A0A077Z9L3_TRITR Loading...

Ferritin

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

AlphaFold DB , UniProt , Accession A0A077Z9L3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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	46.9	Very low	42.2	Very low	244 Å²	244	173.5 Å²	173.5	100%	1.202	85%	0.848	S	S	*	*				0	95.3	0	-74.1	173.1	176	0	0	108.3
2	N	39.9	Very low	43.2	Very low	170 Å²	170	171.2 Å²	171.2	91%	0.909	82%	0.823	S	S	*	*			trans	-108.3	104.3	-176.8	-128	-2.1	0	0	0	109.1	R4	N2-R4 PolarHBondContact O-N 3.27Å
3	R	39.8	Very low	44.1	Very low	245 Å²	245	168 Å²	168	93%	0.925	82%	0.821	S	S	*	*			trans	-69.2	113.5	178.6	-81.8	-176.5	-179.8	-176.5	0.5	109.1	Q5	R3-Q5 PolarHBondContact O-N 3.17Å; R3-Q5 VanDerWaalsContact O-N 3.15Å
4	R	41.7	Very low	45.1	Very low	235 Å²	235	168.4 Å²	168.4	89%	0.887	82%	0.823	S	S	*	*			trans	-62.6	108.4	160.1	-75.2	179.8	175.3	176.5	-2.4	107.9	N2 T6	N2-R4 PolarHBondContact O-N 3.27Å; R4-T6 PolarHBondContact O-N 3.15Å
5	Q	41.6	Very low	46.6	Very low	192 Å²	192	159.1 Å²	159.1	90%	0.897	78%	0.781	S	S	*	*			trans	-69.2	103.3	159.2	-79.6	175.5	-3.1	0	0	107.1	R3 A7	R3-Q5 PolarHBondContact O-N 3.17Å; R3-Q5 VanDerWaalsContact O-N 3.15Å; Q5-A7 PolarHBondContact O-N 3.4Å
6	T	40.9	Very low	48.8	Very low	130 Å²	130	158.6 Å²	158.6	80%	0.798	79%	0.789	S	S	*	*			trans	-66.3	114.1	166.2	46.1	0	0	0	0	107.9	R4 F8	R4-T6 PolarHBondContact O-N 3.15Å; T6-F8 PolarHBondContact O-N 3.28Å
7	A	48.4	Very low	51.3	Low	94 Å²	94	155.1 Å²	155.1	78%	0.777	77%	0.773	S	S	*	*			trans	-55.4	130	175.5	0	0	0	0	0	110.6	Q5 N9	Q5-A7 PolarHBondContact O-N 3.4Å; A7-N9 PolarHBondContact O-N 2.87Å; A7-N9 VanDerWaalsContact O-N 3.12Å
8	F	35.3	Very low	53.6	Low	185 Å²	185	148.8 Å²	148.8	81%	0.811	75%	0.75	S	S	*	*			trans	-62.3	108.4	170.4	-174.3	-102.3	0	0	0	108.4	T6 P10	T6-F8 PolarHBondContact O-N 3.28Å; F8-P10 HydrophobicContact CD1-CB 4.21Å; F8-P10 HydrophobicContact CD1-CG 4.21Å; F8-P10 HydrophobicContact CE1-CB 3.71Å; F8-P10 HydrophobicContact CE1-CG 4.12Å; F8-P10 HydrophobicContact CZ-CB 4.44Å; F8-P10 VanDerWaalsContact O-CD 3.28Å; F8-P10 WeakPolarHBondContact O-CD 3.28Å
9	N	40.2	Very low	55.8	Low	140 Å²	140	149.6 Å²	149.6	75%	0.749	75%	0.75	S	S	*	*			trans	-98.8	96.2	169.7	-170.2	5.2	0	0	0	106.9	A7 K11	A7-N9 PolarHBondContact O-N 2.87Å; A7-N9 VanDerWaalsContact O-N 3.12Å; N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 3.12Å
10	P	42.8	Very low	57.8	Low	85 Å²	85	146.7 Å²	146.7	55%	0.552	74%	0.737	S	S	*	*			trans	-68.1	101.5	176.2	26.7	-27	0	0	0	106.3	F8 R12	F8-P10 HydrophobicContact CD1-CB 4.21Å; F8-P10 HydrophobicContact CD1-CG 4.21Å; F8-P10 HydrophobicContact CE1-CB 3.71Å; F8-P10 HydrophobicContact CE1-CG 4.12Å; F8-P10 HydrophobicContact CZ-CB 4.44Å; F8-P10 VanDerWaalsContact O-CD 3.28Å; F8-P10 WeakPolarHBondContact O-CD 3.28Å; P10-R12 PolarHBondContact O-N 2.83Å
11	K	46.4	Very low	59.6	Low	189 Å²	189	140.9 Å²	140.9	82%	0.822	71%	0.707	S	S	*	*			trans	-49.3	112.3	165	-77.1	-175.7	176.5	-178.6	0	106.1	N9 T13	N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 3.12Å; K11-T13 PolarHBondContact O-N 2.88Å
12	R	55	Low	62	Low	145 Å²	145	132.9 Å²	132.9	55%	0.547	67%	0.667	S	S	.	*			trans	-43.2	103.6	171.2	-169.8	-179.5	-174.6	161.6	-2.5	106.3	P10 M14 E26	P10-R12 PolarHBondContact O-N 2.83Å; R12-M14 VanDerWaalsContact C-N 3.31Å; R12-M14 PolarHBondContact O-N 2.87Å; R12-E26 IonicContact CZ-OE2 2.74Å; R12-E26 VanDerWaalsContact NH2-CD 3.33Å; R12-E26 IonicContact NH2-OE1 3.49Å; R12-E26 IonicContact NH2-OE2 2.82Å; R12-E26 PolarHBondContact NH2-OE2 2.94Å
13	T	54.9	Low	64.8	Low	130 Å²	130	127.9 Å²	127.9	80%	0.798	64%	0.642	S	S	*	*			trans	-63.4	102.7	175	2.1	0	0	0	0	104.5	K11 T15	K11-T13 PolarHBondContact O-N 2.88Å; T13-T15 PolarHBondContact O-N 3.19Å; T13-T15 VanDerWaalsContact O-N 3.07Å
14	M	57.8	Low	67.5	Low	173 Å²	173	119.2 Å²	119.2	85%	0.852	61%	0.612	S	S	*	*			trans	-51.8	123.3	171.1	-80.7	-159	-162.9	0	0	106.1	R12	R12-M14 VanDerWaalsContact C-N 3.31Å; R12-M14 PolarHBondContact O-N 2.87Å
15	T	67.7	Low	70.2	Confident	30 Å²	30	108 Å²	108	18%	0.184	57%	0.57	C	S	.	*			trans	-64.9	145.1	178.5	62.5	0	0	0	0	107.8	T13 I17 A18 G86	T13-T15 PolarHBondContact O-N 3.19Å; T13-T15 VanDerWaalsContact O-N 3.07Å; T15-I17 PolarHBondContact O-N 3.07Å; T15-A18 PolarHBondContact O-N 3.17Å; T15-A18 WeakPolarHBondContact OG1-CB 3.4Å; T15-A18 PolarHBondContact OG1-N 3.09Å; T15-G86 WeakPolarHBondContact CG2-O 3.33Å; T15-G86 WeakPolarHBondContact OG1-CA 3.44Å; T15-G86 PolarHBondContact OG1-O 2.88Å
16	T	81.4	Confident	72.9	Confident	150 Å²	150	99.8 Å²	99.8	92%	0.92	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.2	-177.9	47.1	0	0	0	0	113.6
17	I	91.7	Very high	75.7	Confident	99 Å²	99	98.1 Å²	98.1	51%	0.508	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-14.2	-177.3	66.8	173.5	0	0	0	113.7	T15 Q19	T15-I17 PolarHBondContact O-N 3.07Å; I17-Q19 PolarHBondContact O-N 3.4Å
18	A	92.6	Very high	78.1	Confident	43 Å²	43	94.1 Å²	94.1	36%	0.355	49%	0.489	S	S	.	.			trans	-71.5	115.7	-176.9	0	0	0	0	0	110.7	T15	T15-A18 PolarHBondContact O-N 3.17Å; T15-A18 WeakPolarHBondContact OG1-CB 3.4Å; T15-A18 PolarHBondContact OG1-N 3.09Å
19	Q	94.9	Very high	81.1	Confident	163 Å²	163	85.3 Å²	85.3	76%	0.762	45%	0.45	S	S	*	.			trans	-134.8	130.6	174.5	-178.1	177.5	-19.6	0	0	109.4	I17 F21 R85	I17-Q19 PolarHBondContact O-N 3.4Å; Q19-F21 PolarHBondContact O-N 2.96Å; Q19-F21 VanDerWaalsContact O-N 3.11Å; Q19-R85 PolarHBondContact O-NH2 3.04Å
20	N	95.4	Very high	83.9	Confident	91 Å²	91	79.5 Å²	79.5	49%	0.487	42%	0.419	S	S	.	.	S	Bend	trans	48.5	37.5	-178.8	-162.6	38.4	0	0	0	113.7	R85 N134 D135	N20-R85 PolarHBondContact O-NH2 3.36Å; N20-N134 PolarHBondContact ND2-O 2.93Å; N20-D135 VanDerWaalsContact O-OD2 3.05Å
21	F	96.9	Very high	86.5	Confident	26 Å²	26	81.1 Å²	81.1	11%	0.114	42%	0.418	C	S	.	.			trans	-119.5	94.9	-176.6	-169	-123	0	0	0	109.6	Q19 E26 L29 R85 M138	Q19-F21 PolarHBondContact O-N 2.96Å; Q19-F21 VanDerWaalsContact O-N 3.11Å; F21-E26 HydrophobicContact CE1-CB 3.73Å; F21-E26 HydrophobicContact CE1-CG 4.3Å; F21-E26 HydrophobicContact CZ-CB 4.09Å; F21-L29 HydrophobicContact CE2-CD1 3.78Å; F21-L29 HydrophobicContact CZ-CD1 3.59Å; F21-R85 HydrophobicContact CB-CB 4.5Å; F21-R85 HydrophobicContact CD1-CB 3.89Å; F21-R85 HydrophobicContact CD2-CB 3.83Å; F21-R85 HydrophobicContact CD2-CG 4.26Å; F21-R85 HydrophobicContact CE1-CB 3.98Å; F21-R85 HydrophobicContact CE2-CB 3.93Å; F21-R85 HydrophobicContact CE2-CG 4.28Å; F21-R85 HydrophobicContact CG-CB 3.81Å; F21-R85 HydrophobicContact CZ-CB 3.99Å; F21-M138 HydrophobicContact CE2-SD 4.09Å
22	H	97.6	Very high	89	Confident	76 Å²	76	72.2 Å²	72.2	35%	0.352	38%	0.379	S	S	.	.			trans	-71.6	151.1	-172.4	-171.4	-101.6	0	0	0	111.8	E24 S25 E26 H133	H22-E24 VanDerWaalsContact ND1-CB 3.3Å; H22-E24 WeakPolarHBondContact ND1-CB 3.34Å; H22-E24 PolarHBondContact ND1-N 3.2Å; H22-E24 PolarHBondContact O-N 3.41Å; H22-S25 WeakPolarHBondContact O-CA 3.47Å; H22-S25 VanDerWaalsContact O-CB 3.29Å; H22-S25 WeakPolarHBondContact O-CB 3.33Å; H22-S25 PolarHBondContact O-N 2.85Å; H22-E26 PolarHBondContact O-N 3.4Å; H22-E26 VanDerWaalsContact O-N 3.1Å; H22-H133 HydrophobicContact CB-CB 3.9Å; H22-H133 AromaticContact CD2-CE1 3.87Å; H22-H133 AromaticContact CD2-ND1 3.76Å; H22-H133 AromaticContact CE1-CE1 3.34Å; H22-H133 PolarHBondContact CE1-CE1 3.48Å; H22-H133 AromaticContact CE1-ND1 3.99Å; H22-H133 AromaticContact CE1-NE2 3.64Å; H22-H133 AromaticContact CG-CD2 3.81Å; H22-H133 AromaticContact CG-CE1 3.5Å; H22-H133 VanDerWaalsContact CG-CE1 3.5Å; H22-H133 AromaticContact CG-CG 3.64Å; H22-H133 AromaticContact CG-ND1 3.42Å; H22-H133 AromaticContact CG-NE2 3.73Å; H22-H133 AromaticContact ND1-CD2 3.54Å; H22-H133 AromaticContact ND1-CE1 3.13Å; H22-H133 PolarHBondContact ND1-CE1 2.92Å; H22-H133 AromaticContact ND1-CG 3.82Å; H22-H133 AromaticContact ND1-ND1 3.57Å; H22-H133 AromaticContact ND1-NE2 3.1Å; H22-H133 PolarHBondContact ND1-NE2 3.15Å; H22-H133 VanDerWaalsContact ND1-NE2 3.1Å; H22-H133 AromaticContact NE2-CE1 3.83Å
23	T	97	Very high	91.1	Very high	64 Å²	64	65.5 Å²	65.5	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-30.7	-177.6	63.8	0	0	0	0	113.3	V27	T23-V27 WeakPolarHBondContact O-CG2 3.49Å; T23-V27 PolarHBondContact O-N 3.38Å; T23-V27 VanDerWaalsContact O-N 3.1Å
24	E	98.2	Very high	93.2	Very high	64 Å²	64	60.9 Å²	60.9	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-37.1	173.6	-166.7	178.9	-177.4	0	0	111.7	H22 V27 G28 I129 R132 H133	H22-E24 VanDerWaalsContact ND1-CB 3.3Å; H22-E24 WeakPolarHBondContact ND1-CB 3.34Å; H22-E24 PolarHBondContact ND1-N 3.2Å; H22-E24 PolarHBondContact O-N 3.41Å; E24-V27 PolarHBondContact O-N 3.14Å; E24-G28 PolarHBondContact O-N 2.92Å; E24-I129 HydrophobicContact CB-CG2 4.12Å; E24-I129 HydrophobicContact CG-CD1 4.47Å; E24-I129 HydrophobicContact CG-CG1 4.47Å; E24-I129 HydrophobicContact CG-CG2 3.83Å; E24-R132 VanDerWaalsContact CD-NH1 3.31Å; E24-R132 IonicContact OE1-CZ 3.17Å; E24-R132 IonicContact OE1-NH1 2.83Å; E24-R132 PolarHBondContact OE1-NH1 3.43Å; E24-R132 IonicContact OE1-NH2 2.67Å; E24-R132 PolarHBondContact OE1-NH2 2.95Å; E24-R132 IonicContact OE2-CZ 2.88Å; E24-R132 IonicContact OE2-NH1 3Å; E24-R132 PolarHBondContact OE2-NH1 3.25Å; E24-R132 IonicContact OE2-NH2 3.38Å; E24-H133 IonicContact OE2-CD2 3.56Å; E24-H133 IonicContact OE2-CE1 3.72Å; E24-H133 IonicContact OE2-NE2 3.61Å; E24-H133 PolarHBondContact OE2-NE2 2.67Å
25	S	98.3	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-44.2	173.8	-53.8	0	0	0	0	111.4	H22 V27 G28 L29	H22-S25 WeakPolarHBondContact O-CA 3.47Å; H22-S25 VanDerWaalsContact O-CB 3.29Å; H22-S25 WeakPolarHBondContact O-CB 3.33Å; H22-S25 PolarHBondContact O-N 2.85Å; S25-V27 VanDerWaalsContact C-N 3.34Å; S25-V27 PolarHBondContact O-N 2.62Å; S25-G28 PolarHBondContact O-N 3.21Å; S25-L29 PolarHBondContact O-N 3.35Å
26	E	98.3	Very high	96.6	Very high	18 Å²	18	53.2 Å²	53.2	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-43.6	174.6	177	175.2	167.6	0	0	111.8	R12 F21 H22 N30 Q82 R88	R12-E26 IonicContact CZ-OE2 2.74Å; R12-E26 VanDerWaalsContact NH2-CD 3.33Å; R12-E26 IonicContact NH2-OE1 3.49Å; R12-E26 IonicContact NH2-OE2 2.82Å; R12-E26 PolarHBondContact NH2-OE2 2.94Å; F21-E26 HydrophobicContact CE1-CB 3.73Å; F21-E26 HydrophobicContact CE1-CG 4.3Å; F21-E26 HydrophobicContact CZ-CB 4.09Å; H22-E26 PolarHBondContact O-N 3.4Å; H22-E26 VanDerWaalsContact O-N 3.1Å; E26-N30 PolarHBondContact O-N 3.29Å; E26-N30 PolarHBondContact O-ND2 3Å; E26-N30 VanDerWaalsContact O-ND2 3.11Å; E26-Q82 PolarHBondContact O-NE2 3.08Å; E26-R88 WeakPolarHBondContact OE1-CB 3.3Å; E26-R88 PolarHBondContact OE1-N 3.5Å
27	V	98.4	Very high	97.4	Very high	95 Å²	95	47.3 Å²	47.3	58%	0.576	25%	0.248	S	C	*	.	H	α-helix	trans	-67.3	-43.3	177.2	171.2	0	0	0	0	111.2	T23 E24 S25 L29 N30 K31	T23-V27 WeakPolarHBondContact O-CG2 3.49Å; T23-V27 PolarHBondContact O-N 3.38Å; T23-V27 VanDerWaalsContact O-N 3.1Å; E24-V27 PolarHBondContact O-N 3.14Å; S25-V27 VanDerWaalsContact C-N 3.34Å; S25-V27 PolarHBondContact O-N 2.62Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.47Å; V27-N30 PolarHBondContact O-N 2.9Å; V27-K31 PolarHBondContact O-N 3.15Å
28	G	98.6	Very high	97.8	Very high	10 Å²	10	45.5 Å²	45.5	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-42.6	177.3	0	0	0	0	0	112.4	E24 S25 N30 K31 Q32	E24-G28 PolarHBondContact O-N 2.92Å; S25-G28 PolarHBondContact O-N 3.21Å; G28-N30 PolarHBondContact O-N 3.06Å; G28-K31 WeakPolarHBondContact O-CB 3.39Å; G28-K31 PolarHBondContact O-N 3.11Å; G28-Q32 PolarHBondContact O-N 3.13Å
29	L	98.7	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-41.7	174.4	-84.7	162.7	0	0	0	112.2	F21 S25 V27 K31 Q32 I33 L78 Y81 L126 M138	F21-L29 HydrophobicContact CE2-CD1 3.78Å; F21-L29 HydrophobicContact CZ-CD1 3.59Å; S25-L29 PolarHBondContact O-N 3.35Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.47Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.85Å; L29-Q32 PolarHBondContact O-N 3Å; L29-I33 WeakPolarHBondContact O-CD1 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 3.41Å; L29-L78 HydrophobicContact CD2-CD2 3.8Å; L29-Y81 HydrophobicContact CD1-CD1 3.9Å; L29-Y81 HydrophobicContact CD1-CE1 4.1Å; L29-Y81 HydrophobicContact CD2-CD1 4.24Å; L29-L126 HydrophobicContact CD2-CD2 3.96Å; L29-L126 HydrophobicContact CG-CD2 4.25Å; L29-M138 HydrophobicContact CD1-CE 3.87Å; L29-M138 HydrophobicContact CD1-SD 4.06Å; L29-M138 HydrophobicContact CD2-CE 4.23Å; L29-M138 HydrophobicContact CG-CE 3.69Å
30	N	98.8	Very high	98.2	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-38.4	175.1	-77.9	-47.1	0	0	0	112.3	E26 V27 G28 N34 Q82 R88 V89 K90	E26-N30 PolarHBondContact O-N 3.29Å; E26-N30 PolarHBondContact O-ND2 3Å; E26-N30 VanDerWaalsContact O-ND2 3.11Å; V27-N30 PolarHBondContact O-N 2.9Å; G28-N30 PolarHBondContact O-N 3.06Å; N30-N34 PolarHBondContact O-N 3.48Å; N30-Q82 PolarHBondContact ND2-NE2 3.28Å; N30-Q82 PolarHBondContact OD1-NE2 3.49Å; N30-R88 PolarHBondContact ND2-O 3.04Å; N30-R88 PolarHBondContact OD1-O 3.31Å; N30-V89 WeakPolarHBondContact OD1-CA 3.47Å; N30-K90 PolarHBondContact OD1-N 2.68Å
31	K	98.6	Very high	98.4	Very high	119 Å²	119	34.3 Å²	34.3	52%	0.517	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-48.1	173.3	-178.3	-171.5	173	-163.1	0	110.7	V27 G28 L29 I33 N34 I35 E125	V27-K31 PolarHBondContact O-N 3.15Å; G28-K31 WeakPolarHBondContact O-CB 3.39Å; G28-K31 PolarHBondContact O-N 3.11Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.85Å; K31-I33 PolarHBondContact O-N 2.84Å; K31-N34 WeakPolarHBondContact O-CB 3.3Å; K31-N34 PolarHBondContact O-N 3.18Å; K31-N34 VanDerWaalsContact O-N 3.13Å; K31-I35 HydrophobicContact CG-CD1 4.21Å; K31-I35 PolarHBondContact O-N 2.98Å; K31-I35 VanDerWaalsContact O-N 3.1Å; K31-E125 IonicContact NZ-OE2 3.37Å; K31-E125 PolarHBondContact NZ-OE2 3.47Å
32	Q	98.8	Very high	98.4	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-40.1	-178.9	-167.7	64.5	28.1	0	0	112.1	G28 L29 N34 I35 E36 L78 G122 L123 L126	G28-Q32 PolarHBondContact O-N 3.13Å; L29-Q32 PolarHBondContact O-N 3Å; Q32-N34 PolarHBondContact O-N 3.1Å; Q32-I35 WeakPolarHBondContact O-CA 3.43Å; Q32-I35 WeakPolarHBondContact O-CB 3.35Å; Q32-I35 PolarHBondContact O-N 3.45Å; Q32-E36 PolarHBondContact NE2-OE1 3.1Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 3.33Å; Q32-L78 HydrophobicContact CB-CD1 4.02Å; Q32-L78 HydrophobicContact CG-CD1 3.6Å; Q32-G122 VanDerWaalsContact OE1-C 3.24Å; Q32-L123 HydrophobicContact CG-CD2 3.94Å; Q32-L126 HydrophobicContact CB-CD2 3.83Å; Q32-L126 HydrophobicContact CG-CD2 4.15Å
33	I	98.9	Very high	98.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-52.7	-43.3	172.5	-71.8	160.4	0	0	0	111	L29 K31 E36 L37 L78 I79 L91	L29-I33 WeakPolarHBondContact O-CD1 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 3.41Å; K31-I33 PolarHBondContact O-N 2.84Å; I33-E36 PolarHBondContact O-N 3.11Å; I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.12Å; I33-L37 PolarHBondContact O-N 3.18Å; I33-L37 VanDerWaalsContact O-N 3.08Å; I33-L78 HydrophobicContact CD1-CB 4.21Å; I33-L78 HydrophobicContact CG1-CB 3.5Å; I33-L78 HydrophobicContact CG1-CD1 4.2Å; I33-I79 HydrophobicContact CD1-CG1 3.71Å; I33-I79 HydrophobicContact CG1-CG1 4.05Å; I33-I79 HydrophobicContact CG2-CD1 4.05Å; I33-I79 HydrophobicContact CG2-CG1 3.92Å; I33-L91 HydrophobicContact CG2-CD2 3.99Å
34	N	98.6	Very high	98.6	Very high	34 Å²	34	30.1 Å²	30.1	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-69.4	-34.3	178.5	-159.6	72.5	0	0	0	112.7	N30 K31 Q32 L37 Y38 N93	N30-N34 PolarHBondContact O-N 3.48Å; K31-N34 WeakPolarHBondContact O-CB 3.3Å; K31-N34 PolarHBondContact O-N 3.18Å; K31-N34 VanDerWaalsContact O-N 3.13Å; Q32-N34 PolarHBondContact O-N 3.1Å; N34-L37 PolarHBondContact O-N 3.34Å; N34-Y38 WeakPolarHBondContact O-CB 3.5Å; N34-Y38 PolarHBondContact O-N 3.48Å; N34-N93 PolarHBondContact ND2-O 3.03Å; N34-N93 PolarHBondContact OD1-O 2.7Å
35	I	98.7	Very high	98.6	Very high	41 Å²	41	28.1 Å²	28.1	21%	0.21	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-47.8	174.8	-69.4	168.8	0	0	0	110.3	K31 Q32 L37 Y38 A39 V119	K31-I35 HydrophobicContact CG-CD1 4.21Å; K31-I35 PolarHBondContact O-N 2.98Å; K31-I35 VanDerWaalsContact O-N 3.1Å; Q32-I35 WeakPolarHBondContact O-CA 3.43Å; Q32-I35 WeakPolarHBondContact O-CB 3.35Å; Q32-I35 PolarHBondContact O-N 3.45Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 3.01Å; I35-Y38 PolarHBondContact O-N 2.81Å; I35-A39 PolarHBondContact O-N 3.24Å; I35-V119 HydrophobicContact CG2-CB 4.46Å; I35-V119 HydrophobicContact CG2-CG2 3.94Å
36	E	98.8	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-40.3	178.2	-54.5	-48.5	168.1	0	0	111.8	Q32 I33 Y38 A39 S40 H74 A75 L78 V119	Q32-E36 PolarHBondContact NE2-OE1 3.1Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 3.33Å; I33-E36 PolarHBondContact O-N 3.11Å; E36-Y38 VanDerWaalsContact C-N 3.34Å; E36-Y38 PolarHBondContact O-N 3.09Å; E36-A39 PolarHBondContact O-N 3.34Å; E36-S40 WeakPolarHBondContact O-CB 3.25Å; E36-S40 PolarHBondContact O-N 3.1Å; E36-H74 HydrophobicContact CB-CB 4.38Å; E36-H74 HydrophobicContact CG-CB 4.05Å; E36-A75 HydrophobicContact CB-CB 3.8Å; E36-L78 HydrophobicContact CG-CD1 3.62Å; E36-V119 VanDerWaalsContact OE2-CG1 3.32Å; E36-V119 WeakPolarHBondContact OE2-CG1 3.46Å
37	L	98.8	Very high	98.6	Very high	27 Å²	27	27.3 Å²	27.3	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-37.1	176.1	-71	171.3	0	0	0	112.4	I33 N34 I35 N41 A75 M76 L91 I94	I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.12Å; I33-L37 PolarHBondContact O-N 3.18Å; I33-L37 VanDerWaalsContact O-N 3.08Å; N34-L37 PolarHBondContact O-N 3.34Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 3.01Å; L37-N41 PolarHBondContact O-N 3.13Å; L37-N41 VanDerWaalsContact O-N 3.08Å; L37-A75 HydrophobicContact CD2-CB 3.66Å; L37-A75 HydrophobicContact CG-CB 3.72Å; L37-M76 HydrophobicContact CD2-CE 4.34Å; L37-L91 HydrophobicContact CD1-CD2 4.26Å; L37-I94 HydrophobicContact CB-CD1 3.74Å; L37-I94 HydrophobicContact CB-CG1 3.95Å; L37-I94 HydrophobicContact CD1-CD1 4.2Å; L37-I94 HydrophobicContact CG-CD1 4.38Å
38	Y	98.5	Very high	98.6	Very high	61 Å²	61	25.5 Å²	25.5	24%	0.239	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-44.1	172.5	172.4	-99.2	0	0	0	111.7	N34 I35 E36 S40 N41 L42 D95 L115	N34-Y38 WeakPolarHBondContact O-CB 3.5Å; N34-Y38 PolarHBondContact O-N 3.48Å; I35-Y38 PolarHBondContact O-N 2.81Å; E36-Y38 VanDerWaalsContact C-N 3.34Å; E36-Y38 PolarHBondContact O-N 3.09Å; Y38-S40 VanDerWaalsContact C-N 3.33Å; Y38-S40 PolarHBondContact O-N 3.13Å; Y38-N41 PolarHBondContact O-N 3.34Å; Y38-N41 VanDerWaalsContact O-N 3.14Å; Y38-L42 HydrophobicContact CE1-CD1 3.88Å; Y38-L42 WeakPolarHBondContact O-CB 3.43Å; Y38-L42 PolarHBondContact O-N 3.34Å; Y38-D95 HydrophobicContact CD2-CB 4.28Å; Y38-D95 WeakPolarHBondContact CD2-O 3.4Å; Y38-D95 HydrophobicContact CE2-CB 4.31Å; Y38-L115 HydrophobicContact CD1-CD1 4.42Å; Y38-L115 HydrophobicContact CE1-CD1 4.29Å
39	A	98.7	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-46.1	176	0	0	0	0	0	111.2	I35 E36 N41 L42 Y43 E71 L115 V119	I35-A39 PolarHBondContact O-N 3.24Å; E36-A39 PolarHBondContact O-N 3.34Å; A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 2.92Å; A39-L42 PolarHBondContact O-N 3.46Å; A39-Y43 WeakPolarHBondContact O-CD2 3.39Å; A39-Y43 PolarHBondContact O-N 3.31Å; A39-E71 HydrophobicContact CB-CB 4.32Å; A39-E71 HydrophobicContact CB-CG 3.95Å; A39-L115 HydrophobicContact CB-CD1 4.1Å; A39-L115 HydrophobicContact CB-CD2 3.95Å; A39-L115 HydrophobicContact CB-CG 4.27Å; A39-V119 HydrophobicContact CB-CG2 4.09Å
40	S	98.7	Very high	98.6	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.063	14%	0.137	C	C	.	.	H	α-helix	trans	-55.3	-44.8	173.2	-178.8	0	0	0	0	112.4	E36 Y38 L44 S68	E36-S40 WeakPolarHBondContact O-CB 3.25Å; E36-S40 PolarHBondContact O-N 3.1Å; Y38-S40 VanDerWaalsContact C-N 3.33Å; Y38-S40 PolarHBondContact O-N 3.13Å; S40-L44 WeakPolarHBondContact O-CB 3.21Å; S40-L44 PolarHBondContact O-N 2.85Å; S40-S68 WeakPolarHBondContact CB-O 3.48Å; S40-S68 WeakPolarHBondContact O-CB 3.5Å; S40-S68 PolarHBondContact O-OG 3.32Å; S40-S68 PolarHBondContact OG-O 3.24Å; S40-S68 PolarHBondContact OG-OG 3.27Å
41	N	98.2	Very high	98.5	Very high	52 Å²	52	30.8 Å²	30.8	28%	0.278	16%	0.163	S	C	.	.	H	α-helix	trans	-68.6	-36.3	179.3	-166.2	35.9	0	0	0	112.7	L37 Y38 A39 L44 S45 I94 D95	L37-N41 PolarHBondContact O-N 3.13Å; L37-N41 VanDerWaalsContact O-N 3.08Å; Y38-N41 PolarHBondContact O-N 3.34Å; Y38-N41 VanDerWaalsContact O-N 3.14Å; A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 2.92Å; N41-L44 WeakPolarHBondContact O-CB 3.29Å; N41-L44 PolarHBondContact O-N 3.04Å; N41-S45 PolarHBondContact O-N 2.97Å; N41-I94 HydrophobicContact CB-CG2 4.05Å; N41-D95 PolarHBondContact ND2-O 3.27Å
42	L	98.3	Very high	98.5	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-45.5	176.4	-167.5	156.9	0	0	0	111	Y38 A39 L44 S45 M46 P97 W102 L115	Y38-L42 HydrophobicContact CE1-CD1 3.88Å; Y38-L42 WeakPolarHBondContact O-CB 3.43Å; Y38-L42 PolarHBondContact O-N 3.34Å; A39-L42 PolarHBondContact O-N 3.46Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.05Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 3.22Å; L42-M46 HydrophobicContact CD2-CE 3.35Å; L42-M46 HydrophobicContact CD2-CG 4.26Å; L42-M46 HydrophobicContact CD2-SD 3.83Å; L42-M46 PolarHBondContact O-N 3.43Å; L42-P97 HydrophobicContact CG-CB 4.34Å; L42-W102 HydrophobicContact CD1-CH2 4.17Å; L42-W102 HydrophobicContact CD2-CH2 3.55Å; L42-W102 HydrophobicContact CD2-CZ2 3.96Å; L42-W102 HydrophobicContact CD2-CZ3 4.25Å; L42-W102 HydrophobicContact CG-CH2 3.7Å; L42-W102 HydrophobicContact CG-CZ2 4.05Å; L42-L115 HydrophobicContact CB-CD2 4.27Å; L42-L115 HydrophobicContact CD1-CD1 4.45Å; L42-L115 HydrophobicContact CD1-CD2 4.28Å; L42-L115 HydrophobicContact CD2-CD2 3.97Å; L42-L115 HydrophobicContact CG-CD2 4.39Å
43	Y	98.6	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-35.6	172.5	-79.1	-51.3	0	0	0	113	A39 S45 M46 A47 F64 Q67 E71 A112 L115 E116	A39-Y43 WeakPolarHBondContact O-CD2 3.39Å; A39-Y43 PolarHBondContact O-N 3.31Å; Y43-S45 VanDerWaalsContact C-N 3.33Å; Y43-S45 PolarHBondContact O-N 2.97Å; Y43-M46 HydrophobicContact CD1-SD 3.97Å; Y43-M46 HydrophobicContact CE1-SD 4.32Å; Y43-M46 PolarHBondContact O-N 3.41Å; Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 3.19Å; Y43-F64 AromaticContact CD1-CD1 3.57Å; Y43-F64 HydrophobicContact CD1-CD1 3.57Å; Y43-F64 HydrophobicContact CD1-CE1 4.2Å; Y43-F64 HydrophobicContact CD1-CG 4.48Å; Y43-F64 AromaticContact CE1-CD1 3.81Å; Y43-F64 HydrophobicContact CE1-CD1 3.81Å; Y43-F64 HydrophobicContact CE1-CE1 4.04Å; Y43-Q67 HydrophobicContact CD1-CB 3.81Å; Y43-Q67 HydrophobicContact CD1-CG 4.47Å; Y43-Q67 HydrophobicContact CD2-CB 3.69Å; Y43-Q67 HydrophobicContact CE1-CB 3.93Å; Y43-Q67 HydrophobicContact CE1-CG 4.23Å; Y43-Q67 HydrophobicContact CE2-CB 3.82Å; Y43-Q67 HydrophobicContact CG-CB 3.69Å; Y43-E71 HydrophobicContact CD2-CG 3.74Å; Y43-E71 HydrophobicContact CE2-CG 3.81Å; Y43-A112 HydrophobicContact CE1-CB 3.73Å; Y43-L115 HydrophobicContact CD2-CD2 4.31Å; Y43-L115 HydrophobicContact CE2-CD2 3.96Å; Y43-E116 VanDerWaalsContact CE2-OE1 3.3Å; Y43-E116 WeakPolarHBondContact CE2-OE1 3.43Å; Y43-E116 VanDerWaalsContact CZ-OE1 3.32Å; Y43-E116 PolarHBondContact OH-OE1 3.39Å
44	L	98.5	Very high	98.4	Very high	69 Å²	69	41.9 Å²	41.9	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-41.6	174.4	-177.4	58	0	0	0	111.8	S40 N41 L42 A47 A48	S40-L44 WeakPolarHBondContact O-CB 3.21Å; S40-L44 PolarHBondContact O-N 2.85Å; N41-L44 WeakPolarHBondContact O-CB 3.29Å; N41-L44 PolarHBondContact O-N 3.04Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.05Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.44Å
45	S	98.5	Very high	98.3	Very high	21 Å²	21	41.9 Å²	41.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-44.5	174.5	171.1	0	0	0	0	111.9	N41 L42 Y43 A47 A48 Y49 S99 W102	N41-S45 PolarHBondContact O-N 2.97Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 3.22Å; Y43-S45 VanDerWaalsContact C-N 3.33Å; Y43-S45 PolarHBondContact O-N 2.97Å; S45-A47 PolarHBondContact O-N 2.88Å; S45-A48 PolarHBondContact O-N 2.93Å; S45-Y49 PolarHBondContact O-N 3.33Å; S45-S99 PolarHBondContact OG-O 3.15Å; S45-W102 PolarHBondContact OG-NE1 3.25Å
46	M	98.7	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-46.9	174.3	-69.9	175.4	169.6	0	0	111.5	L42 Y43 A48 Y49 F50 F64 W102 A108 A111 A112	L42-M46 HydrophobicContact CD2-CE 3.35Å; L42-M46 HydrophobicContact CD2-CG 4.26Å; L42-M46 HydrophobicContact CD2-SD 3.83Å; L42-M46 PolarHBondContact O-N 3.43Å; Y43-M46 HydrophobicContact CD1-SD 3.97Å; Y43-M46 HydrophobicContact CE1-SD 4.32Å; Y43-M46 PolarHBondContact O-N 3.41Å; M46-A48 VanDerWaalsContact C-N 3.33Å; M46-A48 PolarHBondContact O-N 3.5Å; M46-Y49 WeakPolarHBondContact O-CB 3.42Å; M46-Y49 PolarHBondContact O-N 3.23Å; M46-F50 WeakPolarHBondContact O-CD2 3.36Å; M46-F50 PolarHBondContact O-N 3.48Å; M46-F50 VanDerWaalsContact O-N 3.14Å; M46-F64 HydrophobicContact CB-CB 4Å; M46-F64 HydrophobicContact CB-CD1 4.23Å; M46-F64 HydrophobicContact CB-CD2 3.81Å; M46-F64 HydrophobicContact CB-CE2 4.28Å; M46-F64 HydrophobicContact CB-CG 3.76Å; M46-F64 HydrophobicContact SD-CD1 3.92Å; M46-F64 HydrophobicContact SD-CE1 3.74Å; M46-F64 HydrophobicContact SD-CG 4.39Å; M46-F64 HydrophobicContact SD-CZ 4.06Å; M46-W102 HydrophobicContact CE-CD2 4.01Å; M46-W102 HydrophobicContact CE-CE3 3.54Å; M46-W102 HydrophobicContact CE-CH2 3.85Å; M46-W102 HydrophobicContact CE-CZ2 4.27Å; M46-W102 HydrophobicContact CE-CZ3 3.46Å; M46-W102 VanDerWaalsContact CE-CZ3 3.46Å; M46-W102 HydrophobicContact CG-CD2 3.62Å; M46-W102 VanDerWaalsContact CG-CE2 3.5Å; M46-W102 HydrophobicContact CG-CE3 4.16Å; M46-W102 HydrophobicContact CG-CG 3.94Å; M46-W102 HydrophobicContact CG-CH2 4.43Å; M46-W102 HydrophobicContact CG-CZ2 3.92Å; M46-A108 WeakPolarHBondContact CE-O 3.49Å; M46-A111 HydrophobicContact CE-CB 3.64Å; M46-A112 HydrophobicContact CE-CB 4.43Å; M46-A112 HydrophobicContact SD-CB 4.42Å
47	A	98.3	Very high	98.2	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-45	178.1	0	0	0	0	0	112	Y43 L44 S45 Y49 F50 D51 A61 F64 R65	Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 3.19Å; L44-A47 PolarHBondContact O-N 2.91Å; S45-A47 PolarHBondContact O-N 2.88Å; A47-Y49 VanDerWaalsContact C-N 3.29Å; A47-Y49 PolarHBondContact O-N 3.42Å; A47-F50 PolarHBondContact O-N 2.83Å; A47-D51 PolarHBondContact O-N 3Å; A47-A61 WeakPolarHBondContact CB-O 3.42Å; A47-F64 HydrophobicContact CB-CB 3.95Å; A47-R65 HydrophobicContact CB-CB 4.06Å
48	A	98.5	Very high	98.1	Very high	56 Å²	56	44.9 Å²	44.9	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-34.9	177.9	0	0	0	0	0	112.6	L44 S45 M46	L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.44Å; S45-A48 PolarHBondContact O-N 2.93Å; M46-A48 VanDerWaalsContact C-N 3.33Å; M46-A48 PolarHBondContact O-N 3.5Å
49	Y	98.6	Very high	98	Very high	19 Å²	19	42 Å²	42	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-49.9	176.5	175.5	-94.3	0	0	0	112.7	S45 M46 A47 D51 R52 V55 D101 W102 G103	S45-Y49 PolarHBondContact O-N 3.33Å; M46-Y49 WeakPolarHBondContact O-CB 3.42Å; M46-Y49 PolarHBondContact O-N 3.23Å; A47-Y49 VanDerWaalsContact C-N 3.29Å; A47-Y49 PolarHBondContact O-N 3.42Å; Y49-D51 PolarHBondContact O-N 3.28Å; Y49-R52 WeakPolarHBondContact O-CB 3.48Å; Y49-R52 WeakPolarHBondContact O-CD 3.25Å; Y49-R52 WeakPolarHBondContact O-CG 3.49Å; Y49-R52 PolarHBondContact O-N 3.45Å; Y49-R52 VanDerWaalsContact O-N 3.15Å; Y49-V55 HydrophobicContact CD1-CG1 4.4Å; Y49-V55 HydrophobicContact CD1-CG2 4.36Å; Y49-V55 HydrophobicContact CE1-CG1 4Å; Y49-V55 HydrophobicContact CE1-CG2 3.87Å; Y49-V55 HydrophobicContact CE2-CG2 4.16Å; Y49-D101 HydrophobicContact CE2-CB 4.28Å; Y49-D101 WeakPolarHBondContact CE2-OD1 3.43Å; Y49-D101 VanDerWaalsContact CZ-OD1 3.29Å; Y49-D101 PolarHBondContact OH-OD1 3.13Å; Y49-W102 HydrophobicContact CD1-CB 3.87Å; Y49-W102 HydrophobicContact CE1-CB 4.08Å; Y49-W102 HydrophobicContact CG-CB 4.15Å; Y49-W102 AromaticContact CG-CD1 3.77Å; Y49-W102 HydrophobicContact CG-CG 4.39Å; Y49-G103 WeakPolarHBondContact OH-CA 3.44Å; Y49-G103 PolarHBondContact OH-N 3.5Å; Y49-G103 VanDerWaalsContact OH-N 3.17Å; Y49-G103 PolarHBondContact OH-O 3.08Å
50	F	98.1	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-19.8	-177.9	-73.1	-71.1	0	0	0	113.8	M46 A47 R52 V55 L57 F60 A61 F64 A108	M46-F50 WeakPolarHBondContact O-CD2 3.36Å; M46-F50 PolarHBondContact O-N 3.48Å; M46-F50 VanDerWaalsContact O-N 3.14Å; A47-F50 PolarHBondContact O-N 2.83Å; F50-R52 VanDerWaalsContact C-N 3.32Å; F50-V55 HydrophobicContact CD1-CG1 3.68Å; F50-V55 HydrophobicContact CE1-CG1 4.24Å; F50-L57 HydrophobicContact CD1-CB 3.98Å; F50-L57 HydrophobicContact CD1-CD1 3.92Å; F50-L57 HydrophobicContact CE1-CD1 4.05Å; F50-L57 PolarHBondContact O-N 2.89Å; F50-L57 VanDerWaalsContact O-N 3.07Å; F50-F60 HydrophobicContact CB-CB 3.87Å; F50-F60 HydrophobicContact CD1-CB 3.76Å; F50-F60 HydrophobicContact CD1-CG 4.2Å; F50-F60 HydrophobicContact CD2-CB 3.88Å; F50-F60 HydrophobicContact CE1-CB 4.29Å; F50-F60 HydrophobicContact CE1-CD1 4.4Å; F50-F60 HydrophobicContact CE1-CG 4.29Å; F50-F60 HydrophobicContact CE2-CB 4.45Å; F50-F60 HydrophobicContact CE2-CD1 4.45Å; F50-F60 HydrophobicContact CG-CB 3.54Å; F50-F60 HydrophobicContact CG-CG 4.38Å; F50-F60 HydrophobicContact CZ-CD1 4.31Å; F50-A61 HydrophobicContact CB-CB 4.05Å; F50-F64 AromaticContact CD2-CD2 3.66Å; F50-F64 HydrophobicContact CD2-CD2 3.66Å; F50-F64 AromaticContact CD2-CE2 3.74Å; F50-F64 HydrophobicContact CD2-CE2 3.74Å; F50-F64 AromaticContact CE2-CD2 3.79Å; F50-F64 HydrophobicContact CE2-CD2 3.79Å; F50-F64 AromaticContact CE2-CE2 3.38Å; F50-F64 HydrophobicContact CE2-CE2 3.38Å; F50-F64 HydrophobicContact CE2-CZ 4.46Å; F50-F64 HydrophobicContact CZ-CE2 4.27Å; F50-A108 HydrophobicContact CE2-CB 3.5Å; F50-A108 HydrophobicContact CZ-CB 3.51Å
51	D	97.9	Very high	98	Very high	120 Å²	120	42 Å²	42	64%	0.642	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.1	175.3	-158.8	43.4	0	0	0	113.4	A47 Y49 A61	A47-D51 PolarHBondContact O-N 3Å; Y49-D51 PolarHBondContact O-N 3.28Å; D51-A61 HydrophobicContact CB-CB 3.98Å
52	R	98.5	Very high	98	Very high	90 Å²	90	42.1 Å²	42.1	34%	0.34	24%	0.236	S	C	.	.	S	Bend	trans	-64.2	144.8	176.6	-68	164.1	52.6	173.7	-3.4	111.2	Y49 F50 D54 V55 A56	Y49-R52 WeakPolarHBondContact O-CB 3.48Å; Y49-R52 WeakPolarHBondContact O-CD 3.25Å; Y49-R52 WeakPolarHBondContact O-CG 3.49Å; Y49-R52 PolarHBondContact O-N 3.45Å; Y49-R52 VanDerWaalsContact O-N 3.15Å; F50-R52 VanDerWaalsContact C-N 3.32Å; R52-D54 WeakPolarHBondContact CB-OD1 3.5Å; R52-D54 IonicContact CZ-OD1 3.55Å; R52-D54 IonicContact CZ-OD2 3.6Å; R52-D54 IonicContact NE-OD1 2.93Å; R52-D54 PolarHBondContact NE-OD1 3.31Å; R52-D54 IonicContact NE-OD2 3.77Å; R52-D54 IonicContact NH2-OD1 3.37Å; R52-D54 PolarHBondContact NH2-OD1 3.29Å; R52-D54 IonicContact NH2-OD2 2.67Å; R52-D54 PolarHBondContact NH2-OD2 2.91Å; R52-D54 PolarHBondContact O-N 3.45Å; R52-D54 VanDerWaalsContact O-N 3.16Å; R52-V55 HydrophobicContact CB-CG2 4.33Å; R52-V55 PolarHBondContact O-N 3.45Å; R52-V55 VanDerWaalsContact O-N 3.08Å; R52-A56 WeakPolarHBondContact O-CA 3.34Å; R52-A56 PolarHBondContact O-N 2.92Å
53	H	97.7	Very high	97.9	Very high	175 Å²	175	42.8 Å²	42.8	81%	0.81	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	178.7	74.3	-75	0	0	0	114.7
54	D	97.4	Very high	97.9	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.9	-179.6	61.7	-33.1	0	0	0	113.8	R52	R52-D54 WeakPolarHBondContact CB-OD1 3.5Å; R52-D54 IonicContact CZ-OD1 3.55Å; R52-D54 IonicContact CZ-OD2 3.6Å; R52-D54 IonicContact NE-OD1 2.93Å; R52-D54 PolarHBondContact NE-OD1 3.31Å; R52-D54 IonicContact NE-OD2 3.77Å; R52-D54 IonicContact NH2-OD1 3.37Å; R52-D54 PolarHBondContact NH2-OD1 3.29Å; R52-D54 IonicContact NH2-OD2 2.67Å; R52-D54 PolarHBondContact NH2-OD2 2.91Å; R52-D54 PolarHBondContact O-N 3.45Å; R52-D54 VanDerWaalsContact O-N 3.16Å
55	V	97.3	Very high	97.9	Very high	35 Å²	35	44.7 Å²	44.7	21%	0.212	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-51.8	171	-176.8	0	0	0	0	110.2	Y49 F50 R52 L57	Y49-V55 HydrophobicContact CD1-CG1 4.4Å; Y49-V55 HydrophobicContact CD1-CG2 4.36Å; Y49-V55 HydrophobicContact CE1-CG1 4Å; Y49-V55 HydrophobicContact CE1-CG2 3.87Å; Y49-V55 HydrophobicContact CE2-CG2 4.16Å; F50-V55 HydrophobicContact CD1-CG1 3.68Å; F50-V55 HydrophobicContact CE1-CG1 4.24Å; R52-V55 HydrophobicContact CB-CG2 4.33Å; R52-V55 PolarHBondContact O-N 3.45Å; R52-V55 VanDerWaalsContact O-N 3.08Å; V55-L57 HydrophobicContact CG1-CD1 4.22Å; V55-L57 HydrophobicContact CG1-CG 4.38Å; V55-L57 PolarHBondContact O-N 2.92Å
56	A	96.6	Very high	97.9	Very high	59 Å²	59	48.2 Å²	48.2	49%	0.488	25%	0.251	S	S	.	.			trans	55.2	47.5	168.8	0	0	0	0	0	115.6	R52 P58	R52-A56 WeakPolarHBondContact O-CA 3.34Å; R52-A56 PolarHBondContact O-N 2.92Å; A56-P58 VanDerWaalsContact O-CD 3.25Å; A56-P58 WeakPolarHBondContact O-CD 3.49Å
57	L	97.2	Very high	97.9	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.073	26%	0.256	C	S	.	.			trans	-114.4	80.2	176.9	-66.4	172.6	0	0	0	110.6	F50 V55 G59 F60 A61 E173 D177	F50-L57 HydrophobicContact CD1-CB 3.98Å; F50-L57 HydrophobicContact CD1-CD1 3.92Å; F50-L57 HydrophobicContact CE1-CD1 4.05Å; F50-L57 PolarHBondContact O-N 2.89Å; F50-L57 VanDerWaalsContact O-N 3.07Å; V55-L57 HydrophobicContact CG1-CD1 4.22Å; V55-L57 HydrophobicContact CG1-CG 4.38Å; V55-L57 PolarHBondContact O-N 2.92Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.91Å; L57-F60 HydrophobicContact CB-CB 4.22Å; L57-F60 HydrophobicContact CB-CD2 4.01Å; L57-F60 HydrophobicContact CD1-CD2 4.2Å; L57-F60 HydrophobicContact CD1-CE2 4.49Å; L57-F60 WeakPolarHBondContact O-CB 3.37Å; L57-F60 PolarHBondContact O-N 3.27Å; L57-A61 PolarHBondContact O-N 3.22Å; L57-A61 VanDerWaalsContact O-N 3.09Å; L57-E173 HydrophobicContact CD1-CG 3.78Å; L57-E173 VanDerWaalsContact CD1-OE1 3.25Å; L57-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L57-D177 VanDerWaalsContact C-OD1 3.23Å; L57-D177 HydrophobicContact CD2-CB 4.02Å
58	P	97	Very high	97.9	Very high	57 Å²	57	49 Å²	49	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-67.3	-28.5	-168.9	26.4	-35.9	0	0	0	114.1	A56 A61 V62	A56-P58 VanDerWaalsContact O-CD 3.25Å; A56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-A61 PolarHBondContact O-N 3.1Å; P58-V62 WeakPolarHBondContact O-CB 3.43Å; P58-V62 VanDerWaalsContact O-CG2 3.3Å; P58-V62 WeakPolarHBondContact O-CG2 3.45Å; P58-V62 PolarHBondContact O-N 3.18Å
59	G	97.8	Very high	97.9	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-41.8	173.9	0	0	0	0	0	111.7	L57 F63 D177	L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.91Å; G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.43Å; G59-F63 PolarHBondContact O-N 3.49Å; G59-D177 WeakPolarHBondContact CA-OD1 3.27Å; G59-D177 PolarHBondContact N-OD1 2.87Å
60	F	98	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-44	171.1	-81.5	-89.3	0	0	0	112.4	F50 L57 V62 F63 F64 M109 L164 E173 F176 D177 L181	F50-F60 HydrophobicContact CB-CB 3.87Å; F50-F60 HydrophobicContact CD1-CB 3.76Å; F50-F60 HydrophobicContact CD1-CG 4.2Å; F50-F60 HydrophobicContact CD2-CB 3.88Å; F50-F60 HydrophobicContact CE1-CB 4.29Å; F50-F60 HydrophobicContact CE1-CD1 4.4Å; F50-F60 HydrophobicContact CE1-CG 4.29Å; F50-F60 HydrophobicContact CE2-CB 4.45Å; F50-F60 HydrophobicContact CE2-CD1 4.45Å; F50-F60 HydrophobicContact CG-CB 3.54Å; F50-F60 HydrophobicContact CG-CG 4.38Å; F50-F60 HydrophobicContact CZ-CD1 4.31Å; L57-F60 HydrophobicContact CB-CB 4.22Å; L57-F60 HydrophobicContact CB-CD2 4.01Å; L57-F60 HydrophobicContact CD1-CD2 4.2Å; L57-F60 HydrophobicContact CD1-CE2 4.49Å; L57-F60 WeakPolarHBondContact O-CB 3.37Å; L57-F60 PolarHBondContact O-N 3.27Å; F60-V62 PolarHBondContact O-N 3.13Å; F60-F63 PolarHBondContact O-N 3.42Å; F60-F64 AromaticContact CD1-CE2 3.78Å; F60-F64 HydrophobicContact CD1-CE2 3.78Å; F60-F64 HydrophobicContact CD1-CZ 4.46Å; F60-F64 VanDerWaalsContact O-CD2 3.27Å; F60-F64 WeakPolarHBondContact O-CD2 3.43Å; F60-F64 PolarHBondContact O-N 2.91Å; F60-M109 HydrophobicContact CD1-CE 3.82Å; F60-M109 HydrophobicContact CE1-CE 3.56Å; F60-M109 HydrophobicContact CE1-CG 4.07Å; F60-L164 HydrophobicContact CE1-CD1 4.17Å; F60-L164 HydrophobicContact CZ-CD1 3.91Å; F60-L164 HydrophobicContact CZ-CD2 4.03Å; F60-E173 HydrophobicContact CE2-CG 4.16Å; F60-E173 HydrophobicContact CZ-CG 4.48Å; F60-F176 HydrophobicContact CE1-CD1 4.38Å; F60-F176 HydrophobicContact CE1-CE1 4.4Å; F60-F176 AromaticContact CE2-CD1 3.86Å; F60-F176 HydrophobicContact CE2-CD1 3.86Å; F60-F176 AromaticContact CZ-CD1 3.53Å; F60-F176 HydrophobicContact CZ-CD1 3.53Å; F60-F176 AromaticContact CZ-CE1 3.97Å; F60-F176 HydrophobicContact CZ-CE1 3.97Å; F60-D177 HydrophobicContact CD2-CB 3.99Å; F60-D177 HydrophobicContact CE2-CB 4.14Å; F60-D177 PolarHBondContact N-OD1 2.99Å; F60-L181 HydrophobicContact CB-CD1 4.14Å; F60-L181 HydrophobicContact CD1-CD1 3.48Å; F60-L181 VanDerWaalsContact CD1-CD1 3.48Å; F60-L181 HydrophobicContact CD2-CD1 3.58Å; F60-L181 HydrophobicContact CE1-CD1 3.71Å; F60-L181 HydrophobicContact CE2-CD1 3.8Å; F60-L181 HydrophobicContact CG-CD1 3.44Å; F60-L181 VanDerWaalsContact CG-CD1 3.44Å; F60-L181 HydrophobicContact CZ-CD1 3.87Å
61	A	97.9	Very high	97.9	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-47.3	177.8	0	0	0	0	0	111.8	A47 F50 D51 L57 P58 R65	A47-A61 WeakPolarHBondContact CB-O 3.42Å; F50-A61 HydrophobicContact CB-CB 4.05Å; D51-A61 HydrophobicContact CB-CB 3.98Å; L57-A61 PolarHBondContact O-N 3.22Å; L57-A61 VanDerWaalsContact O-N 3.09Å; P58-A61 PolarHBondContact O-N 3.1Å; A61-R65 WeakPolarHBondContact O-CB 3.46Å; A61-R65 PolarHBondContact O-N 2.75Å
62	V	98	Very high	98	Very high	53 Å²	53	51.2 Å²	51.2	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-44.2	177	170	0	0	0	0	111.5	P58 F60 R65 R66	P58-V62 WeakPolarHBondContact O-CB 3.43Å; P58-V62 VanDerWaalsContact O-CG2 3.3Å; P58-V62 WeakPolarHBondContact O-CG2 3.45Å; P58-V62 PolarHBondContact O-N 3.18Å; F60-V62 PolarHBondContact O-N 3.13Å; V62-R65 PolarHBondContact O-N 3.21Å; V62-R66 WeakPolarHBondContact O-CG 3.39Å; V62-R66 PolarHBondContact O-N 2.74Å
63	F	98	Very high	98	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-54.5	177.8	172.3	-97.2	0	0	0	111.5	G59 F60 R65 R66 Q67 M109 L157 L181	G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.43Å; G59-F63 PolarHBondContact O-N 3.49Å; F60-F63 PolarHBondContact O-N 3.42Å; F63-R65 VanDerWaalsContact C-N 3.31Å; F63-R65 PolarHBondContact O-N 3.21Å; F63-R66 WeakPolarHBondContact O-CB 3.49Å; F63-R66 PolarHBondContact O-N 2.82Å; F63-R66 VanDerWaalsContact O-N 3.12Å; F63-Q67 HydrophobicContact CD1-CG 4.46Å; F63-Q67 HydrophobicContact CE1-CG 3.96Å; F63-Q67 HydrophobicContact CE2-CG 4.35Å; F63-Q67 HydrophobicContact CZ-CG 3.9Å; F63-Q67 PolarHBondContact O-N 3.47Å; F63-M109 HydrophobicContact CD1-CE 3.6Å; F63-M109 HydrophobicContact CE1-CE 3.48Å; F63-M109 VanDerWaalsContact CE1-CE 3.48Å; F63-M109 HydrophobicContact CE1-SD 3.96Å; F63-M109 HydrophobicContact CG-CE 4.4Å; F63-M109 HydrophobicContact CZ-CE 4.2Å; F63-L157 HydrophobicContact CE1-CD2 4.28Å; F63-L157 HydrophobicContact CZ-CD2 4.06Å; F63-L181 HydrophobicContact CB-CD1 4.23Å; F63-L181 HydrophobicContact CB-CD2 4.26Å; F63-L181 HydrophobicContact CD2-CD2 3.97Å; F63-L181 HydrophobicContact CG-CD2 4.04Å
64	F	98.2	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-28.3	-178.6	-70	-55.8	0	0	0	113	Y43 M46 A47 F50 F60 R66 Q67 S68 A108 M109 A112	Y43-F64 AromaticContact CD1-CD1 3.57Å; Y43-F64 HydrophobicContact CD1-CD1 3.57Å; Y43-F64 HydrophobicContact CD1-CE1 4.2Å; Y43-F64 HydrophobicContact CD1-CG 4.48Å; Y43-F64 AromaticContact CE1-CD1 3.81Å; Y43-F64 HydrophobicContact CE1-CD1 3.81Å; Y43-F64 HydrophobicContact CE1-CE1 4.04Å; M46-F64 HydrophobicContact CB-CB 4Å; M46-F64 HydrophobicContact CB-CD1 4.23Å; M46-F64 HydrophobicContact CB-CD2 3.81Å; M46-F64 HydrophobicContact CB-CE2 4.28Å; M46-F64 HydrophobicContact CB-CG 3.76Å; M46-F64 HydrophobicContact SD-CD1 3.92Å; M46-F64 HydrophobicContact SD-CE1 3.74Å; M46-F64 HydrophobicContact SD-CG 4.39Å; M46-F64 HydrophobicContact SD-CZ 4.06Å; A47-F64 HydrophobicContact CB-CB 3.95Å; F50-F64 AromaticContact CD2-CD2 3.66Å; F50-F64 HydrophobicContact CD2-CD2 3.66Å; F50-F64 AromaticContact CD2-CE2 3.74Å; F50-F64 HydrophobicContact CD2-CE2 3.74Å; F50-F64 AromaticContact CE2-CD2 3.79Å; F50-F64 HydrophobicContact CE2-CD2 3.79Å; F50-F64 AromaticContact CE2-CE2 3.38Å; F50-F64 HydrophobicContact CE2-CE2 3.38Å; F50-F64 HydrophobicContact CE2-CZ 4.46Å; F50-F64 HydrophobicContact CZ-CE2 4.27Å; F60-F64 AromaticContact CD1-CE2 3.78Å; F60-F64 HydrophobicContact CD1-CE2 3.78Å; F60-F64 HydrophobicContact CD1-CZ 4.46Å; F60-F64 VanDerWaalsContact O-CD2 3.27Å; F60-F64 WeakPolarHBondContact O-CD2 3.43Å; F60-F64 PolarHBondContact O-N 2.91Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.01Å; F64-Q67 PolarHBondContact O-N 3.46Å; F64-S68 WeakPolarHBondContact O-CB 3.22Å; F64-S68 PolarHBondContact O-N 3.1Å; F64-A108 HydrophobicContact CE2-CB 3.99Å; F64-A108 HydrophobicContact CZ-CB 3.93Å; F64-M109 HydrophobicContact CE1-CE 4.33Å; F64-M109 HydrophobicContact CE1-SD 4.28Å; F64-M109 HydrophobicContact CE2-CE 4.37Å; F64-M109 HydrophobicContact CZ-CE 3.84Å; F64-M109 HydrophobicContact CZ-CG 4.32Å; F64-M109 HydrophobicContact CZ-SD 3.96Å; F64-A112 HydrophobicContact CE1-CB 4.07Å
65	R	98.5	Very high	98.1	Very high	109 Å²	109	40.3 Å²	40.3	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-40.9	171	177.9	65.2	101.1	-105	0.8	111	A47 A61 V62 F63 S68 D69	A47-R65 HydrophobicContact CB-CB 4.06Å; A61-R65 WeakPolarHBondContact O-CB 3.46Å; A61-R65 PolarHBondContact O-N 2.75Å; V62-R65 PolarHBondContact O-N 3.21Å; F63-R65 VanDerWaalsContact C-N 3.31Å; F63-R65 PolarHBondContact O-N 3.21Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å; R65-S68 PolarHBondContact O-N 3.19Å; R65-D69 PolarHBondContact O-N 3.16Å
66	R	98	Very high	98.2	Very high	94 Å²	94	42.4 Å²	42.4	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-46.2	176.1	-71.5	171.2	-179.3	-175	-3.5	111.8	V62 F63 F64 S68 D69 E70 N184	V62-R66 WeakPolarHBondContact O-CG 3.39Å; V62-R66 PolarHBondContact O-N 2.74Å; F63-R66 WeakPolarHBondContact O-CB 3.49Å; F63-R66 PolarHBondContact O-N 2.82Å; F63-R66 VanDerWaalsContact O-N 3.12Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.01Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 2.67Å; R66-D69 PolarHBondContact O-N 3.33Å; R66-D69 VanDerWaalsContact O-N 3.07Å; R66-E70 WeakPolarHBondContact O-CG 3.49Å; R66-E70 PolarHBondContact O-N 2.83Å; R66-N184 VanDerWaalsContact CZ-O 3.23Å; R66-N184 PolarHBondContact NH1-O 2.88Å; R66-N184 PolarHBondContact NH2-O 3.05Å
67	Q	98.3	Very high	98.3	Very high	20 Å²	20	42.5 Å²	42.5	9%	0.093	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-41.5	174.4	-60.6	-41.7	126.6	0	0	111.6	Y43 F63 F64 D69 E70 E71	Y43-Q67 HydrophobicContact CD1-CB 3.81Å; Y43-Q67 HydrophobicContact CD1-CG 4.47Å; Y43-Q67 HydrophobicContact CD2-CB 3.69Å; Y43-Q67 HydrophobicContact CE1-CB 3.93Å; Y43-Q67 HydrophobicContact CE1-CG 4.23Å; Y43-Q67 HydrophobicContact CE2-CB 3.82Å; Y43-Q67 HydrophobicContact CG-CB 3.69Å; F63-Q67 HydrophobicContact CD1-CG 4.46Å; F63-Q67 HydrophobicContact CE1-CG 3.96Å; F63-Q67 HydrophobicContact CE2-CG 4.35Å; F63-Q67 HydrophobicContact CZ-CG 3.9Å; F63-Q67 PolarHBondContact O-N 3.47Å; F64-Q67 PolarHBondContact O-N 3.46Å; Q67-D69 VanDerWaalsContact C-N 3.3Å; Q67-D69 PolarHBondContact O-N 2.71Å; Q67-E70 PolarHBondContact NE2-OE2 3.4Å; Q67-E70 PolarHBondContact O-N 3.16Å; Q67-E70 PolarHBondContact OE1-OE2 3.29Å; Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.02Å
68	S	98.7	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-41.9	175	-178.7	0	0	0	0	112.7	S40 F64 R65 R66 R72	S40-S68 WeakPolarHBondContact CB-O 3.48Å; S40-S68 WeakPolarHBondContact O-CB 3.5Å; S40-S68 PolarHBondContact O-OG 3.32Å; S40-S68 PolarHBondContact OG-O 3.24Å; S40-S68 PolarHBondContact OG-OG 3.27Å; F64-S68 WeakPolarHBondContact O-CB 3.22Å; F64-S68 PolarHBondContact O-N 3.1Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å; R65-S68 PolarHBondContact O-N 3.19Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 2.67Å; S68-R72 WeakPolarHBondContact O-CB 3.4Å; S68-R72 PolarHBondContact O-N 2.92Å; S68-R72 VanDerWaalsContact O-N 3.16Å
69	D	98.7	Very high	98.4	Very high	60 Å²	60	40.7 Å²	40.7	32%	0.321	19%	0.185	S	C	.	.	H	α-helix	trans	-70.2	-39.8	178.1	-69.1	-24.3	0	0	0	112	R65 R66 Q67 R72 Q73	R65-D69 PolarHBondContact O-N 3.16Å; R66-D69 PolarHBondContact O-N 3.33Å; R66-D69 VanDerWaalsContact O-N 3.07Å; Q67-D69 VanDerWaalsContact C-N 3.3Å; Q67-D69 PolarHBondContact O-N 2.71Å; D69-R72 WeakPolarHBondContact O-CB 3.46Å; D69-R72 PolarHBondContact O-N 2.66Å; D69-R72 IonicContact OD1-CZ 2.75Å; D69-R72 IonicContact OD1-NH1 3.19Å; D69-R72 PolarHBondContact OD1-NH1 3.27Å; D69-R72 IonicContact OD1-NH2 3.82Å; D69-R72 PolarHBondContact OD1-NH2 3.43Å; D69-Q73 WeakPolarHBondContact O-CG 3.46Å; D69-Q73 PolarHBondContact O-N 3.04Å
70	E	98.4	Very high	98.5	Very high	76 Å²	76	48.3 Å²	48.3	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-59.7	-51	174.4	-73.9	173.3	-179.3	0	0	111.4	R66 Q67 R72 Q73 H74	R66-E70 WeakPolarHBondContact O-CG 3.49Å; R66-E70 PolarHBondContact O-N 2.83Å; Q67-E70 PolarHBondContact NE2-OE2 3.4Å; Q67-E70 PolarHBondContact O-N 3.16Å; Q67-E70 PolarHBondContact OE1-OE2 3.29Å; E70-R72 PolarHBondContact O-N 2.96Å; E70-Q73 CarbonylContact O-C 3.55Å; E70-Q73 WeakPolarHBondContact O-CA 3.42Å; E70-Q73 WeakPolarHBondContact O-CB 3.49Å; E70-Q73 PolarHBondContact O-N 2.89Å; E70-H74 PolarHBondContact O-N 3Å
71	E	98.7	Very high	98.5	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-32.4	177.9	-63.6	-44.9	147.5	0	0	112.8	A39 Y43 Q67 Q73 H74 A75	A39-E71 HydrophobicContact CB-CB 4.32Å; A39-E71 HydrophobicContact CB-CG 3.95Å; Y43-E71 HydrophobicContact CD2-CG 3.74Å; Y43-E71 HydrophobicContact CE2-CG 3.81Å; Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.02Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.2Å; E71-H74 WeakPolarHBondContact O-CB 3.32Å; E71-H74 PolarHBondContact O-N 3.08Å; E71-H74 IonicContact OE1-ND1 3.84Å; E71-H74 IonicContact OE2-CE1 3.8Å; E71-H74 IonicContact OE2-CG 3.76Å; E71-H74 IonicContact OE2-ND1 2.85Å; E71-H74 PolarHBondContact OE2-ND1 3.46Å; E71-A75 PolarHBondContact O-N 2.99Å
72	R	98.8	Very high	98.5	Very high	101 Å²	101	48.4 Å²	48.4	38%	0.381	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-38.1	172.2	-169.2	164.7	66.8	-107	-0.4	110.9	S68 D69 E70 A75 M76	S68-R72 WeakPolarHBondContact O-CB 3.4Å; S68-R72 PolarHBondContact O-N 2.92Å; S68-R72 VanDerWaalsContact O-N 3.16Å; D69-R72 WeakPolarHBondContact O-CB 3.46Å; D69-R72 PolarHBondContact O-N 2.66Å; D69-R72 IonicContact OD1-CZ 2.75Å; D69-R72 IonicContact OD1-NH1 3.19Å; D69-R72 PolarHBondContact OD1-NH1 3.27Å; D69-R72 IonicContact OD1-NH2 3.82Å; D69-R72 PolarHBondContact OD1-NH2 3.43Å; E70-R72 PolarHBondContact O-N 2.96Å; R72-A75 PolarHBondContact O-N 2.9Å; R72-M76 WeakPolarHBondContact O-CG 3.44Å; R72-M76 PolarHBondContact O-N 3.26Å; R72-M76 VanDerWaalsContact O-N 3.1Å
73	Q	98.7	Very high	98.5	Very high	118 Å²	118	49.7 Å²	49.7	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-68	-36.5	173.7	-64.2	-55.7	-26.6	0	0	112.3	D69 E70 E71 M76 K77	D69-Q73 WeakPolarHBondContact O-CG 3.46Å; D69-Q73 PolarHBondContact O-N 3.04Å; E70-Q73 CarbonylContact O-C 3.55Å; E70-Q73 WeakPolarHBondContact O-CA 3.42Å; E70-Q73 WeakPolarHBondContact O-CB 3.49Å; E70-Q73 PolarHBondContact O-N 2.89Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.2Å; Q73-M76 PolarHBondContact O-N 3.14Å; Q73-M76 VanDerWaalsContact O-N 3.16Å; Q73-K77 WeakPolarHBondContact O-CB 3.37Å; Q73-K77 PolarHBondContact O-N 3.47Å
74	H	98.7	Very high	98.5	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-49.2	171.9	-65.9	164.2	0	0	0	111.4	E36 E70 E71 M76 K77 L78 F146 E149	E36-H74 HydrophobicContact CB-CB 4.38Å; E36-H74 HydrophobicContact CG-CB 4.05Å; E70-H74 PolarHBondContact O-N 3Å; E71-H74 WeakPolarHBondContact O-CB 3.32Å; E71-H74 PolarHBondContact O-N 3.08Å; E71-H74 IonicContact OE1-ND1 3.84Å; E71-H74 IonicContact OE2-CE1 3.8Å; E71-H74 IonicContact OE2-CG 3.76Å; E71-H74 IonicContact OE2-ND1 2.85Å; E71-H74 PolarHBondContact OE2-ND1 3.46Å; H74-M76 VanDerWaalsContact C-N 3.29Å; H74-M76 PolarHBondContact O-N 2.88Å; H74-K77 WeakPolarHBondContact O-CB 3.39Å; H74-K77 PolarHBondContact O-N 3.21Å; H74-K77 VanDerWaalsContact O-N 3.13Å; H74-L78 WeakPolarHBondContact O-CG 3.27Å; H74-L78 PolarHBondContact O-N 2.78Å; H74-F146 HydrophobicContact CB-CE1 3.95Å; H74-E149 IonicContact CE1-OE1 3.68Å; H74-E149 IonicContact NE2-OE1 3.37Å; H74-E149 PolarHBondContact NE2-OE1 3.48Å; H74-E149 IonicContact NE2-OE2 3.56Å
75	A	98.8	Very high	98.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.8	-43.8	174	0	0	0	0	0	112.2	E36 L37 E71 R72 L78 I79	E36-A75 HydrophobicContact CB-CB 3.8Å; L37-A75 HydrophobicContact CD2-CB 3.66Å; L37-A75 HydrophobicContact CG-CB 3.72Å; E71-A75 PolarHBondContact O-N 2.99Å; R72-A75 PolarHBondContact O-N 2.9Å; A75-L78 PolarHBondContact O-N 3.36Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.45Å
76	M	98.8	Very high	98.4	Very high	80 Å²	80	50.6 Å²	50.6	39%	0.394	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-37.4	178.5	-66.6	-50.4	104.6	0	0	112.5	L37 R72 Q73 H74 I79 K80	L37-M76 HydrophobicContact CD2-CE 4.34Å; R72-M76 WeakPolarHBondContact O-CG 3.44Å; R72-M76 PolarHBondContact O-N 3.26Å; R72-M76 VanDerWaalsContact O-N 3.1Å; Q73-M76 PolarHBondContact O-N 3.14Å; Q73-M76 VanDerWaalsContact O-N 3.16Å; H74-M76 VanDerWaalsContact C-N 3.29Å; H74-M76 PolarHBondContact O-N 2.88Å; M76-I79 HydrophobicContact CE-CD1 3.6Å; M76-I79 PolarHBondContact O-N 3.3Å; M76-I79 HydrophobicContact SD-CD1 4.13Å; M76-K80 WeakPolarHBondContact O-CB 3.32Å; M76-K80 PolarHBondContact O-N 2.87Å
77	K	98.7	Very high	98.4	Very high	60 Å²	60	46.1 Å²	46.1	26%	0.261	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-44.7	176.4	-163.9	-172.5	-64	177.8	0	110.6	Q73 H74 K80 Y81 F141 E145 F146	Q73-K77 WeakPolarHBondContact O-CB 3.37Å; Q73-K77 PolarHBondContact O-N 3.47Å; H74-K77 WeakPolarHBondContact O-CB 3.39Å; H74-K77 PolarHBondContact O-N 3.21Å; H74-K77 VanDerWaalsContact O-N 3.13Å; K77-K80 PolarHBondContact O-N 2.94Å; K77-Y81 WeakPolarHBondContact O-CB 3.24Å; K77-Y81 PolarHBondContact O-N 3.3Å; K77-F141 HydrophobicContact CD-CE2 4.31Å; K77-F141 HydrophobicContact CG-CE2 4.21Å; K77-F141 HydrophobicContact CG-CZ 4.27Å; K77-E145 HydrophobicContact CD-CB 3.75Å; K77-E145 HydrophobicContact CD-CG 4.03Å; K77-E145 WeakPolarHBondContact CD-OE2 3.38Å; K77-E145 VanDerWaalsContact CE-OE2 3.25Å; K77-E145 WeakPolarHBondContact CE-OE2 3.48Å; K77-E145 PolarHBondContact NZ-O 3.44Å; K77-E145 IonicContact NZ-OE2 2.68Å; K77-E145 PolarHBondContact NZ-OE2 3.08Å; K77-F146 HydrophobicContact CB-CZ 4.09Å; K77-F146 HydrophobicContact CD-CE2 4.01Å; K77-F146 HydrophobicContact CD-CZ 3.74Å; K77-F146 HydrophobicContact CG-CZ 4.15Å
78	L	98.8	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-42.2	174.9	-64.3	174.5	0	0	0	112.5	L29 Q32 I33 E36 H74 A75 K80 Y81 Q82 F141 F146	L29-L78 HydrophobicContact CD2-CD2 3.8Å; Q32-L78 HydrophobicContact CB-CD1 4.02Å; Q32-L78 HydrophobicContact CG-CD1 3.6Å; I33-L78 HydrophobicContact CD1-CB 4.21Å; I33-L78 HydrophobicContact CG1-CB 3.5Å; I33-L78 HydrophobicContact CG1-CD1 4.2Å; E36-L78 HydrophobicContact CG-CD1 3.62Å; H74-L78 WeakPolarHBondContact O-CG 3.27Å; H74-L78 PolarHBondContact O-N 2.78Å; A75-L78 PolarHBondContact O-N 3.36Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.99Å; L78-Y81 PolarHBondContact O-N 3.42Å; L78-Q82 WeakPolarHBondContact O-CB 3.4Å; L78-Q82 PolarHBondContact O-N 3.36Å; L78-F141 HydrophobicContact CD2-CE1 3.87Å; L78-F141 HydrophobicContact CD2-CZ 4.24Å; L78-F146 HydrophobicContact CD1-CE1 4.45Å; L78-F146 HydrophobicContact CD2-CE1 4Å; L78-F146 HydrophobicContact CD2-CE2 3.76Å; L78-F146 HydrophobicContact CD2-CZ 3.39Å; L78-F146 HydrophobicContact CG-CE1 3.99Å; L78-F146 HydrophobicContact CG-CZ 3.65Å
79	I	98.8	Very high	98.3	Very high	34 Å²	34	53.8 Å²	53.8	17%	0.174	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-45.8	174.6	-77.6	169.6	0	0	0	111	I33 A75 M76 Y81 Q82 N83 V89 L91	I33-I79 HydrophobicContact CD1-CG1 3.71Å; I33-I79 HydrophobicContact CG1-CG1 4.05Å; I33-I79 HydrophobicContact CG2-CD1 4.05Å; I33-I79 HydrophobicContact CG2-CG1 3.92Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.45Å; M76-I79 HydrophobicContact CE-CD1 3.6Å; M76-I79 PolarHBondContact O-N 3.3Å; M76-I79 HydrophobicContact SD-CD1 4.13Å; I79-Y81 VanDerWaalsContact C-N 3.35Å; I79-Q82 PolarHBondContact O-N 2.82Å; I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 VanDerWaalsContact O-N 3.15Å; I79-N83 PolarHBondContact O-ND2 3.08Å; I79-V89 HydrophobicContact CB-CG2 4.47Å; I79-V89 HydrophobicContact CG1-CG1 4.16Å; I79-V89 HydrophobicContact CG1-CG2 4.38Å; I79-V89 HydrophobicContact CG2-CG2 4.14Å; I79-L91 HydrophobicContact CD1-CD2 4.24Å
80	K	98.6	Very high	98.3	Very high	161 Å²	161	57 Å²	57	70%	0.7	26%	0.262	S	S	*	.	H	α-helix	trans	-61.9	-45	177.7	-175	178.4	178.7	-176.4	0	110.8	M76 K77 L78 N83 L84	M76-K80 WeakPolarHBondContact O-CB 3.32Å; M76-K80 PolarHBondContact O-N 2.87Å; K77-K80 PolarHBondContact O-N 2.94Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.99Å; K80-N83 PolarHBondContact O-N 3.42Å; K80-L84 WeakPolarHBondContact O-CB 3.45Å; K80-L84 PolarHBondContact O-N 3.03Å
81	Y	98.6	Very high	98.3	Very high	12 Å²	12	58.7 Å²	58.7	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-44	178.8	-174.3	-100	0	0	0	112.8	L29 K77 L78 I79 N83 L84 R85 N137 M138 F141	L29-Y81 HydrophobicContact CD1-CD1 3.9Å; L29-Y81 HydrophobicContact CD1-CE1 4.1Å; L29-Y81 HydrophobicContact CD2-CD1 4.24Å; K77-Y81 WeakPolarHBondContact O-CB 3.24Å; K77-Y81 PolarHBondContact O-N 3.3Å; L78-Y81 PolarHBondContact O-N 3.42Å; I79-Y81 VanDerWaalsContact C-N 3.35Å; Y81-N83 VanDerWaalsContact C-N 3.31Å; Y81-N83 PolarHBondContact O-N 3.03Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.36Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; Y81-R85 HydrophobicContact CD1-CG 4.28Å; Y81-R85 HydrophobicContact CE1-CG 3.79Å; Y81-R85 HydrophobicContact CE2-CG 4.06Å; Y81-R85 PolarHBondContact O-N 2.94Å; Y81-R85 PolarHBondContact OH-NH1 3.37Å; Y81-N137 PolarHBondContact OH-O 2.93Å; Y81-N137 PolarHBondContact OH-OD1 2.77Å; Y81-M138 HydrophobicContact CE1-CB 4.31Å; Y81-M138 HydrophobicContact CE1-CG 4.08Å; Y81-M138 WeakPolarHBondContact OH-CA 3.42Å; Y81-M138 WeakPolarHBondContact OH-CB 3.36Å; Y81-M138 PolarHBondContact OH-N 2.92Å; Y81-F141 VanDerWaalsContact CB-CZ 3.4Å; Y81-F141 AromaticContact CD1-CD1 3.64Å; Y81-F141 HydrophobicContact CD1-CD1 3.64Å; Y81-F141 AromaticContact CD1-CE1 3.55Å; Y81-F141 HydrophobicContact CD1-CE1 3.55Å; Y81-F141 HydrophobicContact CD1-CG 4.32Å; Y81-F141 HydrophobicContact CD1-CZ 4.17Å; Y81-F141 HydrophobicContact CD2-CB 4.31Å; Y81-F141 AromaticContact CD2-CD1 3.78Å; Y81-F141 HydrophobicContact CD2-CD1 3.78Å; Y81-F141 AromaticContact CD2-CD2 3.62Å; Y81-F141 HydrophobicContact CD2-CD2 3.62Å; Y81-F141 AromaticContact CD2-CE1 3.91Å; Y81-F141 HydrophobicContact CD2-CE1 3.91Å; Y81-F141 AromaticContact CD2-CE2 3.76Å; Y81-F141 HydrophobicContact CD2-CE2 3.76Å; Y81-F141 AromaticContact CD2-CG 3.62Å; Y81-F141 HydrophobicContact CD2-CG 3.62Å; Y81-F141 AromaticContact CD2-CZ 3.89Å; Y81-F141 HydrophobicContact CD2-CZ 3.89Å; Y81-F141 AromaticContact CE1-CD1 3.74Å; Y81-F141 HydrophobicContact CE1-CD1 3.74Å; Y81-F141 HydrophobicContact CE1-CE1 4.13Å; Y81-F141 HydrophobicContact CE1-CG 4.27Å; Y81-F141 HydrophobicContact CE2-CB 3.77Å; Y81-F141 AromaticContact CE2-CD1 3.89Å; Y81-F141 HydrophobicContact CE2-CD1 3.89Å; Y81-F141 AromaticContact CE2-CD2 3.95Å; Y81-F141 HydrophobicContact CE2-CD2 3.95Å; Y81-F141 HydrophobicContact CE2-CE1 4.47Å; Y81-F141 AromaticContact CE2-CG 3.58Å; Y81-F141 HydrophobicContact CE2-CG 3.58Å; Y81-F141 AromaticContact CG-CD1 3.66Å; Y81-F141 HydrophobicContact CG-CD1 3.66Å; Y81-F141 HydrophobicContact CG-CD2 4.14Å; Y81-F141 AromaticContact CG-CE1 3.42Å; Y81-F141 HydrophobicContact CG-CE1 3.42Å; Y81-F141 VanDerWaalsContact CG-CE1 3.42Å; Y81-F141 AromaticContact CG-CE2 3.93Å; Y81-F141 HydrophobicContact CG-CE2 3.93Å; Y81-F141 HydrophobicContact CG-CG 4.01Å; Y81-F141 AromaticContact CG-CZ 3.55Å; Y81-F141 HydrophobicContact CG-CZ 3.55Å; Y81-F141 AromaticContact CZ-CD1 3.86Å; Y81-F141 AromaticContact CZ-CG 3.92Å
82	Q	98.5	Very high	98.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-47.7	174.7	-178.5	79.7	-85.5	0	0	111.4	E26 N30 L78 I79 G86 G87 V89	E26-Q82 PolarHBondContact O-NE2 3.08Å; N30-Q82 PolarHBondContact ND2-NE2 3.28Å; N30-Q82 PolarHBondContact OD1-NE2 3.49Å; L78-Q82 WeakPolarHBondContact O-CB 3.4Å; L78-Q82 PolarHBondContact O-N 3.36Å; I79-Q82 PolarHBondContact O-N 2.82Å; Q82-G86 PolarHBondContact O-N 3.34Å; Q82-G87 WeakPolarHBondContact O-CA 3.36Å; Q82-G87 PolarHBondContact O-N 3.12Å; Q82-V89 HydrophobicContact CB-CG2 4.09Å; Q82-V89 HydrophobicContact CG-CG2 3.82Å
83	N	97.6	Very high	98.2	Very high	80 Å²	80	66.4 Å²	66.4	43%	0.428	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-40	178.1	-71.1	-35.9	0	0	0	112	I79 K80 Y81 R85 G86	I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 VanDerWaalsContact O-N 3.15Å; I79-N83 PolarHBondContact O-ND2 3.08Å; K80-N83 PolarHBondContact O-N 3.42Å; Y81-N83 VanDerWaalsContact C-N 3.31Å; Y81-N83 PolarHBondContact O-N 3.03Å; N83-R85 VanDerWaalsContact C-N 3.3Å; N83-R85 PolarHBondContact O-N 3.3Å; N83-G86 PolarHBondContact O-N 2.88Å; N83-G86 VanDerWaalsContact O-N 3.09Å
84	L	97.3	Very high	98.2	Very high	124 Å²	124	64.3 Å²	64.3	65%	0.649	31%	0.309	S	S	*	.	H	α-helix	trans	-59.3	-39.7	178	-180	65.3	0	0	0	112.1	K80 Y81 G86	K80-L84 WeakPolarHBondContact O-CB 3.45Å; K80-L84 PolarHBondContact O-N 3.03Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.36Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; L84-G86 PolarHBondContact O-N 3.06Å
85	R	97.6	Very high	98.1	Very high	23 Å²	23	69.2 Å²	69.2	9%	0.087	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2	178.5	-63.5	-60.5	-58.3	-78.5	-9.2	114	Q19 N20 F21 Y81 N83 D135 N137	Q19-R85 PolarHBondContact O-NH2 3.04Å; N20-R85 PolarHBondContact O-NH2 3.36Å; F21-R85 HydrophobicContact CB-CB 4.5Å; F21-R85 HydrophobicContact CD1-CB 3.89Å; F21-R85 HydrophobicContact CD2-CB 3.83Å; F21-R85 HydrophobicContact CD2-CG 4.26Å; F21-R85 HydrophobicContact CE1-CB 3.98Å; F21-R85 HydrophobicContact CE2-CB 3.93Å; F21-R85 HydrophobicContact CE2-CG 4.28Å; F21-R85 HydrophobicContact CG-CB 3.81Å; F21-R85 HydrophobicContact CZ-CB 3.99Å; Y81-R85 HydrophobicContact CD1-CG 4.28Å; Y81-R85 HydrophobicContact CE1-CG 3.79Å; Y81-R85 HydrophobicContact CE2-CG 4.06Å; Y81-R85 PolarHBondContact O-N 2.94Å; Y81-R85 PolarHBondContact OH-NH1 3.37Å; N83-R85 VanDerWaalsContact C-N 3.3Å; N83-R85 PolarHBondContact O-N 3.3Å; R85-D135 IonicContact CZ-OD1 3.65Å; R85-D135 IonicContact CZ-OD2 3.29Å; R85-D135 IonicContact NH1-OD1 3.01Å; R85-D135 PolarHBondContact NH1-OD1 2.53Å; R85-D135 IonicContact NH1-OD2 2.9Å; R85-D135 PolarHBondContact NH1-OD2 3.07Å; R85-D135 IonicContact NH2-OD1 3.78Å; R85-D135 PolarHBondContact NH2-OD1 3.06Å; R85-D135 IonicContact NH2-OD2 2.62Å; R85-D135 PolarHBondContact NH2-OD2 3.43Å; R85-N137 PolarHBondContact NH1-OD1 3.4Å
86	G	97	Very high	98	Very high	6 Å²	6	76.6 Å²	76.6	6%	0.062	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	8.9	178.8	0	0	0	0	0	115.3	T15 Q82 N83 L84 R88	T15-G86 WeakPolarHBondContact CG2-O 3.33Å; T15-G86 WeakPolarHBondContact OG1-CA 3.44Å; T15-G86 PolarHBondContact OG1-O 2.88Å; Q82-G86 PolarHBondContact O-N 3.34Å; N83-G86 PolarHBondContact O-N 2.88Å; N83-G86 VanDerWaalsContact O-N 3.09Å; L84-G86 PolarHBondContact O-N 3.06Å; G86-R88 PolarHBondContact O-NH1 3.27Å
87	G	97.2	Very high	97.9	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.352	C	S	.	.			trans	-70.3	179.2	173.8	0	0	0	0	0	113.3	Q82	Q82-G87 WeakPolarHBondContact O-CA 3.36Å; Q82-G87 PolarHBondContact O-N 3.12Å
88	R	97.3	Very high	97.5	Very high	136 Å²	136	75.3 Å²	75.3	51%	0.513	37%	0.374	S	S	.	.			trans	-122.4	123.9	173.6	-65.9	-68.4	178	-85.4	1.5	110.1	E26 N30 G86	E26-R88 WeakPolarHBondContact OE1-CB 3.3Å; E26-R88 PolarHBondContact OE1-N 3.5Å; N30-R88 PolarHBondContact ND2-O 3.04Å; N30-R88 PolarHBondContact OD1-O 3.31Å; G86-R88 PolarHBondContact O-NH1 3.27Å
89	V	98.4	Very high	97.2	Very high	44 Å²	44	77.3 Å²	77.3	27%	0.267	39%	0.388	S	S	.	.			trans	-70.2	129.1	172.8	179.6	0	0	0	0	109.3	N30 I79 Q82 L91	N30-V89 WeakPolarHBondContact OD1-CA 3.47Å; I79-V89 HydrophobicContact CB-CG2 4.47Å; I79-V89 HydrophobicContact CG1-CG1 4.16Å; I79-V89 HydrophobicContact CG1-CG2 4.38Å; I79-V89 HydrophobicContact CG2-CG2 4.14Å; Q82-V89 HydrophobicContact CB-CG2 4.09Å; Q82-V89 HydrophobicContact CG-CG2 3.82Å; V89-L91 HydrophobicContact CG1-CD2 3.8Å; V89-L91 HydrophobicContact CG1-CG 4.02Å
90	K	98.1	Very high	97	Very high	129 Å²	129	80.9 Å²	80.9	56%	0.561	41%	0.407	S	S	*	.			trans	-128.6	81.4	177	-65.6	-176.1	-177.8	179.3	0	109.9	N30 Q92	N30-K90 PolarHBondContact OD1-N 2.68Å; K90-Q92 PolarHBondContact O-NE2 3.23Å; K90-Q92 VanDerWaalsContact O-NE2 3.13Å
91	L	98.3	Very high	96.8	Very high	110 Å²	110	77.3 Å²	77.3	58%	0.576	40%	0.396	S	S	*	.			trans	-58.3	141.1	177.7	-59.2	179.3	0	0	0	110.7	I33 L37 I79 V89	I33-L91 HydrophobicContact CG2-CD2 3.99Å; L37-L91 HydrophobicContact CD1-CD2 4.26Å; I79-L91 HydrophobicContact CD1-CD2 4.24Å; V89-L91 HydrophobicContact CG1-CD2 3.8Å; V89-L91 HydrophobicContact CG1-CG 4.02Å
92	Q	97.7	Very high	96.8	Very high	128 Å²	128	77.7 Å²	77.7	60%	0.598	40%	0.397	S	S	*	.			trans	-114.1	177.4	177	-59.4	-57.1	-58	0	0	109.8	K90	K90-Q92 PolarHBondContact O-NE2 3.23Å; K90-Q92 VanDerWaalsContact O-NE2 3.13Å
93	N	98.4	Very high	96.7	Very high	140 Å²	140	79.5 Å²	79.5	75%	0.749	42%	0.416	S	S	*	.			trans	-63.8	136.3	168	-65.7	-16.2	0	0	0	109.4	N34	N34-N93 PolarHBondContact ND2-O 3.03Å; N34-N93 PolarHBondContact OD1-O 2.7Å
94	I	98.4	Very high	96.7	Very high	74 Å²	74	77 Å²	77	38%	0.379	41%	0.405	S	S	.	.			trans	-91.6	113.8	170.4	-56.5	163.4	0	0	0	106.2	L37 N41	L37-I94 HydrophobicContact CB-CD1 3.74Å; L37-I94 HydrophobicContact CB-CG1 3.95Å; L37-I94 HydrophobicContact CD1-CD1 4.2Å; L37-I94 HydrophobicContact CG-CD1 4.38Å; N41-I94 HydrophobicContact CB-CG2 4.05Å
95	D	96.7	Very high	96.7	Very high	112 Å²	112	71.1 Å²	71.1	60%	0.599	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-62	148.4	178.2	-70.9	-37.1	0	0	0	110.5	Y38 N41	Y38-D95 HydrophobicContact CD2-CB 4.28Å; Y38-D95 WeakPolarHBondContact CD2-O 3.4Å; Y38-D95 HydrophobicContact CE2-CB 4.31Å; N41-D95 PolarHBondContact ND2-O 3.27Å
96	K	97.4	Very high	96.7	Very high	155 Å²	155	71.9 Å²	71.9	67%	0.674	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-66.1	153.2	172.2	70.2	166.2	-167.6	158.5	0	109.9
97	P	96.6	Very high	96.8	Very high	10 Å²	10	76.9 Å²	76.9	7%	0.065	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-56.3	153	173.4	-25.5	37.8	0	0	0	111.9	L42 S99 W102	L42-P97 HydrophobicContact CG-CB 4.34Å; P97-S99 PolarHBondContact O-N 3.4Å; P97-W102 HydrophobicContact CB-CZ2 4.14Å
98	S	89.9	Confident	96.8	Very high	104 Å²	104	76.9 Å²	76.9	73%	0.727	40%	0.401	S	S	*	.	S	Bend	trans	-68.2	-19.1	-180	54	0	0	0	0	113.7
99	S	93.3	Very high	96.8	Very high	41 Å²	41	70.4 Å²	70.4	29%	0.287	38%	0.377	S	S	.	.			trans	-140.9	148.8	176.5	-163.1	0	0	0	0	111.7	S45 P97 D101 W102	S45-S99 PolarHBondContact OG-O 3.15Å; P97-S99 PolarHBondContact O-N 3.4Å; S99-D101 PolarHBondContact OG-N 3.29Å; S99-D101 VanDerWaalsContact OG-N 3.14Å; S99-D101 PolarHBondContact OG-O 2.98Å; S99-W102 WeakPolarHBondContact O-CZ2 3.3Å
100	D	93	Very high	96.8	Very high	110 Å²	110	73.2 Å²	73.2	59%	0.588	39%	0.386	S	S	*	.	S	Bend	trans	-103.4	-7.3	168.9	-56.3	-53.6	0	0	0	111.3
101	D	96.4	Very high	96.9	Very high	86 Å²	86	68.7 Å²	68.7	46%	0.46	37%	0.372	S	S	.	.			trans	-124.4	120.6	175.9	-160.8	-40.6	0	0	0	109.7	Y49 S99 G103	Y49-D101 HydrophobicContact CE2-CB 4.28Å; Y49-D101 WeakPolarHBondContact CE2-OD1 3.43Å; Y49-D101 VanDerWaalsContact CZ-OD1 3.29Å; Y49-D101 PolarHBondContact OH-OD1 3.13Å; S99-D101 PolarHBondContact OG-N 3.29Å; S99-D101 VanDerWaalsContact OG-N 3.14Å; S99-D101 PolarHBondContact OG-O 2.98Å; D101-G103 PolarHBondContact OD1-N 3.46Å
102	W	97.6	Very high	96.9	Very high	19 Å²	19	63.4 Å²	63.4	7%	0.072	34%	0.344	C	S	.	.			trans	-101.7	4.3	-175	-61.1	98.1	0	0	0	113.4	L42 S45 M46 Y49 P97 S99 S104 E107 A108 A111	L42-W102 HydrophobicContact CD1-CH2 4.17Å; L42-W102 HydrophobicContact CD2-CH2 3.55Å; L42-W102 HydrophobicContact CD2-CZ2 3.96Å; L42-W102 HydrophobicContact CD2-CZ3 4.25Å; L42-W102 HydrophobicContact CG-CH2 3.7Å; L42-W102 HydrophobicContact CG-CZ2 4.05Å; S45-W102 PolarHBondContact OG-NE1 3.25Å; M46-W102 HydrophobicContact CE-CD2 4.01Å; M46-W102 HydrophobicContact CE-CE3 3.54Å; M46-W102 HydrophobicContact CE-CH2 3.85Å; M46-W102 HydrophobicContact CE-CZ2 4.27Å; M46-W102 HydrophobicContact CE-CZ3 3.46Å; M46-W102 VanDerWaalsContact CE-CZ3 3.46Å; M46-W102 HydrophobicContact CG-CD2 3.62Å; M46-W102 VanDerWaalsContact CG-CE2 3.5Å; M46-W102 HydrophobicContact CG-CE3 4.16Å; M46-W102 HydrophobicContact CG-CG 3.94Å; M46-W102 HydrophobicContact CG-CH2 4.43Å; M46-W102 HydrophobicContact CG-CZ2 3.92Å; Y49-W102 HydrophobicContact CD1-CB 3.87Å; Y49-W102 HydrophobicContact CE1-CB 4.08Å; Y49-W102 HydrophobicContact CG-CB 4.15Å; Y49-W102 AromaticContact CG-CD1 3.77Å; Y49-W102 HydrophobicContact CG-CG 4.39Å; P97-W102 HydrophobicContact CB-CZ2 4.14Å; S99-W102 WeakPolarHBondContact O-CZ2 3.3Å; W102-S104 PolarHBondContact O-N 3.42Å; W102-E107 WeakPolarHBondContact O-CB 3.42Å; W102-A108 HydrophobicContact CB-CB 4.12Å; W102-A111 HydrophobicContact CE3-CB 4.2Å; W102-A111 HydrophobicContact CZ3-CB 3.91Å
103	G	96.2	Very high	96.9	Very high	38 Å²	38	58.4 Å²	58.4	39%	0.392	32%	0.321	S	S	.	.			trans	66.6	-88.1	175.8	0	0	0	0	0	113.3	Y49 D101	Y49-G103 WeakPolarHBondContact OH-CA 3.44Å; Y49-G103 PolarHBondContact OH-N 3.5Å; Y49-G103 VanDerWaalsContact OH-N 3.17Å; Y49-G103 PolarHBondContact OH-O 3.08Å; D101-G103 PolarHBondContact OD1-N 3.46Å
104	S	97.1	Very high	96.9	Very high	28 Å²	28	54.7 Å²	54.7	20%	0.196	31%	0.31	C	S	.	.	S	Bend	trans	-128	161.6	-179.6	58.7	0	0	0	0	111.2	W102 L106 E107 A108	W102-S104 PolarHBondContact O-N 3.42Å; S104-L106 PolarHBondContact O-N 3.46Å; S104-E107 PolarHBondContact N-OE2 2.85Å; S104-E107 VanDerWaalsContact N-OE2 3.09Å; S104-E107 PolarHBondContact O-N 3.33Å; S104-E107 WeakPolarHBondContact OG-CG 3.46Å; S104-E107 PolarHBondContact OG-N 3.31Å; S104-E107 PolarHBondContact OG-OE2 2.93Å; S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 2.98Å
105	G	97.5	Very high	96.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-53.4	-34.5	170.6	0	0	0	0	0	112.1	M109 E173	G105-M109 VanDerWaalsContact O-CB 3.25Å; G105-M109 WeakPolarHBondContact O-CB 3.38Å; G105-M109 WeakPolarHBondContact O-CG 3.33Å; G105-M109 PolarHBondContact O-N 2.9Å; G105-E173 VanDerWaalsContact CA-OE1 3.3Å; G105-E173 WeakPolarHBondContact CA-OE1 3.38Å; G105-E173 PolarHBondContact N-OE1 3.39Å
106	L	98.2	Very high	97	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-44.5	173.7	178.7	58.3	0	0	0	112	S104 K110 V161 L164 S165	S104-L106 PolarHBondContact O-N 3.46Å; L106-K110 HydrophobicContact CD1-CD 4.48Å; L106-K110 HydrophobicContact CG-CD 4.46Å; L106-K110 WeakPolarHBondContact O-CG 3.3Å; L106-K110 PolarHBondContact O-N 3.4Å; L106-V161 HydrophobicContact CD1-CG1 4.03Å; L106-V161 WeakPolarHBondContact CD1-O 3.5Å; L106-L164 HydrophobicContact CB-CB 4.23Å; L106-L164 HydrophobicContact CD1-CB 3.84Å; L106-S165 WeakPolarHBondContact CD1-OG 3.38Å
107	E	98.2	Very high	97	Very high	110 Å²	110	44.8 Å²	44.8	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-43.7	178.4	-73	170.7	124.4	0	0	111.5	W102 S104 M109 K110 A111	W102-E107 WeakPolarHBondContact O-CB 3.42Å; S104-E107 PolarHBondContact N-OE2 2.85Å; S104-E107 VanDerWaalsContact N-OE2 3.09Å; S104-E107 PolarHBondContact O-N 3.33Å; S104-E107 WeakPolarHBondContact OG-CG 3.46Å; S104-E107 PolarHBondContact OG-N 3.31Å; S104-E107 PolarHBondContact OG-OE2 2.93Å; E107-M109 PolarHBondContact O-N 2.94Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.48Å; E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 2.92Å
108	A	98.1	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-44.9	174.1	0	0	0	0	0	112.1	M46 F50 F64 W102 S104 K110 A111 A112	M46-A108 WeakPolarHBondContact CE-O 3.49Å; F50-A108 HydrophobicContact CE2-CB 3.5Å; F50-A108 HydrophobicContact CZ-CB 3.51Å; F64-A108 HydrophobicContact CE2-CB 3.99Å; F64-A108 HydrophobicContact CZ-CB 3.93Å; W102-A108 HydrophobicContact CB-CB 4.12Å; S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 2.98Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.26Å; A108-A111 PolarHBondContact O-N 2.88Å; A108-A112 WeakPolarHBondContact O-CB 3.27Å; A108-A112 PolarHBondContact O-N 3.25Å
109	M	98.3	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-34.2	176.9	-72.6	-73	177.9	0	0	112.5	F60 F63 F64 G105 E107 L113 L157 H160 V161 L164 F176 L181	F60-M109 HydrophobicContact CD1-CE 3.82Å; F60-M109 HydrophobicContact CE1-CE 3.56Å; F60-M109 HydrophobicContact CE1-CG 4.07Å; F63-M109 HydrophobicContact CD1-CE 3.6Å; F63-M109 HydrophobicContact CE1-CE 3.48Å; F63-M109 VanDerWaalsContact CE1-CE 3.48Å; F63-M109 HydrophobicContact CE1-SD 3.96Å; F63-M109 HydrophobicContact CG-CE 4.4Å; F63-M109 HydrophobicContact CZ-CE 4.2Å; F64-M109 HydrophobicContact CE1-CE 4.33Å; F64-M109 HydrophobicContact CE1-SD 4.28Å; F64-M109 HydrophobicContact CE2-CE 4.37Å; F64-M109 HydrophobicContact CZ-CE 3.84Å; F64-M109 HydrophobicContact CZ-CG 4.32Å; F64-M109 HydrophobicContact CZ-SD 3.96Å; G105-M109 VanDerWaalsContact O-CB 3.25Å; G105-M109 WeakPolarHBondContact O-CB 3.38Å; G105-M109 WeakPolarHBondContact O-CG 3.33Å; G105-M109 PolarHBondContact O-N 2.9Å; E107-M109 PolarHBondContact O-N 2.94Å; M109-L113 WeakPolarHBondContact O-CB 3.33Å; M109-L113 PolarHBondContact O-N 2.98Å; M109-L157 HydrophobicContact SD-CD2 3.74Å; M109-H160 HydrophobicContact CG-CB 4.48Å; M109-H160 HydrophobicContact SD-CB 4.05Å; M109-V161 HydrophobicContact CB-CG2 3.76Å; M109-L164 HydrophobicContact CB-CD1 4.27Å; M109-L164 HydrophobicContact CG-CD1 3.77Å; M109-F176 HydrophobicContact CE-CE1 4.48Å; M109-L181 HydrophobicContact CE-CD1 4.02Å; M109-L181 HydrophobicContact CE-CD2 4.3Å
110	K	98.4	Very high	97.8	Very high	104 Å²	104	42.4 Å²	42.4	45%	0.452	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-41.4	172.3	-76.7	174.1	178.7	174.3	0	111.7	L106 E107 A108 L113 A114 V161	L106-K110 HydrophobicContact CD1-CD 4.48Å; L106-K110 HydrophobicContact CG-CD 4.46Å; L106-K110 WeakPolarHBondContact O-CG 3.3Å; L106-K110 PolarHBondContact O-N 3.4Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.48Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.26Å; K110-L113 PolarHBondContact O-N 3.17Å; K110-A114 PolarHBondContact O-N 2.91Å; K110-V161 HydrophobicContact CG-CG1 3.83Å; K110-V161 HydrophobicContact CG-CG2 3.98Å
111	A	98.3	Very high	98.1	Very high	33 Å²	33	41.9 Å²	41.9	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-43.6	175.8	0	0	0	0	0	111.4	M46 W102 E107 A108 A114 L115	M46-A111 HydrophobicContact CE-CB 3.64Å; W102-A111 HydrophobicContact CE3-CB 4.2Å; W102-A111 HydrophobicContact CZ3-CB 3.91Å; E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 2.92Å; A108-A111 PolarHBondContact O-N 2.88Å; A111-A114 PolarHBondContact O-N 3Å; A111-L115 PolarHBondContact O-N 3.03Å
112	A	98.4	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-45.8	173	0	0	0	0	0	111.8	Y43 M46 F64 A108 A114 L115 E116 L157	Y43-A112 HydrophobicContact CE1-CB 3.73Å; M46-A112 HydrophobicContact CE-CB 4.43Å; M46-A112 HydrophobicContact SD-CB 4.42Å; F64-A112 HydrophobicContact CE1-CB 4.07Å; A108-A112 WeakPolarHBondContact O-CB 3.27Å; A108-A112 PolarHBondContact O-N 3.25Å; A112-A114 VanDerWaalsContact C-N 3.29Å; A112-A114 PolarHBondContact O-N 3.49Å; A112-L115 WeakPolarHBondContact O-CB 3.45Å; A112-L115 PolarHBondContact O-N 3.17Å; A112-L115 VanDerWaalsContact O-N 3.14Å; A112-E116 PolarHBondContact O-N 2.95Å; A112-L157 HydrophobicContact CB-CD1 4.15Å; A112-L157 HydrophobicContact CB-CD2 4.09Å
113	L	98.7	Very high	98.2	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-37.9	176.6	179.1	61.2	0	0	0	112.5	M109 K110 K117 I154 L157 V161	M109-L113 WeakPolarHBondContact O-CB 3.33Å; M109-L113 PolarHBondContact O-N 2.98Å; K110-L113 PolarHBondContact O-N 3.17Å; L113-K117 WeakPolarHBondContact O-CG 3.46Å; L113-K117 PolarHBondContact O-N 3.14Å; L113-I154 HydrophobicContact CD1-CB 4.49Å; L113-I154 HydrophobicContact CD1-CG2 3.89Å; L113-I154 WeakPolarHBondContact CD1-O 3.47Å; L113-L157 HydrophobicContact CB-CB 4.18Å; L113-L157 HydrophobicContact CD1-CB 3.99Å; L113-V161 HydrophobicContact CD2-CG2 4.32Å
114	A	98.4	Very high	98.4	Very high	62 Å²	62	39.1 Å²	39.1	51%	0.512	21%	0.214	S	C	.	.	H	α-helix	trans	-69	-40.4	175.3	0	0	0	0	0	111.8	K110 A111 A112 K117 S118	K110-A114 PolarHBondContact O-N 2.91Å; A111-A114 PolarHBondContact O-N 3Å; A112-A114 VanDerWaalsContact C-N 3.29Å; A112-A114 PolarHBondContact O-N 3.49Å; A114-K117 PolarHBondContact O-N 3.26Å; A114-S118 PolarHBondContact O-N 2.87Å; A114-S118 VanDerWaalsContact O-N 3.12Å
115	L	98.1	Very high	98.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-52.8	173.7	174.1	64.9	0	0	0	110.9	Y38 A39 L42 Y43 A111 A112 K117 S118 V119	Y38-L115 HydrophobicContact CD1-CD1 4.42Å; Y38-L115 HydrophobicContact CE1-CD1 4.29Å; A39-L115 HydrophobicContact CB-CD1 4.1Å; A39-L115 HydrophobicContact CB-CD2 3.95Å; A39-L115 HydrophobicContact CB-CG 4.27Å; L42-L115 HydrophobicContact CB-CD2 4.27Å; L42-L115 HydrophobicContact CD1-CD1 4.45Å; L42-L115 HydrophobicContact CD1-CD2 4.28Å; L42-L115 HydrophobicContact CD2-CD2 3.97Å; L42-L115 HydrophobicContact CG-CD2 4.39Å; Y43-L115 HydrophobicContact CD2-CD2 4.31Å; Y43-L115 HydrophobicContact CE2-CD2 3.96Å; A111-L115 PolarHBondContact O-N 3.03Å; A112-L115 WeakPolarHBondContact O-CB 3.45Å; A112-L115 PolarHBondContact O-N 3.17Å; A112-L115 VanDerWaalsContact O-N 3.14Å; L115-K117 VanDerWaalsContact C-N 3.27Å; L115-K117 PolarHBondContact O-N 2.88Å; L115-S118 CarbonylContact O-C 3.56Å; L115-S118 WeakPolarHBondContact O-CA 3.17Å; L115-S118 VanDerWaalsContact O-CB 3.3Å; L115-S118 WeakPolarHBondContact O-CB 3.04Å; L115-S118 PolarHBondContact O-N 3.01Å; L115-V119 HydrophobicContact CD1-CG2 4.13Å; L115-V119 HydrophobicContact CG-CG2 4.33Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 3.07Å
116	E	98.7	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-36.8	-178	-71.5	-50.8	151.1	0	0	113.3	Y43 A112 S118 V119 N120 Q150 I154 L157	Y43-E116 VanDerWaalsContact CE2-OE1 3.3Å; Y43-E116 WeakPolarHBondContact CE2-OE1 3.43Å; Y43-E116 VanDerWaalsContact CZ-OE1 3.32Å; Y43-E116 PolarHBondContact OH-OE1 3.39Å; A112-E116 PolarHBondContact O-N 2.95Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 3.41Å; E116-V119 PolarHBondContact O-N 3.35Å; E116-N120 VanDerWaalsContact O-CB 3.27Å; E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 PolarHBondContact O-N 2.98Å; E116-Q150 PolarHBondContact O-NE2 2.92Å; E116-Q150 PolarHBondContact OE2-NE2 3.48Å; E116-I154 HydrophobicContact CB-CG1 3.73Å; E116-L157 HydrophobicContact CB-CD1 4.23Å; E116-L157 HydrophobicContact CG-CD1 3.37Å
117	K	98.7	Very high	98.5	Very high	118 Å²	118	42.5 Å²	42.5	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-37.8	173.2	-74.7	179	176.7	-176.3	0	111.9	L113 A114 L115 Q121 I154	L113-K117 WeakPolarHBondContact O-CG 3.46Å; L113-K117 PolarHBondContact O-N 3.14Å; A114-K117 PolarHBondContact O-N 3.26Å; L115-K117 VanDerWaalsContact C-N 3.27Å; L115-K117 PolarHBondContact O-N 2.88Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 PolarHBondContact O-N 2.97Å; K117-I154 HydrophobicContact CG-CD1 4.07Å; K117-I154 HydrophobicContact CG-CG1 4.3Å; K117-I154 HydrophobicContact CG-CG2 4.31Å
118	S	98.4	Very high	98.5	Very high	78 Å²	78	39.6 Å²	39.6	55%	0.545	22%	0.221	S	C	.	.	H	α-helix	trans	-69	-42.1	175.5	-171.3	0	0	0	0	112.1	A114 L115 E116 Q121 G122	A114-S118 PolarHBondContact O-N 2.87Å; A114-S118 VanDerWaalsContact O-N 3.12Å; L115-S118 CarbonylContact O-C 3.56Å; L115-S118 WeakPolarHBondContact O-CA 3.17Å; L115-S118 VanDerWaalsContact O-CB 3.3Å; L115-S118 WeakPolarHBondContact O-CB 3.04Å; L115-S118 PolarHBondContact O-N 3.01Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 3.41Å; S118-Q121 PolarHBondContact O-N 3.05Å; S118-G122 PolarHBondContact O-N 3.33Å
119	V	98.6	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-48.3	175.2	173.9	0	0	0	0	109.9	I35 E36 A39 L115 E116 Q121 G122 L123	I35-V119 HydrophobicContact CG2-CB 4.46Å; I35-V119 HydrophobicContact CG2-CG2 3.94Å; E36-V119 VanDerWaalsContact OE2-CG1 3.32Å; E36-V119 WeakPolarHBondContact OE2-CG1 3.46Å; A39-V119 HydrophobicContact CB-CG2 4.09Å; L115-V119 HydrophobicContact CD1-CG2 4.13Å; L115-V119 HydrophobicContact CG-CG2 4.33Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 3.07Å; E116-V119 PolarHBondContact O-N 3.35Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 2.91Å; V119-G122 WeakPolarHBondContact O-CA 3.15Å; V119-G122 PolarHBondContact O-N 3.19Å; V119-L123 HydrophobicContact CG1-CD1 4.26Å; V119-L123 PolarHBondContact O-N 3.43Å
120	N	98.7	Very high	98.6	Very high	26 Å²	26	40.8 Å²	40.8	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-39.9	177.4	-170.6	39.1	0	0	0	112.2	E116 G122 L123 L124 Q150 I154	E116-N120 VanDerWaalsContact O-CB 3.27Å; E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 PolarHBondContact O-N 2.98Å; N120-G122 VanDerWaalsContact C-N 3.3Å; N120-G122 PolarHBondContact O-N 2.87Å; N120-L123 PolarHBondContact O-N 3.37Å; N120-L124 WeakPolarHBondContact O-CG 3.38Å; N120-L124 PolarHBondContact O-N 3.46Å; N120-Q150 HydrophobicContact CB-CB 3.96Å; N120-Q150 HydrophobicContact CB-CG 4.08Å; N120-Q150 WeakPolarHBondContact OD1-CB 3.3Å; N120-I154 HydrophobicContact CB-CD1 3.93Å
121	Q	98.7	Very high	98.6	Very high	100 Å²	100	41.7 Å²	41.7	47%	0.467	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-39.5	174.5	-172.8	58.1	54.7	0	0	111.8	K117 S118 V119 L124 E125	K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 PolarHBondContact O-N 2.97Å; S118-Q121 PolarHBondContact O-N 3.05Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 2.91Å; Q121-L124 PolarHBondContact O-N 2.93Å; Q121-E125 WeakPolarHBondContact O-CG 3.39Å; Q121-E125 PolarHBondContact O-N 2.71Å
122	G	98.6	Very high	98.6	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-41.9	172.7	0	0	0	0	0	112.9	Q32 S118 V119 N120 E125 L126	Q32-G122 VanDerWaalsContact OE1-C 3.24Å; S118-G122 PolarHBondContact O-N 3.33Å; V119-G122 WeakPolarHBondContact O-CA 3.15Å; V119-G122 PolarHBondContact O-N 3.19Å; N120-G122 VanDerWaalsContact C-N 3.3Å; N120-G122 PolarHBondContact O-N 2.87Å; G122-E125 PolarHBondContact O-N 2.93Å; G122-L126 WeakPolarHBondContact O-CB 3.32Å; G122-L126 PolarHBondContact O-N 3.31Å
123	L	98.8	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-40	175.8	-71.4	162.5	0	0	0	112.6	Q32 V119 N120 L126 H127 L142 F146 L147 Q150	Q32-L123 HydrophobicContact CG-CD2 3.94Å; V119-L123 HydrophobicContact CG1-CD1 4.26Å; V119-L123 PolarHBondContact O-N 3.43Å; N120-L123 PolarHBondContact O-N 3.37Å; L123-L126 PolarHBondContact O-N 2.86Å; L123-H127 WeakPolarHBondContact O-CB 3.46Å; L123-H127 PolarHBondContact O-N 3.08Å; L123-L142 HydrophobicContact CD2-CD2 4.09Å; L123-F146 HydrophobicContact CD1-CB 3.77Å; L123-F146 HydrophobicContact CD1-CG 4.49Å; L123-F146 HydrophobicContact CD2-CB 3.95Å; L123-F146 HydrophobicContact CD2-CD1 4.28Å; L123-F146 HydrophobicContact CD2-CG 4.06Å; L123-F146 HydrophobicContact CG-CB 4.48Å; L123-L147 HydrophobicContact CB-CD2 3.72Å; L123-Q150 HydrophobicContact CD1-CG 3.53Å
124	L	98.7	Very high	98.6	Very high	78 Å²	78	54.1 Å²	54.1	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-42.3	175.3	-68.9	172	0	0	0	111.8	N120 Q121 L126 H127 A128 L147	N120-L124 WeakPolarHBondContact O-CG 3.38Å; N120-L124 PolarHBondContact O-N 3.46Å; Q121-L124 PolarHBondContact O-N 2.93Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.37Å; L124-H127 PolarHBondContact O-N 3.15Å; L124-A128 PolarHBondContact O-N 3.3Å; L124-L147 HydrophobicContact CD2-CD1 4.44Å; L124-L147 HydrophobicContact CD2-CD2 3.86Å; L124-L147 HydrophobicContact CG-CD2 4.22Å
125	E	98.7	Very high	98.6	Very high	89 Å²	89	51.2 Å²	51.2	42%	0.416	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-43	172.4	-73.7	172.8	-166.9	0	0	111.4	K31 Q121 G122 A128 I129	K31-E125 IonicContact NZ-OE2 3.37Å; K31-E125 PolarHBondContact NZ-OE2 3.47Å; Q121-E125 WeakPolarHBondContact O-CG 3.39Å; Q121-E125 PolarHBondContact O-N 2.71Å; G122-E125 PolarHBondContact O-N 2.93Å; E125-A128 PolarHBondContact O-N 2.96Å; E125-I129 WeakPolarHBondContact O-CG1 3.48Å; E125-I129 PolarHBondContact O-N 3.39Å
126	L	98.8	Very high	98.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-39.9	178.4	-173.6	58.6	0	0	0	112.1	L29 Q32 G122 L123 L124 I129 A130 M138 L142	L29-L126 HydrophobicContact CD2-CD2 3.96Å; L29-L126 HydrophobicContact CG-CD2 4.25Å; Q32-L126 HydrophobicContact CB-CD2 3.83Å; Q32-L126 HydrophobicContact CG-CD2 4.15Å; G122-L126 WeakPolarHBondContact O-CB 3.32Å; G122-L126 PolarHBondContact O-N 3.31Å; L123-L126 PolarHBondContact O-N 2.86Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.37Å; L126-I129 HydrophobicContact CD1-CD1 4.38Å; L126-I129 WeakPolarHBondContact O-CB 3.38Å; L126-I129 PolarHBondContact O-N 3.16Å; L126-A130 PolarHBondContact O-N 2.78Å; L126-A130 VanDerWaalsContact O-N 3.08Å; L126-M138 HydrophobicContact CD1-CE 3.33Å; L126-M138 HydrophobicContact CD2-CE 3.96Å; L126-M138 HydrophobicContact CG-CE 3.48Å; L126-M138 VanDerWaalsContact CG-CE 3.48Å; L126-L142 HydrophobicContact CB-CD1 4.32Å; L126-L142 HydrophobicContact CD2-CD1 4.25Å; L126-L142 HydrophobicContact CD2-CD2 3.77Å; L126-L142 HydrophobicContact CG-CD1 3.87Å; L126-L142 HydrophobicContact CG-CD2 4.31Å
127	H	98.8	Very high	98.6	Very high	45 Å²	45	58.3 Å²	58.3	21%	0.208	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-42.7	173.7	-174.6	-73.4	0	0	0	111.2	L123 L124 I129 A130 E131 L142 L147	L123-H127 WeakPolarHBondContact O-CB 3.46Å; L123-H127 PolarHBondContact O-N 3.08Å; L124-H127 PolarHBondContact O-N 3.15Å; H127-I129 VanDerWaalsContact C-N 3.28Å; H127-I129 PolarHBondContact O-N 3.14Å; H127-A130 WeakPolarHBondContact O-CB 3.39Å; H127-A130 PolarHBondContact O-N 3.1Å; H127-A130 VanDerWaalsContact O-N 3.08Å; H127-E131 PolarHBondContact O-N 3.07Å; H127-L142 HydrophobicContact CB-CD1 4.11Å; H127-L147 HydrophobicContact CB-CD1 4.48Å
128	A	98.7	Very high	98.6	Very high	49 Å²	49	52.7 Å²	52.7	41%	0.405	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-32.1	175.8	0	0	0	0	0	112.9	L124 E125 R132	L124-A128 PolarHBondContact O-N 3.3Å; E125-A128 PolarHBondContact O-N 2.96Å; A128-R132 VanDerWaalsContact O-CB 3.27Å; A128-R132 WeakPolarHBondContact O-CB 3.45Å; A128-R132 PolarHBondContact O-N 3.07Å
129	I	98.7	Very high	98.6	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-48.3	169.7	-66.8	163.7	0	0	0	110.1	E24 E125 L126 H127 E131 R132 H133	E24-I129 HydrophobicContact CB-CG2 4.12Å; E24-I129 HydrophobicContact CG-CD1 4.47Å; E24-I129 HydrophobicContact CG-CG1 4.47Å; E24-I129 HydrophobicContact CG-CG2 3.83Å; E125-I129 WeakPolarHBondContact O-CG1 3.48Å; E125-I129 PolarHBondContact O-N 3.39Å; L126-I129 HydrophobicContact CD1-CD1 4.38Å; L126-I129 WeakPolarHBondContact O-CB 3.38Å; L126-I129 PolarHBondContact O-N 3.16Å; H127-I129 VanDerWaalsContact C-N 3.28Å; H127-I129 PolarHBondContact O-N 3.14Å; I129-E131 PolarHBondContact O-N 2.95Å; I129-R132 VanDerWaalsContact CG1-NH2 3.33Å; I129-R132 PolarHBondContact O-N 3.09Å; I129-H133 PolarHBondContact O-CD2 3.24Å; I129-H133 PolarHBondContact O-N 2.85Å
130	A	98.7	Very high	98.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-46	179.5	0	0	0	0	0	112	L126 H127 H133 N134 D135 M138	L126-A130 PolarHBondContact O-N 2.78Å; L126-A130 VanDerWaalsContact O-N 3.08Å; H127-A130 WeakPolarHBondContact O-CB 3.39Å; H127-A130 PolarHBondContact O-N 3.1Å; H127-A130 VanDerWaalsContact O-N 3.08Å; A130-H133 CarbonylContact O-C 3.51Å; A130-H133 PolarHBondContact O-N 3.3Å; A130-N134 PolarHBondContact O-N 2.87Å; A130-N134 VanDerWaalsContact O-N 3.13Å; A130-D135 HydrophobicContact CB-CB 4.44Å; A130-D135 PolarHBondContact O-N 3.44Å; A130-M138 HydrophobicContact CB-CB 3.85Å; A130-M138 HydrophobicContact CB-CE 4.47Å; A130-M138 HydrophobicContact CB-CG 3.74Å; A130-M138 HydrophobicContact CB-SD 4.07Å
131	E	98.5	Very high	98.6	Very high	124 Å²	124	54.4 Å²	54.4	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-61.5	-46.8	178.5	-174.5	176.9	-163.3	0	0	111.9	H127 I129 H133 N134	H127-E131 PolarHBondContact O-N 3.07Å; I129-E131 PolarHBondContact O-N 2.95Å; E131-H133 PolarHBondContact O-N 3.27Å; E131-N134 PolarHBondContact O-N 3.37Å
132	R	98.5	Very high	98.6	Very high	141 Å²	141	49.7 Å²	49.7	53%	0.532	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-31.4	177	171.1	166.9	39.7	130.4	-0.2	113.2	E24 A128 I129	E24-R132 VanDerWaalsContact CD-NH1 3.31Å; E24-R132 IonicContact OE1-CZ 3.17Å; E24-R132 IonicContact OE1-NH1 2.83Å; E24-R132 PolarHBondContact OE1-NH1 3.43Å; E24-R132 IonicContact OE1-NH2 2.67Å; E24-R132 PolarHBondContact OE1-NH2 2.95Å; E24-R132 IonicContact OE2-CZ 2.88Å; E24-R132 IonicContact OE2-NH1 3Å; E24-R132 PolarHBondContact OE2-NH1 3.25Å; E24-R132 IonicContact OE2-NH2 3.38Å; A128-R132 VanDerWaalsContact O-CB 3.27Å; A128-R132 WeakPolarHBondContact O-CB 3.45Å; A128-R132 PolarHBondContact O-N 3.07Å; I129-R132 VanDerWaalsContact CG1-NH2 3.33Å; I129-R132 PolarHBondContact O-N 3.09Å
133	H	98.3	Very high	98.6	Very high	43 Å²	43	50.6 Å²	50.6	20%	0.199	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.7	176.4	-68.6	-59.7	0	0	0	113.5	H22 E24 I129 A130 E131 D135	H22-H133 HydrophobicContact CB-CB 3.9Å; H22-H133 AromaticContact CD2-CE1 3.87Å; H22-H133 AromaticContact CD2-ND1 3.76Å; H22-H133 AromaticContact CE1-CE1 3.34Å; H22-H133 PolarHBondContact CE1-CE1 3.48Å; H22-H133 AromaticContact CE1-ND1 3.99Å; H22-H133 AromaticContact CE1-NE2 3.64Å; H22-H133 AromaticContact CG-CD2 3.81Å; H22-H133 AromaticContact CG-CE1 3.5Å; H22-H133 VanDerWaalsContact CG-CE1 3.5Å; H22-H133 AromaticContact CG-CG 3.64Å; H22-H133 AromaticContact CG-ND1 3.42Å; H22-H133 AromaticContact CG-NE2 3.73Å; H22-H133 AromaticContact ND1-CD2 3.54Å; H22-H133 AromaticContact ND1-CE1 3.13Å; H22-H133 PolarHBondContact ND1-CE1 2.92Å; H22-H133 AromaticContact ND1-CG 3.82Å; H22-H133 AromaticContact ND1-ND1 3.57Å; H22-H133 AromaticContact ND1-NE2 3.1Å; H22-H133 PolarHBondContact ND1-NE2 3.15Å; H22-H133 VanDerWaalsContact ND1-NE2 3.1Å; H22-H133 AromaticContact NE2-CE1 3.83Å; E24-H133 IonicContact OE2-CD2 3.56Å; E24-H133 IonicContact OE2-CE1 3.72Å; E24-H133 IonicContact OE2-NE2 3.61Å; E24-H133 PolarHBondContact OE2-NE2 2.67Å; I129-H133 PolarHBondContact O-CD2 3.24Å; I129-H133 PolarHBondContact O-N 2.85Å; A130-H133 CarbonylContact O-C 3.51Å; A130-H133 PolarHBondContact O-N 3.3Å; E131-H133 PolarHBondContact O-N 3.27Å; H133-D135 PolarHBondContact O-N 2.83Å
134	N	98.2	Very high	98.5	Very high	131 Å²	131	55.3 Å²	55.3	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.2	-176.8	-53.6	-77.1	0	0	0	113	N20 A130 E131 C136	N20-N134 PolarHBondContact ND2-O 2.93Å; A130-N134 PolarHBondContact O-N 2.87Å; A130-N134 VanDerWaalsContact O-N 3.13Å; E131-N134 PolarHBondContact O-N 3.37Å; N134-C136 PolarHBondContact O-N 3.22Å
135	D	98.6	Very high	98.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.011	29%	0.29	C	S	.	.			trans	-89.7	79.4	175.8	-168.7	-17.6	0	0	0	110.2	N20 R85 A130 H133 N137 M138 C139	N20-D135 VanDerWaalsContact O-OD2 3.05Å; R85-D135 IonicContact CZ-OD1 3.65Å; R85-D135 IonicContact CZ-OD2 3.29Å; R85-D135 IonicContact NH1-OD1 3.01Å; R85-D135 PolarHBondContact NH1-OD1 2.53Å; R85-D135 IonicContact NH1-OD2 2.9Å; R85-D135 PolarHBondContact NH1-OD2 3.07Å; R85-D135 IonicContact NH2-OD1 3.78Å; R85-D135 PolarHBondContact NH2-OD1 3.06Å; R85-D135 IonicContact NH2-OD2 2.62Å; R85-D135 PolarHBondContact NH2-OD2 3.43Å; A130-D135 HydrophobicContact CB-CB 4.44Å; A130-D135 PolarHBondContact O-N 3.44Å; H133-D135 PolarHBondContact O-N 2.83Å; D135-N137 PolarHBondContact O-N 3.33Å; D135-N137 PolarHBondContact OD1-N 2.9Å; D135-M138 HydrophobicContact CB-CB 4.11Å; D135-M138 VanDerWaalsContact CG-CB 3.48Å; D135-M138 PolarHBondContact O-N 3.37Å; D135-M138 VanDerWaalsContact O-N 3.15Å; D135-M138 PolarHBondContact OD1-N 2.88Å; D135-C139 PolarHBondContact O-N 2.93Å; D135-C139 PolarHBondContact O-SG 3.03Å; D135-C139 VanDerWaalsContact O-SG 3.42Å
136	C	98	Very high	98.5	Very high	87 Å²	87	51.3 Å²	51.3	59%	0.588	27%	0.27	S	S	*	.	H	α-helix	trans	-56.4	-37.7	-179.6	57.5	0	0	0	0	112.8	N134 M138 C139 D140	N134-C136 PolarHBondContact O-N 3.22Å; C136-M138 VanDerWaalsContact C-N 3.33Å; C136-M138 PolarHBondContact O-N 3.17Å; C136-C139 PolarHBondContact O-N 3.14Å; C136-D140 WeakPolarHBondContact O-CB 3.25Å; C136-D140 VanDerWaalsContact O-CG 3.27Å; C136-D140 PolarHBondContact O-N 2.62Å
137	N	98.3	Very high	98.5	Very high	77 Å²	77	52.4 Å²	52.4	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-37.9	-179.6	-179.8	-111.3	0	0	0	112	Y81 R85 D135 F141	Y81-N137 PolarHBondContact OH-O 2.93Å; Y81-N137 PolarHBondContact OH-OD1 2.77Å; R85-N137 PolarHBondContact NH1-OD1 3.4Å; D135-N137 PolarHBondContact O-N 3.33Å; D135-N137 PolarHBondContact OD1-N 2.9Å; N137-F141 VanDerWaalsContact O-CB 3.29Å; N137-F141 WeakPolarHBondContact O-CB 3.28Å; N137-F141 PolarHBondContact O-N 2.9Å
138	M	98.6	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.1	-37.1	174.9	-174.7	168.5	167.5	0	0	112.6	F21 L29 Y81 L126 A130 D135 C136 L142	F21-M138 HydrophobicContact CE2-SD 4.09Å; L29-M138 HydrophobicContact CD1-CE 3.87Å; L29-M138 HydrophobicContact CD1-SD 4.06Å; L29-M138 HydrophobicContact CD2-CE 4.23Å; L29-M138 HydrophobicContact CG-CE 3.69Å; Y81-M138 HydrophobicContact CE1-CB 4.31Å; Y81-M138 HydrophobicContact CE1-CG 4.08Å; Y81-M138 WeakPolarHBondContact OH-CA 3.42Å; Y81-M138 WeakPolarHBondContact OH-CB 3.36Å; Y81-M138 PolarHBondContact OH-N 2.92Å; L126-M138 HydrophobicContact CD1-CE 3.33Å; L126-M138 HydrophobicContact CD2-CE 3.96Å; L126-M138 HydrophobicContact CG-CE 3.48Å; L126-M138 VanDerWaalsContact CG-CE 3.48Å; A130-M138 HydrophobicContact CB-CB 3.85Å; A130-M138 HydrophobicContact CB-CE 4.47Å; A130-M138 HydrophobicContact CB-CG 3.74Å; A130-M138 HydrophobicContact CB-SD 4.07Å; D135-M138 HydrophobicContact CB-CB 4.11Å; D135-M138 VanDerWaalsContact CG-CB 3.48Å; D135-M138 PolarHBondContact O-N 3.37Å; D135-M138 VanDerWaalsContact O-N 3.15Å; D135-M138 PolarHBondContact OD1-N 2.88Å; C136-M138 VanDerWaalsContact C-N 3.33Å; C136-M138 PolarHBondContact O-N 3.17Å; M138-L142 HydrophobicContact CE-CD1 4.03Å; M138-L142 HydrophobicContact CG-CD1 3.95Å; M138-L142 HydrophobicContact CG-CG 4.36Å; M138-L142 WeakPolarHBondContact O-CB 3.42Å; M138-L142 WeakPolarHBondContact O-CD1 3.06Å; M138-L142 WeakPolarHBondContact O-CG 3.27Å; M138-L142 PolarHBondContact O-N 3.12Å
139	C	98.8	Very high	98.4	Very high	17 Å²	17	57.1 Å²	57.1	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-51.8	171.4	-65.2	0	0	0	0	111.1	D135 C136 F141 L142 A143	D135-C139 PolarHBondContact O-N 2.93Å; D135-C139 PolarHBondContact O-SG 3.03Å; D135-C139 VanDerWaalsContact O-SG 3.42Å; C136-C139 PolarHBondContact O-N 3.14Å; C139-F141 PolarHBondContact O-N 3.24Å; C139-L142 PolarHBondContact O-N 3.46Å; C139-A143 WeakPolarHBondContact O-CB 3.25Å; C139-A143 PolarHBondContact O-N 3.27Å
140	D	98.5	Very high	98.3	Very high	96 Å²	96	56 Å²	56	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-47	-179.8	-68.6	-13.1	0	0	0	111.3	C136 L142 A143 D144	C136-D140 WeakPolarHBondContact O-CB 3.25Å; C136-D140 VanDerWaalsContact O-CG 3.27Å; C136-D140 PolarHBondContact O-N 2.62Å; D140-L142 PolarHBondContact O-N 3Å; D140-A143 PolarHBondContact O-N 3.48Å; D140-D144 WeakPolarHBondContact O-CB 3.49Å; D140-D144 PolarHBondContact O-N 3.42Å
141	F	98.7	Very high	98.3	Very high	28 Å²	28	60.5 Å²	60.5	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-47.6	177	168.7	-106.3	0	0	0	112.4	K77 L78 Y81 N137 C139 E145 F146	K77-F141 HydrophobicContact CD-CE2 4.31Å; K77-F141 HydrophobicContact CG-CE2 4.21Å; K77-F141 HydrophobicContact CG-CZ 4.27Å; L78-F141 HydrophobicContact CD2-CE1 3.87Å; L78-F141 HydrophobicContact CD2-CZ 4.24Å; Y81-F141 VanDerWaalsContact CB-CZ 3.4Å; Y81-F141 AromaticContact CD1-CD1 3.64Å; Y81-F141 HydrophobicContact CD1-CD1 3.64Å; Y81-F141 AromaticContact CD1-CE1 3.55Å; Y81-F141 HydrophobicContact CD1-CE1 3.55Å; Y81-F141 HydrophobicContact CD1-CG 4.32Å; Y81-F141 HydrophobicContact CD1-CZ 4.17Å; Y81-F141 HydrophobicContact CD2-CB 4.31Å; Y81-F141 AromaticContact CD2-CD1 3.78Å; Y81-F141 HydrophobicContact CD2-CD1 3.78Å; Y81-F141 AromaticContact CD2-CD2 3.62Å; Y81-F141 HydrophobicContact CD2-CD2 3.62Å; Y81-F141 AromaticContact CD2-CE1 3.91Å; Y81-F141 HydrophobicContact CD2-CE1 3.91Å; Y81-F141 AromaticContact CD2-CE2 3.76Å; Y81-F141 HydrophobicContact CD2-CE2 3.76Å; Y81-F141 AromaticContact CD2-CG 3.62Å; Y81-F141 HydrophobicContact CD2-CG 3.62Å; Y81-F141 AromaticContact CD2-CZ 3.89Å; Y81-F141 HydrophobicContact CD2-CZ 3.89Å; Y81-F141 AromaticContact CE1-CD1 3.74Å; Y81-F141 HydrophobicContact CE1-CD1 3.74Å; Y81-F141 HydrophobicContact CE1-CE1 4.13Å; Y81-F141 HydrophobicContact CE1-CG 4.27Å; Y81-F141 HydrophobicContact CE2-CB 3.77Å; Y81-F141 AromaticContact CE2-CD1 3.89Å; Y81-F141 HydrophobicContact CE2-CD1 3.89Å; Y81-F141 AromaticContact CE2-CD2 3.95Å; Y81-F141 HydrophobicContact CE2-CD2 3.95Å; Y81-F141 HydrophobicContact CE2-CE1 4.47Å; Y81-F141 AromaticContact CE2-CG 3.58Å; Y81-F141 HydrophobicContact CE2-CG 3.58Å; Y81-F141 AromaticContact CG-CD1 3.66Å; Y81-F141 HydrophobicContact CG-CD1 3.66Å; Y81-F141 HydrophobicContact CG-CD2 4.14Å; Y81-F141 AromaticContact CG-CE1 3.42Å; Y81-F141 HydrophobicContact CG-CE1 3.42Å; Y81-F141 VanDerWaalsContact CG-CE1 3.42Å; Y81-F141 AromaticContact CG-CE2 3.93Å; Y81-F141 HydrophobicContact CG-CE2 3.93Å; Y81-F141 HydrophobicContact CG-CG 4.01Å; Y81-F141 AromaticContact CG-CZ 3.55Å; Y81-F141 HydrophobicContact CG-CZ 3.55Å; Y81-F141 AromaticContact CZ-CD1 3.86Å; Y81-F141 AromaticContact CZ-CG 3.92Å; N137-F141 VanDerWaalsContact O-CB 3.29Å; N137-F141 WeakPolarHBondContact O-CB 3.28Å; N137-F141 PolarHBondContact O-N 2.9Å; C139-F141 PolarHBondContact O-N 3.24Å; F141-E145 HydrophobicContact CD2-CB 4.37Å; F141-E145 HydrophobicContact CD2-CG 3.8Å; F141-E145 HydrophobicContact CE2-CB 4.25Å; F141-E145 HydrophobicContact CE2-CG 3.89Å; F141-E145 VanDerWaalsContact O-CB 3.24Å; F141-E145 WeakPolarHBondContact O-CB 3.42Å; F141-E145 WeakPolarHBondContact O-CG 3.48Å; F141-E145 PolarHBondContact O-N 3.21Å; F141-F146 HydrophobicContact CD1-CE2 4.39Å; F141-F146 AromaticContact CE1-CE2 3.65Å; F141-F146 HydrophobicContact CE1-CE2 3.65Å; F141-F146 HydrophobicContact CE1-CZ 4.39Å; F141-F146 HydrophobicContact CE2-CE2 4.06Å; F141-F146 AromaticContact CZ-CE2 3.47Å; F141-F146 HydrophobicContact CZ-CE2 3.47Å; F141-F146 VanDerWaalsContact CZ-CE2 3.47Å; F141-F146 HydrophobicContact CZ-CZ 4.01Å
142	L	98.8	Very high	98.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-39.3	179.8	-67.4	168.3	0	0	0	111.7	L123 L126 H127 M138 C139 D140 F146 L147	L123-L142 HydrophobicContact CD2-CD2 4.09Å; L126-L142 HydrophobicContact CB-CD1 4.32Å; L126-L142 HydrophobicContact CD2-CD1 4.25Å; L126-L142 HydrophobicContact CD2-CD2 3.77Å; L126-L142 HydrophobicContact CG-CD1 3.87Å; L126-L142 HydrophobicContact CG-CD2 4.31Å; H127-L142 HydrophobicContact CB-CD1 4.11Å; M138-L142 HydrophobicContact CE-CD1 4.03Å; M138-L142 HydrophobicContact CG-CD1 3.95Å; M138-L142 HydrophobicContact CG-CG 4.36Å; M138-L142 WeakPolarHBondContact O-CB 3.42Å; M138-L142 WeakPolarHBondContact O-CD1 3.06Å; M138-L142 WeakPolarHBondContact O-CG 3.27Å; M138-L142 PolarHBondContact O-N 3.12Å; C139-L142 PolarHBondContact O-N 3.46Å; D140-L142 PolarHBondContact O-N 3Å; L142-F146 HydrophobicContact CD2-CD2 4.46Å; L142-F146 PolarHBondContact O-N 2.72Å; L142-L147 PolarHBondContact O-N 3.32Å
143	A	98.3	Very high	98.3	Very high	27 Å²	27	54.8 Å²	54.8	22%	0.223	29%	0.292	C	S	.	.	I	π-helix	trans	-67.4	-44.4	179.9	0	0	0	0	0	112.7	C139 D140 L147	C139-A143 WeakPolarHBondContact O-CB 3.25Å; C139-A143 PolarHBondContact O-N 3.27Å; D140-A143 PolarHBondContact O-N 3.48Å; A143-L147 HydrophobicContact CB-CD1 4.5Å
144	D	97.5	Very high	98.3	Very high	98 Å²	98	54.1 Å²	54.1	52%	0.524	29%	0.29	S	S	.	.	I	π-helix	trans	-78.4	-39.8	-175.7	-76.2	-23.2	0	0	0	113.1	D140 K148	D140-D144 WeakPolarHBondContact O-CB 3.49Å; D140-D144 PolarHBondContact O-N 3.42Å; D144-K148 IonicContact OD1-NZ 2.7Å; D144-K148 PolarHBondContact OD1-NZ 2.95Å
145	E	98	Very high	98.3	Very high	83 Å²	83	52.1 Å²	52.1	39%	0.388	28%	0.279	S	S	.	.	I	π-helix	trans	-95.9	-12.4	-170.3	-63.3	-73	171.1	0	0	114.3	K77 F141	K77-E145 HydrophobicContact CD-CB 3.75Å; K77-E145 HydrophobicContact CD-CG 4.03Å; K77-E145 WeakPolarHBondContact CD-OE2 3.38Å; K77-E145 VanDerWaalsContact CE-OE2 3.25Å; K77-E145 WeakPolarHBondContact CE-OE2 3.48Å; K77-E145 PolarHBondContact NZ-O 3.44Å; K77-E145 IonicContact NZ-OE2 2.68Å; K77-E145 PolarHBondContact NZ-OE2 3.08Å; F141-E145 HydrophobicContact CD2-CB 4.37Å; F141-E145 HydrophobicContact CD2-CG 3.8Å; F141-E145 HydrophobicContact CE2-CB 4.25Å; F141-E145 HydrophobicContact CE2-CG 3.89Å; F141-E145 VanDerWaalsContact O-CB 3.24Å; F141-E145 WeakPolarHBondContact O-CB 3.42Å; F141-E145 WeakPolarHBondContact O-CG 3.48Å; F141-E145 PolarHBondContact O-N 3.21Å
146	F	98.6	Very high	98.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-140.4	-54.2	-173.6	-56.4	-94.5	0	0	0	114.2	H74 K77 L78 L123 F141 L142 K148 E149 Q150	H74-F146 HydrophobicContact CB-CE1 3.95Å; K77-F146 HydrophobicContact CB-CZ 4.09Å; K77-F146 HydrophobicContact CD-CE2 4.01Å; K77-F146 HydrophobicContact CD-CZ 3.74Å; K77-F146 HydrophobicContact CG-CZ 4.15Å; L78-F146 HydrophobicContact CD1-CE1 4.45Å; L78-F146 HydrophobicContact CD2-CE1 4Å; L78-F146 HydrophobicContact CD2-CE2 3.76Å; L78-F146 HydrophobicContact CD2-CZ 3.39Å; L78-F146 HydrophobicContact CG-CE1 3.99Å; L78-F146 HydrophobicContact CG-CZ 3.65Å; L123-F146 HydrophobicContact CD1-CB 3.77Å; L123-F146 HydrophobicContact CD1-CG 4.49Å; L123-F146 HydrophobicContact CD2-CB 3.95Å; L123-F146 HydrophobicContact CD2-CD1 4.28Å; L123-F146 HydrophobicContact CD2-CG 4.06Å; L123-F146 HydrophobicContact CG-CB 4.48Å; F141-F146 HydrophobicContact CD1-CE2 4.39Å; F141-F146 AromaticContact CE1-CE2 3.65Å; F141-F146 HydrophobicContact CE1-CE2 3.65Å; F141-F146 HydrophobicContact CE1-CZ 4.39Å; F141-F146 HydrophobicContact CE2-CE2 4.06Å; F141-F146 AromaticContact CZ-CE2 3.47Å; F141-F146 HydrophobicContact CZ-CE2 3.47Å; F141-F146 VanDerWaalsContact CZ-CE2 3.47Å; F141-F146 HydrophobicContact CZ-CZ 4.01Å; L142-F146 HydrophobicContact CD2-CD2 4.46Å; L142-F146 PolarHBondContact O-N 2.72Å; F146-K148 VanDerWaalsContact C-N 3.32Å; F146-K148 PolarHBondContact O-N 2.99Å; F146-E149 WeakPolarHBondContact O-CB 3.25Å; F146-E149 PolarHBondContact O-N 3.18Å; F146-Q150 PolarHBondContact O-N 2.63Å
147	L	98.6	Very high	98.3	Very high	28 Å²	28	54 Å²	54	15%	0.147	27%	0.274	C	S	.	.	I	π-helix	trans	-62.7	-36.8	-168.2	-69.2	176.1	0	0	0	113.3	L123 L124 H127 L142 A143 V151	L123-L147 HydrophobicContact CB-CD2 3.72Å; L124-L147 HydrophobicContact CD2-CD1 4.44Å; L124-L147 HydrophobicContact CD2-CD2 3.86Å; L124-L147 HydrophobicContact CG-CD2 4.22Å; H127-L147 HydrophobicContact CB-CD1 4.48Å; L142-L147 PolarHBondContact O-N 3.32Å; A143-L147 HydrophobicContact CB-CD1 4.5Å; L147-V151 WeakPolarHBondContact O-CG2 3.08Å; L147-V151 PolarHBondContact O-N 2.93Å
148	K	97.6	Very high	98.3	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-46.4	174.2	-67.8	168.4	-172.4	163.8	0	111.1	D144 F146 V151 E152	D144-K148 IonicContact OD1-NZ 2.7Å; D144-K148 PolarHBondContact OD1-NZ 2.95Å; F146-K148 VanDerWaalsContact C-N 3.32Å; F146-K148 PolarHBondContact O-N 2.99Å; K148-V151 PolarHBondContact O-N 3.37Å; K148-E152 PolarHBondContact O-N 3.45Å
149	E	97.7	Very high	98.3	Very high	73 Å²	73	57.4 Å²	57.4	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-43.4	179.7	-176.3	165.9	-173.5	0	0	111.8	H74 F146 V151 E152 A153	H74-E149 IonicContact CE1-OE1 3.68Å; H74-E149 IonicContact NE2-OE1 3.37Å; H74-E149 PolarHBondContact NE2-OE1 3.48Å; H74-E149 IonicContact NE2-OE2 3.56Å; F146-E149 WeakPolarHBondContact O-CB 3.25Å; F146-E149 PolarHBondContact O-N 3.18Å; E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 3.44Å; E149-E152 PolarHBondContact O-N 2.93Å; E149-E152 VanDerWaalsContact O-N 3.1Å; E149-A153 WeakPolarHBondContact O-CB 3.4Å; E149-A153 PolarHBondContact O-N 3.36Å
150	Q	98.1	Very high	98.3	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-40.9	176.5	-72	-49.3	97.5	0	0	112.5	E116 N120 L123 F146 E152 A153 I154	E116-Q150 PolarHBondContact O-NE2 2.92Å; E116-Q150 PolarHBondContact OE2-NE2 3.48Å; N120-Q150 HydrophobicContact CB-CB 3.96Å; N120-Q150 HydrophobicContact CB-CG 4.08Å; N120-Q150 WeakPolarHBondContact OD1-CB 3.3Å; L123-Q150 HydrophobicContact CD1-CG 3.53Å; F146-Q150 PolarHBondContact O-N 2.63Å; Q150-E152 VanDerWaalsContact C-N 3.33Å; Q150-E152 PolarHBondContact O-N 3.38Å; Q150-A153 PolarHBondContact O-N 3.09Å; Q150-I154 VanDerWaalsContact O-CB 3.32Å; Q150-I154 WeakPolarHBondContact O-CB 3.33Å; Q150-I154 WeakPolarHBondContact O-CD1 3.5Å; Q150-I154 WeakPolarHBondContact O-CG1 3.34Å; Q150-I154 PolarHBondContact O-N 2.94Å
151	V	98.4	Very high	98.3	Very high	93 Å²	93	53.9 Å²	53.9	56%	0.564	27%	0.273	S	S	*	.	H	α-helix	trans	-64.2	-41.1	178	173.5	0	0	0	0	110.8	L147 K148 E149 N155	L147-V151 WeakPolarHBondContact O-CG2 3.08Å; L147-V151 PolarHBondContact O-N 2.93Å; K148-V151 PolarHBondContact O-N 3.37Å; E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 3.44Å; V151-N155 WeakPolarHBondContact O-CB 3.37Å; V151-N155 PolarHBondContact O-N 2.92Å; V151-N155 VanDerWaalsContact O-N 3.1Å
152	E	98.1	Very high	98.3	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.584	29%	0.286	S	S	*	.	H	α-helix	trans	-66.6	-44.2	176.8	-67.1	-177.9	-173.7	0	0	112.2	K148 E149 Q150 N155 R156	K148-E152 PolarHBondContact O-N 3.45Å; E149-E152 PolarHBondContact O-N 2.93Å; E149-E152 VanDerWaalsContact O-N 3.1Å; Q150-E152 VanDerWaalsContact C-N 3.33Å; Q150-E152 PolarHBondContact O-N 3.38Å; E152-N155 PolarHBondContact O-N 3.1Å; E152-R156 WeakPolarHBondContact O-CB 3.33Å; E152-R156 PolarHBondContact O-N 3Å
153	A	97.9	Very high	98.2	Very high	21 Å²	21	58.8 Å²	58.8	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-47.9	177.9	0	0	0	0	0	111.7	E149 Q150 N155 R156 L157	E149-A153 WeakPolarHBondContact O-CB 3.4Å; E149-A153 PolarHBondContact O-N 3.36Å; Q150-A153 PolarHBondContact O-N 3.09Å; A153-N155 VanDerWaalsContact C-N 3.31Å; A153-N155 PolarHBondContact O-N 2.81Å; A153-R156 PolarHBondContact O-N 2.88Å; A153-L157 PolarHBondContact O-N 3.02Å
154	I	98.7	Very high	98.2	Very high	28 Å²	28	57.8 Å²	57.8	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-43.7	176.7	-70.8	166.5	0	0	0	110.7	L113 E116 K117 N120 Q150 S158	L113-I154 HydrophobicContact CD1-CB 4.49Å; L113-I154 HydrophobicContact CD1-CG2 3.89Å; L113-I154 WeakPolarHBondContact CD1-O 3.47Å; E116-I154 HydrophobicContact CB-CG1 3.73Å; K117-I154 HydrophobicContact CG-CD1 4.07Å; K117-I154 HydrophobicContact CG-CG1 4.3Å; K117-I154 HydrophobicContact CG-CG2 4.31Å; N120-I154 HydrophobicContact CB-CD1 3.93Å; Q150-I154 VanDerWaalsContact O-CB 3.32Å; Q150-I154 WeakPolarHBondContact O-CB 3.33Å; Q150-I154 WeakPolarHBondContact O-CD1 3.5Å; Q150-I154 WeakPolarHBondContact O-CG1 3.34Å; Q150-I154 PolarHBondContact O-N 2.94Å; I154-S158 WeakPolarHBondContact O-CB 3.4Å; I154-S158 PolarHBondContact O-N 2.91Å
155	N	98.6	Very high	98.2	Very high	89 Å²	89	56.1 Å²	56.1	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-45.3	177.4	-179.8	53.8	0	0	0	111.7	V151 E152 A153 S158 Q159	V151-N155 WeakPolarHBondContact O-CB 3.37Å; V151-N155 PolarHBondContact O-N 2.92Å; V151-N155 VanDerWaalsContact O-N 3.1Å; E152-N155 PolarHBondContact O-N 3.1Å; A153-N155 VanDerWaalsContact C-N 3.31Å; A153-N155 PolarHBondContact O-N 2.81Å; N155-S158 WeakPolarHBondContact O-CB 3.46Å; N155-S158 PolarHBondContact O-N 3.39Å; N155-Q159 WeakPolarHBondContact O-CG 3.41Å; N155-Q159 PolarHBondContact O-N 3.32Å
156	R	98.3	Very high	98.2	Very high	121 Å²	121	62.1 Å²	62.1	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-48	178.6	-171.1	-176.5	-58.3	178.3	5.1	111.8	E152 A153 S158 Q159 H160	E152-R156 WeakPolarHBondContact O-CB 3.33Å; E152-R156 PolarHBondContact O-N 3Å; A153-R156 PolarHBondContact O-N 2.88Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.22Å; R156-Q159 WeakPolarHBondContact O-CB 3.39Å; R156-Q159 PolarHBondContact O-N 2.99Å; R156-H160 PolarHBondContact O-N 3.3Å
157	L	98.5	Very high	98.1	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-39.3	176.3	-72.7	171.6	0	0	0	111.8	F63 M109 A112 L113 E116 A153 Q159 H160 V161	F63-L157 HydrophobicContact CE1-CD2 4.28Å; F63-L157 HydrophobicContact CZ-CD2 4.06Å; M109-L157 HydrophobicContact SD-CD2 3.74Å; A112-L157 HydrophobicContact CB-CD1 4.15Å; A112-L157 HydrophobicContact CB-CD2 4.09Å; L113-L157 HydrophobicContact CB-CB 4.18Å; L113-L157 HydrophobicContact CD1-CB 3.99Å; E116-L157 HydrophobicContact CB-CD1 4.23Å; E116-L157 HydrophobicContact CG-CD1 3.37Å; A153-L157 PolarHBondContact O-N 3.02Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 3.39Å; L157-H160 WeakPolarHBondContact O-CB 3.35Å; L157-H160 PolarHBondContact O-N 3.42Å; L157-V161 WeakPolarHBondContact O-CG2 3.34Å; L157-V161 PolarHBondContact O-N 3.28Å
158	S	98.7	Very high	97.9	Very high	50 Å²	50	66 Å²	66	35%	0.35	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-37.3	175	-172.7	0	0	0	0	112.6	I154 N155 R156 T162	I154-S158 WeakPolarHBondContact O-CB 3.4Å; I154-S158 PolarHBondContact O-N 2.91Å; N155-S158 WeakPolarHBondContact O-CB 3.46Å; N155-S158 PolarHBondContact O-N 3.39Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.22Å; S158-T162 WeakPolarHBondContact O-CB 3.44Å; S158-T162 PolarHBondContact O-N 3.3Å; S158-T162 PolarHBondContact O-OG1 3.16Å
159	Q	98.5	Very high	97.7	Very high	100 Å²	100	66.2 Å²	66.2	47%	0.467	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-42.8	173.5	-69.5	173.2	-12.2	0	0	111.4	N155 R156 L157 T162 N163	N155-Q159 WeakPolarHBondContact O-CG 3.41Å; N155-Q159 PolarHBondContact O-N 3.32Å; R156-Q159 WeakPolarHBondContact O-CB 3.39Å; R156-Q159 PolarHBondContact O-N 2.99Å; L157-Q159 VanDerWaalsContact C-N 3.31Å; L157-Q159 PolarHBondContact O-N 3.39Å; Q159-T162 PolarHBondContact O-N 3.03Å; Q159-N163 WeakPolarHBondContact O-CB 3.5Å; Q159-N163 PolarHBondContact O-N 3.45Å
160	H	98.2	Very high	97.6	Very high	21 Å²	21	65.1 Å²	65.1	10%	0.097	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-48.1	175.3	-65.9	-20.6	0	0	0	112.3	M109 R156 L157 T162 N163 L164 F176	M109-H160 HydrophobicContact CG-CB 4.48Å; M109-H160 HydrophobicContact SD-CB 4.05Å; R156-H160 PolarHBondContact O-N 3.3Å; L157-H160 WeakPolarHBondContact O-CB 3.35Å; L157-H160 PolarHBondContact O-N 3.42Å; H160-T162 VanDerWaalsContact C-N 3.27Å; H160-T162 PolarHBondContact O-N 2.64Å; H160-N163 PolarHBondContact O-N 2.94Å; H160-L164 WeakPolarHBondContact O-CB 3.39Å; H160-L164 PolarHBondContact O-N 3.47Å; H160-F176 HydrophobicContact CB-CZ 3.75Å; H160-F176 AromaticContact CG-CZ 3.72Å; H160-F176 AromaticContact ND1-CZ 3.56Å
161	V	98.6	Very high	97.5	Very high	18 Å²	18	70.9 Å²	70.9	11%	0.109	39%	0.385	C	S	.	.	H	α-helix	trans	-56.5	-43.6	175.1	170	0	0	0	0	111.1	L106 M109 K110 L113 L157 S165	L106-V161 HydrophobicContact CD1-CG1 4.03Å; L106-V161 WeakPolarHBondContact CD1-O 3.5Å; M109-V161 HydrophobicContact CB-CG2 3.76Å; K110-V161 HydrophobicContact CG-CG1 3.83Å; K110-V161 HydrophobicContact CG-CG2 3.98Å; L113-V161 HydrophobicContact CD2-CG2 4.32Å; L157-V161 WeakPolarHBondContact O-CG2 3.34Å; L157-V161 PolarHBondContact O-N 3.28Å; V161-S165 WeakPolarHBondContact O-CB 3.45Å; V161-S165 PolarHBondContact O-N 2.93Å; V161-S165 PolarHBondContact O-OG 3.4Å
162	T	98.5	Very high	97.4	Very high	63 Å²	63	66.8 Å²	66.8	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-46.8	179	-60.3	0	0	0	0	111.7	S158 Q159 H160 S165 R166	S158-T162 WeakPolarHBondContact O-CB 3.44Å; S158-T162 PolarHBondContact O-N 3.3Å; S158-T162 PolarHBondContact O-OG1 3.16Å; Q159-T162 PolarHBondContact O-N 3.03Å; H160-T162 VanDerWaalsContact C-N 3.27Å; H160-T162 PolarHBondContact O-N 2.64Å; T162-S165 PolarHBondContact O-N 3.18Å; T162-R166 WeakPolarHBondContact O-CG 3.46Å; T162-R166 PolarHBondContact O-N 3.2Å; T162-R166 VanDerWaalsContact O-N 3.11Å
163	N	97.8	Very high	97.3	Very high	68 Å²	68	62.1 Å²	62.1	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-45.9	-179.7	-74.8	-17.1	0	0	0	111.7	Q159 H160 S165 R166 L167 F176	Q159-N163 WeakPolarHBondContact O-CB 3.5Å; Q159-N163 PolarHBondContact O-N 3.45Å; H160-N163 PolarHBondContact O-N 2.94Å; N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 3.43Å; N163-R166 PolarHBondContact O-N 3.19Å; N163-R166 VanDerWaalsContact O-N 3.13Å; N163-L167 WeakPolarHBondContact O-CB 3.43Å; N163-L167 WeakPolarHBondContact O-CG 3.44Å; N163-L167 PolarHBondContact O-N 3.2Å; N163-F176 HydrophobicContact CB-CD2 4.28Å; N163-F176 HydrophobicContact CB-CE2 3.86Å
164	L	97.8	Very high	97.3	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-41.4	176.1	-78.3	163.9	0	0	0	112.1	F60 L106 M109 H160 R166 L167 G168 F176	F60-L164 HydrophobicContact CE1-CD1 4.17Å; F60-L164 HydrophobicContact CZ-CD1 3.91Å; F60-L164 HydrophobicContact CZ-CD2 4.03Å; L106-L164 HydrophobicContact CB-CB 4.23Å; L106-L164 HydrophobicContact CD1-CB 3.84Å; M109-L164 HydrophobicContact CB-CD1 4.27Å; M109-L164 HydrophobicContact CG-CD1 3.77Å; H160-L164 WeakPolarHBondContact O-CB 3.39Å; H160-L164 PolarHBondContact O-N 3.47Å; L164-R166 PolarHBondContact O-N 2.93Å; L164-L167 PolarHBondContact O-N 3.02Å; L164-G168 PolarHBondContact O-N 2.96Å; L164-F176 HydrophobicContact CD1-CD1 4.11Å; L164-F176 HydrophobicContact CD1-CE1 3.96Å; L164-F176 HydrophobicContact CD1-CZ 4.27Å; L164-F176 HydrophobicContact CD2-CB 3.65Å; L164-F176 HydrophobicContact CD2-CD1 3.75Å; L164-F176 HydrophobicContact CD2-CD2 4.08Å; L164-F176 HydrophobicContact CD2-CE1 4.4Å; L164-F176 HydrophobicContact CD2-CG 3.54Å; L164-F176 HydrophobicContact CG-CB 4.47Å; L164-F176 HydrophobicContact CG-CD1 3.95Å; L164-F176 HydrophobicContact CG-CD2 3.98Å; L164-F176 HydrophobicContact CG-CE1 4.11Å; L164-F176 HydrophobicContact CG-CE2 4.16Å; L164-F176 HydrophobicContact CG-CG 3.86Å; L164-F176 HydrophobicContact CG-CZ 4.21Å
165	S	97.7	Very high	97.2	Very high	63 Å²	63	67.7 Å²	67.7	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.1	-59.3	0	0	0	0	112.4	L106 V161 T162 N163	L106-S165 WeakPolarHBondContact CD1-OG 3.38Å; V161-S165 WeakPolarHBondContact O-CB 3.45Å; V161-S165 PolarHBondContact O-N 2.93Å; V161-S165 PolarHBondContact O-OG 3.4Å; T162-S165 PolarHBondContact O-N 3.18Å; N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 3.43Å
166	R	97.7	Very high	97.1	Very high	209 Å²	209	63.5 Å²	63.5	79%	0.789	34%	0.337	S	S	*	.	H	α-helix	trans	-78.1	-37.2	178.3	-76.4	176.4	155.7	-175.3	-6.1	113.4	T162 N163 L164 G168	T162-R166 WeakPolarHBondContact O-CG 3.46Å; T162-R166 PolarHBondContact O-N 3.2Å; T162-R166 VanDerWaalsContact O-N 3.11Å; N163-R166 PolarHBondContact O-N 3.19Å; N163-R166 VanDerWaalsContact O-N 3.13Å; L164-R166 PolarHBondContact O-N 2.93Å; R166-G168 VanDerWaalsContact C-N 3.33Å
167	L	96.7	Very high	97.1	Very high	85 Å²	85	57.7 Å²	57.7	45%	0.445	32%	0.315	S	S	.	.	H	α-helix	trans	-71.8	-29.8	179.4	-73.2	168.8	0	0	0	112.2	N163 L164 F176	N163-L167 WeakPolarHBondContact O-CB 3.43Å; N163-L167 WeakPolarHBondContact O-CG 3.44Å; N163-L167 PolarHBondContact O-N 3.2Å; L164-L167 PolarHBondContact O-N 3.02Å; L167-F176 HydrophobicContact CD1-CB 3.99Å; L167-F176 HydrophobicContact CD1-CD2 3.96Å; L167-F176 HydrophobicContact CD1-CG 4.47Å
168	G	93.5	Very high	97	Very high	25 Å²	25	61.2 Å²	61.2	26%	0.258	33%	0.33	S	S	.	.			trans	78.1	173.9	-178.3	0	0	0	0	0	113.5	L164 R166 G172 E173	L164-G168 PolarHBondContact O-N 2.96Å; R166-G168 VanDerWaalsContact C-N 3.33Å; G168-G172 WeakPolarHBondContact O-CA 3.33Å; G168-E173 PolarHBondContact O-N 3.24Å
169	P	94.2	Very high	96.8	Very high	123 Å²	123	65.9 Å²	65.9	80%	0.799	35%	0.348	S	S	*	.	S	Bend	trans	-72.6	165.3	-174.9	31	-35.9	0	0	0	112.8	M171	P169-M171 PolarHBondContact O-N 2.73Å
170	G	94.2	Very high	96.7	Very high	50 Å²	50	64 Å²	64	52%	0.515	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-108.8	175.3	0	0	0	0	0	112.1	G172 E173 Y174	G170-G172 PolarHBondContact O-N 2.89Å; G170-E173 PolarHBondContact O-N 3.34Å; G170-Y174 PolarHBondContact O-N 2.81Å
171	M	95.9	Very high	96.5	Very high	123 Å²	123	63.6 Å²	63.6	61%	0.606	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-34.6	-177.4	-168.8	65.7	-175.4	0	0	112.3	P169 Y174 L175	P169-M171 PolarHBondContact O-N 2.73Å; M171-Y174 HydrophobicContact CE-CD1 4.21Å; M171-Y174 PolarHBondContact O-N 3.03Å; M171-Y174 HydrophobicContact SD-CD1 4.11Å; M171-L175 HydrophobicContact CE-CD1 4.33Å; M171-L175 HydrophobicContact CE-CD2 3.93Å; M171-L175 HydrophobicContact CE-CG 4.01Å; M171-L175 HydrophobicContact CG-CD1 4.14Å; M171-L175 HydrophobicContact CG-CG 4.31Å; M171-L175 WeakPolarHBondContact O-CB 3.46Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.37Å; M171-L175 PolarHBondContact O-N 2.83Å
172	G	96.9	Very high	95.6	Very high	7 Å²	7	64.4 Å²	64.4	7%	0.072	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-44.3	178.8	0	0	0	0	0	112.7	G168 G170 L175 F176	G168-G172 WeakPolarHBondContact O-CA 3.33Å; G170-G172 PolarHBondContact O-N 2.89Å; G172-L175 PolarHBondContact O-N 3.44Å; G172-F176 WeakPolarHBondContact O-CB 3.36Å; G172-F176 PolarHBondContact O-N 2.9Å
173	E	96.4	Very high	93.8	Very high	28 Å²	28	64.1 Å²	64.1	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-43.5	175.2	-176.1	176.6	-165.9	0	0	112.3	L57 F60 G105 G168 G170 L175 F176 D177	L57-E173 HydrophobicContact CD1-CG 3.78Å; L57-E173 VanDerWaalsContact CD1-OE1 3.25Å; L57-E173 WeakPolarHBondContact CD1-OE1 3.46Å; F60-E173 HydrophobicContact CE2-CG 4.16Å; F60-E173 HydrophobicContact CZ-CG 4.48Å; G105-E173 VanDerWaalsContact CA-OE1 3.3Å; G105-E173 WeakPolarHBondContact CA-OE1 3.38Å; G105-E173 PolarHBondContact N-OE1 3.39Å; G168-E173 PolarHBondContact O-N 3.24Å; G170-E173 PolarHBondContact O-N 3.34Å; E173-L175 PolarHBondContact O-N 3.2Å; E173-F176 WeakPolarHBondContact O-CB 3.46Å; E173-F176 PolarHBondContact O-N 3.41Å; E173-D177 PolarHBondContact O-N 2.98Å
174	Y	97	Very high	91.6	Very high	110 Å²	110	66.6 Å²	66.6	43%	0.431	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-42.8	174.7	177.9	-97.8	0	0	0	112.3	G170 M171 F176 D177 K178	G170-Y174 PolarHBondContact O-N 2.81Å; M171-Y174 HydrophobicContact CE-CD1 4.21Å; M171-Y174 PolarHBondContact O-N 3.03Å; M171-Y174 HydrophobicContact SD-CD1 4.11Å; Y174-F176 VanDerWaalsContact C-N 3.33Å; Y174-D177 WeakPolarHBondContact O-CB 3.42Å; Y174-D177 PolarHBondContact O-N 3.23Å; Y174-K178 HydrophobicContact CE1-CG 4.12Å; Y174-K178 HydrophobicContact CE2-CG 4.37Å; Y174-K178 WeakPolarHBondContact O-CG 3.33Å; Y174-K178 PolarHBondContact O-N 3.25Å; Y174-K178 VanDerWaalsContact O-N 3.16Å
175	L	96.9	Very high	88.8	Confident	55 Å²	55	69.5 Å²	69.5	29%	0.288	39%	0.392	S	S	.	.	H	α-helix	trans	-65.3	-38.6	175.8	-73.7	173.4	0	0	0	111.7	M171 G172 E173 K178 M179	M171-L175 HydrophobicContact CE-CD1 4.33Å; M171-L175 HydrophobicContact CE-CD2 3.93Å; M171-L175 HydrophobicContact CE-CG 4.01Å; M171-L175 HydrophobicContact CG-CD1 4.14Å; M171-L175 HydrophobicContact CG-CG 4.31Å; M171-L175 WeakPolarHBondContact O-CB 3.46Å; M171-L175 VanDerWaalsContact O-CG 3.27Å; M171-L175 WeakPolarHBondContact O-CG 3.37Å; M171-L175 PolarHBondContact O-N 2.83Å; G172-L175 PolarHBondContact O-N 3.44Å; E173-L175 PolarHBondContact O-N 3.2Å; L175-K178 PolarHBondContact O-N 3.26Å; L175-M179 HydrophobicContact CD2-CE 3.89Å; L175-M179 HydrophobicContact CD2-SD 4.48Å; L175-M179 VanDerWaalsContact O-CB 3.3Å; L175-M179 WeakPolarHBondContact O-CB 3.5Å; L175-M179 WeakPolarHBondContact O-CG 3.39Å; L175-M179 PolarHBondContact O-N 3.28Å
176	F	97.5	Very high	85.7	Confident	1 Å²	1	75.2 Å²	75.2	0%	0.004	43%	0.432	C	S	.	.	H	α-helix	trans	-63.1	-44.5	176.4	-171	-90.6	0	0	0	111.9	F60 M109 H160 N163 L164 L167 G172 E173 Y174 K178 T180 L181	F60-F176 HydrophobicContact CE1-CD1 4.38Å; F60-F176 HydrophobicContact CE1-CE1 4.4Å; F60-F176 AromaticContact CE2-CD1 3.86Å; F60-F176 HydrophobicContact CE2-CD1 3.86Å; F60-F176 AromaticContact CZ-CD1 3.53Å; F60-F176 HydrophobicContact CZ-CD1 3.53Å; F60-F176 AromaticContact CZ-CE1 3.97Å; F60-F176 HydrophobicContact CZ-CE1 3.97Å; M109-F176 HydrophobicContact CE-CE1 4.48Å; H160-F176 HydrophobicContact CB-CZ 3.75Å; H160-F176 AromaticContact CG-CZ 3.72Å; H160-F176 AromaticContact ND1-CZ 3.56Å; N163-F176 HydrophobicContact CB-CD2 4.28Å; N163-F176 HydrophobicContact CB-CE2 3.86Å; L164-F176 HydrophobicContact CD1-CD1 4.11Å; L164-F176 HydrophobicContact CD1-CE1 3.96Å; L164-F176 HydrophobicContact CD1-CZ 4.27Å; L164-F176 HydrophobicContact CD2-CB 3.65Å; L164-F176 HydrophobicContact CD2-CD1 3.75Å; L164-F176 HydrophobicContact CD2-CD2 4.08Å; L164-F176 HydrophobicContact CD2-CE1 4.4Å; L164-F176 HydrophobicContact CD2-CG 3.54Å; L164-F176 HydrophobicContact CG-CB 4.47Å; L164-F176 HydrophobicContact CG-CD1 3.95Å; L164-F176 HydrophobicContact CG-CD2 3.98Å; L164-F176 HydrophobicContact CG-CE1 4.11Å; L164-F176 HydrophobicContact CG-CE2 4.16Å; L164-F176 HydrophobicContact CG-CG 3.86Å; L164-F176 HydrophobicContact CG-CZ 4.21Å; L167-F176 HydrophobicContact CD1-CB 3.99Å; L167-F176 HydrophobicContact CD1-CD2 3.96Å; L167-F176 HydrophobicContact CD1-CG 4.47Å; G172-F176 WeakPolarHBondContact O-CB 3.36Å; G172-F176 PolarHBondContact O-N 2.9Å; E173-F176 WeakPolarHBondContact O-CB 3.46Å; E173-F176 PolarHBondContact O-N 3.41Å; Y174-F176 VanDerWaalsContact C-N 3.33Å; F176-K178 VanDerWaalsContact C-N 3.32Å; F176-K178 PolarHBondContact O-N 3.44Å; F176-T180 HydrophobicContact CD2-CG2 4.42Å; F176-T180 HydrophobicContact CE1-CG2 4.25Å; F176-T180 HydrophobicContact CE2-CG2 3.77Å; F176-T180 HydrophobicContact CZ-CG2 3.67Å; F176-T180 WeakPolarHBondContact O-CA 3.41Å; F176-T180 WeakPolarHBondContact O-CB 3.3Å; F176-T180 PolarHBondContact O-N 3.05Å; F176-L181 HydrophobicContact CD1-CD1 4.06Å; F176-L181 HydrophobicContact CD1-CG 3.99Å; F176-L181 HydrophobicContact CE1-CD1 3.86Å; F176-L181 HydrophobicContact CE1-CD2 3.83Å; F176-L181 HydrophobicContact CE1-CG 3.69Å; F176-L181 HydrophobicContact CZ-CD2 4.45Å; F176-L181 PolarHBondContact O-N 3.35Å
177	D	97.7	Very high	85.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	41%	0.414	C	S	.	.	I	π-helix	trans	-51.3	-51.7	172.5	-179.5	78.5	0	0	0	110.9	L57 G59 F60 E173 Y174 L181 S182	L57-D177 VanDerWaalsContact C-OD1 3.23Å; L57-D177 HydrophobicContact CD2-CB 4.02Å; G59-D177 WeakPolarHBondContact CA-OD1 3.27Å; G59-D177 PolarHBondContact N-OD1 2.87Å; F60-D177 HydrophobicContact CD2-CB 3.99Å; F60-D177 HydrophobicContact CE2-CB 4.14Å; F60-D177 PolarHBondContact N-OD1 2.99Å; E173-D177 PolarHBondContact O-N 2.98Å; Y174-D177 WeakPolarHBondContact O-CB 3.42Å; Y174-D177 PolarHBondContact O-N 3.23Å; D177-L181 PolarHBondContact O-N 3.32Å; D177-S182 WeakPolarHBondContact O-CB 3.49Å; D177-S182 PolarHBondContact O-N 3.13Å; D177-S182 PolarHBondContact O-OG 3.43Å
178	K	95.8	Very high	84.5	Confident	80 Å²	80	67.6 Å²	67.6	35%	0.348	41%	0.412	S	S	.	.	I	π-helix	trans	-73.9	-40.2	-176.1	-62.8	-54.1	174.8	-139	0	114.8	Y174 L175 F176 S182	Y174-K178 HydrophobicContact CE1-CG 4.12Å; Y174-K178 HydrophobicContact CE2-CG 4.37Å; Y174-K178 WeakPolarHBondContact O-CG 3.33Å; Y174-K178 PolarHBondContact O-N 3.25Å; Y174-K178 VanDerWaalsContact O-N 3.16Å; L175-K178 PolarHBondContact O-N 3.26Å; F176-K178 VanDerWaalsContact C-N 3.32Å; F176-K178 PolarHBondContact O-N 3.44Å; K178-S182 WeakPolarHBondContact CA-OG 3.41Å; K178-S182 WeakPolarHBondContact O-CB 3.4Å
179	M	95.2	Very high	84	Confident	148 Å²	148	70 Å²	70	73%	0.729	42%	0.421	S	S	*	.	I	π-helix	trans	-96.6	-27.9	-169.5	-63.6	-172.9	173.7	0	0	113.4	L175	L175-M179 HydrophobicContact CD2-CE 3.89Å; L175-M179 HydrophobicContact CD2-SD 4.48Å; L175-M179 VanDerWaalsContact O-CB 3.3Å; L175-M179 WeakPolarHBondContact O-CB 3.5Å; L175-M179 WeakPolarHBondContact O-CG 3.39Å; L175-M179 PolarHBondContact O-N 3.28Å
180	T	95.7	Very high	83.4	Confident	62 Å²	62	66.9 Å²	66.9	38%	0.38	40%	0.399	S	S	.	.	I	π-helix	trans	-106	-46.3	-176.3	-56	0	0	0	0	112	F176	F176-T180 HydrophobicContact CD2-CG2 4.42Å; F176-T180 HydrophobicContact CE1-CG2 4.25Å; F176-T180 HydrophobicContact CE2-CG2 3.77Å; F176-T180 HydrophobicContact CZ-CG2 3.67Å; F176-T180 WeakPolarHBondContact O-CA 3.41Å; F176-T180 WeakPolarHBondContact O-CB 3.3Å; F176-T180 PolarHBondContact O-N 3.05Å
181	L	95.7	Very high	82.7	Confident	12 Å²	12	67.9 Å²	67.9	6%	0.063	39%	0.392	C	S	.	.	I	π-helix	trans	-91.2	-33.3	-173	-57.7	-175.1	0	0	0	113.5	F60 F63 M109 F176 D177 G183	F60-L181 HydrophobicContact CB-CD1 4.14Å; F60-L181 HydrophobicContact CD1-CD1 3.48Å; F60-L181 VanDerWaalsContact CD1-CD1 3.48Å; F60-L181 HydrophobicContact CD2-CD1 3.58Å; F60-L181 HydrophobicContact CE1-CD1 3.71Å; F60-L181 HydrophobicContact CE2-CD1 3.8Å; F60-L181 HydrophobicContact CG-CD1 3.44Å; F60-L181 VanDerWaalsContact CG-CD1 3.44Å; F60-L181 HydrophobicContact CZ-CD1 3.87Å; F63-L181 HydrophobicContact CB-CD1 4.23Å; F63-L181 HydrophobicContact CB-CD2 4.26Å; F63-L181 HydrophobicContact CD2-CD2 3.97Å; F63-L181 HydrophobicContact CG-CD2 4.04Å; M109-L181 HydrophobicContact CE-CD1 4.02Å; M109-L181 HydrophobicContact CE-CD2 4.3Å; F176-L181 HydrophobicContact CD1-CD1 4.06Å; F176-L181 HydrophobicContact CD1-CG 3.99Å; F176-L181 HydrophobicContact CE1-CD1 3.86Å; F176-L181 HydrophobicContact CE1-CD2 3.83Å; F176-L181 HydrophobicContact CE1-CG 3.69Å; F176-L181 HydrophobicContact CZ-CD2 4.45Å; F176-L181 PolarHBondContact O-N 3.35Å; D177-L181 PolarHBondContact O-N 3.32Å; L181-G183 PolarHBondContact O-N 3.42Å
182	S	79.4	Confident	81.8	Confident	35 Å²	35	64.3 Å²	64.3	25%	0.245	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-69.7	-20.1	-178	-56.7	0	0	0	0	113.8	D177 K178 N184 S185	D177-S182 WeakPolarHBondContact O-CB 3.49Å; D177-S182 PolarHBondContact O-N 3.13Å; D177-S182 PolarHBondContact O-OG 3.43Å; K178-S182 WeakPolarHBondContact CA-OG 3.41Å; K178-S182 WeakPolarHBondContact O-CB 3.4Å; S182-N184 PolarHBondContact O-N 3.11Å; S182-N184 VanDerWaalsContact O-N 3.08Å; S182-S185 PolarHBondContact O-N 2.9Å; S182-S185 PolarHBondContact O-OG 2.92Å
183	G	60.6	Low	80.7	Confident	56 Å²	56	68.4 Å²	68.4	58%	0.577	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.9	-10.4	-171.3	0	0	0	0	0	116.2	L181	L181-G183 PolarHBondContact O-N 3.42Å
184	N	52.2	Low	79.5	Confident	120 Å²	120	71.5 Å²	71.5	64%	0.642	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-106.9	16.6	178.5	-71	-11.8	0	0	0	113	R66 S182 S186	R66-N184 VanDerWaalsContact CZ-O 3.23Å; R66-N184 PolarHBondContact NH1-O 2.88Å; R66-N184 PolarHBondContact NH2-O 3.05Å; S182-N184 PolarHBondContact O-N 3.11Å; S182-N184 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact O-N 3.28Å
185	S	39	Very low	78.1	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	42%	0.419	S	S	.	.			trans	-97.3	51.2	-178.5	-36.1	0	0	0	0	111.8	S182	S182-S185 PolarHBondContact O-N 2.9Å; S182-S185 PolarHBondContact O-OG 2.92Å
186	S	31.2	Very low	76.4	Confident	183 Å²	183	69.5 Å²	69.5	100%	1.28	43%	0.431	S	S	*	.			trans	-116.7	0	172.5	-51.7	0	0	0	0	110.1	N184	N184-S186 PolarHBondContact O-N 3.28Å

Retrieved 186 of 186 residues in 262.7 ms (Link to these results)

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