A0A087YMW1_POEFO Loading...

S-formylglutathione hydrolase

Serine hydrolase involved in the detoxification of formaldehyde.

AlphaFold DB , UniProt , Accession A0A087YMW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 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	63.6	Low	94.1	Very high	117 Å²	117	79.9 Å²	79.9	58%	0.576	45%	0.454	S	S	*	.				0	141	0	-63.7	172.9	-151.7	0	0	107.6	T24 E127 L131	M1-T24 HydrophobicContact CE-CG2 3.43Å; M1-T24 VanDerWaalsContact CE-CG2 3.43Å; M1-T24 WeakPolarHBondContact CE-OG1 3.48Å; M1-T24 HydrophobicContact SD-CG2 4.23Å; M1-E127 WeakPolarHBondContact CE-OE1 3.25Å; M1-L131 HydrophobicContact CB-CD1 4.15Å
2	A	85.9	Confident	94.5	Very high	87 Å²	87	76.1 Å²	76.1	72%	0.719	44%	0.44	S	S	*	.			trans	-73	131	179	0	0	0	0	0	110.1
3	L	96.9	Very high	94.7	Very high	37 Å²	37	73.4 Å²	73.4	19%	0.194	44%	0.439	C	S	.	.			trans	-91.8	132.7	171.5	-67.8	-178.4	0	0	0	109.5	F19 H21 F32 L131 N135 F136	L3-F19 HydrophobicContact CB-CD1 3.87Å; L3-F19 HydrophobicContact CB-CE1 4.42Å; L3-F19 HydrophobicContact CD1-CD1 4.33Å; L3-H21 HydrophobicContact CD2-CB 3.91Å; L3-F32 HydrophobicContact CD1-CZ 4.41Å; L3-F32 HydrophobicContact CD2-CE1 3.92Å; L3-F32 HydrophobicContact CD2-CZ 4Å; L3-L131 HydrophobicContact CD2-CD1 3.98Å; L3-L131 HydrophobicContact CD2-CD2 3.78Å; L3-L131 HydrophobicContact CD2-CG 4Å; L3-L131 HydrophobicContact CG-CD1 4.49Å; L3-N135 HydrophobicContact CD1-CB 3.55Å; L3-F136 HydrophobicContact CD1-CE2 3.86Å; L3-F136 HydrophobicContact CD1-CZ 3.83Å
4	T	98.4	Very high	95	Very high	86 Å²	86	68.2 Å²	68.2	53%	0.528	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.3	169.6	-62.3	0	0	0	0	109.3	V6 F19 E20	T4-V6 PolarHBondContact O-N 2.71Å; T4-F19 CarbonylContact O-C 3.59Å; T4-F19 WeakPolarHBondContact O-CA 3.5Å; T4-E20 PolarHBondContact N-O 2.96Å; T4-E20 PolarHBondContact O-N 3.27Å
5	Q	98.6	Very high	95.3	Very high	98 Å²	98	67.8 Å²	67.8	46%	0.458	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.9	176.7	-166.7	-176.1	-97.4	0	0	109.7	F19	Q5-F19 HydrophobicContact CB-CD1 3.93Å; Q5-F19 HydrophobicContact CB-CE1 3.59Å; Q5-F19 HydrophobicContact CB-CZ 4.29Å; Q5-F19 HydrophobicContact CG-CD1 4.28Å; Q5-F19 HydrophobicContact CG-CE1 3.8Å; Q5-F19 HydrophobicContact CG-CZ 4Å
6	V	98.7	Very high	95.5	Very high	73 Å²	73	64.5 Å²	64.5	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-41.3	178.5	179.3	0	0	0	0	110.8	T4 V18 E20	T4-V6 PolarHBondContact O-N 2.71Å; V6-V18 HydrophobicContact CB-CB 4.21Å; V6-V18 HydrophobicContact CB-CG1 4.08Å; V6-V18 HydrophobicContact CG1-CG1 4.48Å; V6-V18 HydrophobicContact CG2-CG1 4.46Å; V6-V18 PolarHBondContact N-O 3.44Å; V6-E20 HydrophobicContact CG2-CB 3.91Å
7	S	98.8	Very high	95.7	Very high	39 Å²	39	62.6 Å²	62.6	27%	0.273	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.7	178.4	70.7	0	0	0	0	112.2	K17 V18	S7-K17 VanDerWaalsContact O-CA 3.29Å; S7-K17 WeakPolarHBondContact O-CA 3.29Å; S7-V18 PolarHBondContact N-O 3.11Å; S7-V18 PolarHBondContact O-N 3.3Å; S7-V18 VanDerWaalsContact O-N 3.11Å; S7-V18 WeakPolarHBondContact OG-CB 3.44Å; S7-V18 WeakPolarHBondContact OG-CG2 3.44Å
8	S	98.7	Very high	95.9	Very high	45 Å²	45	59.2 Å²	59.2	32%	0.315	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	115	177.3	177.9	0	0	0	0	110.1	K17	S8-K17 PolarHBondContact OG-NZ 3.34Å
9	N	98.8	Very high	96	Very high	97 Å²	97	57.1 Å²	57.1	52%	0.519	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132	-177.2	-61.1	-75.6	0	0	0	109.9	C11 F15 Q16	N9-C11 PolarHBondContact O-N 2.77Å; N9-F15 CarbonylContact O-C 3.56Å; N9-F15 WeakPolarHBondContact O-CA 3.32Å; N9-Q16 PolarHBondContact N-O 3Å; N9-Q16 PolarHBondContact O-N 2.75Å
10	K	98.6	Very high	96.2	Very high	156 Å²	156	56.3 Å²	56.3	68%	0.678	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.1	173.8	-165.1	166.2	-173	168.6	0	109.3	G14 F15	K10-G14 WeakPolarHBondContact CA-O 3.44Å; K10-F15 HydrophobicContact CB-CD1 4.41Å; K10-F15 HydrophobicContact CB-CE1 4.13Å; K10-F15 HydrophobicContact CD-CZ 4.5Å; K10-F15 HydrophobicContact CG-CE1 4.43Å
11	C	98.4	Very high	96.3	Very high	44 Å²	44	53.8 Å²	53.8	30%	0.297	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	131.1	-176.8	-175.2	0	0	0	0	110.3	N9 G13 G14 Q16 Y35	N9-C11 PolarHBondContact O-N 2.77Å; C11-G13 PolarHBondContact O-N 3.48Å; C11-G13 VanDerWaalsContact O-N 3.15Å; C11-G14 PolarHBondContact N-O 3.2Å; C11-G14 CarbonylContact O-C 3.58Å; C11-G14 PolarHBondContact O-N 3.35Å; C11-Q16 HydrophobicContact CB-CB 4.46Å; C11-Y35 HydrophobicContact CB-CE2 4.31Å; C11-Y35 VanDerWaalsContact O-CE2 3.3Å; C11-Y35 WeakPolarHBondContact O-CE2 3.28Å; C11-Y35 PolarHBondContact O-OH 3.43Å
12	A	98.1	Very high	98	Very high	34 Å²	34	53.2 Å²	53.2	28%	0.281	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	41.2	179.9	0	0	0	0	0	113.4	G14 Y35 Q68 L69 A72	A12-G14 PolarHBondContact O-N 3.22Å; A12-G14 VanDerWaalsContact O-N 3.08Å; A12-Y35 PolarHBondContact O-OH 2.98Å; A12-Q68 HydrophobicContact CB-CB 4.13Å; A12-L69 HydrophobicContact CB-CD2 3.79Å; A12-L69 HydrophobicContact CB-CG 4.27Å; A12-A72 HydrophobicContact CB-CB 4.09Å; A12-A72 WeakPolarHBondContact O-CB 3.16Å
13	G	98.2	Very high	98.6	Very high	41 Å²	41	49.4 Å²	49.4	42%	0.423	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-27.9	-176.7	0	0	0	0	0	115.1	C11	C11-G13 PolarHBondContact O-N 3.48Å; C11-G13 VanDerWaalsContact O-N 3.15Å
14	G	98.5	Very high	98.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-158.6	176.1	0	0	0	0	0	114.2	K10 C11 A12 Y35 L36	K10-G14 WeakPolarHBondContact CA-O 3.44Å; C11-G14 PolarHBondContact N-O 3.2Å; C11-G14 CarbonylContact O-C 3.58Å; C11-G14 PolarHBondContact O-N 3.35Å; A12-G14 PolarHBondContact O-N 3.22Å; A12-G14 VanDerWaalsContact O-N 3.08Å; G14-Y35 PolarHBondContact N-OH 2.85Å; G14-L36 CarbonylContact C-O 3.53Å; G14-L36 WeakPolarHBondContact CA-O 3.35Å
15	F	98.8	Very high	98.6	Very high	62 Å²	62	49.2 Å²	49.2	27%	0.272	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.5	-179.6	-72.3	-87.9	0	0	0	112.7	N9 K10 K17 Y35 L36	N9-F15 CarbonylContact O-C 3.56Å; N9-F15 WeakPolarHBondContact O-CA 3.32Å; K10-F15 HydrophobicContact CB-CD1 4.41Å; K10-F15 HydrophobicContact CB-CE1 4.13Å; K10-F15 HydrophobicContact CD-CZ 4.5Å; K10-F15 HydrophobicContact CG-CE1 4.43Å; F15-K17 HydrophobicContact CB-CG 4.27Å; F15-Y35 WeakPolarHBondContact O-CA 3.33Å; F15-L36 PolarHBondContact N-O 3.29Å; F15-L36 PolarHBondContact O-N 3.01Å
16	Q	98.9	Very high	98.6	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.3	164.2	-178	64.4	61.8	0	0	109	N9 C11 I34 Y35 I62	N9-Q16 PolarHBondContact N-O 3Å; N9-Q16 PolarHBondContact O-N 2.75Å; C11-Q16 HydrophobicContact CB-CB 4.46Å; Q16-I34 PolarHBondContact NE2-O 3.09Å; Q16-Y35 HydrophobicContact CB-CD2 4.32Å; Q16-I62 HydrophobicContact CG-CB 4.36Å; Q16-I62 HydrophobicContact CG-CD1 4.12Å
17	K	98.9	Very high	98.6	Very high	32 Å²	32	47.7 Å²	47.7	14%	0.139	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	158.7	-180	-63.1	175.8	177.8	-74.4	0	110.9	S7 S8 F15 F19 A33 I34 L36	S7-K17 VanDerWaalsContact O-CA 3.29Å; S7-K17 WeakPolarHBondContact O-CA 3.29Å; S8-K17 PolarHBondContact OG-NZ 3.34Å; F15-K17 HydrophobicContact CB-CG 4.27Å; K17-F19 HydrophobicContact CB-CD2 4.2Å; K17-F19 HydrophobicContact CB-CE2 3.59Å; K17-F19 HydrophobicContact CB-CZ 4.37Å; K17-F19 HydrophobicContact CD-CE2 3.81Å; K17-F19 HydrophobicContact CD-CZ 3.92Å; K17-F19 HydrophobicContact CG-CE2 4.34Å; K17-A33 CarbonylContact O-C 3.35Å; K17-A33 WeakPolarHBondContact O-CA 3.41Å; K17-I34 HydrophobicContact CB-CG2 3.95Å; K17-I34 PolarHBondContact N-O 3.32Å; K17-I34 PolarHBondContact O-N 3.23Å; K17-L36 HydrophobicContact CD-CD1 4.02Å
18	V	98.9	Very high	98.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.9	169	-179.6	0	0	0	0	107.6	V6 S7 F32 A33 E58 I62	V6-V18 HydrophobicContact CB-CB 4.21Å; V6-V18 HydrophobicContact CB-CG1 4.08Å; V6-V18 HydrophobicContact CG1-CG1 4.48Å; V6-V18 HydrophobicContact CG2-CG1 4.46Å; V6-V18 PolarHBondContact N-O 3.44Å; S7-V18 PolarHBondContact N-O 3.11Å; S7-V18 PolarHBondContact O-N 3.3Å; S7-V18 VanDerWaalsContact O-N 3.11Å; S7-V18 WeakPolarHBondContact OG-CB 3.44Å; S7-V18 WeakPolarHBondContact OG-CG2 3.44Å; V18-F32 WeakPolarHBondContact CA-O 3.46Å; V18-A33 HydrophobicContact CG2-CB 4.13Å; V18-E58 HydrophobicContact CG1-CG 4.01Å; V18-I62 HydrophobicContact CG2-CD1 4.07Å
19	F	98.9	Very high	98.6	Very high	19 Å²	19	50 Å²	50	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.4	178.1	-70.9	-89.8	0	0	0	110.5	L3 T4 Q5 K17 K31 F32 I34 F136	L3-F19 HydrophobicContact CB-CD1 3.87Å; L3-F19 HydrophobicContact CB-CE1 4.42Å; L3-F19 HydrophobicContact CD1-CD1 4.33Å; T4-F19 CarbonylContact O-C 3.59Å; T4-F19 WeakPolarHBondContact O-CA 3.5Å; Q5-F19 HydrophobicContact CB-CD1 3.93Å; Q5-F19 HydrophobicContact CB-CE1 3.59Å; Q5-F19 HydrophobicContact CB-CZ 4.29Å; Q5-F19 HydrophobicContact CG-CD1 4.28Å; Q5-F19 HydrophobicContact CG-CE1 3.8Å; Q5-F19 HydrophobicContact CG-CZ 4Å; K17-F19 HydrophobicContact CB-CD2 4.2Å; K17-F19 HydrophobicContact CB-CE2 3.59Å; K17-F19 HydrophobicContact CB-CZ 4.37Å; K17-F19 HydrophobicContact CD-CE2 3.81Å; K17-F19 HydrophobicContact CD-CZ 3.92Å; K17-F19 HydrophobicContact CG-CE2 4.34Å; F19-K31 VanDerWaalsContact O-CA 3.24Å; F19-K31 WeakPolarHBondContact O-CA 3.46Å; F19-F32 HydrophobicContact CB-CD1 4.5Å; F19-F32 HydrophobicContact CB-CE1 3.89Å; F19-F32 HydrophobicContact CB-CE2 4.15Å; F19-F32 HydrophobicContact CB-CZ 3.69Å; F19-F32 HydrophobicContact CD2-CE2 4.2Å; F19-F32 HydrophobicContact CD2-CZ 4.33Å; F19-F32 HydrophobicContact CG-CZ 4.25Å; F19-F32 PolarHBondContact N-O 2.96Å; F19-F32 PolarHBondContact O-N 3.35Å; F19-I34 HydrophobicContact CD2-CG2 3.78Å; F19-I34 HydrophobicContact CE2-CG2 3.67Å; F19-F136 AromaticContact CD2-CZ 3.91Å; F19-F136 HydrophobicContact CD2-CZ 3.91Å; F19-F136 AromaticContact CE2-CE1 3.76Å; F19-F136 HydrophobicContact CE2-CE1 3.76Å; F19-F136 AromaticContact CE2-CZ 3.56Å; F19-F136 HydrophobicContact CE2-CZ 3.56Å; F19-F136 AromaticContact CZ-CE1 3.92Å; F19-F136 HydrophobicContact CZ-CE1 3.92Å; F19-F136 AromaticContact CZ-CZ 3.91Å; F19-F136 HydrophobicContact CZ-CZ 3.91Å
20	E	98.8	Very high	98.6	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.192	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.8	168.3	-176.4	175.6	96.9	0	0	109.6	T4 V6 K29 M30 K31	T4-E20 PolarHBondContact N-O 2.96Å; T4-E20 PolarHBondContact O-N 3.27Å; V6-E20 HydrophobicContact CG2-CB 3.91Å; E20-K29 HydrophobicContact CG-CB 4.39Å; E20-K29 IonicContact OE1-NZ 3.78Å; E20-K29 PolarHBondContact OE1-NZ 2.85Å; E20-M30 CarbonylContact C-O 3.53Å; E20-M30 VanDerWaalsContact CA-O 3.27Å; E20-M30 WeakPolarHBondContact CA-O 3.4Å; E20-K31 HydrophobicContact CB-CG 4.18Å; E20-K31 HydrophobicContact CG-CG 4.37Å; E20-K31 VanDerWaalsContact OE2-CE 3.28Å; E20-K31 WeakPolarHBondContact OE2-CE 3.38Å
21	H	98.8	Very high	98.6	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.7	171.2	79.3	100.6	0	0	0	111.4	L3 K29 M30 F32 Y123 E127 L131	L3-H21 HydrophobicContact CD2-CB 3.91Å; H21-K29 WeakPolarHBondContact O-CA 3.42Å; H21-M30 PolarHBondContact N-O 3.35Å; H21-M30 PolarHBondContact O-N 2.79Å; H21-F32 AromaticContact CD2-CD1 3.91Å; H21-F32 AromaticContact CD2-CE1 3.91Å; H21-Y123 AromaticContact CE1-CE2 3.67Å; H21-Y123 AromaticContact NE2-CE2 3.47Å; H21-Y123 WeakPolarHBondContact NE2-CE2 3.22Å; H21-Y123 AromaticContact NE2-CZ 3.63Å; H21-Y123 PolarHBondContact NE2-OH 2.91Å; H21-E127 IonicContact CE1-OE1 2.84Å; H21-L131 HydrophobicContact CB-CD2 4.22Å
22	D	98.6	Very high	98.7	Very high	104 Å²	104	39.4 Å²	39.4	56%	0.556	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.4	168	-58.8	-55.9	0	0	0	109.1	K29	D22-K29 VanDerWaalsContact OD1-CG 3.28Å; D22-K29 WeakPolarHBondContact OD1-CG 3.46Å
23	S	98.8	Very high	98.7	Very high	7 Å²	7	37.8 Å²	37.8	5%	0.049	19%	0.192	C	C	.	.			trans	-89.2	127.9	177.3	168.7	0	0	0	0	111.3	E25 L26 K27 C28 E127	S23-E25 PolarHBondContact OG-N 2.92Å; S23-L26 WeakPolarHBondContact OG-CB 3.28Å; S23-L26 WeakPolarHBondContact OG-CG 3.06Å; S23-L26 PolarHBondContact OG-N 2.83Å; S23-K27 WeakPolarHBondContact O-CA 3.34Å; S23-K27 PolarHBondContact O-N 3.36Å; S23-C28 PolarHBondContact N-O 3.06Å; S23-E127 VanDerWaalsContact CA-OE1 3.31Å; S23-E127 WeakPolarHBondContact CA-OE1 3.46Å; S23-E127 PolarHBondContact OG-OE2 3.02Å
24	T	98.3	Very high	98.7	Very high	74 Å²	74	35.9 Å²	35.9	45%	0.454	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-33.4	172.9	54.2	0	0	0	0	113	M1 K27 E127	M1-T24 HydrophobicContact CE-CG2 3.43Å; M1-T24 VanDerWaalsContact CE-CG2 3.43Å; M1-T24 WeakPolarHBondContact CE-OG1 3.48Å; M1-T24 HydrophobicContact SD-CG2 4.23Å; T24-K27 WeakPolarHBondContact O-CD 3.45Å; T24-K27 WeakPolarHBondContact O-CE 3.36Å; T24-K27 PolarHBondContact O-NZ 2.65Å; T24-E127 PolarHBondContact N-OE1 2.88Å; T24-E127 PolarHBondContact N-OE2 2.94Å; T24-E127 VanDerWaalsContact OG1-CD 3.3Å; T24-E127 PolarHBondContact OG1-OE1 2.9Å
25	E	98.6	Very high	98.8	Very high	46 Å²	46	35.9 Å²	35.9	22%	0.215	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-39.8	175.5	-73.1	-71.6	178.2	0	0	111.6	S23 R119 S122 E127	S23-E25 PolarHBondContact OG-N 2.92Å; E25-R119 WeakPolarHBondContact O-CD 3.44Å; E25-R119 IonicContact OE2-CZ 2.73Å; E25-R119 VanDerWaalsContact OE2-CZ 3.3Å; E25-R119 IonicContact OE2-NE 3.42Å; E25-R119 PolarHBondContact OE2-NE 3.36Å; E25-R119 IonicContact OE2-NH2 3.57Å; E25-R119 PolarHBondContact OE2-NH2 3.18Å; E25-S122 VanDerWaalsContact CD-CB 3.43Å; E25-S122 WeakPolarHBondContact OE2-CB 3.34Å; E25-E127 WeakPolarHBondContact CB-OE2 2.95Å; E25-E127 HydrophobicContact CG-CB 4.01Å; E25-E127 PolarHBondContact N-OE2 3.42Å
26	L	98.8	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-7.6	-171.3	-51.4	179.6	0	0	0	113.8	S23 C28 M30 P85 N117 R119 M120 Y123	S23-L26 WeakPolarHBondContact OG-CB 3.28Å; S23-L26 WeakPolarHBondContact OG-CG 3.06Å; S23-L26 PolarHBondContact OG-N 2.83Å; L26-C28 PolarHBondContact O-N 2.78Å; L26-C28 VanDerWaalsContact O-N 3.15Å; L26-M30 HydrophobicContact CD1-CE 3.56Å; L26-M30 HydrophobicContact CD1-CG 3.78Å; L26-M30 HydrophobicContact CD1-SD 3.55Å; L26-M30 VanDerWaalsContact CD1-SD 3.55Å; L26-P85 HydrophobicContact CB-CB 4.39Å; L26-N117 WeakPolarHBondContact CD2-O 3.47Å; L26-N117 WeakPolarHBondContact O-CA 3.32Å; L26-N117 WeakPolarHBondContact O-CB 3.37Å; L26-N117 PolarHBondContact O-ND2 2.92Å; L26-R119 VanDerWaalsContact CD2-C 3.42Å; L26-R119 HydrophobicContact CD2-CB 4.01Å; L26-R119 WeakPolarHBondContact CD2-O 3.49Å; L26-M120 HydrophobicContact CD1-SD 3.56Å; L26-M120 VanDerWaalsContact CD1-SD 3.56Å; L26-M120 HydrophobicContact CD2-SD 3.92Å; L26-M120 HydrophobicContact CG-SD 4.44Å; L26-Y123 HydrophobicContact CD1-CD1 3.94Å; L26-Y123 HydrophobicContact CD1-CD2 3.73Å; L26-Y123 HydrophobicContact CD1-CE1 4.42Å; L26-Y123 HydrophobicContact CD1-CE2 4.24Å; L26-Y123 HydrophobicContact CD1-CG 3.57Å; L26-Y123 HydrophobicContact CG-CD2 4.07Å; L26-Y123 HydrophobicContact CG-CG 4.07Å
27	K	98.6	Very high	98.8	Very high	138 Å²	138	33.8 Å²	33.8	60%	0.6	16%	0.164	S	C	*	.	S	Bend	trans	54.5	32.3	177.8	-49	-59.9	-178.2	-165.6	0	113.7	S23 T24 T116	S23-K27 WeakPolarHBondContact O-CA 3.34Å; S23-K27 PolarHBondContact O-N 3.36Å; T24-K27 WeakPolarHBondContact O-CD 3.45Å; T24-K27 WeakPolarHBondContact O-CE 3.36Å; T24-K27 PolarHBondContact O-NZ 2.65Å; K27-T116 HydrophobicContact CB-CG2 4.47Å; K27-T116 HydrophobicContact CG-CG2 4.01Å
28	C	98.6	Very high	98.7	Very high	19 Å²	19	34.9 Å²	34.9	13%	0.128	17%	0.174	C	C	.	.	S	Bend	trans	-147.3	171.5	178.4	71.9	0	0	0	0	110.5	S23 L26	S23-C28 PolarHBondContact N-O 3.06Å; L26-C28 PolarHBondContact O-N 2.78Å; L26-C28 VanDerWaalsContact O-N 3.15Å
29	K	98.6	Very high	98.7	Very high	115 Å²	115	39.2 Å²	39.2	50%	0.5	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136	167.2	-76.3	-179.7	161.8	-140.4	0	109.7	E20 H21 D22	E20-K29 HydrophobicContact CG-CB 4.39Å; E20-K29 IonicContact OE1-NZ 3.78Å; E20-K29 PolarHBondContact OE1-NZ 2.85Å; H21-K29 WeakPolarHBondContact O-CA 3.42Å; D22-K29 VanDerWaalsContact OD1-CG 3.28Å; D22-K29 WeakPolarHBondContact OD1-CG 3.46Å
30	M	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.7	179.2	-70.4	-60.7	-67.2	0	0	110.5	E20 H21 L26 D82 S84 Y123	E20-M30 CarbonylContact C-O 3.53Å; E20-M30 VanDerWaalsContact CA-O 3.27Å; E20-M30 WeakPolarHBondContact CA-O 3.4Å; H21-M30 PolarHBondContact N-O 3.35Å; H21-M30 PolarHBondContact O-N 2.79Å; L26-M30 HydrophobicContact CD1-CE 3.56Å; L26-M30 HydrophobicContact CD1-CG 3.78Å; L26-M30 HydrophobicContact CD1-SD 3.55Å; L26-M30 VanDerWaalsContact CD1-SD 3.55Å; M30-D82 HydrophobicContact CE-CB 3.87Å; M30-S84 WeakPolarHBondContact CE-O 3.5Å; M30-Y123 HydrophobicContact CB-CE2 4.45Å; M30-Y123 HydrophobicContact CE-CE1 3.99Å; M30-Y123 HydrophobicContact CG-CE2 4.29Å
31	K	98.9	Very high	98.4	Very high	74 Å²	74	43.6 Å²	43.6	32%	0.322	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.9	168.7	-70.1	177.4	-178.8	173.3	0	110.4	F19 E20 E58 D82	F19-K31 VanDerWaalsContact O-CA 3.24Å; F19-K31 WeakPolarHBondContact O-CA 3.46Å; E20-K31 HydrophobicContact CB-CG 4.18Å; E20-K31 HydrophobicContact CG-CG 4.37Å; E20-K31 VanDerWaalsContact OE2-CE 3.28Å; E20-K31 WeakPolarHBondContact OE2-CE 3.38Å; K31-E58 HydrophobicContact CB-CG 4.22Å; K31-D82 PolarHBondContact O-N 2.86Å
32	F	98.9	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.8	167.5	67.6	-90.8	0	0	0	109.2	L3 V18 F19 H21 I34 V79 L128 L131 I132 F136	L3-F32 HydrophobicContact CD1-CZ 4.41Å; L3-F32 HydrophobicContact CD2-CE1 3.92Å; L3-F32 HydrophobicContact CD2-CZ 4Å; V18-F32 WeakPolarHBondContact CA-O 3.46Å; F19-F32 HydrophobicContact CB-CD1 4.5Å; F19-F32 HydrophobicContact CB-CE1 3.89Å; F19-F32 HydrophobicContact CB-CE2 4.15Å; F19-F32 HydrophobicContact CB-CZ 3.69Å; F19-F32 HydrophobicContact CD2-CE2 4.2Å; F19-F32 HydrophobicContact CD2-CZ 4.33Å; F19-F32 HydrophobicContact CG-CZ 4.25Å; F19-F32 PolarHBondContact N-O 2.96Å; F19-F32 PolarHBondContact O-N 3.35Å; H21-F32 AromaticContact CD2-CD1 3.91Å; H21-F32 AromaticContact CD2-CE1 3.91Å; F32-I34 HydrophobicContact CE2-CB 4.38Å; F32-I34 HydrophobicContact CE2-CG2 4.37Å; F32-V79 HydrophobicContact CD2-CG1 4.28Å; F32-L128 HydrophobicContact CB-CD1 4.41Å; F32-L128 HydrophobicContact CD1-CD1 3.9Å; F32-L128 HydrophobicContact CD2-CD1 4.45Å; F32-L128 HydrophobicContact CE1-CD1 4.27Å; F32-L128 HydrophobicContact CG-CD1 4Å; F32-L131 HydrophobicContact CE1-CD2 3.91Å; F32-L131 HydrophobicContact CZ-CD2 4.5Å; F32-I132 HydrophobicContact CD2-CD1 4.05Å; F32-I132 HydrophobicContact CE2-CD1 3.45Å; F32-I132 VanDerWaalsContact CE2-CD1 3.45Å; F32-I132 HydrophobicContact CZ-CD1 3.89Å; F32-F136 HydrophobicContact CE2-CE2 4.22Å; F32-F136 HydrophobicContact CZ-CE2 4.23Å
33	A	98.9	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.8	172.3	0	0	0	0	0	110.7	K17 V18 E58 I62 V79 A80	K17-A33 CarbonylContact O-C 3.35Å; K17-A33 WeakPolarHBondContact O-CA 3.41Å; V18-A33 HydrophobicContact CG2-CB 4.13Å; A33-E58 HydrophobicContact CB-CB 4.18Å; A33-E58 HydrophobicContact CB-CG 4.22Å; A33-I62 HydrophobicContact CB-CD1 3.76Å; A33-I62 HydrophobicContact CB-CG2 3.61Å; A33-V79 WeakPolarHBondContact O-CA 3.41Å; A33-A80 HydrophobicContact CB-CB 4.4Å; A33-A80 PolarHBondContact N-O 2.97Å; A33-A80 PolarHBondContact O-N 3.17Å
34	I	98.9	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.7	175.3	-175	171.2	0	0	0	109.9	Q16 K17 F19 F32 L36 I77 V78 V79 I132 F136	Q16-I34 PolarHBondContact NE2-O 3.09Å; K17-I34 HydrophobicContact CB-CG2 3.95Å; K17-I34 PolarHBondContact N-O 3.32Å; K17-I34 PolarHBondContact O-N 3.23Å; F19-I34 HydrophobicContact CD2-CG2 3.78Å; F19-I34 HydrophobicContact CE2-CG2 3.67Å; F32-I34 HydrophobicContact CE2-CB 4.38Å; F32-I34 HydrophobicContact CE2-CG2 4.37Å; I34-L36 HydrophobicContact CD1-CD2 3.62Å; I34-L36 HydrophobicContact CD1-CG 4.4Å; I34-L36 HydrophobicContact CG1-CD2 3.93Å; I34-L36 HydrophobicContact CG1-CG 4.31Å; I34-I77 HydrophobicContact CD1-CG2 3.75Å; I34-I77 HydrophobicContact CG1-CG2 3.78Å; I34-V78 CarbonylContact C-O 3.58Å; I34-V78 VanDerWaalsContact CA-O 3.32Å; I34-V78 WeakPolarHBondContact CA-O 3.48Å; I34-V79 HydrophobicContact CD1-CG2 4.21Å; I34-V79 HydrophobicContact CG1-CG2 4.13Å; I34-I132 HydrophobicContact CD1-CD1 4.32Å; I34-F136 HydrophobicContact CD1-CB 4.33Å; I34-F136 HydrophobicContact CD1-CD1 3.89Å; I34-F136 HydrophobicContact CD1-CD2 3.67Å; I34-F136 HydrophobicContact CD1-CE1 4.07Å; I34-F136 HydrophobicContact CD1-CE2 3.88Å; I34-F136 HydrophobicContact CD1-CG 3.68Å; I34-F136 HydrophobicContact CD1-CZ 4.07Å; I34-F136 HydrophobicContact CG2-CE1 4.31Å; I34-F136 HydrophobicContact CG2-CZ 4.16Å
35	Y	98.9	Very high	98	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	165.9	-178	-105.9	0	0	0	109.5	C11 A12 G14 F15 Q16 P37 Q68 A71 A72 I77 V78	C11-Y35 HydrophobicContact CB-CE2 4.31Å; C11-Y35 VanDerWaalsContact O-CE2 3.3Å; C11-Y35 WeakPolarHBondContact O-CE2 3.28Å; C11-Y35 PolarHBondContact O-OH 3.43Å; A12-Y35 PolarHBondContact O-OH 2.98Å; G14-Y35 PolarHBondContact N-OH 2.85Å; F15-Y35 WeakPolarHBondContact O-CA 3.33Å; Q16-Y35 HydrophobicContact CB-CD2 4.32Å; Y35-P37 HydrophobicContact CE1-CB 4.03Å; Y35-Q68 HydrophobicContact CD2-CB 4.1Å; Y35-Q68 HydrophobicContact CD2-CG 3.56Å; Y35-Q68 HydrophobicContact CE1-CB 4.38Å; Y35-Q68 HydrophobicContact CE2-CB 3.83Å; Y35-Q68 HydrophobicContact CE2-CG 3.77Å; Y35-Q68 HydrophobicContact CG-CB 4.5Å; Y35-Q68 HydrophobicContact CG-CG 3.99Å; Y35-A71 HydrophobicContact CD1-CB 3.78Å; Y35-A71 HydrophobicContact CE1-CB 3.92Å; Y35-A72 HydrophobicContact CE1-CB 4.33Å; Y35-A72 WeakPolarHBondContact OH-CB 3.4Å; Y35-I77 WeakPolarHBondContact O-CA 3.33Å; Y35-V78 PolarHBondContact N-O 2.83Å; Y35-V78 PolarHBondContact O-N 2.9Å
36	L	98.8	Very high	98	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.7	174.3	-61.7	174.7	0	0	0	108.3	G14 F15 K17 I34 A40 I77 F136	G14-L36 CarbonylContact C-O 3.53Å; G14-L36 WeakPolarHBondContact CA-O 3.35Å; F15-L36 PolarHBondContact N-O 3.29Å; F15-L36 PolarHBondContact O-N 3.01Å; K17-L36 HydrophobicContact CD-CD1 4.02Å; I34-L36 HydrophobicContact CD1-CD2 3.62Å; I34-L36 HydrophobicContact CD1-CG 4.4Å; I34-L36 HydrophobicContact CG1-CD2 3.93Å; I34-L36 HydrophobicContact CG1-CG 4.31Å; L36-A40 HydrophobicContact CB-CB 4.37Å; L36-I77 HydrophobicContact CD2-CD1 4.11Å; L36-I77 HydrophobicContact CD2-CG1 4.15Å; L36-I77 HydrophobicContact CD2-CG2 4.42Å; L36-F136 HydrophobicContact CD1-CD1 4.24Å; L36-F136 HydrophobicContact CD1-CE1 4.49Å; L36-F136 HydrophobicContact CD2-CD1 4.07Å
37	P	98.6	Very high	98	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.013	24%	0.238	C	C	.	.			trans	-67.8	162.5	177.4	31.9	-37.6	0	0	0	110.5	Y35 K39 A40 I77	Y35-P37 HydrophobicContact CE1-CB 4.03Å; P37-K39 PolarHBondContact O-N 3.49Å; P37-A40 HydrophobicContact CG-CB 4.25Å; P37-A40 WeakPolarHBondContact O-CB 3.38Å; P37-A40 PolarHBondContact O-N 3.1Å; P37-I77 HydrophobicContact CG-CG1 4.37Å
38	P	98.4	Very high	98.1	Very high	55 Å²	55	42 Å²	42	36%	0.357	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-50	-37.9	177.5	-26.3	32.5	0	0	0	113.6	A40 E41	P38-A40 PolarHBondContact O-N 2.87Å; P38-E41 WeakPolarHBondContact O-CB 3.1Å; P38-E41 PolarHBondContact O-N 3.43Å; P38-E41 VanDerWaalsContact O-N 3.17Å
39	K	97.8	Very high	98.1	Very high	93 Å²	93	41.3 Å²	41.3	40%	0.404	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59.9	-26.5	178.8	-171.1	175.2	-178.7	177.8	0	113.9	P37 E41 T42 D43	P37-K39 PolarHBondContact O-N 3.49Å; K39-E41 PolarHBondContact O-N 3.43Å; K39-T42 PolarHBondContact O-N 3.05Å; K39-T42 PolarHBondContact O-OG1 3.38Å; K39-D43 HydrophobicContact CG-CB 4.12Å; K39-D43 PolarHBondContact O-N 3.21Å
40	A	97.2	Very high	98.1	Very high	11 Å²	11	35.9 Å²	35.9	9%	0.091	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-70.7	-10	-179.8	0	0	0	0	0	113.4	L36 P37 P38 I77 S137	L36-A40 HydrophobicContact CB-CB 4.37Å; P37-A40 HydrophobicContact CG-CB 4.25Å; P37-A40 WeakPolarHBondContact O-CB 3.38Å; P37-A40 PolarHBondContact O-N 3.1Å; P38-A40 PolarHBondContact O-N 2.87Å; A40-I77 HydrophobicContact CB-CD1 4.3Å; A40-I77 HydrophobicContact CB-CG1 4.4Å; A40-S137 PolarHBondContact O-OG 3.35Å
41	E	94.1	Very high	98.1	Very high	141 Å²	141	35.9 Å²	35.9	66%	0.659	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-73.1	-29.8	172.5	-64.3	-174.9	179.5	0	0	112.4	P38 K39	P38-E41 WeakPolarHBondContact O-CB 3.1Å; P38-E41 PolarHBondContact O-N 3.43Å; P38-E41 VanDerWaalsContact O-N 3.17Å; K39-E41 PolarHBondContact O-N 3.43Å
42	T	94.7	Very high	98.1	Very high	113 Å²	113	32.4 Å²	32.4	69%	0.693	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-30.3	-175.2	55.9	0	0	0	0	113.7	K39	K39-T42 PolarHBondContact O-N 3.05Å; K39-T42 PolarHBondContact O-OG1 3.38Å
43	D	96.7	Very high	98.1	Very high	83 Å²	83	32.5 Å²	32.5	44%	0.444	17%	0.167	S	C	.	.	S	Bend	trans	-131.9	158.4	-169.4	-61.5	-71.4	0	0	0	113	K39 C45	K39-D43 HydrophobicContact CG-CB 4.12Å; K39-D43 PolarHBondContact O-N 3.21Å; D43-C45 PolarHBondContact O-N 3.26Å
44	K	97.7	Very high	98.1	Very high	139 Å²	139	33.3 Å²	33.3	60%	0.604	17%	0.171	S	C	*	.			trans	-70.5	127.4	166	-69.4	-178.1	175.8	-174	0	110.1	S137 T138 D139	K44-S137 WeakPolarHBondContact CA-O 3.37Å; K44-T138 WeakPolarHBondContact CD-O 3.29Å; K44-D139 HydrophobicContact CB-CB 4.46Å
45	C	98.5	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.5	-179.6	-66.1	0	0	0	0	111.6	D43 G75 I77 S137 T138 D139	D43-C45 PolarHBondContact O-N 3.26Å; C45-G75 WeakPolarHBondContact CB-O 3.41Å; C45-I77 HydrophobicContact CB-CD1 3.81Å; C45-I77 HydrophobicContact CB-CG1 3.81Å; C45-S137 PolarHBondContact N-O 3.42Å; C45-T138 CarbonylContact O-C 3.58Å; C45-T138 WeakPolarHBondContact O-CA 3.23Å; C45-D139 PolarHBondContact O-N 3.1Å
46	P	98.5	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	160.1	168.9	31.6	-36.9	0	0	0	111.1	I76 I77 R142 L280	P46-I76 HydrophobicContact CG-CG1 4.19Å; P46-I77 PolarHBondContact O-N 3.08Å; P46-R142 CarbonylContact C-O 3.4Å; P46-R142 VanDerWaalsContact CA-O 3.25Å; P46-R142 WeakPolarHBondContact CA-O 3.32Å; P46-R142 HydrophobicContact CB-CB 3.79Å; P46-R142 VanDerWaalsContact CB-O 3.29Å; P46-R142 WeakPolarHBondContact CB-O 3.29Å; P46-L280 HydrophobicContact CB-CB 3.81Å; P46-L280 HydrophobicContact CB-CD1 4.11Å; P46-L280 HydrophobicContact CB-CD2 3.92Å; P46-L280 HydrophobicContact CB-CG 4.17Å; P46-L280 HydrophobicContact CG-CB 3.99Å; P46-L280 HydrophobicContact CG-CD1 4.49Å
47	V	98.8	Very high	98	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	-174.8	-167.7	0	0	0	0	111.6	Y49 I77 V79 T138 R142 M143 S144	V47-Y49 HydrophobicContact CB-CE2 3.9Å; V47-Y49 HydrophobicContact CG1-CD2 3.86Å; V47-Y49 HydrophobicContact CG1-CE2 3.32Å; V47-I77 CarbonylContact C-O 3.4Å; V47-I77 WeakPolarHBondContact CA-O 3.43Å; V47-I77 HydrophobicContact CG1-CG2 4.22Å; V47-I77 HydrophobicContact CG2-CB 4.38Å; V47-V79 HydrophobicContact CG1-CB 4.48Å; V47-V79 HydrophobicContact CG1-CG2 3.74Å; V47-T138 HydrophobicContact CG2-CG2 3.62Å; V47-R142 PolarHBondContact N-O 3.22Å; V47-M143 CarbonylContact O-C 3.59Å; V47-M143 VanDerWaalsContact O-CA 3.29Å; V47-M143 WeakPolarHBondContact O-CA 3.45Å; V47-S144 PolarHBondContact O-N 2.88Å
48	L	98.9	Very high	98	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	165.8	176	62.3	0	0	0	109.7	I76 I77 V78 V79 I273 H276	L48-I76 HydrophobicContact CB-CG2 3.79Å; L48-I77 PolarHBondContact N-O 3.49Å; L48-V78 WeakPolarHBondContact O-CA 3.42Å; L48-V79 PolarHBondContact O-N 3.19Å; L48-I273 HydrophobicContact CD2-CD1 3.4Å; L48-I273 VanDerWaalsContact CD2-CD1 3.4Å; L48-H276 HydrophobicContact CD1-CB 4.46Å
49	Y	98.9	Very high	98.1	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.2	171.4	-71	-97.2	0	0	0	109.9	V47 V79 L128 P129 I132 M143 S144 I145 S146	V47-Y49 HydrophobicContact CB-CE2 3.9Å; V47-Y49 HydrophobicContact CG1-CD2 3.86Å; V47-Y49 HydrophobicContact CG1-CE2 3.32Å; Y49-V79 CarbonylContact C-O 3.34Å; Y49-V79 WeakPolarHBondContact CA-O 3.25Å; Y49-V79 HydrophobicContact CD1-CB 3.87Å; Y49-V79 HydrophobicContact CD1-CG1 3.96Å; Y49-V79 HydrophobicContact CE1-CB 3.87Å; Y49-V79 HydrophobicContact CE1-CG1 3.81Å; Y49-V79 HydrophobicContact CE1-CG2 4.28Å; Y49-L128 HydrophobicContact CD1-CD2 4.3Å; Y49-L128 HydrophobicContact CE1-CD2 4.08Å; Y49-L128 HydrophobicContact CE1-CG 4.17Å; Y49-P129 HydrophobicContact CE1-CG 4.34Å; Y49-P129 WeakPolarHBondContact OH-CA 3.17Å; Y49-I132 HydrophobicContact CE1-CG1 4.4Å; Y49-M143 HydrophobicContact CD2-CG 3.54Å; Y49-M143 HydrophobicContact CD2-SD 3.48Å; Y49-M143 WeakPolarHBondContact CD2-SD 3.22Å; Y49-M143 HydrophobicContact CE2-CG 3.49Å; Y49-M143 VanDerWaalsContact CE2-CG 3.49Å; Y49-M143 HydrophobicContact CE2-SD 3.11Å; Y49-M143 WeakPolarHBondContact CE2-SD 3.3Å; Y49-S144 PolarHBondContact N-O 2.95Å; Y49-I145 CarbonylContact O-C 3.57Å; Y49-I145 WeakPolarHBondContact O-CA 3.4Å; Y49-S146 PolarHBondContact O-N 3.18Å
50	W	98.9	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.4	173.2	170.9	-88.2	0	0	0	110.4	S52 F61 V79 A80 P81 S146 H148 F172 I265 I269	W50-S52 PolarHBondContact NE1-OG 3.45Å; W50-F61 HydrophobicContact CB-CD1 4.14Å; W50-F61 HydrophobicContact CB-CE1 4Å; W50-F61 HydrophobicContact CB-CE2 4.44Å; W50-F61 HydrophobicContact CB-CG 4.44Å; W50-F61 HydrophobicContact CB-CZ 4.14Å; W50-F61 AromaticContact CD1-CD1 3.76Å; W50-F61 AromaticContact CD1-CD2 3.64Å; W50-F61 AromaticContact CD1-CG 3.34Å; W50-F61 HydrophobicContact CD2-CD1 4.38Å; W50-F61 AromaticContact CD2-CD2 3.31Å; W50-F61 HydrophobicContact CD2-CD2 3.31Å; W50-F61 HydrophobicContact CD2-CE1 4.43Å; W50-F61 AromaticContact CD2-CE2 3.36Å; W50-F61 HydrophobicContact CD2-CE2 3.36Å; W50-F61 AromaticContact CD2-CG 3.85Å; W50-F61 HydrophobicContact CD2-CG 3.85Å; W50-F61 AromaticContact CD2-CZ 3.95Å; W50-F61 HydrophobicContact CD2-CZ 3.95Å; W50-F61 AromaticContact CE2-CD2 3.17Å; W50-F61 AromaticContact CE2-CE2 3.71Å; W50-F61 AromaticContact CE2-CG 3.72Å; W50-F61 AromaticContact CE3-CD2 3.89Å; W50-F61 HydrophobicContact CE3-CD2 3.89Å; W50-F61 AromaticContact CE3-CE2 3.48Å; W50-F61 HydrophobicContact CE3-CE2 3.48Å; W50-F61 VanDerWaalsContact CE3-CE2 3.48Å; W50-F61 HydrophobicContact CE3-CZ 4.07Å; W50-F61 HydrophobicContact CG-CB 4.29Å; W50-F61 AromaticContact CG-CD1 3.8Å; W50-F61 HydrophobicContact CG-CD1 3.8Å; W50-F61 AromaticContact CG-CD2 3.61Å; W50-F61 HydrophobicContact CG-CD2 3.61Å; W50-F61 AromaticContact CG-CE1 3.97Å; W50-F61 HydrophobicContact CG-CE1 3.97Å; W50-F61 AromaticContact CG-CE2 3.77Å; W50-F61 HydrophobicContact CG-CE2 3.77Å; W50-F61 AromaticContact CG-CG 3.61Å; W50-F61 HydrophobicContact CG-CG 3.61Å; W50-F61 AromaticContact CG-CZ 3.95Å; W50-F61 HydrophobicContact CG-CZ 3.95Å; W50-F61 HydrophobicContact CH2-CD2 4.13Å; W50-F61 HydrophobicContact CH2-CE2 4.18Å; W50-F61 AromaticContact CZ2-CD2 3.61Å; W50-F61 HydrophobicContact CZ2-CD2 3.61Å; W50-F61 HydrophobicContact CZ2-CE2 4.1Å; W50-F61 HydrophobicContact CZ2-CG 4.49Å; W50-F61 HydrophobicContact CZ3-CD2 4.26Å; W50-F61 AromaticContact CZ3-CE2 3.89Å; W50-F61 HydrophobicContact CZ3-CE2 3.89Å; W50-F61 AromaticContact NE1-CD2 3.41Å; W50-F61 AromaticContact NE1-CG 3.42Å; W50-V79 PolarHBondContact N-O 2.9Å; W50-A80 HydrophobicContact CB-CB 4.41Å; W50-P81 WeakPolarHBondContact O-CD 3.32Å; W50-S146 CarbonylContact C-O 3.6Å; W50-S146 WeakPolarHBondContact CA-O 2.96Å; W50-H148 HydrophobicContact CH2-CB 3.74Å; W50-H148 HydrophobicContact CZ2-CB 3.52Å; W50-F172 AromaticContact CH2-CD2 3.81Å; W50-F172 HydrophobicContact CH2-CD2 3.81Å; W50-F172 HydrophobicContact CH2-CE2 4.25Å; W50-F172 HydrophobicContact CH2-CG 4.49Å; W50-F172 AromaticContact CZ3-CD2 3.74Å; W50-F172 HydrophobicContact CZ3-CD2 3.74Å; W50-F172 AromaticContact CZ3-CE2 3.86Å; W50-F172 HydrophobicContact CZ3-CE2 3.86Å; W50-I265 HydrophobicContact CH2-CD1 4.31Å; W50-I265 HydrophobicContact CH2-CG2 3.78Å; W50-I265 HydrophobicContact CZ2-CD1 4.31Å; W50-I265 HydrophobicContact CZ2-CG2 4.43Å; W50-I265 HydrophobicContact CZ3-CG2 4.49Å; W50-I269 HydrophobicContact CZ3-CD1 4.16Å
51	L	98.9	Very high	98.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.2	174.1	-58.4	-169.1	0	0	0	110.2	P81 Y106 V124 I145 S146 G147 H148 G151	L51-P81 HydrophobicContact CD2-CG 3.71Å; L51-Y106 HydrophobicContact CB-CE1 4.11Å; L51-Y106 HydrophobicContact CB-CE2 4.17Å; L51-Y106 HydrophobicContact CD1-CD1 3.87Å; L51-Y106 HydrophobicContact CD1-CD2 4.46Å; L51-Y106 HydrophobicContact CD1-CE1 3.86Å; L51-Y106 HydrophobicContact CD1-CE2 4.46Å; L51-Y106 HydrophobicContact CD1-CG 4.17Å; L51-Y106 HydrophobicContact CD2-CD1 4.44Å; L51-Y106 HydrophobicContact CD2-CE1 3.81Å; L51-Y106 HydrophobicContact CG-CE1 4.14Å; L51-V124 HydrophobicContact CD2-CB 4.37Å; L51-V124 HydrophobicContact CD2-CG1 4.03Å; L51-I145 HydrophobicContact CD1-CD1 3.91Å; L51-I145 HydrophobicContact CD1-CG1 4.45Å; L51-I145 HydrophobicContact CG-CD1 4.18Å; L51-I145 HydrophobicContact CG-CG1 4.34Å; L51-S146 PolarHBondContact N-O 3.2Å; L51-G147 CarbonylContact O-C 3.58Å; L51-G147 WeakPolarHBondContact O-CA 3.36Å; L51-H148 PolarHBondContact O-N 3.24Å; L51-G151 WeakPolarHBondContact CB-O 3.48Å; L51-G151 WeakPolarHBondContact O-CA 3.34Å
52	S	98.9	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.			trans	-86.8	161.7	-178.4	-68.3	0	0	0	0	113	W50 Y106 G151	W50-S52 PolarHBondContact NE1-OG 3.45Å; S52-Y106 PolarHBondContact N-OH 2.94Å; S52-Y106 PolarHBondContact O-OH 2.85Å; S52-G151 WeakPolarHBondContact O-CA 3.46Å; S52-G151 PolarHBondContact O-N 3.35Å
53	G	98.6	Very high	98.6	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	16%	0.157	C	C	.	.			trans	-80	-174.7	178.1	0	0	0	0	0	113.8	C56 T83 H148	G53-C56 WeakPolarHBondContact O-CB 3.24Å; G53-C56 PolarHBondContact O-N 3.46Å; G53-T83 WeakPolarHBondContact O-CG2 3.49Å; G53-H148 VanDerWaalsContact CA-O 3.27Å; G53-H148 WeakPolarHBondContact CA-O 3.43Å; G53-H148 PolarHBondContact N-O 3.37Å
54	L	98.6	Very high	98.7	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.089	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	147.4	174.2	-68	169.7	0	0	0	111.7	C56 W97 D98 G102 A103 F105 M150 W183	L54-C56 PolarHBondContact O-N 3.02Å; L54-W97 HydrophobicContact CB-CE3 4.44Å; L54-W97 HydrophobicContact CB-CZ3 4.32Å; L54-W97 HydrophobicContact CD1-CE3 4.23Å; L54-W97 HydrophobicContact CD1-CH2 4.41Å; L54-W97 HydrophobicContact CD1-CZ3 3.59Å; L54-D98 HydrophobicContact CD1-CB 4.49Å; L54-G102 CarbonylContact C-O 3.57Å; L54-G102 WeakPolarHBondContact CA-O 3.44Å; L54-A103 HydrophobicContact CD2-CB 3.44Å; L54-A103 VanDerWaalsContact CD2-CB 3.44Å; L54-F105 HydrophobicContact CD2-CE2 3.84Å; L54-F105 HydrophobicContact CD2-CZ 4.35Å; L54-M150 HydrophobicContact CD2-SD 3.64Å; L54-M150 HydrophobicContact CG-CB 4.23Å; L54-M150 HydrophobicContact CG-SD 4.31Å; L54-W183 HydrophobicContact CD1-CD2 4.17Å; L54-W183 HydrophobicContact CD1-CE3 4.17Å; L54-W183 HydrophobicContact CD1-CZ3 4.32Å
55	T	98.4	Very high	98.7	Very high	86 Å²	86	23.3 Å²	23.3	53%	0.528	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	-0.8	177.5	86.6	0	0	0	0	116.1	W97 G102	T55-W97 HydrophobicContact CG2-CB 4.07Å; T55-W97 HydrophobicContact CG2-CE3 4.03Å; T55-G102 PolarHBondContact N-O 3.37Å
56	C	98.8	Very high	98.7	Very high	7 Å²	7	24.5 Å²	24.5	5%	0.047	14%	0.138	C	C	.	.			trans	-75.8	167.7	180	-70.4	0	0	0	0	111.6	G53 L54 N60 T83 R86	G53-C56 WeakPolarHBondContact O-CB 3.24Å; G53-C56 PolarHBondContact O-N 3.46Å; L54-C56 PolarHBondContact O-N 3.02Å; C56-N60 HydrophobicContact CB-CB 4.14Å; C56-T83 HydrophobicContact CB-CG2 4.06Å; C56-T83 PolarHBondContact O-OG1 3.34Å; C56-R86 PolarHBondContact O-NH2 3.25Å
57	T	98.9	Very high	98.7	Very high	40 Å²	40	24.5 Å²	24.5	25%	0.245	14%	0.139	C	C	.	.			trans	-125.4	-169.3	161.7	77.9	0	0	0	0	109.5	Q59 N60 D82	T57-Q59 PolarHBondContact O-N 3.2Å; T57-Q59 VanDerWaalsContact O-N 3.13Å; T57-Q59 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q59 PolarHBondContact OG1-N 2.88Å; T57-Q59 VanDerWaalsContact OG1-N 3.11Å; T57-N60 PolarHBondContact N-OD1 2.99Å; T57-N60 VanDerWaalsContact N-OD1 3.13Å; T57-D82 WeakPolarHBondContact CA-OD1 3.38Å
58	E	98.8	Very high	98.7	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-13.3	170.3	84.2	-65.3	171.1	0	0	113.5	V18 K31 A33 A80	V18-E58 HydrophobicContact CG1-CG 4.01Å; K31-E58 HydrophobicContact CB-CG 4.22Å; A33-E58 HydrophobicContact CB-CB 4.18Å; A33-E58 HydrophobicContact CB-CG 4.22Å; E58-A80 WeakPolarHBondContact CB-O 3.45Å
59	Q	98.9	Very high	98.7	Very high	68 Å²	68	31.1 Å²	31.1	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-85.2	-36.2	-175.7	-64.4	-60.5	-37.9	0	0	114.4	T57 F61 I62 T63	T57-Q59 PolarHBondContact O-N 3.2Å; T57-Q59 VanDerWaalsContact O-N 3.13Å; T57-Q59 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q59 PolarHBondContact OG1-N 2.88Å; T57-Q59 VanDerWaalsContact OG1-N 3.11Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 3.33Å; Q59-I62 WeakPolarHBondContact O-CG1 3.5Å; Q59-I62 PolarHBondContact O-N 3.16Å; Q59-T63 PolarHBondContact O-N 3.42Å; Q59-T63 VanDerWaalsContact O-N 3.15Å; Q59-T63 PolarHBondContact O-OG1 2.81Å
60	N	98.8	Very high	98.7	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-46.9	-167.5	-68.3	55.8	0	0	0	112	C56 T57 T63 K64 Y262	C56-N60 HydrophobicContact CB-CB 4.14Å; T57-N60 PolarHBondContact N-OD1 2.99Å; T57-N60 VanDerWaalsContact N-OD1 3.13Å; N60-T63 PolarHBondContact O-OG1 2.62Å; N60-K64 PolarHBondContact ND2-NZ 3.45Å; N60-K64 VanDerWaalsContact O-CB 3.29Å; N60-K64 WeakPolarHBondContact O-CB 3.44Å; N60-K64 WeakPolarHBondContact O-CE 3.35Å; N60-K64 PolarHBondContact O-N 3.12Å; N60-K64 VanDerWaalsContact O-N 3.16Å; N60-Y262 HydrophobicContact CB-CE2 3.87Å
61	F	98.9	Very high	98.7	Very high	3 Å²	3	31 Å²	31	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-68	-49.1	-178.7	173.9	-103.9	0	0	0	112.3	W50 Q59 T63 K64 A65 S67 V78 A80 Y262 I269	W50-F61 HydrophobicContact CB-CD1 4.14Å; W50-F61 HydrophobicContact CB-CE1 4Å; W50-F61 HydrophobicContact CB-CE2 4.44Å; W50-F61 HydrophobicContact CB-CG 4.44Å; W50-F61 HydrophobicContact CB-CZ 4.14Å; W50-F61 AromaticContact CD1-CD1 3.76Å; W50-F61 AromaticContact CD1-CD2 3.64Å; W50-F61 AromaticContact CD1-CG 3.34Å; W50-F61 HydrophobicContact CD2-CD1 4.38Å; W50-F61 AromaticContact CD2-CD2 3.31Å; W50-F61 HydrophobicContact CD2-CD2 3.31Å; W50-F61 HydrophobicContact CD2-CE1 4.43Å; W50-F61 AromaticContact CD2-CE2 3.36Å; W50-F61 HydrophobicContact CD2-CE2 3.36Å; W50-F61 AromaticContact CD2-CG 3.85Å; W50-F61 HydrophobicContact CD2-CG 3.85Å; W50-F61 AromaticContact CD2-CZ 3.95Å; W50-F61 HydrophobicContact CD2-CZ 3.95Å; W50-F61 AromaticContact CE2-CD2 3.17Å; W50-F61 AromaticContact CE2-CE2 3.71Å; W50-F61 AromaticContact CE2-CG 3.72Å; W50-F61 AromaticContact CE3-CD2 3.89Å; W50-F61 HydrophobicContact CE3-CD2 3.89Å; W50-F61 AromaticContact CE3-CE2 3.48Å; W50-F61 HydrophobicContact CE3-CE2 3.48Å; W50-F61 VanDerWaalsContact CE3-CE2 3.48Å; W50-F61 HydrophobicContact CE3-CZ 4.07Å; W50-F61 HydrophobicContact CG-CB 4.29Å; W50-F61 AromaticContact CG-CD1 3.8Å; W50-F61 HydrophobicContact CG-CD1 3.8Å; W50-F61 AromaticContact CG-CD2 3.61Å; W50-F61 HydrophobicContact CG-CD2 3.61Å; W50-F61 AromaticContact CG-CE1 3.97Å; W50-F61 HydrophobicContact CG-CE1 3.97Å; W50-F61 AromaticContact CG-CE2 3.77Å; W50-F61 HydrophobicContact CG-CE2 3.77Å; W50-F61 AromaticContact CG-CG 3.61Å; W50-F61 HydrophobicContact CG-CG 3.61Å; W50-F61 AromaticContact CG-CZ 3.95Å; W50-F61 HydrophobicContact CG-CZ 3.95Å; W50-F61 HydrophobicContact CH2-CD2 4.13Å; W50-F61 HydrophobicContact CH2-CE2 4.18Å; W50-F61 AromaticContact CZ2-CD2 3.61Å; W50-F61 HydrophobicContact CZ2-CD2 3.61Å; W50-F61 HydrophobicContact CZ2-CE2 4.1Å; W50-F61 HydrophobicContact CZ2-CG 4.49Å; W50-F61 HydrophobicContact CZ3-CD2 4.26Å; W50-F61 AromaticContact CZ3-CE2 3.89Å; W50-F61 HydrophobicContact CZ3-CE2 3.89Å; W50-F61 AromaticContact NE1-CD2 3.41Å; W50-F61 AromaticContact NE1-CG 3.42Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 3.33Å; F61-T63 PolarHBondContact O-N 3.21Å; F61-K64 PolarHBondContact O-N 3.16Å; F61-A65 HydrophobicContact CD2-CB 3.36Å; F61-A65 HydrophobicContact CE2-CB 3.43Å; F61-A65 VanDerWaalsContact CE2-CB 3.43Å; F61-A65 HydrophobicContact CG-CB 4.18Å; F61-A65 HydrophobicContact CZ-CB 4.27Å; F61-A65 WeakPolarHBondContact O-CB 3.42Å; F61-A65 PolarHBondContact O-N 3.25Å; F61-S67 WeakPolarHBondContact CE1-OG 3.33Å; F61-S67 WeakPolarHBondContact CZ-OG 3.3Å; F61-V78 HydrophobicContact CE1-CG1 3.68Å; F61-V78 HydrophobicContact CZ-CG1 4.19Å; F61-A80 HydrophobicContact CD1-CB 4.03Å; F61-Y262 HydrophobicContact CB-CE1 4.27Å; F61-Y262 HydrophobicContact CD2-CE1 4.32Å; F61-Y262 PolarHBondContact N-OH 2.85Å; F61-I269 HydrophobicContact CE2-CD1 3.96Å; F61-I269 HydrophobicContact CE2-CG1 4.42Å; F61-I269 HydrophobicContact CZ-CD1 4.37Å
62	I	98.7	Very high	98.7	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.092	18%	0.182	C	C	.	.	H	α-helix	trans	-67.7	-21.8	-173.6	69.3	172.8	0	0	0	113	Q16 V18 A33 Q59 Q68 A80	Q16-I62 HydrophobicContact CG-CB 4.36Å; Q16-I62 HydrophobicContact CG-CD1 4.12Å; V18-I62 HydrophobicContact CG2-CD1 4.07Å; A33-I62 HydrophobicContact CB-CD1 3.76Å; A33-I62 HydrophobicContact CB-CG2 3.61Å; Q59-I62 WeakPolarHBondContact O-CG1 3.5Å; Q59-I62 PolarHBondContact O-N 3.16Å; I62-Q68 PolarHBondContact O-NE2 3.47Å; I62-A80 HydrophobicContact CG2-CB 4.33Å
63	T	98.8	Very high	98.6	Very high	96 Å²	96	39 Å²	39	59%	0.589	21%	0.214	S	C	*	.	H	α-helix	trans	-98.7	-24.9	-179.8	54.3	0	0	0	0	113.8	Q59 N60 F61	Q59-T63 PolarHBondContact O-N 3.42Å; Q59-T63 VanDerWaalsContact O-N 3.15Å; Q59-T63 PolarHBondContact O-OG1 2.81Å; N60-T63 PolarHBondContact O-OG1 2.62Å; F61-T63 PolarHBondContact O-N 3.21Å
64	K	98.8	Very high	98.6	Very high	93 Å²	93	41 Å²	41	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-117.8	-23.1	-170.8	-59.3	-178.5	-71	-173.8	0	115	N60 F61 Y262	N60-K64 PolarHBondContact ND2-NZ 3.45Å; N60-K64 VanDerWaalsContact O-CB 3.29Å; N60-K64 WeakPolarHBondContact O-CB 3.44Å; N60-K64 WeakPolarHBondContact O-CE 3.35Å; N60-K64 PolarHBondContact O-N 3.12Å; N60-K64 VanDerWaalsContact O-N 3.16Å; F61-K64 PolarHBondContact O-N 3.16Å; K64-Y262 HydrophobicContact CB-CD1 3.72Å; K64-Y262 HydrophobicContact CB-CD2 4.48Å; K64-Y262 HydrophobicContact CB-CE1 4.48Å; K64-Y262 HydrophobicContact CB-CG 3.71Å; K64-Y262 HydrophobicContact CD-CD2 4.3Å; K64-Y262 HydrophobicContact CD-CG 4.26Å; K64-Y262 VanDerWaalsContact CE-CD2 3.48Å
65	A	98.4	Very high	98.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-80	-28.1	-175.2	0	0	0	0	0	113.2	F61 S67 Y262 I265 Y266 I269	F61-A65 HydrophobicContact CD2-CB 3.36Å; F61-A65 HydrophobicContact CE2-CB 3.43Å; F61-A65 VanDerWaalsContact CE2-CB 3.43Å; F61-A65 HydrophobicContact CG-CB 4.18Å; F61-A65 HydrophobicContact CZ-CB 4.27Å; F61-A65 WeakPolarHBondContact O-CB 3.42Å; F61-A65 PolarHBondContact O-N 3.25Å; A65-S67 VanDerWaalsContact C-N 3.33Å; A65-S67 PolarHBondContact O-N 3.4Å; A65-Y262 HydrophobicContact CB-CD1 4.18Å; A65-Y262 HydrophobicContact CB-CE1 4.17Å; A65-I265 HydrophobicContact CB-CG2 4.27Å; A65-Y266 WeakPolarHBondContact O-CA 3.31Å; A65-Y266 WeakPolarHBondContact O-CD2 3.49Å; A65-I269 VanDerWaalsContact O-CG2 3.24Å; A65-I269 WeakPolarHBondContact O-CG2 3.47Å
66	G	97.8	Very high	98.6	Very high	25 Å²	25	36.3 Å²	36.3	26%	0.258	20%	0.196	S	C	.	.			trans	70.3	24.9	-179.1	0	0	0	0	0	114.6	Q68	G66-Q68 VanDerWaalsContact C-N 3.29Å; G66-Q68 PolarHBondContact O-N 2.89Å
67	S	98.4	Very high	98.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.4	-174.7	66.9	0	0	0	0	114.8	F61 A65 L69 A70 A71	F61-S67 WeakPolarHBondContact CE1-OG 3.33Å; F61-S67 WeakPolarHBondContact CZ-OG 3.3Å; A65-S67 VanDerWaalsContact C-N 3.33Å; A65-S67 PolarHBondContact O-N 3.4Å; S67-L69 PolarHBondContact O-N 3.35Å; S67-A70 PolarHBondContact O-N 3.17Å; S67-A71 WeakPolarHBondContact O-CB 3.1Å; S67-A71 PolarHBondContact O-N 2.98Å
68	Q	98.7	Very high	98.6	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-35.5	-167.8	-66	87.7	-14.4	0	0	113.3	A12 Y35 I62 G66 A71 A72	A12-Q68 HydrophobicContact CB-CB 4.13Å; Y35-Q68 HydrophobicContact CD2-CB 4.1Å; Y35-Q68 HydrophobicContact CD2-CG 3.56Å; Y35-Q68 HydrophobicContact CE1-CB 4.38Å; Y35-Q68 HydrophobicContact CE2-CB 3.83Å; Y35-Q68 HydrophobicContact CE2-CG 3.77Å; Y35-Q68 HydrophobicContact CG-CB 4.5Å; Y35-Q68 HydrophobicContact CG-CG 3.99Å; I62-Q68 PolarHBondContact O-NE2 3.47Å; G66-Q68 VanDerWaalsContact C-N 3.29Å; G66-Q68 PolarHBondContact O-N 2.89Å; Q68-A71 PolarHBondContact O-N 3.38Å; Q68-A72 VanDerWaalsContact O-CB 3.3Å; Q68-A72 WeakPolarHBondContact O-CB 3.48Å; Q68-A72 PolarHBondContact O-N 3.1Å
69	L	98.5	Very high	98.7	Very high	128 Å²	128	33.7 Å²	33.7	67%	0.67	18%	0.18	S	C	*	.	H	α-helix	trans	-63.4	-50.5	178.8	-75.6	169.3	0	0	0	111.4	A12 S67 A72 E73	A12-L69 HydrophobicContact CB-CD2 3.79Å; A12-L69 HydrophobicContact CB-CG 4.27Å; S67-L69 PolarHBondContact O-N 3.35Å; L69-A72 PolarHBondContact O-N 3.07Å; L69-E73 PolarHBondContact O-N 3.48Å
70	A	98.7	Very high	98.7	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-37.9	177.6	0	0	0	0	0	112	S67 A72 E73 H74 N270 I273	S67-A70 PolarHBondContact O-N 3.17Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.19Å; A70-E73 PolarHBondContact O-N 3.43Å; A70-H74 PolarHBondContact O-CD2 3.45Å; A70-H74 PolarHBondContact O-N 3.35Å; A70-N270 HydrophobicContact CB-CB 4.49Å; A70-N270 WeakPolarHBondContact CB-OD1 3.11Å; A70-I273 HydrophobicContact CB-CB 3.89Å; A70-I273 HydrophobicContact CB-CG1 4.19Å; A70-I273 HydrophobicContact CB-CG2 3.74Å
71	A	98.8	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-39.3	175.9	0	0	0	0	0	112.1	Y35 S67 Q68 G75 I76 V78	Y35-A71 HydrophobicContact CD1-CB 3.78Å; Y35-A71 HydrophobicContact CE1-CB 3.92Å; S67-A71 WeakPolarHBondContact O-CB 3.1Å; S67-A71 PolarHBondContact O-N 2.98Å; Q68-A71 PolarHBondContact O-N 3.38Å; A71-G75 PolarHBondContact O-N 3.19Å; A71-I76 PolarHBondContact O-N 3.15Å; A71-V78 HydrophobicContact CB-CG2 3.71Å
72	A	98.7	Very high	98.7	Very high	24 Å²	24	29 Å²	29	20%	0.198	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-47	173.9	0	0	0	0	0	111.8	A12 Y35 Q68 L69 A70 H74 G75	A12-A72 HydrophobicContact CB-CB 4.09Å; A12-A72 WeakPolarHBondContact O-CB 3.16Å; Y35-A72 HydrophobicContact CE1-CB 4.33Å; Y35-A72 WeakPolarHBondContact OH-CB 3.4Å; Q68-A72 VanDerWaalsContact O-CB 3.3Å; Q68-A72 WeakPolarHBondContact O-CB 3.48Å; Q68-A72 PolarHBondContact O-N 3.1Å; L69-A72 PolarHBondContact O-N 3.07Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.19Å; A72-H74 VanDerWaalsContact C-N 3.29Å; A72-H74 PolarHBondContact O-N 2.87Å; A72-G75 PolarHBondContact O-N 2.96Å
73	E	98.5	Very high	98.7	Very high	144 Å²	144	28.1 Å²	28.1	67%	0.673	15%	0.153	S	C	*	.	H	α-helix	trans	-57.2	-41.9	178.6	-175.9	-180	176.7	0	0	112	L69 A70	L69-E73 PolarHBondContact O-N 3.48Å; A70-E73 PolarHBondContact O-N 3.43Å
74	H	98.6	Very high	98.7	Very high	45 Å²	45	23.6 Å²	23.6	21%	0.208	13%	0.125	C	C	.	.	H	α-helix	trans	-93.1	-1.8	-178	-67.2	-63.5	0	0	0	114.6	A70 A72 I76 K274 A277 N281	A70-H74 PolarHBondContact O-CD2 3.45Å; A70-H74 PolarHBondContact O-N 3.35Å; A72-H74 VanDerWaalsContact C-N 3.29Å; A72-H74 PolarHBondContact O-N 2.87Å; H74-I76 HydrophobicContact CB-CD1 3.8Å; H74-I76 HydrophobicContact CB-CG1 4.02Å; H74-K274 WeakPolarHBondContact NE2-CG 3.43Å; H74-A277 HydrophobicContact CB-CB 3.84Å; H74-N281 PolarHBondContact O-ND2 3.04Å; H74-N281 VanDerWaalsContact O-ND2 3.1Å
75	G	98.3	Very high	98.7	Very high	4 Å²	4	19.1 Å²	19.1	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	42.9	-179.1	0	0	0	0	0	113.4	C45 A71 A72	C45-G75 WeakPolarHBondContact CB-O 3.41Å; A71-G75 PolarHBondContact O-N 3.19Å; A72-G75 PolarHBondContact O-N 2.96Å
76	I	98.8	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.			trans	-108.3	129.5	-177.4	-62.1	173	0	0	0	110	P46 L48 A71 H74 V78 I273 A277 L280	P46-I76 HydrophobicContact CG-CG1 4.19Å; L48-I76 HydrophobicContact CB-CG2 3.79Å; A71-I76 PolarHBondContact O-N 3.15Å; H74-I76 HydrophobicContact CB-CD1 3.8Å; H74-I76 HydrophobicContact CB-CG1 4.02Å; I76-V78 HydrophobicContact CG2-CG2 4.4Å; I76-I273 HydrophobicContact CD1-CG2 4.3Å; I76-A277 HydrophobicContact CD1-CB 3.77Å; I76-L280 HydrophobicContact CD1-CD1 4.23Å; I76-L280 HydrophobicContact CG2-CD1 4.4Å
77	I	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132	167.6	-70.3	169.5	0	0	0	108.2	I34 Y35 L36 P37 A40 C45 P46 V47 L48 V79 S137 T138	I34-I77 HydrophobicContact CD1-CG2 3.75Å; I34-I77 HydrophobicContact CG1-CG2 3.78Å; Y35-I77 WeakPolarHBondContact O-CA 3.33Å; L36-I77 HydrophobicContact CD2-CD1 4.11Å; L36-I77 HydrophobicContact CD2-CG1 4.15Å; L36-I77 HydrophobicContact CD2-CG2 4.42Å; P37-I77 HydrophobicContact CG-CG1 4.37Å; A40-I77 HydrophobicContact CB-CD1 4.3Å; A40-I77 HydrophobicContact CB-CG1 4.4Å; C45-I77 HydrophobicContact CB-CD1 3.81Å; C45-I77 HydrophobicContact CB-CG1 3.81Å; P46-I77 PolarHBondContact O-N 3.08Å; V47-I77 CarbonylContact C-O 3.4Å; V47-I77 WeakPolarHBondContact CA-O 3.43Å; V47-I77 HydrophobicContact CG1-CG2 4.22Å; V47-I77 HydrophobicContact CG2-CB 4.38Å; L48-I77 PolarHBondContact N-O 3.49Å; I77-V79 HydrophobicContact CG2-CG2 4.11Å; I77-S137 WeakPolarHBondContact CD1-O 3.42Å; I77-T138 HydrophobicContact CD1-CG2 3.53Å
78	V	98.9	Very high	98.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	176.8	-173	0	0	0	0	109.8	I34 Y35 L48 F61 A71 I76	I34-V78 CarbonylContact C-O 3.58Å; I34-V78 VanDerWaalsContact CA-O 3.32Å; I34-V78 WeakPolarHBondContact CA-O 3.48Å; Y35-V78 PolarHBondContact N-O 2.83Å; Y35-V78 PolarHBondContact O-N 2.9Å; L48-V78 WeakPolarHBondContact O-CA 3.42Å; F61-V78 HydrophobicContact CE1-CG1 3.68Å; F61-V78 HydrophobicContact CZ-CG1 4.19Å; A71-V78 HydrophobicContact CB-CG2 3.71Å; I76-V78 HydrophobicContact CG2-CG2 4.4Å
79	V	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.2	179.3	-179.5	0	0	0	0	109.4	F32 A33 I34 V47 L48 Y49 W50 I77 L128 I132	F32-V79 HydrophobicContact CD2-CG1 4.28Å; A33-V79 WeakPolarHBondContact O-CA 3.41Å; I34-V79 HydrophobicContact CD1-CG2 4.21Å; I34-V79 HydrophobicContact CG1-CG2 4.13Å; V47-V79 HydrophobicContact CG1-CB 4.48Å; V47-V79 HydrophobicContact CG1-CG2 3.74Å; L48-V79 PolarHBondContact O-N 3.19Å; Y49-V79 CarbonylContact C-O 3.34Å; Y49-V79 WeakPolarHBondContact CA-O 3.25Å; Y49-V79 HydrophobicContact CD1-CB 3.87Å; Y49-V79 HydrophobicContact CD1-CG1 3.96Å; Y49-V79 HydrophobicContact CE1-CB 3.87Å; Y49-V79 HydrophobicContact CE1-CG1 3.81Å; Y49-V79 HydrophobicContact CE1-CG2 4.28Å; W50-V79 PolarHBondContact N-O 2.9Å; I77-V79 HydrophobicContact CG2-CG2 4.11Å; V79-L128 HydrophobicContact CG1-CD2 4.09Å; V79-I132 HydrophobicContact CG1-CD1 4.05Å; V79-I132 HydrophobicContact CG1-CG1 4.22Å; V79-I132 HydrophobicContact CG2-CD1 3.97Å; V79-I132 HydrophobicContact CG2-CG1 4.13Å; V79-I132 HydrophobicContact CG2-CG2 4.25Å
80	A	98.9	Very high	98.5	Very high	1 Å²	1	27 Å²	27	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	97.4	177.4	0	0	0	0	0	110	A33 W50 E58 F61 I62	A33-A80 HydrophobicContact CB-CB 4.4Å; A33-A80 PolarHBondContact N-O 2.97Å; A33-A80 PolarHBondContact O-N 3.17Å; W50-A80 HydrophobicContact CB-CB 4.41Å; E58-A80 WeakPolarHBondContact CB-O 3.45Å; F61-A80 HydrophobicContact CD1-CB 4.03Å; I62-A80 HydrophobicContact CG2-CB 4.33Å
81	P	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	165	171.2	28.2	-35.9	0	0	0	112.8	W50 L51 Y123 V124 L128	W50-P81 WeakPolarHBondContact O-CD 3.32Å; L51-P81 HydrophobicContact CD2-CG 3.71Å; P81-Y123 HydrophobicContact CB-CE1 3.96Å; P81-V124 HydrophobicContact CG-CG1 4.25Å; P81-L128 HydrophobicContact CB-CD2 3.7Å; P81-L128 HydrophobicContact CG-CD2 3.97Å
82	D	98.9	Very high	98.4	Very high	6 Å²	6	36 Å²	36	3%	0.032	20%	0.203	C	C	.	.			trans	-66.2	170.3	161.3	-154.2	-12.5	0	0	0	111.6	M30 K31 T57 R86 M120	M30-D82 HydrophobicContact CE-CB 3.87Å; K31-D82 PolarHBondContact O-N 2.86Å; T57-D82 WeakPolarHBondContact CA-OD1 3.38Å; D82-R86 IonicContact OD1-CZ 2.79Å; D82-R86 IonicContact OD1-NE 3.3Å; D82-R86 PolarHBondContact OD1-NE 2.86Å; D82-R86 IonicContact OD1-NH2 2.85Å; D82-R86 PolarHBondContact OD1-NH2 3.31Å; D82-R86 VanDerWaalsContact OD2-CG 3.28Å; D82-R86 WeakPolarHBondContact OD2-CG 3.32Å; D82-R86 IonicContact OD2-CZ 2.81Å; D82-R86 IonicContact OD2-NE 3.98Å; D82-R86 PolarHBondContact OD2-NE 2.83Å; D82-R86 IonicContact OD2-NH2 2.71Å; D82-M120 WeakPolarHBondContact O-CE 3.24Å
83	T	98.8	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-101.6	-10	-169.9	54.1	0	0	0	0	114.6	G53 C56 R86 G102 G104 M150	G53-T83 WeakPolarHBondContact O-CG2 3.49Å; C56-T83 HydrophobicContact CB-CG2 4.06Å; C56-T83 PolarHBondContact O-OG1 3.34Å; T83-R86 PolarHBondContact OG1-NH2 3.06Å; T83-G102 WeakPolarHBondContact OG1-CA 3.35Å; T83-G104 WeakPolarHBondContact O-CA 3.34Å; T83-G104 PolarHBondContact O-N 2.73Å; T83-G104 VanDerWaalsContact O-N 3.15Å; T83-M150 HydrophobicContact CG2-CE 4.08Å
84	S	98.9	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-158.1	164.7	179.7	67.9	0	0	0	0	110	M30 G102	M30-S84 WeakPolarHBondContact CE-O 3.5Å; S84-G102 PolarHBondContact OG-N 3.08Å
85	P	98.8	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.			trans	-52.9	156.8	157.4	27.1	-37.4	0	0	0	111.4	L26 N117 Y118	L26-P85 HydrophobicContact CB-CB 4.39Å; P85-N117 HydrophobicContact CB-CB 4.03Å; P85-N117 HydrophobicContact CG-CB 4Å; P85-Y118 HydrophobicContact CG-CD1 4.09Å; P85-Y118 HydrophobicContact CG-CD2 3.79Å; P85-Y118 HydrophobicContact CG-CE1 3.98Å; P85-Y118 HydrophobicContact CG-CE2 3.66Å; P85-Y118 HydrophobicContact CG-CG 3.98Å
86	R	98.5	Very high	98.1	Very high	66 Å²	66	41 Å²	41	25%	0.249	23%	0.23	C	C	.	.			trans	-134.4	142.9	-178.2	-62.1	-64.9	-174.6	179.1	-6.9	111.1	C56 D82 T83 C88	C56-R86 PolarHBondContact O-NH2 3.25Å; D82-R86 IonicContact OD1-CZ 2.79Å; D82-R86 IonicContact OD1-NE 3.3Å; D82-R86 PolarHBondContact OD1-NE 2.86Å; D82-R86 IonicContact OD1-NH2 2.85Å; D82-R86 PolarHBondContact OD1-NH2 3.31Å; D82-R86 VanDerWaalsContact OD2-CG 3.28Å; D82-R86 WeakPolarHBondContact OD2-CG 3.32Å; D82-R86 IonicContact OD2-CZ 2.81Å; D82-R86 IonicContact OD2-NE 3.98Å; D82-R86 PolarHBondContact OD2-NE 2.83Å; D82-R86 IonicContact OD2-NH2 2.71Å; T83-R86 PolarHBondContact OG1-NH2 3.06Å; R86-C88 VanDerWaalsContact C-N 3.32Å; R86-C88 PolarHBondContact O-N 3.32Å
87	G	97.7	Very high	98	Very high	70 Å²	70	47.2 Å²	47.2	72%	0.722	25%	0.253	S	S	*	.	S	Bend	trans	66.2	32.2	174.8	0	0	0	0	0	113.7
88	C	97.6	Very high	97.9	Very high	30 Å²	30	48.1 Å²	48.1	20%	0.203	26%	0.258	C	S	.	.			trans	-85.7	-20.1	-179.8	-65.6	0	0	0	0	112.7	R86 I90 N117	R86-C88 VanDerWaalsContact C-N 3.32Å; R86-C88 PolarHBondContact O-N 3.32Å; C88-I90 HydrophobicContact CB-CD1 3.7Å; C88-I90 HydrophobicContact CB-CG1 3.87Å; C88-I90 PolarHBondContact O-N 2.93Å; C88-N117 PolarHBondContact SG-ND2 3.2Å
89	N	97.3	Very high	97.9	Very high	144 Å²	144	49.1 Å²	49.1	77%	0.77	26%	0.262	S	S	*	.			trans	54	40.4	-177.9	-62.1	3.8	0	0	0	112.2	E93	N89-E93 WeakPolarHBondContact CA-OE1 3.23Å; N89-E93 PolarHBondContact N-OE1 2.84Å
90	I	97.9	Very high	97.9	Very high	24 Å²	24	49.1 Å²	49.1	12%	0.123	26%	0.262	C	S	.	.			trans	-78.6	130.2	175.8	-65.7	162.6	0	0	0	108.7	C88 G92 E93 P113 W114 N117 Y118	C88-I90 HydrophobicContact CB-CD1 3.7Å; C88-I90 HydrophobicContact CB-CG1 3.87Å; C88-I90 PolarHBondContact O-N 2.93Å; I90-G92 PolarHBondContact O-N 3.4Å; I90-E93 HydrophobicContact CB-CB 4.11Å; I90-E93 HydrophobicContact CB-CG 4.25Å; I90-E93 PolarHBondContact N-OE1 2.79Å; I90-E93 WeakPolarHBondContact O-CB 3.38Å; I90-E93 VanDerWaalsContact O-CG 3.31Å; I90-E93 WeakPolarHBondContact O-CG 3.35Å; I90-E93 PolarHBondContact O-N 2.85Å; I90-E93 VanDerWaalsContact O-N 3.09Å; I90-P113 HydrophobicContact CG2-CB 3.78Å; I90-P113 HydrophobicContact CG2-CG 3.47Å; I90-P113 VanDerWaalsContact CG2-CG 3.47Å; I90-W114 HydrophobicContact CB-CZ3 4.45Å; I90-W114 HydrophobicContact CG2-CE3 3.99Å; I90-W114 HydrophobicContact CG2-CH2 4.07Å; I90-W114 HydrophobicContact CG2-CZ3 3.6Å; I90-N117 HydrophobicContact CD1-CB 4.03Å; I90-Y118 HydrophobicContact CD1-CD2 4.23Å; I90-Y118 HydrophobicContact CD1-CE2 3.81Å
91	E	97.9	Very high	97.9	Very high	174 Å²	174	50.6 Å²	50.6	81%	0.813	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	129.6	176.1	-172	176.6	-179.6	0	0	110.9	W114	E91-W114 WeakPolarHBondContact O-CH2 3.44Å
92	G	96.7	Very high	97.9	Very high	19 Å²	19	50.6 Å²	50.6	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-9.4	-177.6	0	0	0	0	0	115.9	I90 D94	I90-G92 PolarHBondContact O-N 3.4Å; G92-D94 VanDerWaalsContact C-N 3.32Å; G92-D94 PolarHBondContact O-N 3.05Å
93	E	96.9	Very high	97.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22	-171.9	86.2	175.8	141.6	0	0	114.9	N89 I90 G100 T101 W114 Y118	N89-E93 WeakPolarHBondContact CA-OE1 3.23Å; N89-E93 PolarHBondContact N-OE1 2.84Å; I90-E93 HydrophobicContact CB-CB 4.11Å; I90-E93 HydrophobicContact CB-CG 4.25Å; I90-E93 PolarHBondContact N-OE1 2.79Å; I90-E93 WeakPolarHBondContact O-CB 3.38Å; I90-E93 VanDerWaalsContact O-CG 3.31Å; I90-E93 WeakPolarHBondContact O-CG 3.35Å; I90-E93 PolarHBondContact O-N 2.85Å; I90-E93 VanDerWaalsContact O-N 3.09Å; E93-G100 CarbonylContact O-C 3.57Å; E93-G100 WeakPolarHBondContact O-CA 3.2Å; E93-T101 WeakPolarHBondContact CG-OG1 3.32Å; E93-T101 PolarHBondContact O-N 2.81Å; E93-T101 PolarHBondContact O-OG1 2.86Å; E93-W114 HydrophobicContact CB-CH2 4.4Å; E93-W114 HydrophobicContact CB-CZ3 3.79Å; E93-Y118 PolarHBondContact OE2-OH 3.21Å
94	D	97	Very high	97.9	Very high	118 Å²	118	50.3 Å²	50.3	63%	0.631	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	8.4	-177.9	-63.3	-40.9	0	0	0	112.9	G92 T101	G92-D94 VanDerWaalsContact C-N 3.32Å; G92-D94 PolarHBondContact O-N 3.05Å; D94-T101 WeakPolarHBondContact OD1-CB 3.41Å; D94-T101 PolarHBondContact OD1-OG1 3.35Å
95	E	96.1	Very high	97.9	Very high	163 Å²	163	50.3 Å²	50.3	76%	0.762	27%	0.27	S	S	*	.	S	Bend	trans	-78.8	-27.2	-174.5	-69.6	-176.5	179	0	0	113.9
96	S	96.9	Very high	97.9	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-141.5	143.4	-173.3	-163.5	0	0	0	0	111.4	D98 K186	S96-D98 VanDerWaalsContact C-N 3.29Å; S96-D98 WeakPolarHBondContact CB-OD1 3.05Å; S96-D98 PolarHBondContact O-N 3.33Å; S96-D98 PolarHBondContact OG-OD1 2.91Å; S96-K186 PolarHBondContact OG-NZ 2.9Å; S96-K186 VanDerWaalsContact OG-NZ 3.11Å
97	W	97.7	Very high	97.9	Very high	130 Å²	130	47.2 Å²	47.2	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.8	-176.7	65.9	-88.6	0	0	0	113.9	L54 T55 W183	L54-W97 HydrophobicContact CB-CE3 4.44Å; L54-W97 HydrophobicContact CB-CZ3 4.32Å; L54-W97 HydrophobicContact CD1-CE3 4.23Å; L54-W97 HydrophobicContact CD1-CH2 4.41Å; L54-W97 HydrophobicContact CD1-CZ3 3.59Å; T55-W97 HydrophobicContact CG2-CB 4.07Å; T55-W97 HydrophobicContact CG2-CE3 4.03Å; W97-W183 AromaticContact CH2-CE2 3.69Å; W97-W183 HydrophobicContact CH2-CH2 4.46Å; W97-W183 AromaticContact CH2-CZ2 3.5Å; W97-W183 HydrophobicContact CH2-CZ2 3.5Å; W97-W183 AromaticContact CH2-NE1 3.57Å; W97-W183 HydrophobicContact CZ3-CZ2 4.18Å
98	D	97.8	Very high	98	Very high	19 Å²	19	45 Å²	45	10%	0.102	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8.3	-177	65.3	-10.7	0	0	0	113.1	L54 S96 K186	L54-D98 HydrophobicContact CD1-CB 4.49Å; S96-D98 VanDerWaalsContact C-N 3.29Å; S96-D98 WeakPolarHBondContact CB-OD1 3.05Å; S96-D98 PolarHBondContact O-N 3.33Å; S96-D98 PolarHBondContact OG-OD1 2.91Å; D98-K186 VanDerWaalsContact CG-NZ 3.32Å; D98-K186 IonicContact OD1-NZ 3.4Å; D98-K186 PolarHBondContact OD1-NZ 2.71Å; D98-K186 IonicContact OD2-NZ 3.47Å; D98-K186 PolarHBondContact OD2-NZ 2.85Å
99	F	98.8	Very high	98	Very high	26 Å²	26	43.7 Å²	43.7	11%	0.114	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-155.8	139.6	178	-174.9	-100.8	0	0	0	111.1	W114 Y191	F99-W114 HydrophobicContact CE1-CD2 4.32Å; F99-W114 AromaticContact CE1-CE2 3.72Å; F99-W114 AromaticContact CE1-CH2 3.63Å; F99-W114 HydrophobicContact CE1-CH2 3.63Å; F99-W114 AromaticContact CE1-CZ2 3.39Å; F99-W114 HydrophobicContact CE1-CZ2 3.39Å; F99-W114 HydrophobicContact CE1-CZ3 4.18Å; F99-W114 HydrophobicContact CZ-CD2 4.1Å; F99-W114 AromaticContact CZ-CE2 3.65Å; F99-W114 HydrophobicContact CZ-CH2 4.35Å; F99-W114 AromaticContact CZ-CZ2 3.83Å; F99-W114 HydrophobicContact CZ-CZ2 3.83Å; F99-W114 AromaticContact CZ-NE1 3.85Å; F99-Y191 HydrophobicContact CD2-CE1 4.45Å; F99-Y191 AromaticContact CD2-CE2 3.96Å; F99-Y191 HydrophobicContact CD2-CE2 3.96Å; F99-Y191 AromaticContact CD2-CZ 3.88Å; F99-Y191 AromaticContact CE2-CD1 3.94Å; F99-Y191 HydrophobicContact CE2-CD1 3.94Å; F99-Y191 AromaticContact CE2-CD2 3.97Å; F99-Y191 HydrophobicContact CE2-CD2 3.97Å; F99-Y191 AromaticContact CE2-CE1 3.62Å; F99-Y191 HydrophobicContact CE2-CE1 3.62Å; F99-Y191 AromaticContact CE2-CE2 3.66Å; F99-Y191 HydrophobicContact CE2-CE2 3.66Å; F99-Y191 HydrophobicContact CE2-CG 4.1Å; F99-Y191 AromaticContact CE2-CZ 3.47Å; F99-Y191 VanDerWaalsContact CE2-CZ 3.47Å; F99-Y191 HydrophobicContact CZ-CD1 4.05Å; F99-Y191 AromaticContact CZ-CE1 3.67Å; F99-Y191 HydrophobicContact CZ-CE1 3.67Å; F99-Y191 AromaticContact CZ-CZ 3.94Å
100	G	98.6	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	87.2	-132.5	-178.1	0	0	0	0	0	112.9	E93 G102 A103 Y118 Y191	E93-G100 CarbonylContact O-C 3.57Å; E93-G100 WeakPolarHBondContact O-CA 3.2Å; G100-G102 PolarHBondContact O-N 3.16Å; G100-A103 CarbonylContact O-C 3.38Å; G100-A103 WeakPolarHBondContact O-CA 3.47Å; G100-A103 PolarHBondContact O-N 3.03Å; G100-Y118 WeakPolarHBondContact CA-OH 3.32Å; G100-Y118 WeakPolarHBondContact O-CE1 3.25Å; G100-Y191 VanDerWaalsContact CA-OH 3.28Å; G100-Y191 WeakPolarHBondContact CA-OH 3.37Å; G100-Y191 PolarHBondContact N-OH 2.93Å
101	T	98.8	Very high	98.1	Very high	31 Å²	31	42.9 Å²	42.9	19%	0.19	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	122.1	-176.3	-65.1	0	0	0	0	110.9	E93 D94 A103 Y118	E93-T101 WeakPolarHBondContact CG-OG1 3.32Å; E93-T101 PolarHBondContact O-N 2.81Å; E93-T101 PolarHBondContact O-OG1 2.86Å; D94-T101 WeakPolarHBondContact OD1-CB 3.41Å; D94-T101 PolarHBondContact OD1-OG1 3.35Å; T101-A103 VanDerWaalsContact C-N 3.33Å; T101-Y118 PolarHBondContact N-OH 2.96Å
102	G	98.6	Very high	98.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	2.8	-172.9	0	0	0	0	0	114.7	L54 T55 T83 S84 G100	L54-G102 CarbonylContact C-O 3.57Å; L54-G102 WeakPolarHBondContact CA-O 3.44Å; T55-G102 PolarHBondContact N-O 3.37Å; T83-G102 WeakPolarHBondContact OG1-CA 3.35Å; S84-G102 PolarHBondContact OG-N 3.08Å; G100-G102 PolarHBondContact O-N 3.16Å
103	A	98.8	Very high	98.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-143.9	46.1	-170.4	0	0	0	0	0	112.8	L54 G100 T101 F105 Y191	L54-A103 HydrophobicContact CD2-CB 3.44Å; L54-A103 VanDerWaalsContact CD2-CB 3.44Å; G100-A103 CarbonylContact O-C 3.38Å; G100-A103 WeakPolarHBondContact O-CA 3.47Å; G100-A103 PolarHBondContact O-N 3.03Å; T101-A103 VanDerWaalsContact C-N 3.33Å; A103-F105 WeakPolarHBondContact O-CD2 3.33Å; A103-F105 PolarHBondContact O-N 3.49Å; A103-Y191 WeakPolarHBondContact O-CE2 3.36Å; A103-Y191 PolarHBondContact O-OH 3.08Å; A103-Y191 VanDerWaalsContact O-OH 3.06Å
104	G	98.8	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.			trans	-73	-4.7	-177.5	0	0	0	0	0	115.8	T83 Y106 V107	T83-G104 WeakPolarHBondContact O-CA 3.34Å; T83-G104 PolarHBondContact O-N 2.73Å; T83-G104 VanDerWaalsContact O-N 3.15Å; G104-Y106 PolarHBondContact O-N 2.85Å; G104-V107 PolarHBondContact O-N 2.93Å
105	F	98.9	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	10.6	179.3	-88.3	-99.4	0	0	0	116.8	L54 A103 V107 M150 H153 I175 W183 A187 F188 Y191	L54-F105 HydrophobicContact CD2-CE2 3.84Å; L54-F105 HydrophobicContact CD2-CZ 4.35Å; A103-F105 WeakPolarHBondContact O-CD2 3.33Å; A103-F105 PolarHBondContact O-N 3.49Å; F105-V107 HydrophobicContact CB-CG1 4.34Å; F105-V107 PolarHBondContact O-N 2.8Å; F105-M150 HydrophobicContact CD1-CG 4.32Å; F105-M150 HydrophobicContact CD2-CG 4.41Å; F105-M150 HydrophobicContact CD2-SD 3.86Å; F105-M150 HydrophobicContact CE2-SD 4.19Å; F105-M150 HydrophobicContact CG-CG 4.23Å; F105-M150 HydrophobicContact CG-SD 4.17Å; F105-M150 PolarHBondContact N-SD 3.4Å; F105-M150 VanDerWaalsContact N-SD 3.36Å; F105-H153 PolarHBondContact O-CD2 2.92Å; F105-I175 HydrophobicContact CE1-CD1 4.2Å; F105-W183 HydrophobicContact CZ-CB 4.07Å; F105-A187 HydrophobicContact CB-CB 4.32Å; F105-A187 HydrophobicContact CD1-CB 3.87Å; F105-A187 HydrophobicContact CD2-CB 3.34Å; F105-A187 HydrophobicContact CE1-CB 3.98Å; F105-A187 HydrophobicContact CE2-CB 3.47Å; F105-A187 VanDerWaalsContact CE2-CB 3.47Å; F105-A187 HydrophobicContact CG-CB 3.56Å; F105-A187 HydrophobicContact CZ-CB 3.8Å; F105-F188 HydrophobicContact CD1-CE1 4.48Å; F105-Y191 HydrophobicContact CB-CE2 4.5Å; F105-Y191 HydrophobicContact CD2-CE2 4.49Å
106	Y	98.9	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.3	-177.4	-56.9	-76.7	0	0	0	113.5	L51 S52 G104 M120 Y121 V124 M150 G151	L51-Y106 HydrophobicContact CB-CE1 4.11Å; L51-Y106 HydrophobicContact CB-CE2 4.17Å; L51-Y106 HydrophobicContact CD1-CD1 3.87Å; L51-Y106 HydrophobicContact CD1-CD2 4.46Å; L51-Y106 HydrophobicContact CD1-CE1 3.86Å; L51-Y106 HydrophobicContact CD1-CE2 4.46Å; L51-Y106 HydrophobicContact CD1-CG 4.17Å; L51-Y106 HydrophobicContact CD2-CD1 4.44Å; L51-Y106 HydrophobicContact CD2-CE1 3.81Å; L51-Y106 HydrophobicContact CG-CE1 4.14Å; S52-Y106 PolarHBondContact N-OH 2.94Å; S52-Y106 PolarHBondContact O-OH 2.85Å; G104-Y106 PolarHBondContact O-N 2.85Å; Y106-M120 HydrophobicContact CD1-CB 4.46Å; Y106-M120 HydrophobicContact CE1-CE 4.39Å; Y106-Y121 VanDerWaalsContact O-CB 3.32Å; Y106-Y121 WeakPolarHBondContact O-CB 3.5Å; Y106-V124 HydrophobicContact CD1-CG1 4.03Å; Y106-V124 HydrophobicContact CD1-CG2 4.33Å; Y106-V124 HydrophobicContact CE1-CG1 4.1Å; Y106-M150 HydrophobicContact CD2-CG 4.11Å; Y106-M150 VanDerWaalsContact CD2-O 3.28Å; Y106-M150 WeakPolarHBondContact CD2-O 3.4Å; Y106-M150 HydrophobicContact CE2-CE 3.83Å; Y106-M150 HydrophobicContact CE2-CG 4.04Å; Y106-M150 WeakPolarHBondContact CE2-O 3.34Å; Y106-G151 VanDerWaalsContact CE2-CA 3.45Å
107	V	98.9	Very high	98.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.			trans	-104.9	167.6	174	-57.1	0	0	0	0	111.4	G104 F105 R119 M120 Y121 F188 Y191 L192 Y202	G104-V107 PolarHBondContact O-N 2.93Å; F105-V107 HydrophobicContact CB-CG1 4.34Å; F105-V107 PolarHBondContact O-N 2.8Å; V107-R119 CarbonylContact O-C 3.57Å; V107-M120 PolarHBondContact O-N 3.16Å; V107-Y121 PolarHBondContact O-N 2.89Å; V107-Y121 VanDerWaalsContact O-N 3.13Å; V107-F188 HydrophobicContact CG1-CD1 4.33Å; V107-F188 HydrophobicContact CG1-CE1 3.79Å; V107-Y191 HydrophobicContact CG2-CD2 3.98Å; V107-Y191 HydrophobicContact CG2-CG 4.16Å; V107-L192 HydrophobicContact CB-CD2 4.45Å; V107-L192 HydrophobicContact CG2-CD2 4.5Å; V107-Y202 HydrophobicContact CB-CD1 4.02Å; V107-Y202 HydrophobicContact CB-CD2 4.46Å; V107-Y202 HydrophobicContact CB-CE1 4.03Å; V107-Y202 HydrophobicContact CB-CE2 4.44Å; V107-Y202 HydrophobicContact CB-CG 4.24Å; V107-Y202 HydrophobicContact CG1-CD1 3.69Å; V107-Y202 HydrophobicContact CG1-CD2 4.18Å; V107-Y202 HydrophobicContact CG1-CE1 4.23Å; V107-Y202 HydrophobicContact CG1-CG 3.66Å
108	N	98.9	Very high	98.7	Very high	23 Å²	23	31.7 Å²	31.7	12%	0.123	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-99.9	105.7	157	-72.3	-21.2	0	0	0	108.5	R119 S122 L192 Y202	N108-R119 VanDerWaalsContact OD1-CA 3.24Å; N108-R119 WeakPolarHBondContact OD1-CA 3.38Å; N108-R119 PolarHBondContact OD1-O 2.97Å; N108-S122 PolarHBondContact ND2-OG 3.48Å; N108-S122 PolarHBondContact OD1-N 2.94Å; N108-L192 WeakPolarHBondContact O-CD2 3.35Å; N108-Y202 WeakPolarHBondContact CB-OH 3.39Å; N108-Y202 PolarHBondContact N-OH 3.25Å
109	A	98.8	Very high	98.7	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	18%	0.178	C	C	.	.			trans	-60.3	142.7	177.3	0	0	0	0	0	111.3	W114 Y118 Y191	A109-W114 HydrophobicContact CB-CB 3.71Å; A109-Y118 WeakPolarHBondContact CB-O 3.29Å; A109-Y118 PolarHBondContact N-O 3.37Å; A109-Y191 CarbonylContact C-O 3.53Å; A109-Y191 WeakPolarHBondContact CA-O 3.38Å; A109-Y191 HydrophobicContact CB-CD1 3.93Å; A109-Y191 HydrophobicContact CB-CG 4.22Å
110	T	98.7	Very high	98.7	Very high	72 Å²	72	33.1 Å²	33.1	44%	0.442	17%	0.173	S	C	.	.			trans	-114.6	-18.3	178.1	60.2	0	0	0	0	112.6	Y191 L192	T110-Y191 PolarHBondContact N-O 3.25Å; T110-L192 PolarHBondContact OG1-O 3.19Å
111	Q	98.8	Very high	98.7	Very high	79 Å²	79	34.4 Å²	34.4	37%	0.369	18%	0.178	S	C	.	.	S	Bend	trans	-89.8	141.8	179.9	-55.6	-53.5	-41.2	0	0	111.5	W114 K115 G190 Y191 L192	Q111-W114 WeakPolarHBondContact O-CB 3.25Å; Q111-W114 PolarHBondContact O-N 3.27Å; Q111-K115 PolarHBondContact O-N 3.37Å; Q111-G190 WeakPolarHBondContact CB-O 3.28Å; Q111-Y191 PolarHBondContact N-O 3.3Å; Q111-Y191 VanDerWaalsContact N-O 3.08Å; Q111-L192 PolarHBondContact NE2-O 3.05Å
112	D	98.3	Very high	98.7	Very high	121 Å²	121	33.5 Å²	33.5	65%	0.647	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	148.4	167	-67.3	-53.2	0	0	0	110.1
113	P	98.1	Very high	98.8	Very high	61 Å²	61	33.5 Å²	33.5	40%	0.396	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	0.7	0	34.2	-37.2	0	0	0	114.9	I90	I90-P113 HydrophobicContact CG2-CB 3.78Å; I90-P113 HydrophobicContact CG2-CG 3.47Å; I90-P113 VanDerWaalsContact CG2-CG 3.47Å
114	W	98.8	Very high	98.8	Very high	24 Å²	24	33.6 Å²	33.6	9%	0.091	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-73.6	-31.2	-168.5	-41.5	107.1	0	0	0	114.7	I90 E91 E93 F99 A109 Q111 T116 N117 Y118 G190 Y191	I90-W114 HydrophobicContact CB-CZ3 4.45Å; I90-W114 HydrophobicContact CG2-CE3 3.99Å; I90-W114 HydrophobicContact CG2-CH2 4.07Å; I90-W114 HydrophobicContact CG2-CZ3 3.6Å; E91-W114 WeakPolarHBondContact O-CH2 3.44Å; E93-W114 HydrophobicContact CB-CH2 4.4Å; E93-W114 HydrophobicContact CB-CZ3 3.79Å; F99-W114 HydrophobicContact CE1-CD2 4.32Å; F99-W114 AromaticContact CE1-CE2 3.72Å; F99-W114 AromaticContact CE1-CH2 3.63Å; F99-W114 HydrophobicContact CE1-CH2 3.63Å; F99-W114 AromaticContact CE1-CZ2 3.39Å; F99-W114 HydrophobicContact CE1-CZ2 3.39Å; F99-W114 HydrophobicContact CE1-CZ3 4.18Å; F99-W114 HydrophobicContact CZ-CD2 4.1Å; F99-W114 AromaticContact CZ-CE2 3.65Å; F99-W114 HydrophobicContact CZ-CH2 4.35Å; F99-W114 AromaticContact CZ-CZ2 3.83Å; F99-W114 HydrophobicContact CZ-CZ2 3.83Å; F99-W114 AromaticContact CZ-NE1 3.85Å; A109-W114 HydrophobicContact CB-CB 3.71Å; Q111-W114 WeakPolarHBondContact O-CB 3.25Å; Q111-W114 PolarHBondContact O-N 3.27Å; W114-T116 PolarHBondContact O-N 3.19Å; W114-N117 PolarHBondContact O-N 3.17Å; W114-N117 VanDerWaalsContact O-N 3.12Å; W114-Y118 HydrophobicContact CB-CD2 4.1Å; W114-Y118 HydrophobicContact CB-CG 4.26Å; W114-Y118 AromaticContact CE3-CD2 3.88Å; W114-Y118 HydrophobicContact CE3-CD2 3.88Å; W114-Y118 AromaticContact CE3-CE2 3.68Å; W114-Y118 HydrophobicContact CE3-CE2 3.68Å; W114-Y118 HydrophobicContact CZ3-CE2 4.19Å; W114-Y118 WeakPolarHBondContact O-CB 3.43Å; W114-Y118 PolarHBondContact O-N 3.49Å; W114-G190 PolarHBondContact NE1-O 2.76Å; W114-Y191 HydrophobicContact CB-CD1 3.69Å; W114-Y191 HydrophobicContact CB-CE1 4.03Å; W114-Y191 HydrophobicContact CD2-CD1 4.19Å; W114-Y191 AromaticContact CD2-CE1 3.93Å; W114-Y191 HydrophobicContact CD2-CE1 3.93Å; W114-Y191 HydrophobicContact CE3-CE1 4.09Å; W114-Y191 AromaticContact CG-CD1 3.65Å; W114-Y191 HydrophobicContact CG-CD1 3.65Å; W114-Y191 AromaticContact CG-CE1 3.86Å; W114-Y191 HydrophobicContact CG-CE1 3.86Å
115	K	98.6	Very high	98.8	Very high	109 Å²	109	33.7 Å²	33.7	47%	0.474	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-47.9	-35.4	-170.3	-176.9	-178.2	-177.3	175.1	0	115.1	Q111	Q111-K115 PolarHBondContact O-N 3.37Å
116	T	98.6	Very high	98.8	Very high	77 Å²	77	36.8 Å²	36.8	47%	0.472	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-73	-40.2	-175.9	-62.2	0	0	0	0	112.7	K27 W114	K27-T116 HydrophobicContact CB-CG2 4.47Å; K27-T116 HydrophobicContact CG-CG2 4.01Å; W114-T116 PolarHBondContact O-N 3.19Å
117	N	98.8	Very high	98.8	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-34	-168.9	-59.9	84.6	0	0	0	112.9	L26 P85 C88 I90 W114 R119	L26-N117 WeakPolarHBondContact CD2-O 3.47Å; L26-N117 WeakPolarHBondContact O-CA 3.32Å; L26-N117 WeakPolarHBondContact O-CB 3.37Å; L26-N117 PolarHBondContact O-ND2 2.92Å; P85-N117 HydrophobicContact CB-CB 4.03Å; P85-N117 HydrophobicContact CG-CB 4Å; C88-N117 PolarHBondContact SG-ND2 3.2Å; I90-N117 HydrophobicContact CD1-CB 4.03Å; W114-N117 PolarHBondContact O-N 3.17Å; W114-N117 VanDerWaalsContact O-N 3.12Å; N117-R119 PolarHBondContact O-N 3.37Å
118	Y	98.8	Very high	98.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.			trans	-83	61.2	-175.1	-75	-101.4	0	0	0	111.7	P85 I90 E93 G100 T101 A109 W114 Y191	P85-Y118 HydrophobicContact CG-CD1 4.09Å; P85-Y118 HydrophobicContact CG-CD2 3.79Å; P85-Y118 HydrophobicContact CG-CE1 3.98Å; P85-Y118 HydrophobicContact CG-CE2 3.66Å; P85-Y118 HydrophobicContact CG-CG 3.98Å; I90-Y118 HydrophobicContact CD1-CD2 4.23Å; I90-Y118 HydrophobicContact CD1-CE2 3.81Å; E93-Y118 PolarHBondContact OE2-OH 3.21Å; G100-Y118 WeakPolarHBondContact CA-OH 3.32Å; G100-Y118 WeakPolarHBondContact O-CE1 3.25Å; T101-Y118 PolarHBondContact N-OH 2.96Å; A109-Y118 WeakPolarHBondContact CB-O 3.29Å; A109-Y118 PolarHBondContact N-O 3.37Å; W114-Y118 HydrophobicContact CB-CD2 4.1Å; W114-Y118 HydrophobicContact CB-CG 4.26Å; W114-Y118 AromaticContact CE3-CD2 3.88Å; W114-Y118 HydrophobicContact CE3-CD2 3.88Å; W114-Y118 AromaticContact CE3-CE2 3.68Å; W114-Y118 HydrophobicContact CE3-CE2 3.68Å; W114-Y118 HydrophobicContact CZ3-CE2 4.19Å; W114-Y118 WeakPolarHBondContact O-CB 3.43Å; W114-Y118 PolarHBondContact O-N 3.49Å; Y118-Y191 HydrophobicContact CD1-CD1 4.45Å; Y118-Y191 AromaticContact CD1-CE1 3.52Å; Y118-Y191 HydrophobicContact CD1-CE1 3.52Å; Y118-Y191 AromaticContact CD1-CZ 3.63Å; Y118-Y191 WeakPolarHBondContact CD1-OH 3.34Å; Y118-Y191 HydrophobicContact CE1-CE1 4.04Å; Y118-Y191 AromaticContact CE1-CZ 3.96Å; Y118-Y191 VanDerWaalsContact CE1-OH 3.24Å; Y118-Y191 WeakPolarHBondContact CE1-OH 3.26Å; Y118-Y191 HydrophobicContact CG-CD1 4.46Å; Y118-Y191 AromaticContact CG-CE1 3.82Å; Y118-Y191 HydrophobicContact CG-CE1 3.82Å
119	R	98.9	Very high	98.7	Very high	74 Å²	74	36.7 Å²	36.7	28%	0.279	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-110.9	43.3	-179.7	-61.7	177	54.2	77.3	4.8	111.5	E25 L26 V107 N108 N117 Y121 S122 Y123	E25-R119 WeakPolarHBondContact O-CD 3.44Å; E25-R119 IonicContact OE2-CZ 2.73Å; E25-R119 VanDerWaalsContact OE2-CZ 3.3Å; E25-R119 IonicContact OE2-NE 3.42Å; E25-R119 PolarHBondContact OE2-NE 3.36Å; E25-R119 IonicContact OE2-NH2 3.57Å; E25-R119 PolarHBondContact OE2-NH2 3.18Å; L26-R119 VanDerWaalsContact CD2-C 3.42Å; L26-R119 HydrophobicContact CD2-CB 4.01Å; L26-R119 WeakPolarHBondContact CD2-O 3.49Å; V107-R119 CarbonylContact O-C 3.57Å; N108-R119 VanDerWaalsContact OD1-CA 3.24Å; N108-R119 WeakPolarHBondContact OD1-CA 3.38Å; N108-R119 PolarHBondContact OD1-O 2.97Å; N117-R119 PolarHBondContact O-N 3.37Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 2.87Å; R119-S122 PolarHBondContact O-N 2.72Å; R119-Y123 PolarHBondContact O-N 2.83Å
120	M	98.9	Very high	98.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-33	-171.8	-73.3	-56.1	-61.1	0	0	112.5	L26 D82 Y106 V107 Y123 V124	L26-M120 HydrophobicContact CD1-SD 3.56Å; L26-M120 VanDerWaalsContact CD1-SD 3.56Å; L26-M120 HydrophobicContact CD2-SD 3.92Å; L26-M120 HydrophobicContact CG-SD 4.44Å; D82-M120 WeakPolarHBondContact O-CE 3.24Å; Y106-M120 HydrophobicContact CD1-CB 4.46Å; Y106-M120 HydrophobicContact CE1-CE 4.39Å; V107-M120 PolarHBondContact O-N 3.16Å; M120-Y123 HydrophobicContact CE-CD1 3.92Å; M120-Y123 PolarHBondContact O-N 3.43Å; M120-Y123 HydrophobicContact SD-CD1 4.46Å; M120-V124 HydrophobicContact CE-CG1 4.34Å; M120-V124 WeakPolarHBondContact O-CG1 3.44Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 2.81Å
121	Y	98.9	Very high	98.7	Very high	27 Å²	27	39.7 Å²	39.7	11%	0.106	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-56.1	173.5	179.7	-99.2	0	0	0	110.8	Y106 V107 R119 Y123 V124 T125 I157 K161 N162 Y202	Y106-Y121 VanDerWaalsContact O-CB 3.32Å; Y106-Y121 WeakPolarHBondContact O-CB 3.5Å; V107-Y121 PolarHBondContact O-N 2.89Å; V107-Y121 VanDerWaalsContact O-N 3.13Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 2.87Å; Y121-Y123 VanDerWaalsContact C-N 3.28Å; Y121-Y123 PolarHBondContact O-N 2.82Å; Y121-V124 WeakPolarHBondContact O-CG2 3.41Å; Y121-V124 PolarHBondContact O-N 3.48Å; Y121-T125 HydrophobicContact CD2-CG2 4.2Å; Y121-T125 HydrophobicContact CE1-CG2 4.43Å; Y121-T125 HydrophobicContact CE2-CG2 3.87Å; Y121-T125 WeakPolarHBondContact O-CG2 3.33Å; Y121-T125 PolarHBondContact O-N 3.24Å; Y121-T125 PolarHBondContact O-OG1 3.09Å; Y121-I157 HydrophobicContact CD2-CD1 4.49Å; Y121-K161 HydrophobicContact CE2-CB 4.48Å; Y121-K161 HydrophobicContact CE2-CD 3.74Å; Y121-K161 WeakPolarHBondContact OH-CB 3.4Å; Y121-K161 WeakPolarHBondContact OH-CE 3.21Å; Y121-N162 PolarHBondContact OH-ND2 3.31Å; Y121-Y202 HydrophobicContact CD2-CE1 4.14Å; Y121-Y202 HydrophobicContact CG-CE1 4.03Å
122	S	98.9	Very high	98.7	Very high	13 Å²	13	36 Å²	36	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-37.5	178.2	-80.6	0	0	0	0	112.4	E25 N108 R119 E126 E127	E25-S122 VanDerWaalsContact CD-CB 3.43Å; E25-S122 WeakPolarHBondContact OE2-CB 3.34Å; N108-S122 PolarHBondContact ND2-OG 3.48Å; N108-S122 PolarHBondContact OD1-N 2.94Å; R119-S122 PolarHBondContact O-N 2.72Å; S122-E126 WeakPolarHBondContact O-CA 3.5Å; S122-E126 VanDerWaalsContact O-CB 3.27Å; S122-E126 WeakPolarHBondContact O-CB 3.42Å; S122-E126 PolarHBondContact O-N 3.29Å; S122-E127 PolarHBondContact O-N 3.15Å
123	Y	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-59.1	-52	176.1	178.8	-109.3	0	0	0	112	H21 L26 M30 P81 R119 M120 Y121 E127 L128	H21-Y123 AromaticContact CE1-CE2 3.67Å; H21-Y123 AromaticContact NE2-CE2 3.47Å; H21-Y123 WeakPolarHBondContact NE2-CE2 3.22Å; H21-Y123 AromaticContact NE2-CZ 3.63Å; H21-Y123 PolarHBondContact NE2-OH 2.91Å; L26-Y123 HydrophobicContact CD1-CD1 3.94Å; L26-Y123 HydrophobicContact CD1-CD2 3.73Å; L26-Y123 HydrophobicContact CD1-CE1 4.42Å; L26-Y123 HydrophobicContact CD1-CE2 4.24Å; L26-Y123 HydrophobicContact CD1-CG 3.57Å; L26-Y123 HydrophobicContact CG-CD2 4.07Å; L26-Y123 HydrophobicContact CG-CG 4.07Å; M30-Y123 HydrophobicContact CB-CE2 4.45Å; M30-Y123 HydrophobicContact CE-CE1 3.99Å; M30-Y123 HydrophobicContact CG-CE2 4.29Å; P81-Y123 HydrophobicContact CB-CE1 3.96Å; R119-Y123 PolarHBondContact O-N 2.83Å; M120-Y123 HydrophobicContact CE-CD1 3.92Å; M120-Y123 PolarHBondContact O-N 3.43Å; M120-Y123 HydrophobicContact SD-CD1 4.46Å; Y121-Y123 VanDerWaalsContact C-N 3.28Å; Y121-Y123 PolarHBondContact O-N 2.82Å; Y123-E127 HydrophobicContact CD2-CB 4.16Å; Y123-E127 HydrophobicContact CD2-CG 4.33Å; Y123-E127 WeakPolarHBondContact CD2-OE2 3.29Å; Y123-E127 PolarHBondContact O-N 3.43Å; Y123-L128 HydrophobicContact CE1-CB 4.3Å; Y123-L128 HydrophobicContact CE1-CD2 4.15Å; Y123-L128 HydrophobicContact CE2-CB 4.34Å; Y123-L128 VanDerWaalsContact O-CB 3.28Å; Y123-L128 WeakPolarHBondContact O-CB 3.35Å; Y123-L128 PolarHBondContact O-N 3.47Å
124	V	98.9	Very high	98.7	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.175	C	C	.	.	I	π-helix	trans	-76.9	-27.6	-174.8	-57.8	0	0	0	0	113.4	L51 P81 Y106 M120 Y121 P129	L51-V124 HydrophobicContact CD2-CB 4.37Å; L51-V124 HydrophobicContact CD2-CG1 4.03Å; P81-V124 HydrophobicContact CG-CG1 4.25Å; Y106-V124 HydrophobicContact CD1-CG1 4.03Å; Y106-V124 HydrophobicContact CD1-CG2 4.33Å; Y106-V124 HydrophobicContact CE1-CG1 4.1Å; M120-V124 HydrophobicContact CE-CG1 4.34Å; M120-V124 WeakPolarHBondContact O-CG1 3.44Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 2.81Å; Y121-V124 WeakPolarHBondContact O-CG2 3.41Å; Y121-V124 PolarHBondContact O-N 3.48Å; V124-P129 VanDerWaalsContact O-CD 3.31Å; V124-P129 WeakPolarHBondContact O-CD 3.49Å; V124-P129 VanDerWaalsContact O-CG 3.25Å; V124-P129 WeakPolarHBondContact O-CG 3.21Å
125	T	98.8	Very high	98.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	19%	0.189	C	C	.	.	I	π-helix	trans	-91.1	-31.8	179.4	64.1	0	0	0	0	112.9	Y121 C158 K165	Y121-T125 HydrophobicContact CD2-CG2 4.2Å; Y121-T125 HydrophobicContact CE1-CG2 4.43Å; Y121-T125 HydrophobicContact CE2-CG2 3.87Å; Y121-T125 WeakPolarHBondContact O-CG2 3.33Å; Y121-T125 PolarHBondContact O-N 3.24Å; Y121-T125 PolarHBondContact O-OG1 3.09Å; T125-C158 HydrophobicContact CG2-CB 4.23Å; T125-K165 WeakPolarHBondContact O-CE 3.28Å; T125-K165 PolarHBondContact O-NZ 3.11Å
126	E	98.7	Very high	98.6	Very high	65 Å²	65	32.6 Å²	32.6	30%	0.304	17%	0.173	S	C	.	.	I	π-helix	trans	-116.6	-60.9	-171	-62.5	-57.3	126.1	0	0	113.5	S122 K130 K165	S122-E126 WeakPolarHBondContact O-CA 3.5Å; S122-E126 VanDerWaalsContact O-CB 3.27Å; S122-E126 WeakPolarHBondContact O-CB 3.42Å; S122-E126 PolarHBondContact O-N 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 VanDerWaalsContact O-CD 3.31Å; E126-K130 WeakPolarHBondContact O-CD 3.39Å; E126-K130 VanDerWaalsContact O-CG 3.23Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 3.36Å; E126-K130 WeakPolarHBondContact OE2-CE 3.42Å; E126-K130 IonicContact OE2-NZ 2.86Å; E126-K130 PolarHBondContact OE2-NZ 3.34Å; E126-K165 IonicContact OE1-NZ 3.23Å; E126-K165 PolarHBondContact OE1-NZ 3.11Å
127	E	98.8	Very high	98.4	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	17%	0.17	C	C	.	.	I	π-helix	trans	-68.1	-53.3	-170.9	-178.9	172.5	-158.5	0	0	111.8	M1 H21 S23 T24 E25 S122 Y123 K130 L131	M1-E127 WeakPolarHBondContact CE-OE1 3.25Å; H21-E127 IonicContact CE1-OE1 2.84Å; S23-E127 VanDerWaalsContact CA-OE1 3.31Å; S23-E127 WeakPolarHBondContact CA-OE1 3.46Å; S23-E127 PolarHBondContact OG-OE2 3.02Å; T24-E127 PolarHBondContact N-OE1 2.88Å; T24-E127 PolarHBondContact N-OE2 2.94Å; T24-E127 VanDerWaalsContact OG1-CD 3.3Å; T24-E127 PolarHBondContact OG1-OE1 2.9Å; E25-E127 WeakPolarHBondContact CB-OE2 2.95Å; E25-E127 HydrophobicContact CG-CB 4.01Å; E25-E127 PolarHBondContact N-OE2 3.42Å; S122-E127 PolarHBondContact O-N 3.15Å; Y123-E127 HydrophobicContact CD2-CB 4.16Å; Y123-E127 HydrophobicContact CD2-CG 4.33Å; Y123-E127 WeakPolarHBondContact CD2-OE2 3.29Å; Y123-E127 PolarHBondContact O-N 3.43Å; E127-K130 PolarHBondContact O-N 2.91Å; E127-L131 WeakPolarHBondContact O-CB 3.37Å; E127-L131 PolarHBondContact O-N 3.3Å
128	L	98.8	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-45.4	-175.6	-179.1	67.4	0	0	0	111.9	F32 Y49 V79 P81 Y123 K130 L131 I132	F32-L128 HydrophobicContact CB-CD1 4.41Å; F32-L128 HydrophobicContact CD1-CD1 3.9Å; F32-L128 HydrophobicContact CD2-CD1 4.45Å; F32-L128 HydrophobicContact CE1-CD1 4.27Å; F32-L128 HydrophobicContact CG-CD1 4Å; Y49-L128 HydrophobicContact CD1-CD2 4.3Å; Y49-L128 HydrophobicContact CE1-CD2 4.08Å; Y49-L128 HydrophobicContact CE1-CG 4.17Å; V79-L128 HydrophobicContact CG1-CD2 4.09Å; P81-L128 HydrophobicContact CB-CD2 3.7Å; P81-L128 HydrophobicContact CG-CD2 3.97Å; Y123-L128 HydrophobicContact CE1-CB 4.3Å; Y123-L128 HydrophobicContact CE1-CD2 4.15Å; Y123-L128 HydrophobicContact CE2-CB 4.34Å; Y123-L128 VanDerWaalsContact O-CB 3.28Å; Y123-L128 WeakPolarHBondContact O-CB 3.35Å; Y123-L128 PolarHBondContact O-N 3.47Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.48Å; L128-L131 WeakPolarHBondContact O-CB 3.45Å; L128-L131 PolarHBondContact O-N 3.23Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L128-I132 HydrophobicContact CD1-CD1 4.27Å; L128-I132 HydrophobicContact CD1-CG1 4.06Å; L128-I132 HydrophobicContact CG-CG1 4.21Å; L128-I132 VanDerWaalsContact O-CG1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.31Å; L128-I132 PolarHBondContact O-N 3.38Å
129	P	98.6	Very high	98.3	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-41.2	175.2	-27.9	38.4	0	0	0	113.9	Y49 V124 L131 I132 N133 M143	Y49-P129 HydrophobicContact CE1-CG 4.34Å; Y49-P129 WeakPolarHBondContact OH-CA 3.17Å; V124-P129 VanDerWaalsContact O-CD 3.31Å; V124-P129 WeakPolarHBondContact O-CD 3.49Å; V124-P129 VanDerWaalsContact O-CG 3.25Å; V124-P129 WeakPolarHBondContact O-CG 3.21Å; P129-L131 VanDerWaalsContact C-N 3.34Å; P129-L131 PolarHBondContact O-N 3.37Å; P129-I132 PolarHBondContact O-N 2.84Å; P129-N133 WeakPolarHBondContact O-CB 3.29Å; P129-N133 PolarHBondContact O-N 3.19Å; P129-N133 PolarHBondContact O-ND2 2.87Å; P129-M143 HydrophobicContact CB-SD 4.41Å; P129-M143 HydrophobicContact CG-SD 4.38Å
130	K	98.4	Very high	98	Very high	128 Å²	128	32.4 Å²	32.4	56%	0.557	18%	0.183	S	C	*	.	H	α-helix	trans	-62.4	-42	174.9	-71.8	168.8	-167.9	157.5	0	111.6	E126 E127 L128 A134	E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 VanDerWaalsContact O-CD 3.31Å; E126-K130 WeakPolarHBondContact O-CD 3.39Å; E126-K130 VanDerWaalsContact O-CG 3.23Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 3.36Å; E126-K130 WeakPolarHBondContact OE2-CE 3.42Å; E126-K130 IonicContact OE2-NZ 2.86Å; E126-K130 PolarHBondContact OE2-NZ 3.34Å; E127-K130 PolarHBondContact O-N 2.91Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.48Å; K130-A134 WeakPolarHBondContact O-CB 3.36Å; K130-A134 PolarHBondContact O-N 3.25Å; K130-A134 VanDerWaalsContact O-N 3.1Å
131	L	98.6	Very high	97.9	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-44.7	177.5	-174.6	67.8	0	0	0	111.8	M1 L3 H21 F32 E127 L128 P129 A134 N135	M1-L131 HydrophobicContact CB-CD1 4.15Å; L3-L131 HydrophobicContact CD2-CD1 3.98Å; L3-L131 HydrophobicContact CD2-CD2 3.78Å; L3-L131 HydrophobicContact CD2-CG 4Å; L3-L131 HydrophobicContact CG-CD1 4.49Å; H21-L131 HydrophobicContact CB-CD2 4.22Å; F32-L131 HydrophobicContact CE1-CD2 3.91Å; F32-L131 HydrophobicContact CZ-CD2 4.5Å; E127-L131 WeakPolarHBondContact O-CB 3.37Å; E127-L131 PolarHBondContact O-N 3.3Å; L128-L131 WeakPolarHBondContact O-CB 3.45Å; L128-L131 PolarHBondContact O-N 3.23Å; L128-L131 VanDerWaalsContact O-N 3.16Å; P129-L131 VanDerWaalsContact C-N 3.34Å; P129-L131 PolarHBondContact O-N 3.37Å; L131-A134 PolarHBondContact O-N 3.25Å; L131-N135 PolarHBondContact O-N 3.15Å; L131-N135 PolarHBondContact O-ND2 3.03Å
132	I	98.6	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-48.6	178.2	-67.5	-59.7	0	0	0	110.6	F32 I34 Y49 V79 L128 P129 A134 N135 F136 T138	F32-I132 HydrophobicContact CD2-CD1 4.05Å; F32-I132 HydrophobicContact CE2-CD1 3.45Å; F32-I132 VanDerWaalsContact CE2-CD1 3.45Å; F32-I132 HydrophobicContact CZ-CD1 3.89Å; I34-I132 HydrophobicContact CD1-CD1 4.32Å; Y49-I132 HydrophobicContact CE1-CG1 4.4Å; V79-I132 HydrophobicContact CG1-CD1 4.05Å; V79-I132 HydrophobicContact CG1-CG1 4.22Å; V79-I132 HydrophobicContact CG2-CD1 3.97Å; V79-I132 HydrophobicContact CG2-CG1 4.13Å; V79-I132 HydrophobicContact CG2-CG2 4.25Å; L128-I132 HydrophobicContact CD1-CD1 4.27Å; L128-I132 HydrophobicContact CD1-CG1 4.06Å; L128-I132 HydrophobicContact CG-CG1 4.21Å; L128-I132 VanDerWaalsContact O-CG1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.31Å; L128-I132 PolarHBondContact O-N 3.38Å; P129-I132 PolarHBondContact O-N 2.84Å; I132-A134 PolarHBondContact O-N 3.32Å; I132-N135 PolarHBondContact O-N 3.39Å; I132-N135 VanDerWaalsContact O-N 3.16Å; I132-F136 HydrophobicContact CD1-CD2 3.97Å; I132-F136 HydrophobicContact CD1-CE2 3.83Å; I132-F136 HydrophobicContact CG2-CD2 4.32Å; I132-F136 WeakPolarHBondContact O-CD2 3.32Å; I132-F136 PolarHBondContact O-N 3.4Å; I132-T138 HydrophobicContact CG2-CG2 3.81Å
133	N	97.9	Very high	97.7	Very high	60 Å²	60	40 Å²	40	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-30.7	-179.3	-68	-16.6	0	0	0	113.3	P129 T138 P140	P129-N133 WeakPolarHBondContact O-CB 3.29Å; P129-N133 PolarHBondContact O-N 3.19Å; P129-N133 PolarHBondContact O-ND2 2.87Å; N133-T138 WeakPolarHBondContact CA-OG1 3.2Å; N133-T138 PolarHBondContact OD1-OG1 3.36Å; N133-P140 WeakPolarHBondContact ND2-CB 3.36Å
134	A	97.6	Very high	97.7	Very high	81 Å²	81	40 Å²	40	67%	0.669	22%	0.219	S	C	*	.	H	α-helix	trans	-78.8	-19.8	178.8	0	0	0	0	0	114.1	K130 L131 I132	K130-A134 WeakPolarHBondContact O-CB 3.36Å; K130-A134 PolarHBondContact O-N 3.25Å; K130-A134 VanDerWaalsContact O-N 3.1Å; L131-A134 PolarHBondContact O-N 3.25Å; I132-A134 PolarHBondContact O-N 3.32Å
135	N	98.1	Very high	97.7	Very high	73 Å²	73	40 Å²	40	39%	0.39	22%	0.219	S	C	.	.	H	α-helix	trans	-121.4	-11.7	-168.7	-69.8	-85.5	0	0	0	114.9	L3 L131 I132	L3-N135 HydrophobicContact CD1-CB 3.55Å; L131-N135 PolarHBondContact O-N 3.15Å; L131-N135 PolarHBondContact O-ND2 3.03Å; I132-N135 PolarHBondContact O-N 3.39Å; I132-N135 VanDerWaalsContact O-N 3.16Å
136	F	97.8	Very high	97.7	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.136	22%	0.219	C	C	.	.	S	Bend	trans	-133.4	154.7	-176.8	-56.3	-77.5	0	0	0	111.9	L3 F19 F32 I34 L36 I132 T138	L3-F136 HydrophobicContact CD1-CE2 3.86Å; L3-F136 HydrophobicContact CD1-CZ 3.83Å; F19-F136 AromaticContact CD2-CZ 3.91Å; F19-F136 HydrophobicContact CD2-CZ 3.91Å; F19-F136 AromaticContact CE2-CE1 3.76Å; F19-F136 HydrophobicContact CE2-CE1 3.76Å; F19-F136 AromaticContact CE2-CZ 3.56Å; F19-F136 HydrophobicContact CE2-CZ 3.56Å; F19-F136 AromaticContact CZ-CE1 3.92Å; F19-F136 HydrophobicContact CZ-CE1 3.92Å; F19-F136 AromaticContact CZ-CZ 3.91Å; F19-F136 HydrophobicContact CZ-CZ 3.91Å; F32-F136 HydrophobicContact CE2-CE2 4.22Å; F32-F136 HydrophobicContact CZ-CE2 4.23Å; I34-F136 HydrophobicContact CD1-CB 4.33Å; I34-F136 HydrophobicContact CD1-CD1 3.89Å; I34-F136 HydrophobicContact CD1-CD2 3.67Å; I34-F136 HydrophobicContact CD1-CE1 4.07Å; I34-F136 HydrophobicContact CD1-CE2 3.88Å; I34-F136 HydrophobicContact CD1-CG 3.68Å; I34-F136 HydrophobicContact CD1-CZ 4.07Å; I34-F136 HydrophobicContact CG2-CE1 4.31Å; I34-F136 HydrophobicContact CG2-CZ 4.16Å; L36-F136 HydrophobicContact CD1-CD1 4.24Å; L36-F136 HydrophobicContact CD1-CE1 4.49Å; L36-F136 HydrophobicContact CD2-CD1 4.07Å; I132-F136 HydrophobicContact CD1-CD2 3.97Å; I132-F136 HydrophobicContact CD1-CE2 3.83Å; I132-F136 HydrophobicContact CG2-CD2 4.32Å; I132-F136 WeakPolarHBondContact O-CD2 3.32Å; I132-F136 PolarHBondContact O-N 3.4Å; F136-T138 HydrophobicContact CB-CG2 3.91Å; F136-T138 PolarHBondContact O-N 3.12Å; F136-T138 PolarHBondContact O-OG1 2.82Å; F136-T138 VanDerWaalsContact O-OG1 3.08Å
137	S	95.8	Very high	97.7	Very high	58 Å²	58	36.8 Å²	36.8	41%	0.406	20%	0.204	S	C	.	.	S	Bend	trans	-67.7	73	177.7	-58.3	0	0	0	0	111.9	A40 K44 C45 I77	A40-S137 PolarHBondContact O-OG 3.35Å; K44-S137 WeakPolarHBondContact CA-O 3.37Å; C45-S137 PolarHBondContact N-O 3.42Å; I77-S137 WeakPolarHBondContact CD1-O 3.42Å
138	T	97.7	Very high	97.7	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.2	-172.4	53.7	0	0	0	0	110.6	K44 C45 V47 I77 I132 N133 F136	K44-T138 WeakPolarHBondContact CD-O 3.29Å; C45-T138 CarbonylContact O-C 3.58Å; C45-T138 WeakPolarHBondContact O-CA 3.23Å; V47-T138 HydrophobicContact CG2-CG2 3.62Å; I77-T138 HydrophobicContact CD1-CG2 3.53Å; I132-T138 HydrophobicContact CG2-CG2 3.81Å; N133-T138 WeakPolarHBondContact CA-OG1 3.2Å; N133-T138 PolarHBondContact OD1-OG1 3.36Å; F136-T138 HydrophobicContact CB-CG2 3.91Å; F136-T138 PolarHBondContact O-N 3.12Å; F136-T138 PolarHBondContact O-OG1 2.82Å; F136-T138 VanDerWaalsContact O-OG1 3.08Å
139	D	96.6	Very high	97.7	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.8	169	-168.3	-31.6	0	0	0	109.3	K44 C45 D141 R142	K44-D139 HydrophobicContact CB-CB 4.46Å; C45-D139 PolarHBondContact O-N 3.1Å; D139-D141 PolarHBondContact O-N 3.17Å; D139-D141 PolarHBondContact OD1-N 3.42Å; D139-R142 HydrophobicContact CB-CB 4.27Å; D139-R142 VanDerWaalsContact CG-NE 3.35Å; D139-R142 PolarHBondContact O-N 3.26Å; D139-R142 IonicContact OD2-CZ 2.78Å; D139-R142 VanDerWaalsContact OD2-CZ 3.23Å; D139-R142 IonicContact OD2-NE 3.06Å; D139-R142 PolarHBondContact OD2-NE 3.2Å; D139-R142 IonicContact OD2-NH2 3.83Å; D139-R142 PolarHBondContact OD2-NH2 2.96Å
140	P	93.3	Very high	97.8	Very high	68 Å²	68	36.4 Å²	36.4	44%	0.442	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-20.9	-171.5	28.4	-36.1	0	0	0	113.3	N133	N133-P140 WeakPolarHBondContact ND2-CB 3.36Å
141	D	95.6	Very high	97.8	Very high	123 Å²	123	30.3 Å²	30.3	66%	0.658	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	-6.8	-178.2	-63.7	-40.4	0	0	0	112.6	D139 K167	D139-D141 PolarHBondContact O-N 3.17Å; D139-D141 PolarHBondContact OD1-N 3.42Å; D141-K167 WeakPolarHBondContact O-CE 3.41Å
142	R	97.3	Very high	97.8	Very high	62 Å²	62	29.8 Å²	29.8	23%	0.234	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	77.2	-178.6	-62.6	-169.5	-66.8	138.4	-1.1	110.9	P46 V47 D139 L280	P46-R142 CarbonylContact C-O 3.4Å; P46-R142 VanDerWaalsContact CA-O 3.25Å; P46-R142 WeakPolarHBondContact CA-O 3.32Å; P46-R142 HydrophobicContact CB-CB 3.79Å; P46-R142 VanDerWaalsContact CB-O 3.29Å; P46-R142 WeakPolarHBondContact CB-O 3.29Å; V47-R142 PolarHBondContact N-O 3.22Å; D139-R142 HydrophobicContact CB-CB 4.27Å; D139-R142 VanDerWaalsContact CG-NE 3.35Å; D139-R142 PolarHBondContact O-N 3.26Å; D139-R142 IonicContact OD2-CZ 2.78Å; D139-R142 VanDerWaalsContact OD2-CZ 3.23Å; D139-R142 IonicContact OD2-NE 3.06Å; D139-R142 PolarHBondContact OD2-NE 3.2Å; D139-R142 IonicContact OD2-NH2 3.83Å; D139-R142 PolarHBondContact OD2-NH2 2.96Å; R142-L280 HydrophobicContact CB-CD2 4.18Å; R142-L280 WeakPolarHBondContact CD-O 3.45Å; R142-L280 PolarHBondContact NH1-O 3.34Å; R142-L280 WeakPolarHBondContact O-CD2 3.36Å
143	M	97.8	Very high	97.8	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.069	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.5	177.5	-177.4	175.4	56.8	0	0	111.3	V47 Y49 P129 K165 Y166 K167	V47-M143 CarbonylContact O-C 3.59Å; V47-M143 VanDerWaalsContact O-CA 3.29Å; V47-M143 WeakPolarHBondContact O-CA 3.45Å; Y49-M143 HydrophobicContact CD2-CG 3.54Å; Y49-M143 HydrophobicContact CD2-SD 3.48Å; Y49-M143 WeakPolarHBondContact CD2-SD 3.22Å; Y49-M143 HydrophobicContact CE2-CG 3.49Å; Y49-M143 VanDerWaalsContact CE2-CG 3.49Å; Y49-M143 HydrophobicContact CE2-SD 3.11Å; Y49-M143 WeakPolarHBondContact CE2-SD 3.3Å; P129-M143 HydrophobicContact CB-SD 4.41Å; P129-M143 HydrophobicContact CG-SD 4.38Å; M143-K165 HydrophobicContact CE-CD 4.23Å; M143-K165 HydrophobicContact CE-CG 3.61Å; M143-Y166 HydrophobicContact CE-CD1 3.78Å; M143-Y166 HydrophobicContact CE-CE1 3.34Å; M143-Y166 HydrophobicContact CG-CD1 3.92Å; M143-Y166 HydrophobicContact CG-CE1 3.96Å; M143-Y166 CarbonylContact O-C 3.59Å; M143-Y166 VanDerWaalsContact O-CA 3.31Å; M143-Y166 WeakPolarHBondContact O-CA 3.43Å; M143-Y166 HydrophobicContact SD-CD1 4.26Å; M143-Y166 HydrophobicContact SD-CE1 3.72Å; M143-K167 PolarHBondContact O-N 2.88Å
144	S	98.6	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	168.4	168.2	-66.3	0	0	0	0	110.4	V47 Y49 A168 H276 L280	V47-S144 PolarHBondContact O-N 2.88Å; Y49-S144 PolarHBondContact N-O 2.95Å; S144-A168 VanDerWaalsContact CB-O 3.32Å; S144-A168 WeakPolarHBondContact CB-O 3.29Å; S144-A168 PolarHBondContact OG-N 2.82Å; S144-A168 VanDerWaalsContact OG-N 3.12Å; S144-H276 VanDerWaalsContact CB-ND1 3.32Å; S144-H276 WeakPolarHBondContact CB-ND1 3.46Å; S144-L280 WeakPolarHBondContact OG-CD2 3.31Å; S144-L280 WeakPolarHBondContact OG-CG 3.49Å
145	I	98.9	Very high	97.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.5	-177.5	-163.6	161.1	0	0	0	112.1	Y49 L51 A155 C158 A159 Y166 A168 V169 S170 H276	Y49-I145 CarbonylContact O-C 3.57Å; Y49-I145 WeakPolarHBondContact O-CA 3.4Å; L51-I145 HydrophobicContact CD1-CD1 3.91Å; L51-I145 HydrophobicContact CD1-CG1 4.45Å; L51-I145 HydrophobicContact CG-CD1 4.18Å; L51-I145 HydrophobicContact CG-CG1 4.34Å; I145-A155 HydrophobicContact CG1-CB 3.99Å; I145-A155 HydrophobicContact CG2-CB 4.24Å; I145-C158 HydrophobicContact CD1-CB 3.84Å; I145-A159 HydrophobicContact CG2-CB 4.36Å; I145-Y166 HydrophobicContact CB-CD1 3.74Å; I145-Y166 HydrophobicContact CB-CE1 3.82Å; I145-Y166 HydrophobicContact CB-CG 4.41Å; I145-Y166 HydrophobicContact CD1-CE1 4.02Å; I145-Y166 HydrophobicContact CG1-CE1 4.49Å; I145-Y166 HydrophobicContact CG2-CD1 3.81Å; I145-Y166 HydrophobicContact CG2-CD2 4.44Å; I145-Y166 HydrophobicContact CG2-CE1 4.13Å; I145-Y166 HydrophobicContact CG2-CG 3.97Å; I145-A168 PolarHBondContact N-O 3.34Å; I145-V169 HydrophobicContact CG2-CB 4.27Å; I145-V169 HydrophobicContact CG2-CG2 3.98Å; I145-V169 VanDerWaalsContact O-CA 3.29Å; I145-V169 WeakPolarHBondContact O-CA 3.45Å; I145-S170 PolarHBondContact O-N 3.34Å; I145-H276 PolarHBondContact O-CE1 3.09Å
146	S	98.9	Very high	98	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.7	175.6	-171.4	0	0	0	0	110.4	Y49 W50 L51 S170	Y49-S146 PolarHBondContact O-N 3.18Å; W50-S146 CarbonylContact C-O 3.6Å; W50-S146 WeakPolarHBondContact CA-O 2.96Å; L51-S146 PolarHBondContact N-O 3.2Å; S146-S170 WeakPolarHBondContact CA-O 3.31Å; S146-S170 WeakPolarHBondContact CB-OG 3.23Å; S146-S170 PolarHBondContact OG-O 3.33Å; S146-S170 PolarHBondContact OG-OG 3.49Å
147	G	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-179.5	169.4	0	0	0	0	0	114.7	L51 S170 A171 F172	L51-G147 CarbonylContact O-C 3.58Å; L51-G147 WeakPolarHBondContact O-CA 3.36Å; G147-S170 PolarHBondContact N-O 3.22Å; G147-A171 CarbonylContact O-C 3.58Å; G147-A171 WeakPolarHBondContact O-CA 3.31Å; G147-F172 PolarHBondContact O-N 3.27Å
148	H	98.9	Very high	98.2	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.046	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.1	-179.2	170.5	-112.4	0	0	0	112.1	W50 L51 G53 M150 G151 G152 F172 H260 I265	W50-H148 HydrophobicContact CH2-CB 3.74Å; W50-H148 HydrophobicContact CZ2-CB 3.52Å; L51-H148 PolarHBondContact O-N 3.24Å; G53-H148 VanDerWaalsContact CA-O 3.27Å; G53-H148 WeakPolarHBondContact CA-O 3.43Å; G53-H148 PolarHBondContact N-O 3.37Å; H148-M150 PolarHBondContact O-N 3.05Å; H148-G151 VanDerWaalsContact O-CA 3.31Å; H148-G151 WeakPolarHBondContact O-CA 3.41Å; H148-G151 PolarHBondContact O-N 3.02Å; H148-G152 PolarHBondContact O-N 2.96Å; H148-F172 CarbonylContact C-O 3.5Å; H148-F172 VanDerWaalsContact CA-O 3.3Å; H148-F172 WeakPolarHBondContact CA-O 3.32Å; H148-F172 HydrophobicContact CB-CB 4.27Å; H148-F172 PolarHBondContact CD2-O 3.49Å; H148-H260 AromaticContact CE1-CD2 3.44Å; H148-H260 PolarHBondContact CE1-CD2 2.84Å; H148-H260 VanDerWaalsContact CE1-CD2 3.44Å; H148-H260 AromaticContact CE1-CE1 3.93Å; H148-H260 AromaticContact CE1-NE2 3.32Å; H148-H260 PolarHBondContact CE1-NE2 3.11Å; H148-H260 VanDerWaalsContact CE1-NE2 3.32Å; H148-H260 PolarHBondContact CE1-O 3Å; H148-H260 AromaticContact NE2-CD2 3.56Å; H148-H260 AromaticContact NE2-CE1 3.56Å; H148-H260 AromaticContact NE2-CG 3.81Å; H148-H260 AromaticContact NE2-ND1 3.8Å; H148-H260 AromaticContact NE2-NE2 3.43Å; H148-H260 PolarHBondContact NE2-NE2 3.22Å; H148-H260 PolarHBondContact NE2-O 3.42Å; H148-I265 HydrophobicContact CB-CD1 3.87Å; H148-I265 VanDerWaalsContact CG-CD1 3.5Å
149	S	98.8	Very high	98.2	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-118.6	173.5	-168	0	0	0	0	112.5	G151 G152 H153 F172 A173 I175 H260	S149-G151 PolarHBondContact O-N 3.48Å; S149-G152 WeakPolarHBondContact O-CA 3.48Å; S149-G152 PolarHBondContact O-N 3.46Å; S149-H153 PolarHBondContact O-N 2.98Å; S149-F172 PolarHBondContact N-O 2.83Å; S149-A173 VanDerWaalsContact CA-O 3.22Å; S149-A173 WeakPolarHBondContact CA-O 3.4Å; S149-A173 PolarHBondContact N-O 3.27Å; S149-I175 PolarHBondContact O-N 3.15Å; S149-H260 VanDerWaalsContact CB-CE1 3.46Å; S149-H260 WeakPolarHBondContact CB-CE1 3.5Å; S149-H260 WeakPolarHBondContact CB-NE2 3.38Å; S149-H260 PolarHBondContact OG-CE1 2.72Å; S149-H260 VanDerWaalsContact OG-CE1 3.31Å; S149-H260 PolarHBondContact OG-NE2 2.84Å
150	M	98.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-52.4	-36	167.4	-179	-171.2	72.2	0	0	112.7	L54 T83 F105 Y106 H148 H153 G154 I175	L54-M150 HydrophobicContact CD2-SD 3.64Å; L54-M150 HydrophobicContact CG-CB 4.23Å; L54-M150 HydrophobicContact CG-SD 4.31Å; T83-M150 HydrophobicContact CG2-CE 4.08Å; F105-M150 HydrophobicContact CD1-CG 4.32Å; F105-M150 HydrophobicContact CD2-CG 4.41Å; F105-M150 HydrophobicContact CD2-SD 3.86Å; F105-M150 HydrophobicContact CE2-SD 4.19Å; F105-M150 HydrophobicContact CG-CG 4.23Å; F105-M150 HydrophobicContact CG-SD 4.17Å; F105-M150 PolarHBondContact N-SD 3.4Å; F105-M150 VanDerWaalsContact N-SD 3.36Å; Y106-M150 HydrophobicContact CD2-CG 4.11Å; Y106-M150 VanDerWaalsContact CD2-O 3.28Å; Y106-M150 WeakPolarHBondContact CD2-O 3.4Å; Y106-M150 HydrophobicContact CE2-CE 3.83Å; Y106-M150 HydrophobicContact CE2-CG 4.04Å; Y106-M150 WeakPolarHBondContact CE2-O 3.34Å; H148-M150 PolarHBondContact O-N 3.05Å; M150-H153 VanDerWaalsContact O-CB 3.28Å; M150-H153 WeakPolarHBondContact O-CB 3.38Å; M150-H153 PolarHBondContact O-N 2.81Å; M150-G154 PolarHBondContact O-N 2.9Å; M150-I175 HydrophobicContact CB-CD1 4.36Å
151	G	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-73.5	-30.7	173.3	0	0	0	0	0	113.8	L51 S52 Y106 H148 S149 H153 G154 A155	L51-G151 WeakPolarHBondContact CB-O 3.48Å; L51-G151 WeakPolarHBondContact O-CA 3.34Å; S52-G151 WeakPolarHBondContact O-CA 3.46Å; S52-G151 PolarHBondContact O-N 3.35Å; Y106-G151 VanDerWaalsContact CE2-CA 3.45Å; H148-G151 VanDerWaalsContact O-CA 3.31Å; H148-G151 WeakPolarHBondContact O-CA 3.41Å; H148-G151 PolarHBondContact O-N 3.02Å; S149-G151 PolarHBondContact O-N 3.48Å; G151-H153 VanDerWaalsContact C-N 3.34Å; G151-G154 PolarHBondContact O-N 2.75Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.43Å
152	G	98.9	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.3	-42	171.3	0	0	0	0	0	110.8	H148 S149 A155 L156	H148-G152 PolarHBondContact O-N 2.96Å; S149-G152 WeakPolarHBondContact O-CA 3.48Å; S149-G152 PolarHBondContact O-N 3.46Å; G152-A155 PolarHBondContact O-N 2.9Å; G152-L156 VanDerWaalsContact O-CG 3.31Å; G152-L156 WeakPolarHBondContact O-CG 3.27Å; G152-L156 PolarHBondContact O-N 3.42Å; G152-L156 VanDerWaalsContact O-N 3.1Å
153	H	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.6	-55.7	167.7	166.3	63.4	0	0	0	111.9	F105 S149 M150 G151 A155 L156 I157 I175 Y202	F105-H153 PolarHBondContact O-CD2 2.92Å; S149-H153 PolarHBondContact O-N 2.98Å; M150-H153 VanDerWaalsContact O-CB 3.28Å; M150-H153 WeakPolarHBondContact O-CB 3.38Å; M150-H153 PolarHBondContact O-N 2.81Å; G151-H153 VanDerWaalsContact C-N 3.34Å; H153-A155 VanDerWaalsContact C-N 3.29Å; H153-A155 PolarHBondContact O-N 2.78Å; H153-L156 PolarHBondContact O-N 2.81Å; H153-I157 WeakPolarHBondContact CE1-CG2 3.44Å; H153-I157 WeakPolarHBondContact O-CG1 3.48Å; H153-I157 PolarHBondContact O-N 2.82Å; H153-I175 HydrophobicContact CB-CB 3.96Å; H153-I175 VanDerWaalsContact CB-O 3.31Å; H153-I175 WeakPolarHBondContact CB-O 3.45Å; H153-I175 PolarHBondContact ND1-O 2.87Å; H153-Y202 PolarHBondContact CE1-O 3.29Å
154	G	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-53.6	-44.1	178.1	0	0	0	0	0	113	M150 G151 I157 C158	M150-G154 PolarHBondContact O-N 2.9Å; G151-G154 PolarHBondContact O-N 2.75Å; G154-I157 VanDerWaalsContact O-CG1 3.25Å; G154-I157 WeakPolarHBondContact O-CG1 3.2Å; G154-I157 PolarHBondContact O-N 3.31Å; G154-C158 VanDerWaalsContact O-CB 3.3Å; G154-C158 WeakPolarHBondContact O-CB 3.32Å; G154-C158 PolarHBondContact O-N 2.81Å; G154-C158 PolarHBondContact O-SG 3.42Å
155	A	98.9	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-45.7	-178.8	0	0	0	0	0	111.5	I145 G151 G152 H153 C158 A159 V169	I145-A155 HydrophobicContact CG1-CB 3.99Å; I145-A155 HydrophobicContact CG2-CB 4.24Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.43Å; G152-A155 PolarHBondContact O-N 2.9Å; H153-A155 VanDerWaalsContact C-N 3.29Å; H153-A155 PolarHBondContact O-N 2.78Å; A155-C158 PolarHBondContact O-N 3.32Å; A155-A159 PolarHBondContact O-N 3.44Å; A155-V169 HydrophobicContact CB-CG2 4.27Å
156	L	98.9	Very high	98.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-61.9	-49.2	177.6	-69.4	168.5	0	0	0	111.6	G152 H153 C158 A159 L160 V169 P174 A204 I218 L239	G152-L156 VanDerWaalsContact O-CG 3.31Å; G152-L156 WeakPolarHBondContact O-CG 3.27Å; G152-L156 PolarHBondContact O-N 3.42Å; G152-L156 VanDerWaalsContact O-N 3.1Å; H153-L156 PolarHBondContact O-N 2.81Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-C158 PolarHBondContact O-N 2.99Å; L156-A159 PolarHBondContact O-N 3.3Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 2.87Å; L156-V169 HydrophobicContact CD2-CG2 4.21Å; L156-P174 HydrophobicContact CD1-CB 3.78Å; L156-P174 HydrophobicContact CD1-CG 4.18Å; L156-A204 HydrophobicContact CB-CB 3.73Å; L156-A204 HydrophobicContact CD1-CB 4.12Å; L156-I218 HydrophobicContact CD2-CG2 3.87Å; L156-L239 HydrophobicContact CD1-CD2 3.83Å; L156-L239 HydrophobicContact CD2-CD2 4.46Å
157	I	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-34.9	-179.6	64	161.8	0	0	0	112.2	Y121 H153 G154 K161 Y202 A204 L207	Y121-I157 HydrophobicContact CD2-CD1 4.49Å; H153-I157 WeakPolarHBondContact CE1-CG2 3.44Å; H153-I157 WeakPolarHBondContact O-CG1 3.48Å; H153-I157 PolarHBondContact O-N 2.82Å; G154-I157 VanDerWaalsContact O-CG1 3.25Å; G154-I157 WeakPolarHBondContact O-CG1 3.2Å; G154-I157 PolarHBondContact O-N 3.31Å; I157-K161 HydrophobicContact CB-CD 4.33Å; I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 WeakPolarHBondContact O-CD 3.41Å; I157-K161 WeakPolarHBondContact O-CG 3.05Å; I157-K161 PolarHBondContact O-N 2.82Å; I157-Y202 HydrophobicContact CD1-CD1 3.83Å; I157-A204 HydrophobicContact CG2-CB 4.2Å; I157-L207 HydrophobicContact CB-CD1 3.97Å; I157-L207 HydrophobicContact CG2-CD1 3.82Å
158	C	98.8	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-44.2	175.5	-72.2	0	0	0	0	110.7	T125 I145 G154 A155 L156 N162 Y166	T125-C158 HydrophobicContact CG2-CB 4.23Å; I145-C158 HydrophobicContact CD1-CB 3.84Å; G154-C158 VanDerWaalsContact O-CB 3.3Å; G154-C158 WeakPolarHBondContact O-CB 3.32Å; G154-C158 PolarHBondContact O-N 2.81Å; G154-C158 PolarHBondContact O-SG 3.42Å; A155-C158 PolarHBondContact O-N 3.32Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-C158 PolarHBondContact O-N 2.99Å; C158-N162 WeakPolarHBondContact O-CB 3.28Å; C158-N162 PolarHBondContact O-N 3.35Å; C158-N162 PolarHBondContact O-ND2 2.82Å; C158-Y166 HydrophobicContact CB-CE2 4.03Å; C158-Y166 WeakPolarHBondContact O-CE2 3.33Å
159	A	98.6	Very high	98.2	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-46.5	177.8	0	0	0	0	0	112.5	I145 A155 L156 N162 Y166 V169 L216	I145-A159 HydrophobicContact CG2-CB 4.36Å; A155-A159 PolarHBondContact O-N 3.44Å; L156-A159 PolarHBondContact O-N 3.3Å; A159-N162 CarbonylContact O-C 3.59Å; A159-N162 PolarHBondContact O-N 3.03Å; A159-Y166 HydrophobicContact CB-CD2 4.45Å; A159-V169 HydrophobicContact CB-CB 3.72Å; A159-V169 HydrophobicContact CB-CG1 3.88Å; A159-V169 HydrophobicContact CB-CG2 3.9Å; A159-L216 HydrophobicContact CB-CD1 4.37Å
160	L	98.5	Very high	98.2	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.058	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-36.9	-176.7	-68	166.3	0	0	0	112.7	L156 N162 A204 L207 A208 Y211 L216	L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 2.87Å; L160-N162 VanDerWaalsContact C-N 3.35Å; L160-A204 HydrophobicContact CD1-CB 4.14Å; L160-A204 WeakPolarHBondContact CD1-O 3.38Å; L160-L207 HydrophobicContact CB-CB 3.99Å; L160-L207 HydrophobicContact CD1-CB 4.02Å; L160-A208 HydrophobicContact CD1-CB 4.31Å; L160-A208 HydrophobicContact CD2-CB 4.49Å; L160-Y211 HydrophobicContact CB-CD2 4.38Å; L160-Y211 HydrophobicContact CD2-CD2 3.73Å; L160-Y211 HydrophobicContact CD2-CE2 4.29Å; L160-Y211 HydrophobicContact CD2-CG 3.93Å; L160-Y211 WeakPolarHBondContact O-CD2 3.33Å; L160-L216 HydrophobicContact CD2-CD1 4.24Å
161	K	98	Very high	98.2	Very high	61 Å²	61	18.2 Å²	18.2	27%	0.265	10%	0.101	S	C	.	.	H	α-helix	trans	-79.8	-14	179.1	-66.1	171	71.2	71.5	0	114	Y121 I157 P163 A201 L207	Y121-K161 HydrophobicContact CE2-CB 4.48Å; Y121-K161 HydrophobicContact CE2-CD 3.74Å; Y121-K161 WeakPolarHBondContact OH-CB 3.4Å; Y121-K161 WeakPolarHBondContact OH-CE 3.21Å; I157-K161 HydrophobicContact CB-CD 4.33Å; I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 WeakPolarHBondContact O-CD 3.41Å; I157-K161 WeakPolarHBondContact O-CG 3.05Å; I157-K161 PolarHBondContact O-N 2.82Å; K161-P163 VanDerWaalsContact C-CD 3.45Å; K161-P163 WeakPolarHBondContact O-CD 3.48Å; K161-A201 VanDerWaalsContact CD-O 3.3Å; K161-A201 WeakPolarHBondContact CD-O 3.4Å; K161-A201 WeakPolarHBondContact CE-O 3.42Å; K161-A201 PolarHBondContact NZ-O 3.26Å; K161-L207 HydrophobicContact CD-CD1 3.96Å; K161-L207 HydrophobicContact CG-CD1 3.66Å; K161-L207 HydrophobicContact CG-CD2 3.84Å; K161-L207 HydrophobicContact CG-CG 4.41Å
162	N	98	Very high	98.2	Very high	28 Å²	28	18.2 Å²	18.2	15%	0.15	10%	0.101	C	C	.	.	S	Bend	trans	-125.3	66.1	-177.4	-57.8	-91.6	0	0	0	110.3	Y121 C158 A159 L160 G164 K165 Y166	Y121-N162 PolarHBondContact OH-ND2 3.31Å; C158-N162 WeakPolarHBondContact O-CB 3.28Å; C158-N162 PolarHBondContact O-N 3.35Å; C158-N162 PolarHBondContact O-ND2 2.82Å; A159-N162 CarbonylContact O-C 3.59Å; A159-N162 PolarHBondContact O-N 3.03Å; L160-N162 VanDerWaalsContact C-N 3.35Å; N162-G164 PolarHBondContact O-N 3.22Å; N162-K165 HydrophobicContact CB-CB 3.68Å; N162-K165 HydrophobicContact CB-CD 3.62Å; N162-K165 HydrophobicContact CB-CG 4.28Å; N162-K165 VanDerWaalsContact O-CB 3.23Å; N162-K165 WeakPolarHBondContact O-CB 3.44Å; N162-K165 PolarHBondContact O-N 3.3Å; N162-Y166 HydrophobicContact CB-CE2 4.18Å
163	P	96.9	Very high	98.2	Very high	74 Å²	74	18.2 Å²	18.2	48%	0.481	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128	-176.4	24.8	-34.6	0	0	0	111.3	K161 K165 Y211	K161-P163 VanDerWaalsContact C-CD 3.45Å; K161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 2.88Å; P163-Y211 HydrophobicContact CB-CE2 4.05Å
164	G	94.8	Very high	98.2	Very high	44 Å²	44	18.2 Å²	18.2	45%	0.454	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-12	-178.3	0	0	0	0	0	115.7	N162	N162-G164 PolarHBondContact O-N 3.22Å
165	K	96.9	Very high	98.2	Very high	58 Å²	58	18.2 Å²	18.2	25%	0.252	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.5	-179.9	-174.7	170.5	-173.8	161	0	113.4	T125 E126 M143 N162 P163	T125-K165 WeakPolarHBondContact O-CE 3.28Å; T125-K165 PolarHBondContact O-NZ 3.11Å; E126-K165 IonicContact OE1-NZ 3.23Å; E126-K165 PolarHBondContact OE1-NZ 3.11Å; M143-K165 HydrophobicContact CE-CD 4.23Å; M143-K165 HydrophobicContact CE-CG 3.61Å; N162-K165 HydrophobicContact CB-CB 3.68Å; N162-K165 HydrophobicContact CB-CD 3.62Å; N162-K165 HydrophobicContact CB-CG 4.28Å; N162-K165 VanDerWaalsContact O-CB 3.23Å; N162-K165 WeakPolarHBondContact O-CB 3.44Å; N162-K165 PolarHBondContact O-N 3.3Å; P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 2.88Å
166	Y	97.9	Very high	98.2	Very high	8 Å²	8	18.2 Å²	18.2	3%	0.031	10%	0.101	C	C	.	.			trans	-113.1	131.6	-178.3	-57.8	-83.7	0	0	0	110.1	M143 I145 C158 A159 N162	M143-Y166 HydrophobicContact CE-CD1 3.78Å; M143-Y166 HydrophobicContact CE-CE1 3.34Å; M143-Y166 HydrophobicContact CG-CD1 3.92Å; M143-Y166 HydrophobicContact CG-CE1 3.96Å; M143-Y166 CarbonylContact O-C 3.59Å; M143-Y166 VanDerWaalsContact O-CA 3.31Å; M143-Y166 WeakPolarHBondContact O-CA 3.43Å; M143-Y166 HydrophobicContact SD-CD1 4.26Å; M143-Y166 HydrophobicContact SD-CE1 3.72Å; I145-Y166 HydrophobicContact CB-CD1 3.74Å; I145-Y166 HydrophobicContact CB-CE1 3.82Å; I145-Y166 HydrophobicContact CB-CG 4.41Å; I145-Y166 HydrophobicContact CD1-CE1 4.02Å; I145-Y166 HydrophobicContact CG1-CE1 4.49Å; I145-Y166 HydrophobicContact CG2-CD1 3.81Å; I145-Y166 HydrophobicContact CG2-CD2 4.44Å; I145-Y166 HydrophobicContact CG2-CE1 4.13Å; I145-Y166 HydrophobicContact CG2-CG 3.97Å; C158-Y166 HydrophobicContact CB-CE2 4.03Å; C158-Y166 WeakPolarHBondContact O-CE2 3.33Å; A159-Y166 HydrophobicContact CB-CD2 4.45Å; N162-Y166 HydrophobicContact CB-CE2 4.18Å
167	K	97.1	Very high	98.2	Very high	95 Å²	95	18.4 Å²	18.4	41%	0.413	10%	0.102	S	C	.	.	S	Bend	trans	-73.9	-31.5	179.8	-58.8	-59.5	-179.9	-173.8	0	112.6	D141 M143 L280	D141-K167 WeakPolarHBondContact O-CE 3.41Å; M143-K167 PolarHBondContact O-N 2.88Å; K167-L280 HydrophobicContact CB-CD2 4.14Å; K167-L280 HydrophobicContact CG-CD2 4.1Å
168	A	97.4	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.			trans	-149.7	157.6	175.1	0	0	0	0	0	111.2	S144 I145 Y279	S144-A168 VanDerWaalsContact CB-O 3.32Å; S144-A168 WeakPolarHBondContact CB-O 3.29Å; S144-A168 PolarHBondContact OG-N 2.82Å; S144-A168 VanDerWaalsContact OG-N 3.12Å; I145-A168 PolarHBondContact N-O 3.34Å; A168-Y279 HydrophobicContact CB-CD2 3.48Å; A168-Y279 VanDerWaalsContact CB-CD2 3.48Å; A168-Y279 HydrophobicContact CB-CE2 4.18Å; A168-Y279 HydrophobicContact CB-CG 3.96Å
169	V	98.7	Very high	98.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.5	172.2	60.7	0	0	0	0	110.4	I145 A155 L156 A159 I218 L219	I145-V169 HydrophobicContact CG2-CB 4.27Å; I145-V169 HydrophobicContact CG2-CG2 3.98Å; I145-V169 VanDerWaalsContact O-CA 3.29Å; I145-V169 WeakPolarHBondContact O-CA 3.45Å; A155-V169 HydrophobicContact CB-CG2 4.27Å; L156-V169 HydrophobicContact CD2-CG2 4.21Å; A159-V169 HydrophobicContact CB-CB 3.72Å; A159-V169 HydrophobicContact CB-CG1 3.88Å; A159-V169 HydrophobicContact CB-CG2 3.9Å; V169-I218 HydrophobicContact CG1-CB 4.43Å; V169-I218 HydrophobicContact CG1-CG1 3.87Å; V169-I218 HydrophobicContact CG1-CG2 4.36Å; V169-L219 PolarHBondContact O-N 3.06Å
170	S	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	162.3	170.7	71	0	0	0	0	111.9	I145 S146 G147 L219 H272 H276	I145-S170 PolarHBondContact O-N 3.34Å; S146-S170 WeakPolarHBondContact CA-O 3.31Å; S146-S170 WeakPolarHBondContact CB-OG 3.23Å; S146-S170 PolarHBondContact OG-O 3.33Å; S146-S170 PolarHBondContact OG-OG 3.49Å; G147-S170 PolarHBondContact N-O 3.22Å; S170-L219 CarbonylContact C-O 3.26Å; S170-L219 WeakPolarHBondContact CA-O 3.34Å; S170-L219 VanDerWaalsContact CB-O 3.23Å; S170-L219 WeakPolarHBondContact CB-O 3.44Å; S170-H272 WeakPolarHBondContact CB-ND1 3.28Å; S170-H272 PolarHBondContact OG-ND1 2.8Å; S170-H276 PolarHBondContact OG-NE2 2.91Å
171	A	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.7	176.6	0	0	0	0	0	113.4	G147 P174 L219 I220 D221	G147-A171 CarbonylContact O-C 3.58Å; G147-A171 WeakPolarHBondContact O-CA 3.31Å; A171-P174 HydrophobicContact CB-CB 3.78Å; A171-P174 HydrophobicContact CB-CG 3.8Å; A171-L219 PolarHBondContact N-O 3.48Å; A171-I220 WeakPolarHBondContact O-CA 3.47Å; A171-D221 PolarHBondContact O-N 2.92Å
172	F	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.6	169.1	-69.2	-99.7	0	0	0	108.8	W50 G147 H148 S149 P174 D221 F264 I265 F268 I269 H272	W50-F172 AromaticContact CH2-CD2 3.81Å; W50-F172 HydrophobicContact CH2-CD2 3.81Å; W50-F172 HydrophobicContact CH2-CE2 4.25Å; W50-F172 HydrophobicContact CH2-CG 4.49Å; W50-F172 AromaticContact CZ3-CD2 3.74Å; W50-F172 HydrophobicContact CZ3-CD2 3.74Å; W50-F172 AromaticContact CZ3-CE2 3.86Å; W50-F172 HydrophobicContact CZ3-CE2 3.86Å; G147-F172 PolarHBondContact O-N 3.27Å; H148-F172 CarbonylContact C-O 3.5Å; H148-F172 VanDerWaalsContact CA-O 3.3Å; H148-F172 WeakPolarHBondContact CA-O 3.32Å; H148-F172 HydrophobicContact CB-CB 4.27Å; H148-F172 PolarHBondContact CD2-O 3.49Å; S149-F172 PolarHBondContact N-O 2.83Å; F172-P174 VanDerWaalsContact C-CD 3.45Å; F172-P174 VanDerWaalsContact C-N 3.33Å; F172-D221 CarbonylContact C-O 3.58Å; F172-D221 WeakPolarHBondContact CA-O 3.34Å; F172-D221 HydrophobicContact CD1-CB 4.32Å; F172-F264 HydrophobicContact CB-CE1 4.03Å; F172-F264 HydrophobicContact CD1-CD1 4.48Å; F172-F264 AromaticContact CD1-CE1 3.86Å; F172-F264 HydrophobicContact CD1-CE1 3.86Å; F172-F264 AromaticContact CD1-CZ 3.87Å; F172-F264 HydrophobicContact CD1-CZ 3.87Å; F172-F264 HydrophobicContact CG-CE1 4.47Å; F172-I265 HydrophobicContact CB-CG1 4.27Å; F172-I265 HydrophobicContact CD1-CB 4.28Å; F172-I265 HydrophobicContact CD1-CG1 4.07Å; F172-I265 HydrophobicContact CD1-CG2 4.29Å; F172-I265 HydrophobicContact CE1-CB 4.39Å; F172-I265 HydrophobicContact CE1-CG2 4.16Å; F172-I265 HydrophobicContact CE2-CG2 4.43Å; F172-I265 HydrophobicContact CG-CG1 4.21Å; F172-I265 HydrophobicContact CG-CG2 4.45Å; F172-I265 HydrophobicContact CZ-CG2 4.27Å; F172-F268 HydrophobicContact CE1-CB 3.92Å; F172-F268 HydrophobicContact CZ-CB 4.45Å; F172-I269 HydrophobicContact CE2-CD1 4.08Å; F172-I269 HydrophobicContact CZ-CD1 4.17Å; F172-H272 AromaticContact CD2-CE1 3.88Å; F172-H272 AromaticContact CD2-ND1 3.99Å; F172-H272 AromaticContact CE1-CD2 3.95Å; F172-H272 AromaticContact CE1-NE2 3.86Å; F172-H272 HydrophobicContact CE2-CB 4.03Å; F172-H272 AromaticContact CE2-CD2 3.65Å; F172-H272 AromaticContact CE2-CE1 3.51Å; F172-H272 AromaticContact CE2-CG 3.41Å; F172-H272 VanDerWaalsContact CE2-CG 3.41Å; F172-H272 AromaticContact CE2-ND1 3.32Å; F172-H272 VanDerWaalsContact CE2-ND1 3.32Å; F172-H272 WeakPolarHBondContact CE2-ND1 3.23Å; F172-H272 AromaticContact CE2-NE2 3.71Å; F172-H272 HydrophobicContact CZ-CB 4.09Å; F172-H272 AromaticContact CZ-CD2 3.23Å; F172-H272 WeakPolarHBondContact CZ-CD2 3.34Å; F172-H272 AromaticContact CZ-CE1 3.78Å; F172-H272 AromaticContact CZ-CG 3.44Å; F172-H272 VanDerWaalsContact CZ-CG 3.44Å; F172-H272 AromaticContact CZ-ND1 3.78Å; F172-H272 AromaticContact CZ-NE2 3.46Å; F172-H272 WeakPolarHBondContact CZ-NE2 3.29Å
173	A	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	42.1	51.5	178.8	0	0	0	0	0	114	S149 D221 D226 L234 F264	S149-A173 VanDerWaalsContact CA-O 3.22Å; S149-A173 WeakPolarHBondContact CA-O 3.4Å; S149-A173 PolarHBondContact N-O 3.27Å; A173-D221 PolarHBondContact N-O 3.49Å; A173-D226 WeakPolarHBondContact CB-OD2 3.25Å; A173-L234 HydrophobicContact CB-CD1 3.97Å; A173-L234 WeakPolarHBondContact O-CD2 3.47Å; A173-F264 HydrophobicContact CB-CE1 4.22Å
174	P	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.			trans	-66	149.1	-173.3	25.6	-34	0	0	0	113.7	L156 A171 F172 C176 I220 L234	L156-P174 HydrophobicContact CD1-CB 3.78Å; L156-P174 HydrophobicContact CD1-CG 4.18Å; A171-P174 HydrophobicContact CB-CB 3.78Å; A171-P174 HydrophobicContact CB-CG 3.8Å; F172-P174 VanDerWaalsContact C-CD 3.45Å; F172-P174 VanDerWaalsContact C-N 3.33Å; P174-C176 VanDerWaalsContact CG-SG 3.51Å; P174-C176 PolarHBondContact O-N 2.79Å; P174-I220 HydrophobicContact CG-CD1 4.24Å; P174-I220 HydrophobicContact CG-CG1 4.48Å; P174-I220 HydrophobicContact CG-CG2 3.84Å; P174-L234 WeakPolarHBondContact O-CB 3.31Å
175	I	98.9	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.			trans	-77.1	94.5	160.8	-57.5	166.2	0	0	0	108.2	F105 S149 M150 H153 P178 W183 Q233 L234	F105-I175 HydrophobicContact CE1-CD1 4.2Å; S149-I175 PolarHBondContact O-N 3.15Å; M150-I175 HydrophobicContact CB-CD1 4.36Å; H153-I175 HydrophobicContact CB-CB 3.96Å; H153-I175 VanDerWaalsContact CB-O 3.31Å; H153-I175 WeakPolarHBondContact CB-O 3.45Å; H153-I175 PolarHBondContact ND1-O 2.87Å; I175-P178 HydrophobicContact CG2-CB 3.88Å; I175-P178 HydrophobicContact CG2-CG 4.49Å; I175-W183 HydrophobicContact CD1-CE3 3.77Å; I175-W183 HydrophobicContact CD1-CZ3 4.26Å; I175-W183 HydrophobicContact CG1-CE3 4.37Å; I175-Q233 WeakPolarHBondContact CG2-O 3.49Å; I175-L234 HydrophobicContact CG1-CD2 3.95Å
176	C	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.			trans	-80.6	-30.5	-171.4	-76	0	0	0	0	114.4	P174 T205 L234 L235 L239	P174-C176 VanDerWaalsContact CG-SG 3.51Å; P174-C176 PolarHBondContact O-N 2.79Å; C176-T205 PolarHBondContact O-N 3.21Å; C176-T205 VanDerWaalsContact O-N 3.15Å; C176-T205 PolarHBondContact O-OG1 2.77Å; C176-L234 VanDerWaalsContact CB-O 3.32Å; C176-L234 WeakPolarHBondContact CB-O 3.47Å; C176-L234 PolarHBondContact N-O 2.86Å; C176-L235 WeakPolarHBondContact CB-O 3.43Å; C176-L239 HydrophobicContact CB-CB 3.79Å; C176-L239 HydrophobicContact CB-CD2 4.2Å; C176-L239 VanDerWaalsContact SG-CD2 3.53Å
177	N	98.8	Very high	98.6	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.11	C	C	.	.			trans	-135.8	62.5	-175.1	-160.9	-174.6	0	0	0	111.9	V179 Q180 C181 D203 T205 L235 N238	N177-V179 PolarHBondContact O-N 3.43Å; N177-V179 VanDerWaalsContact O-N 3.12Å; N177-Q180 PolarHBondContact O-N 3.03Å; N177-Q180 VanDerWaalsContact OD1-CD 3.27Å; N177-Q180 PolarHBondContact OD1-NE2 3.28Å; N177-C181 PolarHBondContact O-N 2.8Å; N177-D203 VanDerWaalsContact CA-OD2 3.3Å; N177-D203 WeakPolarHBondContact CA-OD2 3.5Å; N177-D203 VanDerWaalsContact ND2-CG 3.32Å; N177-D203 PolarHBondContact ND2-OD1 3.37Å; N177-D203 PolarHBondContact ND2-OD2 2.96Å; N177-T205 WeakPolarHBondContact CB-OG1 3.3Å; N177-L235 HydrophobicContact CB-CB 4.04Å; N177-L235 HydrophobicContact CB-CD1 4.06Å; N177-N238 HydrophobicContact CB-CB 4.27Å; N177-N238 PolarHBondContact OD1-ND2 2.87Å
178	P	98.7	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-57.6	-24.2	-174.2	24.2	-36.8	0	0	0	115.2	I175 Q180 C181 G184 Q185 F188 D203	I175-P178 HydrophobicContact CG2-CB 3.88Å; I175-P178 HydrophobicContact CG2-CG 4.49Å; P178-Q180 PolarHBondContact O-N 3.44Å; P178-C181 PolarHBondContact O-N 3.32Å; P178-G184 CarbonylContact O-C 3.58Å; P178-G184 VanDerWaalsContact O-CA 3.24Å; P178-G184 WeakPolarHBondContact O-CA 3.36Å; P178-Q185 PolarHBondContact O-N 3.04Å; P178-F188 HydrophobicContact CB-CD2 4.41Å; P178-F188 HydrophobicContact CB-CE2 3.5Å; P178-F188 HydrophobicContact CB-CZ 3.58Å; P178-F188 HydrophobicContact CG-CE2 3.54Å; P178-F188 HydrophobicContact CG-CZ 3.51Å; P178-D203 WeakPolarHBondContact CD-OD2 3.09Å; P178-D203 HydrophobicContact CG-CB 4.2Å; P178-D203 VanDerWaalsContact N-OD2 3.08Å
179	V	98.5	Very high	98.7	Very high	22 Å²	22	21.5 Å²	21.5	13%	0.133	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-66.3	-20.2	174.6	-53.9	0	0	0	0	112.8	N177 Q185 F188 W199 D203	N177-V179 PolarHBondContact O-N 3.43Å; N177-V179 VanDerWaalsContact O-N 3.12Å; V179-Q185 PolarHBondContact O-NE2 3.35Å; V179-Q185 VanDerWaalsContact O-NE2 3.17Å; V179-F188 HydrophobicContact CG1-CD2 4.25Å; V179-F188 HydrophobicContact CG1-CE2 4.07Å; V179-W199 HydrophobicContact CB-CE3 4.19Å; V179-W199 HydrophobicContact CG1-CB 3.61Å; V179-W199 HydrophobicContact CG1-CE3 4.19Å; V179-D203 HydrophobicContact CG1-CB 3.93Å; V179-D203 WeakPolarHBondContact CG1-OD2 3.3Å; V179-D203 WeakPolarHBondContact CG2-OD2 3.25Å; V179-D203 PolarHBondContact N-OD2 2.78Å
180	Q	98.5	Very high	98.7	Very high	120 Å²	120	22.4 Å²	22.4	56%	0.561	12%	0.121	S	C	*	.	G	3₁₀ helix	trans	-107.1	-2.7	-178.2	-58.9	-162.2	23.8	0	0	114.1	N177 P178 L235	N177-Q180 PolarHBondContact O-N 3.03Å; N177-Q180 VanDerWaalsContact OD1-CD 3.27Å; N177-Q180 PolarHBondContact OD1-NE2 3.28Å; P178-Q180 PolarHBondContact O-N 3.44Å; Q180-L235 HydrophobicContact CB-CD1 3.79Å
181	C	98.4	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-111.9	151.3	-179.5	82.4	0	0	0	0	113.5	N177 P178 W183 G184 Q185 S232 Q233 L235	N177-C181 PolarHBondContact O-N 2.8Å; P178-C181 PolarHBondContact O-N 3.32Å; C181-W183 PolarHBondContact O-N 3.1Å; C181-G184 PolarHBondContact O-N 2.86Å; C181-G184 PolarHBondContact SG-N 3.08Å; C181-G184 VanDerWaalsContact SG-N 3.42Å; C181-Q185 WeakPolarHBondContact O-CB 3.48Å; C181-Q185 VanDerWaalsContact O-CG 3.26Å; C181-Q185 WeakPolarHBondContact O-CG 3.28Å; C181-Q185 PolarHBondContact O-N 3.01Å; C181-S232 VanDerWaalsContact CB-O 3.31Å; C181-S232 WeakPolarHBondContact CB-O 3.38Å; C181-Q233 WeakPolarHBondContact CB-O 3.11Å; C181-Q233 PolarHBondContact SG-O 2.91Å; C181-L235 HydrophobicContact CB-CD1 3.93Å
182	P	98.6	Very high	98.7	Very high	71 Å²	71	22.8 Å²	22.8	46%	0.461	12%	0.123	S	C	.	.	H	α-helix	trans	-57	-43	-175.7	-26.8	34.1	0	0	0	114.5	Q185 K186	P182-Q185 PolarHBondContact O-N 3.22Å; P182-K186 PolarHBondContact O-N 3.3Å
183	W	98.6	Very high	98.7	Very high	16 Å²	16	23.3 Å²	23.3	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-46.9	178.7	-72.3	-23.9	0	0	0	112.3	L54 W97 F105 I175 C181 Q185 K186 A187 F228 Q233	L54-W183 HydrophobicContact CD1-CD2 4.17Å; L54-W183 HydrophobicContact CD1-CE3 4.17Å; L54-W183 HydrophobicContact CD1-CZ3 4.32Å; W97-W183 AromaticContact CH2-CE2 3.69Å; W97-W183 HydrophobicContact CH2-CH2 4.46Å; W97-W183 AromaticContact CH2-CZ2 3.5Å; W97-W183 HydrophobicContact CH2-CZ2 3.5Å; W97-W183 AromaticContact CH2-NE1 3.57Å; W97-W183 HydrophobicContact CZ3-CZ2 4.18Å; F105-W183 HydrophobicContact CZ-CB 4.07Å; I175-W183 HydrophobicContact CD1-CE3 3.77Å; I175-W183 HydrophobicContact CD1-CZ3 4.26Å; I175-W183 HydrophobicContact CG1-CE3 4.37Å; C181-W183 PolarHBondContact O-N 3.1Å; W183-Q185 PolarHBondContact O-N 3.4Å; W183-K186 PolarHBondContact O-N 3.5Å; W183-A187 WeakPolarHBondContact O-CB 3.44Å; W183-A187 PolarHBondContact O-N 3.44Å; W183-F228 HydrophobicContact CH2-CB 3.91Å; W183-F228 AromaticContact CH2-CD1 3.18Å; W183-F228 HydrophobicContact CH2-CD1 3.18Å; W183-F228 AromaticContact CH2-CD2 3.8Å; W183-F228 HydrophobicContact CH2-CD2 3.8Å; W183-F228 AromaticContact CH2-CE1 3.46Å; W183-F228 HydrophobicContact CH2-CE1 3.46Å; W183-F228 VanDerWaalsContact CH2-CE1 3.46Å; W183-F228 HydrophobicContact CH2-CE2 4.02Å; W183-F228 AromaticContact CH2-CG 3.35Å; W183-F228 HydrophobicContact CH2-CG 3.35Å; W183-F228 AromaticContact CH2-CZ 3.86Å; W183-F228 HydrophobicContact CH2-CZ 3.86Å; W183-F228 AromaticContact CZ2-CD1 3.38Å; W183-F228 HydrophobicContact CZ2-CD1 3.38Å; W183-F228 AromaticContact CZ2-CE1 3.41Å; W183-F228 HydrophobicContact CZ2-CE1 3.41Å; W183-F228 VanDerWaalsContact CZ2-CE1 3.41Å; W183-F228 HydrophobicContact CZ2-CG 4.06Å; W183-F228 HydrophobicContact CZ2-CZ 4.1Å; W183-F228 HydrophobicContact CZ3-CB 4.29Å; W183-F228 HydrophobicContact CZ3-CD1 4.29Å; W183-F228 HydrophobicContact CZ3-CG 4.17Å; W183-Q233 HydrophobicContact CD2-CB 4.12Å; W183-Q233 HydrophobicContact CD2-CG 3.73Å; W183-Q233 HydrophobicContact CE3-CB 3.59Å; W183-Q233 HydrophobicContact CE3-CG 3.71Å; W183-Q233 HydrophobicContact CG-CG 4.4Å; W183-Q233 HydrophobicContact CH2-CB 4.25Å; W183-Q233 HydrophobicContact CH2-CG 4Å; W183-Q233 HydrophobicContact CZ2-CG 3.93Å; W183-Q233 HydrophobicContact CZ3-CB 3.69Å; W183-Q233 HydrophobicContact CZ3-CG 3.88Å
184	G	98.6	Very high	98.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-40.7	178.7	0	0	0	0	0	112	P178 C181 K186 A187 F188	P178-G184 CarbonylContact O-C 3.58Å; P178-G184 VanDerWaalsContact O-CA 3.24Å; P178-G184 WeakPolarHBondContact O-CA 3.36Å; C181-G184 PolarHBondContact O-N 2.86Å; C181-G184 PolarHBondContact SG-N 3.08Å; C181-G184 VanDerWaalsContact SG-N 3.42Å; G184-K186 PolarHBondContact O-N 3.23Å; G184-A187 PolarHBondContact O-N 2.95Å; G184-F188 VanDerWaalsContact O-CB 3.24Å; G184-F188 WeakPolarHBondContact O-CB 3.31Å; G184-F188 WeakPolarHBondContact O-CG 3.34Å; G184-F188 PolarHBondContact O-N 2.95Å
185	Q	98.7	Very high	98.4	Very high	62 Å²	62	32.2 Å²	32.2	29%	0.29	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-43.6	176	-71.5	177.4	5.5	0	0	112.3	P178 V179 C181 P182 W183 T189 W199	P178-Q185 PolarHBondContact O-N 3.04Å; V179-Q185 PolarHBondContact O-NE2 3.35Å; V179-Q185 VanDerWaalsContact O-NE2 3.17Å; C181-Q185 WeakPolarHBondContact O-CB 3.48Å; C181-Q185 VanDerWaalsContact O-CG 3.26Å; C181-Q185 WeakPolarHBondContact O-CG 3.28Å; C181-Q185 PolarHBondContact O-N 3.01Å; P182-Q185 PolarHBondContact O-N 3.22Å; W183-Q185 PolarHBondContact O-N 3.4Å; Q185-T189 VanDerWaalsContact O-CB 3.23Å; Q185-T189 WeakPolarHBondContact O-CB 3.48Å; Q185-T189 PolarHBondContact O-N 3.21Å; Q185-T189 PolarHBondContact O-OG1 3.24Å; Q185-W199 HydrophobicContact CB-CH2 4.39Å; Q185-W199 HydrophobicContact CB-CZ3 4.3Å; Q185-W199 HydrophobicContact CG-CH2 4.47Å; Q185-W199 HydrophobicContact CG-CZ3 3.96Å
186	K	98.6	Very high	98.3	Very high	85 Å²	85	39.1 Å²	39.1	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-53.2	175.8	-178.3	179.6	179.8	177.6	0	110.9	S96 D98 P182 W183 G184 F188 T189 G190	S96-K186 PolarHBondContact OG-NZ 2.9Å; S96-K186 VanDerWaalsContact OG-NZ 3.11Å; D98-K186 VanDerWaalsContact CG-NZ 3.32Å; D98-K186 IonicContact OD1-NZ 3.4Å; D98-K186 PolarHBondContact OD1-NZ 2.71Å; D98-K186 IonicContact OD2-NZ 3.47Å; D98-K186 PolarHBondContact OD2-NZ 2.85Å; P182-K186 PolarHBondContact O-N 3.3Å; W183-K186 PolarHBondContact O-N 3.5Å; G184-K186 PolarHBondContact O-N 3.23Å; K186-F188 PolarHBondContact O-N 3.33Å; K186-T189 PolarHBondContact O-N 2.94Å; K186-G190 PolarHBondContact O-N 3.49Å
187	A	98.7	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-45.1	-176.9	0	0	0	0	0	112.6	F105 W183 G184 G190 Y191	F105-A187 HydrophobicContact CB-CB 4.32Å; F105-A187 HydrophobicContact CD1-CB 3.87Å; F105-A187 HydrophobicContact CD2-CB 3.34Å; F105-A187 HydrophobicContact CE1-CB 3.98Å; F105-A187 HydrophobicContact CE2-CB 3.47Å; F105-A187 VanDerWaalsContact CE2-CB 3.47Å; F105-A187 HydrophobicContact CG-CB 3.56Å; F105-A187 HydrophobicContact CZ-CB 3.8Å; W183-A187 WeakPolarHBondContact O-CB 3.44Å; W183-A187 PolarHBondContact O-N 3.44Å; G184-A187 PolarHBondContact O-N 2.95Å; A187-G190 PolarHBondContact O-N 3.3Å; A187-Y191 HydrophobicContact CB-CD2 4.24Å; A187-Y191 HydrophobicContact CB-CE2 4.28Å; A187-Y191 WeakPolarHBondContact O-CB 3.45Å; A187-Y191 WeakPolarHBondContact O-CD2 3.33Å; A187-Y191 PolarHBondContact O-N 3.26Å
188	F	98.8	Very high	98.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-35.9	-179.9	-65.4	-14	0	0	0	112.7	F105 V107 P178 V179 G184 K186 G190 L192 G193 W199 Y202	F105-F188 HydrophobicContact CD1-CE1 4.48Å; V107-F188 HydrophobicContact CG1-CD1 4.33Å; V107-F188 HydrophobicContact CG1-CE1 3.79Å; P178-F188 HydrophobicContact CB-CD2 4.41Å; P178-F188 HydrophobicContact CB-CE2 3.5Å; P178-F188 HydrophobicContact CB-CZ 3.58Å; P178-F188 HydrophobicContact CG-CE2 3.54Å; P178-F188 HydrophobicContact CG-CZ 3.51Å; V179-F188 HydrophobicContact CG1-CD2 4.25Å; V179-F188 HydrophobicContact CG1-CE2 4.07Å; G184-F188 VanDerWaalsContact O-CB 3.24Å; G184-F188 WeakPolarHBondContact O-CB 3.31Å; G184-F188 WeakPolarHBondContact O-CG 3.34Å; G184-F188 PolarHBondContact O-N 2.95Å; K186-F188 PolarHBondContact O-N 3.33Å; F188-G190 VanDerWaalsContact C-N 3.3Å; F188-G190 PolarHBondContact O-N 3.2Å; F188-L192 HydrophobicContact CB-CD1 4.26Å; F188-L192 HydrophobicContact CD1-CD1 3.97Å; F188-L192 HydrophobicContact CG-CD1 4.14Å; F188-L192 CarbonylContact O-C 3.55Å; F188-L192 WeakPolarHBondContact O-CA 3.49Å; F188-L192 VanDerWaalsContact O-CB 3.29Å; F188-L192 WeakPolarHBondContact O-CB 3.42Å; F188-L192 PolarHBondContact O-N 2.96Å; F188-G193 PolarHBondContact O-N 3.16Å; F188-G193 VanDerWaalsContact O-N 3.1Å; F188-W199 HydrophobicContact CB-CB 4.35Å; F188-W199 HydrophobicContact CB-CD2 3.43Å; F188-W199 VanDerWaalsContact CB-CD2 3.43Å; F188-W199 VanDerWaalsContact CB-CE2 3.46Å; F188-W199 HydrophobicContact CB-CE3 3.99Å; F188-W199 HydrophobicContact CB-CG 3.61Å; F188-W199 HydrophobicContact CB-CH2 4.48Å; F188-W199 HydrophobicContact CB-CZ2 4.02Å; F188-W199 HydrophobicContact CB-CZ3 4.48Å; F188-W199 HydrophobicContact CD2-CB 3.6Å; F188-W199 AromaticContact CD2-CD2 3.85Å; F188-W199 HydrophobicContact CD2-CD2 3.85Å; F188-W199 AromaticContact CD2-CE3 3.93Å; F188-W199 HydrophobicContact CD2-CE3 3.93Å; F188-W199 AromaticContact CD2-CG 3.75Å; F188-W199 HydrophobicContact CD2-CG 3.75Å; F188-W199 HydrophobicContact CE2-CB 4.15Å; F188-W199 HydrophobicContact CG-CB 4.26Å; F188-W199 HydrophobicContact CG-CD2 4.14Å; F188-W199 HydrophobicContact CG-CG 4.04Å; F188-W199 PolarHBondContact O-NE1 3.33Å; F188-Y202 WeakPolarHBondContact CZ-O 3.44Å
189	T	98.7	Very high	98.1	Very high	70 Å²	70	44.2 Å²	44.2	43%	0.429	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-45.6	171.5	-58	0	0	0	0	110.6	Q185 K186 G193 W199	Q185-T189 VanDerWaalsContact O-CB 3.23Å; Q185-T189 WeakPolarHBondContact O-CB 3.48Å; Q185-T189 PolarHBondContact O-N 3.21Å; Q185-T189 PolarHBondContact O-OG1 3.24Å; K186-T189 PolarHBondContact O-N 2.94Å; T189-G193 VanDerWaalsContact O-CA 3.22Å; T189-G193 WeakPolarHBondContact O-CA 3.43Å; T189-G193 PolarHBondContact O-N 3.35Å; T189-G193 VanDerWaalsContact O-N 3.14Å; T189-W199 WeakPolarHBondContact OG1-CH2 3.34Å; T189-W199 VanDerWaalsContact OG1-CZ2 3.23Å; T189-W199 WeakPolarHBondContact OG1-CZ2 3.47Å
190	G	98.7	Very high	98.1	Very high	21 Å²	21	48 Å²	48	22%	0.216	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-47.8	179.9	0	0	0	0	0	113.6	Q111 W114 K186 A187 F188	Q111-G190 WeakPolarHBondContact CB-O 3.28Å; W114-G190 PolarHBondContact NE1-O 2.76Å; K186-G190 PolarHBondContact O-N 3.49Å; A187-G190 PolarHBondContact O-N 3.3Å; F188-G190 VanDerWaalsContact C-N 3.3Å; F188-G190 PolarHBondContact O-N 3.2Å
191	Y	98.8	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-86.1	-35.9	-173.3	-65.2	-45.8	0	0	0	114.5	F99 G100 A103 F105 V107 A109 T110 Q111 W114 Y118 A187	F99-Y191 HydrophobicContact CD2-CE1 4.45Å; F99-Y191 AromaticContact CD2-CE2 3.96Å; F99-Y191 HydrophobicContact CD2-CE2 3.96Å; F99-Y191 AromaticContact CD2-CZ 3.88Å; F99-Y191 AromaticContact CE2-CD1 3.94Å; F99-Y191 HydrophobicContact CE2-CD1 3.94Å; F99-Y191 AromaticContact CE2-CD2 3.97Å; F99-Y191 HydrophobicContact CE2-CD2 3.97Å; F99-Y191 AromaticContact CE2-CE1 3.62Å; F99-Y191 HydrophobicContact CE2-CE1 3.62Å; F99-Y191 AromaticContact CE2-CE2 3.66Å; F99-Y191 HydrophobicContact CE2-CE2 3.66Å; F99-Y191 HydrophobicContact CE2-CG 4.1Å; F99-Y191 AromaticContact CE2-CZ 3.47Å; F99-Y191 VanDerWaalsContact CE2-CZ 3.47Å; F99-Y191 HydrophobicContact CZ-CD1 4.05Å; F99-Y191 AromaticContact CZ-CE1 3.67Å; F99-Y191 HydrophobicContact CZ-CE1 3.67Å; F99-Y191 AromaticContact CZ-CZ 3.94Å; G100-Y191 VanDerWaalsContact CA-OH 3.28Å; G100-Y191 WeakPolarHBondContact CA-OH 3.37Å; G100-Y191 PolarHBondContact N-OH 2.93Å; A103-Y191 WeakPolarHBondContact O-CE2 3.36Å; A103-Y191 PolarHBondContact O-OH 3.08Å; A103-Y191 VanDerWaalsContact O-OH 3.06Å; F105-Y191 HydrophobicContact CB-CE2 4.5Å; F105-Y191 HydrophobicContact CD2-CE2 4.49Å; V107-Y191 HydrophobicContact CG2-CD2 3.98Å; V107-Y191 HydrophobicContact CG2-CG 4.16Å; A109-Y191 CarbonylContact C-O 3.53Å; A109-Y191 WeakPolarHBondContact CA-O 3.38Å; A109-Y191 HydrophobicContact CB-CD1 3.93Å; A109-Y191 HydrophobicContact CB-CG 4.22Å; T110-Y191 PolarHBondContact N-O 3.25Å; Q111-Y191 PolarHBondContact N-O 3.3Å; Q111-Y191 VanDerWaalsContact N-O 3.08Å; W114-Y191 HydrophobicContact CB-CD1 3.69Å; W114-Y191 HydrophobicContact CB-CE1 4.03Å; W114-Y191 HydrophobicContact CD2-CD1 4.19Å; W114-Y191 AromaticContact CD2-CE1 3.93Å; W114-Y191 HydrophobicContact CD2-CE1 3.93Å; W114-Y191 HydrophobicContact CE3-CE1 4.09Å; W114-Y191 AromaticContact CG-CD1 3.65Å; W114-Y191 HydrophobicContact CG-CD1 3.65Å; W114-Y191 AromaticContact CG-CE1 3.86Å; W114-Y191 HydrophobicContact CG-CE1 3.86Å; Y118-Y191 HydrophobicContact CD1-CD1 4.45Å; Y118-Y191 AromaticContact CD1-CE1 3.52Å; Y118-Y191 HydrophobicContact CD1-CE1 3.52Å; Y118-Y191 AromaticContact CD1-CZ 3.63Å; Y118-Y191 WeakPolarHBondContact CD1-OH 3.34Å; Y118-Y191 HydrophobicContact CE1-CE1 4.04Å; Y118-Y191 AromaticContact CE1-CZ 3.96Å; Y118-Y191 VanDerWaalsContact CE1-OH 3.24Å; Y118-Y191 WeakPolarHBondContact CE1-OH 3.26Å; Y118-Y191 HydrophobicContact CG-CD1 4.46Å; Y118-Y191 AromaticContact CG-CE1 3.82Å; Y118-Y191 HydrophobicContact CG-CE1 3.82Å; A187-Y191 HydrophobicContact CB-CD2 4.24Å; A187-Y191 HydrophobicContact CB-CE2 4.28Å; A187-Y191 WeakPolarHBondContact O-CB 3.45Å; A187-Y191 WeakPolarHBondContact O-CD2 3.33Å; A187-Y191 PolarHBondContact O-N 3.26Å
192	L	98.8	Very high	98.1	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-110.9	-18.8	-171.1	-52.5	178.1	0	0	0	112.3	V107 N108 T110 Q111 F188 Y202	V107-L192 HydrophobicContact CB-CD2 4.45Å; V107-L192 HydrophobicContact CG2-CD2 4.5Å; N108-L192 WeakPolarHBondContact O-CD2 3.35Å; T110-L192 PolarHBondContact OG1-O 3.19Å; Q111-L192 PolarHBondContact NE2-O 3.05Å; F188-L192 HydrophobicContact CB-CD1 4.26Å; F188-L192 HydrophobicContact CD1-CD1 3.97Å; F188-L192 HydrophobicContact CG-CD1 4.14Å; F188-L192 CarbonylContact O-C 3.55Å; F188-L192 WeakPolarHBondContact O-CA 3.49Å; F188-L192 VanDerWaalsContact O-CB 3.29Å; F188-L192 WeakPolarHBondContact O-CB 3.42Å; F188-L192 PolarHBondContact O-N 2.96Å; L192-Y202 HydrophobicContact CD1-CD2 3.67Å; L192-Y202 HydrophobicContact CD1-CE2 4.18Å; L192-Y202 HydrophobicContact CD2-CD2 4.39Å; L192-Y202 HydrophobicContact CD2-CE2 4.07Å
193	G	98.6	Very high	98.1	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	24%	0.24	C	C	.	.			trans	97.3	-177.8	179	0	0	0	0	0	112.7	F188 T189 D195 W199	F188-G193 PolarHBondContact O-N 3.16Å; F188-G193 VanDerWaalsContact O-N 3.1Å; T189-G193 VanDerWaalsContact O-CA 3.22Å; T189-G193 WeakPolarHBondContact O-CA 3.43Å; T189-G193 PolarHBondContact O-N 3.35Å; T189-G193 VanDerWaalsContact O-N 3.14Å; G193-D195 VanDerWaalsContact C-N 3.28Å; G193-D195 PolarHBondContact O-N 2.94Å; G193-W199 PolarHBondContact O-NE1 3Å
194	A	96.6	Very high	98.1	Very high	89 Å²	89	41.4 Å²	41.4	74%	0.736	24%	0.237	S	C	*	.	S	Bend	trans	-74.1	-14.7	-174.4	0	0	0	0	0	114.5	R196	A194-R196 PolarHBondContact O-N 3.37Å
195	D	95.9	Very high	98.2	Very high	99 Å²	99	42 Å²	42	53%	0.529	24%	0.241	S	C	.	.			trans	-73.9	105.2	176.6	-179.5	4.7	0	0	0	110.5	G193 S197 A198 W199	G193-D195 VanDerWaalsContact C-N 3.28Å; G193-D195 PolarHBondContact O-N 2.94Å; D195-S197 PolarHBondContact O-N 2.92Å; D195-S197 WeakPolarHBondContact OD1-CB 3.42Å; D195-S197 PolarHBondContact OD1-N 3.13Å; D195-S197 PolarHBondContact OD1-OG 3.13Å; D195-S197 PolarHBondContact OD2-OG 3.34Å; D195-A198 WeakPolarHBondContact O-CB 3.49Å; D195-A198 PolarHBondContact O-N 2.89Å; D195-W199 VanDerWaalsContact O-CD1 3.31Å; D195-W199 PolarHBondContact O-NE1 2.92Å
196	R	96.3	Very high	98.1	Very high	145 Å²	145	41.2 Å²	41.2	55%	0.547	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.1	-178.6	-66.9	-171.5	172.2	-161.5	-4.2	113.6	A194 A198 W199	A194-R196 PolarHBondContact O-N 3.37Å; R196-A198 PolarHBondContact O-N 2.93Å; R196-W199 HydrophobicContact CB-CD2 4.34Å; R196-W199 HydrophobicContact CB-CE3 4.37Å; R196-W199 HydrophobicContact CG-CD2 4.13Å; R196-W199 HydrophobicContact CG-CE3 3.94Å; R196-W199 HydrophobicContact CG-CH2 4.1Å; R196-W199 HydrophobicContact CG-CZ2 4.23Å; R196-W199 HydrophobicContact CG-CZ3 3.92Å; R196-W199 VanDerWaalsContact O-CB 3.28Å; R196-W199 WeakPolarHBondContact O-CB 3.48Å; R196-W199 PolarHBondContact O-N 3.05Å
197	S	96.8	Very high	98.1	Very high	69 Å²	69	38.3 Å²	38.3	48%	0.483	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-32.9	176.7	72.7	0	0	0	0	111.6	D195 W199 E200	D195-S197 PolarHBondContact O-N 2.92Å; D195-S197 WeakPolarHBondContact OD1-CB 3.42Å; D195-S197 PolarHBondContact OD1-N 3.13Å; D195-S197 PolarHBondContact OD1-OG 3.13Å; D195-S197 PolarHBondContact OD2-OG 3.34Å; S197-W199 PolarHBondContact O-N 3.3Å; S197-E200 PolarHBondContact O-N 3.17Å
198	A	97.2	Very high	98.1	Very high	37 Å²	37	38.3 Å²	38.3	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-23.5	174.9	0	0	0	0	0	112.8	D195 R196	D195-A198 WeakPolarHBondContact O-CB 3.49Å; D195-A198 PolarHBondContact O-N 2.89Å; R196-A198 PolarHBondContact O-N 2.93Å
199	W	98.6	Very high	98.1	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-77.4	-31.3	-176.9	-55.9	4.2	0	0	0	112.2	V179 Q185 F188 T189 G193 D195 R196 S197 A201 Y202	V179-W199 HydrophobicContact CB-CE3 4.19Å; V179-W199 HydrophobicContact CG1-CB 3.61Å; V179-W199 HydrophobicContact CG1-CE3 4.19Å; Q185-W199 HydrophobicContact CB-CH2 4.39Å; Q185-W199 HydrophobicContact CB-CZ3 4.3Å; Q185-W199 HydrophobicContact CG-CH2 4.47Å; Q185-W199 HydrophobicContact CG-CZ3 3.96Å; F188-W199 HydrophobicContact CB-CB 4.35Å; F188-W199 HydrophobicContact CB-CD2 3.43Å; F188-W199 VanDerWaalsContact CB-CD2 3.43Å; F188-W199 VanDerWaalsContact CB-CE2 3.46Å; F188-W199 HydrophobicContact CB-CE3 3.99Å; F188-W199 HydrophobicContact CB-CG 3.61Å; F188-W199 HydrophobicContact CB-CH2 4.48Å; F188-W199 HydrophobicContact CB-CZ2 4.02Å; F188-W199 HydrophobicContact CB-CZ3 4.48Å; F188-W199 HydrophobicContact CD2-CB 3.6Å; F188-W199 AromaticContact CD2-CD2 3.85Å; F188-W199 HydrophobicContact CD2-CD2 3.85Å; F188-W199 AromaticContact CD2-CE3 3.93Å; F188-W199 HydrophobicContact CD2-CE3 3.93Å; F188-W199 AromaticContact CD2-CG 3.75Å; F188-W199 HydrophobicContact CD2-CG 3.75Å; F188-W199 HydrophobicContact CE2-CB 4.15Å; F188-W199 HydrophobicContact CG-CB 4.26Å; F188-W199 HydrophobicContact CG-CD2 4.14Å; F188-W199 HydrophobicContact CG-CG 4.04Å; F188-W199 PolarHBondContact O-NE1 3.33Å; T189-W199 WeakPolarHBondContact OG1-CH2 3.34Å; T189-W199 VanDerWaalsContact OG1-CZ2 3.23Å; T189-W199 WeakPolarHBondContact OG1-CZ2 3.47Å; G193-W199 PolarHBondContact O-NE1 3Å; D195-W199 VanDerWaalsContact O-CD1 3.31Å; D195-W199 PolarHBondContact O-NE1 2.92Å; R196-W199 HydrophobicContact CB-CD2 4.34Å; R196-W199 HydrophobicContact CB-CE3 4.37Å; R196-W199 HydrophobicContact CG-CD2 4.13Å; R196-W199 HydrophobicContact CG-CE3 3.94Å; R196-W199 HydrophobicContact CG-CH2 4.1Å; R196-W199 HydrophobicContact CG-CZ2 4.23Å; R196-W199 HydrophobicContact CG-CZ3 3.92Å; R196-W199 VanDerWaalsContact O-CB 3.28Å; R196-W199 WeakPolarHBondContact O-CB 3.48Å; R196-W199 PolarHBondContact O-N 3.05Å; S197-W199 PolarHBondContact O-N 3.3Å; W199-A201 PolarHBondContact O-N 2.79Å; W199-A201 VanDerWaalsContact O-N 3.16Å; W199-Y202 CarbonylContact O-C 3.55Å; W199-Y202 WeakPolarHBondContact O-CA 3.46Å; W199-Y202 PolarHBondContact O-N 2.99Å
200	E	98.2	Very high	97.9	Very high	102 Å²	102	41 Å²	41	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-56.2	-32.7	179.3	-68.3	-177.5	-177.3	0	0	112.2	S197 Y202 D203 V206	S197-E200 PolarHBondContact O-N 3.17Å; E200-Y202 PolarHBondContact O-N 3.1Å; E200-Y202 VanDerWaalsContact O-N 3.12Å; E200-D203 PolarHBondContact O-N 2.86Å; E200-V206 HydrophobicContact CB-CB 4.49Å; E200-V206 HydrophobicContact CB-CG1 3.82Å; E200-V206 HydrophobicContact CG-CG1 4.1Å; E200-V206 HydrophobicContact CG-CG2 4.47Å
201	A	98.1	Very high	97.8	Very high	39 Å²	39	41.7 Å²	41.7	32%	0.322	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.1	175.7	0	0	0	0	0	113.5	K161 W199	K161-A201 VanDerWaalsContact CD-O 3.3Å; K161-A201 WeakPolarHBondContact CD-O 3.4Å; K161-A201 WeakPolarHBondContact CE-O 3.42Å; K161-A201 PolarHBondContact NZ-O 3.26Å; W199-A201 PolarHBondContact O-N 2.79Å; W199-A201 VanDerWaalsContact O-N 3.16Å
202	Y	98.8	Very high	97.6	Very high	30 Å²	30	47.3 Å²	47.3	12%	0.118	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	37	178.9	-61	-82.6	0	0	0	110.6	V107 N108 Y121 H153 I157 F188 L192 W199 E200	V107-Y202 HydrophobicContact CB-CD1 4.02Å; V107-Y202 HydrophobicContact CB-CD2 4.46Å; V107-Y202 HydrophobicContact CB-CE1 4.03Å; V107-Y202 HydrophobicContact CB-CE2 4.44Å; V107-Y202 HydrophobicContact CB-CG 4.24Å; V107-Y202 HydrophobicContact CG1-CD1 3.69Å; V107-Y202 HydrophobicContact CG1-CD2 4.18Å; V107-Y202 HydrophobicContact CG1-CE1 4.23Å; V107-Y202 HydrophobicContact CG1-CG 3.66Å; N108-Y202 WeakPolarHBondContact CB-OH 3.39Å; N108-Y202 PolarHBondContact N-OH 3.25Å; Y121-Y202 HydrophobicContact CD2-CE1 4.14Å; Y121-Y202 HydrophobicContact CG-CE1 4.03Å; H153-Y202 PolarHBondContact CE1-O 3.29Å; I157-Y202 HydrophobicContact CD1-CD1 3.83Å; F188-Y202 WeakPolarHBondContact CZ-O 3.44Å; L192-Y202 HydrophobicContact CD1-CD2 3.67Å; L192-Y202 HydrophobicContact CD1-CE2 4.18Å; L192-Y202 HydrophobicContact CD2-CD2 4.39Å; L192-Y202 HydrophobicContact CD2-CE2 4.07Å; W199-Y202 CarbonylContact O-C 3.55Å; W199-Y202 WeakPolarHBondContact O-CA 3.46Å; W199-Y202 PolarHBondContact O-N 2.99Å; E200-Y202 PolarHBondContact O-N 3.1Å; E200-Y202 VanDerWaalsContact O-N 3.12Å
203	D	98.9	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.3	C	S	.	.			trans	-126	121	174.5	-174.2	-61.1	0	0	0	110.3	N177 P178 V179 E200 T205 V206 L207	N177-D203 VanDerWaalsContact CA-OD2 3.3Å; N177-D203 WeakPolarHBondContact CA-OD2 3.5Å; N177-D203 VanDerWaalsContact ND2-CG 3.32Å; N177-D203 PolarHBondContact ND2-OD1 3.37Å; N177-D203 PolarHBondContact ND2-OD2 2.96Å; P178-D203 WeakPolarHBondContact CD-OD2 3.09Å; P178-D203 HydrophobicContact CG-CB 4.2Å; P178-D203 VanDerWaalsContact N-OD2 3.08Å; V179-D203 HydrophobicContact CG1-CB 3.93Å; V179-D203 WeakPolarHBondContact CG1-OD2 3.3Å; V179-D203 WeakPolarHBondContact CG2-OD2 3.25Å; V179-D203 PolarHBondContact N-OD2 2.78Å; E200-D203 PolarHBondContact O-N 2.86Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.05Å; D203-T205 WeakPolarHBondContact OD1-CA 3.17Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.29Å; D203-T205 PolarHBondContact OD1-N 3.27Å; D203-V206 HydrophobicContact CB-CB 4.06Å; D203-V206 HydrophobicContact CB-CG2 3.9Å; D203-V206 PolarHBondContact O-N 2.93Å; D203-V206 PolarHBondContact OD1-N 3.26Å; D203-V206 VanDerWaalsContact OD1-N 3.1Å; D203-L207 VanDerWaalsContact O-CB 3.29Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 WeakPolarHBondContact O-CD1 3.17Å; D203-L207 WeakPolarHBondContact O-CG 3.3Å; D203-L207 PolarHBondContact O-N 3.42Å
204	A	98.8	Very high	97.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-35.9	-174.9	0	0	0	0	0	112.6	L156 I157 L160 A208 L239	L156-A204 HydrophobicContact CB-CB 3.73Å; L156-A204 HydrophobicContact CD1-CB 4.12Å; I157-A204 HydrophobicContact CG2-CB 4.2Å; L160-A204 HydrophobicContact CD1-CB 4.14Å; L160-A204 WeakPolarHBondContact CD1-O 3.38Å; A204-A208 WeakPolarHBondContact O-CB 3.21Å; A204-A208 PolarHBondContact O-N 3.47Å; A204-L239 HydrophobicContact CB-CD1 4.5Å
205	T	98.8	Very high	96.9	Very high	12 Å²	12	54.1 Å²	54.1	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-44.3	177.7	-58.8	0	0	0	0	110.5	C176 N177 D203 A209 N238 V242	C176-T205 PolarHBondContact O-N 3.21Å; C176-T205 VanDerWaalsContact O-N 3.15Å; C176-T205 PolarHBondContact O-OG1 2.77Å; N177-T205 WeakPolarHBondContact CB-OG1 3.3Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.05Å; D203-T205 WeakPolarHBondContact OD1-CA 3.17Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.29Å; D203-T205 PolarHBondContact OD1-N 3.27Å; T205-A209 PolarHBondContact O-N 2.94Å; T205-N238 HydrophobicContact CG2-CB 4.08Å; T205-V242 HydrophobicContact CG2-CB 4.44Å; T205-V242 HydrophobicContact CG2-CG2 3.72Å
206	V	98.6	Very high	96.6	Very high	45 Å²	45	49.7 Å²	49.7	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-43.2	178.4	-177.4	0	0	0	0	111.5	E200 D203 A208 A209	E200-V206 HydrophobicContact CB-CB 4.49Å; E200-V206 HydrophobicContact CB-CG1 3.82Å; E200-V206 HydrophobicContact CG-CG1 4.1Å; E200-V206 HydrophobicContact CG-CG2 4.47Å; D203-V206 HydrophobicContact CB-CB 4.06Å; D203-V206 HydrophobicContact CB-CG2 3.9Å; D203-V206 PolarHBondContact O-N 2.93Å; D203-V206 PolarHBondContact OD1-N 3.26Å; D203-V206 VanDerWaalsContact OD1-N 3.1Å; V206-A208 PolarHBondContact O-N 3.21Å; V206-A209 WeakPolarHBondContact O-CB 3.38Å; V206-A209 PolarHBondContact O-N 2.93Å
207	L	98.5	Very high	96.3	Very high	24 Å²	24	44.3 Å²	44.3	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-39.8	177.9	-71.4	164.9	0	0	0	112	I157 L160 K161 D203 A209 S210 Y211	I157-L207 HydrophobicContact CB-CD1 3.97Å; I157-L207 HydrophobicContact CG2-CD1 3.82Å; L160-L207 HydrophobicContact CB-CB 3.99Å; L160-L207 HydrophobicContact CD1-CB 4.02Å; K161-L207 HydrophobicContact CD-CD1 3.96Å; K161-L207 HydrophobicContact CG-CD1 3.66Å; K161-L207 HydrophobicContact CG-CD2 3.84Å; K161-L207 HydrophobicContact CG-CG 4.41Å; D203-L207 VanDerWaalsContact O-CB 3.29Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 WeakPolarHBondContact O-CD1 3.17Å; D203-L207 WeakPolarHBondContact O-CG 3.3Å; D203-L207 PolarHBondContact O-N 3.42Å; L207-A209 PolarHBondContact O-N 3.12Å; L207-S210 CarbonylContact O-C 3.56Å; L207-S210 PolarHBondContact O-N 3.38Å; L207-S210 PolarHBondContact O-OG 2.96Å; L207-Y211 PolarHBondContact O-N 2.67Å
208	A	98.2	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-35.6	175.7	0	0	0	0	0	112	L160 A204 V206 S210 Y211 L239 V242 I248	L160-A208 HydrophobicContact CD1-CB 4.31Å; L160-A208 HydrophobicContact CD2-CB 4.49Å; A204-A208 WeakPolarHBondContact O-CB 3.21Å; A204-A208 PolarHBondContact O-N 3.47Å; V206-A208 PolarHBondContact O-N 3.21Å; A208-S210 PolarHBondContact O-N 3.01Å; A208-Y211 PolarHBondContact O-N 2.8Å; A208-L239 HydrophobicContact CB-CD1 3.84Å; A208-V242 HydrophobicContact CB-CG1 3.83Å; A208-I248 HydrophobicContact CB-CD1 4.13Å
209	A	97.7	Very high	96.4	Very high	39 Å²	39	40 Å²	40	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-24.4	179.4	0	0	0	0	0	113.6	T205 V206 L207 V242 K246	T205-A209 PolarHBondContact O-N 2.94Å; V206-A209 WeakPolarHBondContact O-CB 3.38Å; V206-A209 PolarHBondContact O-N 2.93Å; L207-A209 PolarHBondContact O-N 3.12Å; A209-V242 HydrophobicContact CB-CG1 3.74Å; A209-K246 WeakPolarHBondContact O-CD 3.38Å; A209-K246 WeakPolarHBondContact O-CE 3.48Å; A209-K246 PolarHBondContact O-NZ 3.42Å
210	S	95.4	Very high	96.5	Very high	87 Å²	87	39.8 Å²	39.8	61%	0.608	24%	0.24	S	C	*	.	H	α-helix	trans	-111.7	2.7	-179.5	56.3	0	0	0	0	113.5	L207 A208 S212	L207-S210 CarbonylContact O-C 3.56Å; L207-S210 PolarHBondContact O-N 3.38Å; L207-S210 PolarHBondContact O-OG 2.96Å; A208-S210 PolarHBondContact O-N 3.01Å; S210-S212 PolarHBondContact O-N 3.42Å
211	Y	96.6	Very high	96.5	Very high	36 Å²	36	35 Å²	35	14%	0.141	22%	0.217	C	C	.	.			trans	-66.4	125.3	-177.1	-176.5	-99.7	0	0	0	111.6	L160 P163 L207 A208 G213 P214 L216 I248	L160-Y211 HydrophobicContact CB-CD2 4.38Å; L160-Y211 HydrophobicContact CD2-CD2 3.73Å; L160-Y211 HydrophobicContact CD2-CE2 4.29Å; L160-Y211 HydrophobicContact CD2-CG 3.93Å; L160-Y211 WeakPolarHBondContact O-CD2 3.33Å; P163-Y211 HydrophobicContact CB-CE2 4.05Å; L207-Y211 PolarHBondContact O-N 2.67Å; A208-Y211 PolarHBondContact O-N 2.8Å; Y211-G213 VanDerWaalsContact CZ-CA 3.4Å; Y211-G213 WeakPolarHBondContact OH-CA 3.45Å; Y211-P214 VanDerWaalsContact CE1-O 3.25Å; Y211-P214 WeakPolarHBondContact CE1-O 3.24Å; Y211-P214 PolarHBondContact OH-O 3.27Å; Y211-L216 HydrophobicContact CE1-CD1 4.03Å; Y211-L216 HydrophobicContact CE1-CG 4.29Å; Y211-L216 HydrophobicContact CE2-CD1 3.74Å; Y211-L216 VanDerWaalsContact CZ-CD1 3.41Å; Y211-L216 VanDerWaalsContact OH-CD1 3.28Å; Y211-L216 WeakPolarHBondContact OH-CD1 3.4Å; Y211-L216 WeakPolarHBondContact OH-CG 3.2Å; Y211-I248 HydrophobicContact CD1-CD1 4.13Å; Y211-I248 HydrophobicContact CG-CD1 4.42Å
212	S	93.9	Very high	96.5	Very high	119 Å²	119	33.1 Å²	33.1	83%	0.832	20%	0.202	S	C	*	.			trans	-127.3	19.5	179.6	70.9	0	0	0	0	112.7	S210	S210-S212 PolarHBondContact O-N 3.42Å
213	G	94.4	Very high	96.5	Very high	27 Å²	27	31.7 Å²	31.7	28%	0.278	20%	0.196	S	C	.	.	S	Bend	trans	-84	-173.3	-179.9	0	0	0	0	0	113.6	Y211	Y211-G213 VanDerWaalsContact CZ-CA 3.4Å; Y211-G213 WeakPolarHBondContact OH-CA 3.45Å
214	P	93.8	Very high	96.5	Very high	78 Å²	78	39 Å²	39	51%	0.506	22%	0.224	S	C	.	.	S	Bend	trans	-56.6	160.1	172.9	-22	33.5	0	0	0	112.3	Y211 L216	Y211-P214 VanDerWaalsContact CE1-O 3.25Å; Y211-P214 WeakPolarHBondContact CE1-O 3.24Å; Y211-P214 PolarHBondContact OH-O 3.27Å; P214-L216 PolarHBondContact O-N 3.36Å
215	Q	91.1	Very high	96.5	Very high	144 Å²	144	43.9 Å²	43.9	67%	0.673	25%	0.25	S	S	*	.			trans	-55.8	127.4	175.4	-174	178.7	-55.1	0	0	110.8	D217 P249	Q215-D217 PolarHBondContact NE2-OD1 2.99Å; Q215-P249 HydrophobicContact CG-CG 3.76Å
216	L	90.3	Very high	96.5	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	25%	0.247	C	C	.	.			trans	-110.7	117.7	173.3	-73.1	173.5	0	0	0	108.6	A159 L160 Y211 P214 I218	A159-L216 HydrophobicContact CB-CD1 4.37Å; L160-L216 HydrophobicContact CD2-CD1 4.24Å; Y211-L216 HydrophobicContact CE1-CD1 4.03Å; Y211-L216 HydrophobicContact CE1-CG 4.29Å; Y211-L216 HydrophobicContact CE2-CD1 3.74Å; Y211-L216 VanDerWaalsContact CZ-CD1 3.41Å; Y211-L216 VanDerWaalsContact OH-CD1 3.28Å; Y211-L216 WeakPolarHBondContact OH-CD1 3.4Å; Y211-L216 WeakPolarHBondContact OH-CG 3.2Å; P214-L216 PolarHBondContact O-N 3.36Å; L216-I218 HydrophobicContact CB-CG1 4.43Å; L216-I218 PolarHBondContact O-N 3.5Å
217	D	90.1	Very high	96.5	Very high	32 Å²	32	45.7 Å²	45.7	17%	0.171	25%	0.254	C	S	.	.			trans	-88.4	101.3	174.4	-70.6	-10.8	0	0	0	109	Q215 P249 H275 Y279	Q215-D217 PolarHBondContact NE2-OD1 2.99Å; D217-P249 WeakPolarHBondContact OD1-CB 3.26Å; D217-P249 WeakPolarHBondContact OD1-CG 3.21Å; D217-H275 PolarHBondContact O-CE1 3.32Å; D217-H275 PolarHBondContact O-NE2 2.81Å; D217-Y279 HydrophobicContact CB-CE1 4.1Å; D217-Y279 HydrophobicContact CB-CE2 4.39Å; D217-Y279 WeakPolarHBondContact CB-OH 3.48Å; D217-Y279 VanDerWaalsContact OD2-CE1 3.32Å; D217-Y279 WeakPolarHBondContact OD2-CE1 3.44Å; D217-Y279 PolarHBondContact OD2-OH 3.32Å
218	I	97.8	Very high	96.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.2	-175.6	-49.2	-178	0	0	0	109.8	L156 V169 L216 I220 I248 P249 V250 V251	L156-I218 HydrophobicContact CD2-CG2 3.87Å; V169-I218 HydrophobicContact CG1-CB 4.43Å; V169-I218 HydrophobicContact CG1-CG1 3.87Å; V169-I218 HydrophobicContact CG1-CG2 4.36Å; L216-I218 HydrophobicContact CB-CG1 4.43Å; L216-I218 PolarHBondContact O-N 3.5Å; I218-I220 HydrophobicContact CG2-CD1 4.11Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å; I218-I248 HydrophobicContact CD1-CG2 3.77Å; I218-I248 HydrophobicContact CG1-CG2 4.26Å; I218-P249 PolarHBondContact N-O 2.66Å; I218-V250 HydrophobicContact CB-CB 4.38Å; I218-V250 HydrophobicContact CB-CG2 4.19Å; I218-V250 HydrophobicContact CG2-CG2 4.28Å; I218-V250 CarbonylContact O-C 3.58Å; I218-V250 WeakPolarHBondContact O-CA 3.5Å; I218-V251 PolarHBondContact O-N 2.82Å
219	L	98.9	Very high	96.5	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.6	168.7	173.5	63.4	0	0	0	110.3	V169 S170 A171 V251 R253 H275	V169-L219 PolarHBondContact O-N 3.06Å; S170-L219 CarbonylContact C-O 3.26Å; S170-L219 WeakPolarHBondContact CA-O 3.34Å; S170-L219 VanDerWaalsContact CB-O 3.23Å; S170-L219 WeakPolarHBondContact CB-O 3.44Å; A171-L219 PolarHBondContact N-O 3.48Å; L219-V251 HydrophobicContact CD1-CB 4.04Å; L219-V251 HydrophobicContact CD1-CG1 3.93Å; L219-R253 HydrophobicContact CD1-CG 4.46Å; L219-H275 HydrophobicContact CD2-CB 3.83Å
220	I	98.9	Very high	96.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.1	175.5	-60.8	175.4	0	0	0	109.7	A171 P174 I218 L239 V250 V251 F252 R253	A171-I220 WeakPolarHBondContact O-CA 3.47Å; P174-I220 HydrophobicContact CG-CD1 4.24Å; P174-I220 HydrophobicContact CG-CG1 4.48Å; P174-I220 HydrophobicContact CG-CG2 3.84Å; I218-I220 HydrophobicContact CG2-CD1 4.11Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å; I220-L239 HydrophobicContact CD1-CD2 3.87Å; I220-V250 HydrophobicContact CD1-CG2 4.21Å; I220-V251 PolarHBondContact N-O 2.85Å; I220-F252 HydrophobicContact CB-CD2 4.04Å; I220-F252 HydrophobicContact CG2-CD2 3.76Å; I220-F252 HydrophobicContact CG2-CE2 4.06Å; I220-F252 CarbonylContact O-C 3.58Å; I220-F252 WeakPolarHBondContact O-CA 3.48Å; I220-R253 PolarHBondContact O-N 3.31Å
221	D	98.9	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135	164.7	-87.6	-90	0	0	0	109.9	A171 F172 A173 R253 Q255 F264 H272	A171-D221 PolarHBondContact O-N 2.92Å; F172-D221 CarbonylContact C-O 3.58Å; F172-D221 WeakPolarHBondContact CA-O 3.34Å; F172-D221 HydrophobicContact CD1-CB 4.32Å; A173-D221 PolarHBondContact N-O 3.49Å; D221-R253 VanDerWaalsContact CG-NE 3.3Å; D221-R253 VanDerWaalsContact CG-NH2 3.32Å; D221-R253 WeakPolarHBondContact OD1-CB 3.23Å; D221-R253 IonicContact OD1-CZ 3.02Å; D221-R253 IonicContact OD1-NE 3.36Å; D221-R253 PolarHBondContact OD1-NE 3.13Å; D221-R253 IonicContact OD1-NH2 3.48Å; D221-R253 PolarHBondContact OD1-NH2 3.01Å; D221-R253 IonicContact OD2-CZ 3.2Å; D221-R253 IonicContact OD2-NE 2.65Å; D221-R253 PolarHBondContact OD2-NE 3.33Å; D221-R253 IonicContact OD2-NH2 3.1Å; D221-R253 PolarHBondContact OD2-NH2 3.26Å; D221-Q255 WeakPolarHBondContact OD1-CG 3.46Å; D221-Q255 PolarHBondContact OD1-NE2 3.24Å; D221-F264 HydrophobicContact CB-CE2 4.05Å; D221-F264 HydrophobicContact CB-CZ 3.74Å; D221-F264 WeakPolarHBondContact O-CZ 3.33Å; D221-H272 IonicContact OD2-CD2 3.22Å; D221-H272 IonicContact OD2-NE2 3.47Å; D221-H272 PolarHBondContact OD2-NE2 3.08Å
222	Q	98.9	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.8	177.7	174.8	61.6	67.4	0	0	109.3	R224 D226 L229 F252 R253 L254 Q255	Q222-R224 PolarHBondContact O-N 2.82Å; Q222-D226 PolarHBondContact NE2-OD2 3.33Å; Q222-L229 HydrophobicContact CG-CD1 4.49Å; Q222-L229 HydrophobicContact CG-CD2 3.98Å; Q222-F252 HydrophobicContact CB-CE2 3.56Å; Q222-F252 HydrophobicContact CB-CZ 3.8Å; Q222-F252 HydrophobicContact CG-CE2 4.3Å; Q222-F252 HydrophobicContact CG-CZ 4.2Å; Q222-R253 PolarHBondContact N-O 3.45Å; Q222-L254 HydrophobicContact CB-CD1 4.11Å; Q222-L254 HydrophobicContact CG-CD1 3.75Å; Q222-L254 CarbonylContact O-C 3.55Å; Q222-L254 WeakPolarHBondContact O-CA 3.17Å; Q222-Q255 PolarHBondContact O-N 3.34Å
223	G	98.8	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.1	167.1	0	0	0	0	0	110.3	D225 D226 Y258	G223-D225 VanDerWaalsContact C-N 3.27Å; G223-D225 PolarHBondContact O-N 3.37Å; G223-D226 VanDerWaalsContact O-CB 3.25Å; G223-D226 WeakPolarHBondContact O-CB 3.44Å; G223-D226 PolarHBondContact O-N 2.97Å; G223-Y258 CarbonylContact C-O 3.48Å; G223-Y258 VanDerWaalsContact C-O 3.26Å; G223-Y258 WeakPolarHBondContact CA-O 3.32Å
224	R	98.6	Very high	97.1	Very high	155 Å²	155	45.1 Å²	45.1	59%	0.585	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	178.2	-174.6	175.5	174.4	167.6	-0.8	112.2	Q222 D226 L254 Q255 Y258	Q222-R224 PolarHBondContact O-N 2.82Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-L254 HydrophobicContact CB-CD1 4.05Å; R224-L254 HydrophobicContact CB-CG 4Å; R224-L254 HydrophobicContact CG-CD1 4.43Å; R224-L254 HydrophobicContact CG-CD2 4.19Å; R224-L254 HydrophobicContact CG-CG 4.21Å; R224-Q255 WeakPolarHBondContact CB-O 3.24Å; R224-Q255 PolarHBondContact N-O 2.97Å; R224-Y258 PolarHBondContact N-O 3.26Å
225	D	98.6	Very high	97.3	Very high	102 Å²	102	43 Å²	43	55%	0.545	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	21.3	-175.4	-60	-3.3	0	0	0	110.6	G223 Q227 G257 Y258	G223-D225 VanDerWaalsContact C-N 3.27Å; G223-D225 PolarHBondContact O-N 3.37Å; D225-Q227 PolarHBondContact O-N 2.86Å; D225-G257 VanDerWaalsContact OD2-CA 3.29Å; D225-G257 WeakPolarHBondContact OD2-CA 3.41Å; D225-G257 PolarHBondContact OD2-N 2.88Å; D225-Y258 CarbonylContact C-O 3.6Å; D225-Y258 PolarHBondContact N-O 2.99Å
226	D	98.8	Very high	97.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	20%	0.197	C	C	.	.			trans	-68	118.5	173.3	-176.2	-27.3	0	0	0	110.4	A173 Q222 G223 R224 F228 L229 S230 L234 H260	A173-D226 WeakPolarHBondContact CB-OD2 3.25Å; Q222-D226 PolarHBondContact NE2-OD2 3.33Å; G223-D226 VanDerWaalsContact O-CB 3.25Å; G223-D226 WeakPolarHBondContact O-CB 3.44Å; G223-D226 PolarHBondContact O-N 2.97Å; R224-D226 VanDerWaalsContact C-N 3.32Å; D226-F228 PolarHBondContact O-N 3.28Å; D226-F228 VanDerWaalsContact O-N 3.16Å; D226-F228 WeakPolarHBondContact OD1-CA 3.45Å; D226-F228 WeakPolarHBondContact OD1-CB 3.31Å; D226-F228 PolarHBondContact OD1-N 3.1Å; D226-L229 HydrophobicContact CB-CB 4.06Å; D226-L229 VanDerWaalsContact O-CB 3.32Å; D226-L229 WeakPolarHBondContact O-CB 3.31Å; D226-L229 PolarHBondContact O-N 3.38Å; D226-L229 VanDerWaalsContact O-N 3.08Å; D226-L229 PolarHBondContact OD1-N 3.37Å; D226-S230 PolarHBondContact O-N 2.87Å; D226-L234 WeakPolarHBondContact OD2-CD1 3.28Å; D226-H260 IonicContact OD1-CG 2.78Å; D226-H260 IonicContact OD1-ND1 3.6Å; D226-H260 PolarHBondContact OD1-ND1 2.95Å; D226-H260 IonicContact OD2-CE1 2.66Å; D226-H260 IonicContact OD2-CG 2.7Å; D226-H260 IonicContact OD2-ND1 3.57Å; D226-H260 PolarHBondContact OD2-ND1 3.32Å
227	Q	98.6	Very high	98.1	Very high	92 Å²	92	41.2 Å²	41.2	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-28.7	-179.3	69.3	-79.9	12.9	0	0	113.1	D225 S230 A231	D225-Q227 PolarHBondContact O-N 2.86Å; Q227-S230 WeakPolarHBondContact CA-OG 3.35Å; Q227-S230 PolarHBondContact O-OG 3.47Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 3.42Å
228	F	98.6	Very high	98.5	Very high	46 Å²	46	42.2 Å²	42.2	20%	0.202	23%	0.228	C	C	.	.	H	α-helix	trans	-84.3	-20.4	-179.3	-55	-57.7	0	0	0	112.7	W183 D226 S232 Q233 L234 H260	W183-F228 HydrophobicContact CH2-CB 3.91Å; W183-F228 AromaticContact CH2-CD1 3.18Å; W183-F228 HydrophobicContact CH2-CD1 3.18Å; W183-F228 AromaticContact CH2-CD2 3.8Å; W183-F228 HydrophobicContact CH2-CD2 3.8Å; W183-F228 AromaticContact CH2-CE1 3.46Å; W183-F228 HydrophobicContact CH2-CE1 3.46Å; W183-F228 VanDerWaalsContact CH2-CE1 3.46Å; W183-F228 HydrophobicContact CH2-CE2 4.02Å; W183-F228 AromaticContact CH2-CG 3.35Å; W183-F228 HydrophobicContact CH2-CG 3.35Å; W183-F228 AromaticContact CH2-CZ 3.86Å; W183-F228 HydrophobicContact CH2-CZ 3.86Å; W183-F228 AromaticContact CZ2-CD1 3.38Å; W183-F228 HydrophobicContact CZ2-CD1 3.38Å; W183-F228 AromaticContact CZ2-CE1 3.41Å; W183-F228 HydrophobicContact CZ2-CE1 3.41Å; W183-F228 VanDerWaalsContact CZ2-CE1 3.41Å; W183-F228 HydrophobicContact CZ2-CG 4.06Å; W183-F228 HydrophobicContact CZ2-CZ 4.1Å; W183-F228 HydrophobicContact CZ3-CB 4.29Å; W183-F228 HydrophobicContact CZ3-CD1 4.29Å; W183-F228 HydrophobicContact CZ3-CG 4.17Å; D226-F228 PolarHBondContact O-N 3.28Å; D226-F228 VanDerWaalsContact O-N 3.16Å; D226-F228 WeakPolarHBondContact OD1-CA 3.45Å; D226-F228 WeakPolarHBondContact OD1-CB 3.31Å; D226-F228 PolarHBondContact OD1-N 3.1Å; F228-S232 PolarHBondContact O-N 3.22Å; F228-Q233 HydrophobicContact CB-CB 4.15Å; F228-Q233 HydrophobicContact CB-CG 4.33Å; F228-Q233 WeakPolarHBondContact O-CB 3.23Å; F228-Q233 PolarHBondContact O-N 3.38Å; F228-L234 HydrophobicContact CB-CD1 4.38Å; F228-L234 HydrophobicContact CB-CD2 4.32Å; F228-L234 HydrophobicContact CB-CG 4.23Å; F228-H260 HydrophobicContact CD2-CB 3.88Å; F228-H260 AromaticContact CD2-CD2 3.48Å; F228-H260 VanDerWaalsContact CD2-CD2 3.48Å; F228-H260 WeakPolarHBondContact CD2-CD2 3.46Å; F228-H260 AromaticContact CD2-CE1 3.87Å; F228-H260 AromaticContact CD2-CG 3.44Å; F228-H260 VanDerWaalsContact CD2-CG 3.44Å; F228-H260 AromaticContact CD2-ND1 3.69Å; F228-H260 AromaticContact CD2-NE2 3.74Å; F228-H260 HydrophobicContact CE2-CB 4.1Å; F228-H260 AromaticContact CE2-CD2 3.48Å; F228-H260 VanDerWaalsContact CE2-CD2 3.48Å; F228-H260 WeakPolarHBondContact CE2-CD2 3.34Å; F228-H260 AromaticContact CE2-CG 3.79Å
229	L	98.4	Very high	98.5	Very high	44 Å²	44	42.1 Å²	42.1	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-51.2	165.6	-177.7	63.1	0	0	0	109.8	Q222 D226 A231 S232 L234 P236 L254	Q222-L229 HydrophobicContact CG-CD1 4.49Å; Q222-L229 HydrophobicContact CG-CD2 3.98Å; D226-L229 HydrophobicContact CB-CB 4.06Å; D226-L229 VanDerWaalsContact O-CB 3.32Å; D226-L229 WeakPolarHBondContact O-CB 3.31Å; D226-L229 PolarHBondContact O-N 3.38Å; D226-L229 VanDerWaalsContact O-N 3.08Å; D226-L229 PolarHBondContact OD1-N 3.37Å; L229-A231 VanDerWaalsContact C-N 3.27Å; L229-A231 PolarHBondContact O-N 3.27Å; L229-S232 PolarHBondContact O-N 3.36Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 HydrophobicContact CD1-CB 4.43Å; L229-P236 HydrophobicContact CD1-CG 3.8Å; L229-L254 HydrophobicContact CD2-CD1 4.33Å
230	S	96.7	Very high	98.5	Very high	98 Å²	98	43.5 Å²	43.5	69%	0.685	24%	0.235	S	C	*	.	H	α-helix	trans	-65	-28.2	177.1	45.5	0	0	0	0	113.7	D226 Q227 S232	D226-S230 PolarHBondContact O-N 2.87Å; Q227-S230 WeakPolarHBondContact CA-OG 3.35Å; Q227-S230 PolarHBondContact O-OG 3.47Å; S230-S232 PolarHBondContact O-N 3.19Å
231	A	97.8	Very high	98.5	Very high	51 Å²	51	46.5 Å²	46.5	42%	0.421	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	9.4	174.3	0	0	0	0	0	113.6	Q227 L229 Q233	Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 3.42Å; L229-A231 VanDerWaalsContact C-N 3.27Å; L229-A231 PolarHBondContact O-N 3.27Å; A231-Q233 HydrophobicContact CB-CG 4.29Å; A231-Q233 PolarHBondContact O-N 3.15Å
232	S	97.8	Very high	98.4	Very high	65 Å²	65	47.6 Å²	47.6	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	31.9	177.9	-54	0	0	0	0	114.3	C181 F228 L229 S230	C181-S232 VanDerWaalsContact CB-O 3.31Å; C181-S232 WeakPolarHBondContact CB-O 3.38Å; F228-S232 PolarHBondContact O-N 3.22Å; L229-S232 PolarHBondContact O-N 3.36Å; S230-S232 PolarHBondContact O-N 3.19Å
233	Q	98.6	Very high	98.4	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.079	27%	0.266	C	S	.	.	S	Bend	trans	-83	-33.8	175	-61.3	-65.8	-3.4	0	0	112.3	I175 C181 W183 F228 A231	I175-Q233 WeakPolarHBondContact CG2-O 3.49Å; C181-Q233 WeakPolarHBondContact CB-O 3.11Å; C181-Q233 PolarHBondContact SG-O 2.91Å; W183-Q233 HydrophobicContact CD2-CB 4.12Å; W183-Q233 HydrophobicContact CD2-CG 3.73Å; W183-Q233 HydrophobicContact CE3-CB 3.59Å; W183-Q233 HydrophobicContact CE3-CG 3.71Å; W183-Q233 HydrophobicContact CG-CG 4.4Å; W183-Q233 HydrophobicContact CH2-CB 4.25Å; W183-Q233 HydrophobicContact CH2-CG 4Å; W183-Q233 HydrophobicContact CZ2-CG 3.93Å; W183-Q233 HydrophobicContact CZ3-CB 3.69Å; W183-Q233 HydrophobicContact CZ3-CG 3.88Å; F228-Q233 HydrophobicContact CB-CB 4.15Å; F228-Q233 HydrophobicContact CB-CG 4.33Å; F228-Q233 WeakPolarHBondContact O-CB 3.23Å; F228-Q233 PolarHBondContact O-N 3.38Å; A231-Q233 HydrophobicContact CB-CG 4.29Å; A231-Q233 PolarHBondContact O-N 3.15Å
234	L	98.8	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-91.9	-42.8	-165.9	-53.4	-175	0	0	0	113	A173 P174 I175 C176 D226 F228 L229 P236	A173-L234 HydrophobicContact CB-CD1 3.97Å; A173-L234 WeakPolarHBondContact O-CD2 3.47Å; P174-L234 WeakPolarHBondContact O-CB 3.31Å; I175-L234 HydrophobicContact CG1-CD2 3.95Å; C176-L234 VanDerWaalsContact CB-O 3.32Å; C176-L234 WeakPolarHBondContact CB-O 3.47Å; C176-L234 PolarHBondContact N-O 2.86Å; D226-L234 WeakPolarHBondContact OD2-CD1 3.28Å; F228-L234 HydrophobicContact CB-CD1 4.38Å; F228-L234 HydrophobicContact CB-CD2 4.32Å; F228-L234 HydrophobicContact CB-CG 4.23Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 HydrophobicContact CD1-CB 4.43Å; L234-P236 VanDerWaalsContact C-CD 3.46Å
235	L	98.7	Very high	98.2	Very high	34 Å²	34	51.1 Å²	51.1	18%	0.178	30%	0.299	C	S	.	.			trans	49.6	46.6	176.4	-54.3	176.6	0	0	0	114.8	C176 N177 Q180 C181 D237 N238	C176-L235 WeakPolarHBondContact CB-O 3.43Å; N177-L235 HydrophobicContact CB-CB 4.04Å; N177-L235 HydrophobicContact CB-CD1 4.06Å; Q180-L235 HydrophobicContact CB-CD1 3.79Å; C181-L235 HydrophobicContact CB-CD1 3.93Å; L235-D237 VanDerWaalsContact C-N 3.29Å; L235-D237 PolarHBondContact O-N 3.16Å; L235-N238 PolarHBondContact O-N 2.66Å
236	P	98.6	Very high	98.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-32.7	-176.2	27.1	-35.3	0	0	0	113.5	L229 L234 N238 L239 I240 F252	L229-P236 HydrophobicContact CD1-CG 3.8Å; L234-P236 VanDerWaalsContact C-CD 3.46Å; P236-N238 PolarHBondContact O-N 2.56Å; P236-L239 PolarHBondContact O-N 2.85Å; P236-L239 VanDerWaalsContact O-N 3.15Å; P236-I240 HydrophobicContact CB-CD1 4.48Å; P236-I240 WeakPolarHBondContact O-CG1 3.42Å; P236-I240 PolarHBondContact O-N 3.45Å; P236-F252 HydrophobicContact CB-CE2 3.86Å; P236-F252 HydrophobicContact CB-CZ 4.25Å; P236-F252 HydrophobicContact CG-CE2 4.29Å; P236-F252 HydrophobicContact CG-CZ 4.26Å
237	D	98.6	Very high	97.9	Very high	109 Å²	109	59.2 Å²	59.2	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-59.2	-34.6	-178.8	-62.6	-43.4	0	0	0	112.6	L235 I240 A241	L235-D237 VanDerWaalsContact C-N 3.29Å; L235-D237 PolarHBondContact O-N 3.16Å; D237-I240 PolarHBondContact O-N 2.8Å; D237-A241 WeakPolarHBondContact O-CB 3.28Å; D237-A241 PolarHBondContact O-N 2.7Å
238	N	98.8	Very high	97.8	Very high	54 Å²	54	55.6 Å²	55.6	29%	0.289	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-45.5	177.8	-68.5	3.4	0	0	0	111.3	N177 T205 L235 P236 V242	N177-N238 HydrophobicContact CB-CB 4.27Å; N177-N238 PolarHBondContact OD1-ND2 2.87Å; T205-N238 HydrophobicContact CG2-CB 4.08Å; L235-N238 PolarHBondContact O-N 2.66Å; P236-N238 PolarHBondContact O-N 2.56Å; N238-V242 PolarHBondContact O-N 3.4Å
239	L	98.6	Very high	97.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-43.1	177.1	176.6	65.6	0	0	0	111.2	L156 C176 A204 A208 I220 P236 A241 V242 C243	L156-L239 HydrophobicContact CD1-CD2 3.83Å; L156-L239 HydrophobicContact CD2-CD2 4.46Å; C176-L239 HydrophobicContact CB-CB 3.79Å; C176-L239 HydrophobicContact CB-CD2 4.2Å; C176-L239 VanDerWaalsContact SG-CD2 3.53Å; A204-L239 HydrophobicContact CB-CD1 4.5Å; A208-L239 HydrophobicContact CB-CD1 3.84Å; I220-L239 HydrophobicContact CD1-CD2 3.87Å; P236-L239 PolarHBondContact O-N 2.85Å; P236-L239 VanDerWaalsContact O-N 3.15Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.78Å; L239-V242 PolarHBondContact O-N 3.4Å; L239-C243 WeakPolarHBondContact O-CB 3.34Å; L239-C243 PolarHBondContact O-N 2.84Å; L239-C243 PolarHBondContact O-SG 3.31Å; L239-C243 VanDerWaalsContact O-SG 3.39Å
240	I	98.3	Very high	97.7	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.205	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-43.4	179.5	-65.2	163	0	0	0	110.6	P236 D237 V242 C243 S244 F252	P236-I240 HydrophobicContact CB-CD1 4.48Å; P236-I240 WeakPolarHBondContact O-CG1 3.42Å; P236-I240 PolarHBondContact O-N 3.45Å; D237-I240 PolarHBondContact O-N 2.8Å; I240-V242 PolarHBondContact O-N 2.95Å; I240-C243 PolarHBondContact O-N 2.91Å; I240-S244 WeakPolarHBondContact O-CB 3.28Å; I240-S244 PolarHBondContact O-N 3.35Å; I240-F252 HydrophobicContact CD1-CB 3.8Å; I240-F252 HydrophobicContact CD1-CD1 3.56Å; I240-F252 HydrophobicContact CD1-CD2 3.69Å; I240-F252 HydrophobicContact CD1-CE1 3.97Å; I240-F252 HydrophobicContact CD1-CE2 4.09Å; I240-F252 HydrophobicContact CD1-CG 3.4Å; I240-F252 HydrophobicContact CD1-CZ 4.21Å; I240-F252 HydrophobicContact CG1-CB 4.29Å; I240-F252 HydrophobicContact CG1-CG 4.33Å
241	A	98.6	Very high	97.8	Very high	63 Å²	63	55 Å²	55	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-47.7	176.9	0	0	0	0	0	111.6	D237 L239 S244 E245	D237-A241 WeakPolarHBondContact O-CB 3.28Å; D237-A241 PolarHBondContact O-N 2.7Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.78Å; A241-S244 WeakPolarHBondContact O-CB 3.46Å; A241-S244 PolarHBondContact O-N 3.45Å; A241-E245 PolarHBondContact O-N 3.12Å; A241-E245 VanDerWaalsContact O-N 3.09Å
242	V	98.1	Very high	97.8	Very high	23 Å²	23	55.4 Å²	55.4	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-44.2	177.9	173	0	0	0	0	111.8	T205 A208 A209 N238 L239 I240 S244 E245 K246	T205-V242 HydrophobicContact CG2-CB 4.44Å; T205-V242 HydrophobicContact CG2-CG2 3.72Å; A208-V242 HydrophobicContact CB-CG1 3.83Å; A209-V242 HydrophobicContact CB-CG1 3.74Å; N238-V242 PolarHBondContact O-N 3.4Å; L239-V242 PolarHBondContact O-N 3.4Å; I240-V242 PolarHBondContact O-N 2.95Å; V242-S244 VanDerWaalsContact C-N 3.27Å; V242-S244 PolarHBondContact O-N 2.85Å; V242-E245 PolarHBondContact O-N 2.72Å; V242-K246 HydrophobicContact CG1-CG 4.15Å; V242-K246 WeakPolarHBondContact O-CB 3.24Å; V242-K246 WeakPolarHBondContact O-CG 3.27Å; V242-K246 PolarHBondContact O-N 3.28Å
243	C	97.5	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-38.8	176.7	-75.4	0	0	0	0	111.6	L239 I240 K246 K247 I248 V250	L239-C243 WeakPolarHBondContact O-CB 3.34Å; L239-C243 PolarHBondContact O-N 2.84Å; L239-C243 PolarHBondContact O-SG 3.31Å; L239-C243 VanDerWaalsContact O-SG 3.39Å; I240-C243 PolarHBondContact O-N 2.91Å; C243-K246 PolarHBondContact O-N 2.81Å; C243-K247 CarbonylContact O-C 3.54Å; C243-K247 WeakPolarHBondContact O-CA 3.37Å; C243-K247 PolarHBondContact O-N 3.05Å; C243-I248 HydrophobicContact CB-CB 4.16Å; C243-I248 PolarHBondContact O-N 3.5Å; C243-V250 HydrophobicContact CB-CB 4.31Å; C243-V250 HydrophobicContact CB-CG1 3.83Å
244	S	96.7	Very high	97.9	Very high	91 Å²	91	58.2 Å²	58.2	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-63.1	-47.3	175.4	-170.1	0	0	0	0	111.9	I240 A241 V242 K246 K247	I240-S244 WeakPolarHBondContact O-CB 3.28Å; I240-S244 PolarHBondContact O-N 3.35Å; A241-S244 WeakPolarHBondContact O-CB 3.46Å; A241-S244 PolarHBondContact O-N 3.45Å; V242-S244 VanDerWaalsContact C-N 3.27Å; V242-S244 PolarHBondContact O-N 2.85Å; S244-K246 PolarHBondContact O-N 3.38Å; S244-K247 PolarHBondContact O-N 3.16Å
245	E	97.1	Very high	97.8	Very high	138 Å²	138	59.7 Å²	59.7	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-44.7	176.9	-172.2	-164.6	136	0	0	111.8	A241 V242 K247	A241-E245 PolarHBondContact O-N 3.12Å; A241-E245 VanDerWaalsContact O-N 3.09Å; V242-E245 PolarHBondContact O-N 2.72Å; E245-K247 VanDerWaalsContact C-N 3.27Å; E245-K247 PolarHBondContact O-N 3.17Å
246	K	96.3	Very high	97.8	Very high	89 Å²	89	62.1 Å²	62.1	39%	0.387	33%	0.334	S	S	.	.	H	α-helix	trans	-83.6	-1.5	-177.4	-60.4	-70.8	160.2	165.9	0	113.7	A209 V242 C243 S244 I248	A209-K246 WeakPolarHBondContact O-CD 3.38Å; A209-K246 WeakPolarHBondContact O-CE 3.48Å; A209-K246 PolarHBondContact O-NZ 3.42Å; V242-K246 HydrophobicContact CG1-CG 4.15Å; V242-K246 WeakPolarHBondContact O-CB 3.24Å; V242-K246 WeakPolarHBondContact O-CG 3.27Å; V242-K246 PolarHBondContact O-N 3.28Å; C243-K246 PolarHBondContact O-N 2.81Å; S244-K246 PolarHBondContact O-N 3.38Å; K246-I248 HydrophobicContact CB-CD1 4.09Å; K246-I248 HydrophobicContact CB-CG1 4.03Å; K246-I248 PolarHBondContact O-N 3.45Å
247	K	95.5	Very high	97.8	Very high	186 Å²	186	64.8 Å²	64.8	81%	0.809	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.5	-176.8	-54.1	177.3	-178.7	176.6	0	112.7	C243 S244 E245 P249	C243-K247 CarbonylContact O-C 3.54Å; C243-K247 WeakPolarHBondContact O-CA 3.37Å; C243-K247 PolarHBondContact O-N 3.05Å; S244-K247 PolarHBondContact O-N 3.16Å; E245-K247 VanDerWaalsContact C-N 3.27Å; E245-K247 PolarHBondContact O-N 3.17Å; K247-P249 WeakPolarHBondContact O-CD 3.24Å
248	I	96.1	Very high	97.8	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.082	35%	0.349	C	S	.	.			trans	-82.1	118.8	170	-60.3	172.7	0	0	0	106.9	A208 Y211 I218 C243 K246 V250	A208-I248 HydrophobicContact CB-CD1 4.13Å; Y211-I248 HydrophobicContact CD1-CD1 4.13Å; Y211-I248 HydrophobicContact CG-CD1 4.42Å; I218-I248 HydrophobicContact CD1-CG2 3.77Å; I218-I248 HydrophobicContact CG1-CG2 4.26Å; C243-I248 HydrophobicContact CB-CB 4.16Å; C243-I248 PolarHBondContact O-N 3.5Å; K246-I248 HydrophobicContact CB-CD1 4.09Å; K246-I248 HydrophobicContact CB-CG1 4.03Å; K246-I248 PolarHBondContact O-N 3.45Å; I248-V250 PolarHBondContact O-N 3.01Å; I248-V250 VanDerWaalsContact O-N 3.17Å
249	P	96.1	Very high	97.8	Very high	49 Å²	49	63.8 Å²	63.8	32%	0.318	35%	0.351	S	S	.	.			trans	-61.7	120.2	-179.6	-23.5	35	0	0	0	111.5	Q215 D217 I218 K247	Q215-P249 HydrophobicContact CG-CG 3.76Å; D217-P249 WeakPolarHBondContact OD1-CB 3.26Å; D217-P249 WeakPolarHBondContact OD1-CG 3.21Å; I218-P249 PolarHBondContact N-O 2.66Å; K247-P249 WeakPolarHBondContact O-CD 3.24Å
250	V	97.8	Very high	97.8	Very high	40 Å²	40	64.8 Å²	64.8	24%	0.242	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.6	173.9	64.1	0	0	0	0	109.8	I218 I220 C243 I248	I218-V250 HydrophobicContact CB-CB 4.38Å; I218-V250 HydrophobicContact CB-CG2 4.19Å; I218-V250 HydrophobicContact CG2-CG2 4.28Å; I218-V250 CarbonylContact O-C 3.58Å; I218-V250 WeakPolarHBondContact O-CA 3.5Å; I220-V250 HydrophobicContact CD1-CG2 4.21Å; C243-V250 HydrophobicContact CB-CB 4.31Å; C243-V250 HydrophobicContact CB-CG1 3.83Å; I248-V250 PolarHBondContact O-N 3.01Å; I248-V250 VanDerWaalsContact O-N 3.17Å
251	V	98.6	Very high	97.9	Very high	87 Å²	87	64.3 Å²	64.3	53%	0.527	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.2	167.1	-179.6	0	0	0	0	106.8	I218 L219 I220 R253	I218-V251 PolarHBondContact O-N 2.82Å; L219-V251 HydrophobicContact CD1-CB 4.04Å; L219-V251 HydrophobicContact CD1-CG1 3.93Å; I220-V251 PolarHBondContact N-O 2.85Å; V251-R253 HydrophobicContact CG1-CG 4.15Å
252	F	98.7	Very high	97.9	Very high	59 Å²	59	62.5 Å²	62.5	26%	0.259	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.5	175	176.6	-107.9	0	0	0	110.2	I220 Q222 P236 I240 L254	I220-F252 HydrophobicContact CB-CD2 4.04Å; I220-F252 HydrophobicContact CG2-CD2 3.76Å; I220-F252 HydrophobicContact CG2-CE2 4.06Å; I220-F252 CarbonylContact O-C 3.58Å; I220-F252 WeakPolarHBondContact O-CA 3.48Å; Q222-F252 HydrophobicContact CB-CE2 3.56Å; Q222-F252 HydrophobicContact CB-CZ 3.8Å; Q222-F252 HydrophobicContact CG-CE2 4.3Å; Q222-F252 HydrophobicContact CG-CZ 4.2Å; P236-F252 HydrophobicContact CB-CE2 3.86Å; P236-F252 HydrophobicContact CB-CZ 4.25Å; P236-F252 HydrophobicContact CG-CE2 4.29Å; P236-F252 HydrophobicContact CG-CZ 4.26Å; I240-F252 HydrophobicContact CD1-CB 3.8Å; I240-F252 HydrophobicContact CD1-CD1 3.56Å; I240-F252 HydrophobicContact CD1-CD2 3.69Å; I240-F252 HydrophobicContact CD1-CE1 3.97Å; I240-F252 HydrophobicContact CD1-CE2 4.09Å; I240-F252 HydrophobicContact CD1-CG 3.4Å; I240-F252 HydrophobicContact CD1-CZ 4.21Å; I240-F252 HydrophobicContact CG1-CB 4.29Å; I240-F252 HydrophobicContact CG1-CG 4.33Å; F252-L254 HydrophobicContact CE1-CB 3.91Å; F252-L254 HydrophobicContact CE1-CD1 4.5Å; F252-L254 HydrophobicContact CZ-CB 4.28Å; F252-L254 HydrophobicContact CZ-CD1 4.16Å
253	R	98.8	Very high	97.9	Very high	62 Å²	62	69.3 Å²	69.3	23%	0.234	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.9	179.1	-53.4	-165.9	-64.2	177.3	-0.1	109.4	L219 I220 D221 Q222 V251 D271	L219-R253 HydrophobicContact CD1-CG 4.46Å; I220-R253 PolarHBondContact O-N 3.31Å; D221-R253 VanDerWaalsContact CG-NE 3.3Å; D221-R253 VanDerWaalsContact CG-NH2 3.32Å; D221-R253 WeakPolarHBondContact OD1-CB 3.23Å; D221-R253 IonicContact OD1-CZ 3.02Å; D221-R253 IonicContact OD1-NE 3.36Å; D221-R253 PolarHBondContact OD1-NE 3.13Å; D221-R253 IonicContact OD1-NH2 3.48Å; D221-R253 PolarHBondContact OD1-NH2 3.01Å; D221-R253 IonicContact OD2-CZ 3.2Å; D221-R253 IonicContact OD2-NE 2.65Å; D221-R253 PolarHBondContact OD2-NE 3.33Å; D221-R253 IonicContact OD2-NH2 3.1Å; D221-R253 PolarHBondContact OD2-NH2 3.26Å; Q222-R253 PolarHBondContact N-O 3.45Å; V251-R253 HydrophobicContact CG1-CG 4.15Å; R253-D271 IonicContact CZ-OD2 3.76Å; R253-D271 IonicContact NH1-OD2 2.77Å; R253-D271 PolarHBondContact NH1-OD2 3.01Å; R253-D271 IonicContact NH2-OD2 2.8Å; R253-D271 PolarHBondContact NH2-OD2 3.14Å
254	L	98.8	Very high	98	Very high	78 Å²	78	69.3 Å²	69.3	41%	0.408	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109.2	174.4	-172.8	65.9	0	0	0	109.4	Q222 R224 L229 F252 P256	Q222-L254 HydrophobicContact CB-CD1 4.11Å; Q222-L254 HydrophobicContact CG-CD1 3.75Å; Q222-L254 CarbonylContact O-C 3.55Å; Q222-L254 WeakPolarHBondContact O-CA 3.17Å; R224-L254 HydrophobicContact CB-CD1 4.05Å; R224-L254 HydrophobicContact CB-CG 4Å; R224-L254 HydrophobicContact CG-CD1 4.43Å; R224-L254 HydrophobicContact CG-CD2 4.19Å; R224-L254 HydrophobicContact CG-CG 4.21Å; L229-L254 HydrophobicContact CD2-CD1 4.33Å; F252-L254 HydrophobicContact CE1-CB 3.91Å; F252-L254 HydrophobicContact CE1-CD1 4.5Å; F252-L254 HydrophobicContact CZ-CB 4.28Å; F252-L254 HydrophobicContact CZ-CD1 4.16Å; L254-P256 WeakPolarHBondContact O-CD 3.4Å
255	Q	98.8	Very high	98.1	Very high	32 Å²	32	65 Å²	65	15%	0.15	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.4	-168.4	-59.3	-66.8	2.5	0	0	111.1	D221 Q222 R224 Y258 F264 F268	D221-Q255 WeakPolarHBondContact OD1-CG 3.46Å; D221-Q255 PolarHBondContact OD1-NE2 3.24Å; Q222-Q255 PolarHBondContact O-N 3.34Å; R224-Q255 WeakPolarHBondContact CB-O 3.24Å; R224-Q255 PolarHBondContact N-O 2.97Å; Q255-Y258 HydrophobicContact CB-CD2 3.57Å; Q255-Y258 HydrophobicContact CB-CE2 4.34Å; Q255-Y258 HydrophobicContact CB-CG 4.05Å; Q255-Y258 PolarHBondContact O-N 3.21Å; Q255-F264 HydrophobicContact CB-CE2 4.42Å; Q255-F264 HydrophobicContact CG-CE2 4.19Å; Q255-F268 HydrophobicContact CB-CE2 4.05Å; Q255-F268 HydrophobicContact CB-CZ 4.06Å; Q255-F268 HydrophobicContact CG-CD2 4.34Å; Q255-F268 HydrophobicContact CG-CE1 4.24Å; Q255-F268 HydrophobicContact CG-CE2 3.67Å; Q255-F268 HydrophobicContact CG-CZ 3.61Å; Q255-F268 VanDerWaalsContact NE2-CE1 3.34Å
256	P	98.6	Very high	98.2	Very high	85 Å²	85	65.2 Å²	65.2	55%	0.552	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	136.8	-177.6	-19.5	33.5	0	0	0	112.3	L254 Y258	L254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-Y258 WeakPolarHBondContact O-CD2 3.27Å; P256-Y258 PolarHBondContact O-N 3.06Å
257	G	98.4	Very high	98.3	Very high	59 Å²	59	63.6 Å²	63.6	61%	0.608	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-2.7	178.7	0	0	0	0	0	115.3	D225	D225-G257 VanDerWaalsContact OD2-CA 3.29Å; D225-G257 WeakPolarHBondContact OD2-CA 3.41Å; D225-G257 PolarHBondContact OD2-N 2.88Å
258	Y	98.8	Very high	98.4	Very high	77 Å²	77	55.8 Å²	55.8	30%	0.302	30%	0.296	S	S	.	.			trans	-95.5	141.2	178.1	-71.8	-86.4	0	0	0	111.6	G223 R224 D225 Q255 P256 F264 S267 F268	G223-Y258 CarbonylContact C-O 3.48Å; G223-Y258 VanDerWaalsContact C-O 3.26Å; G223-Y258 WeakPolarHBondContact CA-O 3.32Å; R224-Y258 PolarHBondContact N-O 3.26Å; D225-Y258 CarbonylContact C-O 3.6Å; D225-Y258 PolarHBondContact N-O 2.99Å; Q255-Y258 HydrophobicContact CB-CD2 3.57Å; Q255-Y258 HydrophobicContact CB-CE2 4.34Å; Q255-Y258 HydrophobicContact CB-CG 4.05Å; Q255-Y258 PolarHBondContact O-N 3.21Å; P256-Y258 WeakPolarHBondContact O-CD2 3.27Å; P256-Y258 PolarHBondContact O-N 3.06Å; Y258-F264 HydrophobicContact CD1-CB 4.08Å; Y258-F264 AromaticContact CD1-CD2 3.95Å; Y258-F264 HydrophobicContact CD1-CD2 3.95Å; Y258-F264 HydrophobicContact CG-CD2 4.01Å; Y258-S267 WeakPolarHBondContact CE1-OG 3.49Å; Y258-F268 AromaticContact CD1-CE2 3.89Å; Y258-F268 HydrophobicContact CD1-CE2 3.89Å; Y258-F268 HydrophobicContact CD2-CE2 4.02Å; Y258-F268 HydrophobicContact CD2-CZ 4.1Å; Y258-F268 AromaticContact CE1-CE2 3.74Å; Y258-F268 HydrophobicContact CE1-CE2 3.74Å; Y258-F268 HydrophobicContact CE1-CZ 4.17Å; Y258-F268 AromaticContact CE2-CE2 3.87Å; Y258-F268 HydrophobicContact CE2-CE2 3.87Å; Y258-F268 AromaticContact CE2-CZ 3.62Å; Y258-F268 HydrophobicContact CE2-CZ 3.62Å; Y258-F268 HydrophobicContact CG-CE2 4Å; Y258-F268 AromaticContact CZ-CE2 3.71Å; Y258-F268 AromaticContact CZ-CZ 3.64Å
259	D	98.6	Very high	98.6	Very high	65 Å²	65	55.2 Å²	55.2	35%	0.348	29%	0.293	S	S	.	.			trans	-104.1	-162.6	-178.3	68.6	5.5	0	0	0	112.2	S261 F264	D259-S261 VanDerWaalsContact C-N 3.35Å; D259-S261 WeakPolarHBondContact OD1-CB 3.49Å; D259-S261 PolarHBondContact OD1-N 2.93Å; D259-S261 PolarHBondContact OD1-OG 3.37Å; D259-S261 PolarHBondContact OD2-OG 2.6Å; D259-F264 VanDerWaalsContact O-CB 3.25Å; D259-F264 WeakPolarHBondContact O-CB 3.28Å; D259-F264 VanDerWaalsContact O-CD1 3.24Å; D259-F264 WeakPolarHBondContact O-CD1 3.39Å; D259-F264 VanDerWaalsContact O-CG 3.29Å; D259-F264 WeakPolarHBondContact O-CG 3.05Å
260	H	98.8	Very high	98.7	Very high	21 Å²	21	56.3 Å²	56.3	10%	0.097	30%	0.296	C	S	.	.	S	Bend	trans	-86.6	3.3	178.2	-156.4	74.1	0	0	0	114.7	H148 S149 D226 F228	H148-H260 AromaticContact CE1-CD2 3.44Å; H148-H260 PolarHBondContact CE1-CD2 2.84Å; H148-H260 VanDerWaalsContact CE1-CD2 3.44Å; H148-H260 AromaticContact CE1-CE1 3.93Å; H148-H260 AromaticContact CE1-NE2 3.32Å; H148-H260 PolarHBondContact CE1-NE2 3.11Å; H148-H260 VanDerWaalsContact CE1-NE2 3.32Å; H148-H260 PolarHBondContact CE1-O 3Å; H148-H260 AromaticContact NE2-CD2 3.56Å; H148-H260 AromaticContact NE2-CE1 3.56Å; H148-H260 AromaticContact NE2-CG 3.81Å; H148-H260 AromaticContact NE2-ND1 3.8Å; H148-H260 AromaticContact NE2-NE2 3.43Å; H148-H260 PolarHBondContact NE2-NE2 3.22Å; H148-H260 PolarHBondContact NE2-O 3.42Å; S149-H260 VanDerWaalsContact CB-CE1 3.46Å; S149-H260 WeakPolarHBondContact CB-CE1 3.5Å; S149-H260 WeakPolarHBondContact CB-NE2 3.38Å; S149-H260 PolarHBondContact OG-CE1 2.72Å; S149-H260 VanDerWaalsContact OG-CE1 3.31Å; S149-H260 PolarHBondContact OG-NE2 2.84Å; D226-H260 IonicContact OD1-CG 2.78Å; D226-H260 IonicContact OD1-ND1 3.6Å; D226-H260 PolarHBondContact OD1-ND1 2.95Å; D226-H260 IonicContact OD2-CE1 2.66Å; D226-H260 IonicContact OD2-CG 2.7Å; D226-H260 IonicContact OD2-ND1 3.57Å; D226-H260 PolarHBondContact OD2-ND1 3.32Å; F228-H260 HydrophobicContact CD2-CB 3.88Å; F228-H260 AromaticContact CD2-CD2 3.48Å; F228-H260 VanDerWaalsContact CD2-CD2 3.48Å; F228-H260 WeakPolarHBondContact CD2-CD2 3.46Å; F228-H260 AromaticContact CD2-CE1 3.87Å; F228-H260 AromaticContact CD2-CG 3.44Å; F228-H260 VanDerWaalsContact CD2-CG 3.44Å; F228-H260 AromaticContact CD2-ND1 3.69Å; F228-H260 AromaticContact CD2-NE2 3.74Å; F228-H260 HydrophobicContact CE2-CB 4.1Å; F228-H260 AromaticContact CE2-CD2 3.48Å; F228-H260 VanDerWaalsContact CE2-CD2 3.48Å; F228-H260 WeakPolarHBondContact CE2-CD2 3.34Å; F228-H260 AromaticContact CE2-CG 3.79Å
261	S	98.8	Very high	98.7	Very high	31 Å²	31	57.5 Å²	57.5	22%	0.217	30%	0.301	C	S	.	.	S	Bend	trans	-84.5	173.6	-165.6	77.1	0	0	0	0	113	D259 F263 F264 I265	D259-S261 VanDerWaalsContact C-N 3.35Å; D259-S261 WeakPolarHBondContact OD1-CB 3.49Å; D259-S261 PolarHBondContact OD1-N 2.93Å; D259-S261 PolarHBondContact OD1-OG 3.37Å; D259-S261 PolarHBondContact OD2-OG 2.6Å; S261-F263 PolarHBondContact O-N 2.82Å; S261-F263 WeakPolarHBondContact OG-CB 3.24Å; S261-F263 PolarHBondContact OG-N 2.84Å; S261-F263 VanDerWaalsContact OG-N 3.1Å; S261-F264 WeakPolarHBondContact O-CB 3.42Å; S261-F264 PolarHBondContact O-N 3.48Å; S261-I265 PolarHBondContact O-N 2.73Å
262	Y	98.8	Very high	98.8	Very high	24 Å²	24	53.4 Å²	53.4	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-15.1	169.3	-89.3	-87.8	0	0	0	113.5	N60 F61 K64 A65 I265 Y266	N60-Y262 HydrophobicContact CB-CE2 3.87Å; F61-Y262 HydrophobicContact CB-CE1 4.27Å; F61-Y262 HydrophobicContact CD2-CE1 4.32Å; F61-Y262 PolarHBondContact N-OH 2.85Å; K64-Y262 HydrophobicContact CB-CD1 3.72Å; K64-Y262 HydrophobicContact CB-CD2 4.48Å; K64-Y262 HydrophobicContact CB-CE1 4.48Å; K64-Y262 HydrophobicContact CB-CG 3.71Å; K64-Y262 HydrophobicContact CD-CD2 4.3Å; K64-Y262 HydrophobicContact CD-CG 4.26Å; K64-Y262 VanDerWaalsContact CE-CD2 3.48Å; A65-Y262 HydrophobicContact CB-CD1 4.18Å; A65-Y262 HydrophobicContact CB-CE1 4.17Å; Y262-I265 HydrophobicContact CD1-CB 4.25Å; Y262-I265 HydrophobicContact CD1-CD1 3.79Å; Y262-I265 HydrophobicContact CD1-CG2 4.43Å; Y262-I265 HydrophobicContact CD2-CD1 4.28Å; Y262-I265 HydrophobicContact CE1-CD1 3.82Å; Y262-I265 HydrophobicContact CE2-CD1 4.33Å; Y262-I265 HydrophobicContact CG-CD1 4.04Å; Y262-I265 PolarHBondContact O-N 3.47Å; Y262-Y266 WeakPolarHBondContact O-CB 3.42Å; Y262-Y266 PolarHBondContact O-N 2.79Å
263	F	98.8	Very high	98.8	Very high	166 Å²	166	50.6 Å²	50.6	73%	0.728	26%	0.264	S	S	*	.	H	α-helix	trans	-67.4	-39.6	171.1	-68.2	-72.9	0	0	0	111.2	S261 S267	S261-F263 PolarHBondContact O-N 2.82Å; S261-F263 WeakPolarHBondContact OG-CB 3.24Å; S261-F263 PolarHBondContact OG-N 2.84Å; S261-F263 VanDerWaalsContact OG-N 3.1Å; F263-S267 WeakPolarHBondContact O-CB 3.42Å; F263-S267 PolarHBondContact O-N 3.29Å; F263-S267 VanDerWaalsContact O-N 3.16Å; F263-S267 PolarHBondContact O-OG 3.26Å
264	F	98.9	Very high	98.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-51.1	170.4	160	-120.6	0	0	0	111.3	F172 A173 D221 Q255 Y258 D259 S261 Y266 S267 F268	F172-F264 HydrophobicContact CB-CE1 4.03Å; F172-F264 HydrophobicContact CD1-CD1 4.48Å; F172-F264 AromaticContact CD1-CE1 3.86Å; F172-F264 HydrophobicContact CD1-CE1 3.86Å; F172-F264 AromaticContact CD1-CZ 3.87Å; F172-F264 HydrophobicContact CD1-CZ 3.87Å; F172-F264 HydrophobicContact CG-CE1 4.47Å; A173-F264 HydrophobicContact CB-CE1 4.22Å; D221-F264 HydrophobicContact CB-CE2 4.05Å; D221-F264 HydrophobicContact CB-CZ 3.74Å; D221-F264 WeakPolarHBondContact O-CZ 3.33Å; Q255-F264 HydrophobicContact CB-CE2 4.42Å; Q255-F264 HydrophobicContact CG-CE2 4.19Å; Y258-F264 HydrophobicContact CD1-CB 4.08Å; Y258-F264 AromaticContact CD1-CD2 3.95Å; Y258-F264 HydrophobicContact CD1-CD2 3.95Å; Y258-F264 HydrophobicContact CG-CD2 4.01Å; D259-F264 VanDerWaalsContact O-CB 3.25Å; D259-F264 WeakPolarHBondContact O-CB 3.28Å; D259-F264 VanDerWaalsContact O-CD1 3.24Å; D259-F264 WeakPolarHBondContact O-CD1 3.39Å; D259-F264 VanDerWaalsContact O-CG 3.29Å; D259-F264 WeakPolarHBondContact O-CG 3.05Å; S261-F264 WeakPolarHBondContact O-CB 3.42Å; S261-F264 PolarHBondContact O-N 3.48Å; F264-Y266 PolarHBondContact O-N 3.17Å; F264-S267 WeakPolarHBondContact O-CB 3.37Å; F264-S267 PolarHBondContact O-N 3.04Å; F264-S267 VanDerWaalsContact O-N 3.16Å; F264-F268 AromaticContact CD2-CD2 3.71Å; F264-F268 HydrophobicContact CD2-CD2 3.71Å; F264-F268 AromaticContact CD2-CE2 3.75Å; F264-F268 HydrophobicContact CD2-CE2 3.75Å; F264-F268 AromaticContact CE2-CD2 3.65Å; F264-F268 HydrophobicContact CE2-CD2 3.65Å; F264-F268 AromaticContact CE2-CE2 3.85Å; F264-F268 HydrophobicContact CE2-CE2 3.85Å; F264-F268 WeakPolarHBondContact O-CD2 3.46Å
265	I	98.9	Very high	98.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-49.2	179.5	-58.8	168.2	0	0	0	111.2	W50 A65 H148 F172 S261 Y262 S267 F268 I269	W50-I265 HydrophobicContact CH2-CD1 4.31Å; W50-I265 HydrophobicContact CH2-CG2 3.78Å; W50-I265 HydrophobicContact CZ2-CD1 4.31Å; W50-I265 HydrophobicContact CZ2-CG2 4.43Å; W50-I265 HydrophobicContact CZ3-CG2 4.49Å; A65-I265 HydrophobicContact CB-CG2 4.27Å; H148-I265 HydrophobicContact CB-CD1 3.87Å; H148-I265 VanDerWaalsContact CG-CD1 3.5Å; F172-I265 HydrophobicContact CB-CG1 4.27Å; F172-I265 HydrophobicContact CD1-CB 4.28Å; F172-I265 HydrophobicContact CD1-CG1 4.07Å; F172-I265 HydrophobicContact CD1-CG2 4.29Å; F172-I265 HydrophobicContact CE1-CB 4.39Å; F172-I265 HydrophobicContact CE1-CG2 4.16Å; F172-I265 HydrophobicContact CE2-CG2 4.43Å; F172-I265 HydrophobicContact CG-CG1 4.21Å; F172-I265 HydrophobicContact CG-CG2 4.45Å; F172-I265 HydrophobicContact CZ-CG2 4.27Å; S261-I265 PolarHBondContact O-N 2.73Å; Y262-I265 HydrophobicContact CD1-CB 4.25Å; Y262-I265 HydrophobicContact CD1-CD1 3.79Å; Y262-I265 HydrophobicContact CD1-CG2 4.43Å; Y262-I265 HydrophobicContact CD2-CD1 4.28Å; Y262-I265 HydrophobicContact CE1-CD1 3.82Å; Y262-I265 HydrophobicContact CE2-CD1 4.33Å; Y262-I265 HydrophobicContact CG-CD1 4.04Å; Y262-I265 PolarHBondContact O-N 3.47Å; I265-S267 PolarHBondContact O-N 3.36Å; I265-F268 PolarHBondContact O-N 2.98Å; I265-F268 VanDerWaalsContact O-N 3.12Å; I265-I269 WeakPolarHBondContact O-CB 3.34Å; I265-I269 PolarHBondContact O-N 3.27Å
266	Y	98.8	Very high	98.7	Very high	143 Å²	143	48.8 Å²	48.8	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-53.6	-39	178.5	173.6	-90.1	0	0	0	112	A65 Y262 F264 F268	A65-Y266 WeakPolarHBondContact O-CA 3.31Å; A65-Y266 WeakPolarHBondContact O-CD2 3.49Å; Y262-Y266 WeakPolarHBondContact O-CB 3.42Å; Y262-Y266 PolarHBondContact O-N 2.79Å; F264-Y266 PolarHBondContact O-N 3.17Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 PolarHBondContact O-N 2.73Å
267	S	98.8	Very high	98.7	Very high	56 Å²	56	45.1 Å²	45.1	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-28.7	-177.3	-60.8	0	0	0	0	113.4	Y258 F263 F264 I265	Y258-S267 WeakPolarHBondContact CE1-OG 3.49Å; F263-S267 WeakPolarHBondContact O-CB 3.42Å; F263-S267 PolarHBondContact O-N 3.29Å; F263-S267 VanDerWaalsContact O-N 3.16Å; F263-S267 PolarHBondContact O-OG 3.26Å; F264-S267 WeakPolarHBondContact O-CB 3.37Å; F264-S267 PolarHBondContact O-N 3.04Å; F264-S267 VanDerWaalsContact O-N 3.16Å; I265-S267 PolarHBondContact O-N 3.36Å
268	F	98.9	Very high	98.7	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-121.7	1.2	-175.5	-53	-78.5	0	0	0	114.4	F172 Q255 Y258 F264 I265 Y266 N270 D271 H272	F172-F268 HydrophobicContact CE1-CB 3.92Å; F172-F268 HydrophobicContact CZ-CB 4.45Å; Q255-F268 HydrophobicContact CB-CE2 4.05Å; Q255-F268 HydrophobicContact CB-CZ 4.06Å; Q255-F268 HydrophobicContact CG-CD2 4.34Å; Q255-F268 HydrophobicContact CG-CE1 4.24Å; Q255-F268 HydrophobicContact CG-CE2 3.67Å; Q255-F268 HydrophobicContact CG-CZ 3.61Å; Q255-F268 VanDerWaalsContact NE2-CE1 3.34Å; Y258-F268 AromaticContact CD1-CE2 3.89Å; Y258-F268 HydrophobicContact CD1-CE2 3.89Å; Y258-F268 HydrophobicContact CD2-CE2 4.02Å; Y258-F268 HydrophobicContact CD2-CZ 4.1Å; Y258-F268 AromaticContact CE1-CE2 3.74Å; Y258-F268 HydrophobicContact CE1-CE2 3.74Å; Y258-F268 HydrophobicContact CE1-CZ 4.17Å; Y258-F268 AromaticContact CE2-CE2 3.87Å; Y258-F268 HydrophobicContact CE2-CE2 3.87Å; Y258-F268 AromaticContact CE2-CZ 3.62Å; Y258-F268 HydrophobicContact CE2-CZ 3.62Å; Y258-F268 HydrophobicContact CG-CE2 4Å; Y258-F268 AromaticContact CZ-CE2 3.71Å; Y258-F268 AromaticContact CZ-CZ 3.64Å; F264-F268 AromaticContact CD2-CD2 3.71Å; F264-F268 HydrophobicContact CD2-CD2 3.71Å; F264-F268 AromaticContact CD2-CE2 3.75Å; F264-F268 HydrophobicContact CD2-CE2 3.75Å; F264-F268 AromaticContact CE2-CD2 3.65Å; F264-F268 HydrophobicContact CE2-CD2 3.65Å; F264-F268 AromaticContact CE2-CE2 3.85Å; F264-F268 HydrophobicContact CE2-CE2 3.85Å; F264-F268 WeakPolarHBondContact O-CD2 3.46Å; I265-F268 PolarHBondContact O-N 2.98Å; I265-F268 VanDerWaalsContact O-N 3.12Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 PolarHBondContact O-N 2.73Å; F268-N270 PolarHBondContact O-N 3.43Å; F268-D271 WeakPolarHBondContact O-CB 3.28Å; F268-D271 PolarHBondContact O-N 3.36Å; F268-D271 VanDerWaalsContact O-N 3.1Å; F268-H272 PolarHBondContact O-CD2 3.44Å; F268-H272 PolarHBondContact O-N 3.1Å
269	I	98.9	Very high	98.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-35.7	-179.2	-166.1	55.2	0	0	0	112.6	W50 F61 A65 F172 I265 D271 H272 I273	W50-I269 HydrophobicContact CZ3-CD1 4.16Å; F61-I269 HydrophobicContact CE2-CD1 3.96Å; F61-I269 HydrophobicContact CE2-CG1 4.42Å; F61-I269 HydrophobicContact CZ-CD1 4.37Å; A65-I269 VanDerWaalsContact O-CG2 3.24Å; A65-I269 WeakPolarHBondContact O-CG2 3.47Å; F172-I269 HydrophobicContact CE2-CD1 4.08Å; F172-I269 HydrophobicContact CZ-CD1 4.17Å; I265-I269 WeakPolarHBondContact O-CB 3.34Å; I265-I269 PolarHBondContact O-N 3.27Å; I269-D271 VanDerWaalsContact C-N 3.32Å; I269-D271 PolarHBondContact O-N 2.84Å; I269-H272 PolarHBondContact O-N 2.81Å; I269-I273 HydrophobicContact CG1-CG1 4.33Å; I269-I273 WeakPolarHBondContact O-CG1 3.45Å; I269-I273 PolarHBondContact O-N 2.95Å
270	N	98.6	Very high	98.5	Very high	72 Å²	72	44.4 Å²	44.4	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-37.7	-179.7	-72.3	-11.7	0	0	0	111.6	A70 F268 H272 I273 K274	A70-N270 HydrophobicContact CB-CB 4.49Å; A70-N270 WeakPolarHBondContact CB-OD1 3.11Å; F268-N270 PolarHBondContact O-N 3.43Å; N270-H272 VanDerWaalsContact C-N 3.35Å; N270-I273 PolarHBondContact O-N 2.87Å; N270-K274 WeakPolarHBondContact O-CB 3.33Å; N270-K274 VanDerWaalsContact O-CG 3.28Å; N270-K274 WeakPolarHBondContact O-CG 3.22Å; N270-K274 PolarHBondContact O-N 2.84Å
271	D	98.8	Very high	98.4	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.342	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-41.1	175.6	-71	-5.9	0	0	0	111	R253 F268 I269 K274 H275	R253-D271 IonicContact CZ-OD2 3.76Å; R253-D271 IonicContact NH1-OD2 2.77Å; R253-D271 PolarHBondContact NH1-OD2 3.01Å; R253-D271 IonicContact NH2-OD2 2.8Å; R253-D271 PolarHBondContact NH2-OD2 3.14Å; F268-D271 WeakPolarHBondContact O-CB 3.28Å; F268-D271 PolarHBondContact O-N 3.36Å; F268-D271 VanDerWaalsContact O-N 3.1Å; I269-D271 VanDerWaalsContact C-N 3.32Å; I269-D271 PolarHBondContact O-N 2.84Å; D271-K274 PolarHBondContact O-N 3.49Å; D271-H275 WeakPolarHBondContact O-CB 3.5Å; D271-H275 PolarHBondContact O-N 2.85Å
272	H	98.9	Very high	97.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-43.9	176.6	-79.2	-114.4	0	0	0	111.9	S170 F172 D221 F268 I269 N270 K274 H275 H276	S170-H272 WeakPolarHBondContact CB-ND1 3.28Å; S170-H272 PolarHBondContact OG-ND1 2.8Å; F172-H272 AromaticContact CD2-CE1 3.88Å; F172-H272 AromaticContact CD2-ND1 3.99Å; F172-H272 AromaticContact CE1-CD2 3.95Å; F172-H272 AromaticContact CE1-NE2 3.86Å; F172-H272 HydrophobicContact CE2-CB 4.03Å; F172-H272 AromaticContact CE2-CD2 3.65Å; F172-H272 AromaticContact CE2-CE1 3.51Å; F172-H272 AromaticContact CE2-CG 3.41Å; F172-H272 VanDerWaalsContact CE2-CG 3.41Å; F172-H272 AromaticContact CE2-ND1 3.32Å; F172-H272 VanDerWaalsContact CE2-ND1 3.32Å; F172-H272 WeakPolarHBondContact CE2-ND1 3.23Å; F172-H272 AromaticContact CE2-NE2 3.71Å; F172-H272 HydrophobicContact CZ-CB 4.09Å; F172-H272 AromaticContact CZ-CD2 3.23Å; F172-H272 WeakPolarHBondContact CZ-CD2 3.34Å; F172-H272 AromaticContact CZ-CE1 3.78Å; F172-H272 AromaticContact CZ-CG 3.44Å; F172-H272 VanDerWaalsContact CZ-CG 3.44Å; F172-H272 AromaticContact CZ-ND1 3.78Å; F172-H272 AromaticContact CZ-NE2 3.46Å; F172-H272 WeakPolarHBondContact CZ-NE2 3.29Å; D221-H272 IonicContact OD2-CD2 3.22Å; D221-H272 IonicContact OD2-NE2 3.47Å; D221-H272 PolarHBondContact OD2-NE2 3.08Å; F268-H272 PolarHBondContact O-CD2 3.44Å; F268-H272 PolarHBondContact O-N 3.1Å; I269-H272 PolarHBondContact O-N 2.81Å; N270-H272 VanDerWaalsContact C-N 3.35Å; H272-K274 VanDerWaalsContact C-N 3.3Å; H272-K274 PolarHBondContact O-N 2.89Å; H272-H275 WeakPolarHBondContact O-CB 3.38Å; H272-H275 PolarHBondContact O-N 3.01Å; H272-H276 PolarHBondContact O-CD2 3.46Å; H272-H276 PolarHBondContact O-N 3.15Å
273	I	98.8	Very high	97.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-42.2	175.7	-63.3	-67.7	0	0	0	110.5	L48 A70 I76 I269 N270 H276 A277	L48-I273 HydrophobicContact CD2-CD1 3.4Å; L48-I273 VanDerWaalsContact CD2-CD1 3.4Å; A70-I273 HydrophobicContact CB-CB 3.89Å; A70-I273 HydrophobicContact CB-CG1 4.19Å; A70-I273 HydrophobicContact CB-CG2 3.74Å; I76-I273 HydrophobicContact CD1-CG2 4.3Å; I269-I273 HydrophobicContact CG1-CG1 4.33Å; I269-I273 WeakPolarHBondContact O-CG1 3.45Å; I269-I273 PolarHBondContact O-N 2.95Å; N270-I273 PolarHBondContact O-N 2.87Å; I273-H276 PolarHBondContact O-N 3.01Å; I273-A277 WeakPolarHBondContact O-CB 3.49Å; I273-A277 PolarHBondContact O-N 2.86Å
274	K	98.6	Very high	97.8	Very high	104 Å²	104	47.2 Å²	47.2	45%	0.452	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-42	174.8	-75.8	170.5	-177.9	179.9	0	112.5	H74 N270 D271 H272 A277 K278	H74-K274 WeakPolarHBondContact NE2-CG 3.43Å; N270-K274 WeakPolarHBondContact O-CB 3.33Å; N270-K274 VanDerWaalsContact O-CG 3.28Å; N270-K274 WeakPolarHBondContact O-CG 3.22Å; N270-K274 PolarHBondContact O-N 2.84Å; D271-K274 PolarHBondContact O-N 3.49Å; H272-K274 VanDerWaalsContact C-N 3.3Å; H272-K274 PolarHBondContact O-N 2.89Å; K274-A277 PolarHBondContact O-N 2.87Å; K274-K278 PolarHBondContact O-N 3.12Å; K274-K278 VanDerWaalsContact O-N 3.09Å
275	H	98.6	Very high	97.7	Very high	30 Å²	30	49.8 Å²	49.8	14%	0.139	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-51.9	173.7	174	80.6	0	0	0	110.7	D217 L219 D271 H272 A277 K278 Y279	D217-H275 PolarHBondContact O-CE1 3.32Å; D217-H275 PolarHBondContact O-NE2 2.81Å; L219-H275 HydrophobicContact CD2-CB 3.83Å; D271-H275 WeakPolarHBondContact O-CB 3.5Å; D271-H275 PolarHBondContact O-N 2.85Å; H272-H275 WeakPolarHBondContact O-CB 3.38Å; H272-H275 PolarHBondContact O-N 3.01Å; H275-A277 PolarHBondContact O-N 2.73Å; H275-K278 WeakPolarHBondContact O-CB 3.13Å; H275-K278 PolarHBondContact O-N 3.36Å; H275-Y279 AromaticContact CE1-CE2 3.5Å; H275-Y279 VanDerWaalsContact CE1-CE2 3.5Å; H275-Y279 WeakPolarHBondContact CE1-CE2 3.42Å; H275-Y279 AromaticContact ND1-CE2 3.7Å; H275-Y279 AromaticContact NE2-CE2 3.84Å; H275-Y279 WeakPolarHBondContact O-CD2 3.42Å; H275-Y279 VanDerWaalsContact O-CE2 3.28Å; H275-Y279 WeakPolarHBondContact O-CE2 3.38Å
276	H	98.6	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-41	177.4	-70.7	-64.4	0	0	0	112.6	L48 S144 I145 S170 H272 I273 K278 Y279 L280	L48-H276 HydrophobicContact CD1-CB 4.46Å; S144-H276 VanDerWaalsContact CB-ND1 3.32Å; S144-H276 WeakPolarHBondContact CB-ND1 3.46Å; I145-H276 PolarHBondContact O-CE1 3.09Å; S170-H276 PolarHBondContact OG-NE2 2.91Å; H272-H276 PolarHBondContact O-CD2 3.46Å; H272-H276 PolarHBondContact O-N 3.15Å; I273-H276 PolarHBondContact O-N 3.01Å; H276-K278 VanDerWaalsContact C-N 3.25Å; H276-K278 PolarHBondContact O-N 3.31Å; H276-Y279 PolarHBondContact O-N 2.82Å; H276-Y279 VanDerWaalsContact O-N 3.11Å; H276-L280 HydrophobicContact CB-CD1 4.17Å; H276-L280 WeakPolarHBondContact O-CB 3.4Å; H276-L280 WeakPolarHBondContact O-CG 3.35Å; H276-L280 PolarHBondContact O-N 3.36Å
277	A	98.4	Very high	97.6	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-37.5	178.4	0	0	0	0	0	112.5	H74 I76 I273 K274 H275 Y279 L280 N281	H74-A277 HydrophobicContact CB-CB 3.84Å; I76-A277 HydrophobicContact CD1-CB 3.77Å; I273-A277 WeakPolarHBondContact O-CB 3.49Å; I273-A277 PolarHBondContact O-N 2.86Å; K274-A277 PolarHBondContact O-N 2.87Å; H275-A277 PolarHBondContact O-N 2.73Å; A277-Y279 PolarHBondContact O-N 2.78Å; A277-L280 PolarHBondContact O-N 2.9Å; A277-N281 WeakPolarHBondContact O-CB 3.45Å; A277-N281 PolarHBondContact O-N 2.9Å
278	K	98	Very high	97.5	Very high	136 Å²	136	46.5 Å²	46.5	59%	0.591	25%	0.253	S	S	*	.	H	α-helix	trans	-55.7	-37.4	176.7	-177.8	-170.2	167.1	-156.5	0	112.5	K274 H275 H276 A282	K274-K278 PolarHBondContact O-N 3.12Å; K274-K278 VanDerWaalsContact O-N 3.09Å; H275-K278 WeakPolarHBondContact O-CB 3.13Å; H275-K278 PolarHBondContact O-N 3.36Å; H276-K278 VanDerWaalsContact C-N 3.25Å; H276-K278 PolarHBondContact O-N 3.31Å; K278-A282 WeakPolarHBondContact O-CB 3.37Å
279	Y	96.9	Very high	97.4	Very high	51 Å²	51	48.3 Å²	48.3	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-95.8	-27.4	-178	-53.5	-83.5	0	0	0	113	A168 D217 H275 H276 A277	A168-Y279 HydrophobicContact CB-CD2 3.48Å; A168-Y279 VanDerWaalsContact CB-CD2 3.48Å; A168-Y279 HydrophobicContact CB-CE2 4.18Å; A168-Y279 HydrophobicContact CB-CG 3.96Å; D217-Y279 HydrophobicContact CB-CE1 4.1Å; D217-Y279 HydrophobicContact CB-CE2 4.39Å; D217-Y279 WeakPolarHBondContact CB-OH 3.48Å; D217-Y279 VanDerWaalsContact OD2-CE1 3.32Å; D217-Y279 WeakPolarHBondContact OD2-CE1 3.44Å; D217-Y279 PolarHBondContact OD2-OH 3.32Å; H275-Y279 AromaticContact CE1-CE2 3.5Å; H275-Y279 VanDerWaalsContact CE1-CE2 3.5Å; H275-Y279 WeakPolarHBondContact CE1-CE2 3.42Å; H275-Y279 AromaticContact ND1-CE2 3.7Å; H275-Y279 AromaticContact NE2-CE2 3.84Å; H275-Y279 WeakPolarHBondContact O-CD2 3.42Å; H275-Y279 VanDerWaalsContact O-CE2 3.28Å; H275-Y279 WeakPolarHBondContact O-CE2 3.38Å; H276-Y279 PolarHBondContact O-N 2.82Å; H276-Y279 VanDerWaalsContact O-N 3.11Å; A277-Y279 PolarHBondContact O-N 2.78Å
280	L	97	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-81.2	-24.7	179.8	-71.7	175.9	0	0	0	113.6	P46 I76 R142 S144 K167 H276 A277	P46-L280 HydrophobicContact CB-CB 3.81Å; P46-L280 HydrophobicContact CB-CD1 4.11Å; P46-L280 HydrophobicContact CB-CD2 3.92Å; P46-L280 HydrophobicContact CB-CG 4.17Å; P46-L280 HydrophobicContact CG-CB 3.99Å; P46-L280 HydrophobicContact CG-CD1 4.49Å; I76-L280 HydrophobicContact CD1-CD1 4.23Å; I76-L280 HydrophobicContact CG2-CD1 4.4Å; R142-L280 HydrophobicContact CB-CD2 4.18Å; R142-L280 WeakPolarHBondContact CD-O 3.45Å; R142-L280 PolarHBondContact NH1-O 3.34Å; R142-L280 WeakPolarHBondContact O-CD2 3.36Å; S144-L280 WeakPolarHBondContact OG-CD2 3.31Å; S144-L280 WeakPolarHBondContact OG-CG 3.49Å; K167-L280 HydrophobicContact CB-CD2 4.14Å; K167-L280 HydrophobicContact CG-CD2 4.1Å; H276-L280 HydrophobicContact CB-CD1 4.17Å; H276-L280 WeakPolarHBondContact O-CB 3.4Å; H276-L280 WeakPolarHBondContact O-CG 3.35Å; H276-L280 PolarHBondContact O-N 3.36Å; A277-L280 PolarHBondContact O-N 2.9Å
281	N	95.2	Very high	97.2	Very high	69 Å²	69	50 Å²	50	37%	0.369	28%	0.275	S	S	.	.			trans	-110.9	10.2	180	-65.2	-28.4	0	0	0	113	H74 A277	H74-N281 PolarHBondContact O-ND2 3.04Å; H74-N281 VanDerWaalsContact O-ND2 3.1Å; A277-N281 WeakPolarHBondContact O-CB 3.45Å; A277-N281 PolarHBondContact O-N 2.9Å
282	A	88.3	Confident	97	Very high	137 Å²	137	48.7 Å²	48.7	100%	1.132	27%	0.269	S	S	*	.			trans	-70.6	0	172.5	0	0	0	0	0	112.5	K278	K278-A282 WeakPolarHBondContact O-CB 3.37Å

Retrieved 282 of 282 residues in 142.6 ms (Link to these results)

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