FRIH2_SCHMA Loading...

Ferritin-2 heavy chain

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation (By similarity).

AlphaFold DB , UniProt , Accession P25320, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SCM-2, Length 172 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	53.3	Low	77.5	Confident	244 Å²	244	110.9 Å²	110.9	100%	1.202	61%	0.605	S	S	*	*				0	132	0	-69.5	177.9	-161.2	0	0	107.9	S3	M1-S3 PolarHBondContact O-N 3.27Å
2	S	58.2	Low	79	Confident	111 Å²	111	109.2 Å²	109.2	78%	0.776	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.7	169.5	179	0	0	0	0	108.2	S4	S2-S4 PolarHBondContact O-N 3.35Å
3	S	68.2	Low	80.4	Confident	105 Å²	105	106.7 Å²	106.7	73%	0.734	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-55.4	132.1	163.8	48.7	0	0	0	0	107.2	M1 R5	M1-S3 PolarHBondContact O-N 3.27Å; S3-R5 PolarHBondContact O-N 3.47Å
4	S	75.5	Confident	81.6	Confident	48 Å²	48	99.1 Å²	99.1	34%	0.336	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-66.3	136.2	176.6	173.4	0	0	0	0	109.2	S2 A6 V75	S2-S4 PolarHBondContact O-N 3.35Å; S4-A6 PolarHBondContact O-N 3.29Å; S4-A6 PolarHBondContact OG-N 3.33Å; S4-V75 WeakPolarHBondContact OG-CG1 3.04Å
5	R	80.4	Confident	82.7	Confident	253 Å²	253	93.5 Å²	93.5	96%	0.955	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.9	177.9	-61.9	-178.7	-177.3	-179.9	0.1	113.2	S3	S3-R5 PolarHBondContact O-N 3.47Å
6	A	83.2	Confident	83.6	Confident	69 Å²	69	92.9 Å²	92.9	57%	0.57	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.2	-175.6	0	0	0	0	0	113.6	S4 Q8 V75	S4-A6 PolarHBondContact O-N 3.29Å; S4-A6 PolarHBondContact OG-N 3.33Å; A6-Q8 PolarHBondContact O-N 3.38Å; A6-V75 HydrophobicContact CB-CG2 3.59Å
7	R	81.7	Confident	84.5	Confident	90 Å²	90	88.5 Å²	88.5	34%	0.34	49%	0.485	S	S	.	.			trans	-74.1	115.3	-178.6	-168.6	172.9	-173.5	117.8	-4.8	109.4	F10 E15 V75	R7-F10 HydrophobicContact CG-CB 4.45Å; R7-F10 PolarHBondContact NE-O 3.21Å; R7-F10 PolarHBondContact NH2-O 3.34Å; R7-E15 IonicContact CZ-OE2 3.25Å; R7-E15 VanDerWaalsContact CZ-OE2 3.25Å; R7-E15 IonicContact NH1-OE2 2.76Å; R7-E15 PolarHBondContact NH1-OE2 3.09Å; R7-E15 IonicContact NH2-OE2 2.77Å; R7-E15 PolarHBondContact NH2-OE2 2.94Å; R7-V75 HydrophobicContact CB-CB 4.11Å; R7-V75 HydrophobicContact CB-CG2 4.33Å; R7-V75 PolarHBondContact NH1-O 3.37Å
8	Q	82.6	Confident	85.3	Confident	155 Å²	155	83.6 Å²	83.6	72%	0.724	46%	0.458	S	S	*	.			trans	-136.3	123.1	179.8	-177.4	175.1	-10.5	0	0	109.7	A6 F10	A6-Q8 PolarHBondContact O-N 3.38Å; Q8-F10 PolarHBondContact O-N 3.42Å; Q8-F10 VanDerWaalsContact O-N 3.09Å
9	S	83	Confident	86	Confident	106 Å²	106	79.7 Å²	79.7	74%	0.741	44%	0.437	S	S	*	.	S	Bend	trans	44.9	44.7	175.3	-54.9	0	0	0	0	114.2	R74	S9-R74 PolarHBondContact O-NH2 2.86Å
10	F	91.2	Very high	86.7	Confident	11 Å²	11	81.3 Å²	81.3	5%	0.048	44%	0.439	C	S	.	.			trans	-117.1	100.7	-179.2	-170.3	-131.9	0	0	0	110.1	R7 Q8 C14 E15 I18 R74	R7-F10 HydrophobicContact CG-CB 4.45Å; R7-F10 PolarHBondContact NE-O 3.21Å; R7-F10 PolarHBondContact NH2-O 3.34Å; Q8-F10 PolarHBondContact O-N 3.42Å; Q8-F10 VanDerWaalsContact O-N 3.09Å; F10-C14 HydrophobicContact CD2-CB 4.18Å; F10-C14 HydrophobicContact CE2-CB 3.78Å; F10-E15 HydrophobicContact CD1-CB 4.44Å; F10-E15 HydrophobicContact CE1-CB 3.7Å; F10-E15 HydrophobicContact CZ-CB 3.89Å; F10-I18 HydrophobicContact CE2-CD1 3.9Å; F10-I18 HydrophobicContact CZ-CD1 3.71Å; F10-R74 HydrophobicContact CD1-CB 3.73Å; F10-R74 WeakPolarHBondContact CD1-O 3.47Å; F10-R74 HydrophobicContact CD2-CB 4.01Å; F10-R74 HydrophobicContact CD2-CG 4.43Å; F10-R74 HydrophobicContact CE1-CB 3.74Å; F10-R74 HydrophobicContact CE2-CB 4.04Å; F10-R74 HydrophobicContact CE2-CG 4.36Å; F10-R74 HydrophobicContact CG-CB 3.86Å; F10-R74 HydrophobicContact CZ-CB 3.9Å
11	A	95	Very high	87.2	Confident	28 Å²	28	77.5 Å²	77.5	23%	0.231	42%	0.419	C	S	.	.			trans	-69.9	145.5	-175.1	0	0	0	0	0	111.3	E13 C14 E15 N122	A11-E13 PolarHBondContact O-N 3.38Å; A11-C14 WeakPolarHBondContact O-CB 3.03Å; A11-C14 PolarHBondContact O-N 3.34Å; A11-C14 VanDerWaalsContact O-N 3.16Å; A11-E15 PolarHBondContact O-N 2.9Å; A11-N122 HydrophobicContact CB-CB 4.09Å; A11-N122 VanDerWaalsContact CB-OD1 3.28Å; A11-N122 WeakPolarHBondContact CB-OD1 3.36Å
12	T	95.1	Very high	89.4	Confident	90 Å²	90	66 Å²	66	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-60.5	-31.7	175.5	-50.8	0	0	0	0	111.6	E15 N16	T12-E15 PolarHBondContact O-N 3.36Å; T12-N16 WeakPolarHBondContact O-CB 3.4Å; T12-N16 PolarHBondContact O-N 3.5Å; T12-N16 PolarHBondContact O-ND2 2.82Å
13	E	97.5	Very high	91.3	Very high	77 Å²	77	62.2 Å²	62.2	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-44.9	175.4	-162.9	179.4	-166.6	0	0	111.3	A11 N16 A17 V118 K121 N122	A11-E13 PolarHBondContact O-N 3.38Å; E13-N16 PolarHBondContact O-N 3.09Å; E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.02Å; E13-V118 HydrophobicContact CB-CG1 4.29Å; E13-V118 HydrophobicContact CG-CG1 3.81Å; E13-K121 IonicContact OE1-NZ 2.89Å; E13-K121 PolarHBondContact OE1-NZ 3.41Å; E13-K121 IonicContact OE2-NZ 3.26Å; E13-K121 PolarHBondContact OE2-NZ 3.43Å; E13-N122 PolarHBondContact OE2-ND2 3.43Å
14	C	97.9	Very high	92.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-45.1	174.3	-60.7	0	0	0	0	112	F10 A11 N16 A17 I18 L127	F10-C14 HydrophobicContact CD2-CB 4.18Å; F10-C14 HydrophobicContact CE2-CB 3.78Å; A11-C14 WeakPolarHBondContact O-CB 3.03Å; A11-C14 PolarHBondContact O-N 3.34Å; A11-C14 VanDerWaalsContact O-N 3.16Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 2.77Å; C14-A17 PolarHBondContact O-N 3.25Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 2.99Å; C14-L127 HydrophobicContact CB-CD2 3.68Å
15	E	97.3	Very high	93.9	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-42.9	177	152.9	157.4	-152.4	0	0	112.1	R7 F10 A11 T12 N19 Q71 G76 R77	R7-E15 IonicContact CZ-OE2 3.25Å; R7-E15 VanDerWaalsContact CZ-OE2 3.25Å; R7-E15 IonicContact NH1-OE2 2.76Å; R7-E15 PolarHBondContact NH1-OE2 3.09Å; R7-E15 IonicContact NH2-OE2 2.77Å; R7-E15 PolarHBondContact NH2-OE2 2.94Å; F10-E15 HydrophobicContact CD1-CB 4.44Å; F10-E15 HydrophobicContact CE1-CB 3.7Å; F10-E15 HydrophobicContact CZ-CB 3.89Å; A11-E15 PolarHBondContact O-N 2.9Å; T12-E15 PolarHBondContact O-N 3.36Å; E15-N19 PolarHBondContact O-N 3.11Å; E15-N19 PolarHBondContact O-ND2 3.49Å; E15-Q71 PolarHBondContact O-NE2 3.45Å; E15-G76 VanDerWaalsContact OE1-CA 3.29Å; E15-G76 WeakPolarHBondContact OE1-CA 3.42Å; E15-R77 PolarHBondContact OE1-N 2.86Å
16	N	98.1	Very high	94.8	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-69.4	-38.9	176.5	-69.5	-15.6	0	0	0	112.1	T12 E13 C14 N19 K20	T12-N16 WeakPolarHBondContact O-CB 3.4Å; T12-N16 PolarHBondContact O-N 3.5Å; T12-N16 PolarHBondContact O-ND2 2.82Å; E13-N16 PolarHBondContact O-N 3.09Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 2.77Å; N16-N19 PolarHBondContact O-N 2.72Å; N16-K20 PolarHBondContact O-N 3.4Å
17	A	98.5	Very high	95.5	Very high	19 Å²	19	44.5 Å²	44.5	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-38.5	178.4	0	0	0	0	0	111.8	E13 C14 K20 Q21 L115 V118	E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.02Å; C14-A17 PolarHBondContact O-N 3.25Å; A17-K20 WeakPolarHBondContact O-CB 3.46Å; A17-K20 PolarHBondContact O-N 2.97Å; A17-Q21 PolarHBondContact O-N 3.2Å; A17-L115 HydrophobicContact CB-CD1 3.42Å; A17-L115 VanDerWaalsContact CB-CD1 3.42Å; A17-V118 HydrophobicContact CB-CB 4.34Å; A17-V118 HydrophobicContact CB-CG1 4.05Å; A17-V118 HydrophobicContact CB-CG2 4.37Å
18	I	98.8	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-42.4	172.8	-68.3	160.5	0	0	0	110.7	F10 C14 K20 Q21 I22 L67 Y70 Q71 L115 L127	F10-I18 HydrophobicContact CE2-CD1 3.9Å; F10-I18 HydrophobicContact CZ-CD1 3.71Å; C14-I18 WeakPolarHBondContact O-CG1 3.41Å; C14-I18 PolarHBondContact O-N 2.99Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.77Å; I18-Q21 PolarHBondContact O-N 2.84Å; I18-Q21 VanDerWaalsContact O-N 3.12Å; I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 2.76Å; I18-L67 HydrophobicContact CG2-CB 4.33Å; I18-L67 HydrophobicContact CG2-CD2 4.41Å; I18-Y70 HydrophobicContact CD1-CD1 4.17Å; I18-Y70 HydrophobicContact CD1-CE1 4.35Å; I18-Q71 VanDerWaalsContact CD1-OE1 3.29Å; I18-Q71 HydrophobicContact CG2-CB 3.95Å; I18-Q71 HydrophobicContact CG2-CG 4.39Å; I18-L115 HydrophobicContact CG1-CD1 4Å; I18-L115 HydrophobicContact CG1-CD2 4.4Å; I18-L127 HydrophobicContact CD1-CD1 3.84Å; I18-L127 HydrophobicContact CD1-CD2 4.06Å; I18-L127 HydrophobicContact CG1-CD1 4.21Å; I18-L127 HydrophobicContact CG1-CD2 4.49Å
19	N	98.7	Very high	97.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.053	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-39.4	175	-74.7	-29	0	0	0	112.2	E15 N16 N23 Q71 R77 V78 Q79	E15-N19 PolarHBondContact O-N 3.11Å; E15-N19 PolarHBondContact O-ND2 3.49Å; N16-N19 PolarHBondContact O-N 2.72Å; N19-N23 PolarHBondContact O-N 2.91Å; N19-Q71 PolarHBondContact OD1-NE2 3.08Å; N19-R77 PolarHBondContact ND2-O 2.89Å; N19-R77 PolarHBondContact OD1-O 3.01Å; N19-V78 VanDerWaalsContact OD1-CA 3.31Å; N19-V78 WeakPolarHBondContact OD1-CA 3.44Å; N19-Q79 PolarHBondContact OD1-N 2.77Å
20	K	98.7	Very high	97.8	Very high	111 Å²	111	34 Å²	34	48%	0.483	18%	0.177	S	C	.	.	H	α-helix	trans	-60	-47.5	171.8	178.7	-172.3	165	-162.7	0	110.7	N16 A17 I18 N23 V24 E114	N16-K20 PolarHBondContact O-N 3.4Å; A17-K20 WeakPolarHBondContact O-CB 3.46Å; A17-K20 PolarHBondContact O-N 2.97Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.77Å; K20-N23 WeakPolarHBondContact O-CB 3.37Å; K20-N23 PolarHBondContact O-N 3.17Å; K20-N23 VanDerWaalsContact O-N 3.14Å; K20-V24 PolarHBondContact O-N 3.25Å; K20-V24 VanDerWaalsContact O-N 3.08Å; K20-E114 IonicContact NZ-OE2 3.46Å; K20-E114 PolarHBondContact NZ-OE2 2.89Å
21	Q	98.8	Very high	98.2	Very high	2 Å²	2	34 Å²	34	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-39.8	-178.7	-167.9	63.1	26.5	0	0	112.3	A17 I18 N23 V24 E25 L67 S111 L112 L115	A17-Q21 PolarHBondContact O-N 3.2Å; I18-Q21 PolarHBondContact O-N 2.84Å; I18-Q21 VanDerWaalsContact O-N 3.12Å; Q21-N23 PolarHBondContact O-N 3.22Å; Q21-V24 WeakPolarHBondContact O-CA 3.29Å; Q21-V24 WeakPolarHBondContact O-CB 3.34Å; Q21-V24 PolarHBondContact O-N 3.05Å; Q21-E25 PolarHBondContact NE2-OE1 3.19Å; Q21-E25 WeakPolarHBondContact O-CG 3.28Å; Q21-E25 PolarHBondContact O-N 3.26Å; Q21-L67 HydrophobicContact CB-CD1 4.04Å; Q21-L67 HydrophobicContact CG-CD1 3.56Å; Q21-L67 HydrophobicContact CG-CD2 4.41Å; Q21-S111 VanDerWaalsContact OE1-CB 3.27Å; Q21-S111 PolarHBondContact OE1-OG 3.03Å; Q21-L112 HydrophobicContact CG-CD2 3.85Å; Q21-L115 HydrophobicContact CB-CD2 3.92Å; Q21-L115 HydrophobicContact CG-CD2 4.08Å
22	I	98.9	Very high	98.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-53	-42.6	172.2	-69.8	166	0	0	0	110.5	I18 E25 L26 L67 A68 V78 Y80	I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 2.76Å; I22-E25 PolarHBondContact O-N 2.89Å; I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CB 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.02Å; I22-L67 HydrophobicContact CD1-CB 4.25Å; I22-L67 HydrophobicContact CG1-CB 3.53Å; I22-L67 HydrophobicContact CG1-CD1 4.35Å; I22-A68 HydrophobicContact CD1-CB 4.03Å; I22-V78 HydrophobicContact CD1-CG1 4.09Å; I22-V78 HydrophobicContact CD1-CG2 4.39Å; I22-Y80 HydrophobicContact CG2-CD1 4.42Å; I22-Y80 HydrophobicContact CG2-CE1 4.18Å
23	N	98.7	Very high	98.5	Very high	31 Å²	31	31.7 Å²	31.7	17%	0.166	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-32	177.9	-160.6	82.9	0	0	0	113.1	N19 K20 Q21 Q27 S81	N19-N23 PolarHBondContact O-N 2.91Å; K20-N23 WeakPolarHBondContact O-CB 3.37Å; K20-N23 PolarHBondContact O-N 3.17Å; K20-N23 VanDerWaalsContact O-N 3.14Å; Q21-N23 PolarHBondContact O-N 3.22Å; N23-Q27 VanDerWaalsContact O-CB 3.3Å; N23-Q27 WeakPolarHBondContact O-CB 3.24Å; N23-Q27 PolarHBondContact O-N 3.42Å; N23-S81 WeakPolarHBondContact OD1-CB 3.41Å; N23-S81 PolarHBondContact OD1-O 2.96Å
24	V	98.8	Very high	98.6	Very high	36 Å²	36	28.4 Å²	28.4	22%	0.218	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-48.7	174	170.9	0	0	0	0	110.2	K20 Q21 L26 Q27 A28 V108	K20-V24 PolarHBondContact O-N 3.25Å; K20-V24 VanDerWaalsContact O-N 3.08Å; Q21-V24 WeakPolarHBondContact O-CA 3.29Å; Q21-V24 WeakPolarHBondContact O-CB 3.34Å; Q21-V24 PolarHBondContact O-N 3.05Å; V24-L26 PolarHBondContact O-N 2.97Å; V24-Q27 WeakPolarHBondContact O-CB 3.36Å; V24-Q27 PolarHBondContact O-N 3.19Å; V24-Q27 VanDerWaalsContact O-N 3.17Å; V24-A28 PolarHBondContact O-N 2.89Å; V24-V108 HydrophobicContact CG1-CG2 4.04Å
25	E	98.8	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-37.7	179.6	-49.6	-49.1	177.9	0	0	112	Q21 I22 Q27 A28 A29 E60 H63 A64 L67 V108	Q21-E25 PolarHBondContact NE2-OE1 3.19Å; Q21-E25 WeakPolarHBondContact O-CG 3.28Å; Q21-E25 PolarHBondContact O-N 3.26Å; I22-E25 PolarHBondContact O-N 2.89Å; E25-Q27 VanDerWaalsContact C-N 3.32Å; E25-Q27 PolarHBondContact O-N 2.92Å; E25-A28 PolarHBondContact O-N 3.39Å; E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.26Å; E25-E60 WeakPolarHBondContact CB-O 3.3Å; E25-H63 HydrophobicContact CB-CB 4.16Å; E25-H63 HydrophobicContact CG-CB 3.83Å; E25-A64 HydrophobicContact CB-CB 3.85Å; E25-L67 HydrophobicContact CG-CD1 3.65Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.22Å
26	L	98.8	Very high	98.7	Very high	38 Å²	38	29.5 Å²	29.5	20%	0.199	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-35.5	174	-70.8	172.6	0	0	0	112.6	I22 V24 Y30 A64 Y80 I83	I22-L26 HydrophobicContact CG2-CD1 3.91Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CB 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.02Å; V24-L26 PolarHBondContact O-N 2.97Å; L26-Y30 PolarHBondContact O-N 2.88Å; L26-Y30 VanDerWaalsContact O-N 3.14Å; L26-A64 HydrophobicContact CD2-CB 3.7Å; L26-A64 HydrophobicContact CG-CB 3.73Å; L26-Y80 HydrophobicContact CD1-CD1 4.03Å; L26-Y80 HydrophobicContact CD1-CE1 4.18Å; L26-I83 HydrophobicContact CB-CD1 3.74Å; L26-I83 HydrophobicContact CB-CG1 4.42Å; L26-I83 HydrophobicContact CD1-CD1 4.45Å
27	Q	98.6	Very high	98.7	Very high	30 Å²	30	29.2 Å²	29.2	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-45.7	173.5	-177.3	65.1	68.3	0	0	110.6	N23 V24 E25 A29 Y30 D31 N84	N23-Q27 VanDerWaalsContact O-CB 3.3Å; N23-Q27 WeakPolarHBondContact O-CB 3.24Å; N23-Q27 PolarHBondContact O-N 3.42Å; V24-Q27 WeakPolarHBondContact O-CB 3.36Å; V24-Q27 PolarHBondContact O-N 3.19Å; V24-Q27 VanDerWaalsContact O-N 3.17Å; E25-Q27 VanDerWaalsContact C-N 3.32Å; E25-Q27 PolarHBondContact O-N 2.92Å; Q27-A29 PolarHBondContact O-N 2.86Å; Q27-Y30 PolarHBondContact O-N 3.34Å; Q27-Y30 VanDerWaalsContact O-N 3.08Å; Q27-D31 PolarHBondContact NE2-OD2 3.06Å; Q27-D31 PolarHBondContact O-N 3.4Å; Q27-N84 PolarHBondContact NE2-O 3.25Å; Q27-N84 VanDerWaalsContact NE2-O 3.08Å; Q27-N84 PolarHBondContact OE1-O 3.43Å
28	A	98.7	Very high	98.7	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-43.7	176.9	0	0	0	0	0	111.8	V24 E25 Y30 D31 Y32 E60 V108	V24-A28 PolarHBondContact O-N 2.89Å; E25-A28 PolarHBondContact O-N 3.39Å; A28-Y30 VanDerWaalsContact C-N 3.26Å; A28-Y30 PolarHBondContact O-N 3.44Å; A28-D31 PolarHBondContact O-N 3.24Å; A28-Y32 PolarHBondContact O-N 2.92Å; A28-E60 HydrophobicContact CB-CB 4.23Å; A28-E60 HydrophobicContact CB-CG 3.9Å; A28-V108 HydrophobicContact CB-CG2 4.26Å
29	A	98.7	Very high	98.7	Very high	9 Å²	9	29.9 Å²	29.9	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-56.3	-41.6	173.1	0	0	0	0	0	111.9	E25 Q27 M33 S57 E60 R61	E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.26Å; Q27-A29 PolarHBondContact O-N 2.86Å; A29-M33 PolarHBondContact O-N 3.14Å; A29-M33 VanDerWaalsContact O-N 3.1Å; A29-S57 WeakPolarHBondContact CB-O 3.38Å; A29-S57 WeakPolarHBondContact O-CB 3.46Å; A29-S57 PolarHBondContact O-OG 2.78Å; A29-E60 HydrophobicContact CB-CB 3.82Å; A29-R61 HydrophobicContact CB-CB 4.16Å
30	Y	98.5	Very high	98.7	Very high	115 Å²	115	34.2 Å²	34.2	45%	0.451	17%	0.171	S	C	.	.	H	α-helix	trans	-74.5	-36.2	179.4	-167.7	-148.8	0	0	0	112.9	L26 Q27 A28 M33 A34 I83 N84 P86	L26-Y30 PolarHBondContact O-N 2.88Å; L26-Y30 VanDerWaalsContact O-N 3.14Å; Q27-Y30 PolarHBondContact O-N 3.34Å; Q27-Y30 VanDerWaalsContact O-N 3.08Å; A28-Y30 VanDerWaalsContact C-N 3.26Å; A28-Y30 PolarHBondContact O-N 3.44Å; Y30-M33 HydrophobicContact CD2-CB 4.41Å; Y30-M33 WeakPolarHBondContact O-CB 3.3Å; Y30-M33 PolarHBondContact O-N 3.28Å; Y30-A34 PolarHBondContact O-N 3.35Å; Y30-I83 HydrophobicContact CD1-CG2 3.59Å; Y30-I83 HydrophobicContact CE1-CG2 4.4Å; Y30-I83 HydrophobicContact CG-CG2 4.3Å; Y30-N84 WeakPolarHBondContact CD1-O 3.41Å; Y30-P86 HydrophobicContact CD1-CG 4.11Å; Y30-P86 HydrophobicContact CD2-CG 4.36Å; Y30-P86 HydrophobicContact CE1-CG 4.1Å; Y30-P86 HydrophobicContact CE2-CG 4.3Å; Y30-P86 HydrophobicContact CG-CG 4.27Å
31	D	98.8	Very high	98.7	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-50.4	171.6	-75.8	-52.3	0	0	0	110.1	Q27 A28 M33 A34 F35 P86 T87 M104	Q27-D31 PolarHBondContact NE2-OD2 3.06Å; Q27-D31 PolarHBondContact O-N 3.4Å; A28-D31 PolarHBondContact O-N 3.24Å; D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 3.26Å; D31-A34 WeakPolarHBondContact O-CA 3.38Å; D31-A34 VanDerWaalsContact O-CB 3.22Å; D31-A34 WeakPolarHBondContact O-CB 3.39Å; D31-A34 PolarHBondContact O-N 2.89Å; D31-F35 WeakPolarHBondContact O-CD2 3.45Å; D31-F35 PolarHBondContact O-N 2.94Å; D31-P86 WeakPolarHBondContact OD1-CA 3.31Å; D31-T87 PolarHBondContact OD1-N 2.82Å; D31-T87 PolarHBondContact OD1-OG1 3.38Å; D31-M104 HydrophobicContact CB-CE 3.41Å; D31-M104 VanDerWaalsContact CB-CE 3.41Å; D31-M104 HydrophobicContact CB-SD 4.19Å
32	Y	98.7	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-27.9	177.6	-79.4	-49.5	0	0	0	114.3	A28 A34 F35 F36 F53 A56 E60 A101 M104 E105 F146	A28-Y32 PolarHBondContact O-N 2.92Å; Y32-A34 PolarHBondContact O-N 3.05Å; Y32-F35 HydrophobicContact CD1-CD1 4.39Å; Y32-F35 HydrophobicContact CD1-CD2 4.29Å; Y32-F35 HydrophobicContact CD1-CG 4.2Å; Y32-F35 HydrophobicContact CE1-CE1 4.48Å; Y32-F35 WeakPolarHBondContact O-CB 3.44Å; Y32-F35 PolarHBondContact O-N 3.24Å; Y32-F36 PolarHBondContact O-N 3.43Å; Y32-F53 AromaticContact CD1-CD1 3.54Å; Y32-F53 HydrophobicContact CD1-CD1 3.54Å; Y32-F53 HydrophobicContact CD1-CE1 4.13Å; Y32-F53 HydrophobicContact CD1-CG 4.49Å; Y32-F53 AromaticContact CE1-CD1 3.7Å; Y32-F53 HydrophobicContact CE1-CD1 3.7Å; Y32-F53 AromaticContact CE1-CE1 3.84Å; Y32-F53 HydrophobicContact CE1-CE1 3.84Å; Y32-A56 HydrophobicContact CD1-CB 4.22Å; Y32-A56 HydrophobicContact CD2-CB 3.9Å; Y32-A56 HydrophobicContact CE1-CB 4.45Å; Y32-A56 HydrophobicContact CE2-CB 4.13Å; Y32-A56 HydrophobicContact CG-CB 3.95Å; Y32-E60 HydrophobicContact CD2-CG 3.82Å; Y32-E60 HydrophobicContact CE2-CG 4.02Å; Y32-A101 HydrophobicContact CE1-CB 3.91Å; Y32-M104 HydrophobicContact CD1-CE 4.21Å; Y32-M104 HydrophobicContact CD2-CE 4.13Å; Y32-M104 HydrophobicContact CE1-CE 4.05Å; Y32-M104 HydrophobicContact CE2-CE 3.98Å; Y32-M104 HydrophobicContact CG-CE 4.24Å; Y32-E105 WeakPolarHBondContact CE2-OE1 3.47Å; Y32-E105 PolarHBondContact OH-OE1 3.16Å; Y32-F146 HydrophobicContact CE1-CZ 4.39Å
33	M	98.7	Very high	98.6	Very high	71 Å²	71	45.1 Å²	45.1	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-38.1	169.8	-172.2	67.8	66.1	0	0	111.1	A29 Y30 D31 F36 T37	A29-M33 PolarHBondContact O-N 3.14Å; A29-M33 VanDerWaalsContact O-N 3.1Å; Y30-M33 HydrophobicContact CD2-CB 4.41Å; Y30-M33 WeakPolarHBondContact O-CB 3.3Å; Y30-M33 PolarHBondContact O-N 3.28Å; D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 3.26Å; M33-F36 PolarHBondContact O-N 3.25Å; M33-F36 HydrophobicContact SD-CD1 3.81Å; M33-F36 HydrophobicContact SD-CE1 4.37Å; M33-T37 WeakPolarHBondContact O-CG2 3.32Å; M33-T37 PolarHBondContact O-N 3.39Å; M33-T37 PolarHBondContact O-OG1 2.96Å
34	A	98.7	Very high	98.5	Very high	8 Å²	8	44.9 Å²	44.9	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-40	175.9	0	0	0	0	0	111.9	Y30 D31 Y32 T37 Y38 P86 T89	Y30-A34 PolarHBondContact O-N 3.35Å; D31-A34 WeakPolarHBondContact O-CA 3.38Å; D31-A34 VanDerWaalsContact O-CB 3.22Å; D31-A34 WeakPolarHBondContact O-CB 3.39Å; D31-A34 PolarHBondContact O-N 2.89Å; Y32-A34 PolarHBondContact O-N 3.05Å; A34-T37 PolarHBondContact O-N 3.44Å; A34-T37 PolarHBondContact O-OG1 3.38Å; A34-T37 VanDerWaalsContact O-OG1 3.12Å; A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 2.89Å; A34-P86 HydrophobicContact CB-CB 3.7Å; A34-P86 HydrophobicContact CB-CG 3.91Å; A34-T89 HydrophobicContact CB-CG2 4.16Å
35	F	98.7	Very high	98.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-50.3	175	-73.2	-126.8	0	0	0	110.6	D31 Y32 T37 Y38 F39 F53 F91 A97 T100 A101 M104	D31-F35 WeakPolarHBondContact O-CD2 3.45Å; D31-F35 PolarHBondContact O-N 2.94Å; Y32-F35 HydrophobicContact CD1-CD1 4.39Å; Y32-F35 HydrophobicContact CD1-CD2 4.29Å; Y32-F35 HydrophobicContact CD1-CG 4.2Å; Y32-F35 HydrophobicContact CE1-CE1 4.48Å; Y32-F35 WeakPolarHBondContact O-CB 3.44Å; Y32-F35 PolarHBondContact O-N 3.24Å; F35-T37 PolarHBondContact O-N 2.65Å; F35-Y38 PolarHBondContact O-N 3.43Å; F35-F39 WeakPolarHBondContact O-CD2 3.5Å; F35-F39 PolarHBondContact O-N 3.04Å; F35-F39 VanDerWaalsContact O-N 3.09Å; F35-F53 HydrophobicContact CB-CB 3.68Å; F35-F53 HydrophobicContact CB-CD1 3.99Å; F35-F53 HydrophobicContact CB-CD2 3.88Å; F35-F53 HydrophobicContact CB-CG 3.58Å; F35-F53 AromaticContact CD1-CD1 3.79Å; F35-F53 HydrophobicContact CD1-CD1 3.79Å; F35-F53 HydrophobicContact CD1-CD2 4.14Å; F35-F53 AromaticContact CD1-CE1 3.6Å; F35-F53 HydrophobicContact CD1-CE1 3.6Å; F35-F53 AromaticContact CD1-CE2 3.99Å; F35-F53 HydrophobicContact CD1-CE2 3.99Å; F35-F53 HydrophobicContact CD1-CG 4.06Å; F35-F53 AromaticContact CD1-CZ 3.71Å; F35-F53 HydrophobicContact CD1-CZ 3.71Å; F35-F53 HydrophobicContact CE1-CE1 4.11Å; F35-F53 HydrophobicContact CE1-CZ 4.27Å; F35-F53 HydrophobicContact CG-CD1 4.19Å; F35-F53 HydrophobicContact CG-CE1 4.45Å; F35-F53 HydrophobicContact CG-CG 4.24Å; F35-F91 HydrophobicContact CB-CE2 4.45Å; F35-F91 HydrophobicContact CB-CZ 4.41Å; F35-F91 AromaticContact CD1-CE1 3.89Å; F35-F91 HydrophobicContact CD1-CE1 3.89Å; F35-F91 HydrophobicContact CD1-CE2 4.32Å; F35-F91 AromaticContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD2-CE1 4.24Å; F35-F91 HydrophobicContact CD2-CE2 4.13Å; F35-F91 AromaticContact CD2-CZ 3.41Å; F35-F91 HydrophobicContact CD2-CZ 3.41Å; F35-F91 VanDerWaalsContact CD2-CZ 3.41Å; F35-F91 AromaticContact CE1-CE1 3.55Å; F35-F91 HydrophobicContact CE1-CE1 3.55Å; F35-F91 AromaticContact CE1-CZ 3.7Å; F35-F91 HydrophobicContact CE1-CZ 3.7Å; F35-F91 AromaticContact CE2-CE1 3.96Å; F35-F91 HydrophobicContact CE2-CE1 3.96Å; F35-F91 AromaticContact CE2-CZ 3.48Å; F35-F91 HydrophobicContact CE2-CZ 3.48Å; F35-F91 VanDerWaalsContact CE2-CZ 3.48Å; F35-F91 HydrophobicContact CG-CE1 4.23Å; F35-F91 HydrophobicContact CG-CE2 4.01Å; F35-F91 AromaticContact CG-CZ 3.52Å; F35-F91 HydrophobicContact CG-CZ 3.52Å; F35-F91 AromaticContact CZ-CE1 3.61Å; F35-F91 HydrophobicContact CZ-CE1 3.61Å; F35-F91 AromaticContact CZ-CZ 3.63Å; F35-F91 HydrophobicContact CZ-CZ 3.63Å; F35-A97 HydrophobicContact CD1-CB 4.18Å; F35-A97 HydrophobicContact CE1-CB 4.21Å; F35-T100 HydrophobicContact CE1-CG2 4.47Å; F35-T100 HydrophobicContact CE2-CG2 4.43Å; F35-T100 HydrophobicContact CZ-CG2 3.65Å; F35-A101 HydrophobicContact CE1-CB 4.11Å; F35-M104 HydrophobicContact CE2-CE 4.46Å; F35-M104 HydrophobicContact CE2-SD 3.72Å; F35-M104 HydrophobicContact CZ-SD 3.61Å
36	F	98.6	Very high	98.4	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-53	-57.3	176.3	160.7	-135.6	0	0	0	111	Y32 M33 Y38 F39 D40 A50 F53 R54	Y32-F36 PolarHBondContact O-N 3.43Å; M33-F36 PolarHBondContact O-N 3.25Å; M33-F36 HydrophobicContact SD-CD1 3.81Å; M33-F36 HydrophobicContact SD-CE1 4.37Å; F36-Y38 PolarHBondContact O-N 2.92Å; F36-F39 PolarHBondContact O-N 3.18Å; F36-D40 HydrophobicContact CD2-CB 4.38Å; F36-D40 HydrophobicContact CE2-CB 3.99Å; F36-D40 PolarHBondContact O-N 2.9Å; F36-D40 VanDerWaalsContact O-N 3.08Å; F36-A50 HydrophobicContact CD2-CB 3.91Å; F36-A50 WeakPolarHBondContact CD2-O 3.34Å; F36-A50 HydrophobicContact CE2-CB 4.24Å; F36-F53 HydrophobicContact CB-CB 4.39Å; F36-R54 HydrophobicContact CB-CB 4.12Å; F36-R54 HydrophobicContact CD1-CB 4.04Å; F36-R54 HydrophobicContact CD1-CG 4.05Å; F36-R54 HydrophobicContact CD2-CB 3.94Å; F36-R54 HydrophobicContact CE1-CG 4.19Å; F36-R54 HydrophobicContact CE2-CB 4.42Å; F36-R54 HydrophobicContact CG-CB 3.75Å; F36-R54 HydrophobicContact CG-CG 4.27Å
37	T	98.7	Very high	98.3	Very high	77 Å²	77	49.3 Å²	49.3	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-26.9	-175.3	57.8	0	0	0	0	113.3	M33 A34 F35 R41	M33-T37 WeakPolarHBondContact O-CG2 3.32Å; M33-T37 PolarHBondContact O-N 3.39Å; M33-T37 PolarHBondContact O-OG1 2.96Å; A34-T37 PolarHBondContact O-N 3.44Å; A34-T37 PolarHBondContact O-OG1 3.38Å; A34-T37 VanDerWaalsContact O-OG1 3.12Å; F35-T37 PolarHBondContact O-N 2.65Å; T37-R41 WeakPolarHBondContact O-CG 3.23Å
38	Y	98.8	Very high	98.3	Very high	31 Å²	31	51.7 Å²	51.7	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-49.5	173.8	173.5	-96	0	0	0	111.5	A34 F35 F36 D40 R41 V44 T89 E90 F91	A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 2.89Å; F35-Y38 PolarHBondContact O-N 3.43Å; F36-Y38 PolarHBondContact O-N 2.92Å; Y38-D40 VanDerWaalsContact C-N 3.27Å; Y38-D40 PolarHBondContact O-N 3.09Å; Y38-R41 WeakPolarHBondContact O-CB 3.32Å; Y38-R41 WeakPolarHBondContact O-CD 3.39Å; Y38-R41 WeakPolarHBondContact O-CG 3.28Å; Y38-R41 PolarHBondContact O-N 2.94Å; Y38-V44 HydrophobicContact CD1-CG1 4.19Å; Y38-V44 HydrophobicContact CD2-CG2 4.42Å; Y38-V44 HydrophobicContact CE1-CB 4.47Å; Y38-V44 HydrophobicContact CE1-CG1 3.6Å; Y38-V44 HydrophobicContact CE1-CG2 4.06Å; Y38-V44 HydrophobicContact CE2-CG2 3.78Å; Y38-T89 WeakPolarHBondContact CD2-O 3.46Å; Y38-E90 WeakPolarHBondContact CE2-OE2 3.36Å; Y38-F91 HydrophobicContact CD1-CB 4.11Å; Y38-F91 AromaticContact CD1-CD2 3.41Å; Y38-F91 HydrophobicContact CD1-CD2 3.41Å; Y38-F91 VanDerWaalsContact CD1-CD2 3.41Å; Y38-F91 HydrophobicContact CD1-CE2 4.29Å; Y38-F91 HydrophobicContact CD1-CG 4.2Å; Y38-F91 HydrophobicContact CD2-CD2 4.33Å; Y38-F91 HydrophobicContact CE1-CB 3.7Å; Y38-F91 AromaticContact CE1-CD2 3.91Å; Y38-F91 HydrophobicContact CE1-CD2 3.91Å; Y38-F91 HydrophobicContact CE1-CG 4.29Å; Y38-F91 AromaticContact CG-CD2 3.66Å; Y38-F91 HydrophobicContact CG-CD2 3.66Å; Y38-F91 HydrophobicContact CG-CE2 4.26Å; Y38-F91 PolarHBondContact OH-O 2.69Å
39	F	98.6	Very high	98.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-18.9	-176.8	-73.7	-59.5	0	0	0	114.2	F35 F36 R41 V44 F46 A49 A50 F53 F91 L94 A97	F35-F39 WeakPolarHBondContact O-CD2 3.5Å; F35-F39 PolarHBondContact O-N 3.04Å; F35-F39 VanDerWaalsContact O-N 3.09Å; F36-F39 PolarHBondContact O-N 3.18Å; F39-R41 VanDerWaalsContact C-N 3.33Å; F39-V44 HydrophobicContact CD1-CG1 3.83Å; F39-V44 HydrophobicContact CE1-CG1 4.37Å; F39-F46 HydrophobicContact CB-CB 4.34Å; F39-F46 HydrophobicContact CD1-CB 3.82Å; F39-F46 AromaticContact CD1-CD2 3.75Å; F39-F46 HydrophobicContact CD1-CD2 3.75Å; F39-F46 HydrophobicContact CD1-CG 4.22Å; F39-F46 AromaticContact CE1-CD2 3.94Å; F39-F46 HydrophobicContact CE1-CD2 3.94Å; F39-F46 HydrophobicContact CG-CB 4.39Å; F39-F46 PolarHBondContact O-N 3.42Å; F39-F46 VanDerWaalsContact O-N 3.1Å; F39-A49 HydrophobicContact CB-CB 4.25Å; F39-A49 HydrophobicContact CD1-CB 4.31Å; F39-A49 HydrophobicContact CD2-CB 4.13Å; F39-A49 HydrophobicContact CG-CB 3.97Å; F39-A50 HydrophobicContact CB-CB 3.97Å; F39-F53 AromaticContact CD2-CD2 3.7Å; F39-F53 HydrophobicContact CD2-CD2 3.7Å; F39-F53 AromaticContact CD2-CE2 3.92Å; F39-F53 HydrophobicContact CD2-CE2 3.92Å; F39-F53 AromaticContact CE2-CD2 3.84Å; F39-F53 HydrophobicContact CE2-CD2 3.84Å; F39-F53 AromaticContact CE2-CE2 3.58Å; F39-F53 HydrophobicContact CE2-CE2 3.58Å; F39-F91 HydrophobicContact CE2-CD2 4.49Å; F39-F91 HydrophobicContact CZ-CB 4.34Å; F39-F91 HydrophobicContact CZ-CG 4.44Å; F39-L94 HydrophobicContact CD1-CD2 4.2Å; F39-L94 HydrophobicContact CE1-CD2 3.57Å; F39-L94 HydrophobicContact CE1-CG 4.47Å; F39-L94 HydrophobicContact CE2-CD2 4.48Å; F39-L94 HydrophobicContact CZ-CD2 3.74Å; F39-A97 HydrophobicContact CE2-CB 3.59Å; F39-A97 HydrophobicContact CZ-CB 3.46Å; F39-A97 VanDerWaalsContact CZ-CB 3.46Å
40	D	98.4	Very high	98.3	Very high	102 Å²	102	51 Å²	51	55%	0.545	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.3	175.9	-162.3	50.5	0	0	0	114	F36 Y38 A50	F36-D40 HydrophobicContact CD2-CB 4.38Å; F36-D40 HydrophobicContact CE2-CB 3.99Å; F36-D40 PolarHBondContact O-N 2.9Å; F36-D40 VanDerWaalsContact O-N 3.08Å; Y38-D40 VanDerWaalsContact C-N 3.27Å; Y38-D40 PolarHBondContact O-N 3.09Å; D40-A50 HydrophobicContact CB-CB 4.1Å
41	R	98.7	Very high	98.3	Very high	83 Å²	83	49.3 Å²	49.3	31%	0.313	26%	0.258	S	S	.	.	S	Bend	trans	-67.9	147	179.5	-65.4	164.4	54.5	166.5	-4.1	112	T37 Y38 F39 D43 V44 S45 E90	T37-R41 WeakPolarHBondContact O-CG 3.23Å; Y38-R41 WeakPolarHBondContact O-CB 3.32Å; Y38-R41 WeakPolarHBondContact O-CD 3.39Å; Y38-R41 WeakPolarHBondContact O-CG 3.28Å; Y38-R41 PolarHBondContact O-N 2.94Å; F39-R41 VanDerWaalsContact C-N 3.33Å; R41-D43 VanDerWaalsContact C-N 3.28Å; R41-D43 WeakPolarHBondContact CB-OD1 3.31Å; R41-D43 IonicContact CZ-OD1 3.45Å; R41-D43 IonicContact CZ-OD2 3.76Å; R41-D43 IonicContact NE-OD1 3.83Å; R41-D43 PolarHBondContact NE-OD1 3.27Å; R41-D43 IonicContact NE-OD2 3.71Å; R41-D43 IonicContact NH2-OD1 2.74Å; R41-D43 PolarHBondContact NH2-OD1 3.5Å; R41-D43 IonicContact NH2-OD2 3.12Å; R41-D43 PolarHBondContact NH2-OD2 3.36Å; R41-D43 PolarHBondContact O-N 3.14Å; R41-V44 HydrophobicContact CB-CB 4.35Å; R41-V44 HydrophobicContact CB-CG2 4.18Å; R41-V44 PolarHBondContact O-N 3Å; R41-S45 WeakPolarHBondContact O-CA 3.42Å; R41-S45 PolarHBondContact O-N 3.12Å; R41-E90 IonicContact NH1-OE1 3.68Å; R41-E90 PolarHBondContact NH1-OE1 3.32Å; R41-E90 IonicContact NH1-OE2 2.83Å; R41-E90 PolarHBondContact NH1-OE2 3.15Å
42	D	97.9	Very high	98.3	Very high	156 Å²	156	49.9 Å²	49.9	83%	0.834	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.1	179	67.5	-77.6	0	0	0	113.4	V44	D42-V44 VanDerWaalsContact C-N 3.31Å
43	D	97.6	Very high	98.3	Very high	104 Å²	104	49.9 Å²	49.9	56%	0.556	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.4	178.5	67.9	-26.2	0	0	0	114.1	R41	R41-D43 VanDerWaalsContact C-N 3.28Å; R41-D43 WeakPolarHBondContact CB-OD1 3.31Å; R41-D43 IonicContact CZ-OD1 3.45Å; R41-D43 IonicContact CZ-OD2 3.76Å; R41-D43 IonicContact NE-OD1 3.83Å; R41-D43 PolarHBondContact NE-OD1 3.27Å; R41-D43 IonicContact NE-OD2 3.71Å; R41-D43 IonicContact NH2-OD1 2.74Å; R41-D43 PolarHBondContact NH2-OD1 3.5Å; R41-D43 IonicContact NH2-OD2 3.12Å; R41-D43 PolarHBondContact NH2-OD2 3.36Å; R41-D43 PolarHBondContact O-N 3.14Å
44	V	97.2	Very high	98.2	Very high	26 Å²	26	51.4 Å²	51.4	16%	0.158	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-56.2	175.9	179.7	0	0	0	0	110.4	Y38 F39 R41 D42 F46	Y38-V44 HydrophobicContact CD1-CG1 4.19Å; Y38-V44 HydrophobicContact CD2-CG2 4.42Å; Y38-V44 HydrophobicContact CE1-CB 4.47Å; Y38-V44 HydrophobicContact CE1-CG1 3.6Å; Y38-V44 HydrophobicContact CE1-CG2 4.06Å; Y38-V44 HydrophobicContact CE2-CG2 3.78Å; F39-V44 HydrophobicContact CD1-CG1 3.83Å; F39-V44 HydrophobicContact CE1-CG1 4.37Å; R41-V44 HydrophobicContact CB-CB 4.35Å; R41-V44 HydrophobicContact CB-CG2 4.18Å; R41-V44 PolarHBondContact O-N 3Å; D42-V44 VanDerWaalsContact C-N 3.31Å; V44-F46 HydrophobicContact CG1-CD2 3.81Å; V44-F46 HydrophobicContact CG1-CE2 4.33Å
45	S	96.4	Very high	98.2	Very high	74 Å²	74	55 Å²	55	52%	0.517	28%	0.277	S	S	.	.			trans	55.4	63.4	171.4	-154.7	0	0	0	0	116.4	R41 P47	R41-S45 WeakPolarHBondContact O-CA 3.42Å; R41-S45 PolarHBondContact O-N 3.12Å; S45-P47 WeakPolarHBondContact O-CD 3.32Å
46	F	98	Very high	98.2	Very high	31 Å²	31	55.4 Å²	55.4	14%	0.136	28%	0.28	C	S	.	.			trans	-118.4	76.8	167.3	-69.4	-68.7	0	0	0	110.1	F39 V44 K48 A49 A50 L94 E162 D166	F39-F46 HydrophobicContact CB-CB 4.34Å; F39-F46 HydrophobicContact CD1-CB 3.82Å; F39-F46 AromaticContact CD1-CD2 3.75Å; F39-F46 HydrophobicContact CD1-CD2 3.75Å; F39-F46 HydrophobicContact CD1-CG 4.22Å; F39-F46 AromaticContact CE1-CD2 3.94Å; F39-F46 HydrophobicContact CE1-CD2 3.94Å; F39-F46 HydrophobicContact CG-CB 4.39Å; F39-F46 PolarHBondContact O-N 3.42Å; F39-F46 VanDerWaalsContact O-N 3.1Å; V44-F46 HydrophobicContact CG1-CD2 3.81Å; V44-F46 HydrophobicContact CG1-CE2 4.33Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.3Å; F46-A49 HydrophobicContact CB-CB 3.83Å; F46-A49 PolarHBondContact O-N 3.27Å; F46-A50 PolarHBondContact O-N 3.28Å; F46-L94 HydrophobicContact CB-CD2 4.4Å; F46-L94 HydrophobicContact CD1-CD1 3.97Å; F46-L94 HydrophobicContact CD1-CG 4.44Å; F46-L94 HydrophobicContact CD2-CD2 4.3Å; F46-L94 HydrophobicContact CD2-CG 4.37Å; F46-L94 HydrophobicContact CE1-CD1 3.95Å; F46-L94 HydrophobicContact CE1-CG 4.42Å; F46-L94 HydrophobicContact CE2-CG 4.38Å; F46-L94 HydrophobicContact CG-CD1 4.37Å; F46-L94 HydrophobicContact CG-CD2 4.21Å; F46-L94 HydrophobicContact CG-CG 4.4Å; F46-L94 HydrophobicContact CZ-CD1 4.36Å; F46-L94 HydrophobicContact CZ-CG 4.39Å; F46-E162 HydrophobicContact CE1-CB 4.02Å; F46-E162 HydrophobicContact CZ-CB 3.96Å; F46-D166 WeakPolarHBondContact CA-OD1 3.42Å; F46-D166 WeakPolarHBondContact CB-OD1 3.33Å; F46-D166 HydrophobicContact CD1-CB 3.69Å; F46-D166 HydrophobicContact CE1-CB 4.41Å
47	P	97.4	Very high	98.2	Very high	62 Å²	62	53.9 Å²	53.9	40%	0.403	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-23.3	-168.2	27.1	-36.7	0	0	0	113.9	S45 E51 K167	S45-P47 WeakPolarHBondContact O-CD 3.32Å; P47-E51 PolarHBondContact O-N 2.9Å; P47-K167 VanDerWaalsContact CG-NZ 3.3Å
48	K	98.4	Very high	98.2	Very high	81 Å²	81	53 Å²	53	35%	0.352	27%	0.265	S	S	.	.	H	α-helix	trans	-80.5	-38.9	175.7	-63.4	-68.1	-171.7	154.9	0	110.7	F46 A50 E51 F52 D166 L170 N171	F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.3Å; K48-A50 VanDerWaalsContact C-N 3.31Å; K48-A50 PolarHBondContact O-N 3.42Å; K48-E51 PolarHBondContact O-N 2.85Å; K48-F52 VanDerWaalsContact O-CB 3.25Å; K48-F52 WeakPolarHBondContact O-CB 3.45Å; K48-F52 PolarHBondContact O-N 3.26Å; K48-D166 WeakPolarHBondContact CA-OD1 3.44Å; K48-D166 WeakPolarHBondContact CB-O 3.34Å; K48-D166 WeakPolarHBondContact CB-OD1 3.5Å; K48-D166 VanDerWaalsContact CG-O 3.23Å; K48-D166 WeakPolarHBondContact CG-O 3.43Å; K48-D166 PolarHBondContact N-OD1 3.16Å; K48-L170 HydrophobicContact CB-CB 3.98Å; K48-N171 WeakPolarHBondContact CE-OD1 3.4Å; K48-N171 PolarHBondContact NZ-OD1 2.9Å
49	A	98.5	Very high	98.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-41.5	168.3	0	0	0	0	0	112.3	F39 F46 F52 F53 L94 D166 L170	F39-A49 HydrophobicContact CB-CB 4.25Å; F39-A49 HydrophobicContact CD1-CB 4.31Å; F39-A49 HydrophobicContact CD2-CB 4.13Å; F39-A49 HydrophobicContact CG-CB 3.97Å; F46-A49 HydrophobicContact CB-CB 3.83Å; F46-A49 PolarHBondContact O-N 3.27Å; A49-F52 PolarHBondContact O-N 3Å; A49-F53 WeakPolarHBondContact O-CD2 3.35Å; A49-F53 PolarHBondContact O-N 2.85Å; A49-L94 HydrophobicContact CB-CD2 3.67Å; A49-D166 PolarHBondContact N-OD1 3.05Å; A49-L170 HydrophobicContact CB-CD1 3.67Å
50	A	98.5	Very high	98.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-52.8	175.5	0	0	0	0	0	111.3	F36 F39 D40 F46 K48 F52 F53 R54	F36-A50 HydrophobicContact CD2-CB 3.91Å; F36-A50 WeakPolarHBondContact CD2-O 3.34Å; F36-A50 HydrophobicContact CE2-CB 4.24Å; F39-A50 HydrophobicContact CB-CB 3.97Å; D40-A50 HydrophobicContact CB-CB 4.1Å; F46-A50 PolarHBondContact O-N 3.28Å; K48-A50 VanDerWaalsContact C-N 3.31Å; K48-A50 PolarHBondContact O-N 3.42Å; A50-F52 PolarHBondContact O-N 3.36Å; A50-F53 PolarHBondContact O-N 3.46Å; A50-R54 WeakPolarHBondContact O-CB 3.41Å; A50-R54 PolarHBondContact O-N 3.12Å
51	E	98.4	Very high	98.2	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-37.1	179.1	-174.6	61	-161	0	0	112.5	P47 K48 R54 K55	P47-E51 PolarHBondContact O-N 2.9Å; K48-E51 PolarHBondContact O-N 2.85Å; E51-R54 WeakPolarHBondContact O-CB 3.47Å; E51-R54 PolarHBondContact O-N 2.82Å; E51-R54 IonicContact OE2-NH1 2.78Å; E51-R54 PolarHBondContact OE2-NH1 3.12Å; E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 3.16Å
52	F	98.5	Very high	98.2	Very high	23 Å²	23	59 Å²	59	10%	0.101	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-52.4	174.9	176.1	-93.7	0	0	0	111.6	K48 A49 A50 R54 K55 A56 F146 Y149 L170	K48-F52 VanDerWaalsContact O-CB 3.25Å; K48-F52 WeakPolarHBondContact O-CB 3.45Å; K48-F52 PolarHBondContact O-N 3.26Å; A49-F52 PolarHBondContact O-N 3Å; A50-F52 PolarHBondContact O-N 3.36Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 3.5Å; F52-K55 WeakPolarHBondContact O-CB 3.46Å; F52-K55 PolarHBondContact O-N 2.98Å; F52-K55 VanDerWaalsContact O-N 3.16Å; F52-A56 PolarHBondContact O-N 2.93Å; F52-F146 AromaticContact CE1-CE1 3.68Å; F52-F146 HydrophobicContact CE1-CE1 3.68Å; F52-F146 AromaticContact CE1-CZ 3.71Å; F52-F146 HydrophobicContact CE1-CZ 3.71Å; F52-F146 HydrophobicContact CZ-CE1 4.08Å; F52-F146 AromaticContact CZ-CZ 3.94Å; F52-F146 HydrophobicContact CZ-CZ 3.94Å; F52-Y149 HydrophobicContact CE2-CE2 4.03Å; F52-Y149 HydrophobicContact CZ-CD2 4.47Å; F52-Y149 AromaticContact CZ-CE2 3.91Å; F52-Y149 HydrophobicContact CZ-CE2 3.91Å; F52-L170 HydrophobicContact CD1-CD2 4.5Å; F52-L170 HydrophobicContact CD2-CD2 4.23Å; F52-L170 HydrophobicContact CG-CD2 4.2Å
53	F	98.5	Very high	98.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-23.1	179.3	-71.3	-61.5	0	0	0	113.4	Y32 F35 F36 F39 A49 A50 S57 A97 M98 A101 F146	Y32-F53 AromaticContact CD1-CD1 3.54Å; Y32-F53 HydrophobicContact CD1-CD1 3.54Å; Y32-F53 HydrophobicContact CD1-CE1 4.13Å; Y32-F53 HydrophobicContact CD1-CG 4.49Å; Y32-F53 AromaticContact CE1-CD1 3.7Å; Y32-F53 HydrophobicContact CE1-CD1 3.7Å; Y32-F53 AromaticContact CE1-CE1 3.84Å; Y32-F53 HydrophobicContact CE1-CE1 3.84Å; F35-F53 HydrophobicContact CB-CB 3.68Å; F35-F53 HydrophobicContact CB-CD1 3.99Å; F35-F53 HydrophobicContact CB-CD2 3.88Å; F35-F53 HydrophobicContact CB-CG 3.58Å; F35-F53 AromaticContact CD1-CD1 3.79Å; F35-F53 HydrophobicContact CD1-CD1 3.79Å; F35-F53 HydrophobicContact CD1-CD2 4.14Å; F35-F53 AromaticContact CD1-CE1 3.6Å; F35-F53 HydrophobicContact CD1-CE1 3.6Å; F35-F53 AromaticContact CD1-CE2 3.99Å; F35-F53 HydrophobicContact CD1-CE2 3.99Å; F35-F53 HydrophobicContact CD1-CG 4.06Å; F35-F53 AromaticContact CD1-CZ 3.71Å; F35-F53 HydrophobicContact CD1-CZ 3.71Å; F35-F53 HydrophobicContact CE1-CE1 4.11Å; F35-F53 HydrophobicContact CE1-CZ 4.27Å; F35-F53 HydrophobicContact CG-CD1 4.19Å; F35-F53 HydrophobicContact CG-CE1 4.45Å; F35-F53 HydrophobicContact CG-CG 4.24Å; F36-F53 HydrophobicContact CB-CB 4.39Å; F39-F53 AromaticContact CD2-CD2 3.7Å; F39-F53 HydrophobicContact CD2-CD2 3.7Å; F39-F53 AromaticContact CD2-CE2 3.92Å; F39-F53 HydrophobicContact CD2-CE2 3.92Å; F39-F53 AromaticContact CE2-CD2 3.84Å; F39-F53 HydrophobicContact CE2-CD2 3.84Å; F39-F53 AromaticContact CE2-CE2 3.58Å; F39-F53 HydrophobicContact CE2-CE2 3.58Å; A49-F53 WeakPolarHBondContact O-CD2 3.35Å; A49-F53 PolarHBondContact O-N 2.85Å; A50-F53 PolarHBondContact O-N 3.46Å; F53-S57 WeakPolarHBondContact O-CB 3.43Å; F53-S57 PolarHBondContact O-N 3.4Å; F53-A97 HydrophobicContact CE2-CB 4.27Å; F53-A97 HydrophobicContact CZ-CB 4.24Å; F53-M98 HydrophobicContact CE2-CE 4.01Å; F53-M98 HydrophobicContact CZ-CE 3.76Å; F53-M98 HydrophobicContact CZ-SD 4.13Å; F53-A101 HydrophobicContact CE1-CB 4.1Å; F53-F146 AromaticContact CE1-CE1 3.86Å; F53-F146 HydrophobicContact CE1-CE1 3.86Å; F53-F146 HydrophobicContact CE1-CZ 4.16Å; F53-F146 HydrophobicContact CZ-CE1 4.34Å
54	R	98.7	Very high	98.3	Very high	102 Å²	102	47 Å²	47	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-44.2	168.9	-175.8	-171.2	170.4	-170.5	2.3	111.2	F36 A50 E51 F52 S57 H58	F36-R54 HydrophobicContact CB-CB 4.12Å; F36-R54 HydrophobicContact CD1-CB 4.04Å; F36-R54 HydrophobicContact CD1-CG 4.05Å; F36-R54 HydrophobicContact CD2-CB 3.94Å; F36-R54 HydrophobicContact CE1-CG 4.19Å; F36-R54 HydrophobicContact CE2-CB 4.42Å; F36-R54 HydrophobicContact CG-CB 3.75Å; F36-R54 HydrophobicContact CG-CG 4.27Å; A50-R54 WeakPolarHBondContact O-CB 3.41Å; A50-R54 PolarHBondContact O-N 3.12Å; E51-R54 WeakPolarHBondContact O-CB 3.47Å; E51-R54 PolarHBondContact O-N 2.82Å; E51-R54 IonicContact OE2-NH1 2.78Å; E51-R54 PolarHBondContact OE2-NH1 3.12Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 3.5Å; R54-S57 WeakPolarHBondContact O-CB 3.48Å; R54-S57 PolarHBondContact O-N 3.46Å; R54-H58 PolarHBondContact O-CD2 3.38Å; R54-H58 PolarHBondContact O-N 3.27Å; R54-H58 VanDerWaalsContact O-N 3.09Å
55	K	98.4	Very high	98.4	Very high	84 Å²	84	50.1 Å²	50.1	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-46.9	174.4	-70.4	173.4	179	-177.3	0	110.6	E51 F52 S57 H58 E59 E172	E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 3.16Å; F52-K55 WeakPolarHBondContact O-CB 3.46Å; F52-K55 PolarHBondContact O-N 2.98Å; F52-K55 VanDerWaalsContact O-N 3.16Å; K55-S57 VanDerWaalsContact C-N 3.34Å; K55-S57 PolarHBondContact O-N 3.4Å; K55-H58 WeakPolarHBondContact O-CA 3.44Å; K55-H58 WeakPolarHBondContact O-CB 3.48Å; K55-H58 PolarHBondContact O-N 3.27Å; K55-E59 PolarHBondContact O-N 2.94Å; K55-E172 VanDerWaalsContact NZ-C 3.29Å; K55-E172 PolarHBondContact NZ-O 3.45Å; K55-E172 PolarHBondContact NZ-OXT 2.84Å
56	A	98.4	Very high	98.5	Very high	9 Å²	9	49.3 Å²	49.3	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-44.8	174.9	0	0	0	0	0	112.3	Y32 F52 H58 E59 E60	Y32-A56 HydrophobicContact CD1-CB 4.22Å; Y32-A56 HydrophobicContact CD2-CB 3.9Å; Y32-A56 HydrophobicContact CE1-CB 4.45Å; Y32-A56 HydrophobicContact CE2-CB 4.13Å; Y32-A56 HydrophobicContact CG-CB 3.95Å; F52-A56 PolarHBondContact O-N 2.93Å; A56-H58 VanDerWaalsContact C-N 3.26Å; A56-H58 PolarHBondContact O-N 3.28Å; A56-E59 WeakPolarHBondContact O-CB 3.24Å; A56-E59 PolarHBondContact O-N 3.12Å; A56-E60 WeakPolarHBondContact O-CG 3.42Å; A56-E60 PolarHBondContact O-N 3.2Å
57	S	98.7	Very high	98.6	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-37	174.4	-179.9	0	0	0	0	113	A29 F53 R54 K55 R61	A29-S57 WeakPolarHBondContact CB-O 3.38Å; A29-S57 WeakPolarHBondContact O-CB 3.46Å; A29-S57 PolarHBondContact O-OG 2.78Å; F53-S57 WeakPolarHBondContact O-CB 3.43Å; F53-S57 PolarHBondContact O-N 3.4Å; R54-S57 WeakPolarHBondContact O-CB 3.48Å; R54-S57 PolarHBondContact O-N 3.46Å; K55-S57 VanDerWaalsContact C-N 3.34Å; K55-S57 PolarHBondContact O-N 3.4Å; S57-R61 PolarHBondContact O-N 2.87Å
58	H	98.7	Very high	98.6	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.278	20%	0.204	S	C	.	.	H	α-helix	trans	-71.5	-42.5	176	-72	-45.9	0	0	0	112.3	R54 K55 A56 R61 E62	R54-H58 PolarHBondContact O-CD2 3.38Å; R54-H58 PolarHBondContact O-N 3.27Å; R54-H58 VanDerWaalsContact O-N 3.09Å; K55-H58 WeakPolarHBondContact O-CA 3.44Å; K55-H58 WeakPolarHBondContact O-CB 3.48Å; K55-H58 PolarHBondContact O-N 3.27Å; A56-H58 VanDerWaalsContact C-N 3.26Å; A56-H58 PolarHBondContact O-N 3.28Å; H58-R61 PolarHBondContact ND1-NH2 3.4Å; H58-R61 WeakPolarHBondContact O-CB 3.45Å; H58-R61 PolarHBondContact O-N 2.97Å; H58-E62 WeakPolarHBondContact O-CG 3.4Å; H58-E62 PolarHBondContact O-N 3.44Å
59	E	98.5	Very high	98.6	Very high	87 Å²	87	48.3 Å²	48.3	41%	0.407	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-47.6	177.7	-172.9	166.9	-160	0	0	111.7	K55 A56 R61 E62 H63	K55-E59 PolarHBondContact O-N 2.94Å; A56-E59 WeakPolarHBondContact O-CB 3.24Å; A56-E59 PolarHBondContact O-N 3.12Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 2.88Å; E59-E62 CarbonylContact O-C 3.52Å; E59-E62 WeakPolarHBondContact O-CA 3.46Å; E59-E62 WeakPolarHBondContact O-CB 3.46Å; E59-E62 PolarHBondContact O-N 3.2Å; E59-H63 PolarHBondContact O-N 2.92Å
60	E	98.7	Very high	98.6	Very high	6 Å²	6	49 Å²	49	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-32.6	176.3	-60.9	-55.5	175.5	0	0	113.1	E25 A28 A29 Y32 A56 E62 H63 A64	E25-E60 WeakPolarHBondContact CB-O 3.3Å; A28-E60 HydrophobicContact CB-CB 4.23Å; A28-E60 HydrophobicContact CB-CG 3.9Å; A29-E60 HydrophobicContact CB-CB 3.82Å; Y32-E60 HydrophobicContact CD2-CG 3.82Å; Y32-E60 HydrophobicContact CE2-CG 4.02Å; A56-E60 WeakPolarHBondContact O-CG 3.42Å; A56-E60 PolarHBondContact O-N 3.2Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-H63 WeakPolarHBondContact O-CB 3.43Å; E60-H63 PolarHBondContact O-N 3.24Å; E60-H63 IonicContact OE2-CE1 2.69Å; E60-H63 IonicContact OE2-CG 2.9Å; E60-H63 IonicContact OE2-ND1 3.64Å; E60-H63 PolarHBondContact OE2-ND1 2.85Å; E60-A64 PolarHBondContact O-N 3.05Å
61	R	98.8	Very high	98.5	Very high	122 Å²	122	48.9 Å²	48.9	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-68.3	-36.6	172.4	-171.7	175.2	63.1	170.5	0.5	111.3	A29 S57 H58 E59 H63 A64 E65	A29-R61 HydrophobicContact CB-CB 4.16Å; S57-R61 PolarHBondContact O-N 2.87Å; H58-R61 PolarHBondContact ND1-NH2 3.4Å; H58-R61 WeakPolarHBondContact O-CB 3.45Å; H58-R61 PolarHBondContact O-N 2.97Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 2.88Å; R61-H63 VanDerWaalsContact C-N 3.33Å; R61-A64 WeakPolarHBondContact O-CB 3.4Å; R61-A64 PolarHBondContact O-N 3.33Å; R61-E65 WeakPolarHBondContact O-CG 3.4Å; R61-E65 PolarHBondContact O-N 2.83Å
62	E	98.8	Very high	98.4	Very high	127 Å²	127	49.5 Å²	49.5	59%	0.593	22%	0.224	S	C	*	.	H	α-helix	trans	-65.4	-36.6	173.3	-69.4	-173.8	176.5	0	0	111.6	H58 E59 E60 E65 K66	H58-E62 WeakPolarHBondContact O-CG 3.4Å; H58-E62 PolarHBondContact O-N 3.44Å; E59-E62 CarbonylContact O-C 3.52Å; E59-E62 WeakPolarHBondContact O-CA 3.46Å; E59-E62 WeakPolarHBondContact O-CB 3.46Å; E59-E62 PolarHBondContact O-N 3.2Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E62-E65 PolarHBondContact O-N 3.33Å; E62-K66 WeakPolarHBondContact O-CB 3.41Å; E62-K66 PolarHBondContact O-N 3Å
63	H	98.7	Very high	98.3	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-48.6	170.5	-64.7	161.1	0	0	0	112	E25 E59 E60 R61 E65 K66 L67 F135 E138	E25-H63 HydrophobicContact CB-CB 4.16Å; E25-H63 HydrophobicContact CG-CB 3.83Å; E59-H63 PolarHBondContact O-N 2.92Å; E60-H63 WeakPolarHBondContact O-CB 3.43Å; E60-H63 PolarHBondContact O-N 3.24Å; E60-H63 IonicContact OE2-CE1 2.69Å; E60-H63 IonicContact OE2-CG 2.9Å; E60-H63 IonicContact OE2-ND1 3.64Å; E60-H63 PolarHBondContact OE2-ND1 2.85Å; R61-H63 VanDerWaalsContact C-N 3.33Å; H63-E65 VanDerWaalsContact C-N 3.3Å; H63-E65 PolarHBondContact O-N 3.23Å; H63-K66 WeakPolarHBondContact O-CB 3.45Å; H63-K66 PolarHBondContact O-N 3.38Å; H63-K66 VanDerWaalsContact O-N 3.16Å; H63-L67 PolarHBondContact O-N 3.19Å; H63-F135 HydrophobicContact CB-CD1 4.49Å; H63-F135 HydrophobicContact CB-CE1 3.97Å; H63-E138 IonicContact CE1-OE1 2.87Å; H63-E138 VanDerWaalsContact NE2-CD 3.29Å; H63-E138 IonicContact NE2-OE1 3.31Å; H63-E138 PolarHBondContact NE2-OE1 3.44Å; H63-E138 VanDerWaalsContact NE2-OE1 3.12Å; H63-E138 IonicContact NE2-OE2 2.84Å; H63-E138 PolarHBondContact NE2-OE2 3.12Å
64	A	98.9	Very high	98.1	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-44.3	174.8	0	0	0	0	0	112	E25 L26 E60 R61 L67 A68	E25-A64 HydrophobicContact CB-CB 3.85Å; L26-A64 HydrophobicContact CD2-CB 3.7Å; L26-A64 HydrophobicContact CG-CB 3.73Å; E60-A64 PolarHBondContact O-N 3.05Å; R61-A64 WeakPolarHBondContact O-CB 3.4Å; R61-A64 PolarHBondContact O-N 3.33Å; A64-L67 PolarHBondContact O-N 3.36Å; A64-A68 WeakPolarHBondContact O-CB 3.5Å; A64-A68 PolarHBondContact O-N 3.01Å
65	E	98.8	Very high	97.9	Very high	91 Å²	91	53.6 Å²	53.6	43%	0.425	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-39.2	177.3	-73.7	-174.3	-160.9	0	0	112.6	R61 E62 H63 A68 K69	R61-E65 WeakPolarHBondContact O-CG 3.4Å; R61-E65 PolarHBondContact O-N 2.83Å; E62-E65 PolarHBondContact O-N 3.33Å; H63-E65 VanDerWaalsContact C-N 3.3Å; H63-E65 PolarHBondContact O-N 3.23Å; E65-A68 PolarHBondContact O-N 2.95Å; E65-K69 WeakPolarHBondContact O-CB 3.39Å; E65-K69 WeakPolarHBondContact O-CG 3.19Å; E65-K69 PolarHBondContact O-N 3.3Å
66	K	98.7	Very high	97.7	Very high	57 Å²	57	49.6 Å²	49.6	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-47.2	177.3	-162.5	-169.7	-64.9	-176.1	0	110.1	E62 H63 K69 Y70 F130 E134 F135	E62-K66 WeakPolarHBondContact O-CB 3.41Å; E62-K66 PolarHBondContact O-N 3Å; H63-K66 WeakPolarHBondContact O-CB 3.45Å; H63-K66 PolarHBondContact O-N 3.38Å; H63-K66 VanDerWaalsContact O-N 3.16Å; K66-K69 PolarHBondContact O-N 2.92Å; K66-Y70 PolarHBondContact O-N 2.98Å; K66-F130 HydrophobicContact CD-CE2 4.42Å; K66-F130 HydrophobicContact CD-CZ 4.43Å; K66-F130 HydrophobicContact CG-CE2 4.33Å; K66-F130 HydrophobicContact CG-CZ 4.14Å; K66-E134 HydrophobicContact CD-CB 3.85Å; K66-E134 HydrophobicContact CD-CG 4.23Å; K66-E134 WeakPolarHBondContact CD-OE2 3.4Å; K66-E134 WeakPolarHBondContact CE-OE2 3.41Å; K66-E134 PolarHBondContact NZ-O 3.42Å; K66-E134 IonicContact NZ-OE2 3.53Å; K66-E134 PolarHBondContact NZ-OE2 2.96Å; K66-F135 HydrophobicContact CB-CZ 4.09Å; K66-F135 HydrophobicContact CD-CE1 4.35Å; K66-F135 HydrophobicContact CD-CE2 4.07Å; K66-F135 HydrophobicContact CD-CZ 3.7Å; K66-F135 HydrophobicContact CG-CZ 4.13Å
67	L	98.9	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-45.3	173.8	-72.7	162	0	0	0	112.2	I18 Q21 I22 E25 H63 A64 K69 Y70 Q71 L115 F130 F135	I18-L67 HydrophobicContact CG2-CB 4.33Å; I18-L67 HydrophobicContact CG2-CD2 4.41Å; Q21-L67 HydrophobicContact CB-CD1 4.04Å; Q21-L67 HydrophobicContact CG-CD1 3.56Å; Q21-L67 HydrophobicContact CG-CD2 4.41Å; I22-L67 HydrophobicContact CD1-CB 4.25Å; I22-L67 HydrophobicContact CG1-CB 3.53Å; I22-L67 HydrophobicContact CG1-CD1 4.35Å; E25-L67 HydrophobicContact CG-CD1 3.65Å; H63-L67 PolarHBondContact O-N 3.19Å; A64-L67 PolarHBondContact O-N 3.36Å; L67-K69 PolarHBondContact O-N 3.49Å; L67-Y70 PolarHBondContact O-N 2.66Å; L67-Q71 WeakPolarHBondContact O-CB 3.44Å; L67-Q71 PolarHBondContact O-N 3.39Å; L67-L115 HydrophobicContact CD2-CD2 4.4Å; L67-F130 HydrophobicContact CD2-CE1 4.11Å; L67-F135 HydrophobicContact CD1-CE1 4.25Å; L67-F135 HydrophobicContact CD1-CZ 4.39Å; L67-F135 HydrophobicContact CD2-CE1 4.44Å; L67-F135 HydrophobicContact CD2-CE2 4.2Å; L67-F135 HydrophobicContact CD2-CZ 3.87Å; L67-F135 HydrophobicContact CG-CE1 3.99Å; L67-F135 HydrophobicContact CG-CE2 4.45Å; L67-F135 HydrophobicContact CG-CZ 3.64Å
68	A	98.7	Very high	97.4	Very high	13 Å²	13	57.3 Å²	57.3	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-40	178.6	0	0	0	0	0	112.4	I22 A64 E65 N72 V78	I22-A68 HydrophobicContact CD1-CB 4.03Å; A64-A68 WeakPolarHBondContact O-CB 3.5Å; A64-A68 PolarHBondContact O-N 3.01Å; E65-A68 PolarHBondContact O-N 2.95Å; A68-N72 PolarHBondContact O-N 2.96Å; A68-N72 VanDerWaalsContact O-N 3.11Å; A68-N72 PolarHBondContact O-ND2 2.74Å; A68-V78 HydrophobicContact CB-CG2 3.97Å
69	K	98.5	Very high	97.4	Very high	140 Å²	140	59.9 Å²	59.9	61%	0.609	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-43	173.4	-75.1	171.6	-174	161.5	0	111	E65 K66 L67 N72 K73	E65-K69 WeakPolarHBondContact O-CB 3.39Å; E65-K69 WeakPolarHBondContact O-CG 3.19Å; E65-K69 PolarHBondContact O-N 3.3Å; K66-K69 PolarHBondContact O-N 2.92Å; L67-K69 PolarHBondContact O-N 3.49Å; K69-N72 PolarHBondContact O-N 3.14Å; K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 PolarHBondContact O-N 3.23Å
70	Y	98.1	Very high	97.3	Very high	14 Å²	14	63.4 Å²	63.4	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-45.2	176.6	-173.3	-87.3	0	0	0	112.5	I18 K66 L67 N72 K73 R74 A126 L127 F130	I18-Y70 HydrophobicContact CD1-CD1 4.17Å; I18-Y70 HydrophobicContact CD1-CE1 4.35Å; K66-Y70 PolarHBondContact O-N 2.98Å; L67-Y70 PolarHBondContact O-N 2.66Å; Y70-N72 VanDerWaalsContact C-N 3.3Å; Y70-N72 PolarHBondContact O-N 2.95Å; Y70-K73 WeakPolarHBondContact O-CB 3.47Å; Y70-K73 PolarHBondContact O-N 3.22Å; Y70-K73 VanDerWaalsContact O-N 3.09Å; Y70-R74 HydrophobicContact CD1-CG 3.93Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 HydrophobicContact CE2-CG 4.45Å; Y70-R74 PolarHBondContact O-N 3.2Å; Y70-R74 PolarHBondContact OH-NH1 2.96Å; Y70-A126 PolarHBondContact OH-O 3.4Å; Y70-L127 HydrophobicContact CD1-CD1 4.25Å; Y70-L127 HydrophobicContact CE1-CB 4.43Å; Y70-L127 HydrophobicContact CE1-CD1 3.63Å; Y70-L127 VanDerWaalsContact OH-CA 3.24Å; Y70-L127 WeakPolarHBondContact OH-CA 3.34Å; Y70-L127 PolarHBondContact OH-N 3.02Å; Y70-F130 VanDerWaalsContact CB-CZ 3.42Å; Y70-F130 AromaticContact CD1-CD1 3.89Å; Y70-F130 HydrophobicContact CD1-CD1 3.89Å; Y70-F130 AromaticContact CD1-CE1 3.94Å; Y70-F130 HydrophobicContact CD1-CE1 3.94Å; Y70-F130 HydrophobicContact CD1-CG 4.5Å; Y70-F130 HydrophobicContact CD2-CB 4.09Å; Y70-F130 AromaticContact CD2-CD1 3.53Å; Y70-F130 HydrophobicContact CD2-CD1 3.53Å; Y70-F130 AromaticContact CD2-CD2 3.42Å; Y70-F130 HydrophobicContact CD2-CD2 3.42Å; Y70-F130 VanDerWaalsContact CD2-CD2 3.42Å; Y70-F130 AromaticContact CD2-CE1 3.69Å; Y70-F130 HydrophobicContact CD2-CE1 3.69Å; Y70-F130 AromaticContact CD2-CE2 3.6Å; Y70-F130 HydrophobicContact CD2-CE2 3.6Å; Y70-F130 AromaticContact CD2-CG 3.38Å; Y70-F130 HydrophobicContact CD2-CG 3.38Å; Y70-F130 AromaticContact CD2-CZ 3.72Å; Y70-F130 HydrophobicContact CD2-CZ 3.72Å; Y70-F130 HydrophobicContact CE1-CD1 4.13Å; Y70-F130 HydrophobicContact CE2-CB 3.52Å; Y70-F130 AromaticContact CE2-CD1 3.75Å; Y70-F130 HydrophobicContact CE2-CD1 3.75Å; Y70-F130 AromaticContact CE2-CD2 3.74Å; Y70-F130 HydrophobicContact CE2-CD2 3.74Å; Y70-F130 HydrophobicContact CE2-CE1 4.37Å; Y70-F130 HydrophobicContact CE2-CE2 4.37Å; Y70-F130 AromaticContact CE2-CG 3.37Å; Y70-F130 HydrophobicContact CE2-CG 3.37Å; Y70-F130 AromaticContact CG-CD1 3.59Å; Y70-F130 HydrophobicContact CG-CD1 3.59Å; Y70-F130 HydrophobicContact CG-CD2 4.2Å; Y70-F130 AromaticContact CG-CE1 3.42Å; Y70-F130 HydrophobicContact CG-CE1 3.42Å; Y70-F130 VanDerWaalsContact CG-CE1 3.42Å; Y70-F130 HydrophobicContact CG-CE2 4.06Å; Y70-F130 AromaticContact CG-CG 3.97Å; Y70-F130 HydrophobicContact CG-CG 3.97Å; Y70-F130 AromaticContact CG-CZ 3.68Å; Y70-F130 HydrophobicContact CG-CZ 3.68Å; Y70-F130 AromaticContact CZ-CG 3.99Å
71	Q	97.3	Very high	97.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-52.3	-49.3	174.1	-176.8	76.3	-23.1	0	0	111	E15 I18 N19 L67 R74 V75 G76 R77 V78	E15-Q71 PolarHBondContact O-NE2 3.45Å; I18-Q71 VanDerWaalsContact CD1-OE1 3.29Å; I18-Q71 HydrophobicContact CG2-CB 3.95Å; I18-Q71 HydrophobicContact CG2-CG 4.39Å; N19-Q71 PolarHBondContact OD1-NE2 3.08Å; L67-Q71 WeakPolarHBondContact O-CB 3.44Å; L67-Q71 PolarHBondContact O-N 3.39Å; Q71-R74 PolarHBondContact O-N 3.41Å; Q71-V75 PolarHBondContact O-N 2.89Å; Q71-G76 WeakPolarHBondContact O-CA 3.46Å; Q71-G76 PolarHBondContact O-N 2.78Å; Q71-R77 PolarHBondContact NE2-O 3.33Å; Q71-V78 HydrophobicContact CB-CG2 4.07Å; Q71-V78 HydrophobicContact CG-CG2 3.91Å
72	N	95.8	Very high	97.1	Very high	91 Å²	91	67.9 Å²	67.9	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177.5	-75.4	-36	0	0	0	112.6	A68 K69 Y70 R74 V75	A68-N72 PolarHBondContact O-N 2.96Å; A68-N72 VanDerWaalsContact O-N 3.11Å; A68-N72 PolarHBondContact O-ND2 2.74Å; K69-N72 PolarHBondContact O-N 3.14Å; Y70-N72 VanDerWaalsContact C-N 3.3Å; Y70-N72 PolarHBondContact O-N 2.95Å; N72-R74 VanDerWaalsContact C-N 3.31Å; N72-R74 PolarHBondContact O-N 3.06Å; N72-V75 WeakPolarHBondContact O-CA 3.5Å; N72-V75 PolarHBondContact O-N 2.99Å
73	K	95.5	Very high	97	Very high	161 Å²	161	65.4 Å²	65.4	70%	0.7	31%	0.31	S	S	*	.	H	α-helix	trans	-58.5	-41.3	175.5	179.3	-175.2	177.2	-175.7	0	111.7	K69 Y70 V75	K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 PolarHBondContact O-N 3.23Å; Y70-K73 WeakPolarHBondContact O-CB 3.47Å; Y70-K73 PolarHBondContact O-N 3.22Å; Y70-K73 VanDerWaalsContact O-N 3.09Å; K73-V75 PolarHBondContact O-N 3.11Å
74	R	95.1	Very high	97	Very high	33 Å²	33	70.7 Å²	70.7	13%	0.125	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.1	175.4	-61.6	-61.5	-61.2	-77.5	-5.2	113.7	S9 F10 Y70 Q71 N72 G76 D124	S9-R74 PolarHBondContact O-NH2 2.86Å; F10-R74 HydrophobicContact CD1-CB 3.73Å; F10-R74 WeakPolarHBondContact CD1-O 3.47Å; F10-R74 HydrophobicContact CD2-CB 4.01Å; F10-R74 HydrophobicContact CD2-CG 4.43Å; F10-R74 HydrophobicContact CE1-CB 3.74Å; F10-R74 HydrophobicContact CE2-CB 4.04Å; F10-R74 HydrophobicContact CE2-CG 4.36Å; F10-R74 HydrophobicContact CG-CB 3.86Å; F10-R74 HydrophobicContact CZ-CB 3.9Å; Y70-R74 HydrophobicContact CD1-CG 3.93Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 HydrophobicContact CE2-CG 4.45Å; Y70-R74 PolarHBondContact O-N 3.2Å; Y70-R74 PolarHBondContact OH-NH1 2.96Å; Q71-R74 PolarHBondContact O-N 3.41Å; N72-R74 VanDerWaalsContact C-N 3.31Å; N72-R74 PolarHBondContact O-N 3.06Å; R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.34Å; R74-D124 IonicContact CZ-OD1 2.85Å; R74-D124 IonicContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact CZ-OD2 3.31Å; R74-D124 IonicContact NH1-OD1 2.96Å; R74-D124 PolarHBondContact NH1-OD1 2.87Å; R74-D124 IonicContact NH1-OD2 2.99Å; R74-D124 PolarHBondContact NH1-OD2 3.42Å; R74-D124 IonicContact NH2-OD1 3.83Å; R74-D124 PolarHBondContact NH2-OD1 2.74Å; R74-D124 IonicContact NH2-OD2 2.77Å; R74-D124 PolarHBondContact NH2-OD2 3Å
75	V	93.5	Very high	96.9	Very high	17 Å²	17	73 Å²	73	10%	0.103	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	32	-178.9	-155.9	0	0	0	0	114	S4 A6 R7 Q71 N72 K73	S4-V75 WeakPolarHBondContact OG-CG1 3.04Å; A6-V75 HydrophobicContact CB-CG2 3.59Å; R7-V75 HydrophobicContact CB-CB 4.11Å; R7-V75 HydrophobicContact CB-CG2 4.33Å; R7-V75 PolarHBondContact NH1-O 3.37Å; Q71-V75 PolarHBondContact O-N 2.89Å; N72-V75 WeakPolarHBondContact O-CA 3.5Å; N72-V75 PolarHBondContact O-N 2.99Å; K73-V75 PolarHBondContact O-N 3.11Å
76	G	93.9	Very high	96.9	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.353	C	S	.	.			trans	-73.3	-177.6	159.7	0	0	0	0	0	111.9	E15 Q71 R74	E15-G76 VanDerWaalsContact OE1-CA 3.29Å; E15-G76 WeakPolarHBondContact OE1-CA 3.42Å; Q71-G76 WeakPolarHBondContact O-CA 3.46Å; Q71-G76 PolarHBondContact O-N 2.78Å; R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.34Å
77	R	95.1	Very high	96.4	Very high	143 Å²	143	73 Å²	73	54%	0.54	38%	0.375	S	S	.	.			trans	-122.4	123.5	170.8	-63.3	-64.7	176	-103.5	4.7	108.1	E15 N19 Q71 Q79	E15-R77 PolarHBondContact OE1-N 2.86Å; N19-R77 PolarHBondContact ND2-O 2.89Å; N19-R77 PolarHBondContact OD1-O 3.01Å; Q71-R77 PolarHBondContact NE2-O 3.33Å; R77-Q79 PolarHBondContact O-N 3.27Å
78	V	97.6	Very high	96.4	Very high	32 Å²	32	75.5 Å²	75.5	19%	0.194	39%	0.386	C	S	.	.			trans	-66	126.5	170.4	-178.3	0	0	0	0	108	N19 I22 A68 Q71 Y80	N19-V78 VanDerWaalsContact OD1-CA 3.31Å; N19-V78 WeakPolarHBondContact OD1-CA 3.44Å; I22-V78 HydrophobicContact CD1-CG1 4.09Å; I22-V78 HydrophobicContact CD1-CG2 4.39Å; A68-V78 HydrophobicContact CB-CG2 3.97Å; Q71-V78 HydrophobicContact CB-CG2 4.07Å; Q71-V78 HydrophobicContact CG-CG2 3.91Å; V78-Y80 HydrophobicContact CG1-CD1 4.3Å; V78-Y80 HydrophobicContact CG1-CD2 4.44Å; V78-Y80 HydrophobicContact CG1-CE1 3.73Å; V78-Y80 HydrophobicContact CG1-CE2 3.9Å
79	Q	97.6	Very high	96.3	Very high	114 Å²	114	78.4 Å²	78.4	53%	0.533	40%	0.402	S	S	.	.			trans	-125.4	122.3	173.7	-62	179.6	23.2	0	0	107.4	N19 R77	N19-Q79 PolarHBondContact OD1-N 2.77Å; R77-Q79 PolarHBondContact O-N 3.27Å
80	Y	96.3	Very high	96.3	Very high	161 Å²	161	76.8 Å²	76.8	63%	0.631	40%	0.397	S	S	*	.			trans	-89.9	144.6	178.2	-59.8	-72.4	0	0	0	110	I22 L26 V78	I22-Y80 HydrophobicContact CG2-CD1 4.42Å; I22-Y80 HydrophobicContact CG2-CE1 4.18Å; L26-Y80 HydrophobicContact CD1-CD1 4.03Å; L26-Y80 HydrophobicContact CD1-CE1 4.18Å; V78-Y80 HydrophobicContact CG1-CD1 4.3Å; V78-Y80 HydrophobicContact CG1-CD2 4.44Å; V78-Y80 HydrophobicContact CG1-CE1 3.73Å; V78-Y80 HydrophobicContact CG1-CE2 3.9Å
81	S	96	Very high	96.3	Very high	78 Å²	78	76.5 Å²	76.5	55%	0.545	40%	0.396	S	S	.	.			trans	-112.6	173.5	171.9	-62.2	0	0	0	0	109.6	N23	N23-S81 WeakPolarHBondContact OD1-CB 3.41Å; N23-S81 PolarHBondContact OD1-O 2.96Å
82	D	98	Very high	96.3	Very high	145 Å²	145	80.2 Å²	80.2	78%	0.775	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-64.8	139.4	174.9	-63.1	-30.4	0	0	0	110.7
83	I	97.3	Very high	96.4	Very high	74 Å²	74	76.4 Å²	76.4	38%	0.379	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-99	126.4	169.5	-60	173.1	0	0	0	106.9	L26 Y30	L26-I83 HydrophobicContact CB-CD1 3.74Å; L26-I83 HydrophobicContact CB-CG1 4.42Å; L26-I83 HydrophobicContact CD1-CD1 4.45Å; Y30-I83 HydrophobicContact CD1-CG2 3.59Å; Y30-I83 HydrophobicContact CE1-CG2 4.4Å; Y30-I83 HydrophobicContact CG-CG2 4.3Å
84	N	97	Very high	96.5	Very high	116 Å²	116	68.7 Å²	68.7	62%	0.62	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-78.1	156.8	177	-65.5	-59.9	0	0	0	110.2	Q27 Y30	Q27-N84 PolarHBondContact NE2-O 3.25Å; Q27-N84 VanDerWaalsContact NE2-O 3.08Å; Q27-N84 PolarHBondContact OE1-O 3.43Å; Y30-N84 WeakPolarHBondContact CD1-O 3.41Å
85	G	97.7	Very high	96.7	Very high	54 Å²	54	70.2 Å²	70.2	56%	0.557	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-54.4	149.5	168.8	0	0	0	0	0	111	T87	G85-T87 PolarHBondContact O-N 2.97Å
86	P	97.6	Very high	96.9	Very high	31 Å²	31	71 Å²	71	20%	0.201	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-54.6	138.2	-176.5	-28.8	37.3	0	0	0	112.3	Y30 D31 A34 K88 T89	Y30-P86 HydrophobicContact CD1-CG 4.11Å; Y30-P86 HydrophobicContact CD2-CG 4.36Å; Y30-P86 HydrophobicContact CE1-CG 4.1Å; Y30-P86 HydrophobicContact CE2-CG 4.3Å; Y30-P86 HydrophobicContact CG-CG 4.27Å; D31-P86 WeakPolarHBondContact OD1-CA 3.31Å; A34-P86 HydrophobicContact CB-CB 3.7Å; A34-P86 HydrophobicContact CB-CG 3.91Å; P86-K88 PolarHBondContact O-N 2.99Å; P86-T89 HydrophobicContact CB-CG2 4.07Å
87	T	89.9	Confident	97.1	Very high	115 Å²	115	71 Å²	71	71%	0.706	38%	0.381	S	S	*	.	S	Bend	trans	-65.9	-26.4	-175.5	54.2	0	0	0	0	112.7	D31 G85	D31-T87 PolarHBondContact OD1-N 2.82Å; D31-T87 PolarHBondContact OD1-OG1 3.38Å; G85-T87 PolarHBondContact O-N 2.97Å
88	K	97.7	Very high	97.3	Very high	53 Å²	53	64.2 Å²	64.2	23%	0.23	36%	0.355	C	S	.	.			trans	-147.8	132.9	177.8	-172.9	169.9	178.8	177.3	0	110.7	P86 E90 F91 D96 T100	P86-K88 PolarHBondContact O-N 2.99Å; K88-E90 WeakPolarHBondContact CE-O 3.45Å; K88-E90 WeakPolarHBondContact CG-O 3.36Å; K88-F91 HydrophobicContact CB-CZ 4.48Å; K88-F91 HydrophobicContact CD-CD1 4.06Å; K88-F91 HydrophobicContact CD-CE1 3.75Å; K88-F91 HydrophobicContact CD-CZ 4.38Å; K88-F91 HydrophobicContact CG-CD1 4.46Å; K88-F91 HydrophobicContact CG-CE1 3.98Å; K88-F91 HydrophobicContact CG-CZ 4.11Å; K88-D96 IonicContact NZ-OD1 2.62Å; K88-D96 PolarHBondContact NZ-OD1 2.99Å; K88-D96 IonicContact NZ-OD2 3.4Å; K88-D96 PolarHBondContact NZ-OD2 3.37Å; K88-T100 HydrophobicContact CD-CG2 4.09Å; K88-T100 PolarHBondContact NZ-OG1 2.89Å
89	T	98	Very high	97.4	Very high	75 Å²	75	66.8 Å²	66.8	46%	0.46	37%	0.368	S	S	.	.			trans	-125.2	-2.3	-177.9	60.7	0	0	0	0	113.5	A34 Y38 P86	A34-T89 HydrophobicContact CB-CG2 4.16Å; Y38-T89 WeakPolarHBondContact CD2-O 3.46Å; P86-T89 HydrophobicContact CB-CG2 4.07Å
90	E	98.2	Very high	97.4	Very high	105 Å²	105	62.6 Å²	62.6	49%	0.491	35%	0.35	S	S	.	.			trans	-136.5	135.4	-176.8	-66.2	-75.3	164.2	0	0	108	Y38 R41 K88	Y38-E90 WeakPolarHBondContact CE2-OE2 3.36Å; R41-E90 IonicContact NH1-OE1 3.68Å; R41-E90 PolarHBondContact NH1-OE1 3.32Å; R41-E90 IonicContact NH1-OE2 2.83Å; R41-E90 PolarHBondContact NH1-OE2 3.15Å; K88-E90 WeakPolarHBondContact CE-O 3.45Å; K88-E90 WeakPolarHBondContact CG-O 3.36Å
91	F	98.2	Very high	97.5	Very high	8 Å²	8	55 Å²	55	4%	0.035	32%	0.32	C	S	.	.			trans	-126.3	142.8	-176.1	-57.5	-92.1	0	0	0	110.5	F35 Y38 F39 K88 A97 T100	F35-F91 HydrophobicContact CB-CE2 4.45Å; F35-F91 HydrophobicContact CB-CZ 4.41Å; F35-F91 AromaticContact CD1-CE1 3.89Å; F35-F91 HydrophobicContact CD1-CE1 3.89Å; F35-F91 HydrophobicContact CD1-CE2 4.32Å; F35-F91 AromaticContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD2-CE1 4.24Å; F35-F91 HydrophobicContact CD2-CE2 4.13Å; F35-F91 AromaticContact CD2-CZ 3.41Å; F35-F91 HydrophobicContact CD2-CZ 3.41Å; F35-F91 VanDerWaalsContact CD2-CZ 3.41Å; F35-F91 AromaticContact CE1-CE1 3.55Å; F35-F91 HydrophobicContact CE1-CE1 3.55Å; F35-F91 AromaticContact CE1-CZ 3.7Å; F35-F91 HydrophobicContact CE1-CZ 3.7Å; F35-F91 AromaticContact CE2-CE1 3.96Å; F35-F91 HydrophobicContact CE2-CE1 3.96Å; F35-F91 AromaticContact CE2-CZ 3.48Å; F35-F91 HydrophobicContact CE2-CZ 3.48Å; F35-F91 VanDerWaalsContact CE2-CZ 3.48Å; F35-F91 HydrophobicContact CG-CE1 4.23Å; F35-F91 HydrophobicContact CG-CE2 4.01Å; F35-F91 AromaticContact CG-CZ 3.52Å; F35-F91 HydrophobicContact CG-CZ 3.52Å; F35-F91 AromaticContact CZ-CE1 3.61Å; F35-F91 HydrophobicContact CZ-CE1 3.61Å; F35-F91 AromaticContact CZ-CZ 3.63Å; F35-F91 HydrophobicContact CZ-CZ 3.63Å; Y38-F91 HydrophobicContact CD1-CB 4.11Å; Y38-F91 AromaticContact CD1-CD2 3.41Å; Y38-F91 HydrophobicContact CD1-CD2 3.41Å; Y38-F91 VanDerWaalsContact CD1-CD2 3.41Å; Y38-F91 HydrophobicContact CD1-CE2 4.29Å; Y38-F91 HydrophobicContact CD1-CG 4.2Å; Y38-F91 HydrophobicContact CD2-CD2 4.33Å; Y38-F91 HydrophobicContact CE1-CB 3.7Å; Y38-F91 AromaticContact CE1-CD2 3.91Å; Y38-F91 HydrophobicContact CE1-CD2 3.91Å; Y38-F91 HydrophobicContact CE1-CG 4.29Å; Y38-F91 AromaticContact CG-CD2 3.66Å; Y38-F91 HydrophobicContact CG-CD2 3.66Å; Y38-F91 HydrophobicContact CG-CE2 4.26Å; Y38-F91 PolarHBondContact OH-O 2.69Å; F39-F91 HydrophobicContact CE2-CD2 4.49Å; F39-F91 HydrophobicContact CZ-CB 4.34Å; F39-F91 HydrophobicContact CZ-CG 4.44Å; K88-F91 HydrophobicContact CB-CZ 4.48Å; K88-F91 HydrophobicContact CD-CD1 4.06Å; K88-F91 HydrophobicContact CD-CE1 3.75Å; K88-F91 HydrophobicContact CD-CZ 4.38Å; K88-F91 HydrophobicContact CG-CD1 4.46Å; K88-F91 HydrophobicContact CG-CE1 3.98Å; K88-F91 HydrophobicContact CG-CZ 4.11Å; F91-A97 HydrophobicContact CB-CB 4.48Å; F91-A97 HydrophobicContact CD1-CB 3.71Å; F91-A97 HydrophobicContact CE1-CB 4.19Å; F91-A97 HydrophobicContact CG-CB 4.11Å; F91-T100 HydrophobicContact CE1-CG2 4.32Å
92	S	96.3	Very high	97.7	Very high	78 Å²	78	51.9 Å²	51.9	55%	0.545	30%	0.298	S	S	.	.	S	Bend	trans	-88.5	-11.2	-178.5	61.8	0	0	0	0	114.2	D96 K158	S92-D96 PolarHBondContact N-OD2 3.33Å; S92-D96 WeakPolarHBondContact OG-CB 3.45Å; S92-D96 PolarHBondContact OG-OD2 3.46Å; S92-D96 VanDerWaalsContact OG-OD2 3.05Å; S92-K158 PolarHBondContact O-NZ 3.29Å
93	S	97.5	Very high	97.7	Very high	11 Å²	11	46.9 Å²	46.9	8%	0.077	28%	0.281	C	S	.	.	S	Bend	trans	-172.6	167.2	-177.2	32.3	0	0	0	0	110.3	D96 A97 E162	S93-D96 WeakPolarHBondContact O-CB 3.4Å; S93-D96 PolarHBondContact O-N 3.36Å; S93-D96 WeakPolarHBondContact OG-CB 3.3Å; S93-D96 PolarHBondContact OG-N 2.93Å; S93-A97 PolarHBondContact O-N 2.85Å; S93-A97 VanDerWaalsContact O-N 3.17Å; S93-E162 VanDerWaalsContact CA-OE1 3.26Å; S93-E162 WeakPolarHBondContact CA-OE1 3.37Å; S93-E162 WeakPolarHBondContact CB-OE1 2.87Å
94	L	98.5	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-37.4	163.7	-70.9	175.7	0	0	0	110.6	F39 F46 A49 D96 A97 M98 T153 E162 F165 D166	F39-L94 HydrophobicContact CD1-CD2 4.2Å; F39-L94 HydrophobicContact CE1-CD2 3.57Å; F39-L94 HydrophobicContact CE1-CG 4.47Å; F39-L94 HydrophobicContact CE2-CD2 4.48Å; F39-L94 HydrophobicContact CZ-CD2 3.74Å; F46-L94 HydrophobicContact CB-CD2 4.4Å; F46-L94 HydrophobicContact CD1-CD1 3.97Å; F46-L94 HydrophobicContact CD1-CG 4.44Å; F46-L94 HydrophobicContact CD2-CD2 4.3Å; F46-L94 HydrophobicContact CD2-CG 4.37Å; F46-L94 HydrophobicContact CE1-CD1 3.95Å; F46-L94 HydrophobicContact CE1-CG 4.42Å; F46-L94 HydrophobicContact CE2-CG 4.38Å; F46-L94 HydrophobicContact CG-CD1 4.37Å; F46-L94 HydrophobicContact CG-CD2 4.21Å; F46-L94 HydrophobicContact CG-CG 4.4Å; F46-L94 HydrophobicContact CZ-CD1 4.36Å; F46-L94 HydrophobicContact CZ-CG 4.39Å; A49-L94 HydrophobicContact CB-CD2 3.67Å; L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 3.2Å; L94-A97 PolarHBondContact O-N 3.09Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.33Å; L94-M98 PolarHBondContact O-N 3.31Å; L94-T153 HydrophobicContact CB-CG2 3.94Å; L94-E162 HydrophobicContact CB-CG 4.22Å; L94-E162 HydrophobicContact CD1-CB 3.88Å; L94-E162 HydrophobicContact CD1-CG 4.24Å; L94-E162 WeakPolarHBondContact CD1-O 3.47Å; L94-E162 HydrophobicContact CG-CB 4.44Å; L94-E162 HydrophobicContact CG-CG 4.44Å; L94-E162 PolarHBondContact N-OE1 3.01Å; L94-F165 HydrophobicContact CD1-CD1 3.89Å; L94-D166 HydrophobicContact CD1-CB 4.36Å
95	E	98.5	Very high	97.8	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-53.6	-45.8	172.6	-176.3	-171.5	163.4	0	0	112	M98 N99 L150 T153 Q154	E95-M98 PolarHBondContact O-N 3.08Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.27Å; E95-L150 HydrophobicContact CG-CD1 3.74Å; E95-T153 WeakPolarHBondContact CA-OG1 3.17Å; E95-Q154 HydrophobicContact CG-CG 3.81Å; E95-Q154 VanDerWaalsContact OE1-CG 3.23Å; E95-Q154 WeakPolarHBondContact OE1-CG 3.45Å; E95-Q154 PolarHBondContact OE1-NE2 3.25Å
96	D	98.5	Very high	97.9	Very high	33 Å²	33	41.8 Å²	41.8	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-39.2	-179.6	-176.5	27.7	0	0	0	111.9	K88 S92 S93 L94 T100	K88-D96 IonicContact NZ-OD1 2.62Å; K88-D96 PolarHBondContact NZ-OD1 2.99Å; K88-D96 IonicContact NZ-OD2 3.4Å; K88-D96 PolarHBondContact NZ-OD2 3.37Å; S92-D96 PolarHBondContact N-OD2 3.33Å; S92-D96 WeakPolarHBondContact OG-CB 3.45Å; S92-D96 PolarHBondContact OG-OD2 3.46Å; S92-D96 VanDerWaalsContact OG-OD2 3.05Å; S93-D96 WeakPolarHBondContact O-CB 3.4Å; S93-D96 PolarHBondContact O-N 3.36Å; S93-D96 WeakPolarHBondContact OG-CB 3.3Å; S93-D96 PolarHBondContact OG-N 2.93Å; L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 3.2Å; D96-T100 WeakPolarHBondContact O-CB 3.43Å; D96-T100 PolarHBondContact O-N 3.1Å; D96-T100 PolarHBondContact O-OG1 2.83Å
97	A	98.5	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-46.7	173.2	0	0	0	0	0	112.4	F35 F39 F53 F91 S93 L94 N99 T100 A101	F35-A97 HydrophobicContact CD1-CB 4.18Å; F35-A97 HydrophobicContact CE1-CB 4.21Å; F39-A97 HydrophobicContact CE2-CB 3.59Å; F39-A97 HydrophobicContact CZ-CB 3.46Å; F39-A97 VanDerWaalsContact CZ-CB 3.46Å; F53-A97 HydrophobicContact CE2-CB 4.27Å; F53-A97 HydrophobicContact CZ-CB 4.24Å; F91-A97 HydrophobicContact CB-CB 4.48Å; F91-A97 HydrophobicContact CD1-CB 3.71Å; F91-A97 HydrophobicContact CE1-CB 4.19Å; F91-A97 HydrophobicContact CG-CB 4.11Å; S93-A97 PolarHBondContact O-N 2.85Å; S93-A97 VanDerWaalsContact O-N 3.17Å; L94-A97 PolarHBondContact O-N 3.09Å; A97-N99 VanDerWaalsContact C-N 3.31Å; A97-N99 PolarHBondContact O-N 3.14Å; A97-T100 PolarHBondContact O-N 2.66Å; A97-T100 VanDerWaalsContact O-N 3.12Å; A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 3.17Å
98	M	98.6	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-38.8	178.3	-62.6	-55.7	154.5	0	0	111.8	F53 L94 E95 L102 F146 Y149 L150 T153 F165 L170	F53-M98 HydrophobicContact CE2-CE 4.01Å; F53-M98 HydrophobicContact CZ-CE 3.76Å; F53-M98 HydrophobicContact CZ-SD 4.13Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.33Å; L94-M98 PolarHBondContact O-N 3.31Å; E95-M98 PolarHBondContact O-N 3.08Å; M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.37Å; M98-L102 PolarHBondContact O-N 3.08Å; M98-F146 HydrophobicContact SD-CD1 3.84Å; M98-F146 HydrophobicContact SD-CE1 3.96Å; M98-Y149 HydrophobicContact SD-CD2 3.89Å; M98-Y149 HydrophobicContact SD-CG 4.3Å; M98-L150 HydrophobicContact CB-CB 4.26Å; M98-T153 HydrophobicContact CG-CG2 4.15Å; M98-F165 HydrophobicContact CE-CE1 4.01Å; M98-L170 HydrophobicContact CE-CD1 4.24Å; M98-L170 HydrophobicContact CE-CD2 4.31Å
99	N	98.7	Very high	98.4	Very high	87 Å²	87	36.3 Å²	36.3	47%	0.465	21%	0.213	S	C	.	.	H	α-helix	trans	-65.9	-39.4	174	-174.6	60.2	0	0	0	112.4	E95 A97 G103 L150	E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.27Å; A97-N99 VanDerWaalsContact C-N 3.31Å; A97-N99 PolarHBondContact O-N 3.14Å; N99-G103 PolarHBondContact O-N 3.21Å; N99-G103 VanDerWaalsContact O-N 3.15Å; N99-L150 HydrophobicContact CB-CD1 3.77Å; N99-L150 HydrophobicContact CB-CD2 4.15Å
100	T	98.7	Very high	98.4	Very high	26 Å²	26	39 Å²	39	16%	0.16	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-48	177.3	-52.8	0	0	0	0	110.4	F35 K88 F91 D96 A97 G103 M104	F35-T100 HydrophobicContact CE1-CG2 4.47Å; F35-T100 HydrophobicContact CE2-CG2 4.43Å; F35-T100 HydrophobicContact CZ-CG2 3.65Å; K88-T100 HydrophobicContact CD-CG2 4.09Å; K88-T100 PolarHBondContact NZ-OG1 2.89Å; F91-T100 HydrophobicContact CE1-CG2 4.32Å; D96-T100 WeakPolarHBondContact O-CB 3.43Å; D96-T100 PolarHBondContact O-N 3.1Å; D96-T100 PolarHBondContact O-OG1 2.83Å; A97-T100 PolarHBondContact O-N 2.66Å; A97-T100 VanDerWaalsContact O-N 3.12Å; T100-G103 WeakPolarHBondContact O-CA 3.15Å; T100-G103 PolarHBondContact O-N 2.86Å; T100-G103 VanDerWaalsContact O-N 3.11Å; T100-M104 HydrophobicContact CG2-SD 4.42Å; T100-M104 WeakPolarHBondContact O-CG 3.18Å; T100-M104 PolarHBondContact O-N 3.46Å
101	A	98.7	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.2	0	0	0	0	0	112.1	Y32 F35 F53 A97 G103 M104 E105 F146	Y32-A101 HydrophobicContact CE1-CB 3.91Å; F35-A101 HydrophobicContact CE1-CB 4.11Å; F53-A101 HydrophobicContact CE1-CB 4.1Å; A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 3.17Å; A101-G103 PolarHBondContact O-N 3.25Å; A101-M104 WeakPolarHBondContact O-CA 3.32Å; A101-M104 WeakPolarHBondContact O-CB 3.46Å; A101-M104 PolarHBondContact O-N 3.35Å; A101-E105 PolarHBondContact O-N 3.06Å; A101-F146 HydrophobicContact CB-CD1 3.57Å; A101-F146 HydrophobicContact CB-CD2 4.46Å; A101-F146 HydrophobicContact CB-CE1 3.35Å; A101-F146 HydrophobicContact CB-CE2 4.27Å; A101-F146 HydrophobicContact CB-CG 4.13Å; A101-F146 HydrophobicContact CB-CZ 3.73Å
102	L	98.8	Very high	98.5	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-56.8	-37.8	173.6	-178.7	59.5	0	0	0	112.6	M98 K106 I143 F146 A147 L150	M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.37Å; M98-L102 PolarHBondContact O-N 3.08Å; L102-K106 HydrophobicContact CD1-CD 4.45Å; L102-K106 HydrophobicContact CG-CD 4.44Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.44Å; L102-K106 PolarHBondContact O-N 2.68Å; L102-I143 HydrophobicContact CD1-CG2 4.07Å; L102-I143 WeakPolarHBondContact CD1-O 3.42Å; L102-F146 HydrophobicContact CB-CB 3.98Å; L102-F146 HydrophobicContact CD1-CB 4.03Å; L102-A147 HydrophobicContact CD1-CB 4.19Å; L102-A147 HydrophobicContact CD2-CB 4.25Å; L102-L150 HydrophobicContact CD2-CD2 3.89Å
103	G	98.7	Very high	98.6	Very high	41 Å²	41	35 Å²	35	42%	0.423	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-41	174.7	0	0	0	0	0	112.5	N99 T100 A101 A107	N99-G103 PolarHBondContact O-N 3.21Å; N99-G103 VanDerWaalsContact O-N 3.15Å; T100-G103 WeakPolarHBondContact O-CA 3.15Å; T100-G103 PolarHBondContact O-N 2.86Å; T100-G103 VanDerWaalsContact O-N 3.11Å; A101-G103 PolarHBondContact O-N 3.25Å; G103-A107 PolarHBondContact O-N 3.4Å; G103-A107 VanDerWaalsContact O-N 3.12Å
104	M	98.4	Very high	98.6	Very high	22 Å²	22	37.9 Å²	37.9	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-50.9	175.6	-68.2	167.9	53.6	0	0	111.1	D31 Y32 F35 T100 A101 K106 A107 V108	D31-M104 HydrophobicContact CB-CE 3.41Å; D31-M104 VanDerWaalsContact CB-CE 3.41Å; D31-M104 HydrophobicContact CB-SD 4.19Å; Y32-M104 HydrophobicContact CD1-CE 4.21Å; Y32-M104 HydrophobicContact CD2-CE 4.13Å; Y32-M104 HydrophobicContact CE1-CE 4.05Å; Y32-M104 HydrophobicContact CE2-CE 3.98Å; Y32-M104 HydrophobicContact CG-CE 4.24Å; F35-M104 HydrophobicContact CE2-CE 4.46Å; F35-M104 HydrophobicContact CE2-SD 3.72Å; F35-M104 HydrophobicContact CZ-SD 3.61Å; T100-M104 HydrophobicContact CG2-SD 4.42Å; T100-M104 WeakPolarHBondContact O-CG 3.18Å; T100-M104 PolarHBondContact O-N 3.46Å; A101-M104 WeakPolarHBondContact O-CA 3.32Å; A101-M104 WeakPolarHBondContact O-CB 3.46Å; A101-M104 PolarHBondContact O-N 3.35Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.32Å; M104-A107 CarbonylContact O-C 3.55Å; M104-A107 WeakPolarHBondContact O-CA 3.41Å; M104-A107 WeakPolarHBondContact O-CB 3.38Å; M104-A107 PolarHBondContact O-N 2.93Å; M104-V108 PolarHBondContact O-N 2.95Å
105	E	98.6	Very high	98.6	Very high	4 Å²	4	38 Å²	38	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-38.4	-179.3	-67.6	-45.5	136.2	0	0	113.1	Y32 A101 A107 V108 S109 Q139 A142 I143 F146	Y32-E105 WeakPolarHBondContact CE2-OE1 3.47Å; Y32-E105 PolarHBondContact OH-OE1 3.16Å; A101-E105 PolarHBondContact O-N 3.06Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 3.35Å; E105-V108 PolarHBondContact O-N 3.4Å; E105-S109 WeakPolarHBondContact O-CB 3.13Å; E105-S109 PolarHBondContact O-N 3.35Å; E105-Q139 PolarHBondContact O-NE2 2.92Å; E105-Q139 PolarHBondContact OE2-NE2 3.47Å; E105-A142 HydrophobicContact CG-CB 4.23Å; E105-I143 HydrophobicContact CB-CG1 3.83Å; E105-F146 HydrophobicContact CG-CD2 3.61Å; E105-F146 HydrophobicContact CG-CE2 3.79Å
106	K	98.8	Very high	98.7	Very high	110 Å²	110	36.7 Å²	36.7	48%	0.478	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-34.4	173.8	-75.1	177.2	178.1	175.7	0	112.3	L102 M104 K110 I143	L102-K106 HydrophobicContact CD1-CD 4.45Å; L102-K106 HydrophobicContact CG-CD 4.44Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.44Å; L102-K106 PolarHBondContact O-N 2.68Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.32Å; K106-K110 VanDerWaalsContact O-CB 3.32Å; K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 PolarHBondContact O-N 3.16Å; K106-I143 HydrophobicContact CG-CD1 4.05Å; K106-I143 HydrophobicContact CG-CG1 4.14Å; K106-I143 HydrophobicContact CG-CG2 4.39Å
107	A	98.6	Very high	98.7	Very high	59 Å²	59	41.7 Å²	41.7	49%	0.488	22%	0.224	S	C	.	.	H	α-helix	trans	-71.8	-42.9	176.7	0	0	0	0	0	111.7	G103 M104 E105 K110 S111	G103-A107 PolarHBondContact O-N 3.4Å; G103-A107 VanDerWaalsContact O-N 3.12Å; M104-A107 CarbonylContact O-C 3.55Å; M104-A107 WeakPolarHBondContact O-CA 3.41Å; M104-A107 WeakPolarHBondContact O-CB 3.38Å; M104-A107 PolarHBondContact O-N 2.93Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 3.35Å; A107-K110 PolarHBondContact O-N 3.37Å; A107-S111 PolarHBondContact O-N 2.53Å
108	V	98.6	Very high	98.7	Very high	6 Å²	6	43 Å²	43	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-51.3	173.7	173.8	0	0	0	0	110.1	V24 E25 A28 M104 E105 K110 S111 L112	V24-V108 HydrophobicContact CG1-CG2 4.04Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.22Å; A28-V108 HydrophobicContact CB-CG2 4.26Å; M104-V108 PolarHBondContact O-N 2.95Å; E105-V108 PolarHBondContact O-N 3.4Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 3.23Å; V108-S111 CarbonylContact O-C 3.6Å; V108-S111 WeakPolarHBondContact O-CA 3.44Å; V108-S111 WeakPolarHBondContact O-CB 3.22Å; V108-S111 PolarHBondContact O-N 2.86Å; V108-L112 HydrophobicContact CG1-CD1 4.03Å; V108-L112 PolarHBondContact O-N 3.49Å
109	S	98.6	Very high	98.7	Very high	20 Å²	20	43 Å²	43	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-45.1	176	178.9	0	0	0	0	112.3	E105 S111 L112 L113	E105-S109 WeakPolarHBondContact O-CB 3.13Å; E105-S109 PolarHBondContact O-N 3.35Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 2.88Å; S109-L112 PolarHBondContact O-N 3.48Å; S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 3.12Å
110	K	98.7	Very high	98.6	Very high	132 Å²	132	41.5 Å²	41.5	57%	0.574	23%	0.228	S	C	*	.	H	α-helix	trans	-61.3	-42.2	175	-177.5	-177.4	171.9	-171.7	0	112	K106 A107 V108 L112 L113 E114	K106-K110 VanDerWaalsContact O-CB 3.32Å; K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 PolarHBondContact O-N 3.16Å; A107-K110 PolarHBondContact O-N 3.37Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 3.23Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L113 PolarHBondContact O-N 2.91Å; K110-E114 WeakPolarHBondContact O-CG 3.09Å; K110-E114 PolarHBondContact O-N 3.2Å
111	S	98.7	Very high	98.6	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-36.7	177.5	-170.2	0	0	0	0	112	Q21 A107 V108 S109 E114 L115	Q21-S111 VanDerWaalsContact OE1-CB 3.27Å; Q21-S111 PolarHBondContact OE1-OG 3.03Å; A107-S111 PolarHBondContact O-N 2.53Å; V108-S111 CarbonylContact O-C 3.6Å; V108-S111 WeakPolarHBondContact O-CA 3.44Å; V108-S111 WeakPolarHBondContact O-CB 3.22Å; V108-S111 PolarHBondContact O-N 2.86Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 2.88Å; S111-E114 WeakPolarHBondContact O-CB 3.25Å; S111-E114 PolarHBondContact O-N 3.27Å; S111-L115 PolarHBondContact O-N 3.48Å
112	L	98.8	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-39.2	172.9	-73.3	162.8	0	0	0	112.2	Q21 V108 S109 K110 E114 L115 H116 I131 F135 L136 Q139	Q21-L112 HydrophobicContact CG-CD2 3.85Å; V108-L112 HydrophobicContact CG1-CD1 4.03Å; V108-L112 PolarHBondContact O-N 3.49Å; S109-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.33Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-L115 WeakPolarHBondContact O-CB 3.25Å; L112-L115 PolarHBondContact O-N 2.97Å; L112-H116 WeakPolarHBondContact O-CB 3.07Å; L112-H116 PolarHBondContact O-N 3.47Å; L112-I131 HydrophobicContact CB-CG2 4.47Å; L112-I131 HydrophobicContact CD2-CG2 4.36Å; L112-F135 HydrophobicContact CD1-CB 3.84Å; L112-F135 HydrophobicContact CD2-CB 4.02Å; L112-F135 HydrophobicContact CD2-CD1 4.33Å; L112-F135 HydrophobicContact CD2-CG 4.13Å; L112-L136 HydrophobicContact CB-CD2 3.79Å; L112-Q139 HydrophobicContact CD1-CG 3.51Å
113	L	98.7	Very high	98.4	Very high	94 Å²	94	55.4 Å²	55.4	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-38.3	173.3	-68.2	172	0	0	0	111.9	S109 K110 H116 E117 L136	S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 3.12Å; K110-L113 PolarHBondContact O-N 2.91Å; L113-H116 PolarHBondContact O-N 2.95Å; L113-E117 PolarHBondContact O-N 2.9Å; L113-L136 HydrophobicContact CD2-CD1 4.2Å; L113-L136 HydrophobicContact CD2-CD2 4.1Å; L113-L136 HydrophobicContact CG-CD2 4.44Å
114	E	98.7	Very high	98.4	Very high	72 Å²	72	53.8 Å²	53.8	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-41.3	172.2	-69.6	173.8	-173	0	0	111.4	K20 K110 S111 L112 E117 V118	K20-E114 IonicContact NZ-OE2 3.46Å; K20-E114 PolarHBondContact NZ-OE2 2.89Å; K110-E114 WeakPolarHBondContact O-CG 3.09Å; K110-E114 PolarHBondContact O-N 3.2Å; S111-E114 WeakPolarHBondContact O-CB 3.25Å; S111-E114 PolarHBondContact O-N 3.27Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-E117 PolarHBondContact O-N 3.37Å; E114-V118 WeakPolarHBondContact O-CG2 3.23Å; E114-V118 PolarHBondContact O-N 3Å; E114-V118 VanDerWaalsContact O-N 3.12Å
115	L	98.8	Very high	98.3	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-41.1	175	173.4	60.4	0	0	0	111.6	A17 I18 Q21 L67 S111 L112 V118 A119 I131	A17-L115 HydrophobicContact CB-CD1 3.42Å; A17-L115 VanDerWaalsContact CB-CD1 3.42Å; I18-L115 HydrophobicContact CG1-CD1 4Å; I18-L115 HydrophobicContact CG1-CD2 4.4Å; Q21-L115 HydrophobicContact CB-CD2 3.92Å; Q21-L115 HydrophobicContact CG-CD2 4.08Å; L67-L115 HydrophobicContact CD2-CD2 4.4Å; S111-L115 PolarHBondContact O-N 3.48Å; L112-L115 WeakPolarHBondContact O-CB 3.25Å; L112-L115 PolarHBondContact O-N 2.97Å; L115-V118 WeakPolarHBondContact O-CB 3.33Å; L115-V118 PolarHBondContact O-N 3.32Å; L115-A119 PolarHBondContact O-N 2.97Å; L115-I131 HydrophobicContact CB-CD1 4.45Å; L115-I131 HydrophobicContact CD1-CD1 4.48Å; L115-I131 HydrophobicContact CD2-CD1 3.97Å; L115-I131 HydrophobicContact CD2-CG1 4.07Å; L115-I131 HydrophobicContact CG-CD1 3.61Å; L115-I131 HydrophobicContact CG-CG1 4.26Å
116	H	98.6	Very high	98.2	Very high	36 Å²	36	59.8 Å²	59.8	17%	0.167	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.5	-177.9	-77.3	0	0	0	111.9	L112 L113 V118 A119 S120 I131 E132	L112-H116 WeakPolarHBondContact O-CB 3.07Å; L112-H116 PolarHBondContact O-N 3.47Å; L113-H116 PolarHBondContact O-N 2.95Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 PolarHBondContact O-N 2.88Å; H116-A119 WeakPolarHBondContact O-CB 3.42Å; H116-A119 PolarHBondContact O-N 3.37Å; H116-A119 VanDerWaalsContact O-N 3.16Å; H116-S120 PolarHBondContact CE1-OG 3.32Å; H116-S120 PolarHBondContact O-N 3.19Å; H116-S120 PolarHBondContact O-OG 2.87Å; H116-S120 VanDerWaalsContact O-OG 3.12Å; H116-I131 HydrophobicContact CB-CD1 4.33Å; H116-I131 HydrophobicContact CB-CG2 4.24Å; H116-E132 IonicContact CD2-OE1 3.32Å; H116-E132 IonicContact CE1-OE1 2.69Å; H116-E132 IonicContact NE2-OE1 2.57Å; H116-E132 PolarHBondContact NE2-OE1 3Å
117	E	98.7	Very high	98.1	Very high	138 Å²	138	54.6 Å²	54.6	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-60.8	-41.7	175	-171.9	-179	179.2	0	0	111.4	L113 E114 A119 S120 K121	L113-E117 PolarHBondContact O-N 2.9Å; E114-E117 PolarHBondContact O-N 3.37Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.43Å; E117-S120 PolarHBondContact O-N 3.25Å; E117-K121 VanDerWaalsContact O-CB 3.31Å; E117-K121 WeakPolarHBondContact O-CB 3.45Å; E117-K121 PolarHBondContact O-N 3.23Å
118	V	98.7	Very high	98.1	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-42	174.8	171.4	0	0	0	0	111.4	E13 A17 E114 L115 H116 N122	E13-V118 HydrophobicContact CB-CG1 4.29Å; E13-V118 HydrophobicContact CG-CG1 3.81Å; A17-V118 HydrophobicContact CB-CB 4.34Å; A17-V118 HydrophobicContact CB-CG1 4.05Å; A17-V118 HydrophobicContact CB-CG2 4.37Å; E114-V118 WeakPolarHBondContact O-CG2 3.23Å; E114-V118 PolarHBondContact O-N 3Å; E114-V118 VanDerWaalsContact O-N 3.12Å; L115-V118 WeakPolarHBondContact O-CB 3.33Å; L115-V118 PolarHBondContact O-N 3.32Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 PolarHBondContact O-N 2.88Å; V118-N122 WeakPolarHBondContact O-CB 3.29Å; V118-N122 PolarHBondContact O-N 2.88Å; V118-N122 VanDerWaalsContact O-N 3.14Å; V118-N122 PolarHBondContact O-ND2 2.57Å
119	A	98.4	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-47	175.7	0	0	0	0	0	111.4	L115 H116 E117 N122 N123 D124 L127 A128 I131	L115-A119 PolarHBondContact O-N 2.97Å; H116-A119 WeakPolarHBondContact O-CB 3.42Å; H116-A119 PolarHBondContact O-N 3.37Å; H116-A119 VanDerWaalsContact O-N 3.16Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.43Å; A119-N122 CarbonylContact O-C 3.56Å; A119-N122 PolarHBondContact O-N 3.16Å; A119-N123 PolarHBondContact O-N 2.98Å; A119-D124 PolarHBondContact O-N 2.99Å; A119-L127 HydrophobicContact CB-CB 3.97Å; A119-L127 HydrophobicContact CB-CD2 3.75Å; A119-L127 HydrophobicContact CB-CG 3.67Å; A119-A128 HydrophobicContact CB-CB 4.29Å; A119-I131 HydrophobicContact CB-CD1 4.35Å
120	S	97.9	Very high	98.1	Very high	56 Å²	56	56.9 Å²	56.9	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-47.9	178.8	-65.2	0	0	0	0	112	H116 E117 N122 N123	H116-S120 PolarHBondContact CE1-OG 3.32Å; H116-S120 PolarHBondContact O-N 3.19Å; H116-S120 PolarHBondContact O-OG 2.87Å; H116-S120 VanDerWaalsContact O-OG 3.12Å; E117-S120 PolarHBondContact O-N 3.25Å; S120-N122 PolarHBondContact O-N 3.36Å; S120-N123 PolarHBondContact O-N 2.69Å
121	K	98.3	Very high	98.1	Very high	137 Å²	137	50.6 Å²	50.6	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-58.8	-34.4	176.7	177.8	-174.5	167.3	-159.5	0	112.7	E13 E117 N123	E13-K121 IonicContact OE1-NZ 2.89Å; E13-K121 PolarHBondContact OE1-NZ 3.41Å; E13-K121 IonicContact OE2-NZ 3.26Å; E13-K121 PolarHBondContact OE2-NZ 3.43Å; E117-K121 VanDerWaalsContact O-CB 3.31Å; E117-K121 WeakPolarHBondContact O-CB 3.45Å; E117-K121 PolarHBondContact O-N 3.23Å; K121-N123 VanDerWaalsContact C-N 3.32Å
122	N	97.6	Very high	98.1	Very high	52 Å²	52	54 Å²	54	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.2	178.8	-76.4	-85.2	0	0	0	113.5	A11 E13 V118 A119 S120 D124	A11-N122 HydrophobicContact CB-CB 4.09Å; A11-N122 VanDerWaalsContact CB-OD1 3.28Å; A11-N122 WeakPolarHBondContact CB-OD1 3.36Å; E13-N122 PolarHBondContact OE2-ND2 3.43Å; V118-N122 WeakPolarHBondContact O-CB 3.29Å; V118-N122 PolarHBondContact O-N 2.88Å; V118-N122 VanDerWaalsContact O-N 3.14Å; V118-N122 PolarHBondContact O-ND2 2.57Å; A119-N122 CarbonylContact O-C 3.56Å; A119-N122 PolarHBondContact O-N 3.16Å; S120-N122 PolarHBondContact O-N 3.36Å; N122-D124 VanDerWaalsContact C-N 3.28Å; N122-D124 PolarHBondContact O-N 3.31Å
123	N	96.7	Very high	98.1	Very high	141 Å²	141	56.9 Å²	56.9	75%	0.754	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.6	-175.1	-60.9	-65.7	0	0	0	112.4	A119 S120 K121 P125	A119-N123 PolarHBondContact O-N 2.98Å; S120-N123 PolarHBondContact O-N 2.69Å; K121-N123 VanDerWaalsContact C-N 3.32Å; N123-P125 VanDerWaalsContact C-CD 3.41Å; N123-P125 WeakPolarHBondContact O-CD 3.46Å
124	D	97	Very high	98	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	30%	0.304	C	S	.	.			trans	-105	79	176.6	-165.8	-23.2	0	0	0	110.7	R74 A119 N122 A126 L127 A128	R74-D124 IonicContact CZ-OD1 2.85Å; R74-D124 IonicContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact CZ-OD2 3.31Å; R74-D124 IonicContact NH1-OD1 2.96Å; R74-D124 PolarHBondContact NH1-OD1 2.87Å; R74-D124 IonicContact NH1-OD2 2.99Å; R74-D124 PolarHBondContact NH1-OD2 3.42Å; R74-D124 IonicContact NH2-OD1 3.83Å; R74-D124 PolarHBondContact NH2-OD1 2.74Å; R74-D124 IonicContact NH2-OD2 2.77Å; R74-D124 PolarHBondContact NH2-OD2 3Å; A119-D124 PolarHBondContact O-N 2.99Å; N122-D124 VanDerWaalsContact C-N 3.28Å; N122-D124 PolarHBondContact O-N 3.31Å; D124-A126 PolarHBondContact O-N 2.91Å; D124-A126 PolarHBondContact OD1-N 3.21Å; D124-L127 HydrophobicContact CB-CB 4.13Å; D124-L127 PolarHBondContact O-N 2.94Å; D124-L127 VanDerWaalsContact O-N 3.17Å; D124-L127 PolarHBondContact OD1-N 3.2Å; D124-A128 PolarHBondContact O-N 3.4Å
125	P	96.7	Very high	98	Very high	102 Å²	102	52.8 Å²	52.8	66%	0.662	29%	0.288	S	S	*	.	H	α-helix	trans	-64.5	-26.3	-177.6	26.9	-35.9	0	0	0	112.4	N123 L127 A128 D129	N123-P125 VanDerWaalsContact C-CD 3.41Å; N123-P125 WeakPolarHBondContact O-CD 3.46Å; P125-L127 VanDerWaalsContact C-N 3.35Å; P125-A128 PolarHBondContact O-N 2.91Å; P125-D129 WeakPolarHBondContact O-CB 3.18Å; P125-D129 PolarHBondContact O-N 3.39Å
126	A	96.4	Very high	98	Very high	51 Å²	51	53.8 Å²	53.8	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-73.2	-28.8	178.6	0	0	0	0	0	112.3	Y70 D124 F130	Y70-A126 PolarHBondContact OH-O 3.4Å; D124-A126 PolarHBondContact O-N 2.91Å; D124-A126 PolarHBondContact OD1-N 3.21Å; A126-F130 WeakPolarHBondContact O-CB 3.19Å; A126-F130 PolarHBondContact O-N 3.05Å
127	L	97.8	Very high	97.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-78.8	-42.5	171	175.3	57.6	0	0	0	110.9	C14 I18 Y70 A119 D124 P125 D129 F130 I131	C14-L127 HydrophobicContact CB-CD2 3.68Å; I18-L127 HydrophobicContact CD1-CD1 3.84Å; I18-L127 HydrophobicContact CD1-CD2 4.06Å; I18-L127 HydrophobicContact CG1-CD1 4.21Å; I18-L127 HydrophobicContact CG1-CD2 4.49Å; Y70-L127 HydrophobicContact CD1-CD1 4.25Å; Y70-L127 HydrophobicContact CE1-CB 4.43Å; Y70-L127 HydrophobicContact CE1-CD1 3.63Å; Y70-L127 VanDerWaalsContact OH-CA 3.24Å; Y70-L127 WeakPolarHBondContact OH-CA 3.34Å; Y70-L127 PolarHBondContact OH-N 3.02Å; A119-L127 HydrophobicContact CB-CB 3.97Å; A119-L127 HydrophobicContact CB-CD2 3.75Å; A119-L127 HydrophobicContact CB-CG 3.67Å; D124-L127 HydrophobicContact CB-CB 4.13Å; D124-L127 PolarHBondContact O-N 2.94Å; D124-L127 VanDerWaalsContact O-N 3.17Å; D124-L127 PolarHBondContact OD1-N 3.2Å; P125-L127 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.49Å; L127-F130 HydrophobicContact CD1-CD1 4.26Å; L127-F130 PolarHBondContact O-N 3.22Å; L127-I131 HydrophobicContact CD1-CD1 3.75Å; L127-I131 HydrophobicContact CD1-CG1 3.98Å; L127-I131 HydrophobicContact CG-CD1 3.76Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.15Å
128	A	98.4	Very high	97.8	Very high	9 Å²	9	53.6 Å²	53.6	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-51.7	175.7	0	0	0	0	0	111.6	A119 D124 P125 F130 I131 E132	A119-A128 HydrophobicContact CB-CB 4.29Å; D124-A128 PolarHBondContact O-N 3.4Å; P125-A128 PolarHBondContact O-N 2.91Å; A128-F130 VanDerWaalsContact C-N 3.32Å; A128-F130 PolarHBondContact O-N 3.22Å; A128-I131 PolarHBondContact O-N 3.11Å; A128-I131 VanDerWaalsContact O-N 3.14Å; A128-E132 WeakPolarHBondContact O-CG 3.48Å; A128-E132 PolarHBondContact O-N 2.91Å
129	D	98.3	Very high	97.8	Very high	101 Å²	101	52.4 Å²	52.4	54%	0.54	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-41.2	177	176.4	75.5	0	0	0	112.5	P125 L127 E132 S133	P125-D129 WeakPolarHBondContact O-CB 3.18Å; P125-D129 PolarHBondContact O-N 3.39Å; L127-D129 PolarHBondContact O-N 3.49Å; D129-E132 PolarHBondContact O-N 3Å; D129-S133 VanDerWaalsContact O-CB 3.3Å; D129-S133 WeakPolarHBondContact O-CB 3.34Å; D129-S133 PolarHBondContact O-N 3.2Å; D129-S133 PolarHBondContact O-OG 2.86Å
130	F	98.5	Very high	97.8	Very high	24 Å²	24	58.1 Å²	58.1	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-42.8	176.2	172.5	-107.7	0	0	0	112.3	K66 L67 Y70 A126 L127 A128 E134 F135	K66-F130 HydrophobicContact CD-CE2 4.42Å; K66-F130 HydrophobicContact CD-CZ 4.43Å; K66-F130 HydrophobicContact CG-CE2 4.33Å; K66-F130 HydrophobicContact CG-CZ 4.14Å; L67-F130 HydrophobicContact CD2-CE1 4.11Å; Y70-F130 VanDerWaalsContact CB-CZ 3.42Å; Y70-F130 AromaticContact CD1-CD1 3.89Å; Y70-F130 HydrophobicContact CD1-CD1 3.89Å; Y70-F130 AromaticContact CD1-CE1 3.94Å; Y70-F130 HydrophobicContact CD1-CE1 3.94Å; Y70-F130 HydrophobicContact CD1-CG 4.5Å; Y70-F130 HydrophobicContact CD2-CB 4.09Å; Y70-F130 AromaticContact CD2-CD1 3.53Å; Y70-F130 HydrophobicContact CD2-CD1 3.53Å; Y70-F130 AromaticContact CD2-CD2 3.42Å; Y70-F130 HydrophobicContact CD2-CD2 3.42Å; Y70-F130 VanDerWaalsContact CD2-CD2 3.42Å; Y70-F130 AromaticContact CD2-CE1 3.69Å; Y70-F130 HydrophobicContact CD2-CE1 3.69Å; Y70-F130 AromaticContact CD2-CE2 3.6Å; Y70-F130 HydrophobicContact CD2-CE2 3.6Å; Y70-F130 AromaticContact CD2-CG 3.38Å; Y70-F130 HydrophobicContact CD2-CG 3.38Å; Y70-F130 AromaticContact CD2-CZ 3.72Å; Y70-F130 HydrophobicContact CD2-CZ 3.72Å; Y70-F130 HydrophobicContact CE1-CD1 4.13Å; Y70-F130 HydrophobicContact CE2-CB 3.52Å; Y70-F130 AromaticContact CE2-CD1 3.75Å; Y70-F130 HydrophobicContact CE2-CD1 3.75Å; Y70-F130 AromaticContact CE2-CD2 3.74Å; Y70-F130 HydrophobicContact CE2-CD2 3.74Å; Y70-F130 HydrophobicContact CE2-CE1 4.37Å; Y70-F130 HydrophobicContact CE2-CE2 4.37Å; Y70-F130 AromaticContact CE2-CG 3.37Å; Y70-F130 HydrophobicContact CE2-CG 3.37Å; Y70-F130 AromaticContact CG-CD1 3.59Å; Y70-F130 HydrophobicContact CG-CD1 3.59Å; Y70-F130 HydrophobicContact CG-CD2 4.2Å; Y70-F130 AromaticContact CG-CE1 3.42Å; Y70-F130 HydrophobicContact CG-CE1 3.42Å; Y70-F130 VanDerWaalsContact CG-CE1 3.42Å; Y70-F130 HydrophobicContact CG-CE2 4.06Å; Y70-F130 AromaticContact CG-CG 3.97Å; Y70-F130 HydrophobicContact CG-CG 3.97Å; Y70-F130 AromaticContact CG-CZ 3.68Å; Y70-F130 HydrophobicContact CG-CZ 3.68Å; Y70-F130 AromaticContact CZ-CG 3.99Å; A126-F130 WeakPolarHBondContact O-CB 3.19Å; A126-F130 PolarHBondContact O-N 3.05Å; L127-F130 HydrophobicContact CD1-CD1 4.26Å; L127-F130 PolarHBondContact O-N 3.22Å; A128-F130 VanDerWaalsContact C-N 3.32Å; A128-F130 PolarHBondContact O-N 3.22Å; F130-E134 HydrophobicContact CD2-CB 4.29Å; F130-E134 HydrophobicContact CD2-CG 3.71Å; F130-E134 HydrophobicContact CE2-CB 4.16Å; F130-E134 HydrophobicContact CE2-CG 3.75Å; F130-E134 VanDerWaalsContact O-CB 3.23Å; F130-E134 WeakPolarHBondContact O-CB 3.47Å; F130-E134 PolarHBondContact O-N 2.84Å; F130-E134 VanDerWaalsContact O-N 3.09Å; F130-F135 HydrophobicContact CD1-CE2 4.19Å; F130-F135 AromaticContact CE1-CE2 3.53Å; F130-F135 HydrophobicContact CE1-CE2 3.53Å; F130-F135 HydrophobicContact CE1-CZ 4.16Å; F130-F135 HydrophobicContact CE2-CE2 4.19Å; F130-F135 AromaticContact CZ-CE2 3.53Å; F130-F135 HydrophobicContact CZ-CE2 3.53Å; F130-F135 AromaticContact CZ-CZ 3.98Å; F130-F135 HydrophobicContact CZ-CZ 3.98Å
131	I	98.7	Very high	97.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-44.1	178.3	-62.8	154	0	0	0	110.6	L112 L115 H116 A119 L127 A128 F135 L136	L112-I131 HydrophobicContact CB-CG2 4.47Å; L112-I131 HydrophobicContact CD2-CG2 4.36Å; L115-I131 HydrophobicContact CB-CD1 4.45Å; L115-I131 HydrophobicContact CD1-CD1 4.48Å; L115-I131 HydrophobicContact CD2-CD1 3.97Å; L115-I131 HydrophobicContact CD2-CG1 4.07Å; L115-I131 HydrophobicContact CG-CD1 3.61Å; L115-I131 HydrophobicContact CG-CG1 4.26Å; H116-I131 HydrophobicContact CB-CD1 4.33Å; H116-I131 HydrophobicContact CB-CG2 4.24Å; A119-I131 HydrophobicContact CB-CD1 4.35Å; L127-I131 HydrophobicContact CD1-CD1 3.75Å; L127-I131 HydrophobicContact CD1-CG1 3.98Å; L127-I131 HydrophobicContact CG-CD1 3.76Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.32Å; L127-I131 PolarHBondContact O-N 3.15Å; A128-I131 PolarHBondContact O-N 3.11Å; A128-I131 VanDerWaalsContact O-N 3.14Å; I131-F135 PolarHBondContact O-N 3.02Å; I131-L136 HydrophobicContact CG2-CD1 4.29Å; I131-L136 HydrophobicContact CG2-CD2 4.28Å; I131-L136 HydrophobicContact CG2-CG 3.99Å; I131-L136 PolarHBondContact O-N 3.19Å
132	E	98.4	Very high	97.8	Very high	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.302	S	S	.	.	I	π-helix	trans	-60.5	-53.7	178.5	-71.5	169.8	-160.4	0	0	111.6	H116 A128 D129 L136 H137	H116-E132 IonicContact CD2-OE1 3.32Å; H116-E132 IonicContact CE1-OE1 2.69Å; H116-E132 IonicContact NE2-OE1 2.57Å; H116-E132 PolarHBondContact NE2-OE1 3Å; A128-E132 WeakPolarHBondContact O-CG 3.48Å; A128-E132 PolarHBondContact O-N 2.91Å; D129-E132 PolarHBondContact O-N 3Å; E132-L136 HydrophobicContact CG-CD1 4.09Å; E132-H137 PolarHBondContact O-CD2 2.96Å
133	S	97.9	Very high	97.8	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	30%	0.299	S	S	.	.	I	π-helix	trans	-73.6	-34	-172.6	56.2	0	0	0	0	114.2	D129	D129-S133 VanDerWaalsContact O-CB 3.3Å; D129-S133 WeakPolarHBondContact O-CB 3.34Å; D129-S133 PolarHBondContact O-N 3.2Å; D129-S133 PolarHBondContact O-OG 2.86Å
134	E	98.1	Very high	97.9	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	29%	0.286	S	S	.	.	I	π-helix	trans	-104.2	-9.2	-170.6	-64.2	-72.8	159.4	0	0	114.7	K66 F130	K66-E134 HydrophobicContact CD-CB 3.85Å; K66-E134 HydrophobicContact CD-CG 4.23Å; K66-E134 WeakPolarHBondContact CD-OE2 3.4Å; K66-E134 WeakPolarHBondContact CE-OE2 3.41Å; K66-E134 PolarHBondContact NZ-O 3.42Å; K66-E134 IonicContact NZ-OE2 3.53Å; K66-E134 PolarHBondContact NZ-OE2 2.96Å; F130-E134 HydrophobicContact CD2-CB 4.29Å; F130-E134 HydrophobicContact CD2-CG 3.71Å; F130-E134 HydrophobicContact CE2-CB 4.16Å; F130-E134 HydrophobicContact CE2-CG 3.75Å; F130-E134 VanDerWaalsContact O-CB 3.23Å; F130-E134 WeakPolarHBondContact O-CB 3.47Å; F130-E134 PolarHBondContact O-N 2.84Å; F130-E134 VanDerWaalsContact O-N 3.09Å
135	F	98.7	Very high	98	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-141.2	-46.6	-174.7	-56.8	-94	0	0	0	113.9	H63 K66 L67 L112 F130 I131 H137 E138 Q139	H63-F135 HydrophobicContact CB-CD1 4.49Å; H63-F135 HydrophobicContact CB-CE1 3.97Å; K66-F135 HydrophobicContact CB-CZ 4.09Å; K66-F135 HydrophobicContact CD-CE1 4.35Å; K66-F135 HydrophobicContact CD-CE2 4.07Å; K66-F135 HydrophobicContact CD-CZ 3.7Å; K66-F135 HydrophobicContact CG-CZ 4.13Å; L67-F135 HydrophobicContact CD1-CE1 4.25Å; L67-F135 HydrophobicContact CD1-CZ 4.39Å; L67-F135 HydrophobicContact CD2-CE1 4.44Å; L67-F135 HydrophobicContact CD2-CE2 4.2Å; L67-F135 HydrophobicContact CD2-CZ 3.87Å; L67-F135 HydrophobicContact CG-CE1 3.99Å; L67-F135 HydrophobicContact CG-CE2 4.45Å; L67-F135 HydrophobicContact CG-CZ 3.64Å; L112-F135 HydrophobicContact CD1-CB 3.84Å; L112-F135 HydrophobicContact CD2-CB 4.02Å; L112-F135 HydrophobicContact CD2-CD1 4.33Å; L112-F135 HydrophobicContact CD2-CG 4.13Å; F130-F135 HydrophobicContact CD1-CE2 4.19Å; F130-F135 AromaticContact CE1-CE2 3.53Å; F130-F135 HydrophobicContact CE1-CE2 3.53Å; F130-F135 HydrophobicContact CE1-CZ 4.16Å; F130-F135 HydrophobicContact CE2-CE2 4.19Å; F130-F135 AromaticContact CZ-CE2 3.53Å; F130-F135 HydrophobicContact CZ-CE2 3.53Å; F130-F135 AromaticContact CZ-CZ 3.98Å; F130-F135 HydrophobicContact CZ-CZ 3.98Å; I131-F135 PolarHBondContact O-N 3.02Å; F135-H137 PolarHBondContact O-N 3.23Å; F135-E138 WeakPolarHBondContact O-CB 3.39Å; F135-E138 PolarHBondContact O-N 3.08Å; F135-Q139 WeakPolarHBondContact O-CG 3.5Å; F135-Q139 PolarHBondContact O-N 3.37Å
136	L	98.3	Very high	98.1	Very high	24 Å²	24	51.3 Å²	51.3	13%	0.126	27%	0.266	C	S	.	.	I	π-helix	trans	-64.9	-40.5	-170.4	-67.8	-176.2	0	0	0	113.1	L112 L113 I131 E132 E138 Q139 E140	L112-L136 HydrophobicContact CB-CD2 3.79Å; L113-L136 HydrophobicContact CD2-CD1 4.2Å; L113-L136 HydrophobicContact CD2-CD2 4.1Å; L113-L136 HydrophobicContact CG-CD2 4.44Å; I131-L136 HydrophobicContact CG2-CD1 4.29Å; I131-L136 HydrophobicContact CG2-CD2 4.28Å; I131-L136 HydrophobicContact CG2-CG 3.99Å; I131-L136 PolarHBondContact O-N 3.19Å; E132-L136 HydrophobicContact CG-CD1 4.09Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-Q139 PolarHBondContact O-N 3.27Å; L136-E140 WeakPolarHBondContact O-CG 3.31Å; L136-E140 PolarHBondContact O-N 2.83Å
137	H	96.9	Very high	98.2	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-41.1	174.9	-68.7	-47.7	0	0	0	112.4	E132 F135 E140 D141	E132-H137 PolarHBondContact O-CD2 2.96Å; F135-H137 PolarHBondContact O-N 3.23Å; H137-E140 IonicContact ND1-OE2 3.63Å; H137-E140 WeakPolarHBondContact O-CB 3.33Å; H137-E140 PolarHBondContact O-N 3.09Å; H137-D141 PolarHBondContact O-N 3.28Å; H137-D141 VanDerWaalsContact O-N 3.11Å
138	E	97.2	Very high	98.2	Very high	59 Å²	59	53.2 Å²	53.2	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-42.1	177.4	-173.4	164.2	-165.5	0	0	111.4	H63 F135 L136 E140 D141 A142	H63-E138 IonicContact CE1-OE1 2.87Å; H63-E138 VanDerWaalsContact NE2-CD 3.29Å; H63-E138 IonicContact NE2-OE1 3.31Å; H63-E138 PolarHBondContact NE2-OE1 3.44Å; H63-E138 VanDerWaalsContact NE2-OE1 3.12Å; H63-E138 IonicContact NE2-OE2 2.84Å; H63-E138 PolarHBondContact NE2-OE2 3.12Å; F135-E138 WeakPolarHBondContact O-CB 3.39Å; F135-E138 PolarHBondContact O-N 3.08Å; L136-E138 VanDerWaalsContact C-N 3.35Å; E138-E140 VanDerWaalsContact C-N 3.34Å; E138-E140 PolarHBondContact O-N 3.35Å; E138-D141 PolarHBondContact O-N 2.9Å; E138-A142 WeakPolarHBondContact O-CB 3.22Å; E138-A142 PolarHBondContact O-N 3.48Å
139	Q	97.4	Very high	98.2	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-36.1	173.4	-69.7	-47.6	112.4	0	0	113.2	E105 L112 F135 L136 D141 I143	E105-Q139 PolarHBondContact O-NE2 2.92Å; E105-Q139 PolarHBondContact OE2-NE2 3.47Å; L112-Q139 HydrophobicContact CD1-CG 3.51Å; F135-Q139 WeakPolarHBondContact O-CG 3.5Å; F135-Q139 PolarHBondContact O-N 3.37Å; L136-Q139 PolarHBondContact O-N 3.27Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; Q139-I143 VanDerWaalsContact O-CB 3.3Å; Q139-I143 WeakPolarHBondContact O-CB 3.45Å; Q139-I143 WeakPolarHBondContact O-CD1 3.45Å; Q139-I143 WeakPolarHBondContact O-CG1 3.33Å; Q139-I143 PolarHBondContact O-N 3.13Å
140	E	98.1	Very high	98.2	Very high	121 Å²	121	49.8 Å²	49.8	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-43.6	175.8	-74	176.3	162.7	0	0	110.9	L136 H137 E138 K144	L136-E140 WeakPolarHBondContact O-CG 3.31Å; L136-E140 PolarHBondContact O-N 2.83Å; H137-E140 IonicContact ND1-OE2 3.63Å; H137-E140 WeakPolarHBondContact O-CB 3.33Å; H137-E140 PolarHBondContact O-N 3.09Å; E138-E140 VanDerWaalsContact C-N 3.34Å; E138-E140 PolarHBondContact O-N 3.35Å; E140-K144 WeakPolarHBondContact O-CB 3.4Å; E140-K144 PolarHBondContact O-N 3.34Å
141	D	98.1	Very high	98.3	Very high	120 Å²	120	51.4 Å²	51.4	64%	0.642	26%	0.264	S	S	*	.	H	α-helix	trans	-66.8	-45.6	177.1	-73	-22.5	0	0	0	111.6	H137 E138 Q139 K144 Q145	H137-D141 PolarHBondContact O-N 3.28Å; H137-D141 VanDerWaalsContact O-N 3.11Å; E138-D141 PolarHBondContact O-N 2.9Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 PolarHBondContact O-N 2.88Å; D141-Q145 WeakPolarHBondContact O-CB 3.3Å; D141-Q145 PolarHBondContact O-N 3.37Å
142	A	97.9	Very high	98.2	Very high	19 Å²	19	54.9 Å²	54.9	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-46.4	177.2	0	0	0	0	0	112	E105 E138 K144 Q145 F146	E105-A142 HydrophobicContact CG-CB 4.23Å; E138-A142 WeakPolarHBondContact O-CB 3.22Å; E138-A142 PolarHBondContact O-N 3.48Å; A142-K144 VanDerWaalsContact C-N 3.28Å; A142-K144 PolarHBondContact O-N 2.77Å; A142-Q145 PolarHBondContact O-N 2.81Å; A142-F146 WeakPolarHBondContact O-CD2 3.3Å; A142-F146 PolarHBondContact O-N 3Å
143	I	98.7	Very high	98.2	Very high	38 Å²	38	51 Å²	51	20%	0.195	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-41.3	176.3	-72.2	168.2	0	0	0	110.6	L102 E105 K106 Q139 A147	L102-I143 HydrophobicContact CD1-CG2 4.07Å; L102-I143 WeakPolarHBondContact CD1-O 3.42Å; E105-I143 HydrophobicContact CB-CG1 3.83Å; K106-I143 HydrophobicContact CG-CD1 4.05Å; K106-I143 HydrophobicContact CG-CG1 4.14Å; K106-I143 HydrophobicContact CG-CG2 4.39Å; Q139-I143 VanDerWaalsContact O-CB 3.3Å; Q139-I143 WeakPolarHBondContact O-CB 3.45Å; Q139-I143 WeakPolarHBondContact O-CD1 3.45Å; Q139-I143 WeakPolarHBondContact O-CG1 3.33Å; Q139-I143 PolarHBondContact O-N 3.13Å; I143-A147 VanDerWaalsContact O-CB 3.25Å; I143-A147 WeakPolarHBondContact O-CB 3.46Å; I143-A147 PolarHBondContact O-N 3.39Å
144	K	98.7	Very high	98.3	Very high	114 Å²	114	53 Å²	53	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-46.6	177.4	179.7	60	170.7	74.4	0	111.3	E140 D141 A142 A147 D148	E140-K144 WeakPolarHBondContact O-CB 3.4Å; E140-K144 PolarHBondContact O-N 3.34Å; D141-K144 WeakPolarHBondContact O-CB 3.45Å; D141-K144 PolarHBondContact O-N 2.88Å; A142-K144 VanDerWaalsContact C-N 3.28Å; A142-K144 PolarHBondContact O-N 2.77Å; K144-A147 PolarHBondContact O-N 3.1Å; K144-D148 IonicContact NZ-OD1 3.68Å; K144-D148 PolarHBondContact NZ-OD1 3.37Å; K144-D148 IonicContact NZ-OD2 3.49Å; K144-D148 PolarHBondContact NZ-OD2 2.68Å; K144-D148 PolarHBondContact O-N 2.9Å
145	Q	98.3	Very high	98.3	Very high	55 Å²	55	58.8 Å²	58.8	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-50.2	179.8	-171.8	-175.7	45.7	0	0	111.3	D141 A142 A147 D148 Y149	D141-Q145 WeakPolarHBondContact O-CB 3.3Å; D141-Q145 PolarHBondContact O-N 3.37Å; A142-Q145 PolarHBondContact O-N 2.81Å; Q145-A147 VanDerWaalsContact C-N 3.33Å; Q145-A147 PolarHBondContact O-N 2.86Å; Q145-D148 WeakPolarHBondContact O-CB 3.28Å; Q145-D148 PolarHBondContact O-N 2.92Å; Q145-Y149 HydrophobicContact CG-CD2 4.15Å; Q145-Y149 HydrophobicContact CG-CE1 4.3Å; Q145-Y149 HydrophobicContact CG-CE2 3.66Å; Q145-Y149 PolarHBondContact NE2-OH 3.18Å; Q145-Y149 PolarHBondContact O-N 3.33Å
146	F	98.6	Very high	98.2	Very high	6 Å²	6	62 Å²	62	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-31.8	178.8	-78.8	-66.9	0	0	0	113.4	Y32 F52 F53 M98 A101 L102 E105 A142 L150	Y32-F146 HydrophobicContact CE1-CZ 4.39Å; F52-F146 AromaticContact CE1-CE1 3.68Å; F52-F146 HydrophobicContact CE1-CE1 3.68Å; F52-F146 AromaticContact CE1-CZ 3.71Å; F52-F146 HydrophobicContact CE1-CZ 3.71Å; F52-F146 HydrophobicContact CZ-CE1 4.08Å; F52-F146 AromaticContact CZ-CZ 3.94Å; F52-F146 HydrophobicContact CZ-CZ 3.94Å; F53-F146 AromaticContact CE1-CE1 3.86Å; F53-F146 HydrophobicContact CE1-CE1 3.86Å; F53-F146 HydrophobicContact CE1-CZ 4.16Å; F53-F146 HydrophobicContact CZ-CE1 4.34Å; M98-F146 HydrophobicContact SD-CD1 3.84Å; M98-F146 HydrophobicContact SD-CE1 3.96Å; A101-F146 HydrophobicContact CB-CD1 3.57Å; A101-F146 HydrophobicContact CB-CD2 4.46Å; A101-F146 HydrophobicContact CB-CE1 3.35Å; A101-F146 HydrophobicContact CB-CE2 4.27Å; A101-F146 HydrophobicContact CB-CG 4.13Å; A101-F146 HydrophobicContact CB-CZ 3.73Å; L102-F146 HydrophobicContact CB-CB 3.98Å; L102-F146 HydrophobicContact CD1-CB 4.03Å; E105-F146 HydrophobicContact CG-CD2 3.61Å; E105-F146 HydrophobicContact CG-CE2 3.79Å; A142-F146 WeakPolarHBondContact O-CD2 3.3Å; A142-F146 PolarHBondContact O-N 3Å; F146-L150 VanDerWaalsContact O-CB 3.3Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.21Å
147	A	98.8	Very high	98.1	Very high	30 Å²	30	62.2 Å²	62.2	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-37.9	173.4	0	0	0	0	0	112.3	L102 I143 K144 Q145 T151	L102-A147 HydrophobicContact CD1-CB 4.19Å; L102-A147 HydrophobicContact CD2-CB 4.25Å; I143-A147 VanDerWaalsContact O-CB 3.25Å; I143-A147 WeakPolarHBondContact O-CB 3.46Å; I143-A147 PolarHBondContact O-N 3.39Å; K144-A147 PolarHBondContact O-N 3.1Å; Q145-A147 VanDerWaalsContact C-N 3.33Å; Q145-A147 PolarHBondContact O-N 2.86Å; A147-T151 PolarHBondContact O-N 3.1Å; A147-T151 VanDerWaalsContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 3.31Å
148	D	98.7	Very high	98	Very high	61 Å²	61	63.2 Å²	63.2	33%	0.326	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-49.4	173.4	-70.5	-16.3	0	0	0	110.7	K144 Q145 L150 T151 E152	K144-D148 IonicContact NZ-OD1 3.68Å; K144-D148 PolarHBondContact NZ-OD1 3.37Å; K144-D148 IonicContact NZ-OD2 3.49Å; K144-D148 PolarHBondContact NZ-OD2 2.68Å; K144-D148 PolarHBondContact O-N 2.9Å; Q145-D148 WeakPolarHBondContact O-CB 3.28Å; Q145-D148 PolarHBondContact O-N 2.92Å; D148-L150 VanDerWaalsContact C-N 3.31Å; D148-L150 PolarHBondContact O-N 3.35Å; D148-T151 CarbonylContact O-C 3.59Å; D148-T151 WeakPolarHBondContact O-CA 3.38Å; D148-T151 WeakPolarHBondContact O-CB 3.5Å; D148-T151 PolarHBondContact O-N 3.12Å; D148-E152 WeakPolarHBondContact O-CG 3.18Å; D148-E152 PolarHBondContact O-N 3.17Å
149	Y	98.6	Very high	97.9	Very high	18 Å²	18	62.8 Å²	62.8	7%	0.071	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-38.1	178.4	-70.8	-9.5	0	0	0	112.9	F52 M98 Q145 T151 E152 T153 F165 T169 L170	F52-Y149 HydrophobicContact CE2-CE2 4.03Å; F52-Y149 HydrophobicContact CZ-CD2 4.47Å; F52-Y149 AromaticContact CZ-CE2 3.91Å; F52-Y149 HydrophobicContact CZ-CE2 3.91Å; M98-Y149 HydrophobicContact SD-CD2 3.89Å; M98-Y149 HydrophobicContact SD-CG 4.3Å; Q145-Y149 HydrophobicContact CG-CD2 4.15Å; Q145-Y149 HydrophobicContact CG-CE1 4.3Å; Q145-Y149 HydrophobicContact CG-CE2 3.66Å; Q145-Y149 PolarHBondContact NE2-OH 3.18Å; Q145-Y149 PolarHBondContact O-N 3.33Å; Y149-T151 VanDerWaalsContact C-N 3.34Å; Y149-E152 PolarHBondContact O-N 3.27Å; Y149-T153 WeakPolarHBondContact O-CB 3.43Å; Y149-T153 VanDerWaalsContact O-CG2 3.31Å; Y149-T153 WeakPolarHBondContact O-CG2 3.41Å; Y149-T153 PolarHBondContact O-N 2.98Å; Y149-T153 PolarHBondContact O-OG1 2.81Å; Y149-F165 HydrophobicContact CD1-CE2 4.19Å; Y149-F165 AromaticContact CD1-CZ 3.85Å; Y149-F165 HydrophobicContact CD1-CZ 3.85Å; Y149-F165 HydrophobicContact CD2-CZ 4.36Å; Y149-F165 HydrophobicContact CG-CE2 4.46Å; Y149-F165 AromaticContact CG-CZ 3.77Å; Y149-F165 HydrophobicContact CG-CZ 3.77Å; Y149-T169 HydrophobicContact CD1-CG2 3.98Å; Y149-T169 HydrophobicContact CE1-CG2 3.5Å; Y149-L170 HydrophobicContact CD2-CD2 4.13Å; Y149-L170 HydrophobicContact CE2-CD2 3.69Å
150	L	98.7	Very high	98	Very high	20 Å²	20	68.7 Å²	68.7	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-45.7	171.6	178.2	56.1	0	0	0	111.4	E95 M98 N99 L102 F146 D148 E152 T153 Q154	E95-L150 HydrophobicContact CG-CD1 3.74Å; M98-L150 HydrophobicContact CB-CB 4.26Å; N99-L150 HydrophobicContact CB-CD1 3.77Å; N99-L150 HydrophobicContact CB-CD2 4.15Å; L102-L150 HydrophobicContact CD2-CD2 3.89Å; F146-L150 VanDerWaalsContact O-CB 3.3Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.21Å; D148-L150 VanDerWaalsContact C-N 3.31Å; D148-L150 PolarHBondContact O-N 3.35Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.87Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-OG1 3.33Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.45Å; L150-Q154 PolarHBondContact O-N 2.91Å; L150-Q154 VanDerWaalsContact O-N 3.14Å
151	T	98.7	Very high	97.9	Very high	57 Å²	57	63.4 Å²	63.4	35%	0.35	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-39.1	178.3	-59.2	0	0	0	0	111.8	A147 D148 Y149 R155	A147-T151 PolarHBondContact O-N 3.1Å; A147-T151 VanDerWaalsContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 3.31Å; D148-T151 CarbonylContact O-C 3.59Å; D148-T151 WeakPolarHBondContact O-CA 3.38Å; D148-T151 WeakPolarHBondContact O-CB 3.5Å; D148-T151 PolarHBondContact O-N 3.12Å; Y149-T151 VanDerWaalsContact C-N 3.34Å; T151-R155 WeakPolarHBondContact O-CG 3.29Å; T151-R155 PolarHBondContact O-N 2.84Å; T151-R155 VanDerWaalsContact O-N 3.16Å
152	E	98.5	Very high	97.9	Very high	73 Å²	73	58.4 Å²	58.4	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-69.8	-45.6	179.3	-73.2	179	-174.7	0	0	112.3	D148 Y149 L150 Q154 R155 V156 F165 T169	D148-E152 WeakPolarHBondContact O-CG 3.18Å; D148-E152 PolarHBondContact O-N 3.17Å; Y149-E152 PolarHBondContact O-N 3.27Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.87Å; E152-Q154 VanDerWaalsContact C-N 3.27Å; E152-Q154 PolarHBondContact O-N 2.89Å; E152-R155 WeakPolarHBondContact O-CB 3.37Å; E152-R155 PolarHBondContact O-N 2.74Å; E152-V156 WeakPolarHBondContact O-CG2 3.5Å; E152-V156 PolarHBondContact O-N 3.45Å; E152-F165 HydrophobicContact CB-CD2 4.1Å; E152-F165 HydrophobicContact CB-CE2 3.73Å; E152-F165 WeakPolarHBondContact OE2-CE2 2.97Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.4Å
153	T	98.4	Very high	97.9	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-38.3	176.1	48.5	0	0	0	0	111.8	L94 E95 M98 Y149 L150 V156 G157 F165	L94-T153 HydrophobicContact CB-CG2 3.94Å; E95-T153 WeakPolarHBondContact CA-OG1 3.17Å; M98-T153 HydrophobicContact CG-CG2 4.15Å; Y149-T153 WeakPolarHBondContact O-CB 3.43Å; Y149-T153 VanDerWaalsContact O-CG2 3.31Å; Y149-T153 WeakPolarHBondContact O-CG2 3.41Å; Y149-T153 PolarHBondContact O-N 2.98Å; Y149-T153 PolarHBondContact O-OG1 2.81Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-OG1 3.33Å; T153-V156 WeakPolarHBondContact O-CG2 3.46Å; T153-G157 PolarHBondContact O-N 2.83Å; T153-F165 HydrophobicContact CG2-CD1 3.95Å; T153-F165 HydrophobicContact CG2-CD2 3.98Å; T153-F165 HydrophobicContact CG2-CE1 3.88Å; T153-F165 HydrophobicContact CG2-CE2 3.91Å; T153-F165 HydrophobicContact CG2-CG 4Å; T153-F165 HydrophobicContact CG2-CZ 3.87Å
154	Q	98.3	Very high	97.9	Very high	104 Å²	104	65.2 Å²	65.2	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-39.4	171.2	-76.5	175	-10.1	0	0	113.4	E95 L150 E152	E95-Q154 HydrophobicContact CG-CG 3.81Å; E95-Q154 VanDerWaalsContact OE1-CG 3.23Å; E95-Q154 WeakPolarHBondContact OE1-CG 3.45Å; E95-Q154 PolarHBondContact OE1-NE2 3.25Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.45Å; L150-Q154 PolarHBondContact O-N 2.91Å; L150-Q154 VanDerWaalsContact O-N 3.14Å; E152-Q154 VanDerWaalsContact C-N 3.27Å; E152-Q154 PolarHBondContact O-N 2.89Å
155	R	98.4	Very high	97.8	Very high	201 Å²	201	60 Å²	60	76%	0.758	31%	0.309	S	S	*	.	H	α-helix	trans	-69.5	-41.3	179.7	-74.5	174.8	-160.1	-93.3	0.4	112.4	T151 E152	T151-R155 WeakPolarHBondContact O-CG 3.29Å; T151-R155 PolarHBondContact O-N 2.84Å; T151-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 WeakPolarHBondContact O-CB 3.37Å; E152-R155 PolarHBondContact O-N 2.74Å
156	V	97.8	Very high	97.8	Very high	68 Å²	68	57.4 Å²	57.4	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-79.2	-31.7	-175.9	-58.3	0	0	0	0	112.1	E152 T153 G161 F165	E152-V156 WeakPolarHBondContact O-CG2 3.5Å; E152-V156 PolarHBondContact O-N 3.45Å; T153-V156 WeakPolarHBondContact O-CG2 3.46Å; V156-G161 VanDerWaalsContact CG2-C 3.44Å; V156-G161 WeakPolarHBondContact CG2-O 3.34Å; V156-G161 WeakPolarHBondContact O-CA 3.3Å; V156-F165 HydrophobicContact CG2-CB 4.29Å
157	G	95.8	Very high	97.7	Very high	27 Å²	27	60 Å²	60	28%	0.278	31%	0.308	S	S	.	.			trans	68.4	177.1	-178.8	0	0	0	0	0	114.1	T153 G161 E162	T153-G157 PolarHBondContact O-N 2.83Å; G157-G161 CarbonylContact O-C 3.46Å; G157-G161 VanDerWaalsContact O-CA 3.3Å; G157-G161 WeakPolarHBondContact O-CA 3.23Å; G157-E162 PolarHBondContact O-N 3.04Å
158	K	95.3	Very high	97.6	Very high	134 Å²	134	64.4 Å²	64.4	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	159.7	-172.8	-60.3	-165.7	-179.2	-154	0	114	S92 L160 E162	S92-K158 PolarHBondContact O-NZ 3.29Å; K158-L160 PolarHBondContact O-N 3.11Å; K158-E162 WeakPolarHBondContact CA-OE2 3.5Å
159	G	95.1	Very high	97.5	Very high	49 Å²	49	63.7 Å²	63.7	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-113.5	175.3	0	0	0	0	0	111.7	G161 Y163	G159-G161 PolarHBondContact O-N 3.39Å; G159-Y163 WeakPolarHBondContact O-CB 3.26Å; G159-Y163 PolarHBondContact O-N 2.98Å
160	L	97.6	Very high	97.4	Very high	127 Å²	127	63.1 Å²	63.1	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-35.3	-179.2	-179.2	60.9	0	0	0	112.1	K158 Y163 L164	K158-L160 PolarHBondContact O-N 3.11Å; L160-Y163 HydrophobicContact CD1-CD1 4.33Å; L160-Y163 PolarHBondContact O-N 3.47Å; L160-L164 HydrophobicContact CD1-CD1 4.29Å; L160-L164 HydrophobicContact CD1-CG 4.16Å; L160-L164 HydrophobicContact CG-CD1 4.16Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.16Å
161	G	97.8	Very high	96.2	Very high	10 Å²	10	66.1 Å²	66.1	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-56.1	-179.6	0	0	0	0	0	112.9	V156 G157 G159 Y163 L164 F165	V156-G161 VanDerWaalsContact CG2-C 3.44Å; V156-G161 WeakPolarHBondContact CG2-O 3.34Å; V156-G161 WeakPolarHBondContact O-CA 3.3Å; G157-G161 CarbonylContact O-C 3.46Å; G157-G161 VanDerWaalsContact O-CA 3.3Å; G157-G161 WeakPolarHBondContact O-CA 3.23Å; G159-G161 PolarHBondContact O-N 3.39Å; G161-Y163 VanDerWaalsContact C-N 3.29Å; G161-Y163 PolarHBondContact O-N 3.36Å; G161-L164 PolarHBondContact O-N 3.14Å; G161-L164 VanDerWaalsContact O-N 3.11Å; G161-F165 PolarHBondContact O-N 2.97Å
162	E	97.7	Very high	94.2	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.065	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-38.7	174.5	-74.2	178.6	137.7	0	0	112.9	F46 S93 L94 G157 K158 L164 F165 D166	F46-E162 HydrophobicContact CE1-CB 4.02Å; F46-E162 HydrophobicContact CZ-CB 3.96Å; S93-E162 VanDerWaalsContact CA-OE1 3.26Å; S93-E162 WeakPolarHBondContact CA-OE1 3.37Å; S93-E162 WeakPolarHBondContact CB-OE1 2.87Å; L94-E162 HydrophobicContact CB-CG 4.22Å; L94-E162 HydrophobicContact CD1-CB 3.88Å; L94-E162 HydrophobicContact CD1-CG 4.24Å; L94-E162 WeakPolarHBondContact CD1-O 3.47Å; L94-E162 HydrophobicContact CG-CB 4.44Å; L94-E162 HydrophobicContact CG-CG 4.44Å; L94-E162 PolarHBondContact N-OE1 3.01Å; G157-E162 PolarHBondContact O-N 3.04Å; K158-E162 WeakPolarHBondContact CA-OE2 3.5Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 2.96Å; E162-F165 PolarHBondContact O-N 3.49Å; E162-D166 PolarHBondContact O-N 2.98Å
163	Y	97.5	Very high	94	Very high	123 Å²	123	71.5 Å²	71.5	48%	0.482	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-45.7	173.5	175.8	-94.5	0	0	0	111.5	G159 L160 G161 K167	G159-Y163 WeakPolarHBondContact O-CB 3.26Å; G159-Y163 PolarHBondContact O-N 2.98Å; L160-Y163 HydrophobicContact CD1-CD1 4.33Å; L160-Y163 PolarHBondContact O-N 3.47Å; G161-Y163 VanDerWaalsContact C-N 3.29Å; G161-Y163 PolarHBondContact O-N 3.36Å; Y163-K167 HydrophobicContact CE1-CG 4.12Å; Y163-K167 HydrophobicContact CE2-CG 4.29Å; Y163-K167 VanDerWaalsContact O-CG 3.3Å; Y163-K167 WeakPolarHBondContact O-CG 3.45Å; Y163-K167 PolarHBondContact O-N 3.04Å; Y163-K167 VanDerWaalsContact O-N 3.1Å
164	L	97.7	Very high	93.8	Very high	77 Å²	77	75.2 Å²	75.2	40%	0.403	38%	0.38	S	S	.	.	H	α-helix	trans	-68.1	-36.7	176.9	-69.5	175.7	0	0	0	112.1	L160 G161 E162 K167 L168	L160-L164 HydrophobicContact CD1-CD1 4.29Å; L160-L164 HydrophobicContact CD1-CG 4.16Å; L160-L164 HydrophobicContact CG-CD1 4.16Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.16Å; G161-L164 PolarHBondContact O-N 3.14Å; G161-L164 VanDerWaalsContact O-N 3.11Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 2.96Å; L164-K167 PolarHBondContact O-N 3.46Å; L164-L168 HydrophobicContact CB-CD1 4.38Å; L164-L168 HydrophobicContact CD2-CD1 4.21Å; L164-L168 VanDerWaalsContact O-CB 3.22Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.48Å; L164-L168 PolarHBondContact O-N 2.77Å
165	F	98.2	Very high	93.5	Very high	5 Å²	5	73.6 Å²	73.6	2%	0.022	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-48.9	175.1	-178.2	-84.9	0	0	0	111.5	L94 M98 Y149 E152 T153 V156 G161 E162 K167 L168 T169 L170	L94-F165 HydrophobicContact CD1-CD1 3.89Å; M98-F165 HydrophobicContact CE-CE1 4.01Å; Y149-F165 HydrophobicContact CD1-CE2 4.19Å; Y149-F165 AromaticContact CD1-CZ 3.85Å; Y149-F165 HydrophobicContact CD1-CZ 3.85Å; Y149-F165 HydrophobicContact CD2-CZ 4.36Å; Y149-F165 HydrophobicContact CG-CE2 4.46Å; Y149-F165 AromaticContact CG-CZ 3.77Å; Y149-F165 HydrophobicContact CG-CZ 3.77Å; E152-F165 HydrophobicContact CB-CD2 4.1Å; E152-F165 HydrophobicContact CB-CE2 3.73Å; E152-F165 WeakPolarHBondContact OE2-CE2 2.97Å; T153-F165 HydrophobicContact CG2-CD1 3.95Å; T153-F165 HydrophobicContact CG2-CD2 3.98Å; T153-F165 HydrophobicContact CG2-CE1 3.88Å; T153-F165 HydrophobicContact CG2-CE2 3.91Å; T153-F165 HydrophobicContact CG2-CG 4Å; T153-F165 HydrophobicContact CG2-CZ 3.87Å; V156-F165 HydrophobicContact CG2-CB 4.29Å; G161-F165 PolarHBondContact O-N 2.97Å; E162-F165 PolarHBondContact O-N 3.49Å; F165-K167 VanDerWaalsContact C-N 3.29Å; F165-K167 PolarHBondContact O-N 3.03Å; F165-L168 PolarHBondContact O-N 3.33Å; F165-T169 HydrophobicContact CD2-CG2 4.17Å; F165-T169 HydrophobicContact CE2-CG2 3.64Å; F165-T169 HydrophobicContact CZ-CG2 3.88Å; F165-T169 WeakPolarHBondContact O-CB 3.48Å; F165-T169 PolarHBondContact O-N 3.27Å; F165-L170 HydrophobicContact CD1-CD1 4.22Å; F165-L170 HydrophobicContact CD1-CG 4.12Å; F165-L170 HydrophobicContact CE1-CD1 3.84Å; F165-L170 HydrophobicContact CE1-CD2 3.76Å; F165-L170 HydrophobicContact CE1-CG 3.63Å; F165-L170 HydrophobicContact CZ-CD2 4.15Å; F165-L170 HydrophobicContact CZ-CG 4.41Å; F165-L170 PolarHBondContact O-N 2.62Å
166	D	98.3	Very high	93.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-54.9	-46	173.9	176.2	81.5	0	0	0	110.8	F46 K48 A49 L94 E162	F46-D166 WeakPolarHBondContact CA-OD1 3.42Å; F46-D166 WeakPolarHBondContact CB-OD1 3.33Å; F46-D166 HydrophobicContact CD1-CB 3.69Å; F46-D166 HydrophobicContact CE1-CB 4.41Å; K48-D166 WeakPolarHBondContact CA-OD1 3.44Å; K48-D166 WeakPolarHBondContact CB-O 3.34Å; K48-D166 WeakPolarHBondContact CB-OD1 3.5Å; K48-D166 VanDerWaalsContact CG-O 3.23Å; K48-D166 WeakPolarHBondContact CG-O 3.43Å; K48-D166 PolarHBondContact N-OD1 3.16Å; A49-D166 PolarHBondContact N-OD1 3.05Å; L94-D166 HydrophobicContact CD1-CB 4.36Å; E162-D166 PolarHBondContact O-N 2.98Å
167	K	96.8	Very high	92.9	Very high	61 Å²	61	65.9 Å²	65.9	27%	0.265	35%	0.348	S	S	.	.	H	α-helix	trans	-78.2	-29.3	-175	-64.5	-56.2	174.3	-131.4	0	115.5	P47 Y163 L164 F165 N171	P47-K167 VanDerWaalsContact CG-NZ 3.3Å; Y163-K167 HydrophobicContact CE1-CG 4.12Å; Y163-K167 HydrophobicContact CE2-CG 4.29Å; Y163-K167 VanDerWaalsContact O-CG 3.3Å; Y163-K167 WeakPolarHBondContact O-CG 3.45Å; Y163-K167 PolarHBondContact O-N 3.04Å; Y163-K167 VanDerWaalsContact O-N 3.1Å; L164-K167 PolarHBondContact O-N 3.46Å; F165-K167 VanDerWaalsContact C-N 3.29Å; F165-K167 PolarHBondContact O-N 3.03Å; K167-N171 VanDerWaalsContact O-CG 3.29Å; K167-N171 PolarHBondContact O-ND2 3.05Å
168	L	96.2	Very high	92.7	Very high	122 Å²	122	68.5 Å²	68.5	64%	0.639	35%	0.353	S	S	*	.	H	α-helix	trans	-112.8	-31.6	-168.4	-58.2	-179.3	0	0	0	113.2	L164 F165	L164-L168 HydrophobicContact CB-CD1 4.38Å; L164-L168 HydrophobicContact CD2-CD1 4.21Å; L164-L168 VanDerWaalsContact O-CB 3.22Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.48Å; L164-L168 PolarHBondContact O-N 2.77Å; F165-L168 PolarHBondContact O-N 3.33Å
169	T	96.4	Very high	92.6	Very high	46 Å²	46	63.9 Å²	63.9	28%	0.282	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-49.2	-176	-55.7	0	0	0	0	111.8	Y149 E152 F165 N171	Y149-T169 HydrophobicContact CD1-CG2 3.98Å; Y149-T169 HydrophobicContact CE1-CG2 3.5Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.4Å; F165-T169 HydrophobicContact CD2-CG2 4.17Å; F165-T169 HydrophobicContact CE2-CG2 3.64Å; F165-T169 HydrophobicContact CZ-CG2 3.88Å; F165-T169 WeakPolarHBondContact O-CB 3.48Å; F165-T169 PolarHBondContact O-N 3.27Å; T169-N171 PolarHBondContact O-N 2.73Å
170	L	95.9	Very high	92.4	Very high	6 Å²	6	65 Å²	65	3%	0.031	32%	0.323	C	S	.	.	S	Bend	trans	-78.7	29.9	-176	-59.6	-179.1	0	0	0	113.6	K48 A49 F52 M98 Y149 F165 E172	K48-L170 HydrophobicContact CB-CB 3.98Å; A49-L170 HydrophobicContact CB-CD1 3.67Å; F52-L170 HydrophobicContact CD1-CD2 4.5Å; F52-L170 HydrophobicContact CD2-CD2 4.23Å; F52-L170 HydrophobicContact CG-CD2 4.2Å; M98-L170 HydrophobicContact CE-CD1 4.24Å; M98-L170 HydrophobicContact CE-CD2 4.31Å; Y149-L170 HydrophobicContact CD2-CD2 4.13Å; Y149-L170 HydrophobicContact CE2-CD2 3.69Å; F165-L170 HydrophobicContact CD1-CD1 4.22Å; F165-L170 HydrophobicContact CD1-CG 4.12Å; F165-L170 HydrophobicContact CE1-CD1 3.84Å; F165-L170 HydrophobicContact CE1-CD2 3.76Å; F165-L170 HydrophobicContact CE1-CG 3.63Å; F165-L170 HydrophobicContact CZ-CD2 4.15Å; F165-L170 HydrophobicContact CZ-CG 4.41Å; F165-L170 PolarHBondContact O-N 2.62Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.32Å
171	N	73.8	Confident	91.9	Very high	83 Å²	83	59.8 Å²	59.8	44%	0.444	30%	0.295	S	S	.	.			trans	-90.6	23.6	-168.2	-111.9	-5	0	0	0	115.1	K48 K167 T169	K48-N171 WeakPolarHBondContact CE-OD1 3.4Å; K48-N171 PolarHBondContact NZ-OD1 2.9Å; K167-N171 VanDerWaalsContact O-CG 3.29Å; K167-N171 PolarHBondContact O-ND2 3.05Å; T169-N171 PolarHBondContact O-N 2.73Å
172	E	57	Low	91.4	Very high	171 Å²	171	64.4 Å²	64.4	80%	0.799	31%	0.312	S	S	*	.			trans	-77	0	176.2	-61.3	-174.9	176.9	0	0	113.3	K55 L170	K55-E172 VanDerWaalsContact NZ-C 3.29Å; K55-E172 PolarHBondContact NZ-O 3.45Å; K55-E172 PolarHBondContact NZ-OXT 2.84Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.32Å

Retrieved 172 of 172 residues in 131 ms (Link to these results)

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