PolarHBondContact O-N 2.99Å
418	S	98.3	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-33.5	178.9	-59.6	0	0	0	0	112.8	N67 N68 D389 E416 L420 A421 S422	N67-S418 WeakPolarHBondContact CB-OG 3.43Å; N68-S418 PolarHBondContact OD1-OG 3.36Å; D389-S418 VanDerWaalsContact CG-OG 3.22Å; D389-S418 PolarHBondContact OD1-OG 3.32Å; D389-S418 WeakPolarHBondContact OD2-CB 3.38Å; D389-S418 PolarHBondContact OD2-N 2.65Å; D389-S418 PolarHBondContact OD2-OG 2.88Å; E416-S418 PolarHBondContact O-N 2.85Å; S418-L420 VanDerWaalsContact C-N 3.3Å; S418-A421 PolarHBondContact O-N 3.28Å; S418-S422 VanDerWaalsContact O-CB 3.29Å; S418-S422 WeakPolarHBondContact O-CB 3.41Å; S418-S422 PolarHBondContact O-N 3.44Å; S418-S422 PolarHBondContact O-OG 3.35Å
419	L	98.6	Very high	98	Very high	78 Å²	78	30.7 Å²	30.7	41%	0.408	17%	0.172	S	C	.	.	H	α-helix	trans	-71.6	-25.7	174.9	-68.2	178.2	0	0	0	112.1	T71 V153 L154 E416 D417 P423	T71-L419 HydrophobicContact CG2-CD2 3.99Å; V153-L419 HydrophobicContact CG1-CD1 4.42Å; V153-L419 HydrophobicContact CG1-CD2 3.88Å; V153-L419 HydrophobicContact CG1-CG 3.71Å; L154-L419 HydrophobicContact CD2-CD2 4.01Å; E416-L419 HydrophobicContact CB-CB 4Å; E416-L419 HydrophobicContact CB-CD1 3.88Å; E416-L419 HydrophobicContact CB-CG 4.22Å; E416-L419 HydrophobicContact CG-CD1 4.31Å; E416-L419 PolarHBondContact O-N 3.48Å; D417-L419 PolarHBondContact O-N 2.82Å; L419-P423 WeakPolarHBondContact O-CD 3.45Å; L419-P423 WeakPolarHBondContact O-CG 3.4Å
420	L	98.3	Very high	98.1	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.335	16%	0.16	S	C	.	.	H	α-helix	trans	-83.1	-33.8	171.4	-67.7	173.2	0	0	0	112.7	C415 E416 D417 S418	C415-L420 HydrophobicContact CB-CD1 3.72Å; E416-L420 PolarHBondContact O-N 2.82Å; D417-L420 PolarHBondContact O-N 3.23Å; S418-L420 VanDerWaalsContact C-N 3.3Å
421	A	98.4	Very high	98.1	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-79.5	-36.8	-178.6	0	0	0	0	0	113.3	F302 D417 S418 I424 I425	F302-A421 HydrophobicContact CD2-CB 4.26Å; D417-A421 WeakPolarHBondContact O-CB 3.44Å; D417-A421 PolarHBondContact O-N 2.99Å; S418-A421 PolarHBondContact O-N 3.28Å; A421-I424 WeakPolarHBondContact O-CA 3.47Å; A421-I424 WeakPolarHBondContact O-CB 2.97Å; A421-I424 PolarHBondContact O-N 3.48Å; A421-I425 PolarHBondContact O-N 3.49Å
422	S	98.6	Very high	98.2	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-42.6	-176.5	-59.3	0	0	0	0	113.8	T71 V72 S418 I424 I425 L426	T71-S422 WeakPolarHBondContact CB-OG 3.32Å; T71-S422 VanDerWaalsContact CG2-OG 3.23Å; T71-S422 WeakPolarHBondContact CG2-OG 3.5Å; V72-S422 PolarHBondContact N-OG 3.23Å; S418-S422 VanDerWaalsContact O-CB 3.29Å; S418-S422 WeakPolarHBondContact O-CB 3.41Å; S418-S422 PolarHBondContact O-N 3.44Å; S418-S422 PolarHBondContact O-OG 3.35Å; S422-I424 VanDerWaalsContact C-N 3.29Å; S422-I424 PolarHBondContact O-N 2.86Å; S422-I425 WeakPolarHBondContact O-CB 3.09Å; S422-I425 PolarHBondContact O-N 3.04Å; S422-L426 PolarHBondContact O-N 2.92Å
423	P	98.6	Very high	98.2	Very high	12 Å²	12	17.3 Å²	17.3	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-30.4	173.5	-20.8	33.3	0	0	0	113.4	Y97 S99 L419 L426 D427	Y97-P423 WeakPolarHBondContact O-CG 3.47Å; S99-P423 VanDerWaalsContact N-CB 3.34Å; L419-P423 WeakPolarHBondContact O-CD 3.45Å; L419-P423 WeakPolarHBondContact O-CG 3.4Å; P423-L426 WeakPolarHBondContact O-CB 3.47Å; P423-L426 PolarHBondContact O-N 3.03Å; P423-D427 PolarHBondContact O-N 2.76Å
424	I	98.8	Very high	98.3	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-40.3	174.8	-70.6	172	0	0	0	110.9	F302 K303 A421 S422 L426 D427 L428 L461	F302-I424 HydrophobicContact CB-CG2 4.3Å; F302-I424 HydrophobicContact CD1-CG2 3.79Å; F302-I424 HydrophobicContact CG-CG2 4.31Å; K303-I424 WeakPolarHBondContact O-CD1 3.34Å; A421-I424 WeakPolarHBondContact O-CA 3.47Å; A421-I424 WeakPolarHBondContact O-CB 2.97Å; A421-I424 PolarHBondContact O-N 3.48Å; S422-I424 VanDerWaalsContact C-N 3.29Å; S422-I424 PolarHBondContact O-N 2.86Å; I424-L426 VanDerWaalsContact C-N 3.28Å; I424-L426 PolarHBondContact O-N 2.85Å; I424-D427 PolarHBondContact O-N 3.41Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 HydrophobicContact CG2-CG 4.25Å; I424-L428 WeakPolarHBondContact O-CB 3.27Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.25Å; I424-L428 PolarHBondContact O-N 3.4Å; I424-L461 HydrophobicContact CB-CD2 4.48Å; I424-L461 HydrophobicContact CG1-CD2 4.2Å; I424-L461 HydrophobicContact CG2-CB 3.98Å; I424-L461 HydrophobicContact CG2-CD2 4.13Å
425	I	98.9	Very high	98.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.6	-45.8	173.1	-70.1	171	0	0	0	110.1	L61 N68 V72 L223 F302 A421 S422 L428 V429	L61-I425 HydrophobicContact CD2-CG2 4.31Å; N68-I425 HydrophobicContact CB-CD1 3.84Å; V72-I425 HydrophobicContact CG1-CG2 4.42Å; V72-I425 HydrophobicContact CG2-CB 4.43Å; V72-I425 HydrophobicContact CG2-CG2 4.17Å; L223-I425 HydrophobicContact CD1-CG2 4.14Å; L223-I425 HydrophobicContact CD2-CG1 4.31Å; L223-I425 HydrophobicContact CD2-CG2 4.48Å; F302-I425 HydrophobicContact CE1-CG1 3.88Å; F302-I425 HydrophobicContact CE2-CD1 4.09Å; F302-I425 HydrophobicContact CE2-CG1 4.03Å; F302-I425 HydrophobicContact CZ-CD1 3.88Å; F302-I425 HydrophobicContact CZ-CG1 3.44Å; F302-I425 VanDerWaalsContact CZ-CG1 3.44Å; A421-I425 PolarHBondContact O-N 3.49Å; S422-I425 WeakPolarHBondContact O-CB 3.09Å; S422-I425 PolarHBondContact O-N 3.04Å; I425-L428 PolarHBondContact O-N 3.08Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.14Å; I425-V429 VanDerWaalsContact O-N 3.17Å
426	L	98.8	Very high	98.5	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-48	176.7	-63.9	175.3	0	0	0	111.7	V72 V76 Y96 P129 I132 F134 S422 P423 I424 L428 V429 I430	V72-L426 HydrophobicContact CG2-CD1 4.35Å; V72-L426 HydrophobicContact CG2-CD2 3.65Å; V72-L426 HydrophobicContact CG2-CG 3.74Å; V76-L426 HydrophobicContact CG2-CD1 4.4Å; V76-L426 HydrophobicContact CG2-CD2 3.94Å; Y96-L426 HydrophobicContact CD1-CD1 3.62Å; Y96-L426 HydrophobicContact CE1-CD1 3.66Å; P129-L426 HydrophobicContact CB-CD1 4.14Å; P129-L426 HydrophobicContact CB-CD2 4.24Å; P129-L426 HydrophobicContact CG-CD1 4.38Å; I132-L426 HydrophobicContact CD1-CD2 4.03Å; F134-L426 HydrophobicContact CZ-CD2 4.1Å; S422-L426 PolarHBondContact O-N 2.92Å; P423-L426 WeakPolarHBondContact O-CB 3.47Å; P423-L426 PolarHBondContact O-N 3.03Å; I424-L426 VanDerWaalsContact C-N 3.28Å; I424-L426 PolarHBondContact O-N 2.85Å; L426-L428 VanDerWaalsContact C-N 3.31Å; L426-L428 PolarHBondContact O-N 3.31Å; L426-V429 WeakPolarHBondContact O-CG2 3.34Å; L426-V429 PolarHBondContact O-N 3.18Å; L426-I430 HydrophobicContact CB-CD1 4.33Å; L426-I430 VanDerWaalsContact O-CB 3.27Å; L426-I430 WeakPolarHBondContact O-CB 3.36Å; L426-I430 WeakPolarHBondContact O-CD1 3.43Å; L426-I430 WeakPolarHBondContact O-CG1 3.28Å; L426-I430 PolarHBondContact O-N 3.49Å
427	D	98.8	Very high	98.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.011	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-39.3	179.5	-69.5	-29	0	0	0	112.1	S99 L100 L101 P423 I424 L431 L461	S99-D427 VanDerWaalsContact CA-OD2 3.3Å; S99-D427 WeakPolarHBondContact CA-OD2 3.45Å; S99-D427 WeakPolarHBondContact CB-OD1 3.24Å; S99-D427 PolarHBondContact OG-OD1 3.08Å; L100-D427 PolarHBondContact N-OD1 2.99Å; L100-D427 PolarHBondContact N-OD2 3.44Å; L101-D427 WeakPolarHBondContact CB-OD1 3.3Å; L101-D427 HydrophobicContact CD1-CB 4.36Å; L101-D427 HydrophobicContact CG-CB 4.47Å; L101-D427 WeakPolarHBondContact CG-OD1 3.44Å; L101-D427 PolarHBondContact N-OD1 3.36Å; L101-D427 VanDerWaalsContact N-OD1 3.12Å; P423-D427 PolarHBondContact O-N 2.76Å; I424-D427 PolarHBondContact O-N 3.41Å; D427-L431 WeakPolarHBondContact O-CB 3.25Å; D427-L431 PolarHBondContact O-N 3.13Å; D427-L461 HydrophobicContact CB-CD1 3.59Å; D427-L461 HydrophobicContact CB-CD2 3.85Å; D427-L461 HydrophobicContact CB-CG 4.4Å
428	L	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-51.2	178.9	-81.1	166.7	0	0	0	111.5	L223 I274 F302 I424 I425 L426 T432 L458 L461	L223-L428 HydrophobicContact CD1-CB 4.29Å; L223-L428 HydrophobicContact CD1-CD1 4.24Å; I274-L428 HydrophobicContact CD1-CB 4.08Å; I274-L428 HydrophobicContact CG2-CB 4.46Å; I274-L428 HydrophobicContact CG2-CD1 4.11Å; I274-L428 HydrophobicContact CG2-CD2 4.17Å; I274-L428 HydrophobicContact CG2-CG 4.5Å; F302-L428 HydrophobicContact CD1-CD1 3.68Å; F302-L428 HydrophobicContact CE1-CD1 3.48Å; F302-L428 VanDerWaalsContact CE1-CD1 3.48Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 HydrophobicContact CG2-CG 4.25Å; I424-L428 WeakPolarHBondContact O-CB 3.27Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.25Å; I424-L428 PolarHBondContact O-N 3.4Å; I425-L428 PolarHBondContact O-N 3.08Å; L426-L428 VanDerWaalsContact C-N 3.31Å; L426-L428 PolarHBondContact O-N 3.31Å; L428-T432 VanDerWaalsContact O-CB 3.26Å; L428-T432 WeakPolarHBondContact O-CB 3.45Å; L428-T432 PolarHBondContact O-N 3.23Å; L428-T432 PolarHBondContact O-OG1 3.12Å; L428-L458 HydrophobicContact CD2-CB 3.88Å; L428-L458 HydrophobicContact CD2-CD1 3.97Å; L428-L458 HydrophobicContact CD2-CD2 4.25Å; L428-L458 HydrophobicContact CD2-CG 4.24Å; L428-L461 HydrophobicContact CB-CD1 4.36Å; L428-L461 HydrophobicContact CD1-CB 4.47Å; L428-L461 HydrophobicContact CD2-CB 3.64Å; L428-L461 HydrophobicContact CD2-CD1 3.78Å; L428-L461 HydrophobicContact CD2-CG 4.35Å; L428-L461 HydrophobicContact CG-CB 3.85Å; L428-L461 HydrophobicContact CG-CD1 3.73Å; L428-L461 HydrophobicContact CG-CG 4.38Å
429	V	98.8	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.2	-36.7	-177.2	-59.1	0	0	0	0	111.6	L57 V59 I132 I221 L223 I274 I425 L426 E433	L57-V429 HydrophobicContact CD2-CG2 4.44Å; V59-V429 HydrophobicContact CG1-CG1 4.01Å; V59-V429 HydrophobicContact CG2-CB 3.99Å; V59-V429 HydrophobicContact CG2-CG1 4.05Å; V59-V429 HydrophobicContact CG2-CG2 3.94Å; I132-V429 HydrophobicContact CD1-CG2 4.1Å; I221-V429 HydrophobicContact CD1-CB 4.28Å; I221-V429 WeakPolarHBondContact CD1-O 3.48Å; I221-V429 HydrophobicContact CG2-CB 4.43Å; I221-V429 HydrophobicContact CG2-CG1 4.01Å; L223-V429 HydrophobicContact CD1-CG1 3.97Å; I274-V429 HydrophobicContact CD1-CG1 4.31Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.14Å; I425-V429 VanDerWaalsContact O-N 3.17Å; L426-V429 WeakPolarHBondContact O-CG2 3.34Å; L426-V429 PolarHBondContact O-N 3.18Å; V429-E433 WeakPolarHBondContact O-CB 3.36Å; V429-E433 PolarHBondContact O-N 3.06Å
430	I	98.8	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-70.1	-44.1	179.5	-67.3	168	0	0	0	110.8	L101 M126 V127 P129 I132 L426 E433 L434	L101-I430 HydrophobicContact CD1-CB 3.89Å; L101-I430 HydrophobicContact CD1-CG2 3.63Å; M126-I430 HydrophobicContact CG-CG2 3.24Å; M126-I430 HydrophobicContact SD-CG2 3.32Å; M126-I430 WeakPolarHBondContact SD-CG2 3.35Å; V127-I430 HydrophobicContact CB-CG1 4.39Å; V127-I430 HydrophobicContact CG1-CG1 4.44Å; P129-I430 HydrophobicContact CG-CD1 3.83Å; I132-I430 HydrophobicContact CD1-CD1 4.41Å; I132-I430 HydrophobicContact CD1-CG1 4.21Å; L426-I430 HydrophobicContact CB-CD1 4.33Å; L426-I430 VanDerWaalsContact O-CB 3.27Å; L426-I430 WeakPolarHBondContact O-CB 3.36Å; L426-I430 WeakPolarHBondContact O-CD1 3.43Å; L426-I430 WeakPolarHBondContact O-CG1 3.28Å; L426-I430 PolarHBondContact O-N 3.49Å; I430-E433 PolarHBondContact O-N 3.27Å; I430-L434 PolarHBondContact O-N 3.22Å
431	L	98.7	Very high	98.5	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-66.5	-40	176.9	-175.8	56.5	0	0	0	111.4	L101 D427 L434 C435 L458 I484	L101-L431 HydrophobicContact CD1-CB 4.37Å; D427-L431 WeakPolarHBondContact O-CB 3.25Å; D427-L431 PolarHBondContact O-N 3.13Å; L431-L434 HydrophobicContact CD1-CD2 4.34Å; L431-L434 PolarHBondContact O-N 2.89Å; L431-C435 PolarHBondContact O-N 2.83Å; L431-C435 PolarHBondContact O-SG 3.34Å; L431-L458 HydrophobicContact CB-CD2 4.04Å; L431-L458 HydrophobicContact CD2-CD2 3.8Å; L431-L458 HydrophobicContact CG-CD2 3.89Å; L431-I484 HydrophobicContact CD1-CG2 4.27Å; L431-I484 HydrophobicContact CD2-CD1 3.82Å; L431-I484 HydrophobicContact CD2-CG1 4.16Å; L431-I484 HydrophobicContact CD2-CG2 4.36Å
432	T	98.9	Very high	98.4	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.012	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-45.2	174.4	-59.4	0	0	0	0	111.5	I221 A272 I274 F296 L428 L434 C435 Q436 L455 L458	I221-T432 HydrophobicContact CD1-CG2 3.94Å; A272-T432 HydrophobicContact CB-CG2 3.73Å; I274-T432 HydrophobicContact CD1-CG2 4.37Å; I274-T432 VanDerWaalsContact CD1-OG1 3.29Å; I274-T432 WeakPolarHBondContact CD1-OG1 3.46Å; F296-T432 HydrophobicContact CB-CG2 4.46Å; L428-T432 VanDerWaalsContact O-CB 3.26Å; L428-T432 WeakPolarHBondContact O-CB 3.45Å; L428-T432 PolarHBondContact O-N 3.23Å; L428-T432 PolarHBondContact O-OG1 3.12Å; T432-L434 PolarHBondContact O-N 2.87Å; T432-C435 PolarHBondContact O-N 3.32Å; T432-Q436 WeakPolarHBondContact O-CG 3.26Å; T432-Q436 PolarHBondContact O-N 2.76Å; T432-Q436 VanDerWaalsContact O-N 3.1Å; T432-L455 HydrophobicContact CG2-CD2 4.27Å; T432-L458 WeakPolarHBondContact OG1-CD1 3.3Å
433	E	98.7	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-46.7	175.6	-171.8	-68.9	128.4	0	0	111.4	P55 L57 V127 K219 I221 V429 I430 C435 Q436 R437	P55-E433 WeakPolarHBondContact CD-OE1 3.26Å; P55-E433 HydrophobicContact CG-CG 3.86Å; P55-E433 WeakPolarHBondContact CG-OE1 3.41Å; L57-E433 HydrophobicContact CD1-CG 4.25Å; L57-E433 HydrophobicContact CD2-CB 4.23Å; L57-E433 HydrophobicContact CD2-CG 4.38Å; V127-E433 HydrophobicContact CG2-CB 4.49Å; V127-E433 HydrophobicContact CG2-CG 3.84Å; K219-E433 HydrophobicContact CD-CG 4.33Å; K219-E433 IonicContact NZ-OE1 3.86Å; K219-E433 PolarHBondContact NZ-OE1 3.45Å; I221-E433 HydrophobicContact CD1-CB 4.12Å; V429-E433 WeakPolarHBondContact O-CB 3.36Å; V429-E433 PolarHBondContact O-N 3.06Å; I430-E433 PolarHBondContact O-N 3.27Å; E433-C435 VanDerWaalsContact C-N 3.31Å; E433-C435 PolarHBondContact O-N 3.11Å; E433-Q436 WeakPolarHBondContact O-CB 3.47Å; E433-Q436 PolarHBondContact O-N 3.15Å; E433-Q436 VanDerWaalsContact O-N 3.08Å; E433-R437 WeakPolarHBondContact OE1-CD 3.28Å; E433-R437 IonicContact OE1-CZ 3.78Å; E433-R437 IonicContact OE1-NE 2.77Å; E433-R437 PolarHBondContact OE1-NE 3.08Å; E433-R437 IonicContact OE1-NH2 2.9Å; E433-R437 IonicContact OE2-CZ 3.41Å; E433-R437 IonicContact OE2-NE 3.16Å; E433-R437 PolarHBondContact OE2-NE 2.82Å; E433-R437 VanDerWaalsContact OE2-NE 3.16Å; E433-R437 IonicContact OE2-NH2 2.94Å; E433-R437 PolarHBondContact OE2-NH2 3.36Å
434	L	98.6	Very high	97.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-45.2	177.5	175.9	66.1	0	0	0	111	T50 L124 M126 I430 L431 T432 Q436 R437 V438 M488	T50-L434 HydrophobicContact CG2-CD1 4.47Å; L124-L434 HydrophobicContact CB-CD1 4.23Å; L124-L434 HydrophobicContact CD1-CD1 4.19Å; L124-L434 HydrophobicContact CD1-CD2 4.23Å; M126-L434 HydrophobicContact CE-CD2 4.22Å; I430-L434 PolarHBondContact O-N 3.22Å; L431-L434 HydrophobicContact CD1-CD2 4.34Å; L431-L434 PolarHBondContact O-N 2.89Å; T432-L434 PolarHBondContact O-N 2.87Å; L434-Q436 PolarHBondContact O-N 3.11Å; L434-R437 PolarHBondContact O-N 3.2Å; L434-V438 WeakPolarHBondContact O-CG2 3.3Å; L434-V438 PolarHBondContact O-N 2.81Å; L434-M488 HydrophobicContact CD2-CE 3.84Å; L434-M488 HydrophobicContact CD2-CG 4.37Å; L434-M488 HydrophobicContact CD2-SD 4.2Å
435	C	98.6	Very high	97.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-32.7	176.8	-71.8	0	0	0	0	112.7	F296 L431 T432 E433 R437 V438 F451 L455	F296-C435 HydrophobicContact CE2-CB 4.1Å; L431-C435 PolarHBondContact O-N 2.83Å; L431-C435 PolarHBondContact O-SG 3.34Å; T432-C435 PolarHBondContact O-N 3.32Å; E433-C435 VanDerWaalsContact C-N 3.31Å; E433-C435 PolarHBondContact O-N 3.11Å; C435-R437 PolarHBondContact O-N 2.91Å; C435-V438 PolarHBondContact O-N 2.97Å; C435-F451 HydrophobicContact CB-CD2 3.93Å; C435-F451 HydrophobicContact CB-CE2 4.21Å; C435-L455 HydrophobicContact CB-CD1 3.94Å; C435-L455 HydrophobicContact CB-CD2 3.83Å
436	Q	98.4	Very high	97.2	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.257	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.2	174.1	-67.4	174.3	-40.1	0	0	113.8	F296 T432 E433 L434	F296-Q436 HydrophobicContact CD2-CG 3.49Å; F296-Q436 VanDerWaalsContact CD2-CG 3.49Å; F296-Q436 HydrophobicContact CE2-CB 4.25Å; F296-Q436 HydrophobicContact CE2-CG 3.59Å; T432-Q436 WeakPolarHBondContact O-CG 3.26Å; T432-Q436 PolarHBondContact O-N 2.76Å; T432-Q436 VanDerWaalsContact O-N 3.1Å; E433-Q436 WeakPolarHBondContact O-CB 3.47Å; E433-Q436 PolarHBondContact O-N 3.15Å; E433-Q436 VanDerWaalsContact O-N 3.08Å; L434-Q436 PolarHBondContact O-N 3.11Å
437	R	97.9	Very high	97	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.03	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.3	177.3	-74.6	-170.8	-69.7	108.2	2	113.8	T50 E51 R53 P125 E433 L434 C435	T50-R437 WeakPolarHBondContact CA-O 3.39Å; E51-R437 HydrophobicContact CB-CB 3.98Å; E51-R437 HydrophobicContact CB-CG 4.07Å; E51-R437 PolarHBondContact N-O 2.81Å; E51-R437 PolarHBondContact O-NH1 2.87Å; R53-R437 VanDerWaalsContact O-CD 3.31Å; R53-R437 WeakPolarHBondContact O-CD 3.42Å; P125-R437 PolarHBondContact O-NH1 2.66Å; P125-R437 PolarHBondContact O-NH2 3.39Å; E433-R437 WeakPolarHBondContact OE1-CD 3.28Å; E433-R437 IonicContact OE1-CZ 3.78Å; E433-R437 IonicContact OE1-NE 2.77Å; E433-R437 PolarHBondContact OE1-NE 3.08Å; E433-R437 IonicContact OE1-NH2 2.9Å; E433-R437 IonicContact OE2-CZ 3.41Å; E433-R437 IonicContact OE2-NE 3.16Å; E433-R437 PolarHBondContact OE2-NE 2.82Å; E433-R437 VanDerWaalsContact OE2-NE 3.16Å; E433-R437 IonicContact OE2-NH2 2.94Å; E433-R437 PolarHBondContact OE2-NH2 3.36Å; L434-R437 PolarHBondContact O-N 3.2Å; C435-R437 PolarHBondContact O-N 2.91Å
438	V	98.5	Very high	96.9	Very high	3 Å²	3	44 Å²	44	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.3	-179.9	176.9	0	0	0	0	108.9	F48 R49 T50 L434 C435 V440 F451	F48-V438 HydrophobicContact CD1-CG1 4.29Å; R49-V438 WeakPolarHBondContact O-CA 3.47Å; T50-V438 HydrophobicContact CG2-CG2 4.04Å; L434-V438 WeakPolarHBondContact O-CG2 3.3Å; L434-V438 PolarHBondContact O-N 2.81Å; C435-V438 PolarHBondContact O-N 2.97Å; V438-V440 HydrophobicContact CG1-CG2 4.38Å; V438-F451 HydrophobicContact CB-CE2 3.76Å; V438-F451 HydrophobicContact CB-CZ 4.25Å; V438-F451 HydrophobicContact CG1-CE2 3.73Å; V438-F451 HydrophobicContact CG1-CZ 3.69Å
439	T	98.3	Very high	96.8	Very high	40 Å²	40	48.8 Å²	48.8	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.5	170.3	56.1	0	0	0	0	109.6	R49 Q449	R49-T439 PolarHBondContact N-O 2.83Å; R49-T439 PolarHBondContact O-N 2.81Å; R49-T439 PolarHBondContact O-OG1 3.48Å; T439-Q449 CarbonylContact C-O 3.27Å; T439-Q449 VanDerWaalsContact CA-O 3.26Å; T439-Q449 WeakPolarHBondContact CA-O 3.46Å; T439-Q449 WeakPolarHBondContact CB-O 3.25Å
440	V	98	Very high	96.6	Very high	17 Å²	17	51.6 Å²	51.6	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.8	-174.8	-170.4	0	0	0	0	108.7	M46 T47 F48 V438 Q449 F451	M46-V440 HydrophobicContact CB-CG1 4.22Å; M46-V440 HydrophobicContact SD-CG1 4.19Å; T47-V440 CarbonylContact O-C 3.11Å; T47-V440 WeakPolarHBondContact O-CA 3.45Å; F48-V440 HydrophobicContact CD1-CG1 4.39Å; F48-V440 HydrophobicContact CD1-CG2 3.57Å; F48-V440 HydrophobicContact CD2-CG1 4.42Å; F48-V440 HydrophobicContact CE1-CB 4.46Å; F48-V440 HydrophobicContact CE1-CG1 4.13Å; F48-V440 HydrophobicContact CE1-CG2 3.45Å; F48-V440 VanDerWaalsContact CE1-CG2 3.45Å; F48-V440 HydrophobicContact CE2-CG1 4.15Å; F48-V440 HydrophobicContact CG-CG2 4.34Å; F48-V440 HydrophobicContact CZ-CG1 4Å; F48-V440 HydrophobicContact CZ-CG2 4.15Å; V438-V440 HydrophobicContact CG1-CG2 4.38Å; V440-Q449 PolarHBondContact N-O 3.26Å; V440-Q449 VanDerWaalsContact O-CG 3.29Å; V440-Q449 WeakPolarHBondContact O-CG 3.43Å; V440-Q449 PolarHBondContact O-N 3.09Å; V440-F451 HydrophobicContact CG2-CE1 4.31Å
441	R	97.6	Very high	96.6	Very high	82 Å²	82	53.7 Å²	53.7	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	102.8	172.3	-173	172.4	65.7	105.4	4	109.8	M46 T47 E445 E446 D447 F448	M46-R441 WeakPolarHBondContact CA-O 3.1Å; T47-R441 PolarHBondContact N-O 2.86Å; T47-R441 PolarHBondContact O-N 2.89Å; R441-E445 WeakPolarHBondContact CD-O 3.4Å; R441-E445 HydrophobicContact CG-CB 4.13Å; R441-E445 PolarHBondContact NH1-O 2.97Å; R441-E446 WeakPolarHBondContact CD-O 3.25Å; R441-D447 WeakPolarHBondContact CG-O 3.35Å; R441-F448 HydrophobicContact CB-CD1 3.8Å; R441-F448 HydrophobicContact CB-CD2 4.26Å; R441-F448 HydrophobicContact CB-CE1 3.9Å; R441-F448 HydrophobicContact CB-CE2 4.35Å; R441-F448 HydrophobicContact CB-CG 3.99Å; R441-F448 HydrophobicContact CB-CZ 4.19Å
442	P	95.9	Very high	96.5	Very high	27 Å²	27	57.2 Å²	57.2	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	152.4	169.4	-21.7	33.2	0	0	0	112	T44 G444 E445	T44-P442 HydrophobicContact CG2-CB 4.48Å; P442-G444 PolarHBondContact O-N 3.34Å; P442-E445 HydrophobicContact CB-CG 4.08Å; P442-E445 HydrophobicContact CG-CG 4.25Å; P442-E445 WeakPolarHBondContact O-CB 3.39Å; P442-E445 PolarHBondContact O-N 2.94Å; P442-E445 VanDerWaalsContact O-N 3.14Å
443	Q	92.9	Very high	96.5	Very high	144 Å²	144	57.7 Å²	57.7	67%	0.673	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	130.6	174.7	-177.6	177.9	29.5	0	0	110.4	E45	E45-Q443 HydrophobicContact CB-CB 4.04Å; E45-Q443 VanDerWaalsContact O-CB 3.26Å; E45-Q443 WeakPolarHBondContact O-CB 3.37Å; E45-Q443 PolarHBondContact O-N 2.8Å
444	G	90.8	Very high	96.5	Very high	77 Å²	77	57.9 Å²	57.9	79%	0.794	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-13.8	-176.4	0	0	0	0	0	114	P442	P442-G444 PolarHBondContact O-N 3.34Å
445	E	94.2	Very high	96.4	Very high	103 Å²	103	57.9 Å²	57.9	48%	0.481	31%	0.305	S	S	.	.			trans	-87.7	141.2	173.8	-61.4	-66.9	169.5	0	0	111.5	R441 P442	R441-E445 WeakPolarHBondContact CD-O 3.4Å; R441-E445 HydrophobicContact CG-CB 4.13Å; R441-E445 PolarHBondContact NH1-O 2.97Å; P442-E445 HydrophobicContact CB-CG 4.08Å; P442-E445 HydrophobicContact CG-CG 4.25Å; P442-E445 WeakPolarHBondContact O-CB 3.39Å; P442-E445 PolarHBondContact O-N 2.94Å; P442-E445 VanDerWaalsContact O-N 3.14Å
446	E	90.3	Very high	96.3	Very high	174 Å²	174	59.3 Å²	59.3	81%	0.813	32%	0.317	S	S	*	.	S	Bend	trans	-76.3	-47.5	177.8	-65.5	-170.2	168.3	0	0	111.2	R441	R441-E446 WeakPolarHBondContact CD-O 3.25Å
447	D	95.1	Very high	96.2	Very high	126 Å²	126	58 Å²	58	67%	0.674	31%	0.311	S	S	*	.	S	Bend	trans	-103.4	151.8	-171.4	-69.8	-45.5	0	0	0	113.8	R441	R441-D447 WeakPolarHBondContact CG-O 3.35Å
448	F	96.6	Very high	96.2	Very high	55 Å²	55	57.7 Å²	57.7	24%	0.241	31%	0.31	C	S	.	.			trans	-73.8	133.6	165.9	-79.6	-95.4	0	0	0	109.5	T47 R49 R441	T47-F448 HydrophobicContact CG2-CE1 4.06Å; T47-F448 HydrophobicContact CG2-CZ 3.87Å; T47-F448 WeakPolarHBondContact O-CE1 3.45Å; R49-F448 HydrophobicContact CB-CD1 3.97Å; R49-F448 HydrophobicContact CB-CE1 3.56Å; R49-F448 HydrophobicContact CB-CZ 4.26Å; R441-F448 HydrophobicContact CB-CD1 3.8Å; R441-F448 HydrophobicContact CB-CD2 4.26Å; R441-F448 HydrophobicContact CB-CE1 3.9Å; R441-F448 HydrophobicContact CB-CE2 4.35Å; R441-F448 HydrophobicContact CB-CG 3.99Å; R441-F448 HydrophobicContact CB-CZ 4.19Å
449	Q	96.3	Very high	96.2	Very high	99 Å²	99	58.2 Å²	58.2	46%	0.463	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-114.5	152.5	175.9	59.4	-177.7	-57.7	0	0	111.5	T439 V440	T439-Q449 CarbonylContact C-O 3.27Å; T439-Q449 VanDerWaalsContact CA-O 3.26Å; T439-Q449 WeakPolarHBondContact CA-O 3.46Å; T439-Q449 WeakPolarHBondContact CB-O 3.25Å; V440-Q449 PolarHBondContact N-O 3.26Å; V440-Q449 VanDerWaalsContact O-CG 3.29Å; V440-Q449 WeakPolarHBondContact O-CG 3.43Å; V440-Q449 PolarHBondContact O-N 3.09Å
450	S	96.4	Very high	96.1	Very high	59 Å²	59	56.6 Å²	56.6	41%	0.413	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-76.5	173.6	170.7	-166.6	0	0	0	0	110.7	F296	F296-S450 VanDerWaalsContact CZ-OG 3.25Å; F296-S450 WeakPolarHBondContact CZ-OG 3.4Å
451	F	97.3	Very high	96.1	Very high	44 Å²	44	55.9 Å²	55.9	19%	0.193	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.2	164.5	164.7	-64.4	-60.7	0	0	0	111.2	F296 C435 V438 V440 L455 I487	F296-F451 HydrophobicContact CE1-CB 3.92Å; F296-F451 WeakPolarHBondContact CE1-O 3.46Å; F296-F451 HydrophobicContact CZ-CB 3.99Å; C435-F451 HydrophobicContact CB-CD2 3.93Å; C435-F451 HydrophobicContact CB-CE2 4.21Å; V438-F451 HydrophobicContact CB-CE2 3.76Å; V438-F451 HydrophobicContact CB-CZ 4.25Å; V438-F451 HydrophobicContact CG1-CE2 3.73Å; V438-F451 HydrophobicContact CG1-CZ 3.69Å; V440-F451 HydrophobicContact CG2-CE1 4.31Å; F451-L455 HydrophobicContact CB-CD1 4.12Å; F451-L455 HydrophobicContact CD2-CD1 4.4Å; F451-L455 HydrophobicContact CG-CD1 4.49Å; F451-I487 HydrophobicContact CZ-CG2 4.03Å
452	H	97.8	Very high	96	Very high	79 Å²	79	52 Å²	52	37%	0.366	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.5	172.9	-172.6	-85	0	0	0	111.1	F296 V454 P468	F296-H452 WeakPolarHBondContact CE1-O 3.28Å; H452-V454 WeakPolarHBondContact ND1-CB 3.06Å; H452-V454 PolarHBondContact ND1-N 3.37Å; H452-V454 CarbonylContact O-C 3.46Å; H452-V454 PolarHBondContact O-N 3.31Å; H452-P468 HydrophobicContact CB-CG 4.3Å
453	S	98.2	Very high	96	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	28%	0.279	C	S	.	.	S	Bend	trans	-53.9	-37.8	-178.9	-67.5	0	0	0	0	113.1	A290 M291 V295 F296 I297 L455	A290-S453 PolarHBondContact O-OG 3.28Å; M291-S453 WeakPolarHBondContact CA-OG 3.37Å; V295-S453 WeakPolarHBondContact O-CB 3.45Å; V295-S453 PolarHBondContact O-OG 2.79Å; F296-S453 CarbonylContact C-O 3.59Å; F296-S453 VanDerWaalsContact CA-O 3.28Å; F296-S453 WeakPolarHBondContact CA-O 3.27Å; I297-S453 PolarHBondContact N-O 3.25Å; S453-L455 PolarHBondContact O-N 2.89Å
454	V	98.4	Very high	96	Very high	4 Å²	4	46 Å²	46	2%	0.024	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-75.3	103.9	166.4	177.5	0	0	0	0	110.1	I287 I297 H452 A456 L466 V467 P468	I287-V454 HydrophobicContact CG2-CG2 4.01Å; I297-V454 HydrophobicContact CD1-CG2 4.1Å; I297-V454 HydrophobicContact CG1-CG2 4.19Å; H452-V454 WeakPolarHBondContact ND1-CB 3.06Å; H452-V454 PolarHBondContact ND1-N 3.37Å; H452-V454 CarbonylContact O-C 3.46Å; H452-V454 PolarHBondContact O-N 3.31Å; V454-A456 PolarHBondContact O-N 3.06Å; V454-L466 HydrophobicContact CB-CD2 4.42Å; V454-L466 HydrophobicContact CG1-CB 4.14Å; V454-L466 HydrophobicContact CG1-CD2 3.75Å; V454-L466 HydrophobicContact CG1-CG 3.58Å; V454-L466 WeakPolarHBondContact CG1-O 3.21Å; V454-L466 HydrophobicContact CG2-CD2 3.98Å; V454-L466 HydrophobicContact CG2-CG 4.4Å; V454-V467 VanDerWaalsContact CG1-C 3.47Å; V454-P468 HydrophobicContact CB-CG 4.35Å
455	L	97.4	Very high	96.1	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	22%	0.224	C	C	.	.			trans	-86.2	76.2	-172	-166.2	63.7	0	0	0	112.2	F296 I297 T432 C435 F451 S453 L457 L458	F296-L455 HydrophobicContact CD1-CB 4.45Å; F296-L455 HydrophobicContact CD1-CD1 4.38Å; F296-L455 HydrophobicContact CD2-CD2 4.48Å; F296-L455 HydrophobicContact CE1-CD1 4.33Å; F296-L455 HydrophobicContact CG-CD2 4.44Å; I297-L455 PolarHBondContact O-N 3.21Å; T432-L455 HydrophobicContact CG2-CD2 4.27Å; C435-L455 HydrophobicContact CB-CD1 3.94Å; C435-L455 HydrophobicContact CB-CD2 3.83Å; F451-L455 HydrophobicContact CB-CD1 4.12Å; F451-L455 HydrophobicContact CD2-CD1 4.4Å; F451-L455 HydrophobicContact CG-CD1 4.49Å; S453-L455 PolarHBondContact O-N 2.89Å; L455-L457 HydrophobicContact CD1-CB 4.48Å; L455-L457 HydrophobicContact CG-CB 4.43Å; L455-L457 PolarHBondContact O-N 2.69Å; L455-L458 HydrophobicContact CB-CD1 4.45Å; L455-L458 HydrophobicContact CB-CG 4.33Å; L455-L458 HydrophobicContact CD2-CD1 4.12Å; L455-L458 HydrophobicContact CD2-CD2 4.02Å; L455-L458 HydrophobicContact CD2-CG 3.91Å; L455-L458 HydrophobicContact CG-CG 4.07Å; L455-L458 WeakPolarHBondContact O-CG 3.5Å; L455-L458 PolarHBondContact O-N 3.13Å
456	A	96.6	Very high	96.1	Very high	33 Å²	33	39.2 Å²	39.2	27%	0.273	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-60.5	-14.5	-179.5	0	0	0	0	0	114.4	V454 L458 S459 V467	V454-A456 PolarHBondContact O-N 3.06Å; A456-L458 PolarHBondContact O-N 2.84Å; A456-S459 VanDerWaalsContact O-CB 3.25Å; A456-S459 WeakPolarHBondContact O-CB 3.47Å; A456-S459 PolarHBondContact O-N 3.12Å; A456-S459 VanDerWaalsContact O-N 3.07Å; A456-S459 PolarHBondContact O-OG 2.84Å; A456-V467 HydrophobicContact CB-CG1 4.3Å
457	L	96.3	Very high	96.4	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.141	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-58.8	-25.6	171.9	-91.3	66.1	0	0	0	112.7	L455 S459 I487	L455-L457 HydrophobicContact CD1-CB 4.48Å; L455-L457 HydrophobicContact CG-CB 4.43Å; L455-L457 PolarHBondContact O-N 2.69Å; L457-S459 PolarHBondContact O-N 2.94Å; L457-I487 HydrophobicContact CD1-CD1 3.58Å; L457-I487 HydrophobicContact CD2-CD1 3.63Å; L457-I487 HydrophobicContact CD2-CG2 4.26Å; L457-I487 HydrophobicContact CG-CD1 3.69Å
458	L	97.9	Very high	96.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-73.1	-5.8	178.3	-56.1	-172.4	0	0	0	113.2	I274 L428 L431 T432 L455 A456 F460 L461 C462	I274-L458 HydrophobicContact CD1-CD1 4.32Å; I274-L458 HydrophobicContact CG1-CD1 4.42Å; L428-L458 HydrophobicContact CD2-CB 3.88Å; L428-L458 HydrophobicContact CD2-CD1 3.97Å; L428-L458 HydrophobicContact CD2-CD2 4.25Å; L428-L458 HydrophobicContact CD2-CG 4.24Å; L431-L458 HydrophobicContact CB-CD2 4.04Å; L431-L458 HydrophobicContact CD2-CD2 3.8Å; L431-L458 HydrophobicContact CG-CD2 3.89Å; T432-L458 WeakPolarHBondContact OG1-CD1 3.3Å; L455-L458 HydrophobicContact CB-CD1 4.45Å; L455-L458 HydrophobicContact CB-CG 4.33Å; L455-L458 HydrophobicContact CD2-CD1 4.12Å; L455-L458 HydrophobicContact CD2-CD2 4.02Å; L455-L458 HydrophobicContact CD2-CG 3.91Å; L455-L458 HydrophobicContact CG-CG 4.07Å; L455-L458 WeakPolarHBondContact O-CG 3.5Å; L455-L458 PolarHBondContact O-N 3.13Å; A456-L458 PolarHBondContact O-N 2.84Å; L458-F460 PolarHBondContact O-N 3.05Å; L458-L461 WeakPolarHBondContact O-CB 3.46Å; L458-L461 PolarHBondContact O-N 2.93Å; L458-C462 PolarHBondContact O-N 3.28Å
459	S	97	Very high	96.3	Very high	14 Å²	14	31.1 Å²	31.1	10%	0.098	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.8	-28.6	-173.8	-59.7	0	0	0	0	114.9	K303 A456 L457 L461 C462 P465 Q480	K303-S459 PolarHBondContact NZ-O 3.04Å; A456-S459 VanDerWaalsContact O-CB 3.25Å; A456-S459 WeakPolarHBondContact O-CB 3.47Å; A456-S459 PolarHBondContact O-N 3.12Å; A456-S459 VanDerWaalsContact O-N 3.07Å; A456-S459 PolarHBondContact O-OG 2.84Å; L457-S459 PolarHBondContact O-N 2.94Å; S459-L461 PolarHBondContact O-N 3.14Å; S459-C462 PolarHBondContact O-N 3.29Å; S459-P465 VanDerWaalsContact CB-CB 3.49Å; S459-P465 WeakPolarHBondContact OG-CB 3.26Å; S459-Q480 VanDerWaalsContact CB-NE2 3.34Å; S459-Q480 PolarHBondContact O-NE2 3.41Å; S459-Q480 PolarHBondContact O-OE1 2.9Å
460	F	96.9	Very high	96	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.026	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.1	174.1	-179.5	-100.4	0	0	0	112.8	L100 L458 F477 Q480 R481 I484	L100-F460 HydrophobicContact CB-CE1 3.97Å; L100-F460 HydrophobicContact CD1-CE1 4.02Å; L100-F460 HydrophobicContact CD1-CZ 4Å; L100-F460 HydrophobicContact CD2-CD1 3.82Å; L100-F460 HydrophobicContact CD2-CE1 3.7Å; L100-F460 HydrophobicContact CD2-CZ 4.33Å; L100-F460 HydrophobicContact CG-CE1 4.1Å; L458-F460 PolarHBondContact O-N 3.05Å; F460-F477 HydrophobicContact CD2-CD2 4.18Å; F460-F477 AromaticContact CD2-CE2 3.9Å; F460-F477 HydrophobicContact CD2-CE2 3.9Å; F460-F477 HydrophobicContact CD2-CZ 4.38Å; F460-F477 HydrophobicContact CE1-CE2 4.32Å; F460-F477 HydrophobicContact CE1-CZ 4.46Å; F460-F477 HydrophobicContact CE2-CD1 4.31Å; F460-F477 AromaticContact CE2-CD2 3.69Å; F460-F477 HydrophobicContact CE2-CD2 3.69Å; F460-F477 AromaticContact CE2-CE1 3.83Å; F460-F477 HydrophobicContact CE2-CE1 3.83Å; F460-F477 AromaticContact CE2-CE2 3.09Å; F460-F477 HydrophobicContact CE2-CE2 3.09Å; F460-F477 HydrophobicContact CE2-CG 4.27Å; F460-F477 AromaticContact CE2-CZ 3.2Å; F460-F477 HydrophobicContact CE2-CZ 3.2Å; F460-F477 HydrophobicContact CZ-CD2 4.37Å; F460-F477 HydrophobicContact CZ-CE1 4.19Å; F460-F477 AromaticContact CZ-CE2 3.36Å; F460-F477 HydrophobicContact CZ-CE2 3.36Å; F460-F477 AromaticContact CZ-CZ 3.26Å; F460-F477 HydrophobicContact CZ-CZ 3.26Å; F460-Q480 HydrophobicContact CB-CB 4Å; F460-Q480 HydrophobicContact CD2-CB 4.1Å; F460-R481 HydrophobicContact CD2-CB 3.97Å; F460-R481 HydrophobicContact CE2-CB 3.72Å; F460-R481 HydrophobicContact CE2-CG 4.37Å; F460-I484 HydrophobicContact CB-CD1 3.59Å; F460-I484 HydrophobicContact CD1-CD1 4.4Å; F460-I484 HydrophobicContact CG-CD1 4.1Å
461	L	97.6	Very high	95.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-103.9	-5.7	-172.4	-61.1	169	0	0	0	112.5	K303 I424 D427 L428 L458 S459	K303-L461 PolarHBondContact N-O 3.37Å; I424-L461 HydrophobicContact CB-CD2 4.48Å; I424-L461 HydrophobicContact CG1-CD2 4.2Å; I424-L461 HydrophobicContact CG2-CB 3.98Å; I424-L461 HydrophobicContact CG2-CD2 4.13Å; D427-L461 HydrophobicContact CB-CD1 3.59Å; D427-L461 HydrophobicContact CB-CD2 3.85Å; D427-L461 HydrophobicContact CB-CG 4.4Å; L428-L461 HydrophobicContact CB-CD1 4.36Å; L428-L461 HydrophobicContact CD1-CB 4.47Å; L428-L461 HydrophobicContact CD2-CB 3.64Å; L428-L461 HydrophobicContact CD2-CD1 3.78Å; L428-L461 HydrophobicContact CD2-CG 4.35Å; L428-L461 HydrophobicContact CG-CB 3.85Å; L428-L461 HydrophobicContact CG-CD1 3.73Å; L428-L461 HydrophobicContact CG-CG 4.38Å; L458-L461 WeakPolarHBondContact O-CB 3.46Å; L458-L461 PolarHBondContact O-N 2.93Å; S459-L461 PolarHBondContact O-N 3.14Å
462	C	96.9	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-119.2	141.9	-174.9	-61.2	0	0	0	0	111.8	D301 K303 L458 S459	D301-C462 CarbonylContact O-C 3.56Å; D301-C462 VanDerWaalsContact O-CA 3.28Å; D301-C462 WeakPolarHBondContact O-CA 3.17Å; K303-C462 WeakPolarHBondContact CE-O 3.38Å; K303-C462 PolarHBondContact NZ-O 3.33Å; L458-C462 PolarHBondContact O-N 3.28Å; S459-C462 PolarHBondContact O-N 3.29Å
463	K	94.9	Very high	95.2	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.065	23%	0.229	C	C	.	.	S	Bend	trans	-77.4	-41.5	-179.4	-64.3	-166.9	-165.1	77.4	0	111.8	D300 D301 F302 K303 T307 K354 P465	D300-K463 PolarHBondContact O-N 3.24Å; D300-K463 VanDerWaalsContact O-N 3.12Å; D301-K463 HydrophobicContact CB-CB 4.21Å; D301-K463 HydrophobicContact CB-CG 4.41Å; D301-K463 WeakPolarHBondContact O-CG 3.22Å; D301-K463 PolarHBondContact O-N 3.46Å; D301-K463 IonicContact OD1-NZ 2.7Å; D301-K463 PolarHBondContact OD1-NZ 2.96Å; D301-K463 VanDerWaalsContact OD2-CD 3.26Å; D301-K463 WeakPolarHBondContact OD2-CD 3.33Å; D301-K463 IonicContact OD2-NZ 3.68Å; D301-K463 PolarHBondContact OD2-NZ 3.14Å; F302-K463 WeakPolarHBondContact O-CE 3.32Å; F302-K463 WeakPolarHBondContact O-CG 3.33Å; F302-K463 PolarHBondContact O-NZ 3.49Å; K303-K463 HydrophobicContact CB-CG 4.14Å; T307-K463 HydrophobicContact CG2-CB 4.12Å; T307-K463 HydrophobicContact CG2-CD 3.81Å; T307-K463 HydrophobicContact CG2-CG 3.79Å; T307-K463 WeakPolarHBondContact OG1-CD 3.15Å; T307-K463 WeakPolarHBondContact OG1-CE 3.08Å; K354-K463 HydrophobicContact CG-CD 4.23Å; K463-P465 WeakPolarHBondContact O-CD 3.09Å
464	A	93.1	Very high	95	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	24%	0.236	C	C	.	.	S	Bend	trans	-120.6	78.6	179.6	0	0	0	0	0	108	D300 L466	D300-A464 PolarHBondContact N-O 3.21Å; D300-A464 PolarHBondContact O-N 3.29Å; D300-A464 VanDerWaalsContact O-N 3.08Å; A464-L466 PolarHBondContact O-N 3.31Å
465	P	93.4	Very high	94.8	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.065	24%	0.237	C	C	.	.			trans	-65	130.2	-170.4	27	-34.6	0	0	0	112	G299 S459 K463 V473	G299-P465 CarbonylContact O-C 3.44Å; G299-P465 WeakPolarHBondContact O-CA 3.35Å; S459-P465 VanDerWaalsContact CB-CB 3.49Å; S459-P465 WeakPolarHBondContact OG-CB 3.26Å; K463-P465 WeakPolarHBondContact O-CD 3.09Å; P465-V473 HydrophobicContact CG-CG1 3.84Å
466	L	94.4	Very high	94.7	Very high	29 Å²	29	34.1 Å²	34.1	15%	0.152	24%	0.236	C	C	.	.			trans	-71.3	127.8	168.2	-172.1	73	0	0	0	108.7	F282 I287 I297 G299 V454 A464	F282-L466 HydrophobicContact CB-CD1 4.32Å; F282-L466 HydrophobicContact CB-CD2 4.04Å; F282-L466 HydrophobicContact CD2-CD2 3.63Å; F282-L466 HydrophobicContact CE2-CD2 4.15Å; F282-L466 HydrophobicContact CG-CD2 3.82Å; I287-L466 HydrophobicContact CD1-CD1 4.25Å; I297-L466 HydrophobicContact CD1-CD2 3.96Å; I297-L466 HydrophobicContact CG1-CD2 4.25Å; G299-L466 PolarHBondContact O-N 2.77Å; V454-L466 HydrophobicContact CB-CD2 4.42Å; V454-L466 HydrophobicContact CG1-CB 4.14Å; V454-L466 HydrophobicContact CG1-CD2 3.75Å; V454-L466 HydrophobicContact CG1-CG 3.58Å; V454-L466 WeakPolarHBondContact CG1-O 3.21Å; V454-L466 HydrophobicContact CG2-CD2 3.98Å; V454-L466 HydrophobicContact CG2-CG 4.4Å; A464-L466 PolarHBondContact O-N 3.31Å
467	V	96	Very high	94.6	Very high	32 Å²	32	33.6 Å²	33.6	19%	0.194	23%	0.227	C	C	.	.			trans	-126.2	153.2	-179.2	-60.6	0	0	0	0	110.8	V454 A456 T471 V473	V454-V467 VanDerWaalsContact CG1-C 3.47Å; A456-V467 HydrophobicContact CB-CG1 4.3Å; V467-T471 WeakPolarHBondContact CB-OG1 3.43Å; V467-V473 HydrophobicContact CG1-CG2 4.25Å; V467-V473 HydrophobicContact CG2-CG2 3.79Å
468	P	95.8	Very high	94.5	Very high	24 Å²	24	37.5 Å²	37.5	16%	0.156	24%	0.243	C	C	.	.			trans	-54	146	173.7	-24.6	32.8	0	0	0	112	H452 V454 G470 T471	H452-P468 HydrophobicContact CB-CG 4.3Å; V454-P468 HydrophobicContact CB-CG 4.35Å; P468-G470 PolarHBondContact O-N 3.11Å; P468-T471 HydrophobicContact CB-CG2 3.97Å; P468-T471 WeakPolarHBondContact CD-OG1 3.5Å; P468-T471 WeakPolarHBondContact O-CB 3.5Å; P468-T471 PolarHBondContact O-N 3.47Å; P468-T471 VanDerWaalsContact O-N 3.07Å; P468-T471 PolarHBondContact O-OG1 2.76Å
469	S	92.4	Very high	94.4	Very high	128 Å²	128	44 Å²	44	90%	0.895	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	134.2	-178.6	-171.2	0	0	0	0	111.5	T471	S469-T471 VanDerWaalsContact C-N 3.29Å; S469-T471 PolarHBondContact O-N 3.18Å
470	G	90.4	Very high	94.4	Very high	85 Å²	85	43.8 Å²	43.8	88%	0.876	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	4.3	-179	0	0	0	0	0	115.5	P468	P468-G470 PolarHBondContact O-N 3.11Å
471	T	91.1	Very high	94.4	Very high	63 Å²	63	46.6 Å²	46.6	39%	0.387	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-100.1	149.2	176.2	67.8	0	0	0	0	112.1	V467 P468 S469	V467-T471 WeakPolarHBondContact CB-OG1 3.43Å; P468-T471 HydrophobicContact CB-CG2 3.97Å; P468-T471 WeakPolarHBondContact CD-OG1 3.5Å; P468-T471 WeakPolarHBondContact O-CB 3.5Å; P468-T471 PolarHBondContact O-N 3.47Å; P468-T471 VanDerWaalsContact O-N 3.07Å; P468-T471 PolarHBondContact O-OG1 2.76Å; S469-T471 VanDerWaalsContact C-N 3.29Å; S469-T471 PolarHBondContact O-N 3.18Å
472	P	91.6	Very high	94.4	Very high	108 Å²	108	48.2 Å²	48.2	70%	0.701	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-73.7	143.5	-179.2	29.6	-34.8	0	0	0	112
473	V	93.3	Very high	94.5	Very high	62 Å²	62	50.8 Å²	50.8	38%	0.376	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-78.2	131.1	168.4	174.3	0	0	0	0	109.2	P465 V467	P465-V473 HydrophobicContact CG-CG1 3.84Å; V467-V473 HydrophobicContact CG1-CG2 4.25Å; V467-V473 HydrophobicContact CG2-CG2 3.79Å
474	V	94.1	Very high	94.6	Very high	40 Å²	40	50.2 Å²	50.2	24%	0.242	30%	0.304	C	S	.	.			trans	-117.6	118.5	173.3	179	0	0	0	0	107.9	R479 Q480	V474-R479 HydrophobicContact CG1-CB 4Å; V474-Q480 HydrophobicContact CG1-CG 4.46Å; V474-Q480 PolarHBondContact O-NE2 3.41Å
475	N	94.2	Very high	94.8	Very high	6 Å²	6	50 Å²	50	3%	0.032	30%	0.299	C	S	.	.			trans	-104.5	-19.2	178.8	-64.4	-64.4	0	0	0	113.7	S311 N356 V357 D360 F477	S311-N475 WeakPolarHBondContact CB-O 3.39Å; N356-N475 PolarHBondContact O-ND2 2.6Å; V357-N475 HydrophobicContact CG2-CB 3.85Å; V357-N475 VanDerWaalsContact O-CB 3.24Å; V357-N475 WeakPolarHBondContact O-CB 3.34Å; D360-N475 VanDerWaalsContact OD1-CB 3.28Å; D360-N475 WeakPolarHBondContact OD1-CB 3.08Å; D360-N475 PolarHBondContact OD1-ND2 3.19Å; D360-N475 PolarHBondContact OD2-N 3.09Å; N475-F477 PolarHBondContact O-N 3.45Å
476	A	94.3	Very high	95	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	31%	0.307	C	S	.	.			trans	-54.6	120.4	-179.7	0	0	0	0	0	112.1	D315 M361 F478 R479 Q480	D315-A476 HydrophobicContact CB-CB 4.38Å; M361-A476 HydrophobicContact CG-CB 4.45Å; M361-A476 HydrophobicContact SD-CB 3.86Å; A476-F478 PolarHBondContact O-N 3.42Å; A476-R479 HydrophobicContact CB-CB 4.14Å; A476-R479 HydrophobicContact CB-CG 4.03Å; A476-R479 PolarHBondContact O-N 3.33Å; A476-Q480 WeakPolarHBondContact O-CG 3.16Å; A476-Q480 PolarHBondContact O-N 3.17Å; A476-Q480 VanDerWaalsContact O-N 3.09Å
477	F	94.4	Very high	95.2	Very high	21 Å²	21	52.2 Å²	52.2	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-48	-166.9	-178.9	-101.9	0	0	0	113.5	K308 V312 F460 N475 Q480 R481	K308-F477 HydrophobicContact CD-CE2 4.11Å; K308-F477 HydrophobicContact CG-CD2 4.04Å; K308-F477 HydrophobicContact CG-CE2 3.66Å; K308-F477 HydrophobicContact CG-CZ 4.42Å; V312-F477 HydrophobicContact CG2-CB 3.63Å; V312-F477 HydrophobicContact CG2-CD1 3.61Å; V312-F477 HydrophobicContact CG2-CD2 4.39Å; V312-F477 HydrophobicContact CG2-CE1 4.35Å; V312-F477 HydrophobicContact CG2-CG 3.61Å; F460-F477 HydrophobicContact CD2-CD2 4.18Å; F460-F477 AromaticContact CD2-CE2 3.9Å; F460-F477 HydrophobicContact CD2-CE2 3.9Å; F460-F477 HydrophobicContact CD2-CZ 4.38Å; F460-F477 HydrophobicContact CE1-CE2 4.32Å; F460-F477 HydrophobicContact CE1-CZ 4.46Å; F460-F477 HydrophobicContact CE2-CD1 4.31Å; F460-F477 AromaticContact CE2-CD2 3.69Å; F460-F477 HydrophobicContact CE2-CD2 3.69Å; F460-F477 AromaticContact CE2-CE1 3.83Å; F460-F477 HydrophobicContact CE2-CE1 3.83Å; F460-F477 AromaticContact CE2-CE2 3.09Å; F460-F477 HydrophobicContact CE2-CE2 3.09Å; F460-F477 HydrophobicContact CE2-CG 4.27Å; F460-F477 AromaticContact CE2-CZ 3.2Å; F460-F477 HydrophobicContact CE2-CZ 3.2Å; F460-F477 HydrophobicContact CZ-CD2 4.37Å; F460-F477 HydrophobicContact CZ-CE1 4.19Å; F460-F477 AromaticContact CZ-CE2 3.36Å; F460-F477 HydrophobicContact CZ-CE2 3.36Å; F460-F477 AromaticContact CZ-CZ 3.26Å; F460-F477 HydrophobicContact CZ-CZ 3.26Å; N475-F477 PolarHBondContact O-N 3.45Å; F477-Q480 PolarHBondContact O-N 3.43Å; F477-R481 PolarHBondContact O-N 2.97Å
478	F	95.4	Very high	95.3	Very high	109 Å²	109	50.9 Å²	50.9	48%	0.478	30%	0.301	S	S	.	.	H	α-helix	trans	-74.2	-29.2	-176.7	-69.2	-69.7	0	0	0	112.7	V312 A476 R481 A482	V312-F478 HydrophobicContact CG1-CE2 4.08Å; V312-F478 HydrophobicContact CG2-CE2 4.44Å; A476-F478 PolarHBondContact O-N 3.42Å; F478-R481 PolarHBondContact O-N 3.45Å; F478-A482 VanDerWaalsContact O-CB 3.28Å; F478-A482 WeakPolarHBondContact O-CB 3.37Å; F478-A482 PolarHBondContact O-N 2.8Å
479	R	95.6	Very high	95.4	Very high	139 Å²	139	50 Å²	50	53%	0.525	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-42.7	172	-66.1	-178.4	62	-164.5	-0.1	111.2	V474 A476 A482 C483	V474-R479 HydrophobicContact CG1-CB 4Å; A476-R479 HydrophobicContact CB-CB 4.14Å; A476-R479 HydrophobicContact CB-CG 4.03Å; A476-R479 PolarHBondContact O-N 3.33Å; R479-A482 PolarHBondContact O-N 3.13Å; R479-C483 PolarHBondContact O-N 3.21Å
480	Q	96.9	Very high	95.6	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.4	-66.3	178.8	-29.6	0	0	111.9	S459 F460 V474 A476 F477 C483 I484	S459-Q480 VanDerWaalsContact CB-NE2 3.34Å; S459-Q480 PolarHBondContact O-NE2 3.41Å; S459-Q480 PolarHBondContact O-OE1 2.9Å; F460-Q480 HydrophobicContact CB-CB 4Å; F460-Q480 HydrophobicContact CD2-CB 4.1Å; V474-Q480 HydrophobicContact CG1-CG 4.46Å; V474-Q480 PolarHBondContact O-NE2 3.41Å; A476-Q480 WeakPolarHBondContact O-CG 3.16Å; A476-Q480 PolarHBondContact O-N 3.17Å; A476-Q480 VanDerWaalsContact O-N 3.09Å; F477-Q480 PolarHBondContact O-N 3.43Å; Q480-C483 WeakPolarHBondContact O-CB 3.25Å; Q480-C483 PolarHBondContact O-N 3.45Å; Q480-I484 PolarHBondContact O-N 3.28Å
481	R	97.3	Very high	96	Very high	64 Å²	64	40.1 Å²	40.1	24%	0.242	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-47.8	174.4	-178.1	178	173.5	169.4	-0.1	111.8	L100 T105 F460 F477 F478 C483 I484 E485	L100-R481 HydrophobicContact CD1-CG 4.48Å; T105-R481 PolarHBondContact O-NH2 3.3Å; F460-R481 HydrophobicContact CD2-CB 3.97Å; F460-R481 HydrophobicContact CE2-CB 3.72Å; F460-R481 HydrophobicContact CE2-CG 4.37Å; F477-R481 PolarHBondContact O-N 2.97Å; F478-R481 PolarHBondContact O-N 3.45Å; R481-C483 PolarHBondContact O-N 3.5Å; R481-I484 PolarHBondContact O-N 3.25Å; R481-E485 PolarHBondContact O-N 2.92Å
482	A	97.5	Very high	96.3	Very high	36 Å²	36	37.2 Å²	37.2	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-34.3	179.9	0	0	0	0	0	111.8	F478 R479 E485 N486	F478-A482 VanDerWaalsContact O-CB 3.28Å; F478-A482 WeakPolarHBondContact O-CB 3.37Å; F478-A482 PolarHBondContact O-N 2.8Å; R479-A482 PolarHBondContact O-N 3.13Å; A482-E485 PolarHBondContact O-N 2.84Å; A482-N486 WeakPolarHBondContact O-CB 3.48Å; A482-N486 PolarHBondContact O-N 3.33Å; A482-N486 PolarHBondContact O-ND2 3.24Å; A482-N486 VanDerWaalsContact O-ND2 3.1Å
483	C	97.4	Very high	96.5	Very high	56 Å²	56	32.8 Å²	32.8	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-58.2	-52.2	173.5	-177.1	0	0	0	0	111.9	R479 Q480 R481 E485 N486 I487	R479-C483 PolarHBondContact O-N 3.21Å; Q480-C483 WeakPolarHBondContact O-CB 3.25Å; Q480-C483 PolarHBondContact O-N 3.45Å; R481-C483 PolarHBondContact O-N 3.5Å; C483-E485 PolarHBondContact O-N 2.72Å; C483-N486 PolarHBondContact O-N 2.65Å; C483-I487 WeakPolarHBondContact O-CG1 3.32Å; C483-I487 PolarHBondContact O-N 2.85Å
484	I	98.1	Very high	96.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-49.2	178.5	-62	170.9	0	0	0	110.2	L100 F120 L431 F460 Q480 R481 N486 I487 M488	L100-I484 HydrophobicContact CD2-CD1 4.11Å; F120-I484 HydrophobicContact CE1-CG2 3.8Å; F120-I484 HydrophobicContact CZ-CB 4.46Å; F120-I484 HydrophobicContact CZ-CG2 3.84Å; L431-I484 HydrophobicContact CD1-CG2 4.27Å; L431-I484 HydrophobicContact CD2-CD1 3.82Å; L431-I484 HydrophobicContact CD2-CG1 4.16Å; L431-I484 HydrophobicContact CD2-CG2 4.36Å; F460-I484 HydrophobicContact CB-CD1 3.59Å; F460-I484 HydrophobicContact CD1-CD1 4.4Å; F460-I484 HydrophobicContact CG-CD1 4.1Å; Q480-I484 PolarHBondContact O-N 3.28Å; R481-I484 PolarHBondContact O-N 3.25Å; I484-N486 PolarHBondContact O-N 3.09Å; I484-I487 PolarHBondContact O-N 3.27Å; I484-M488 HydrophobicContact CG2-SD 4.39Å; I484-M488 WeakPolarHBondContact O-CG 3.4Å; I484-M488 PolarHBondContact O-N 2.84Å; I484-M488 VanDerWaalsContact O-N 3.14Å
485	E	97.9	Very high	96.7	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-50.3	179.1	-178	-180	149.9	0	0	111.5	V106 F120 R481 A482 C483 I487 M488 R489	V106-E485 HydrophobicContact CG1-CG 3.71Å; V106-E485 WeakPolarHBondContact CG1-OE1 3.41Å; V106-E485 HydrophobicContact CG2-CG 4.05Å; F120-E485 HydrophobicContact CE2-CB 4.48Å; F120-E485 HydrophobicContact CZ-CB 4.17Å; R481-E485 PolarHBondContact O-N 2.92Å; A482-E485 PolarHBondContact O-N 2.84Å; C483-E485 PolarHBondContact O-N 2.72Å; E485-I487 VanDerWaalsContact C-N 3.34Å; E485-I487 PolarHBondContact O-N 3.07Å; E485-M488 PolarHBondContact O-N 3.15Å; E485-R489 HydrophobicContact CG-CG 4.34Å; E485-R489 VanDerWaalsContact O-CG 3.24Å; E485-R489 WeakPolarHBondContact O-CG 3.32Å; E485-R489 PolarHBondContact O-N 3.18Å
486	N	97.8	Very high	96.7	Very high	46 Å²	46	35.6 Å²	35.6	25%	0.246	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-33.1	-175.5	-70.6	-26.1	0	0	0	112.7	A482 C483 I484 R489 A490 P496	A482-N486 WeakPolarHBondContact O-CB 3.48Å; A482-N486 PolarHBondContact O-N 3.33Å; A482-N486 PolarHBondContact O-ND2 3.24Å; A482-N486 VanDerWaalsContact O-ND2 3.1Å; C483-N486 PolarHBondContact O-N 2.65Å; I484-N486 PolarHBondContact O-N 3.09Å; N486-R489 PolarHBondContact O-N 2.7Å; N486-A490 WeakPolarHBondContact O-CB 3.45Å; N486-A490 PolarHBondContact O-N 3.44Å; N486-P496 HydrophobicContact CB-CG 4.49Å; N486-P496 WeakPolarHBondContact OD1-CA 3.44Å; N486-P496 WeakPolarHBondContact OD1-CB 3.21Å
487	I	97.7	Very high	96.6	Very high	38 Å²	38	38 Å²	38	20%	0.195	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-43.6	173.5	-71	172.7	0	0	0	110.7	F451 L457 C483 I484 E485 R489 A490 C491	F451-I487 HydrophobicContact CZ-CG2 4.03Å; L457-I487 HydrophobicContact CD1-CD1 3.58Å; L457-I487 HydrophobicContact CD2-CD1 3.63Å; L457-I487 HydrophobicContact CD2-CG2 4.26Å; L457-I487 HydrophobicContact CG-CD1 3.69Å; C483-I487 WeakPolarHBondContact O-CG1 3.32Å; C483-I487 PolarHBondContact O-N 2.85Å; I484-I487 PolarHBondContact O-N 3.27Å; E485-I487 VanDerWaalsContact C-N 3.34Å; E485-I487 PolarHBondContact O-N 3.07Å; I487-R489 VanDerWaalsContact C-N 3.3Å; I487-R489 PolarHBondContact O-N 3.21Å; I487-A490 PolarHBondContact O-N 3.11Å; I487-C491 PolarHBondContact O-N 3.33Å; I487-C491 PolarHBondContact O-SG 3.16Å
488	M	97.8	Very high	96.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-35.8	176.1	-67.2	-174.5	75.9	0	0	112	F120 L123 L124 M126 L434 I484 E485 C491 L492	F120-M488 HydrophobicContact CD1-SD 3.95Å; F120-M488 HydrophobicContact CE1-SD 3.46Å; F120-M488 WeakPolarHBondContact CE1-SD 3.46Å; L123-M488 HydrophobicContact CB-CE 3.75Å; L123-M488 HydrophobicContact CD1-CB 4.07Å; L123-M488 HydrophobicContact CD1-CE 4.38Å; L123-M488 HydrophobicContact CD1-SD 4.38Å; L124-M488 HydrophobicContact CB-CE 3.89Å; L124-M488 HydrophobicContact CD1-CB 4.04Å; L124-M488 HydrophobicContact CD1-CE 3.85Å; L124-M488 HydrophobicContact CD1-CG 3.96Å; L124-M488 HydrophobicContact CG-CE 3.95Å; M126-M488 HydrophobicContact CE-CE 3.44Å; M126-M488 VanDerWaalsContact CE-CE 3.44Å; M126-M488 HydrophobicContact CE-SD 4.47Å; L434-M488 HydrophobicContact CD2-CE 3.84Å; L434-M488 HydrophobicContact CD2-CG 4.37Å; L434-M488 HydrophobicContact CD2-SD 4.2Å; I484-M488 HydrophobicContact CG2-SD 4.39Å; I484-M488 WeakPolarHBondContact O-CG 3.4Å; I484-M488 PolarHBondContact O-N 2.84Å; I484-M488 VanDerWaalsContact O-N 3.14Å; E485-M488 PolarHBondContact O-N 3.15Å; M488-C491 WeakPolarHBondContact O-CB 3.22Å; M488-C491 PolarHBondContact O-N 3.48Å; M488-L492 PolarHBondContact O-N 3.27Å
489	R	97.6	Very high	96.3	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-41.8	172.2	-69.6	176.1	73.5	82.4	4.8	112	C107 E485 N486 I487 C491 L492 G493 L494 P495	C107-R489 PolarHBondContact O-NH1 3.33Å; E485-R489 HydrophobicContact CG-CG 4.34Å; E485-R489 VanDerWaalsContact O-CG 3.24Å; E485-R489 WeakPolarHBondContact O-CG 3.32Å; E485-R489 PolarHBondContact O-N 3.18Å; N486-R489 PolarHBondContact O-N 2.7Å; I487-R489 VanDerWaalsContact C-N 3.3Å; I487-R489 PolarHBondContact O-N 3.21Å; R489-C491 VanDerWaalsContact C-N 3.3Å; R489-C491 PolarHBondContact O-N 3.08Å; R489-L492 CarbonylContact O-C 3.55Å; R489-L492 WeakPolarHBondContact O-CA 3.4Å; R489-L492 WeakPolarHBondContact O-CB 3.3Å; R489-L492 PolarHBondContact O-N 3.42Å; R489-G493 PolarHBondContact O-N 3.16Å; R489-G493 VanDerWaalsContact O-N 3.15Å; R489-L494 CarbonylContact C-O 3.56Å; R489-L494 HydrophobicContact CB-CB 4.05Å; R489-L494 PolarHBondContact O-N 3.41Å; R489-P495 PolarHBondContact NE-O 2.95Å; R489-P495 PolarHBondContact NH2-O 3.17Å
490	A	97.8	Very high	96.1	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-37.9	175.3	0	0	0	0	0	112.1	A21 Y23 F48 N486 I487 L492 G493	A21-A490 WeakPolarHBondContact CB-O 3.28Å; Y23-A490 HydrophobicContact CD1-CB 4Å; Y23-A490 HydrophobicContact CD2-CB 3.74Å; Y23-A490 HydrophobicContact CE1-CB 4.04Å; Y23-A490 HydrophobicContact CE2-CB 3.79Å; Y23-A490 HydrophobicContact CG-CB 3.84Å; F48-A490 HydrophobicContact CD2-CB 4.36Å; F48-A490 HydrophobicContact CE1-CB 4.34Å; F48-A490 HydrophobicContact CE2-CB 3.97Å; F48-A490 HydrophobicContact CZ-CB 3.97Å; N486-A490 WeakPolarHBondContact O-CB 3.45Å; N486-A490 PolarHBondContact O-N 3.44Å; I487-A490 PolarHBondContact O-N 3.11Å; A490-L492 PolarHBondContact O-N 3.38Å; A490-L492 VanDerWaalsContact O-N 3.13Å; A490-G493 PolarHBondContact O-N 3.15Å
491	C	97.8	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.6	172.2	-63.5	0	0	0	0	113.6	A21 L124 I487 M488 R489	A21-C491 WeakPolarHBondContact CB-O 3.39Å; L124-C491 HydrophobicContact CD1-CB 3.82Å; L124-C491 HydrophobicContact CD2-CB 3.97Å; I487-C491 PolarHBondContact O-N 3.33Å; I487-C491 PolarHBondContact O-SG 3.16Å; M488-C491 WeakPolarHBondContact O-CB 3.22Å; M488-C491 PolarHBondContact O-N 3.48Å; R489-C491 VanDerWaalsContact C-N 3.3Å; R489-C491 PolarHBondContact O-N 3.08Å
492	L	97	Very high	95.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.3	174.8	-65.4	174.6	0	0	0	112.8	V7 V12 L123 L124 M488 R489 A490 L494	V7-L492 HydrophobicContact CG2-CB 4.09Å; V12-L492 WeakPolarHBondContact CG2-O 3.5Å; L123-L492 HydrophobicContact CB-CD1 4.45Å; L123-L492 HydrophobicContact CD2-CD1 4.14Å; L123-L492 WeakPolarHBondContact O-CD1 3.5Å; L124-L492 HydrophobicContact CD2-CD2 3.79Å; L124-L492 HydrophobicContact CD2-CG 3.96Å; M488-L492 PolarHBondContact O-N 3.27Å; R489-L492 CarbonylContact O-C 3.55Å; R489-L492 WeakPolarHBondContact O-CA 3.4Å; R489-L492 WeakPolarHBondContact O-CB 3.3Å; R489-L492 PolarHBondContact O-N 3.42Å; A490-L492 PolarHBondContact O-N 3.38Å; A490-L492 VanDerWaalsContact O-N 3.13Å; L492-L494 HydrophobicContact CB-CD1 4.17Å; L492-L494 HydrophobicContact CB-CG 4.13Å; L492-L494 HydrophobicContact CD1-CD1 4.28Å; L492-L494 PolarHBondContact O-N 3.35Å
493	G	96.3	Very high	94.7	Very high	16 Å²	16	44 Å²	44	17%	0.165	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	18.3	-177.1	0	0	0	0	0	114.3	R489 A490	R489-G493 PolarHBondContact O-N 3.16Å; R489-G493 VanDerWaalsContact O-N 3.15Å; A490-G493 PolarHBondContact O-N 3.15Å
494	L	96.2	Very high	94	Very high	35 Å²	35	46.2 Å²	46.2	18%	0.183	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-94	137.6	179.4	-64.1	175.9	0	0	0	110.6	V7 L108 R489 L492	V7-L494 HydrophobicContact CG1-CD2 3.91Å; V7-L494 HydrophobicContact CG1-CG 4.46Å; V7-L494 HydrophobicContact CG2-CD1 4.1Å; V7-L494 HydrophobicContact CG2-CD2 4.23Å; V7-L494 HydrophobicContact CG2-CG 4.17Å; L108-L494 HydrophobicContact CD2-CD1 4.4Å; R489-L494 CarbonylContact C-O 3.56Å; R489-L494 HydrophobicContact CB-CB 4.05Å; R489-L494 PolarHBondContact O-N 3.41Å; L492-L494 HydrophobicContact CB-CD1 4.17Å; L492-L494 HydrophobicContact CB-CG 4.13Å; L492-L494 HydrophobicContact CD1-CD1 4.28Å; L492-L494 PolarHBondContact O-N 3.35Å
495	P	95.4	Very high	93.5	Very high	82 Å²	82	52.7 Å²	52.7	53%	0.532	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-70.8	160	175.6	30.9	-35.5	0	0	0	111.5	R489	R489-P495 PolarHBondContact NE-O 2.95Å; R489-P495 PolarHBondContact NH2-O 3.17Å
496	P	95.4	Very high	93	Very high	50 Å²	50	55.6 Å²	55.6	33%	0.325	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-55.5	151	168.5	-25.8	36.4	0	0	0	112.4	Y23 N486 N498	Y23-P496 WeakPolarHBondContact OH-CD 3.47Å; N486-P496 HydrophobicContact CB-CG 4.49Å; N486-P496 WeakPolarHBondContact OD1-CA 3.44Å; N486-P496 WeakPolarHBondContact OD1-CB 3.21Å; P496-N498 PolarHBondContact O-N 2.89Å
497	Q	92.3	Very high	92.4	Very high	51 Å²	51	63 Å²	63	24%	0.238	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-69.9	122.1	172.7	-71.4	-65.2	-8.2	0	0	110.4	C107	C107-Q497 PolarHBondContact O-NE2 3.01Å
498	N	91.6	Very high	91.8	Very high	93 Å²	93	71.6 Å²	71.6	50%	0.497	35%	0.35	S	S	.	.			trans	-98.1	-15.5	-175.8	64	58.5	0	0	0	114.1	P496 M500	P496-N498 PolarHBondContact O-N 2.89Å; N498-M500 HydrophobicContact CB-CE 4.07Å; N498-M500 HydrophobicContact CB-CG 4.13Å; N498-M500 PolarHBondContact O-N 2.92Å; N498-M500 VanDerWaalsContact OD1-CB 3.3Å; N498-M500 WeakPolarHBondContact OD1-CB 3.43Å; N498-M500 WeakPolarHBondContact OD1-CG 3.43Å; N498-M500 PolarHBondContact OD1-N 2.8Å
499	H	91.3	Very high	90.8	Very high	134 Å²	134	76.9 Å²	76.9	62%	0.62	38%	0.378	S	S	*	.			trans	53.8	16.4	-178.5	-52.8	-70.1	0	0	0	115.6
500	M	91.4	Very high	90	Very high	97 Å²	97	81.8 Å²	81.8	48%	0.478	40%	0.4	S	S	.	.			trans	-72.2	-36.7	-177.8	-63.7	-169.9	-72.4	0	0	111.6	N498 L502 K505	N498-M500 HydrophobicContact CB-CE 4.07Å; N498-M500 HydrophobicContact CB-CG 4.13Å; N498-M500 PolarHBondContact O-N 2.92Å; N498-M500 VanDerWaalsContact OD1-CB 3.3Å; N498-M500 WeakPolarHBondContact OD1-CB 3.43Å; N498-M500 WeakPolarHBondContact OD1-CG 3.43Å; N498-M500 PolarHBondContact OD1-N 2.8Å; M500-L502 HydrophobicContact CB-CD2 4.29Å; M500-L502 HydrophobicContact CB-CG 3.89Å; M500-L502 HydrophobicContact CE-CD1 4.39Å; M500-L502 PolarHBondContact O-N 2.86Å; M500-L502 HydrophobicContact SD-CD1 4.31Å; M500-K505 VanDerWaalsContact O-CD 3.27Å; M500-K505 WeakPolarHBondContact O-CD 3.36Å; M500-K505 WeakPolarHBondContact O-CE 3.22Å; M500-K505 PolarHBondContact O-NZ 3.44Å
501	L	88.5	Confident	88.9	Confident	65 Å²	65	86.1 Å²	86.1	34%	0.34	42%	0.422	S	S	.	.			trans	50	41.4	178.9	-58.9	175.3	0	0	0	112.6	E503 H504 K505	L501-E503 VanDerWaalsContact C-OE2 3.25Å; L501-E503 PolarHBondContact O-N 2.91Å; L501-H504 PolarHBondContact O-N 3.47Å; L501-K505 PolarHBondContact O-N 2.88Å
502	L	88.8	Confident	87.1	Confident	69 Å²	69	92.2 Å²	92.2	36%	0.361	46%	0.459	S	S	.	.	H	α-helix	trans	-62.7	-28.9	-173	-66.8	-179.8	0	0	0	112.4	M500 H504 K505 L506 F510	M500-L502 HydrophobicContact CB-CD2 4.29Å; M500-L502 HydrophobicContact CB-CG 3.89Å; M500-L502 HydrophobicContact CE-CD1 4.39Å; M500-L502 PolarHBondContact O-N 2.86Å; M500-L502 HydrophobicContact SD-CD1 4.31Å; L502-H504 PolarHBondContact O-N 3.21Å; L502-H504 VanDerWaalsContact O-N 3.16Å; L502-K505 PolarHBondContact O-N 2.84Å; L502-L506 HydrophobicContact CB-CD1 4.2Å; L502-L506 HydrophobicContact CB-CG 4.37Å; L502-L506 WeakPolarHBondContact O-CB 3.38Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.98Å; L502-F510 HydrophobicContact CB-CE1 4.09Å; L502-F510 HydrophobicContact CB-CZ 3.88Å
503	E	84.1	Confident	85.1	Confident	48 Å²	48	96.2 Å²	96.2	22%	0.224	49%	0.493	C	S	.	.	H	α-helix	trans	-59.6	-21.2	173.4	65.1	-82.4	-169.9	0	0	113.9	L501 F510 L511 K527	L501-E503 VanDerWaalsContact C-OE2 3.25Å; L501-E503 PolarHBondContact O-N 2.91Å; E503-F510 HydrophobicContact CB-CE1 4.26Å; E503-F510 HydrophobicContact CB-CZ 4.09Å; E503-L511 HydrophobicContact CB-CD1 3.44Å; E503-L511 VanDerWaalsContact CB-CD1 3.44Å; E503-L511 HydrophobicContact CB-CG 4.11Å; E503-L511 HydrophobicContact CG-CD1 3.88Å; E503-K527 PolarHBondContact O-NZ 2.88Å
504	H	84.4	Confident	82.9	Confident	101 Å²	101	102 Å²	102	47%	0.468	52%	0.515	S	S	.	.	H	α-helix	trans	-102.8	-18.1	174	-60.1	-65.1	0	0	0	113.2	L501 L502	L501-H504 PolarHBondContact O-N 3.47Å; L502-H504 PolarHBondContact O-N 3.21Å; L502-H504 VanDerWaalsContact O-N 3.16Å
505	K	86.7	Confident	80.3	Confident	139 Å²	139	104.2 Å²	104.2	60%	0.604	53%	0.534	S	S	*	.	H	α-helix	trans	-100.5	-12.8	-177.6	-62.8	177.5	-172.8	166.3	0	114	M500 L501 L502	M500-K505 VanDerWaalsContact O-CD 3.27Å; M500-K505 WeakPolarHBondContact O-CD 3.36Å; M500-K505 WeakPolarHBondContact O-CE 3.22Å; M500-K505 PolarHBondContact O-NZ 3.44Å; L501-K505 PolarHBondContact O-N 2.88Å; L502-K505 PolarHBondContact O-N 2.84Å
506	L	86.4	Confident	77.8	Confident	86 Å²	86	102.6 Å²	102.6	45%	0.45	52%	0.522	S	S	.	.	S	Bend	trans	-103.5	142.2	177.4	-61.1	-178	0	0	0	111.6	L502 F510	L502-L506 HydrophobicContact CB-CD1 4.2Å; L502-L506 HydrophobicContact CB-CG 4.37Å; L502-L506 WeakPolarHBondContact O-CB 3.38Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.98Å; L506-F510 HydrophobicContact CB-CE1 4.47Å; L506-F510 HydrophobicContact CD1-CD1 3.95Å; L506-F510 HydrophobicContact CD1-CE1 3.77Å; L506-F510 HydrophobicContact CG-CE1 4.48Å
507	Q	86	Confident	75.1	Confident	202 Å²	202	109.5 Å²	109.5	94%	0.944	54%	0.543	S	S	*	.	S	Bend	trans	-69.5	-35.4	-179.4	-68.6	179.9	-8.6	0	0	112.8
508	R	84.5	Confident	72.6	Confident	219 Å²	219	112.3 Å²	112.3	83%	0.826	56%	0.559	S	S	*	*	S	Bend	trans	-92.9	127.7	178.6	-64.7	-177.6	-178.2	175.9	0.5	109.2	F510	R508-F510 PolarHBondContact O-N 2.9Å
509	N	77.1	Confident	70	Confident	115 Å²	115	115.1 Å²	115.1	62%	0.615	57%	0.574	S	S	*	*			trans	-67.9	121.5	168.9	-72.8	-19.7	0	0	0	108.5	K527	N509-K527 PolarHBondContact OD1-NZ 2.79Å
510	F	81.1	Confident	67.4	Low	109 Å²	109	116.4 Å²	116.4	48%	0.478	59%	0.585	S	S	.	*			trans	-110	-11	176.1	61.7	-89.3	0	0	0	112.3	L502 E503 L506 R508	L502-F510 HydrophobicContact CB-CE1 4.09Å; L502-F510 HydrophobicContact CB-CZ 3.88Å; E503-F510 HydrophobicContact CB-CE1 4.26Å; E503-F510 HydrophobicContact CB-CZ 4.09Å; L506-F510 HydrophobicContact CB-CE1 4.47Å; L506-F510 HydrophobicContact CD1-CD1 3.95Å; L506-F510 HydrophobicContact CD1-CE1 3.77Å; L506-F510 HydrophobicContact CG-CE1 4.48Å; R508-F510 PolarHBondContact O-N 2.9Å
511	L	74.1	Confident	64.6	Low	95 Å²	95	118.1 Å²	118.1	50%	0.497	60%	0.596	S	S	.	*	S	Bend	trans	-76.6	130.9	170.9	-63.3	179.4	0	0	0	109	E503 A513	E503-L511 HydrophobicContact CB-CD1 3.44Å; E503-L511 VanDerWaalsContact CB-CD1 3.44Å; E503-L511 HydrophobicContact CB-CG 4.11Å; E503-L511 HydrophobicContact CG-CD1 3.88Å; L511-A513 PolarHBondContact O-N 2.8Å
512	T	59.8	Low	62.1	Low	128 Å²	128	120.1 Å²	120.1	79%	0.785	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-55.4	132.5	166.3	22.8	0	0	0	0	109.5	H514	T512-H514 PolarHBondContact O-N 2.88Å; T512-H514 VanDerWaalsContact O-N 3.15Å
513	A	55.3	Low	59.8	Low	86 Å²	86	119.8 Å²	119.8	71%	0.711	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-54.6	123.3	175.1	0	0	0	0	0	109	L511 S515	L511-A513 PolarHBondContact O-N 2.8Å; A513-S515 PolarHBondContact O-N 2.93Å
514	H	50.8	Low	57.6	Low	138 Å²	138	124.1 Å²	124.1	64%	0.639	65%	0.648	S	S	*	*			trans	-61.5	104	174.6	-72.9	-54.4	0	0	0	108.9	T512 T516	T512-H514 PolarHBondContact O-N 2.88Å; T512-H514 VanDerWaalsContact O-N 3.15Å; H514-T516 VanDerWaalsContact C-N 3.34Å; H514-T516 PolarHBondContact O-N 2.85Å
515	S	41.8	Very low	55.9	Low	82 Å²	82	124.3 Å²	124.3	57%	0.573	65%	0.652	S	S	*	*			trans	-68.5	97.6	161	36.2	0	0	0	0	107.2	A513 Y517	A513-S515 PolarHBondContact O-N 2.93Å; S515-Y517 PolarHBondContact O-N 3.29Å
516	T	41.7	Very low	53.8	Low	47 Å²	47	127.3 Å²	127.3	29%	0.288	67%	0.665	S	S	.	*			trans	-80.5	114.2	170.8	28.3	0	0	0	0	107.8	H514 I518	H514-T516 VanDerWaalsContact C-N 3.34Å; H514-T516 PolarHBondContact O-N 2.85Å; T516-I518 PolarHBondContact O-N 3.32Å; T516-I518 VanDerWaalsContact O-N 3.17Å
517	Y	38.9	Very low	51.8	Low	195 Å²	195	129 Å²	129	77%	0.765	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.1	92.4	165.5	-74.1	-84.5	0	0	0	107.8	S515	S515-Y517 PolarHBondContact O-N 3.29Å
518	I	39.6	Very low	49.9	Very low	111 Å²	111	123.4 Å²	123.4	57%	0.569	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.6	111.6	165.3	-60.7	176.1	0	0	0	105.6	T516 N520 D521	T516-I518 PolarHBondContact O-N 3.32Å; T516-I518 VanDerWaalsContact O-N 3.17Å; I518-N520 PolarHBondContact O-N 2.89Å; I518-D521 PolarHBondContact O-N 2.81Å
519	N	38.2	Very low	47.9	Very low	152 Å²	152	117.7 Å²	117.7	81%	0.813	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.8	60	175	-72.2	-15.3	0	0	0	115.2	D521	N519-D521 PolarHBondContact O-N 3.44Å
520	N	36.3	Very low	46.3	Very low	160 Å²	160	119.2 Å²	119.2	86%	0.856	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.5	6.2	171.9	-77.3	-12.8	0	0	0	118	I518	I518-N520 PolarHBondContact O-N 2.89Å
521	D	32.6	Very low	44.6	Very low	133 Å²	133	118.4 Å²	118.4	71%	0.711	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115	128.8	175	-79.6	-33.5	0	0	0	111.8	I518 N519	I518-D521 PolarHBondContact O-N 2.81Å; N519-D521 PolarHBondContact O-N 3.44Å
522	V	35.1	Very low	43.2	Very low	108 Å²	108	121 Å²	121	66%	0.655	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.5	109.9	177.5	179.7	0	0	0	0	108.9
523	A	41.2	Very low	42.3	Very low	62 Å²	62	118.1 Å²	118.1	51%	0.512	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-95.6	123.9	172.2	0	0	0	0	0	111.5
524	T	37.3	Very low	41.4	Very low	138 Å²	138	121 Å²	121	85%	0.847	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-83.9	124.3	173	-0.9	0	0	0	0	110.7
525	L	50	Low	41.1	Very low	105 Å²	105	123.4 Å²	123.4	55%	0.55	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-91.9	134.2	-172.5	-77.1	156.1	0	0	0	113.9	L112	L112-L525 HydrophobicContact CD2-CD1 3.41Å; L112-L525 VanDerWaalsContact CD2-CD1 3.41Å; L112-L525 HydrophobicContact CD2-CD2 4.06Å; L112-L525 HydrophobicContact CD2-CG 4.4Å
526	K	41.1	Very low	40.9	Very low	202 Å²	202	124.8 Å²	124.8	88%	0.878	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-89.5	136.4	161.1	-83.9	-178.5	175.5	177	0	109.5	A528	K526-A528 PolarHBondContact O-N 2.92Å
527	K	45.6	Very low	40.8	Very low	121 Å²	121	127.9 Å²	127.9	53%	0.526	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-58.1	120.9	177.9	-143.5	169	-174.9	169.9	0	109.4	E503 N509 A529	E503-K527 PolarHBondContact O-NZ 2.88Å; N509-K527 PolarHBondContact OD1-NZ 2.79Å; K527-A529 PolarHBondContact O-N 3.01Å
528	A	45.6	Very low	40.6	Very low	85 Å²	85	124.1 Å²	124.1	70%	0.702	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-64.5	132.2	170.4	0	0	0	0	0	109.2	K526 L530	K526-A528 PolarHBondContact O-N 2.92Å; A528-L530 PolarHBondContact O-N 2.86Å
529	A	43	Very low	40.3	Very low	99 Å²	99	123.8 Å²	123.8	82%	0.818	73%	0.733	S	S	*	*			trans	-73.8	114.9	177	0	0	0	0	0	109.2	K527 A531	K527-A529 PolarHBondContact O-N 3.01Å; A529-A531 PolarHBondContact O-N 3.27Å; A529-A531 VanDerWaalsContact O-N 3.15Å
530	L	43.9	Very low	40	Very low	147 Å²	147	124.8 Å²	124.8	77%	0.77	74%	0.738	S	S	*	*			trans	-66.2	109.2	164.6	-76.4	160.4	0	0	0	107.4	A528 N532	A528-L530 PolarHBondContact O-N 2.86Å; L530-N532 PolarHBondContact O-N 3.03Å
531	A	44.6	Very low	39.8	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	74%	0.737	S	S	*	*			trans	-78.5	117.1	173.3	0	0	0	0	0	108.8	A529 G533	A529-A531 PolarHBondContact O-N 3.27Å; A529-A531 VanDerWaalsContact O-N 3.15Å; A531-G533 PolarHBondContact O-N 2.78Å
532	N	45.8	Very low	40.1	Very low	149 Å²	149	128.1 Å²	128.1	80%	0.797	75%	0.746	S	S	*	*			trans	-58.4	135.1	156.8	-83	-16.9	0	0	0	107.2	L530 N534	L530-N532 PolarHBondContact O-N 3.03Å; N532-N534 PolarHBondContact O-N 3.27Å
533	G	40.3	Very low	39.7	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	75%	0.747	S	S	*	*			trans	-47.2	112.5	175.8	0	0	0	0	0	109.5	A531 H535	A531-G533 PolarHBondContact O-N 2.78Å; G533-H535 VanDerWaalsContact C-N 3.33Å; G533-H535 PolarHBondContact O-N 2.87Å
534	N	36.6	Very low	39.1	Very low	148 Å²	148	130.6 Å²	130.6	79%	0.791	76%	0.761	S	S	*	*			trans	-63.5	99.5	175.7	-89	-19	0	0	0	106.8	N532 T536	N532-N534 PolarHBondContact O-N 3.27Å; N534-T536 PolarHBondContact O-N 2.88Å
535	H	44.8	Very low	38.6	Very low	188 Å²	188	134.8 Å²	134.8	87%	0.87	76%	0.763	S	S	*	*			trans	-66.1	85.1	154.9	-74.3	-69.2	0	0	0	105.9	G533 S537	G533-H535 VanDerWaalsContact C-N 3.33Å; G533-H535 PolarHBondContact O-N 2.87Å; H535-S537 VanDerWaalsContact C-N 3.33Å; H535-S537 PolarHBondContact O-N 3.47Å
536	T	37	Very low	37.6	Very low	110 Å²	110	135.7 Å²	135.7	68%	0.675	77%	0.773	S	S	*	*			trans	-56.9	105.2	165	43.3	0	0	0	0	106.5	N534 V538	N534-T536 PolarHBondContact O-N 2.88Å; T536-V538 PolarHBondContact O-N 3.18Å
537	S	39.9	Very low	37.1	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	77%	0.772	S	S	*	*			trans	-62.3	83.1	168.4	53.5	0	0	0	0	108.3	H535 P539	H535-S537 VanDerWaalsContact C-N 3.33Å; H535-S537 PolarHBondContact O-N 3.47Å; S537-P539 WeakPolarHBondContact O-CD 3.27Å
538	V	34.8	Very low	36.3	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	79%	0.79	S	S	*	*			trans	-81.4	114.8	162.6	-178.5	0	0	0	0	105.6	T536 L540	T536-V538 PolarHBondContact O-N 3.18Å; V538-L540 PolarHBondContact O-N 3.28Å
539	P	33.4	Very low	35.6	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	79%	0.788	S	S	*	*			trans	-66.6	119.8	171.5	-6.5	22.4	0	0	0	107.1	S537 K541	S537-P539 WeakPolarHBondContact O-CD 3.27Å; P539-K541 VanDerWaalsContact C-N 3.32Å; P539-K541 PolarHBondContact O-N 3.43Å
540	L	31.3	Very low	34.9	Very low	173 Å²	173	140.7 Å²	140.7	91%	0.906	79%	0.785	S	S	*	*			trans	-59.8	97.4	165.3	-83.3	156.7	0	0	0	107.7	V538 N542	V538-L540 PolarHBondContact O-N 3.28Å; L540-N542 PolarHBondContact O-N 3.49Å
541	K	30.9	Very low	34.3	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	79%	0.785	S	S	*	*			trans	-75.2	111.1	165.1	-81.1	-172.6	175.8	-178.6	0	107.5	P539 G543	P539-K541 VanDerWaalsContact C-N 3.32Å; P539-K541 PolarHBondContact O-N 3.43Å; K541-G543 PolarHBondContact O-N 3.24Å
542	N	39	Very low	33.5	Very low	169 Å²	169	139.9 Å²	139.9	90%	0.904	79%	0.786	S	S	*	*			trans	-47.5	119.4	162.3	-76.6	-21.5	0	0	0	109.4	L540	L540-N542 PolarHBondContact O-N 3.49Å
543	G	28.1	Very low	32.8	Very low	65 Å²	65	138.6 Å²	138.6	67%	0.67	79%	0.787	S	S	*	*			trans	-140.4	102.8	179.9	0	0	0	0	0	110	K541	K541-G543 PolarHBondContact O-N 3.24Å
544	I	28.6	Very low	32.5	Very low	156 Å²	156	139.7 Å²	139.7	80%	0.8	79%	0.79	S	S	*	*			trans	-55.4	129.3	176.5	-67.2	160.1	0	0	0	109.8	T546	I544-T546 HydrophobicContact CG2-CG2 4.26Å; I544-T546 PolarHBondContact O-N 3.06Å
545	Y	25.9	Very low	32.5	Very low	226 Å²	226	145.2 Å²	145.2	89%	0.886	81%	0.814	S	S	*	*			trans	-71.5	107.6	166.3	-88	-91.3	0	0	0	109.1
546	T	28.5	Very low	31.9	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	81%	0.811	S	S	*	*			trans	-106.4	113.2	157.1	45.1	0	0	0	0	108.5	I544	I544-T546 HydrophobicContact CG2-CG2 4.26Å; I544-T546 PolarHBondContact O-N 3.06Å
547	H	31.9	Very low	31.6	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.856	82%	0.818	S	S	*	*			trans	-55.3	128.6	161.1	-92	-82.3	0	0	0	110.3
548	Q	27.6	Very low	31.2	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	82%	0.82	S	S	*	*			trans	-141.5	124.1	148.7	-105.3	-179.6	-5.5	0	0	109.3
549	S	31	Very low	31	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	83%	0.827	S	S	*	*			trans	-69.2	149.7	167	53.7	0	0	0	0	110.3
550	D	28.5	Very low	30.8	Very low	138 Å²	138	151.1 Å²	151.1	74%	0.738	84%	0.836	S	S	*	*				173.1	118.2	115.3	-85.3	-4	0	0	0	112.1
551	T	30.9	Very low	30.8	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	83%	0.831	S	S	*	*			trans	30.2	128.3	134.5	37.1	0	0	0	0	123.2
552	A	29.2	Very low	30.8	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	83%	0.831	S	S	*	*				72.2	121.5	128	0	0	0	0	0	119.9
553	C	30.2	Very low	30.1	Very low	122 Å²	122	144.8 Å²	144.8	82%	0.824	83%	0.825	S	S	*	*				162.7	136.7	81.3	-155.9	0	0	0	0	111.7
554	A	35.2	Very low	30.3	Very low	91 Å²	91	151.4 Å²	151.4	75%	0.752	84%	0.838	S	S	*	*			trans	42.8	128.7	150.5	0	0	0	0	0	119.9
555	M	36.2	Very low	30.5	Very low	264 Å²	264	151 Å²	151	100%	1.3	84%	0.841	S	S	*	*			cis	-140.4	0	49.9	-82.4	-169.4	-160.8	0	0	113

Retrieved 555 of 555 residues in 630 ms (Link to these results)

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