A0A077ZKF4_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZKF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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	62	Low	82.2	Confident	222 Å²	222	119.5 Å²	119.5	100%	1.094	63%	0.632	S	S	*	*				0	116.2	0	-169.4	172.9	81	0	0	107.5	L3	M1-L3 HydrophobicContact CE-CD2 4.39Å
2	V	77.1	Confident	82.7	Confident	135 Å²	135	124.4 Å²	124.4	82%	0.818	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-95.7	126.4	175.2	-179	0	0	0	0	106.4	Q4	V2-Q4 PolarHBondContact O-N 3.25Å
3	L	74.2	Confident	83.2	Confident	111 Å²	111	128 Å²	128	58%	0.581	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-68.4	127.5	173.8	-64.8	176.1	0	0	0	108.4	M1 V7	M1-L3 HydrophobicContact CE-CD2 4.39Å; L3-V7 HydrophobicContact CD2-CG1 4.4Å
4	Q	84.5	Confident	83.4	Confident	136 Å²	136	125.9 Å²	125.9	64%	0.636	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-81	156.8	174.9	-65.1	174.2	-36.7	0	0	109.8	V2 D6 V7	V2-Q4 PolarHBondContact O-N 3.25Å; Q4-D6 WeakPolarHBondContact CB-OD1 3.28Å; Q4-D6 PolarHBondContact O-N 2.88Å; Q4-V7 HydrophobicContact CB-CG2 4.27Å; Q4-V7 WeakPolarHBondContact O-CB 3.32Å; Q4-V7 VanDerWaalsContact O-CG2 3.3Å; Q4-V7 WeakPolarHBondContact O-CG2 3.26Å; Q4-V7 PolarHBondContact O-N 3.44Å; Q4-V7 VanDerWaalsContact O-N 3.12Å
5	N	82.7	Confident	83.8	Confident	176 Å²	176	123.3 Å²	123.3	94%	0.941	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-17.7	-176.1	-72.7	-17.1	0	0	0	113.8	V7	N5-V7 VanDerWaalsContact C-N 3.29Å
6	D	85	Confident	84.1	Confident	123 Å²	123	120.9 Å²	120.9	66%	0.658	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-9.3	174.9	62.9	-34.3	0	0	0	113.1	Q4 Q8	Q4-D6 WeakPolarHBondContact CB-OD1 3.28Å; Q4-D6 PolarHBondContact O-N 2.88Å; D6-Q8 PolarHBondContact O-N 3.04Å
7	V	83.8	Confident	84.4	Confident	40 Å²	40	115.2 Å²	115.2	24%	0.242	60%	0.595	C	S	.	*			trans	-71	104.5	177.8	-178.5	0	0	0	0	109.9	L3 Q4 N5 L9	L3-V7 HydrophobicContact CD2-CG1 4.4Å; Q4-V7 HydrophobicContact CB-CG2 4.27Å; Q4-V7 WeakPolarHBondContact O-CB 3.32Å; Q4-V7 VanDerWaalsContact O-CG2 3.3Å; Q4-V7 WeakPolarHBondContact O-CG2 3.26Å; Q4-V7 PolarHBondContact O-N 3.44Å; Q4-V7 VanDerWaalsContact O-N 3.12Å; N5-V7 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 3.48Å
8	Q	85.9	Confident	84.6	Confident	166 Å²	166	120.8 Å²	120.8	78%	0.776	61%	0.614	S	S	*	*			trans	-66.2	115.9	177.6	-170.5	173.8	13.2	0	0	111.7	D6 R57	D6-Q8 PolarHBondContact O-N 3.04Å; Q8-R57 WeakPolarHBondContact O-CD 3.35Å; Q8-R57 PolarHBondContact O-NH1 3.45Å
9	L	88.6	Confident	84.9	Confident	125 Å²	125	118.8 Å²	118.8	65%	0.654	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-84.7	144.8	175.9	-63.4	178.3	0	0	0	111	V7	V7-L9 PolarHBondContact O-N 3.48Å
10	P	89.9	Confident	85.3	Confident	31 Å²	31	117.4 Å²	117.4	20%	0.201	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-57.6	149.9	172.8	-22.8	33.4	0	0	0	112	E14 L15 R57 L60	P10-E14 HydrophobicContact CB-CB 4.38Å; P10-L15 HydrophobicContact CB-CD2 4.23Å; P10-L15 HydrophobicContact CB-CG 4.17Å; P10-R57 HydrophobicContact CG-CB 4.1Å; P10-R57 HydrophobicContact CG-CG 3.76Å; P10-L60 HydrophobicContact CB-CD1 3.82Å; P10-L60 HydrophobicContact CG-CD1 3.74Å
11	S	90.7	Very high	85.6	Confident	50 Å²	50	114.3 Å²	114.3	35%	0.35	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-68.7	158.3	173.4	68.5	0	0	0	0	111.6	E13 E14 L15	S11-E13 PolarHBondContact O-N 3.43Å; S11-E14 PolarHBondContact O-N 2.87Å; S11-E14 VanDerWaalsContact OG-CD 3.24Å; S11-E14 WeakPolarHBondContact OG-CG 3.46Å; S11-E14 PolarHBondContact OG-N 3.44Å; S11-E14 PolarHBondContact OG-OE1 2.75Å; S11-L15 WeakPolarHBondContact O-CG 3.35Å; S11-L15 PolarHBondContact O-N 3.44Å
12	K	88.2	Confident	87	Confident	178 Å²	178	110.1 Å²	110.1	77%	0.774	56%	0.56	S	S	*	*	H	α-helix	trans	-60.4	-32.6	176.9	-173	175.6	179.8	-179.7	0	112	L15 T16	K12-L15 PolarHBondContact O-N 3.29Å; K12-T16 PolarHBondContact O-N 3.16Å; K12-T16 VanDerWaalsContact O-N 3.11Å; K12-T16 PolarHBondContact O-OG1 3.24Å
13	E	88.7	Confident	87.7	Confident	171 Å²	171	106.5 Å²	106.5	80%	0.799	54%	0.538	S	S	*	.	H	α-helix	trans	-67.2	-41.5	178.8	-63.1	-179.9	-176	0	0	111.5	S11 L15 T16	S11-E13 PolarHBondContact O-N 3.43Å; E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.08Å; E13-T16 PolarHBondContact O-N 3.26Å
14	E	86.7	Confident	88.7	Confident	98 Å²	98	104.2 Å²	104.2	46%	0.458	53%	0.531	S	S	.	.	H	α-helix	trans	-64	-32.9	175.2	-74.1	159.4	-129.8	0	0	112.9	P10 S11 T16 R64	P10-E14 HydrophobicContact CB-CB 4.38Å; S11-E14 PolarHBondContact O-N 2.87Å; S11-E14 VanDerWaalsContact OG-CD 3.24Å; S11-E14 WeakPolarHBondContact OG-CG 3.46Å; S11-E14 PolarHBondContact OG-N 3.44Å; S11-E14 PolarHBondContact OG-OE1 2.75Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-R64 PolarHBondContact O-NH1 3.42Å
15	L	89	Confident	89.2	Confident	87 Å²	87	101.7 Å²	101.7	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-79.2	-18.9	178.1	-66.5	171.9	0	0	0	112.9	P10 S11 K12 E13 V17 L60	P10-L15 HydrophobicContact CB-CD2 4.23Å; P10-L15 HydrophobicContact CB-CG 4.17Å; S11-L15 WeakPolarHBondContact O-CG 3.35Å; S11-L15 PolarHBondContact O-N 3.44Å; K12-L15 PolarHBondContact O-N 3.29Å; E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.08Å; L15-V17 PolarHBondContact O-N 3.47Å; L15-L60 HydrophobicContact CD2-CD1 3.98Å; L15-L60 HydrophobicContact CD2-CD2 3.73Å
16	T	89	Confident	89.8	Confident	86 Å²	86	93.8 Å²	93.8	53%	0.528	49%	0.487	S	S	.	.			trans	-74.8	121	-174.7	-60.4	0	0	0	0	110.5	K12 E13 E14	K12-T16 PolarHBondContact O-N 3.16Å; K12-T16 VanDerWaalsContact O-N 3.11Å; K12-T16 PolarHBondContact O-OG1 3.24Å; E13-T16 PolarHBondContact O-N 3.26Å; E14-T16 VanDerWaalsContact C-N 3.34Å
17	V	89.2	Confident	90.4	Very high	24 Å²	24	88.1 Å²	88.1	15%	0.145	46%	0.457	C	S	.	.			trans	-90.4	152.4	171.7	-166.3	0	0	0	0	109.7	L15 Q19 E20 R64 T67	L15-V17 PolarHBondContact O-N 3.47Å; V17-Q19 PolarHBondContact O-N 3.46Å; V17-E20 WeakPolarHBondContact CB-OE1 3.48Å; V17-E20 VanDerWaalsContact CG2-OE1 3.29Å; V17-E20 WeakPolarHBondContact CG2-OE1 3.47Å; V17-R64 HydrophobicContact CG2-CG 3.9Å; V17-T67 HydrophobicContact CG1-CG2 4Å
18	K	87.2	Confident	91	Very high	216 Å²	216	89.2 Å²	89.2	94%	0.939	46%	0.461	S	S	*	.	S	Bend	trans	-55.9	-36.9	178.7	-68.9	-178.9	179.7	175.3	0	113.3
19	Q	90.8	Very high	91.4	Very high	83 Å²	83	87.6 Å²	87.6	39%	0.388	45%	0.448	S	S	.	.	S	Bend	trans	-153.9	127.2	177.4	177.1	61.7	56.5	0	0	107.9	V17 D22 V71	V17-Q19 PolarHBondContact O-N 3.46Å; Q19-D22 PolarHBondContact NE2-OD2 2.89Å; Q19-D22 VanDerWaalsContact NE2-OD2 3.14Å; Q19-V71 HydrophobicContact CB-CG1 4.41Å; Q19-V71 HydrophobicContact CB-CG2 4.46Å; Q19-V71 HydrophobicContact CG-CG1 4.01Å; Q19-V71 HydrophobicContact CG-CG2 4.13Å
20	E	92.5	Very high	91.8	Very high	90 Å²	90	81.7 Å²	81.7	42%	0.421	42%	0.417	S	S	.	.			trans	-84.1	160.9	173.1	-64.3	-62.4	166.6	0	0	111.5	V17 D22	V17-E20 WeakPolarHBondContact CB-OE1 3.48Å; V17-E20 VanDerWaalsContact CG2-OE1 3.29Å; V17-E20 WeakPolarHBondContact CG2-OE1 3.47Å; E20-D22 PolarHBondContact O-N 3.33Å; E20-D22 VanDerWaalsContact O-N 3.08Å
21	L	91.8	Very high	92.1	Very high	53 Å²	53	80.2 Å²	80.2	28%	0.277	41%	0.408	S	S	.	.			trans	-80.1	81.1	175.2	-77	166.2	0	0	0	110.8	V23 T67 V71 L74	L21-V23 PolarHBondContact O-N 2.84Å; L21-T67 HydrophobicContact CG-CG2 4.41Å; L21-V71 HydrophobicContact CD2-CG2 3.8Å; L21-V71 HydrophobicContact CG-CG2 4.01Å; L21-L74 HydrophobicContact CD2-CD1 3.5Å; L21-L74 VanDerWaalsContact CD2-CD1 3.5Å; L21-L74 HydrophobicContact CD2-CG 4.47Å
22	D	90.7	Very high	92.3	Very high	133 Å²	133	79.5 Å²	79.5	71%	0.711	41%	0.405	S	S	*	.			trans	-79.2	57.3	179	-58.5	-34.3	0	0	0	112.1	Q19 E20	Q19-D22 PolarHBondContact NE2-OD2 2.89Å; Q19-D22 VanDerWaalsContact NE2-OD2 3.14Å; E20-D22 PolarHBondContact O-N 3.33Å; E20-D22 VanDerWaalsContact O-N 3.08Å
23	V	93.4	Very high	92.7	Very high	59 Å²	59	74.3 Å²	74.3	36%	0.358	38%	0.381	S	S	.	.			trans	-126.7	151.7	179	-67.7	0	0	0	0	111.8	L21 A27 L28 L74	L21-V23 PolarHBondContact O-N 2.84Å; V23-A27 HydrophobicContact CB-CB 4.05Å; V23-A27 HydrophobicContact CG2-CB 4.49Å; V23-L28 HydrophobicContact CG2-CD1 4.48Å; V23-L28 HydrophobicContact CG2-CD2 3.54Å; V23-L28 HydrophobicContact CG2-CG 3.76Å; V23-L74 HydrophobicContact CB-CD1 4.46Å; V23-L74 HydrophobicContact CG1-CD1 3.87Å; V23-L74 HydrophobicContact CG2-CD1 3.81Å
24	S	94.4	Very high	93.1	Very high	64 Å²	64	66.2 Å²	66.2	45%	0.448	34%	0.343	S	S	.	.			trans	-71.2	156.9	-179.8	62.8	0	0	0	0	112.2	P26 A27 L28	S24-P26 VanDerWaalsContact C-CD 3.43Å; S24-P26 VanDerWaalsContact C-N 3.34Å; S24-A27 VanDerWaalsContact O-CB 3.31Å; S24-A27 WeakPolarHBondContact O-CB 2.97Å; S24-A27 PolarHBondContact O-N 3.32Å; S24-L28 PolarHBondContact O-N 3.48Å
25	S	94.8	Very high	93.6	Very high	82 Å²	82	63.1 Å²	63.1	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-52.4	-41	177.7	-52.4	0	0	0	0	114.4	A27 L28 R29	S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 2.04Å; S25-L28 PolarHBondContact O-N 3.47Å; S25-R29 WeakPolarHBondContact O-CB 3.39Å; S25-R29 PolarHBondContact O-N 3.08Å
26	P	95.9	Very high	93.9	Very high	11 Å²	11	60 Å²	60	7%	0.071	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-37.3	174.7	-21.9	31.7	0	0	0	113.3	S24 R29 A30 M89 D93 L99	S24-P26 VanDerWaalsContact C-CD 3.43Å; S24-P26 VanDerWaalsContact C-N 3.34Å; P26-R29 PolarHBondContact O-N 3.14Å; P26-A30 WeakPolarHBondContact O-CB 3.41Å; P26-A30 PolarHBondContact O-N 3.43Å; P26-M89 HydrophobicContact CB-CG 4.07Å; P26-D93 HydrophobicContact CB-CB 3.88Å; P26-D93 HydrophobicContact CG-CB 3.84Å; P26-D93 WeakPolarHBondContact CG-OD1 3.31Å; P26-L99 HydrophobicContact CB-CD2 4.33Å; P26-L99 HydrophobicContact CG-CD1 4.34Å; P26-L99 HydrophobicContact CG-CD2 3.93Å
27	A	96.3	Very high	94.2	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-46.7	177.3	0	0	0	0	0	110.9	V23 S24 S25 R29 A30 A31 F85 M89	V23-A27 HydrophobicContact CB-CB 4.05Å; V23-A27 HydrophobicContact CG2-CB 4.49Å; S24-A27 VanDerWaalsContact O-CB 3.31Å; S24-A27 WeakPolarHBondContact O-CB 2.97Å; S24-A27 PolarHBondContact O-N 3.32Å; S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 2.04Å; A27-R29 VanDerWaalsContact C-N 3.28Å; A27-R29 PolarHBondContact O-N 2.93Å; A27-A30 PolarHBondContact O-N 3.02Å; A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.28Å; A27-A31 PolarHBondContact O-N 2.79Å; A27-F85 HydrophobicContact CB-CE1 4.27Å; A27-F85 HydrophobicContact CB-CZ 4.2Å; A27-F85 WeakPolarHBondContact O-CZ 3.37Å; A27-M89 HydrophobicContact CB-CG 4.2Å; A27-M89 HydrophobicContact CB-SD 3.62Å
28	L	96.5	Very high	94.6	Very high	62 Å²	62	62.5 Å²	62.5	33%	0.325	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-40.1	175.7	-67	174.1	0	0	0	111.4	V23 S24 S25 A31 A32 M35	V23-L28 HydrophobicContact CG2-CD1 4.48Å; V23-L28 HydrophobicContact CG2-CD2 3.54Å; V23-L28 HydrophobicContact CG2-CG 3.76Å; S24-L28 PolarHBondContact O-N 3.48Å; S25-L28 PolarHBondContact O-N 3.47Å; L28-A31 PolarHBondContact O-N 2.97Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.16Å; L28-M35 HydrophobicContact CD2-CE 4.33Å
29	R	95.5	Very high	95.1	Very high	132 Å²	132	52.4 Å²	52.4	50%	0.498	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-41.5	179.1	-162.6	65.1	169.7	168	-3.5	112.4	S25 P26 A27 A32 V92 L99 L101	S25-R29 WeakPolarHBondContact O-CB 3.39Å; S25-R29 PolarHBondContact O-N 3.08Å; P26-R29 PolarHBondContact O-N 3.14Å; A27-R29 VanDerWaalsContact C-N 3.28Å; A27-R29 PolarHBondContact O-N 2.93Å; R29-A32 WeakPolarHBondContact O-CB 3.3Å; R29-A32 PolarHBondContact O-N 3.14Å; R29-V92 HydrophobicContact CB-CG1 4.31Å; R29-V92 HydrophobicContact CG-CG1 4.28Å; R29-L99 HydrophobicContact CG-CB 4.46Å; R29-L101 HydrophobicContact CG-CD2 3.89Å; R29-L101 HydrophobicContact CG-CG 4.39Å
30	A	96.6	Very high	95.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-40.5	175.3	0	0	0	0	0	111.9	P26 A27 A32 F85 Y88 M89	P26-A30 WeakPolarHBondContact O-CB 3.41Å; P26-A30 PolarHBondContact O-N 3.43Å; A27-A30 PolarHBondContact O-N 3.02Å; A30-A32 VanDerWaalsContact C-N 3.35Å; A30-F85 HydrophobicContact CB-CE2 3.94Å; A30-F85 HydrophobicContact CB-CZ 4.3Å; A30-Y88 HydrophobicContact CB-CD1 3.69Å; A30-Y88 HydrophobicContact CB-CE1 3.75Å; A30-Y88 HydrophobicContact CB-CG 4.34Å; A30-Y88 WeakPolarHBondContact O-CE1 3.38Å; A30-M89 HydrophobicContact CB-CB 4.39Å
31	A	96.4	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73	-23.3	178.6	0	0	0	0	0	113.9	A27 L28 Y33 H34 M35 F73 L74 F85	A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.28Å; A27-A31 PolarHBondContact O-N 2.79Å; L28-A31 PolarHBondContact O-N 2.97Å; A31-Y33 VanDerWaalsContact C-N 3.31Å; A31-Y33 PolarHBondContact O-N 3.21Å; A31-H34 PolarHBondContact O-N 3.33Å; A31-M35 HydrophobicContact CB-CB 4.29Å; A31-M35 HydrophobicContact CB-SD 4.5Å; A31-M35 VanDerWaalsContact O-CB 3.23Å; A31-M35 WeakPolarHBondContact O-CB 3.32Å; A31-M35 PolarHBondContact O-N 3.4Å; A31-F73 HydrophobicContact CB-CE1 3.94Å; A31-L74 HydrophobicContact CB-CD2 4.14Å; A31-F85 HydrophobicContact CB-CE2 3.99Å; A31-F85 HydrophobicContact CB-CZ 4.21Å
32	A	95.6	Very high	95.6	Very high	36 Å²	36	49.6 Å²	49.6	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-47.1	-42.1	-164.1	0	0	0	0	0	116	L28 R29 A30 G36	L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.16Å; R29-A32 WeakPolarHBondContact O-CB 3.3Å; R29-A32 PolarHBondContact O-N 3.14Å; A30-A32 VanDerWaalsContact C-N 3.35Å; A32-G36 WeakPolarHBondContact O-CA 3.09Å; A32-G36 PolarHBondContact O-N 3.12Å
33	Y	95.2	Very high	95.8	Very high	69 Å²	69	44.6 Å²	44.6	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-72	-49.5	-177	-73.4	-90.4	0	0	0	112.9	A31 K37 L101 R123 P124 F129	A31-Y33 VanDerWaalsContact C-N 3.31Å; A31-Y33 PolarHBondContact O-N 3.21Å; Y33-K37 PolarHBondContact O-N 3.35Å; Y33-L101 HydrophobicContact CD2-CD1 4.3Å; Y33-L101 HydrophobicContact CE2-CD1 3.5Å; Y33-L101 VanDerWaalsContact CE2-CD1 3.5Å; Y33-R123 VanDerWaalsContact CG-NH2 3.29Å; Y33-P124 WeakPolarHBondContact O-CG 3.47Å; Y33-F129 HydrophobicContact CD1-CE2 4.1Å
34	H	97	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72	-42.7	179.7	-73.7	-67.9	0	0	0	110.8	A31 G36 K37 Y38 F73 F111 D112 M115 M121	A31-H34 PolarHBondContact O-N 3.33Å; H34-G36 PolarHBondContact O-N 2.9Å; H34-K37 PolarHBondContact O-N 3.2Å; H34-Y38 WeakPolarHBondContact O-CB 3.31Å; H34-Y38 PolarHBondContact O-N 3Å; H34-F73 HydrophobicContact CB-CE2 3.82Å; H34-F73 HydrophobicContact CB-CZ 3.49Å; H34-F73 VanDerWaalsContact CB-CZ 3.49Å; H34-F111 AromaticContact CD2-CE1 3.57Å; H34-D112 IonicContact CD2-OD1 3.77Å; H34-D112 IonicContact CE1-OD1 2.59Å; H34-D112 IonicContact NE2-OD1 3.51Å; H34-D112 PolarHBondContact NE2-OD1 3.41Å; H34-M115 HydrophobicContact CB-CE 4.44Å; H34-M121 HydrophobicContact CB-SD 3.95Å
35	M	97.2	Very high	95.9	Very high	34 Å²	34	42.2 Å²	42.2	17%	0.167	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-43.1	176	-169.5	170.6	69.4	0	0	111.5	L28 A31 K37 Y38 C39 F73	L28-M35 HydrophobicContact CD2-CE 4.33Å; A31-M35 HydrophobicContact CB-CB 4.29Å; A31-M35 HydrophobicContact CB-SD 4.5Å; A31-M35 VanDerWaalsContact O-CB 3.23Å; A31-M35 WeakPolarHBondContact O-CB 3.32Å; A31-M35 PolarHBondContact O-N 3.4Å; M35-K37 VanDerWaalsContact C-N 3.31Å; M35-K37 PolarHBondContact O-N 2.92Å; M35-Y38 PolarHBondContact O-N 3.09Å; M35-C39 WeakPolarHBondContact O-CB 3.39Å; M35-C39 PolarHBondContact O-N 3.39Å; M35-F73 HydrophobicContact CB-CD1 3.58Å; M35-F73 HydrophobicContact CB-CE1 3.68Å; M35-F73 HydrophobicContact CB-CG 4.06Å; M35-F73 HydrophobicContact CB-CZ 4.22Å; M35-F73 HydrophobicContact CG-CB 4.26Å; M35-F73 HydrophobicContact CG-CD1 3.68Å; M35-F73 HydrophobicContact CG-CE1 4.3Å; M35-F73 HydrophobicContact CG-CG 3.98Å; M35-F73 HydrophobicContact SD-CD1 4.09Å
36	G	96	Very high	96	Very high	21 Å²	21	41 Å²	41	22%	0.216	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-35.3	177.4	0	0	0	0	0	113.2	A32 H34 D40	A32-G36 WeakPolarHBondContact O-CA 3.09Å; A32-G36 PolarHBondContact O-N 3.12Å; H34-G36 PolarHBondContact O-N 2.9Å; G36-D40 VanDerWaalsContact O-CA 3.28Å; G36-D40 WeakPolarHBondContact O-CA 3Å; G36-D40 WeakPolarHBondContact O-CB 3.42Å; G36-D40 PolarHBondContact O-N 3.1Å
37	K	96.1	Very high	95.9	Very high	70 Å²	70	45.2 Å²	45.2	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-74.5	-41	174.6	-172.1	176.1	169.6	178.7	0	112.3	Y33 H34 M35 D40 E122 P124	Y33-K37 PolarHBondContact O-N 3.35Å; H34-K37 PolarHBondContact O-N 3.2Å; M35-K37 VanDerWaalsContact C-N 3.31Å; M35-K37 PolarHBondContact O-N 2.92Å; K37-D40 VanDerWaalsContact O-CB 3.28Å; K37-D40 WeakPolarHBondContact O-CB 3.41Å; K37-D40 PolarHBondContact O-N 3.15Å; K37-E122 WeakPolarHBondContact CD-O 3.38Å; K37-E122 PolarHBondContact NZ-O 3.36Å; K37-P124 HydrophobicContact CB-CG 3.79Å; K37-P124 HydrophobicContact CD-CG 3.84Å; K37-P124 HydrophobicContact CG-CG 4.25Å
38	Y	96.9	Very high	95.7	Very high	92 Å²	92	47 Å²	47	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-45.9	178.8	-178.4	-100.9	0	0	0	111.3	H34 M35 D40 F73 M76 M121	H34-Y38 WeakPolarHBondContact O-CB 3.31Å; H34-Y38 PolarHBondContact O-N 3Å; M35-Y38 PolarHBondContact O-N 3.09Å; Y38-D40 VanDerWaalsContact C-N 3.3Å; Y38-D40 PolarHBondContact O-N 3.41Å; Y38-F73 HydrophobicContact CD1-CB 3.74Å; Y38-F73 AromaticContact CD1-CD2 3.86Å; Y38-F73 HydrophobicContact CD1-CD2 3.86Å; Y38-F73 HydrophobicContact CD1-CG 4.24Å; Y38-F73 HydrophobicContact CD2-CD2 4.48Å; Y38-F73 HydrophobicContact CE1-CB 4.08Å; Y38-F73 AromaticContact CG-CD2 3.77Å; Y38-F73 HydrophobicContact CG-CD2 3.77Å; Y38-M76 HydrophobicContact CD2-CE 4.31Å; Y38-M76 HydrophobicContact CE2-CE 4.33Å; Y38-M76 HydrophobicContact CE2-SD 4.31Å; Y38-M121 HydrophobicContact CD2-CE 3.55Å; Y38-M121 HydrophobicContact CG-CE 4.12Å
39	C	96.9	Very high	95.5	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.034	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	19	179.1	-60.4	0	0	0	0	113.6	M35 N41 V42 S43 C69	M35-C39 WeakPolarHBondContact O-CB 3.39Å; M35-C39 PolarHBondContact O-N 3.39Å; C39-N41 PolarHBondContact O-N 3.39Å; C39-V42 PolarHBondContact O-N 2.04Å; C39-S43 VanDerWaalsContact O-CB 3.23Å; C39-S43 WeakPolarHBondContact O-CB 3.06Å; C39-S43 PolarHBondContact O-N 3.23Å; C39-S43 PolarHBondContact O-OG 2.86Å; C39-C69 WeakPolarHBondContact CA-SG 3.37Å; C39-C69 HydrophobicContact CB-CB 3.98Å; C39-C69 WeakPolarHBondContact CB-SG 3.42Å; C39-C69 WeakPolarHBondContact SG-CB 3.16Å; C39-C69 CovalentContact SG-SG 2.04Å; C39-C69 PolarHBondContact SG-SG 3.31Å
40	D	95.4	Very high	95.4	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-47.7	-169.9	-167.6	69.4	0	0	0	111.8	G36 K37 Y38 K44 R133	G36-D40 VanDerWaalsContact O-CA 3.28Å; G36-D40 WeakPolarHBondContact O-CA 3Å; G36-D40 WeakPolarHBondContact O-CB 3.42Å; G36-D40 PolarHBondContact O-N 3.1Å; K37-D40 VanDerWaalsContact O-CB 3.28Å; K37-D40 WeakPolarHBondContact O-CB 3.41Å; K37-D40 PolarHBondContact O-N 3.15Å; Y38-D40 VanDerWaalsContact C-N 3.3Å; Y38-D40 PolarHBondContact O-N 3.41Å; D40-K44 WeakPolarHBondContact O-CB 3.05Å; D40-K44 VanDerWaalsContact O-CG 3.26Å; D40-K44 WeakPolarHBondContact O-CG 3.13Å; D40-K44 PolarHBondContact O-N 2.72Å; D40-K44 WeakPolarHBondContact OD2-CE 3.39Å; D40-K44 IonicContact OD2-NZ 3.11Å; D40-K44 PolarHBondContact OD2-NZ 3.49Å; D40-R133 VanDerWaalsContact CG-NH2 3.27Å; D40-R133 PolarHBondContact O-NH2 3.43Å; D40-R133 IonicContact OD1-CZ 3.77Å; D40-R133 IonicContact OD1-NE 3.48Å; D40-R133 IonicContact OD1-NH2 2.95Å; D40-R133 PolarHBondContact OD1-NH2 2.98Å; D40-R133 IonicContact OD2-NH2 3.81Å
41	N	94.8	Very high	95	Very high	110 Å²	110	48.8 Å²	48.8	59%	0.588	25%	0.246	S	C	*	.	H	α-helix	trans	-67.4	-44.9	-178.4	-69.6	-17.5	0	0	0	112.7	C39 S43 K44 E45	C39-N41 PolarHBondContact O-N 3.39Å; N41-S43 VanDerWaalsContact C-N 3.34Å; N41-K44 WeakPolarHBondContact O-CB 3.26Å; N41-K44 PolarHBondContact O-N 3.26Å; N41-E45 PolarHBondContact O-N 3.38Å; N41-E45 VanDerWaalsContact O-N 3.08Å
42	V	96	Very high	94.7	Very high	50 Å²	50	51 Å²	51	30%	0.303	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-39.9	179	-175.4	0	0	0	0	110.5	C39 K44 E45 F46 D65 V66	C39-V42 PolarHBondContact O-N 2.04Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.72Å; V42-E45 WeakPolarHBondContact O-CB 3.32Å; V42-E45 PolarHBondContact O-N 2.94Å; V42-F46 PolarHBondContact O-N 3.14Å; V42-F46 VanDerWaalsContact O-N 3.13Å; V42-D65 VanDerWaalsContact CG1-C 3.5Å; V42-D65 HydrophobicContact CG1-CB 3.59Å; V42-V66 HydrophobicContact CG1-CG2 3.93Å
43	S	95.5	Very high	94.2	Very high	27 Å²	27	52.3 Å²	52.3	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-36.6	175.7	-56.9	0	0	0	0	111.9	C39 N41 F46 M47	C39-S43 VanDerWaalsContact O-CB 3.23Å; C39-S43 WeakPolarHBondContact O-CB 3.06Å; C39-S43 PolarHBondContact O-N 3.23Å; C39-S43 PolarHBondContact O-OG 2.86Å; N41-S43 VanDerWaalsContact C-N 3.34Å; S43-F46 PolarHBondContact O-N 3.06Å; S43-M47 WeakPolarHBondContact O-CB 3.42Å; S43-M47 WeakPolarHBondContact O-CG 3.48Å; S43-M47 PolarHBondContact O-N 2.81Å
44	K	95.4	Very high	93.7	Very high	37 Å²	37	56.5 Å²	56.5	16%	0.161	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-41.9	174.7	-82.1	166.2	173.1	165.5	0	112	D40 N41 V42 M47 L48 H135	D40-K44 WeakPolarHBondContact O-CB 3.05Å; D40-K44 VanDerWaalsContact O-CG 3.26Å; D40-K44 WeakPolarHBondContact O-CG 3.13Å; D40-K44 PolarHBondContact O-N 2.72Å; D40-K44 WeakPolarHBondContact OD2-CE 3.39Å; D40-K44 IonicContact OD2-NZ 3.11Å; D40-K44 PolarHBondContact OD2-NZ 3.49Å; N41-K44 WeakPolarHBondContact O-CB 3.26Å; N41-K44 PolarHBondContact O-N 3.26Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.72Å; K44-M47 PolarHBondContact O-N 2.94Å; K44-L48 WeakPolarHBondContact O-CB 3.4Å; K44-L48 PolarHBondContact O-N 3.29Å; K44-H135 HydrophobicContact CB-CB 3.83Å; K44-H135 HydrophobicContact CD-CB 4.27Å; K44-H135 HydrophobicContact CG-CB 4.34Å
45	E	95	Very high	93.2	Very high	37 Å²	37	57.8 Å²	57.8	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-47.9	176.7	-170.5	58.3	-109.3	0	0	111.2	N41 V42 M47 L48 C49 E62 H135 T137 R139	N41-E45 PolarHBondContact O-N 3.38Å; N41-E45 VanDerWaalsContact O-N 3.08Å; V42-E45 WeakPolarHBondContact O-CB 3.32Å; V42-E45 PolarHBondContact O-N 2.94Å; E45-M47 PolarHBondContact O-N 2.9Å; E45-L48 PolarHBondContact O-N 3.45Å; E45-C49 WeakPolarHBondContact O-CB 3.47Å; E45-C49 PolarHBondContact O-N 3.11Å; E45-E62 HydrophobicContact CG-CG 4.01Å; E45-H135 IonicContact OE2-CD2 2.75Å; E45-H135 PolarHBondContact OE2-CD2 3.03Å; E45-H135 IonicContact OE2-CE1 3.84Å; E45-H135 IonicContact OE2-NE2 2.66Å; E45-H135 PolarHBondContact OE2-NE2 3.45Å; E45-T137 VanDerWaalsContact CD-OG1 3.31Å; E45-T137 PolarHBondContact OE1-OG1 3.39Å; E45-T137 VanDerWaalsContact OE2-CB 3.32Å; E45-T137 WeakPolarHBondContact OE2-CB 3.46Å; E45-T137 PolarHBondContact OE2-OG1 2.99Å; E45-R139 WeakPolarHBondContact OE1-CD 3.45Å; E45-R139 IonicContact OE1-CZ 2.81Å; E45-R139 IonicContact OE1-NE 2.99Å; E45-R139 PolarHBondContact OE1-NE 2.81Å; E45-R139 IonicContact OE1-NH2 2.72Å
46	F	95.2	Very high	92.7	Very high	57 Å²	57	61 Å²	61	25%	0.25	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-45.1	174.7	173.3	-103.6	0	0	0	112.7	V42 S43 C49 R50 C59 E62 V66	V42-F46 PolarHBondContact O-N 3.14Å; V42-F46 VanDerWaalsContact O-N 3.13Å; S43-F46 PolarHBondContact O-N 3.06Å; F46-C49 PolarHBondContact O-N 3.29Å; F46-R50 WeakPolarHBondContact O-CB 3.09Å; F46-R50 PolarHBondContact O-N 3.21Å; F46-C59 HydrophobicContact CD2-CB 4.33Å; F46-C59 HydrophobicContact CE2-CB 4.26Å; F46-E62 HydrophobicContact CB-CB 3.97Å; F46-E62 HydrophobicContact CD2-CB 4.08Å; F46-V66 HydrophobicContact CB-CG2 3.78Å; F46-V66 HydrophobicContact CG-CG2 4.28Å
47	M	94.2	Very high	92.4	Very high	99 Å²	99	64.2 Å²	64.2	49%	0.488	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-38.2	179.9	-70.7	-57.9	-61.3	0	0	112.3	S43 K44 E45 R50 S51	S43-M47 WeakPolarHBondContact O-CB 3.42Å; S43-M47 WeakPolarHBondContact O-CG 3.48Å; S43-M47 PolarHBondContact O-N 2.81Å; K44-M47 PolarHBondContact O-N 2.94Å; E45-M47 PolarHBondContact O-N 2.9Å; M47-R50 PolarHBondContact O-N 3.43Å; M47-S51 WeakPolarHBondContact O-CB 3.47Å; M47-S51 PolarHBondContact O-N 3.28Å; M47-S51 PolarHBondContact O-OG 3.19Å
48	L	92.9	Very high	92.1	Very high	42 Å²	42	66.7 Å²	66.7	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-45.5	174.4	-173.6	67	0	0	0	110.2	K44 E45 R50 S51 E52 T137 R139	K44-L48 WeakPolarHBondContact O-CB 3.4Å; K44-L48 PolarHBondContact O-N 3.29Å; E45-L48 PolarHBondContact O-N 3.45Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.49Å; L48-S51 WeakPolarHBondContact CA-OG 3.43Å; L48-S51 PolarHBondContact O-N 3.03Å; L48-S51 VanDerWaalsContact O-N 3.13Å; L48-S51 PolarHBondContact O-OG 3.37Å; L48-E52 HydrophobicContact CD1-CG 4.38Å; L48-E52 HydrophobicContact CG-CG 4.47Å; L48-E52 WeakPolarHBondContact O-CG 3.47Å; L48-E52 PolarHBondContact O-N 2.91Å; L48-T137 HydrophobicContact CD2-CG2 3.42Å; L48-T137 VanDerWaalsContact CD2-CG2 3.42Å; L48-R139 VanDerWaalsContact C-NH2 3.26Å
49	C	92.7	Very high	91.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-47.5	177.5	-177.3	0	0	0	0	110.9	E45 F46 S51 E52 F53 C59 E62 R139	E45-C49 WeakPolarHBondContact O-CB 3.47Å; E45-C49 PolarHBondContact O-N 3.11Å; F46-C49 PolarHBondContact O-N 3.29Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.36Å; C49-E52 PolarHBondContact O-N 2.94Å; C49-F53 WeakPolarHBondContact O-CD2 3.43Å; C49-F53 PolarHBondContact O-N 2.98Å; C49-F53 VanDerWaalsContact SG-CD2 3.54Å; C49-C59 HydrophobicContact CB-CB 3.89Å; C49-C59 WeakPolarHBondContact CB-SG 3.34Å; C49-C59 PolarHBondContact O-SG 3.42Å; C49-C59 VanDerWaalsContact O-SG 3.41Å; C49-C59 WeakPolarHBondContact SG-CA 3.44Å; C49-C59 WeakPolarHBondContact SG-CB 3.37Å; C49-C59 CovalentContact SG-SG 2.04Å; C49-C59 PolarHBondContact SG-SG 3.25Å; C49-E62 HydrophobicContact CB-CG 4.36Å; C49-R139 VanDerWaalsContact CA-NH2 3.28Å
50	R	91.8	Very high	91.7	Very high	155 Å²	155	64.1 Å²	64.1	59%	0.585	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-40.3	176.9	179.9	178.3	169.8	147.5	0.5	112.3	F46 M47 L48 E54 C59	F46-R50 WeakPolarHBondContact O-CB 3.09Å; F46-R50 PolarHBondContact O-N 3.21Å; M47-R50 PolarHBondContact O-N 3.43Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.49Å; R50-E54 WeakPolarHBondContact O-CA 3.4Å; R50-E54 PolarHBondContact O-N 3.01Å; R50-E54 VanDerWaalsContact O-N 3.16Å; R50-C59 PolarHBondContact N-SG 2.91Å
51	S	89.2	Confident	91.6	Very high	75 Å²	75	69.8 Å²	69.8	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-72.6	-27.6	-179.5	68.7	0	0	0	0	113.9	M47 L48 C49	M47-S51 WeakPolarHBondContact O-CB 3.47Å; M47-S51 PolarHBondContact O-N 3.28Å; M47-S51 PolarHBondContact O-OG 3.19Å; L48-S51 WeakPolarHBondContact CA-OG 3.43Å; L48-S51 PolarHBondContact O-N 3.03Å; L48-S51 VanDerWaalsContact O-N 3.13Å; L48-S51 PolarHBondContact O-OG 3.37Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.36Å
52	E	89.1	Confident	91.5	Very high	46 Å²	46	66 Å²	66	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-90.4	-36	-176.9	-73	177.3	155.4	0	0	113.2	L48 C49 R139 P142	L48-E52 HydrophobicContact CD1-CG 4.38Å; L48-E52 HydrophobicContact CG-CG 4.47Å; L48-E52 WeakPolarHBondContact O-CG 3.47Å; L48-E52 PolarHBondContact O-N 2.91Å; C49-E52 PolarHBondContact O-N 2.94Å; E52-R139 IonicContact OE2-CZ 3.61Å; E52-R139 IonicContact OE2-NH1 3.61Å; E52-R139 PolarHBondContact OE2-NH1 3.16Å; E52-R139 IonicContact OE2-NH2 2.94Å; E52-R139 PolarHBondContact OE2-NH2 3.48Å; E52-P142 HydrophobicContact CB-CG 3.72Å
53	F	86.8	Confident	91.5	Very high	64 Å²	64	64.6 Å²	64.6	28%	0.281	32%	0.315	S	S	.	.	H	α-helix	trans	-95.7	-25.1	-176.9	-73.8	-66.9	0	0	0	114.1	C49 D55 K58 P142	C49-F53 WeakPolarHBondContact O-CD2 3.43Å; C49-F53 PolarHBondContact O-N 2.98Å; C49-F53 VanDerWaalsContact SG-CD2 3.54Å; F53-D55 PolarHBondContact O-N 2.99Å; F53-K58 HydrophobicContact CB-CB 4.33Å; F53-K58 HydrophobicContact CB-CD 4.03Å; F53-K58 HydrophobicContact CD1-CB 4.42Å; F53-K58 HydrophobicContact CD1-CD 3.41Å; F53-K58 VanDerWaalsContact CD1-CD 3.41Å; F53-K58 HydrophobicContact CD2-CB 4.24Å; F53-K58 HydrophobicContact CE1-CD 3.95Å; F53-K58 HydrophobicContact CG-CB 4.09Å; F53-K58 HydrophobicContact CG-CD 3.8Å; F53-P142 HydrophobicContact CD1-CB 4.02Å; F53-P142 HydrophobicContact CD1-CG 3.93Å; F53-P142 HydrophobicContact CE1-CB 3.52Å; F53-P142 HydrophobicContact CE1-CG 3.71Å; F53-P142 HydrophobicContact CE2-CG 4.44Å; F53-P142 HydrophobicContact CG-CG 4.42Å; F53-P142 HydrophobicContact CZ-CB 4.06Å; F53-P142 HydrophobicContact CZ-CG 3.99Å
54	E	84.1	Confident	91.4	Very high	157 Å²	157	67.1 Å²	67.1	73%	0.734	32%	0.321	S	S	*	.			trans	53.5	4.4	-170.5	-54.5	-164.7	155.4	0	0	115.5	R50	R50-E54 WeakPolarHBondContact O-CA 3.4Å; R50-E54 PolarHBondContact O-N 3.01Å; R50-E54 VanDerWaalsContact O-N 3.16Å
55	D	86.3	Confident	91.4	Very high	28 Å²	28	69 Å²	69	15%	0.15	33%	0.332	C	S	.	.			trans	-114.1	114.4	178.7	-174.7	-11.3	0	0	0	109.9	F53 R57 K58	F53-D55 PolarHBondContact O-N 2.99Å; D55-R57 PolarHBondContact O-N 3.11Å; D55-R57 VanDerWaalsContact OD1-CB 3.31Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.29Å; D55-R57 IonicContact OD1-CZ 3.51Å; D55-R57 PolarHBondContact OD1-N 3.29Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 PolarHBondContact OD1-NE 3.4Å; D55-R57 IonicContact OD1-NH2 3.02Å; D55-R57 IonicContact OD2-CZ 2.71Å; D55-R57 VanDerWaalsContact OD2-CZ 3.3Å; D55-R57 IonicContact OD2-NE 2.64Å; D55-R57 PolarHBondContact OD2-NE 2.81Å; D55-R57 VanDerWaalsContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.81Å; D55-R57 PolarHBondContact OD2-NH2 3.17Å; D55-K58 HydrophobicContact CB-CD 4.29Å; D55-K58 HydrophobicContact CB-CG 4.35Å; D55-K58 PolarHBondContact O-N 3.49Å
56	P	86.6	Confident	91.5	Very high	100 Å²	100	69.1 Å²	69.1	65%	0.649	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23	-178.3	26.7	-34.8	0	0	0	113.3	K58 C59	P56-K58 VanDerWaalsContact C-N 3.29Å; P56-K58 PolarHBondContact O-N 3.43Å; P56-C59 PolarHBondContact O-N 2.99Å
57	R	89.5	Confident	91.5	Very high	90 Å²	90	67.9 Å²	67.9	34%	0.34	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.7	-32.4	-178.2	-59.9	174.3	-69	178	-1.1	112.2	Q8 P10 D55 C59 L60	Q8-R57 WeakPolarHBondContact O-CD 3.35Å; Q8-R57 PolarHBondContact O-NH1 3.45Å; P10-R57 HydrophobicContact CG-CB 4.1Å; P10-R57 HydrophobicContact CG-CG 3.76Å; D55-R57 PolarHBondContact O-N 3.11Å; D55-R57 VanDerWaalsContact OD1-CB 3.31Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.29Å; D55-R57 IonicContact OD1-CZ 3.51Å; D55-R57 PolarHBondContact OD1-N 3.29Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 PolarHBondContact OD1-NE 3.4Å; D55-R57 IonicContact OD1-NH2 3.02Å; D55-R57 IonicContact OD2-CZ 2.71Å; D55-R57 VanDerWaalsContact OD2-CZ 3.3Å; D55-R57 IonicContact OD2-NE 2.64Å; D55-R57 PolarHBondContact OD2-NE 2.81Å; D55-R57 VanDerWaalsContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.81Å; D55-R57 PolarHBondContact OD2-NH2 3.17Å; R57-C59 VanDerWaalsContact C-N 3.26Å; R57-C59 PolarHBondContact O-N 3.21Å; R57-L60 WeakPolarHBondContact O-CG 3.2Å
58	K	89.3	Confident	91.6	Very high	122 Å²	122	65.1 Å²	65.1	53%	0.53	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-74.4	-20.4	179.7	-64.1	-179.6	-174	168.8	0	112.5	F53 D55 P56	F53-K58 HydrophobicContact CB-CB 4.33Å; F53-K58 HydrophobicContact CB-CD 4.03Å; F53-K58 HydrophobicContact CD1-CB 4.42Å; F53-K58 HydrophobicContact CD1-CD 3.41Å; F53-K58 VanDerWaalsContact CD1-CD 3.41Å; F53-K58 HydrophobicContact CD2-CB 4.24Å; F53-K58 HydrophobicContact CE1-CD 3.95Å; F53-K58 HydrophobicContact CG-CB 4.09Å; F53-K58 HydrophobicContact CG-CD 3.8Å; D55-K58 HydrophobicContact CB-CD 4.29Å; D55-K58 HydrophobicContact CB-CG 4.35Å; D55-K58 PolarHBondContact O-N 3.49Å; P56-K58 VanDerWaalsContact C-N 3.29Å; P56-K58 PolarHBondContact O-N 3.43Å
59	C	92.6	Very high	91.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.007	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-105.4	18.7	-175.5	-55.2	0	0	0	0	113.6	F46 C49 R50 P56 R57 K61 E62 G63	F46-C59 HydrophobicContact CD2-CB 4.33Å; F46-C59 HydrophobicContact CE2-CB 4.26Å; C49-C59 HydrophobicContact CB-CB 3.89Å; C49-C59 WeakPolarHBondContact CB-SG 3.34Å; C49-C59 PolarHBondContact O-SG 3.42Å; C49-C59 VanDerWaalsContact O-SG 3.41Å; C49-C59 WeakPolarHBondContact SG-CA 3.44Å; C49-C59 WeakPolarHBondContact SG-CB 3.37Å; C49-C59 CovalentContact SG-SG 2.04Å; C49-C59 PolarHBondContact SG-SG 3.25Å; R50-C59 PolarHBondContact N-SG 2.91Å; P56-C59 PolarHBondContact O-N 2.99Å; R57-C59 VanDerWaalsContact C-N 3.26Å; R57-C59 PolarHBondContact O-N 3.21Å; C59-K61 VanDerWaalsContact C-N 3.28Å; C59-K61 PolarHBondContact O-N 3.45Å; C59-E62 VanDerWaalsContact C-OE2 3.3Å; C59-E62 VanDerWaalsContact CA-OE2 3.23Å; C59-E62 WeakPolarHBondContact CA-OE2 3.42Å; C59-E62 PolarHBondContact O-N 3.18Å; C59-G63 PolarHBondContact O-N 3.5Å
60	L	93.6	Very high	92.1	Very high	42 Å²	42	63.8 Å²	63.8	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-33.3	-178.5	-72.9	178.5	0	0	0	112.3	P10 L15 R57 G63 R64	P10-L60 HydrophobicContact CB-CD1 3.82Å; P10-L60 HydrophobicContact CG-CD1 3.74Å; L15-L60 HydrophobicContact CD2-CD1 3.98Å; L15-L60 HydrophobicContact CD2-CD2 3.73Å; R57-L60 WeakPolarHBondContact O-CG 3.2Å; L60-G63 PolarHBondContact O-N 2.7Å; L60-R64 VanDerWaalsContact O-CG 3.32Å; L60-R64 WeakPolarHBondContact O-CG 3.41Å; L60-R64 PolarHBondContact O-N 3.2Å
61	K	92.4	Very high	92.3	Very high	126 Å²	126	57 Å²	57	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-50.4	178.8	-177.1	-170.4	171.1	-166.3	0	110.8	C59 G63 R64 D65	C59-K61 VanDerWaalsContact C-N 3.28Å; C59-K61 PolarHBondContact O-N 3.45Å; K61-G63 VanDerWaalsContact C-N 3.26Å; K61-G63 PolarHBondContact O-N 3.34Å; K61-R64 WeakPolarHBondContact O-CB 3.49Å; K61-R64 PolarHBondContact O-N 3.39Å; K61-R64 VanDerWaalsContact O-N 3.11Å; K61-D65 VanDerWaalsContact O-CG 3.31Å; K61-D65 PolarHBondContact O-N 2.88Å
62	E	93.9	Very high	92.7	Very high	30 Å²	30	58.5 Å²	58.5	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-37.4	178.2	-61.8	70.1	-158	0	0	110.1	E45 F46 C49 C59 D65 V66	E45-E62 HydrophobicContact CG-CG 4.01Å; F46-E62 HydrophobicContact CB-CB 3.97Å; F46-E62 HydrophobicContact CD2-CB 4.08Å; C49-E62 HydrophobicContact CB-CG 4.36Å; C59-E62 VanDerWaalsContact C-OE2 3.3Å; C59-E62 VanDerWaalsContact CA-OE2 3.23Å; C59-E62 WeakPolarHBondContact CA-OE2 3.42Å; C59-E62 PolarHBondContact O-N 3.18Å; E62-D65 PolarHBondContact O-N 3.26Å; E62-V66 WeakPolarHBondContact O-CG2 3.29Å; E62-V66 PolarHBondContact O-N 2.88Å
63	G	94.5	Very high	93	Very high	20 Å²	20	56.3 Å²	56.3	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-44.5	172.2	0	0	0	0	0	113	C59 L60 K61 D65 V66 T67	C59-G63 PolarHBondContact O-N 3.5Å; L60-G63 PolarHBondContact O-N 2.7Å; K61-G63 VanDerWaalsContact C-N 3.26Å; K61-G63 PolarHBondContact O-N 3.34Å; G63-D65 VanDerWaalsContact C-N 3.3Å; G63-D65 PolarHBondContact O-N 3.36Å; G63-V66 PolarHBondContact O-N 3.33Å; G63-T67 PolarHBondContact O-N 2.95Å; G63-T67 VanDerWaalsContact O-N 3.08Å; G63-T67 PolarHBondContact O-OG1 3.11Å
64	R	95	Very high	93.5	Very high	81 Å²	81	54.5 Å²	54.5	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-39.5	174.2	-71.6	-171.9	-62.4	-98.9	-1.8	111.8	E14 V17 L60 K61 V66 T67 A68	E14-R64 PolarHBondContact O-NH1 3.42Å; V17-R64 HydrophobicContact CG2-CG 3.9Å; L60-R64 VanDerWaalsContact O-CG 3.32Å; L60-R64 WeakPolarHBondContact O-CG 3.41Å; L60-R64 PolarHBondContact O-N 3.2Å; K61-R64 WeakPolarHBondContact O-CB 3.49Å; K61-R64 PolarHBondContact O-N 3.39Å; K61-R64 VanDerWaalsContact O-N 3.11Å; R64-V66 VanDerWaalsContact C-N 3.35Å; R64-T67 PolarHBondContact O-N 3.32Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 3.21Å
65	D	95.4	Very high	94.1	Very high	75 Å²	75	53.7 Å²	53.7	40%	0.401	27%	0.268	S	S	.	.	H	α-helix	trans	-66.4	-37.9	178.8	-64	-23.2	0	0	0	111.2	V42 K61 E62 G63 A68 C69	V42-D65 VanDerWaalsContact CG1-C 3.5Å; V42-D65 HydrophobicContact CG1-CB 3.59Å; K61-D65 VanDerWaalsContact O-CG 3.31Å; K61-D65 PolarHBondContact O-N 2.88Å; E62-D65 PolarHBondContact O-N 3.26Å; G63-D65 VanDerWaalsContact C-N 3.3Å; G63-D65 PolarHBondContact O-N 3.36Å; D65-A68 PolarHBondContact O-N 3.36Å; D65-C69 WeakPolarHBondContact O-CB 3.48Å; D65-C69 PolarHBondContact O-N 3.27Å
66	V	96.5	Very high	94.5	Very high	41 Å²	41	53.8 Å²	53.8	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-47.4	173	173.2	0	0	0	0	111.1	V42 F46 E62 G63 R64 A68 C69 G70	V42-V66 HydrophobicContact CG1-CG2 3.93Å; F46-V66 HydrophobicContact CB-CG2 3.78Å; F46-V66 HydrophobicContact CG-CG2 4.28Å; E62-V66 WeakPolarHBondContact O-CG2 3.29Å; E62-V66 PolarHBondContact O-N 2.88Å; G63-V66 PolarHBondContact O-N 3.33Å; R64-V66 VanDerWaalsContact C-N 3.35Å; V66-A68 PolarHBondContact O-N 3.3Å; V66-C69 PolarHBondContact O-N 3.32Å; V66-G70 PolarHBondContact O-N 3.44Å
67	T	96.2	Very high	95	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.19	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-44.6	177.5	-59.8	0	0	0	0	111.2	V17 L21 G63 R64 C69 G70 V71	V17-T67 HydrophobicContact CG1-CG2 4Å; L21-T67 HydrophobicContact CG-CG2 4.41Å; G63-T67 PolarHBondContact O-N 2.95Å; G63-T67 VanDerWaalsContact O-N 3.08Å; G63-T67 PolarHBondContact O-OG1 3.11Å; R64-T67 PolarHBondContact O-N 3.32Å; T67-C69 PolarHBondContact O-N 2.82Å; T67-G70 PolarHBondContact O-N 2.89Å; T67-V71 WeakPolarHBondContact O-CG2 3.39Å; T67-V71 PolarHBondContact O-N 3.19Å
68	A	96.4	Very high	95.3	Very high	40 Å²	40	51.9 Å²	51.9	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-45	176.7	0	0	0	0	0	111.9	R64 D65 V66 G70 V71 E72	R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 3.21Å; D65-A68 PolarHBondContact O-N 3.36Å; V66-A68 PolarHBondContact O-N 3.3Å; A68-G70 VanDerWaalsContact C-N 3.33Å; A68-G70 PolarHBondContact O-N 3.11Å; A68-V71 PolarHBondContact O-N 2.88Å; A68-E72 WeakPolarHBondContact O-CG 3.36Å; A68-E72 PolarHBondContact O-N 3.2Å
69	C	97.5	Very high	95.7	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.081	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-41.1	176.2	-177.7	0	0	0	0	112.3	C39 D65 V66 T67 V71 E72 F73	C39-C69 WeakPolarHBondContact CA-SG 3.37Å; C39-C69 HydrophobicContact CB-CB 3.98Å; C39-C69 WeakPolarHBondContact CB-SG 3.42Å; C39-C69 WeakPolarHBondContact SG-CB 3.16Å; C39-C69 CovalentContact SG-SG 2.04Å; C39-C69 PolarHBondContact SG-SG 3.31Å; D65-C69 WeakPolarHBondContact O-CB 3.48Å; D65-C69 PolarHBondContact O-N 3.27Å; V66-C69 PolarHBondContact O-N 3.32Å; T67-C69 PolarHBondContact O-N 2.82Å; C69-V71 PolarHBondContact O-N 3.48Å; C69-E72 PolarHBondContact O-N 3.01Å; C69-F73 WeakPolarHBondContact O-CB 3.42Å; C69-F73 PolarHBondContact O-N 2.92Å
70	G	96.8	Very high	95.8	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-43	174.8	0	0	0	0	0	112.5	V66 T67 A68 F73 L74	V66-G70 PolarHBondContact O-N 3.44Å; T67-G70 PolarHBondContact O-N 2.89Å; A68-G70 VanDerWaalsContact C-N 3.33Å; A68-G70 PolarHBondContact O-N 3.11Å; G70-F73 PolarHBondContact O-N 2.04Å; G70-L74 WeakPolarHBondContact O-CG 3.07Å; G70-L74 PolarHBondContact O-N 3.08Å
71	V	96.9	Very high	96	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.085	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-43.9	177.2	171.5	0	0	0	0	111	Q19 L21 T67 A68 C69 L74 R75	Q19-V71 HydrophobicContact CB-CG1 4.41Å; Q19-V71 HydrophobicContact CB-CG2 4.46Å; Q19-V71 HydrophobicContact CG-CG1 4.01Å; Q19-V71 HydrophobicContact CG-CG2 4.13Å; L21-V71 HydrophobicContact CD2-CG2 3.8Å; L21-V71 HydrophobicContact CG-CG2 4.01Å; T67-V71 WeakPolarHBondContact O-CG2 3.39Å; T67-V71 PolarHBondContact O-N 3.19Å; A68-V71 PolarHBondContact O-N 2.88Å; C69-V71 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 3.16Å; V71-R75 WeakPolarHBondContact O-CB 3.32Å; V71-R75 VanDerWaalsContact O-CG 3.28Å; V71-R75 WeakPolarHBondContact O-CG 3.23Å; V71-R75 PolarHBondContact O-N 3.42Å
72	E	96.4	Very high	96.2	Very high	106 Å²	106	50.5 Å²	50.5	50%	0.495	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.6	-73.2	-179.4	176.8	0	0	111.9	A68 C69 R75 M76	A68-E72 WeakPolarHBondContact O-CG 3.36Å; A68-E72 PolarHBondContact O-N 3.2Å; C69-E72 PolarHBondContact O-N 3.01Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 PolarHBondContact O-N 3.32Å
73	F	96.9	Very high	96.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-49	176.6	176.7	-96.1	0	0	0	112	A31 H34 M35 Y38 C69 G70 R75 M76 V77 M115 M121	A31-F73 HydrophobicContact CB-CE1 3.94Å; H34-F73 HydrophobicContact CB-CE2 3.82Å; H34-F73 HydrophobicContact CB-CZ 3.49Å; H34-F73 VanDerWaalsContact CB-CZ 3.49Å; M35-F73 HydrophobicContact CB-CD1 3.58Å; M35-F73 HydrophobicContact CB-CE1 3.68Å; M35-F73 HydrophobicContact CB-CG 4.06Å; M35-F73 HydrophobicContact CB-CZ 4.22Å; M35-F73 HydrophobicContact CG-CB 4.26Å; M35-F73 HydrophobicContact CG-CD1 3.68Å; M35-F73 HydrophobicContact CG-CE1 4.3Å; M35-F73 HydrophobicContact CG-CG 3.98Å; M35-F73 HydrophobicContact SD-CD1 4.09Å; Y38-F73 HydrophobicContact CD1-CB 3.74Å; Y38-F73 AromaticContact CD1-CD2 3.86Å; Y38-F73 HydrophobicContact CD1-CD2 3.86Å; Y38-F73 HydrophobicContact CD1-CG 4.24Å; Y38-F73 HydrophobicContact CD2-CD2 4.48Å; Y38-F73 HydrophobicContact CE1-CB 4.08Å; Y38-F73 AromaticContact CG-CD2 3.77Å; Y38-F73 HydrophobicContact CG-CD2 3.77Å; C69-F73 WeakPolarHBondContact O-CB 3.42Å; C69-F73 PolarHBondContact O-N 2.92Å; G70-F73 PolarHBondContact O-N 2.04Å; F73-R75 VanDerWaalsContact C-N 3.31Å; F73-R75 PolarHBondContact O-N 2.85Å; F73-M76 HydrophobicContact CD2-CE 3.63Å; F73-M76 HydrophobicContact CE2-CE 3.79Å; F73-M76 WeakPolarHBondContact O-CB 3.42Å; F73-M76 PolarHBondContact O-N 3.26Å; F73-M76 VanDerWaalsContact O-N 3.11Å; F73-V77 HydrophobicContact CD1-CG2 4.16Å; F73-V77 HydrophobicContact CE1-CG2 3.53Å; F73-V77 HydrophobicContact CE2-CG2 4.11Å; F73-V77 HydrophobicContact CZ-CG2 3.5Å; F73-V77 VanDerWaalsContact CZ-CG2 3.5Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 3.47Å; F73-M115 HydrophobicContact CE2-CE 3.83Å; F73-M115 HydrophobicContact CZ-CE 4.11Å; F73-M121 HydrophobicContact CE2-SD 4.28Å
74	L	96.6	Very high	96.5	Very high	26 Å²	26	56 Å²	56	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-32.8	179.7	-69.3	177.7	0	0	0	112.5	L21 V23 A31 G70 V71 M76 V77 K78 F85	L21-L74 HydrophobicContact CD2-CD1 3.5Å; L21-L74 VanDerWaalsContact CD2-CD1 3.5Å; L21-L74 HydrophobicContact CD2-CG 4.47Å; V23-L74 HydrophobicContact CB-CD1 4.46Å; V23-L74 HydrophobicContact CG1-CD1 3.87Å; V23-L74 HydrophobicContact CG2-CD1 3.81Å; A31-L74 HydrophobicContact CB-CD2 4.14Å; G70-L74 WeakPolarHBondContact O-CG 3.07Å; G70-L74 PolarHBondContact O-N 3.08Å; V71-L74 PolarHBondContact O-N 3.16Å; L74-M76 VanDerWaalsContact C-N 3.33Å; L74-V77 PolarHBondContact O-N 2.86Å; L74-K78 VanDerWaalsContact O-CB 3.3Å; L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 PolarHBondContact O-N 3.18Å; L74-F85 HydrophobicContact CD2-CZ 4.45Å
75	R	96.1	Very high	96.7	Very high	140 Å²	140	52.8 Å²	52.8	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-40.4	170.9	-75.5	171.9	175.8	173.5	0.7	111.6	V71 E72 F73 K78 K79	V71-R75 WeakPolarHBondContact O-CB 3.32Å; V71-R75 VanDerWaalsContact O-CG 3.28Å; V71-R75 WeakPolarHBondContact O-CG 3.23Å; V71-R75 PolarHBondContact O-N 3.42Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.45Å; F73-R75 VanDerWaalsContact C-N 3.31Å; F73-R75 PolarHBondContact O-N 2.85Å; R75-K78 PolarHBondContact O-N 2.78Å; R75-K79 VanDerWaalsContact O-CG 3.31Å; R75-K79 WeakPolarHBondContact O-CG 3.34Å; R75-K79 PolarHBondContact O-N 2.88Å; R75-K79 VanDerWaalsContact O-N 3.16Å
76	M	95.9	Very high	96.8	Very high	30 Å²	30	51.7 Å²	51.7	15%	0.148	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-46.5	175.8	-177.7	-175.5	71	0	0	111.2	Y38 E72 F73 L74 K78 K79 A80 M115 Y119 M121	Y38-M76 HydrophobicContact CD2-CE 4.31Å; Y38-M76 HydrophobicContact CE2-CE 4.33Å; Y38-M76 HydrophobicContact CE2-SD 4.31Å; E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 PolarHBondContact O-N 3.32Å; F73-M76 HydrophobicContact CD2-CE 3.63Å; F73-M76 HydrophobicContact CE2-CE 3.79Å; F73-M76 WeakPolarHBondContact O-CB 3.42Å; F73-M76 PolarHBondContact O-N 3.26Å; F73-M76 VanDerWaalsContact O-N 3.11Å; L74-M76 VanDerWaalsContact C-N 3.33Å; M76-K78 PolarHBondContact O-N 3.46Å; M76-K79 PolarHBondContact O-N 2.88Å; M76-A80 PolarHBondContact O-N 3.34Å; M76-M115 HydrophobicContact CE-CE 3.88Å; M76-Y119 HydrophobicContact CE-CD2 4.3Å; M76-Y119 HydrophobicContact CE-CE2 4.5Å; M76-Y119 HydrophobicContact CE-CG 4.45Å; M76-Y119 HydrophobicContact CG-CD1 3.98Å; M76-Y119 HydrophobicContact CG-CD2 4.1Å; M76-Y119 HydrophobicContact CG-CE1 3.39Å; M76-Y119 HydrophobicContact CG-CE2 3.51Å; M76-Y119 HydrophobicContact CG-CG 4.3Å; M76-Y119 VanDerWaalsContact CG-OH 3.26Å; M76-Y119 WeakPolarHBondContact CG-OH 3.46Å; M76-Y119 PolarHBondContact O-OH 3.32Å; M76-Y119 HydrophobicContact SD-CD1 3.77Å; M76-Y119 HydrophobicContact SD-CD2 4.19Å; M76-Y119 HydrophobicContact SD-CE1 3.82Å; M76-Y119 HydrophobicContact SD-CE2 4.2Å; M76-Y119 HydrophobicContact SD-CG 3.97Å; M76-M121 HydrophobicContact CE-CE 4.18Å
77	V	96.9	Very high	96.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-46.2	174.6	172.5	0	0	0	0	111.1	F73 L74 K79 A80 C81 I82 F85 F111 M115	F73-V77 HydrophobicContact CD1-CG2 4.16Å; F73-V77 HydrophobicContact CE1-CG2 3.53Å; F73-V77 HydrophobicContact CE2-CG2 4.11Å; F73-V77 HydrophobicContact CZ-CG2 3.5Å; F73-V77 VanDerWaalsContact CZ-CG2 3.5Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 3.47Å; L74-V77 PolarHBondContact O-N 2.86Å; V77-K79 PolarHBondContact O-N 3.49Å; V77-A80 PolarHBondContact O-N 3.08Å; V77-C81 CarbonylContact O-C 3.43Å; V77-C81 WeakPolarHBondContact O-CA 3.5Å; V77-C81 PolarHBondContact O-N 3.02Å; V77-I82 PolarHBondContact O-N 2.89Å; V77-F85 HydrophobicContact CG1-CB 3.71Å; V77-F85 HydrophobicContact CG1-CD1 4.2Å; V77-F85 HydrophobicContact CG1-CD2 3.86Å; V77-F85 HydrophobicContact CG1-CG 3.65Å; V77-F111 HydrophobicContact CG1-CE2 3.92Å; V77-F111 HydrophobicContact CG1-CZ 4.26Å; V77-F111 HydrophobicContact CG2-CE2 4.48Å; V77-F111 HydrophobicContact CG2-CZ 4.25Å; V77-M115 HydrophobicContact CG2-CE 4.32Å; V77-M115 HydrophobicContact CG2-SD 3.99Å
78	K	95.9	Very high	96.9	Very high	148 Å²	148	55.5 Å²	55.5	64%	0.643	26%	0.26	S	S	*	.	H	α-helix	trans	-60.3	-31.1	179.6	-175.3	174.9	-178.8	177.2	0	113.4	L74 R75 M76 I82	L74-K78 VanDerWaalsContact O-CB 3.3Å; L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 PolarHBondContact O-N 3.18Å; R75-K78 PolarHBondContact O-N 2.78Å; M76-K78 PolarHBondContact O-N 3.46Å; K78-I82 HydrophobicContact CB-CD1 4.47Å; K78-I82 HydrophobicContact CG-CD1 4.22Å; K78-I82 HydrophobicContact CG-CG1 4.5Å
79	K	96.9	Very high	96.9	Very high	179 Å²	179	55.2 Å²	55.2	78%	0.778	25%	0.252	S	S	*	.	H	α-helix	trans	-75.2	-33	-178.6	-76.9	173.6	-179.1	-177.1	0	113.8	R75 M76 V77	R75-K79 VanDerWaalsContact O-CG 3.31Å; R75-K79 WeakPolarHBondContact O-CG 3.34Å; R75-K79 PolarHBondContact O-N 2.88Å; R75-K79 VanDerWaalsContact O-N 3.16Å; M76-K79 PolarHBondContact O-N 2.88Å; V77-K79 PolarHBondContact O-N 3.49Å
80	A	95.4	Very high	96.9	Very high	28 Å²	28	58.7 Å²	58.7	23%	0.231	27%	0.27	C	S	.	.	H	α-helix	trans	-121.1	-35.1	-170.3	0	0	0	0	0	114.4	M76 V77 H118 Y119	M76-A80 PolarHBondContact O-N 3.34Å; V77-A80 PolarHBondContact O-N 3.08Å; A80-H118 HydrophobicContact CB-CB 4.01Å; A80-Y119 HydrophobicContact CB-CE2 3.7Å; A80-Y119 WeakPolarHBondContact CB-OH 3.41Å
81	C	97.2	Very high	97	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-126.4	28.6	-167.6	-63.8	0	0	0	0	113	V77 E83 E84 F85 F111 C114 M115	V77-C81 CarbonylContact O-C 3.43Å; V77-C81 WeakPolarHBondContact O-CA 3.5Å; V77-C81 PolarHBondContact O-N 3.02Å; C81-E83 PolarHBondContact O-N 3.48Å; C81-E84 WeakPolarHBondContact CA-OE2 2.89Å; C81-F85 WeakPolarHBondContact O-CB 3.23Å; C81-F85 PolarHBondContact O-N 3.38Å; C81-F111 HydrophobicContact CB-CD2 4.3Å; C81-F111 HydrophobicContact CB-CE2 4.1Å; C81-C114 WeakPolarHBondContact CA-SG 3.35Å; C81-C114 HydrophobicContact CB-CB 3.9Å; C81-C114 WeakPolarHBondContact CB-SG 3.49Å; C81-C114 WeakPolarHBondContact SG-CB 2.85Å; C81-C114 CovalentContact SG-SG 2.04Å; C81-C114 PolarHBondContact SG-SG 2.95Å; C81-M115 HydrophobicContact CB-SD 4.43Å
82	I	97.3	Very high	97	Very high	55 Å²	55	59.2 Å²	59.2	28%	0.282	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-38.7	-173	-172.4	55.7	0	0	0	112.5	V77 K78 N86	V77-I82 PolarHBondContact O-N 2.89Å; K78-I82 HydrophobicContact CB-CD1 4.47Å; K78-I82 HydrophobicContact CG-CD1 4.22Å; K78-I82 HydrophobicContact CG-CG1 4.5Å; I82-N86 VanDerWaalsContact O-CB 3.28Å; I82-N86 WeakPolarHBondContact O-CB 2.99Å; I82-N86 PolarHBondContact O-N 2.99Å; I82-N86 PolarHBondContact O-ND2 3.41Å
83	E	97.6	Very high	97	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-70.1	-45.9	-177.5	-65.8	-56.3	144.9	0	0	111.6	C81 F85 N86 R87	C81-E83 PolarHBondContact O-N 3.48Å; E83-F85 VanDerWaalsContact C-N 3.35Å; E83-N86 PolarHBondContact O-N 3.38Å; E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.34Å; E83-R87 PolarHBondContact O-N 3.26Å
84	E	97.5	Very high	96.9	Very high	54 Å²	54	63.8 Å²	63.8	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177	-61.7	76	-167.3	0	0	110.9	C81 R87 Y88 I110 F111 C114	C81-E84 WeakPolarHBondContact CA-OE2 2.89Å; E84-R87 PolarHBondContact O-N 2.76Å; E84-Y88 PolarHBondContact O-N 3.24Å; E84-I110 HydrophobicContact CB-CG2 4.12Å; E84-I110 HydrophobicContact CG-CG2 3.62Å; E84-F111 HydrophobicContact CB-CB 4.35Å; E84-F111 HydrophobicContact CB-CD2 4.4Å; E84-C114 HydrophobicContact CB-CB 4.34Å; E84-C114 HydrophobicContact CG-CB 4.03Å
85	F	98	Very high	96.8	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-47	176.4	-176.9	-102.9	0	0	0	111.5	A27 A30 A31 L74 V77 C81 E83 R87 Y88 M89 F111	A27-F85 HydrophobicContact CB-CE1 4.27Å; A27-F85 HydrophobicContact CB-CZ 4.2Å; A27-F85 WeakPolarHBondContact O-CZ 3.37Å; A30-F85 HydrophobicContact CB-CE2 3.94Å; A30-F85 HydrophobicContact CB-CZ 4.3Å; A31-F85 HydrophobicContact CB-CE2 3.99Å; A31-F85 HydrophobicContact CB-CZ 4.21Å; L74-F85 HydrophobicContact CD2-CZ 4.45Å; V77-F85 HydrophobicContact CG1-CB 3.71Å; V77-F85 HydrophobicContact CG1-CD1 4.2Å; V77-F85 HydrophobicContact CG1-CD2 3.86Å; V77-F85 HydrophobicContact CG1-CG 3.65Å; C81-F85 WeakPolarHBondContact O-CB 3.23Å; C81-F85 PolarHBondContact O-N 3.38Å; E83-F85 VanDerWaalsContact C-N 3.35Å; F85-R87 PolarHBondContact O-N 3.45Å; F85-Y88 PolarHBondContact O-N 3.41Å; F85-Y88 VanDerWaalsContact O-N 3.14Å; F85-M89 HydrophobicContact CE1-SD 4.37Å; F85-M89 VanDerWaalsContact O-CB 3.32Å; F85-M89 WeakPolarHBondContact O-CB 3.44Å; F85-M89 PolarHBondContact O-N 2.74Å; F85-F111 HydrophobicContact CB-CD2 3.97Å; F85-F111 HydrophobicContact CB-CE2 3.88Å; F85-F111 HydrophobicContact CD2-CD1 4.49Å; F85-F111 HydrophobicContact CD2-CD2 4.2Å; F85-F111 AromaticContact CD2-CE1 3.99Å; F85-F111 HydrophobicContact CD2-CE1 3.99Å; F85-F111 AromaticContact CD2-CE2 3.71Å; F85-F111 HydrophobicContact CD2-CE2 3.71Å; F85-F111 AromaticContact CD2-CZ 3.59Å; F85-F111 HydrophobicContact CD2-CZ 3.59Å; F85-F111 HydrophobicContact CE2-CE1 4.48Å; F85-F111 HydrophobicContact CE2-CZ 4.27Å; F85-F111 HydrophobicContact CG-CE2 4.26Å
86	N	97.4	Very high	96.6	Very high	53 Å²	53	59.3 Å²	59.3	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-42.2	178.3	-75.5	-19.2	0	0	0	111.8	I82 E83 Y88 M89 N90	I82-N86 VanDerWaalsContact O-CB 3.28Å; I82-N86 WeakPolarHBondContact O-CB 2.99Å; I82-N86 PolarHBondContact O-N 2.99Å; I82-N86 PolarHBondContact O-ND2 3.41Å; E83-N86 PolarHBondContact O-N 3.38Å; N86-Y88 VanDerWaalsContact C-N 3.3Å; N86-Y88 PolarHBondContact O-N 3.35Å; N86-M89 PolarHBondContact O-N 2.79Å; N86-N90 VanDerWaalsContact O-CB 3.26Å; N86-N90 WeakPolarHBondContact O-CB 3.45Å; N86-N90 PolarHBondContact O-N 3.45Å; N86-N90 PolarHBondContact O-ND2 3.48Å; N86-N90 PolarHBondContact O-OD1 2.99Å
87	R	97.5	Very high	96.4	Very high	150 Å²	150	62.1 Å²	62.1	57%	0.566	34%	0.338	S	S	*	.	H	α-helix	trans	-60.9	-40.2	174.3	-72.1	174.4	-172.9	-178.1	4	112.1	E83 E84 F85 C91	E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.34Å; E83-R87 PolarHBondContact O-N 3.26Å; E84-R87 PolarHBondContact O-N 2.76Å; F85-R87 PolarHBondContact O-N 3.45Å; R87-C91 PolarHBondContact O-N 3.2Å
88	Y	97.9	Very high	96.3	Very high	1 Å²	1	68.8 Å²	68.8	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-49.5	177.3	179.8	-145.8	0	0	0	111.8	A30 E84 F85 N86 N90 C91 V92 L101 C104 Q108 F111	A30-Y88 HydrophobicContact CB-CD1 3.69Å; A30-Y88 HydrophobicContact CB-CE1 3.75Å; A30-Y88 HydrophobicContact CB-CG 4.34Å; A30-Y88 WeakPolarHBondContact O-CE1 3.38Å; E84-Y88 PolarHBondContact O-N 3.24Å; F85-Y88 PolarHBondContact O-N 3.41Å; F85-Y88 VanDerWaalsContact O-N 3.14Å; N86-Y88 VanDerWaalsContact C-N 3.3Å; N86-Y88 PolarHBondContact O-N 3.35Å; Y88-N90 PolarHBondContact O-N 3.4Å; Y88-C91 WeakPolarHBondContact O-CB 3.28Å; Y88-C91 PolarHBondContact O-N 3.46Å; Y88-C91 VanDerWaalsContact O-N 3.16Å; Y88-V92 HydrophobicContact CD2-CG2 3.86Å; Y88-V92 HydrophobicContact CE2-CG2 3.47Å; Y88-V92 VanDerWaalsContact CE2-CG2 3.47Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 2.9Å; Y88-L101 WeakPolarHBondContact OH-CD2 3.37Å; Y88-C104 HydrophobicContact CD2-CB 4.04Å; Y88-C104 HydrophobicContact CE2-CB 3.78Å; Y88-Q108 HydrophobicContact CD2-CB 4Å; Y88-Q108 HydrophobicContact CE1-CB 4.3Å; Y88-Q108 HydrophobicContact CE1-CG 3.99Å; Y88-Q108 HydrophobicContact CE2-CB 3.6Å; Y88-Q108 HydrophobicContact CE2-CG 4.04Å; Y88-F111 HydrophobicContact CD1-CB 4.29Å; Y88-F111 AromaticContact CD1-CD1 3.81Å; Y88-F111 HydrophobicContact CD1-CD1 3.81Å; Y88-F111 HydrophobicContact CD1-CG 4.31Å; Y88-F111 HydrophobicContact CE1-CD1 4.3Å
89	M	97	Very high	96.2	Very high	34 Å²	34	63.6 Å²	63.6	17%	0.167	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-48.6	176.6	-179.9	-168.8	76	0	0	111.8	P26 A27 A30 F85 N86 C91 V92 D93	P26-M89 HydrophobicContact CB-CG 4.07Å; A27-M89 HydrophobicContact CB-CG 4.2Å; A27-M89 HydrophobicContact CB-SD 3.62Å; A30-M89 HydrophobicContact CB-CB 4.39Å; F85-M89 HydrophobicContact CE1-SD 4.37Å; F85-M89 VanDerWaalsContact O-CB 3.32Å; F85-M89 WeakPolarHBondContact O-CB 3.44Å; F85-M89 PolarHBondContact O-N 2.74Å; N86-M89 PolarHBondContact O-N 2.79Å; M89-C91 VanDerWaalsContact C-N 3.3Å; M89-C91 PolarHBondContact O-N 2.85Å; M89-V92 PolarHBondContact O-N 3.32Å; M89-V92 VanDerWaalsContact O-N 3.09Å; M89-D93 PolarHBondContact O-N 3.41Å
90	N	97.1	Very high	96.1	Very high	85 Å²	85	60.1 Å²	60.1	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-37.3	179.1	-69.3	-13.2	0	0	0	112	N86 Y88 T94	N86-N90 VanDerWaalsContact O-CB 3.26Å; N86-N90 WeakPolarHBondContact O-CB 3.45Å; N86-N90 PolarHBondContact O-N 3.45Å; N86-N90 PolarHBondContact O-ND2 3.48Å; N86-N90 PolarHBondContact O-OD1 2.99Å; Y88-N90 PolarHBondContact O-N 3.4Å; N90-T94 WeakPolarHBondContact O-CB 3.06Å; N90-T94 WeakPolarHBondContact O-CG2 3.26Å; N90-T94 PolarHBondContact O-N 3.2Å; N90-T94 VanDerWaalsContact O-N 3.08Å; N90-T94 PolarHBondContact O-OG1 2.98Å
91	C	98	Very high	96	Very high	29 Å²	29	59.4 Å²	59.4	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-47.6	171.9	-178.5	0	0	0	0	111	R87 Y88 M89 D93 T94 A95 C104 T107	R87-C91 PolarHBondContact O-N 3.2Å; Y88-C91 WeakPolarHBondContact O-CB 3.28Å; Y88-C91 PolarHBondContact O-N 3.46Å; Y88-C91 VanDerWaalsContact O-N 3.16Å; M89-C91 VanDerWaalsContact C-N 3.3Å; M89-C91 PolarHBondContact O-N 2.85Å; C91-D93 VanDerWaalsContact C-N 3.26Å; C91-D93 PolarHBondContact O-N 3.27Å; C91-T94 PolarHBondContact O-N 3.11Å; C91-T94 PolarHBondContact O-OG1 3.44Å; C91-A95 WeakPolarHBondContact O-CB 3.44Å; C91-A95 PolarHBondContact O-N 3.39Å; C91-C104 HydrophobicContact CB-CB 3.86Å; C91-C104 WeakPolarHBondContact CB-SG 3.3Å; C91-C104 PolarHBondContact O-SG 3.27Å; C91-C104 WeakPolarHBondContact SG-CA 3.4Å; C91-C104 WeakPolarHBondContact SG-CB 3.28Å; C91-C104 CovalentContact SG-SG 2.04Å; C91-C104 PolarHBondContact SG-SG 2.65Å; C91-T107 HydrophobicContact CB-CG2 4.29Å
92	V	97	Very high	95.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-38.2	-179	172.7	0	0	0	0	111.6	R29 Y88 M89 L99 L101 C104	R29-V92 HydrophobicContact CB-CG1 4.31Å; R29-V92 HydrophobicContact CG-CG1 4.28Å; Y88-V92 HydrophobicContact CD2-CG2 3.86Å; Y88-V92 HydrophobicContact CE2-CG2 3.47Å; Y88-V92 VanDerWaalsContact CE2-CG2 3.47Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 2.9Å; M89-V92 PolarHBondContact O-N 3.32Å; M89-V92 VanDerWaalsContact O-N 3.09Å; V92-L99 HydrophobicContact CG1-CB 4.08Å; V92-L99 HydrophobicContact CG1-CD2 4.36Å; V92-L99 WeakPolarHBondContact O-CD2 3.23Å; V92-L101 HydrophobicContact CB-CD2 4.38Å; V92-L101 HydrophobicContact CG1-CD2 3.86Å; V92-L101 HydrophobicContact CG2-CD2 3.52Å; V92-C104 HydrophobicContact CG2-CB 4.2Å; V92-C104 PolarHBondContact N-SG 2.59Å; V92-C104 VanDerWaalsContact N-SG 3.39Å
93	D	96.5	Very high	95.8	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-66.7	-44.9	178.1	-167	40.3	0	0	0	112.4	P26 M89 C91	P26-D93 HydrophobicContact CB-CB 3.88Å; P26-D93 HydrophobicContact CG-CB 3.84Å; P26-D93 WeakPolarHBondContact CG-OD1 3.31Å; M89-D93 PolarHBondContact O-N 3.41Å; C91-D93 VanDerWaalsContact C-N 3.26Å; C91-D93 PolarHBondContact O-N 3.27Å
94	T	96	Very high	95.8	Very high	113 Å²	113	58.2 Å²	58.2	69%	0.693	34%	0.336	S	S	*	.	H	α-helix	trans	-89.3	-27.1	-172.6	56.4	0	0	0	0	115.1	N90 C91 S96	N90-T94 WeakPolarHBondContact O-CB 3.06Å; N90-T94 WeakPolarHBondContact O-CG2 3.26Å; N90-T94 PolarHBondContact O-N 3.2Å; N90-T94 VanDerWaalsContact O-N 3.08Å; N90-T94 PolarHBondContact O-OG1 2.98Å; C91-T94 PolarHBondContact O-N 3.11Å; C91-T94 PolarHBondContact O-OG1 3.44Å; T94-S96 PolarHBondContact O-N 3.27Å
95	A	93.7	Very high	95.7	Very high	46 Å²	46	61.3 Å²	61.3	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-75.8	-21.6	-168	0	0	0	0	0	114.2	C91 P103	C91-A95 WeakPolarHBondContact O-CB 3.44Å; C91-A95 PolarHBondContact O-N 3.39Å; A95-P103 HydrophobicContact CB-CB 3.85Å; A95-P103 HydrophobicContact CB-CG 3.48Å; A95-P103 VanDerWaalsContact CB-CG 3.48Å
96	S	92.4	Very high	95.6	Very high	26 Å²	26	69.4 Å²	69.4	18%	0.182	38%	0.381	C	S	.	.			trans	-160.8	143.2	177.6	63.6	0	0	0	0	110.9	T94 E98 L99 F100	T94-S96 PolarHBondContact O-N 3.27Å; S96-E98 PolarHBondContact O-N 2.93Å; S96-E98 VanDerWaalsContact O-N 3.15Å; S96-L99 PolarHBondContact O-N 3.35Å; S96-L99 VanDerWaalsContact O-N 3.1Å; S96-L99 PolarHBondContact OG-N 2.97Å; S96-F100 PolarHBondContact OG-N 2.78Å
97	G	92	Very high	95.6	Very high	89 Å²	89	68.4 Å²	68.4	92%	0.918	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20	174.9	0	0	0	0	0	114.6
98	E	93.7	Very high	95.6	Very high	142 Å²	142	62 Å²	62	66%	0.664	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	9	178.3	-63.2	-175	-165.6	0	0	113.7	S96 F100	S96-E98 PolarHBondContact O-N 2.93Å; S96-E98 VanDerWaalsContact O-N 3.15Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 HydrophobicContact CB-CD2 4.09Å; E98-F100 HydrophobicContact CB-CE1 4.36Å; E98-F100 HydrophobicContact CB-CE2 3.79Å; E98-F100 HydrophobicContact CB-CZ 3.96Å; E98-F100 HydrophobicContact CG-CE2 4.34Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-F100 WeakPolarHBondContact OE2-CE2 3.21Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.44Å
99	L	94.2	Very high	95.6	Very high	38 Å²	38	71.4 Å²	71.4	20%	0.199	39%	0.388	C	S	.	.			trans	55.6	40.9	180	-53.9	175.8	0	0	0	113.4	P26 R29 V92 S96	P26-L99 HydrophobicContact CB-CD2 4.33Å; P26-L99 HydrophobicContact CG-CD1 4.34Å; P26-L99 HydrophobicContact CG-CD2 3.93Å; R29-L99 HydrophobicContact CG-CB 4.46Å; V92-L99 HydrophobicContact CG1-CB 4.08Å; V92-L99 HydrophobicContact CG1-CD2 4.36Å; V92-L99 WeakPolarHBondContact O-CD2 3.23Å; S96-L99 PolarHBondContact O-N 3.35Å; S96-L99 VanDerWaalsContact O-N 3.1Å; S96-L99 PolarHBondContact OG-N 2.97Å
100	F	94.6	Very high	95.6	Very high	106 Å²	106	73.7 Å²	73.7	47%	0.465	40%	0.4	S	S	.	.			trans	-66.1	138.9	174.5	-70.4	-50.4	0	0	0	112	S96 E98 P103	S96-F100 PolarHBondContact OG-N 2.78Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 HydrophobicContact CB-CD2 4.09Å; E98-F100 HydrophobicContact CB-CE1 4.36Å; E98-F100 HydrophobicContact CB-CE2 3.79Å; E98-F100 HydrophobicContact CB-CZ 3.96Å; E98-F100 HydrophobicContact CG-CE2 4.34Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-F100 WeakPolarHBondContact OE2-CE2 3.21Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.44Å; F100-P103 WeakPolarHBondContact O-CD 3.49Å
101	L	94.2	Very high	95.6	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.073	38%	0.379	C	S	.	.	S	Bend	trans	-88.4	-17	-179.6	-57.6	-179.1	0	0	0	113.2	R29 Y33 Y88 V92 C104	R29-L101 HydrophobicContact CG-CD2 3.89Å; R29-L101 HydrophobicContact CG-CG 4.39Å; Y33-L101 HydrophobicContact CD2-CD1 4.3Å; Y33-L101 HydrophobicContact CE2-CD1 3.5Å; Y33-L101 VanDerWaalsContact CE2-CD1 3.5Å; Y88-L101 WeakPolarHBondContact OH-CD2 3.37Å; V92-L101 HydrophobicContact CB-CD2 4.38Å; V92-L101 HydrophobicContact CG1-CD2 3.86Å; V92-L101 HydrophobicContact CG2-CD2 3.52Å; L101-C104 PolarHBondContact O-N 3.22Å
102	A	94.3	Very high	95.6	Very high	65 Å²	65	69.4 Å²	69.4	54%	0.537	38%	0.376	S	S	.	.	S	Bend	trans	-57.1	-44.4	-179.3	0	0	0	0	0	114.8	C104 R105	A102-C104 PolarHBondContact O-N 2.7Å; A102-R105 WeakPolarHBondContact O-CG 3.06Å
103	P	95.2	Very high	95.6	Very high	74 Å²	74	76.2 Å²	76.2	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.1	178.2	25.7	-34.7	0	0	0	113.1	A95 F100 R105	A95-P103 HydrophobicContact CB-CB 3.85Å; A95-P103 HydrophobicContact CB-CG 3.48Å; A95-P103 VanDerWaalsContact CB-CG 3.48Å; F100-P103 WeakPolarHBondContact O-CD 3.49Å; P103-R105 PolarHBondContact O-N 3.34Å
104	C	97	Very high	95.7	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.007	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	20.9	-171	-63.1	0	0	0	0	114.6	Y88 C91 V92 L101 A102 K106 T107 Q108	Y88-C104 HydrophobicContact CD2-CB 4.04Å; Y88-C104 HydrophobicContact CE2-CB 3.78Å; C91-C104 HydrophobicContact CB-CB 3.86Å; C91-C104 WeakPolarHBondContact CB-SG 3.3Å; C91-C104 PolarHBondContact O-SG 3.27Å; C91-C104 WeakPolarHBondContact SG-CA 3.4Å; C91-C104 WeakPolarHBondContact SG-CB 3.28Å; C91-C104 CovalentContact SG-SG 2.04Å; C91-C104 PolarHBondContact SG-SG 2.65Å; V92-C104 HydrophobicContact CG2-CB 4.2Å; V92-C104 PolarHBondContact N-SG 2.59Å; V92-C104 VanDerWaalsContact N-SG 3.39Å; L101-C104 PolarHBondContact O-N 3.22Å; A102-C104 PolarHBondContact O-N 2.7Å; C104-K106 PolarHBondContact O-N 3.08Å; C104-T107 PolarHBondContact O-N 2.92Å; C104-T107 PolarHBondContact O-OG1 3.47Å; C104-T107 VanDerWaalsContact O-OG1 3.12Å; C104-Q108 WeakPolarHBondContact O-CB 3.01Å; C104-Q108 PolarHBondContact O-N 3.13Å
105	R	95.8	Very high	95.8	Very high	120 Å²	120	67 Å²	67	45%	0.453	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-29.3	-179.2	-61.1	-47.4	-178.6	-177.3	-2.8	113.8	A102 P103 Q108 R109	A102-R105 WeakPolarHBondContact O-CG 3.06Å; P103-R105 PolarHBondContact O-N 3.34Å; R105-Q108 VanDerWaalsContact CD-OE1 3.24Å; R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 PolarHBondContact O-N 3.3Å
106	K	97	Very high	96	Very high	183 Å²	183	68.6 Å²	68.6	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-67	-51.4	178.5	-67.4	-177.9	-179.2	177.8	0	111.7	C104 R109 I110	C104-K106 PolarHBondContact O-N 3.08Å; K106-R109 PolarHBondContact O-N 3.46Å; K106-I110 PolarHBondContact O-N 3.31Å
107	T	97.4	Very high	96.2	Very high	31 Å²	31	71.5 Å²	71.5	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-70.6	-35.8	177.4	50.6	0	0	0	0	111.6	C91 C104 R109 I110 F111	C91-T107 HydrophobicContact CB-CG2 4.29Å; C104-T107 PolarHBondContact O-N 2.92Å; C104-T107 PolarHBondContact O-OG1 3.47Å; C104-T107 VanDerWaalsContact O-OG1 3.12Å; T107-R109 PolarHBondContact O-N 2.95Å; T107-I110 PolarHBondContact O-N 3.07Å; T107-F111 PolarHBondContact O-N 3.35Å; T107-F111 VanDerWaalsContact O-N 3.11Å
108	Q	96.7	Very high	96.5	Very high	16 Å²	16	72.9 Å²	72.9	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-55.9	-47.1	171.8	-170.9	-154.5	-62.5	0	0	111.9	Y88 C104 R105 I110 F111 D112	Y88-Q108 HydrophobicContact CD2-CB 4Å; Y88-Q108 HydrophobicContact CE1-CB 4.3Å; Y88-Q108 HydrophobicContact CE1-CG 3.99Å; Y88-Q108 HydrophobicContact CE2-CB 3.6Å; Y88-Q108 HydrophobicContact CE2-CG 4.04Å; C104-Q108 WeakPolarHBondContact O-CB 3.01Å; C104-Q108 PolarHBondContact O-N 3.13Å; R105-Q108 VanDerWaalsContact CD-OE1 3.24Å; Q108-I110 VanDerWaalsContact C-N 3.25Å; Q108-I110 PolarHBondContact O-N 3.44Å; Q108-F111 PolarHBondContact O-N 3.45Å; Q108-F111 VanDerWaalsContact O-N 3.17Å; Q108-D112 WeakPolarHBondContact CG-OD2 3.35Å; Q108-D112 PolarHBondContact NE2-OD2 2.93Å; Q108-D112 WeakPolarHBondContact O-CB 3.44Å; Q108-D112 PolarHBondContact O-N 3.49Å
109	R	96.9	Very high	96.6	Very high	199 Å²	199	70.1 Å²	70.1	75%	0.751	33%	0.327	S	S	*	.	H	α-helix	trans	-59.8	-36.3	179.8	-177.2	178.5	179.3	-179.3	0.4	112.4	R105 K106 T107 R113	R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 PolarHBondContact O-N 3.3Å; K106-R109 PolarHBondContact O-N 3.46Å; T107-R109 PolarHBondContact O-N 2.95Å; R109-R113 WeakPolarHBondContact O-CB 3.31Å; R109-R113 PolarHBondContact O-N 3.32Å
110	I	97.6	Very high	96.7	Very high	82 Å²	82	70.9 Å²	70.9	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-47	177.3	-61.9	169.5	0	0	0	109.8	E84 K106 T107 Q108 R113 C114	E84-I110 HydrophobicContact CB-CG2 4.12Å; E84-I110 HydrophobicContact CG-CG2 3.62Å; K106-I110 PolarHBondContact O-N 3.31Å; T107-I110 PolarHBondContact O-N 3.07Å; Q108-I110 VanDerWaalsContact C-N 3.25Å; Q108-I110 PolarHBondContact O-N 3.44Å; I110-R113 PolarHBondContact O-N 2.72Å; I110-C114 PolarHBondContact O-N 3.41Å
111	F	98	Very high	96.7	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-45.4	176.3	176	-121	0	0	0	112.5	H34 V77 C81 E84 F85 Y88 T107 Q108 R113 C114 M115	H34-F111 AromaticContact CD2-CE1 3.57Å; V77-F111 HydrophobicContact CG1-CE2 3.92Å; V77-F111 HydrophobicContact CG1-CZ 4.26Å; V77-F111 HydrophobicContact CG2-CE2 4.48Å; V77-F111 HydrophobicContact CG2-CZ 4.25Å; C81-F111 HydrophobicContact CB-CD2 4.3Å; C81-F111 HydrophobicContact CB-CE2 4.1Å; E84-F111 HydrophobicContact CB-CB 4.35Å; E84-F111 HydrophobicContact CB-CD2 4.4Å; F85-F111 HydrophobicContact CB-CD2 3.97Å; F85-F111 HydrophobicContact CB-CE2 3.88Å; F85-F111 HydrophobicContact CD2-CD1 4.49Å; F85-F111 HydrophobicContact CD2-CD2 4.2Å; F85-F111 AromaticContact CD2-CE1 3.99Å; F85-F111 HydrophobicContact CD2-CE1 3.99Å; F85-F111 AromaticContact CD2-CE2 3.71Å; F85-F111 HydrophobicContact CD2-CE2 3.71Å; F85-F111 AromaticContact CD2-CZ 3.59Å; F85-F111 HydrophobicContact CD2-CZ 3.59Å; F85-F111 HydrophobicContact CE2-CE1 4.48Å; F85-F111 HydrophobicContact CE2-CZ 4.27Å; F85-F111 HydrophobicContact CG-CE2 4.26Å; Y88-F111 HydrophobicContact CD1-CB 4.29Å; Y88-F111 AromaticContact CD1-CD1 3.81Å; Y88-F111 HydrophobicContact CD1-CD1 3.81Å; Y88-F111 HydrophobicContact CD1-CG 4.31Å; Y88-F111 HydrophobicContact CE1-CD1 4.3Å; T107-F111 PolarHBondContact O-N 3.35Å; T107-F111 VanDerWaalsContact O-N 3.11Å; Q108-F111 PolarHBondContact O-N 3.45Å; Q108-F111 VanDerWaalsContact O-N 3.17Å; F111-R113 PolarHBondContact O-N 2.04Å; F111-C114 PolarHBondContact O-N 3.32Å; F111-C114 VanDerWaalsContact O-N 3.14Å; F111-M115 HydrophobicContact CD2-CG 4.2Å; F111-M115 HydrophobicContact CE1-CG 4.23Å; F111-M115 HydrophobicContact CE2-CG 3.66Å; F111-M115 HydrophobicContact CE2-SD 3.77Å; F111-M115 HydrophobicContact CZ-CG 3.68Å; F111-M115 HydrophobicContact CZ-SD 3.87Å; F111-M115 WeakPolarHBondContact O-CG 3.3Å; F111-M115 PolarHBondContact O-N 3.06Å
112	D	97.5	Very high	96.7	Very high	24 Å²	24	72 Å²	72	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-38.7	176.1	-68.5	-31.3	0	0	0	111.1	H34 Q108 F116 R123	H34-D112 IonicContact CD2-OD1 3.77Å; H34-D112 IonicContact CE1-OD1 2.59Å; H34-D112 IonicContact NE2-OD1 3.51Å; H34-D112 PolarHBondContact NE2-OD1 3.41Å; Q108-D112 WeakPolarHBondContact CG-OD2 3.35Å; Q108-D112 PolarHBondContact NE2-OD2 2.93Å; Q108-D112 WeakPolarHBondContact O-CB 3.44Å; Q108-D112 PolarHBondContact O-N 3.49Å; D112-F116 PolarHBondContact O-N 3.25Å; D112-F116 VanDerWaalsContact O-N 3.16Å; D112-R123 IonicContact OD1-NH1 3.3Å; D112-R123 PolarHBondContact OD1-NH1 3.24Å; D112-R123 WeakPolarHBondContact OD2-CD 3.38Å; D112-R123 IonicContact OD2-NH1 2.72Å
113	R	97.8	Very high	96.7	Very high	142 Å²	142	71.5 Å²	71.5	54%	0.536	34%	0.335	S	S	.	.	H	α-helix	trans	-67.5	-43.4	176.4	-179	61.6	-170	-169.2	8.8	112.2	R109 I110 F111 M115 F116 D117	R109-R113 WeakPolarHBondContact O-CB 3.31Å; R109-R113 PolarHBondContact O-N 3.32Å; I110-R113 PolarHBondContact O-N 2.72Å; F111-R113 PolarHBondContact O-N 2.04Å; R113-M115 VanDerWaalsContact C-N 3.34Å; R113-M115 PolarHBondContact O-N 3.12Å; R113-F116 WeakPolarHBondContact O-CB 3.33Å; R113-F116 PolarHBondContact O-N 3.11Å; R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 IonicContact CZ-OD1 2.65Å; R113-D117 IonicContact CZ-OD2 3.62Å; R113-D117 IonicContact NE-OD1 3.72Å; R113-D117 PolarHBondContact NE-OD1 2.75Å; R113-D117 IonicContact NE-OD2 3.77Å; R113-D117 PolarHBondContact NE-OD2 3.48Å; R113-D117 IonicContact NH1-OD1 3.74Å; R113-D117 IonicContact NH2-OD1 3.46Å; R113-D117 PolarHBondContact NH2-OD1 3.2Å; R113-D117 IonicContact NH2-OD2 2.78Å; R113-D117 PolarHBondContact O-N 3.42Å
114	C	98.2	Very high	96.7	Very high	9 Å²	9	68.3 Å²	68.3	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-44	176.9	-174.4	0	0	0	0	112	C81 E84 I110 F111 F116 D117 H118	C81-C114 WeakPolarHBondContact CA-SG 3.35Å; C81-C114 HydrophobicContact CB-CB 3.9Å; C81-C114 WeakPolarHBondContact CB-SG 3.49Å; C81-C114 WeakPolarHBondContact SG-CB 2.85Å; C81-C114 CovalentContact SG-SG 2.04Å; C81-C114 PolarHBondContact SG-SG 2.95Å; E84-C114 HydrophobicContact CB-CB 4.34Å; E84-C114 HydrophobicContact CG-CB 4.03Å; I110-C114 PolarHBondContact O-N 3.41Å; F111-C114 PolarHBondContact O-N 3.32Å; F111-C114 VanDerWaalsContact O-N 3.14Å; C114-F116 VanDerWaalsContact C-N 3.29Å; C114-F116 PolarHBondContact O-N 2.99Å; C114-D117 PolarHBondContact O-N 3.18Å; C114-H118 PolarHBondContact O-CD2 2.75Å; C114-H118 PolarHBondContact O-N 2.71Å; C114-H118 VanDerWaalsContact SG-CD2 3.55Å
115	M	97.6	Very high	96.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-37.3	177	-68.5	-60.2	-61.7	0	0	112.5	H34 F73 M76 V77 C81 F111 R113 Y119 G120 M121	H34-M115 HydrophobicContact CB-CE 4.44Å; F73-M115 HydrophobicContact CE2-CE 3.83Å; F73-M115 HydrophobicContact CZ-CE 4.11Å; M76-M115 HydrophobicContact CE-CE 3.88Å; V77-M115 HydrophobicContact CG2-CE 4.32Å; V77-M115 HydrophobicContact CG2-SD 3.99Å; C81-M115 HydrophobicContact CB-SD 4.43Å; F111-M115 HydrophobicContact CD2-CG 4.2Å; F111-M115 HydrophobicContact CE1-CG 4.23Å; F111-M115 HydrophobicContact CE2-CG 3.66Å; F111-M115 HydrophobicContact CE2-SD 3.77Å; F111-M115 HydrophobicContact CZ-CG 3.68Å; F111-M115 HydrophobicContact CZ-SD 3.87Å; F111-M115 WeakPolarHBondContact O-CG 3.3Å; F111-M115 PolarHBondContact O-N 3.06Å; R113-M115 VanDerWaalsContact C-N 3.34Å; R113-M115 PolarHBondContact O-N 3.12Å; M115-Y119 HydrophobicContact CE-CD2 4.04Å; M115-Y119 WeakPolarHBondContact O-CB 3.32Å; M115-Y119 PolarHBondContact O-N 2.66Å; M115-Y119 VanDerWaalsContact O-N 3.08Å; M115-Y119 HydrophobicContact SD-CD2 4.21Å; M115-G120 PolarHBondContact O-N 3.43Å; M115-M121 HydrophobicContact CE-CB 4.49Å; M115-M121 HydrophobicContact CE-SD 3.88Å; M115-M121 PolarHBondContact O-N 3.22Å
116	F	97.4	Very high	96.3	Very high	80 Å²	80	74.8 Å²	74.8	35%	0.351	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-47.5	173.6	-179	-99.3	0	0	0	112.1	D112 R113 C114 H118 G120 M121 E122	D112-F116 PolarHBondContact O-N 3.25Å; D112-F116 VanDerWaalsContact O-N 3.16Å; R113-F116 WeakPolarHBondContact O-CB 3.33Å; R113-F116 PolarHBondContact O-N 3.11Å; C114-F116 VanDerWaalsContact C-N 3.29Å; C114-F116 PolarHBondContact O-N 2.99Å; F116-H118 PolarHBondContact O-N 2.64Å; F116-G120 WeakPolarHBondContact O-CA 3.44Å; F116-G120 PolarHBondContact O-N 2.84Å; F116-M121 PolarHBondContact N-O 3.26Å; F116-E122 HydrophobicContact CD2-CG 3.51Å; F116-E122 HydrophobicContact CE2-CG 3.69Å
117	D	97.7	Very high	96.1	Very high	87 Å²	87	67.8 Å²	67.8	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-37.8	-175.6	-72.4	-24.8	0	0	0	112.8	R113 C114	R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 IonicContact CZ-OD1 2.65Å; R113-D117 IonicContact CZ-OD2 3.62Å; R113-D117 IonicContact NE-OD1 3.72Å; R113-D117 PolarHBondContact NE-OD1 2.75Å; R113-D117 IonicContact NE-OD2 3.77Å; R113-D117 PolarHBondContact NE-OD2 3.48Å; R113-D117 IonicContact NH1-OD1 3.74Å; R113-D117 IonicContact NH2-OD1 3.46Å; R113-D117 PolarHBondContact NH2-OD1 3.2Å; R113-D117 IonicContact NH2-OD2 2.78Å; R113-D117 PolarHBondContact O-N 3.42Å; C114-D117 PolarHBondContact O-N 3.18Å
118	H	97.1	Very high	95.9	Very high	117 Å²	117	69.8 Å²	69.8	54%	0.542	35%	0.346	S	S	.	.	H	α-helix	trans	-91.3	-33.4	-177.6	-75.2	-79.2	0	0	0	114.7	A80 C114 F116	A80-H118 HydrophobicContact CB-CB 4.01Å; C114-H118 PolarHBondContact O-CD2 2.75Å; C114-H118 PolarHBondContact O-N 2.71Å; C114-H118 VanDerWaalsContact SG-CD2 3.55Å; F116-H118 PolarHBondContact O-N 2.64Å
119	Y	96.1	Very high	95.7	Very high	84 Å²	84	72.7 Å²	72.7	33%	0.329	36%	0.358	S	S	.	.	H	α-helix	trans	-124.6	2.4	-171.9	-59.7	-65.5	0	0	0	113.7	M76 A80 M115 M121	M76-Y119 HydrophobicContact CE-CD2 4.3Å; M76-Y119 HydrophobicContact CE-CE2 4.5Å; M76-Y119 HydrophobicContact CE-CG 4.45Å; M76-Y119 HydrophobicContact CG-CD1 3.98Å; M76-Y119 HydrophobicContact CG-CD2 4.1Å; M76-Y119 HydrophobicContact CG-CE1 3.39Å; M76-Y119 HydrophobicContact CG-CE2 3.51Å; M76-Y119 HydrophobicContact CG-CG 4.3Å; M76-Y119 VanDerWaalsContact CG-OH 3.26Å; M76-Y119 WeakPolarHBondContact CG-OH 3.46Å; M76-Y119 PolarHBondContact O-OH 3.32Å; M76-Y119 HydrophobicContact SD-CD1 3.77Å; M76-Y119 HydrophobicContact SD-CD2 4.19Å; M76-Y119 HydrophobicContact SD-CE1 3.82Å; M76-Y119 HydrophobicContact SD-CE2 4.2Å; M76-Y119 HydrophobicContact SD-CG 3.97Å; A80-Y119 HydrophobicContact CB-CE2 3.7Å; A80-Y119 WeakPolarHBondContact CB-OH 3.41Å; M115-Y119 HydrophobicContact CE-CD2 4.04Å; M115-Y119 WeakPolarHBondContact O-CB 3.32Å; M115-Y119 PolarHBondContact O-N 2.66Å; M115-Y119 VanDerWaalsContact O-N 3.08Å; M115-Y119 HydrophobicContact SD-CD2 4.21Å; Y119-M121 PolarHBondContact O-N 2.93Å; Y119-M121 VanDerWaalsContact O-N 3.11Å
120	G	95.8	Very high	95.5	Very high	55 Å²	55	68.2 Å²	68.2	57%	0.567	36%	0.358	S	S	*	.			trans	62.2	16.4	-174.3	0	0	0	0	0	113.1	M115 F116 E122	M115-G120 PolarHBondContact O-N 3.43Å; F116-G120 WeakPolarHBondContact O-CA 3.44Å; F116-G120 PolarHBondContact O-N 2.84Å; G120-E122 PolarHBondContact O-N 3.28Å
121	M	94.9	Very high	95.2	Very high	25 Å²	25	71 Å²	71	12%	0.123	37%	0.367	C	S	.	.			trans	-90.8	101.8	-172.5	-172.4	178.4	-66	0	0	110.6	H34 Y38 F73 M76 M115 F116 Y119	H34-M121 HydrophobicContact CB-SD 3.95Å; Y38-M121 HydrophobicContact CD2-CE 3.55Å; Y38-M121 HydrophobicContact CG-CE 4.12Å; F73-M121 HydrophobicContact CE2-SD 4.28Å; M76-M121 HydrophobicContact CE-CE 4.18Å; M115-M121 HydrophobicContact CE-CB 4.49Å; M115-M121 HydrophobicContact CE-SD 3.88Å; M115-M121 PolarHBondContact O-N 3.22Å; F116-M121 PolarHBondContact N-O 3.26Å; Y119-M121 PolarHBondContact O-N 2.93Å; Y119-M121 VanDerWaalsContact O-N 3.11Å
122	E	94.9	Very high	94.9	Very high	119 Å²	119	77 Å²	77	56%	0.556	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-74.2	142.5	169.6	-66.9	-176.2	175.2	0	0	111.6	K37 F116 G120	K37-E122 WeakPolarHBondContact CD-O 3.38Å; K37-E122 PolarHBondContact NZ-O 3.36Å; F116-E122 HydrophobicContact CD2-CG 3.51Å; F116-E122 HydrophobicContact CE2-CG 3.69Å; G120-E122 PolarHBondContact O-N 3.28Å
123	R	94.5	Very high	94.3	Very high	54 Å²	54	80.6 Å²	80.6	20%	0.204	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-57.7	134.6	170.1	-176.1	-175.7	179.2	90.3	1.7	110	Y33 D112	Y33-R123 VanDerWaalsContact CG-NH2 3.29Å; D112-R123 IonicContact OD1-NH1 3.3Å; D112-R123 PolarHBondContact OD1-NH1 3.24Å; D112-R123 WeakPolarHBondContact OD2-CD 3.38Å; D112-R123 IonicContact OD2-NH1 2.72Å
124	P	94.8	Very high	93.9	Very high	7 Å²	7	79.6 Å²	79.6	5%	0.045	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-51.3	134.3	171.5	-24	29.3	0	0	0	112.2	Y33 K37 Y128 F129	Y33-P124 WeakPolarHBondContact O-CG 3.47Å; K37-P124 HydrophobicContact CB-CG 3.79Å; K37-P124 HydrophobicContact CD-CG 3.84Å; K37-P124 HydrophobicContact CG-CG 4.25Å; P124-Y128 HydrophobicContact CB-CD1 3.95Å; P124-Y128 HydrophobicContact CB-CG 3.83Å; P124-Y128 HydrophobicContact CG-CD1 4.45Å; P124-F129 HydrophobicContact CB-CE2 4.09Å; P124-F129 HydrophobicContact CB-CZ 4.43Å; P124-F129 HydrophobicContact CG-CE2 3.92Å; P124-F129 HydrophobicContact CG-CZ 3.94Å
125	P	93.4	Very high	93.5	Very high	84 Å²	84	81.1 Å²	81.1	55%	0.545	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.6	160.2	172.5	27.8	-34.8	0	0	0	110.7	G127 Y128	P125-G127 PolarHBondContact O-N 2.94Å; P125-Y128 VanDerWaalsContact O-CB 3.3Å; P125-Y128 WeakPolarHBondContact O-CB 3.43Å; P125-Y128 PolarHBondContact O-N 3.45Å; P125-Y128 VanDerWaalsContact O-N 3.07Å
126	L	91.1	Very high	93	Very high	173 Å²	173	88.5 Å²	88.5	91%	0.906	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	134.9	173.8	-66.5	175.4	0	0	0	110.1	Y128	L126-Y128 VanDerWaalsContact C-N 3.31Å; L126-Y128 PolarHBondContact O-N 3.25Å
127	G	92.5	Very high	92.5	Very high	36 Å²	36	86.6 Å²	86.6	37%	0.371	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	0.1	-178.2	0	0	0	0	0	115.6	P125 F129 S130 K131	P125-G127 PolarHBondContact O-N 2.94Å; G127-F129 VanDerWaalsContact C-N 3.3Å; G127-F129 PolarHBondContact O-N 3.36Å; G127-S130 WeakPolarHBondContact O-CA 3.47Å; G127-S130 WeakPolarHBondContact O-CB 3.5Å; G127-S130 PolarHBondContact O-N 3.4Å; G127-K131 PolarHBondContact O-N 2.99Å
128	Y	94.1	Very high	92	Very high	73 Å²	73	90.5 Å²	90.5	29%	0.286	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-51.5	-49	175.8	178.7	-93.9	0	0	0	112.2	P124 P125 L126 S130	P124-Y128 HydrophobicContact CB-CD1 3.95Å; P124-Y128 HydrophobicContact CB-CG 3.83Å; P124-Y128 HydrophobicContact CG-CD1 4.45Å; P125-Y128 VanDerWaalsContact O-CB 3.3Å; P125-Y128 WeakPolarHBondContact O-CB 3.43Å; P125-Y128 PolarHBondContact O-N 3.45Å; P125-Y128 VanDerWaalsContact O-N 3.07Å; L126-Y128 VanDerWaalsContact C-N 3.31Å; L126-Y128 PolarHBondContact O-N 3.25Å; Y128-S130 PolarHBondContact O-N 3.01Å
129	F	92.4	Very high	91.4	Very high	77 Å²	77	87.4 Å²	87.4	34%	0.338	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-77.1	-6.3	178.5	-60	-67.2	0	0	0	114.2	Y33 P124 G127	Y33-F129 HydrophobicContact CD1-CE2 4.1Å; P124-F129 HydrophobicContact CB-CE2 4.09Å; P124-F129 HydrophobicContact CB-CZ 4.43Å; P124-F129 HydrophobicContact CG-CE2 3.92Å; P124-F129 HydrophobicContact CG-CZ 3.94Å; G127-F129 VanDerWaalsContact C-N 3.3Å; G127-F129 PolarHBondContact O-N 3.36Å
130	S	92.8	Very high	90.9	Very high	105 Å²	105	89 Å²	89	73%	0.734	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-96.7	-9	178.8	-51.8	0	0	0	0	112.9	G127 Y128	G127-S130 WeakPolarHBondContact O-CA 3.47Å; G127-S130 WeakPolarHBondContact O-CB 3.5Å; G127-S130 PolarHBondContact O-N 3.4Å; Y128-S130 PolarHBondContact O-N 3.01Å
131	K	91.2	Very high	90.4	Very high	141 Å²	141	93.6 Å²	93.6	61%	0.613	50%	0.495	S	S	*	.	S	Bend	trans	-72.1	152.6	174.8	-67.4	-178.1	-179.9	-173.8	0	110.6	G127 R133	G127-K131 PolarHBondContact O-N 2.99Å; K131-R133 WeakPolarHBondContact O-CG 3.39Å; K131-R133 PolarHBondContact O-N 3.13Å
132	P	90.6	Very high	89.7	Confident	125 Å²	125	93.5 Å²	93.5	81%	0.812	50%	0.496	S	S	*	.			trans	-52.8	124.7	169.4	-25.6	34.6	0	0	0	110.9	V134	P132-V134 PolarHBondContact O-N 2.74Å
133	R	86.6	Confident	88.9	Confident	100 Å²	100	93.1 Å²	93.1	38%	0.377	50%	0.504	S	S	.	.			trans	-98.9	84.2	-176.1	-59.9	-173.6	77.6	-150.3	-0.4	109.6	D40 K131	D40-R133 VanDerWaalsContact CG-NH2 3.27Å; D40-R133 PolarHBondContact O-NH2 3.43Å; D40-R133 IonicContact OD1-CZ 3.77Å; D40-R133 IonicContact OD1-NE 3.48Å; D40-R133 IonicContact OD1-NH2 2.95Å; D40-R133 PolarHBondContact OD1-NH2 2.98Å; D40-R133 IonicContact OD2-NH2 3.81Å; K131-R133 WeakPolarHBondContact O-CG 3.39Å; K131-R133 PolarHBondContact O-N 3.13Å
134	V	87.8	Confident	87.7	Confident	121 Å²	121	94.7 Å²	94.7	73%	0.733	52%	0.516	S	S	*	.			trans	-76.4	124.7	172.5	-174.5	0	0	0	0	108.5	P132	P132-V134 PolarHBondContact O-N 2.74Å
135	H	89.8	Confident	86.4	Confident	41 Å²	41	100.9 Å²	100.9	19%	0.19	55%	0.549	C	S	.	.			trans	-121.3	123.8	177.5	-175.2	60.1	0	0	0	108.9	K44 E45	K44-H135 HydrophobicContact CB-CB 3.83Å; K44-H135 HydrophobicContact CD-CB 4.27Å; K44-H135 HydrophobicContact CG-CB 4.34Å; E45-H135 IonicContact OE2-CD2 2.75Å; E45-H135 PolarHBondContact OE2-CD2 3.03Å; E45-H135 IonicContact OE2-CE1 3.84Å; E45-H135 IonicContact OE2-NE2 2.66Å; E45-H135 PolarHBondContact OE2-NE2 3.45Å
136	I	87.3	Confident	85.2	Confident	154 Å²	154	102.1 Å²	102.1	79%	0.79	55%	0.551	S	S	*	*			trans	-94.1	118.5	175.9	-57.3	172.7	0	0	0	106
137	T	87.9	Confident	84	Confident	40 Å²	40	101.6 Å²	101.6	25%	0.245	54%	0.538	C	S	.	.			trans	-119.6	148	178	-169	0	0	0	0	109.4	E45 L48 R139	E45-T137 VanDerWaalsContact CD-OG1 3.31Å; E45-T137 PolarHBondContact OE1-OG1 3.39Å; E45-T137 VanDerWaalsContact OE2-CB 3.32Å; E45-T137 WeakPolarHBondContact OE2-CB 3.46Å; E45-T137 PolarHBondContact OE2-OG1 2.99Å; L48-T137 HydrophobicContact CD2-CG2 3.42Å; L48-T137 VanDerWaalsContact CD2-CG2 3.42Å; T137-R139 VanDerWaalsContact C-N 3.32Å; T137-R139 HydrophobicContact CG2-CG 3.73Å; T137-R139 WeakPolarHBondContact OG1-CG 3.48Å
138	D	87.3	Confident	83	Confident	170 Å²	170	103.3 Å²	103.3	91%	0.909	54%	0.543	S	S	*	.	S	Bend	trans	-82.5	-14.7	176.5	-61.3	-42	0	0	0	112.1
139	R	84.8	Confident	82.2	Confident	52 Å²	52	104.7 Å²	104.7	20%	0.196	56%	0.555	C	S	.	*	S	Bend	trans	-72.5	139.8	-178.1	73.6	-170.7	172.4	82.7	13.7	110.7	E45 L48 C49 E52 T137 K141	E45-R139 WeakPolarHBondContact OE1-CD 3.45Å; E45-R139 IonicContact OE1-CZ 2.81Å; E45-R139 IonicContact OE1-NE 2.99Å; E45-R139 PolarHBondContact OE1-NE 2.81Å; E45-R139 IonicContact OE1-NH2 2.72Å; L48-R139 VanDerWaalsContact C-NH2 3.26Å; C49-R139 VanDerWaalsContact CA-NH2 3.28Å; E52-R139 IonicContact OE2-CZ 3.61Å; E52-R139 IonicContact OE2-NH1 3.61Å; E52-R139 PolarHBondContact OE2-NH1 3.16Å; E52-R139 IonicContact OE2-NH2 2.94Å; E52-R139 PolarHBondContact OE2-NH2 3.48Å; T137-R139 VanDerWaalsContact C-N 3.32Å; T137-R139 HydrophobicContact CG2-CG 3.73Å; T137-R139 WeakPolarHBondContact OG1-CG 3.48Å; R139-K141 PolarHBondContact O-N 3.43Å
140	P	85.6	Confident	81.6	Confident	116 Å²	116	108.3 Å²	108.3	75%	0.753	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.6	176.4	27.6	-33.8	0	0	0	109.9
141	K	83.7	Confident	81	Confident	152 Å²	152	111.2 Å²	111.2	66%	0.661	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-61.1	130.5	171.2	-173.7	175.6	-177.6	-178.9	0	108.9	R139	R139-K141 PolarHBondContact O-N 3.43Å
142	P	81.9	Confident	80.7	Confident	24 Å²	24	106.4 Å²	106.4	16%	0.156	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-62.1	150	175.4	24.9	-32.4	0	0	0	110.9	E52 F53 N144	E52-P142 HydrophobicContact CB-CG 3.72Å; F53-P142 HydrophobicContact CD1-CB 4.02Å; F53-P142 HydrophobicContact CD1-CG 3.93Å; F53-P142 HydrophobicContact CE1-CB 3.52Å; F53-P142 HydrophobicContact CE1-CG 3.71Å; F53-P142 HydrophobicContact CE2-CG 4.44Å; F53-P142 HydrophobicContact CG-CG 4.42Å; F53-P142 HydrophobicContact CZ-CB 4.06Å; F53-P142 HydrophobicContact CZ-CG 3.99Å; P142-N144 PolarHBondContact O-N 3.18Å
143	P	77.9	Confident	80.4	Confident	110 Å²	110	105.5 Å²	105.5	71%	0.714	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.6	122.5	175	25.9	-32.6	0	0	0	109.1	N145	P143-N145 PolarHBondContact O-N 2.86Å
144	N	68.3	Low	80.3	Confident	87 Å²	87	102.9 Å²	102.9	47%	0.465	54%	0.541	S	S	.	.			trans	-78.5	109.2	171	-177.1	-38.2	0	0	0	107.2	P142 D146 Y147	P142-N144 PolarHBondContact O-N 3.18Å; N144-D146 VanDerWaalsContact OD1-CB 3.32Å; N144-D146 WeakPolarHBondContact OD1-CB 3.32Å; N144-D146 PolarHBondContact OD1-N 3.34Å; N144-D146 PolarHBondContact OD1-OD2 3.48Å; N144-Y147 PolarHBondContact OD1-N 3.45Å
145	N	67.5	Low	80.3	Confident	138 Å²	138	99.8 Å²	99.8	74%	0.738	53%	0.528	S	S	*	.			trans	-98	1.7	175.8	-67	-9.2	0	0	0	112	P143 Y147	P143-N145 PolarHBondContact O-N 2.86Å; N145-Y147 VanDerWaalsContact C-N 3.31Å
146	D	67.6	Low	80.3	Confident	109 Å²	109	104.7 Å²	104.7	58%	0.583	55%	0.549	S	S	*	.	S	Bend	trans	-74.9	-27.6	-173.1	-51.9	-41.1	0	0	0	111.2	N144	N144-D146 VanDerWaalsContact OD1-CB 3.32Å; N144-D146 WeakPolarHBondContact OD1-CB 3.32Å; N144-D146 PolarHBondContact OD1-N 3.34Å; N144-D146 PolarHBondContact OD1-OD2 3.48Å
147	Y	66.6	Low	80.3	Confident	163 Å²	163	100.8 Å²	100.8	64%	0.639	53%	0.532	S	S	*	.	S	Bend	trans	-125.3	136.7	178.2	-57.8	-79	0	0	0	111.3	N144 N145 D149	N144-Y147 PolarHBondContact OD1-N 3.45Å; N145-Y147 VanDerWaalsContact C-N 3.31Å; Y147-D149 PolarHBondContact O-N 2.87Å
148	P	71.2	Confident	80.2	Confident	71 Å²	71	103.1 Å²	103.1	46%	0.461	54%	0.542	S	S	.	.			trans	-55.8	139.2	166.9	-19	30.1	0	0	0	110.2	Y150	P148-Y150 VanDerWaalsContact C-N 3.26Å; P148-Y150 HydrophobicContact CB-CE1 4.27Å; P148-Y150 HydrophobicContact CG-CE1 4.36Å; P148-Y150 WeakPolarHBondContact O-CD2 3.31Å; P148-Y150 PolarHBondContact O-N 3.49Å
149	D	78	Confident	80.3	Confident	102 Å²	102	101.8 Å²	101.8	55%	0.545	54%	0.535	S	S	.	.			trans	-71.6	87.6	168.5	-176.8	-10.3	0	0	0	109.1	Y147 Q151 A152 E153	Y147-D149 PolarHBondContact O-N 2.87Å; D149-Q151 PolarHBondContact O-N 2.99Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.41Å; D149-Q151 PolarHBondContact OD1-N 3.21Å; D149-A152 HydrophobicContact CB-CB 3.99Å; D149-A152 VanDerWaalsContact CG-CB 3.44Å; D149-A152 PolarHBondContact O-N 3.03Å; D149-A152 PolarHBondContact OD1-N 3.18Å; D149-A152 VanDerWaalsContact OD2-CB 3.31Å; D149-A152 WeakPolarHBondContact OD2-CB 3.46Å; D149-E153 WeakPolarHBondContact O-CB 3.44Å; D149-E153 PolarHBondContact O-N 2.86Å
150	Y	80	Confident	80.5	Confident	153 Å²	153	106.8 Å²	106.8	60%	0.6	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-25.3	179.5	-63.8	-68.6	0	0	0	112.7	P148 A154	P148-Y150 VanDerWaalsContact C-N 3.26Å; P148-Y150 HydrophobicContact CB-CE1 4.27Å; P148-Y150 HydrophobicContact CG-CE1 4.36Å; P148-Y150 WeakPolarHBondContact O-CD2 3.31Å; P148-Y150 PolarHBondContact O-N 3.49Å; Y150-A154 WeakPolarHBondContact O-CB 3.04Å; Y150-A154 PolarHBondContact O-N 3.42Å
151	Q	80.3	Confident	80.5	Confident	166 Å²	166	103.3 Å²	103.3	78%	0.776	54%	0.536	S	S	*	.	H	α-helix	trans	-74.5	-46.3	177.4	-65.5	-174.1	-10.8	0	0	110.7	D149 E153 A154 A155	D149-Q151 PolarHBondContact O-N 2.99Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.41Å; D149-Q151 PolarHBondContact OD1-N 3.21Å; Q151-E153 VanDerWaalsContact C-N 3.33Å; Q151-A154 PolarHBondContact O-N 3.23Å; Q151-A155 WeakPolarHBondContact O-CB 3.37Å; Q151-A155 PolarHBondContact O-N 2.86Å
152	A	84.3	Confident	80.6	Confident	41 Å²	41	99.6 Å²	99.6	34%	0.339	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-38	174.4	0	0	0	0	0	112	D149 K156	D149-A152 HydrophobicContact CB-CB 3.99Å; D149-A152 VanDerWaalsContact CG-CB 3.44Å; D149-A152 PolarHBondContact O-N 3.03Å; D149-A152 PolarHBondContact OD1-N 3.18Å; D149-A152 VanDerWaalsContact OD2-CB 3.31Å; D149-A152 WeakPolarHBondContact OD2-CB 3.46Å; A152-K156 WeakPolarHBondContact O-CG 3.37Å; A152-K156 PolarHBondContact O-N 3.4Å
153	E	83.5	Confident	80.7	Confident	106 Å²	106	104 Å²	104	50%	0.495	57%	0.565	S	S	.	*	H	α-helix	trans	-64.2	-49	173.3	-170.9	178.5	178.8	0	0	111.2	D149 Q151 A155 K156 V157	D149-E153 WeakPolarHBondContact O-CB 3.44Å; D149-E153 PolarHBondContact O-N 2.86Å; Q151-E153 VanDerWaalsContact C-N 3.33Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact O-CB 3.44Å; E153-K156 PolarHBondContact O-N 3.41Å; E153-V157 WeakPolarHBondContact O-CG2 3.37Å; E153-V157 PolarHBondContact O-N 2.82Å
154	A	84.9	Confident	81	Confident	44 Å²	44	105.4 Å²	105.4	36%	0.364	57%	0.567	S	S	.	*	H	α-helix	trans	-61.1	-39.6	177.3	0	0	0	0	0	112.1	Y150 Q151 K156 V157 I158	Y150-A154 WeakPolarHBondContact O-CB 3.04Å; Y150-A154 PolarHBondContact O-N 3.42Å; Q151-A154 PolarHBondContact O-N 3.23Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 3.03Å; A154-V157 PolarHBondContact O-N 2.94Å; A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.18Å; A154-I158 PolarHBondContact O-N 3.13Å
155	A	88.2	Confident	81.5	Confident	57 Å²	57	106.6 Å²	106.6	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-61	-41.2	176.8	0	0	0	0	0	112	Q151 E153 I158 D159	Q151-A155 WeakPolarHBondContact O-CB 3.37Å; Q151-A155 PolarHBondContact O-N 2.86Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.01Å; A155-I158 PolarHBondContact O-N 2.93Å; A155-D159 PolarHBondContact O-N 3.05Å
156	K	89.2	Confident	82	Confident	143 Å²	143	105.2 Å²	105.2	62%	0.622	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-40.6	174.5	-69.5	171.3	-175.8	176	0	112.1	A152 E153 A154 Q160	A152-K156 WeakPolarHBondContact O-CG 3.37Å; A152-K156 PolarHBondContact O-N 3.4Å; E153-K156 WeakPolarHBondContact O-CB 3.44Å; E153-K156 PolarHBondContact O-N 3.41Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 3.03Å; K156-Q160 WeakPolarHBondContact O-CG 3.49Å; K156-Q160 PolarHBondContact O-N 2.84Å
157	V	87.3	Confident	82.3	Confident	73 Å²	73	106.4 Å²	106.4	44%	0.442	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-47.5	176.2	174.6	0	0	0	0	109.8	E153 A154 D159 Q160 L161	E153-V157 WeakPolarHBondContact O-CG2 3.37Å; E153-V157 PolarHBondContact O-N 2.82Å; A154-V157 PolarHBondContact O-N 2.94Å; V157-D159 VanDerWaalsContact C-N 3.31Å; V157-D159 PolarHBondContact O-N 3.2Å; V157-Q160 WeakPolarHBondContact O-CB 3.41Å; V157-Q160 PolarHBondContact O-N 3.43Å; V157-Q160 VanDerWaalsContact O-N 3.09Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 2.82Å
158	I	85.3	Confident	82.6	Confident	89 Å²	89	107 Å²	107	46%	0.456	56%	0.562	S	S	.	*	H	α-helix	trans	-59.4	-39.8	-179.9	-69.7	163.2	0	0	0	111.8	A154 A155 Q160 L161	A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.18Å; A154-I158 PolarHBondContact O-N 3.13Å; A155-I158 PolarHBondContact O-N 2.93Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.41Å; I158-L161 WeakPolarHBondContact O-CB 3.48Å; I158-L161 PolarHBondContact O-N 3.34Å
159	D	89.4	Confident	82.4	Confident	141 Å²	141	112.1 Å²	112.1	75%	0.754	58%	0.58	S	S	*	*	H	α-helix	trans	-66.2	-29.7	177.2	-170.4	60.1	0	0	0	113.1	A155 V157 L161	A155-D159 PolarHBondContact O-N 3.05Å; V157-D159 VanDerWaalsContact C-N 3.31Å; V157-D159 PolarHBondContact O-N 3.2Å; D159-L161 VanDerWaalsContact C-N 3.32Å
160	Q	88.9	Confident	82	Confident	157 Å²	157	109.9 Å²	109.9	73%	0.734	57%	0.568	S	S	*	*	H	α-helix	trans	-80.7	-13.3	175.4	-67.3	172.6	14.1	0	0	113.2	K156 V157 I158	K156-Q160 WeakPolarHBondContact O-CG 3.49Å; K156-Q160 PolarHBondContact O-N 2.84Å; V157-Q160 WeakPolarHBondContact O-CB 3.41Å; V157-Q160 PolarHBondContact O-N 3.43Å; V157-Q160 VanDerWaalsContact O-N 3.09Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.41Å
161	L	85.8	Confident	81.3	Confident	44 Å²	44	107.5 Å²	107.5	23%	0.23	56%	0.561	C	S	.	*	S	Bend	trans	-74.5	141.4	179.9	-65.9	177.4	0	0	0	110.3	V157 I158 D159 Y165 Y167	V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 2.82Å; I158-L161 WeakPolarHBondContact O-CB 3.48Å; I158-L161 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact C-N 3.32Å; L161-Y165 HydrophobicContact CB-CD2 4.33Å; L161-Y165 HydrophobicContact CB-CG 4.14Å; L161-Y165 HydrophobicContact CD1-CD1 3.72Å; L161-Y165 HydrophobicContact CD1-CD2 4.35Å; L161-Y165 HydrophobicContact CD1-CE1 3.94Å; L161-Y165 HydrophobicContact CD1-CG 3.92Å; L161-Y165 HydrophobicContact CD2-CD1 4.49Å; L161-Y165 HydrophobicContact CD2-CD2 3.69Å; L161-Y165 HydrophobicContact CD2-CE1 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 3.64Å; L161-Y165 HydrophobicContact CD2-CG 4.11Å; L161-Y165 HydrophobicContact CG-CD2 4.32Å; L161-Y165 HydrophobicContact CG-CG 4.25Å; L161-Y167 HydrophobicContact CD1-CE1 4.49Å
162	P	86.5	Confident	80.5	Confident	73 Å²	73	106.4 Å²	106.4	47%	0.474	55%	0.554	S	S	.	*			trans	-53.1	145.5	167.9	-24.6	34	0	0	0	111.4	D164 Y165	P162-D164 WeakPolarHBondContact CB-OD1 3.29Å; P162-D164 PolarHBondContact O-N 3.03Å; P162-D164 VanDerWaalsContact O-N 3.07Å; P162-Y165 VanDerWaalsContact O-CB 3.25Å; P162-Y165 WeakPolarHBondContact O-CB 3.44Å; P162-Y165 PolarHBondContact O-N 3.39Å
163	A	83.8	Confident	79.6	Confident	116 Å²	116	111 Å²	111	96%	0.959	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-24.4	179.9	0	0	0	0	0	113.2
164	D	85.2	Confident	78.5	Confident	141 Å²	141	112.2 Å²	112.2	75%	0.754	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	14.6	177.3	64.9	-34.3	0	0	0	113.8	P162	P162-D164 WeakPolarHBondContact CB-OD1 3.29Å; P162-D164 PolarHBondContact O-N 3.03Å; P162-D164 VanDerWaalsContact O-N 3.07Å
165	Y	78.7	Confident	77.4	Confident	111 Å²	111	119.1 Å²	119.1	44%	0.435	59%	0.585	S	S	.	*			trans	-58.8	126.2	179.9	-168.9	-95.3	0	0	0	111.7	L161 P162 Y167	L161-Y165 HydrophobicContact CB-CD2 4.33Å; L161-Y165 HydrophobicContact CB-CG 4.14Å; L161-Y165 HydrophobicContact CD1-CD1 3.72Å; L161-Y165 HydrophobicContact CD1-CD2 4.35Å; L161-Y165 HydrophobicContact CD1-CE1 3.94Å; L161-Y165 HydrophobicContact CD1-CG 3.92Å; L161-Y165 HydrophobicContact CD2-CD1 4.49Å; L161-Y165 HydrophobicContact CD2-CD2 3.69Å; L161-Y165 HydrophobicContact CD2-CE1 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 3.64Å; L161-Y165 HydrophobicContact CD2-CG 4.11Å; L161-Y165 HydrophobicContact CG-CD2 4.32Å; L161-Y165 HydrophobicContact CG-CG 4.25Å; P162-Y165 VanDerWaalsContact O-CB 3.25Å; P162-Y165 WeakPolarHBondContact O-CB 3.44Å; P162-Y165 PolarHBondContact O-N 3.39Å; Y165-Y167 HydrophobicContact CD1-CE1 4.41Å; Y165-Y167 WeakPolarHBondContact O-CD2 3.33Å; Y165-Y167 PolarHBondContact O-N 3.12Å
166	P	77.6	Confident	76.1	Confident	110 Å²	110	119.5 Å²	119.5	71%	0.714	58%	0.579	S	S	*	*			trans	-74	95.7	-176.7	29	-34	0	0	0	110.7	R168	P166-R168 PolarHBondContact O-N 3.21Å
167	Y	74.4	Confident	74.8	Confident	133 Å²	133	117.5 Å²	117.5	52%	0.522	58%	0.581	S	S	.	*			trans	-67.9	125.1	168.2	-63.4	-80	0	0	0	110.1	L161 Y165 Q169	L161-Y167 HydrophobicContact CD1-CE1 4.49Å; Y165-Y167 HydrophobicContact CD1-CE1 4.41Å; Y165-Y167 WeakPolarHBondContact O-CD2 3.33Å; Y165-Y167 PolarHBondContact O-N 3.12Å; Y167-Q169 PolarHBondContact O-N 3.3Å; Y167-Q169 VanDerWaalsContact O-N 3.07Å
168	R	71.5	Confident	73.6	Confident	176 Å²	176	122.6 Å²	122.6	66%	0.664	60%	0.6	S	S	*	*			trans	-59	109.8	169.8	-90	-134.4	-65.6	-155.1	-1.8	109.6	P166 D170 F171	P166-R168 PolarHBondContact O-N 3.21Å; R168-D170 VanDerWaalsContact CB-OD1 3.26Å; R168-D170 WeakPolarHBondContact CB-OD1 3.45Å; R168-D170 WeakPolarHBondContact CD-OD1 2.96Å; R168-D170 IonicContact NE-OD1 3.95Å; R168-D170 PolarHBondContact O-N 3.23Å; R168-F171 WeakPolarHBondContact O-CD1 3.38Å; R168-F171 PolarHBondContact O-N 3.2Å
169	Q	68.4	Low	72.3	Confident	179 Å²	179	123.5 Å²	123.5	84%	0.836	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-20.3	-177.3	-66.3	-177.3	3.6	0	0	113.7	Y167 F171	Y167-Q169 PolarHBondContact O-N 3.3Å; Y167-Q169 VanDerWaalsContact O-N 3.07Å; Q169-F171 VanDerWaalsContact C-N 3.26Å; Q169-F171 PolarHBondContact O-N 3.09Å
170	D	69.1	Low	70.5	Confident	55 Å²	55	118.8 Å²	118.8	29%	0.294	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-7.5	177.7	60.8	-41.6	0	0	0	113.8	R168 K172 K173	R168-D170 VanDerWaalsContact CB-OD1 3.26Å; R168-D170 WeakPolarHBondContact CB-OD1 3.45Å; R168-D170 WeakPolarHBondContact CD-OD1 2.96Å; R168-D170 IonicContact NE-OD1 3.95Å; R168-D170 PolarHBondContact O-N 3.23Å; D170-K172 PolarHBondContact O-N 3.17Å; D170-K172 VanDerWaalsContact O-N 3.12Å; D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 3.1Å
171	F	64.7	Low	69.1	Low	102 Å²	102	116.7 Å²	116.7	45%	0.447	58%	0.58	S	S	.	*	H	α-helix	trans	-52.2	-37.3	178.1	77.8	-71.2	0	0	0	113.2	R168 Q169 K173 Y174 Y175	R168-F171 WeakPolarHBondContact O-CD1 3.38Å; R168-F171 PolarHBondContact O-N 3.2Å; Q169-F171 VanDerWaalsContact C-N 3.26Å; Q169-F171 PolarHBondContact O-N 3.09Å; F171-K173 PolarHBondContact O-N 3.43Å; F171-Y174 PolarHBondContact O-N 3.36Å; F171-Y174 VanDerWaalsContact O-N 3.1Å; F171-Y175 VanDerWaalsContact O-CD2 3.29Å; F171-Y175 WeakPolarHBondContact O-CD2 3.37Å
172	K	63.9	Low	67.8	Low	143 Å²	143	123.5 Å²	123.5	62%	0.622	61%	0.608	S	S	*	*	H	α-helix	trans	-58.9	-31.5	179.2	-67.8	-174.2	178.7	-179.9	0	112.9	D170 Y174 Y175 D176	D170-K172 PolarHBondContact O-N 3.17Å; D170-K172 VanDerWaalsContact O-N 3.12Å; K172-Y174 PolarHBondContact O-N 3.23Å; K172-Y175 PolarHBondContact O-N 3.3Å; K172-D176 PolarHBondContact O-N 3.3Å; K172-D176 VanDerWaalsContact O-N 3.12Å
173	K	65.3	Low	65.9	Low	137 Å²	137	125.8 Å²	125.8	60%	0.596	63%	0.633	S	S	*	*	H	α-helix	trans	-64.7	-27.6	179.3	-64.2	-177.1	177.9	179.4	0	112.8	D170 F171 L179	D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 3.1Å; F171-K173 PolarHBondContact O-N 3.43Å; K173-L179 HydrophobicContact CB-CD1 4.32Å; K173-L179 HydrophobicContact CG-CD1 4.28Å; K173-L179 WeakPolarHBondContact O-CB 3.26Å
174	Y	61.3	Low	65	Low	132 Å²	132	126.3 Å²	126.3	52%	0.518	62%	0.616	S	S	.	*	H	α-helix	trans	-82.2	-19.5	179.5	-64.1	-81.1	0	0	0	113.1	F171 K172 N180	F171-Y174 PolarHBondContact O-N 3.36Å; F171-Y174 VanDerWaalsContact O-N 3.1Å; K172-Y174 PolarHBondContact O-N 3.23Å; Y174-N180 WeakPolarHBondContact O-CB 3.09Å; Y174-N180 PolarHBondContact O-ND2 3.39Å
175	Y	61.4	Low	64	Low	189 Å²	189	125.5 Å²	125.5	74%	0.741	61%	0.609	S	S	*	*	H	α-helix	trans	-104.5	-5.6	179.3	-65.1	-76	0	0	0	113.5	F171 K172 P177	F171-Y175 VanDerWaalsContact O-CD2 3.29Å; F171-Y175 WeakPolarHBondContact O-CD2 3.37Å; K172-Y175 PolarHBondContact O-N 3.3Å; Y175-P177 VanDerWaalsContact O-CD 3.31Å; Y175-P177 WeakPolarHBondContact O-CD 3.33Å
176	D	59.9	Low	63.2	Low	66 Å²	66	126.3 Å²	126.3	35%	0.353	62%	0.619	S	S	.	*			trans	-80.2	114.1	173.8	-161.4	-19.2	0	0	0	109	K172 Q178 L179 N180	K172-D176 PolarHBondContact O-N 3.3Å; K172-D176 VanDerWaalsContact O-N 3.12Å; D176-Q178 PolarHBondContact O-N 3.12Å; D176-Q178 PolarHBondContact OD1-N 2.94Å; D176-L179 HydrophobicContact CB-CB 4.31Å; D176-L179 HydrophobicContact CB-CD1 4.12Å; D176-L179 PolarHBondContact O-N 3.42Å; D176-N180 PolarHBondContact O-N 2.97Å
177	P	63	Low	62.3	Low	100 Å²	100	127.2 Å²	127.2	65%	0.649	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-21.9	-178.4	-22.7	33.9	0	0	0	113.1	Y175 L179	Y175-P177 VanDerWaalsContact O-CD 3.31Å; Y175-P177 WeakPolarHBondContact O-CD 3.33Å; P177-L179 VanDerWaalsContact C-N 3.31Å
178	Q	62.5	Low	61.6	Low	181 Å²	181	126.9 Å²	126.9	85%	0.846	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-20	177.1	-61.5	-170.1	-6	0	0	113.4	D176	D176-Q178 PolarHBondContact O-N 3.12Å; D176-Q178 PolarHBondContact OD1-N 2.94Å
179	L	56.4	Low	60.9	Low	108 Å²	108	123.6 Å²	123.6	57%	0.565	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-23.8	-175.6	-71.3	165.7	0	0	0	113	K173 D176 P177 P181	K173-L179 HydrophobicContact CB-CD1 4.32Å; K173-L179 HydrophobicContact CG-CD1 4.28Å; K173-L179 WeakPolarHBondContact O-CB 3.26Å; D176-L179 HydrophobicContact CB-CB 4.31Å; D176-L179 HydrophobicContact CB-CD1 4.12Å; D176-L179 PolarHBondContact O-N 3.42Å; P177-L179 VanDerWaalsContact C-N 3.31Å; L179-P181 WeakPolarHBondContact O-CD 3.34Å
180	N	52.5	Low	60.4	Low	42 Å²	42	119.6 Å²	119.6	23%	0.225	60%	0.6	C	S	.	*			trans	-93.6	110.3	178.2	-173.3	-4	0	0	0	111.2	Y174 D176 F182 A183	Y174-N180 WeakPolarHBondContact O-CB 3.09Å; Y174-N180 PolarHBondContact O-ND2 3.39Å; D176-N180 PolarHBondContact O-N 2.97Å; N180-F182 PolarHBondContact O-N 2.95Å; N180-F182 VanDerWaalsContact O-N 3.13Å; N180-F182 WeakPolarHBondContact OD1-CB 3.25Å; N180-F182 PolarHBondContact OD1-N 3.07Å; N180-A183 HydrophobicContact CB-CB 4.2Å; N180-A183 PolarHBondContact O-N 3.07Å
181	P	59	Low	59.7	Low	113 Å²	113	124.6 Å²	124.6	73%	0.734	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-1.3	177.3	29.4	-34.1	0	0	0	114.3	L179	L179-P181 WeakPolarHBondContact O-CD 3.34Å
182	F	58	Low	59.3	Low	187 Å²	187	126.5 Å²	126.5	82%	0.82	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	6.6	179.9	-54.3	-73.4	0	0	0	114.1	N180	N180-F182 PolarHBondContact O-N 2.95Å; N180-F182 VanDerWaalsContact O-N 3.13Å; N180-F182 WeakPolarHBondContact OD1-CB 3.25Å; N180-F182 PolarHBondContact OD1-N 3.07Å
183	A	48.1	Very low	58.9	Low	120 Å²	120	125 Å²	125	99%	0.992	64%	0.64	S	S	*	*			trans	-85.5	0	172.5	0	0	0	0	0	111.9	N180	N180-A183 HydrophobicContact CB-CB 4.2Å; N180-A183 PolarHBondContact O-N 3.07Å

Retrieved 183 of 183 residues in 125.4 ms (Link to these results)

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