A0A077ZGB1_TRITR Loading...

Mob1 phocein domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	58.9	Low	248 Å²	248	147.3 Å²	147.3	100%	1.222	85%	0.848	S	S	*	*				0	100.8	0	-81.9	166.4	160.2	0	0	106.5
2	S	56.4	Low	60.2	Low	114 Å²	114	153.3 Å²	153.3	80%	0.797	85%	0.846	S	S	*	*			trans	-94	109.6	171.7	-164.6	0	0	0	0	105.7	M4	S2-M4 PolarHBondContact O-N 3.28Å
3	E	54	Low	62	Low	192 Å²	192	147.5 Å²	147.5	90%	0.897	81%	0.812	S	S	*	*			trans	-57.5	110.2	167.8	-91.3	171.6	123.3	0	0	107.6	A5	E3-A5 VanDerWaalsContact C-N 3.33Å; E3-A5 PolarHBondContact O-N 3.05Å; E3-A5 VanDerWaalsContact O-N 3.08Å
4	M	57.5	Low	63.4	Low	182 Å²	182	143.1 Å²	143.1	90%	0.897	79%	0.786	S	S	*	*			trans	-69.2	100	162.3	-80.3	-175.5	-88.9	0	0	105.8	S2 D6	S2-M4 PolarHBondContact O-N 3.28Å; M4-D6 PolarHBondContact O-N 3.08Å
5	A	61.8	Low	65	Low	91 Å²	91	138.6 Å²	138.6	75%	0.752	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.9	125.2	171.6	0	0	0	0	0	108.5	E3	E3-A5 VanDerWaalsContact C-N 3.33Å; E3-A5 PolarHBondContact O-N 3.05Å; E3-A5 VanDerWaalsContact O-N 3.08Å
6	D	61.2	Low	66.5	Low	147 Å²	147	141 Å²	141	79%	0.786	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-53	132.6	175.8	-74.4	-46.6	0	0	0	109.4	M4 V8	M4-D6 PolarHBondContact O-N 3.08Å; D6-V8 PolarHBondContact O-N 3.09Å; D6-V8 VanDerWaalsContact O-N 3.09Å
7	P	58.6	Low	68	Low	118 Å²	118	135.1 Å²	135.1	77%	0.766	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.7	-178.7	22	-30.5	0	0	0	109	P9	P7-P9 WeakPolarHBondContact O-CD 3.41Å; P7-P9 VanDerWaalsContact O-N 3.1Å
8	V	58.4	Low	69.2	Low	133 Å²	133	137.2 Å²	137.2	81%	0.806	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-50.1	119.8	173.2	179.2	0	0	0	0	107.2	D6 A10	D6-V8 PolarHBondContact O-N 3.09Å; D6-V8 VanDerWaalsContact O-N 3.09Å; V8-A10 PolarHBondContact O-N 3.04Å; V8-A10 VanDerWaalsContact O-N 3.08Å
9	P	57.6	Low	70.5	Confident	113 Å²	113	137.2 Å²	137.2	73%	0.734	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-54.8	123.6	179.9	-23.3	31.6	0	0	0	108.3	P7 E11	P7-P9 WeakPolarHBondContact O-CD 3.41Å; P7-P9 VanDerWaalsContact O-N 3.1Å; P9-E11 PolarHBondContact O-N 3.08Å
10	A	65.3	Low	71.7	Confident	98 Å²	98	134.3 Å²	134.3	81%	0.81	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-47.4	121.7	177	0	0	0	0	0	108.2	V8 R12	V8-A10 PolarHBondContact O-N 3.04Å; V8-A10 VanDerWaalsContact O-N 3.08Å; A10-R12 PolarHBondContact O-N 3.01Å
11	E	69.9	Low	72.7	Confident	184 Å²	184	129.9 Å²	129.9	86%	0.86	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.7	118.4	-172.7	-170	175.2	-179	0	0	108.5	P9 I13	P9-E11 PolarHBondContact O-N 3.08Å; E11-I13 PolarHBondContact O-N 2.83Å
12	R	75.5	Confident	74.9	Confident	219 Å²	219	125.4 Å²	125.4	83%	0.826	68%	0.678	S	S	*	*			trans	-66.5	100	-174.4	-176.8	177.9	177.4	161.4	1.6	108.6	A10 L14	A10-R12 PolarHBondContact O-N 3.01Å; R12-L14 PolarHBondContact O-N 3.17Å
13	I	82.6	Confident	76.6	Confident	79 Å²	79	124.4 Å²	124.4	41%	0.405	68%	0.677	S	S	.	*			trans	-62.7	107.8	178.5	-59.3	172.3	0	0	0	109	E11 R15 W29 P30	E11-I13 PolarHBondContact O-N 2.83Å; I13-R15 HydrophobicContact CG2-CG 4.18Å; I13-R15 PolarHBondContact O-N 3.3Å; I13-R15 PolarHBondContact O-NH1 3.07Å; I13-W29 HydrophobicContact CG2-CB 4.49Å; I13-P30 HydrophobicContact CD1-CB 4.36Å; I13-P30 HydrophobicContact CD1-CG 4.24Å; I13-P30 HydrophobicContact CG2-CG 4.35Å
14	L	81.6	Confident	78.3	Confident	85 Å²	85	118.5 Å²	118.5	45%	0.445	66%	0.661	S	S	.	*			trans	-78	105.6	177.4	-73.3	165.6	0	0	0	110.2	R12 R16	R12-L14 PolarHBondContact O-N 3.17Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.32Å
15	R	87.9	Confident	79.9	Confident	76 Å²	76	113.6 Å²	113.6	29%	0.287	64%	0.638	S	S	.	*			trans	-90.2	57.1	178.6	-63	-174.8	171.4	70.7	-4.7	112.5	I13 W29 P30 M32	I13-R15 HydrophobicContact CG2-CG 4.18Å; I13-R15 PolarHBondContact O-N 3.3Å; I13-R15 PolarHBondContact O-NH1 3.07Å; R15-W29 HydrophobicContact CB-CD2 3.95Å; R15-W29 HydrophobicContact CB-CG 3.99Å; R15-W29 HydrophobicContact CG-CB 4.17Å; R15-W29 HydrophobicContact CG-CD2 4.24Å; R15-W29 HydrophobicContact CG-CG 3.73Å; R15-P30 PolarHBondContact NE-O 2.99Å; R15-P30 PolarHBondContact NH2-O 3.44Å; R15-M32 VanDerWaalsContact CZ-CE 3.43Å; R15-M32 VanDerWaalsContact NH1-CE 3.33Å
16	R	89.6	Confident	81.3	Confident	177 Å²	177	116.6 Å²	116.6	67%	0.668	63%	0.63	S	S	*	*	S	Bend	trans	-145.2	143.7	175.6	65.1	179.4	-178.6	177.5	-0.2	110.6	L14 W29	L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.32Å; R16-W29 VanDerWaalsContact C-CZ3 3.48Å
17	N	91.3	Very high	82.7	Confident	40 Å²	40	110.4 Å²	110.4	21%	0.214	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-69.7	132.5	172.5	-63.8	-46.5	0	0	0	109	T21 W26 C27 W29	N17-T21 HydrophobicContact CB-CG2 4.3Å; N17-W26 HydrophobicContact CB-CE3 3.98Å; N17-W26 HydrophobicContact CB-CH2 4.2Å; N17-W26 HydrophobicContact CB-CZ3 3.8Å; N17-W26 VanDerWaalsContact ND2-CZ2 3.3Å; N17-W26 WeakPolarHBondContact ND2-CZ2 3.34Å; N17-C27 PolarHBondContact OD1-N 3.22Å; N17-W29 WeakPolarHBondContact OD1-CZ3 3.3Å
18	R	89.8	Confident	84.2	Confident	173 Å²	173	112 Å²	112	65%	0.653	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-78.6	153.9	175.4	-65.8	-173.2	-179.2	-162.1	1.7	108.8	G20 T21	R18-G20 PolarHBondContact O-N 3.08Å; R18-T21 PolarHBondContact N-OG1 2.96Å; R18-T21 WeakPolarHBondContact O-CB 3.34Å; R18-T21 PolarHBondContact O-N 2.98Å; R18-T21 PolarHBondContact O-OG1 3Å
19	P	93.6	Very high	85.7	Confident	137 Å²	137	108.8 Å²	108.8	89%	0.89	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	128.7	168.7	-25.7	35.1	0	0	0	110.2
20	G	94	Very high	87.3	Confident	80 Å²	80	107 Å²	107	83%	0.825	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.2	6.5	-176.9	0	0	0	0	0	116	R18 K22	R18-G20 PolarHBondContact O-N 3.08Å; G20-K22 PolarHBondContact O-N 3.04Å
21	T	92.9	Very high	88.5	Confident	41 Å²	41	107.4 Å²	107.4	25%	0.252	54%	0.54	S	S	.	.			trans	-56.3	125.7	169.9	-70.3	0	0	0	0	109.8	N17 R18 D25 W26	N17-T21 HydrophobicContact CB-CG2 4.3Å; R18-T21 PolarHBondContact N-OG1 2.96Å; R18-T21 WeakPolarHBondContact O-CB 3.34Å; R18-T21 PolarHBondContact O-N 2.98Å; R18-T21 PolarHBondContact O-OG1 3Å; T21-D25 HydrophobicContact CG2-CB 3.92Å; T21-W26 HydrophobicContact CG2-CE3 4.43Å
22	K	94.3	Very high	89.6	Confident	154 Å²	154	100.6 Å²	100.6	67%	0.67	51%	0.509	S	S	*	.			trans	-65.8	152.8	177.2	-65.4	179.9	178	178.7	0	110.1	G20 A24 D25 W26	G20-K22 PolarHBondContact O-N 3.04Å; K22-A24 PolarHBondContact O-N 3.15Å; K22-D25 CarbonylContact O-C 3.57Å; K22-D25 WeakPolarHBondContact O-CA 3.49Å; K22-D25 PolarHBondContact O-N 3.31Å; K22-W26 PolarHBondContact O-N 3.28Å
23	A	90.4	Very high	90.4	Very high	94 Å²	94	96.7 Å²	96.7	78%	0.777	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-53.6	-38.8	174.8	0	0	0	0	0	112.1	D25 W26	A23-D25 PolarHBondContact O-N 3.03Å; A23-W26 WeakPolarHBondContact O-CB 3.42Å; A23-W26 PolarHBondContact O-N 3.04Å
24	A	91.1	Very high	90.9	Very high	68 Å²	68	94.5 Å²	94.5	56%	0.562	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24	176.1	0	0	0	0	0	113.6	K22 K28	K22-A24 PolarHBondContact O-N 3.15Å; A24-K28 WeakPolarHBondContact O-CD 3.42Å; A24-K28 WeakPolarHBondContact O-CE 3.4Å; A24-K28 PolarHBondContact O-NZ 3.34Å
25	D	90.9	Very high	91.4	Very high	78 Å²	78	97.7 Å²	97.7	42%	0.417	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-104.7	6.9	-178.7	-58	-43.9	0	0	0	112.6	T21 K22 A23 C27 K28	T21-D25 HydrophobicContact CG2-CB 3.92Å; K22-D25 CarbonylContact O-C 3.57Å; K22-D25 WeakPolarHBondContact O-CA 3.49Å; K22-D25 PolarHBondContact O-N 3.31Å; A23-D25 PolarHBondContact O-N 3.03Å; D25-C27 PolarHBondContact O-N 3.13Å; D25-K28 PolarHBondContact O-N 3.47Å; D25-K28 IonicContact OD1-NZ 3.78Å
26	W	90.6	Very high	91.5	Very high	155 Å²	155	99.3 Å²	99.3	59%	0.587	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	123.7	-177.5	-167.2	-96.7	0	0	0	110.8	N17 T21 K22 A23 K28	N17-W26 HydrophobicContact CB-CE3 3.98Å; N17-W26 HydrophobicContact CB-CH2 4.2Å; N17-W26 HydrophobicContact CB-CZ3 3.8Å; N17-W26 VanDerWaalsContact ND2-CZ2 3.3Å; N17-W26 WeakPolarHBondContact ND2-CZ2 3.34Å; T21-W26 HydrophobicContact CG2-CE3 4.43Å; K22-W26 PolarHBondContact O-N 3.28Å; A23-W26 WeakPolarHBondContact O-CB 3.42Å; A23-W26 PolarHBondContact O-N 3.04Å; W26-K28 PolarHBondContact O-N 3.23Å
27	C	91.6	Very high	91.6	Very high	17 Å²	17	91.7 Å²	91.7	12%	0.115	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	20.5	-178.8	-57.7	0	0	0	0	115.6	N17 D25 W29	N17-C27 PolarHBondContact OD1-N 3.22Å; D25-C27 PolarHBondContact O-N 3.13Å; C27-W29 VanDerWaalsContact CA-CZ3 3.46Å; C27-W29 HydrophobicContact CB-CH2 3.77Å; C27-W29 HydrophobicContact CB-CZ2 3.79Å; C27-W29 HydrophobicContact CB-CZ3 4.22Å; C27-W29 PolarHBondContact O-N 2.93Å; C27-W29 WeakPolarHBondContact SG-CH2 3.45Å
28	K	89.1	Confident	91.3	Very high	151 Å²	151	97.8 Å²	97.8	66%	0.657	51%	0.514	S	S	*	.			trans	-80.4	57.1	177.4	-74.6	-162.4	175.1	154.8	0	113.5	A24 D25 W26	A24-K28 WeakPolarHBondContact O-CD 3.42Å; A24-K28 WeakPolarHBondContact O-CE 3.4Å; A24-K28 PolarHBondContact O-NZ 3.34Å; D25-K28 PolarHBondContact O-N 3.47Å; D25-K28 IonicContact OD1-NZ 3.78Å; W26-K28 PolarHBondContact O-N 3.23Å
29	W	90.5	Very high	91.2	Very high	66 Å²	66	91.7 Å²	91.7	25%	0.25	50%	0.498	C	S	.	.	S	Bend	trans	-107	156.4	169	46.5	73.3	0	0	0	111	I13 R15 R16 N17 C27	I13-W29 HydrophobicContact CG2-CB 4.49Å; R15-W29 HydrophobicContact CB-CD2 3.95Å; R15-W29 HydrophobicContact CB-CG 3.99Å; R15-W29 HydrophobicContact CG-CB 4.17Å; R15-W29 HydrophobicContact CG-CD2 4.24Å; R15-W29 HydrophobicContact CG-CG 3.73Å; R16-W29 VanDerWaalsContact C-CZ3 3.48Å; N17-W29 WeakPolarHBondContact OD1-CZ3 3.3Å; C27-W29 VanDerWaalsContact CA-CZ3 3.46Å; C27-W29 HydrophobicContact CB-CH2 3.77Å; C27-W29 HydrophobicContact CB-CZ2 3.79Å; C27-W29 HydrophobicContact CB-CZ3 4.22Å; C27-W29 PolarHBondContact O-N 2.93Å; C27-W29 WeakPolarHBondContact SG-CH2 3.45Å
30	P	90.6	Very high	90.9	Very high	76 Å²	76	89.4 Å²	89.4	49%	0.494	48%	0.481	S	S	.	.			trans	-55.4	142	177	-26.4	34.6	0	0	0	113.2	I13 R15	I13-P30 HydrophobicContact CD1-CB 4.36Å; I13-P30 HydrophobicContact CD1-CG 4.24Å; I13-P30 HydrophobicContact CG2-CG 4.35Å; R15-P30 PolarHBondContact NE-O 2.99Å; R15-P30 PolarHBondContact NH2-O 3.44Å
31	E	91.5	Very high	90.8	Very high	106 Å²	106	88.4 Å²	88.4	50%	0.495	46%	0.457	S	S	.	.			trans	-52.1	142	172.5	-69	179	-146.2	0	0	110.3	Q49 K53	E31-Q49 HydrophobicContact CG-CG 4.05Å; E31-K53 VanDerWaalsContact OE1-CD 3.29Å; E31-K53 WeakPolarHBondContact OE1-CD 3.5Å; E31-K53 VanDerWaalsContact OE1-CE 3.31Å; E31-K53 WeakPolarHBondContact OE1-CE 3.4Å; E31-K53 IonicContact OE1-NZ 3.2Å; E31-K53 PolarHBondContact OE1-NZ 3.32Å; E31-K53 IonicContact OE2-NZ 3.8Å; E31-K53 PolarHBondContact OE2-NZ 3.32Å; E31-K53 VanDerWaalsContact OE2-NZ 3.13Å
32	M	91.8	Very high	90.9	Very high	40 Å²	40	87.6 Å²	87.6	20%	0.197	45%	0.452	C	S	.	.			trans	-110.9	141.9	171	-176.2	-177.7	-83.5	0	0	108.4	R15 E36 M37 Q49	R15-M32 VanDerWaalsContact CZ-CE 3.43Å; R15-M32 VanDerWaalsContact NH1-CE 3.33Å; M32-E36 HydrophobicContact CG-CB 3.65Å; M32-E36 VanDerWaalsContact SD-C 3.59Å; M32-E36 HydrophobicContact SD-CB 4.09Å; M32-E36 VanDerWaalsContact SD-O 3.39Å; M32-M37 HydrophobicContact CB-CE 4.06Å; M32-M37 HydrophobicContact CB-CG 4.45Å; M32-M37 HydrophobicContact CG-CG 4.02Å; M32-M37 WeakPolarHBondContact O-CE 3.33Å; M32-M37 HydrophobicContact SD-CB 4.24Å; M32-M37 HydrophobicContact SD-CG 3.58Å; M32-M37 VanDerWaalsContact SD-CG 3.58Å; M32-Q49 PolarHBondContact O-NE2 2.86Å
33	K	92.7	Very high	90.9	Very high	137 Å²	137	80.6 Å²	80.6	60%	0.596	42%	0.423	S	S	*	.			trans	-69.4	149.1	172.4	-66.7	-178.9	-179.9	172.6	0	109.9	E35 E36 M37	K33-E35 WeakPolarHBondContact CB-OE2 3.2Å; K33-E35 PolarHBondContact O-N 2.98Å; K33-E36 HydrophobicContact CB-CG 4.24Å; K33-E36 PolarHBondContact O-N 3.21Å; K33-M37 PolarHBondContact O-N 3.33Å
34	F	93.4	Very high	91.1	Very high	34 Å²	34	78.4 Å²	78.4	15%	0.149	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-58.5	-36.9	-177.2	-176	-108	0	0	0	112.2	E36 M37 V43 Y46 P65 Q68	F34-E36 PolarHBondContact O-N 3.27Å; F34-M37 HydrophobicContact CD2-SD 4.27Å; F34-M37 WeakPolarHBondContact O-CB 3.11Å; F34-M37 PolarHBondContact O-N 3.32Å; F34-M37 VanDerWaalsContact O-N 3.13Å; F34-V43 HydrophobicContact CE2-CG2 4.15Å; F34-V43 HydrophobicContact CZ-CG2 4.04Å; F34-Y46 HydrophobicContact CB-CD2 4.04Å; F34-Y46 HydrophobicContact CB-CE2 4.16Å; F34-Y46 HydrophobicContact CD2-CD1 4.45Å; F34-Y46 AromaticContact CD2-CD2 3.97Å; F34-Y46 HydrophobicContact CD2-CD2 3.97Å; F34-Y46 AromaticContact CD2-CG 3.81Å; F34-Y46 HydrophobicContact CD2-CG 3.81Å; F34-Y46 HydrophobicContact CG-CD2 4.45Å; F34-P65 HydrophobicContact CB-CB 4.25Å; F34-P65 HydrophobicContact CB-CG 4.17Å; F34-P65 HydrophobicContact CD1-CB 3.45Å; F34-P65 VanDerWaalsContact CD1-CB 3.45Å; F34-P65 HydrophobicContact CD1-CG 3.73Å; F34-P65 HydrophobicContact CD2-CB 4.43Å; F34-P65 HydrophobicContact CD2-CG 3.79Å; F34-P65 HydrophobicContact CE1-CB 3.85Å; F34-P65 HydrophobicContact CE1-CG 4.03Å; F34-P65 HydrophobicContact CE2-CG 4.09Å; F34-P65 HydrophobicContact CG-CB 3.78Å; F34-P65 HydrophobicContact CG-CG 3.6Å; F34-P65 HydrophobicContact CZ-CB 4.49Å; F34-P65 HydrophobicContact CZ-CG 4.2Å; F34-Q68 VanDerWaalsContact CZ-OE1 3.3Å
35	E	91.4	Very high	91.3	Very high	151 Å²	151	79 Å²	79	71%	0.706	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20.6	-179.9	-56.2	77.6	-168.2	0	0	113.4	K33	K33-E35 WeakPolarHBondContact CB-OE2 3.2Å; K33-E35 PolarHBondContact O-N 2.98Å
36	E	91	Very high	91.6	Very high	111 Å²	111	77.8 Å²	77.8	52%	0.519	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-90.4	-9.4	177.7	-63.7	169.8	-174.8	0	0	111.9	M32 K33 F34 D38	M32-E36 HydrophobicContact CG-CB 3.65Å; M32-E36 VanDerWaalsContact SD-C 3.59Å; M32-E36 HydrophobicContact SD-CB 4.09Å; M32-E36 VanDerWaalsContact SD-O 3.39Å; K33-E36 HydrophobicContact CB-CG 4.24Å; K33-E36 PolarHBondContact O-N 3.21Å; F34-E36 PolarHBondContact O-N 3.27Å; E36-D38 PolarHBondContact O-N 3.06Å
37	M	91	Very high	91.9	Very high	16 Å²	16	70.4 Å²	70.4	8%	0.079	35%	0.35	C	S	.	.			trans	-79.4	87.5	179.5	-64.9	-176.1	-179.7	0	0	111	M32 K33 F34 S39 S42 Q45 Y46	M32-M37 HydrophobicContact CB-CE 4.06Å; M32-M37 HydrophobicContact CB-CG 4.45Å; M32-M37 HydrophobicContact CG-CG 4.02Å; M32-M37 WeakPolarHBondContact O-CE 3.33Å; M32-M37 HydrophobicContact SD-CB 4.24Å; M32-M37 HydrophobicContact SD-CG 3.58Å; M32-M37 VanDerWaalsContact SD-CG 3.58Å; K33-M37 PolarHBondContact O-N 3.33Å; F34-M37 HydrophobicContact CD2-SD 4.27Å; F34-M37 WeakPolarHBondContact O-CB 3.11Å; F34-M37 PolarHBondContact O-N 3.32Å; F34-M37 VanDerWaalsContact O-N 3.13Å; M37-S39 PolarHBondContact O-N 2.73Å; M37-S39 VanDerWaalsContact O-N 3.15Å; M37-S42 WeakPolarHBondContact O-CB 3.27Å; M37-Q45 HydrophobicContact SD-CB 4.06Å; M37-Y46 HydrophobicContact CE-CD2 4.11Å; M37-Y46 HydrophobicContact SD-CD2 4.46Å
38	D	84.9	Confident	92.2	Very high	169 Å²	169	71.1 Å²	71.1	90%	0.904	35%	0.351	S	S	*	.			trans	-86.6	76.7	177	-170.1	19.9	0	0	0	111.6	E36	E36-D38 PolarHBondContact O-N 3.06Å
39	S	87.9	Confident	92.5	Very high	45 Å²	45	65.1 Å²	65.1	32%	0.315	33%	0.326	S	S	.	.	S	Bend	trans	-155	149.4	178.2	176.5	0	0	0	0	111.4	M37 L41 S42	M37-S39 PolarHBondContact O-N 2.73Å; M37-S39 VanDerWaalsContact O-N 3.15Å; S39-L41 PolarHBondContact O-N 3.26Å; S39-L41 PolarHBondContact OG-N 2.85Å; S39-L41 VanDerWaalsContact OG-N 3.08Å; S39-S42 WeakPolarHBondContact O-CB 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.08Å
40	T	88	Confident	92.8	Very high	89 Å²	89	62.7 Å²	62.7	55%	0.546	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.3	169.3	68.9	0	0	0	0	113.1	I150	T40-I150 HydrophobicContact CG2-CD1 3.89Å
41	L	91.5	Very high	93.1	Very high	59 Å²	59	59.8 Å²	59.8	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	14	176.6	-56	179.1	0	0	0	112.4	S39 V43 Q44 Q45	S39-L41 PolarHBondContact O-N 3.26Å; S39-L41 PolarHBondContact OG-N 2.85Å; S39-L41 VanDerWaalsContact OG-N 3.08Å; L41-V43 VanDerWaalsContact C-N 3.28Å; L41-V43 PolarHBondContact O-N 3.29Å; L41-Q44 HydrophobicContact CB-CB 4.49Å; L41-Q44 WeakPolarHBondContact O-CB 3.26Å; L41-Q44 PolarHBondContact O-N 2.99Å; L41-Q44 VanDerWaalsContact O-N 3.08Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 VanDerWaalsContact O-CG 3.31Å; L41-Q45 WeakPolarHBondContact O-CG 3.11Å; L41-Q45 PolarHBondContact O-N 3.44Å
42	S	94	Very high	93.3	Very high	23 Å²	23	60.3 Å²	60.3	16%	0.161	30%	0.296	C	S	.	.	H	α-helix	trans	-52.5	-44.4	-177	56.9	0	0	0	0	112.6	M37 S39 Q45 Y46	M37-S42 WeakPolarHBondContact O-CB 3.27Å; S39-S42 WeakPolarHBondContact O-CB 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.08Å; S42-Q45 PolarHBondContact O-N 3.47Å; S42-Y46 WeakPolarHBondContact O-CB 3.31Å; S42-Y46 PolarHBondContact O-N 2.87Å
43	V	95.5	Very high	93.4	Very high	8 Å²	8	64.7 Å²	64.7	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-46.1	177.5	179	0	0	0	0	111.5	F34 L41 Q45 Y46 I47 Q68 V72 W73 E76	F34-V43 HydrophobicContact CE2-CG2 4.15Å; F34-V43 HydrophobicContact CZ-CG2 4.04Å; L41-V43 VanDerWaalsContact C-N 3.28Å; L41-V43 PolarHBondContact O-N 3.29Å; V43-Q45 VanDerWaalsContact C-N 3.35Å; V43-Q45 PolarHBondContact O-N 3.44Å; V43-Y46 PolarHBondContact O-N 3.37Å; V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 HydrophobicContact CG1-CG1 4.49Å; V43-I47 VanDerWaalsContact O-CG1 3.23Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.22Å; V43-Q68 HydrophobicContact CG2-CG 4.37Å; V43-V72 HydrophobicContact CB-CG1 4.32Å; V43-V72 HydrophobicContact CG1-CG1 4.38Å; V43-V72 HydrophobicContact CG2-CG1 3.92Å; V43-W73 HydrophobicContact CG1-CE3 3.66Å; V43-W73 HydrophobicContact CG1-CZ3 4.01Å; V43-E76 HydrophobicContact CB-CG 4.03Å; V43-E76 HydrophobicContact CG1-CB 3.77Å; V43-E76 HydrophobicContact CG1-CG 3.76Å
44	Q	95.3	Very high	93.6	Very high	48 Å²	48	61.6 Å²	61.6	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176	-175.5	-173.4	15.3	0	0	111.3	L41 Y46 I47 Q48	L41-Q44 HydrophobicContact CB-CB 4.49Å; L41-Q44 WeakPolarHBondContact O-CB 3.26Å; L41-Q44 PolarHBondContact O-N 2.99Å; L41-Q44 VanDerWaalsContact O-N 3.08Å; Q44-Y46 VanDerWaalsContact C-N 3.32Å; Q44-Y46 PolarHBondContact O-N 3.2Å; Q44-I47 PolarHBondContact O-N 3.13Å; Q44-Q48 WeakPolarHBondContact O-CB 3.46Å; Q44-Q48 VanDerWaalsContact O-CG 3.26Å; Q44-Q48 WeakPolarHBondContact O-CG 3.35Å; Q44-Q48 PolarHBondContact O-N 3.31Å
45	Q	94.8	Very high	93.7	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-42.8	178.8	-71.9	172.5	-21.9	0	0	111.3	M37 L41 S42 V43 Q48 Q49	M37-Q45 HydrophobicContact SD-CB 4.06Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 VanDerWaalsContact O-CG 3.31Å; L41-Q45 WeakPolarHBondContact O-CG 3.11Å; L41-Q45 PolarHBondContact O-N 3.44Å; S42-Q45 PolarHBondContact O-N 3.47Å; V43-Q45 VanDerWaalsContact C-N 3.35Å; V43-Q45 PolarHBondContact O-N 3.44Å; Q45-Q48 PolarHBondContact O-N 3.18Å; Q45-Q49 WeakPolarHBondContact O-CB 3.41Å; Q45-Q49 PolarHBondContact O-N 3.25Å
46	Y	96.4	Very high	94	Very high	53 Å²	53	56.6 Å²	56.6	21%	0.208	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-50.1	177.3	-173.6	-104.7	0	0	0	111.8	F34 M37 S42 V43 Q44 Q48 Q49 T50 P65 W73	F34-Y46 HydrophobicContact CB-CD2 4.04Å; F34-Y46 HydrophobicContact CB-CE2 4.16Å; F34-Y46 HydrophobicContact CD2-CD1 4.45Å; F34-Y46 AromaticContact CD2-CD2 3.97Å; F34-Y46 HydrophobicContact CD2-CD2 3.97Å; F34-Y46 AromaticContact CD2-CG 3.81Å; F34-Y46 HydrophobicContact CD2-CG 3.81Å; F34-Y46 HydrophobicContact CG-CD2 4.45Å; M37-Y46 HydrophobicContact CE-CD2 4.11Å; M37-Y46 HydrophobicContact SD-CD2 4.46Å; S42-Y46 WeakPolarHBondContact O-CB 3.31Å; S42-Y46 PolarHBondContact O-N 2.87Å; V43-Y46 PolarHBondContact O-N 3.37Å; Q44-Y46 VanDerWaalsContact C-N 3.32Å; Q44-Y46 PolarHBondContact O-N 3.2Å; Y46-Q48 VanDerWaalsContact C-N 3.31Å; Y46-Q48 PolarHBondContact O-N 3.24Å; Y46-Q49 WeakPolarHBondContact O-CB 3.21Å; Y46-Q49 PolarHBondContact O-N 2.86Å; Y46-T50 PolarHBondContact O-N 2.69Å; Y46-T50 PolarHBondContact O-OG1 3.48Å; Y46-T50 VanDerWaalsContact O-OG1 3.05Å; Y46-P65 HydrophobicContact CD1-CG 3.83Å; Y46-P65 HydrophobicContact CE1-CG 3.64Å; Y46-P65 HydrophobicContact CG-CG 4.42Å; Y46-W73 AromaticContact CD1-CH2 3.85Å; Y46-W73 HydrophobicContact CD1-CH2 3.85Å; Y46-W73 AromaticContact CD1-CZ3 3.95Å; Y46-W73 HydrophobicContact CD1-CZ3 3.95Å; Y46-W73 AromaticContact CE1-CH2 3.99Å; Y46-W73 HydrophobicContact CE1-CH2 3.99Å; Y46-W73 HydrophobicContact CE1-CZ3 4.44Å
47	I	97.7	Very high	94.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-48.9	176.4	-65.9	165.8	0	0	0	110.4	V43 Q44 Q49 T50 V51 W73 E76 H77 Q80	V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 HydrophobicContact CG1-CG1 4.49Å; V43-I47 VanDerWaalsContact O-CG1 3.23Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.22Å; Q44-I47 PolarHBondContact O-N 3.13Å; I47-Q49 VanDerWaalsContact C-N 3.29Å; I47-Q49 PolarHBondContact O-N 3.05Å; I47-T50 PolarHBondContact O-N 2.93Å; I47-V51 HydrophobicContact CG2-CG2 4.3Å; I47-V51 WeakPolarHBondContact O-CB 3.31Å; I47-V51 VanDerWaalsContact O-CG2 3.28Å; I47-V51 WeakPolarHBondContact O-CG2 3.29Å; I47-V51 PolarHBondContact O-N 3.14Å; I47-W73 HydrophobicContact CD1-CE3 4.49Å; I47-W73 HydrophobicContact CD1-CZ3 4.35Å; I47-W73 HydrophobicContact CG1-CH2 4.05Å; I47-W73 HydrophobicContact CG1-CZ3 3.94Å; I47-E76 HydrophobicContact CD1-CB 3.72Å; I47-H77 VanDerWaalsContact CD1-CE1 3.46Å; I47-H77 WeakPolarHBondContact CD1-CE1 3.41Å; I47-H77 VanDerWaalsContact CD1-ND1 3.34Å; I47-H77 WeakPolarHBondContact CD1-ND1 2.82Å; I47-H77 VanDerWaalsContact CG1-CE1 3.45Å; I47-H77 WeakPolarHBondContact CG1-CE1 3.24Å; I47-Q80 HydrophobicContact CG2-CB 4.16Å; I47-Q80 HydrophobicContact CG2-CG 3.78Å
48	Q	96.8	Very high	94.5	Very high	31 Å²	31	54.7 Å²	54.7	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-31.2	179.7	-69.5	179.6	3.7	0	0	113.1	Q44 Q45 Y46 R52	Q44-Q48 WeakPolarHBondContact O-CB 3.46Å; Q44-Q48 VanDerWaalsContact O-CG 3.26Å; Q44-Q48 WeakPolarHBondContact O-CG 3.35Å; Q44-Q48 PolarHBondContact O-N 3.31Å; Q45-Q48 PolarHBondContact O-N 3.18Å; Y46-Q48 VanDerWaalsContact C-N 3.31Å; Y46-Q48 PolarHBondContact O-N 3.24Å; Q48-R52 VanDerWaalsContact CB-NH1 3.34Å; Q48-R52 WeakPolarHBondContact O-CB 3.12Å; Q48-R52 WeakPolarHBondContact O-CG 3.43Å; Q48-R52 PolarHBondContact O-N 3.26Å; Q48-R52 VanDerWaalsContact O-N 3.11Å; Q48-R52 PolarHBondContact O-NH1 2.82Å
49	Q	96	Very high	95	Very high	26 Å²	26	51.6 Å²	51.6	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-47.6	174	-176.8	176.8	-80.4	0	0	110.3	E31 M32 Q45 Y46 I47 R52 K53	E31-Q49 HydrophobicContact CG-CG 4.05Å; M32-Q49 PolarHBondContact O-NE2 2.86Å; Q45-Q49 WeakPolarHBondContact O-CB 3.41Å; Q45-Q49 PolarHBondContact O-N 3.25Å; Y46-Q49 WeakPolarHBondContact O-CB 3.21Å; Y46-Q49 PolarHBondContact O-N 2.86Å; I47-Q49 VanDerWaalsContact C-N 3.29Å; I47-Q49 PolarHBondContact O-N 3.05Å; Q49-R52 PolarHBondContact O-N 3.09Å; Q49-K53 WeakPolarHBondContact O-CB 3.39Å; Q49-K53 PolarHBondContact O-N 2.88Å
50	T	96.9	Very high	95.4	Very high	15 Å²	15	51 Å²	51	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-42	-179.8	-44.9	0	0	0	0	111.8	Y46 I47 R52 K53 D54 A60 I61	Y46-T50 PolarHBondContact O-N 2.69Å; Y46-T50 PolarHBondContact O-OG1 3.48Å; Y46-T50 VanDerWaalsContact O-OG1 3.05Å; I47-T50 PolarHBondContact O-N 2.93Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.38Å; T50-K53 WeakPolarHBondContact O-CB 3.35Å; T50-K53 PolarHBondContact O-N 3.13Å; T50-D54 PolarHBondContact O-N 3.17Å; T50-D54 VanDerWaalsContact O-N 3.17Å; T50-A60 HydrophobicContact CG2-CB 3.92Å; T50-I61 HydrophobicContact CG2-CB 4.35Å; T50-I61 HydrophobicContact CG2-CG1 3.66Å
51	V	97.2	Very high	95.9	Very high	15 Å²	15	46.9 Å²	46.9	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-39.7	174.7	171.9	0	0	0	0	111.8	I47 D54 P55 I61	I47-V51 HydrophobicContact CG2-CG2 4.3Å; I47-V51 WeakPolarHBondContact O-CB 3.31Å; I47-V51 VanDerWaalsContact O-CG2 3.28Å; I47-V51 WeakPolarHBondContact O-CG2 3.29Å; I47-V51 PolarHBondContact O-N 3.14Å; V51-D54 CarbonylContact O-C 3.56Å; V51-P55 WeakPolarHBondContact O-CD 3.48Å; V51-I61 HydrophobicContact CB-CD1 4.49Å; V51-I61 HydrophobicContact CG2-CD1 3.94Å; V51-I61 HydrophobicContact CG2-CG1 4.16Å; V51-I61 HydrophobicContact CG2-CG2 3.89Å
52	R	94.8	Very high	96.2	Very high	117 Å²	117	44 Å²	44	44%	0.442	23%	0.227	S	C	.	.	H	α-helix	trans	-71.1	-31.1	177.6	-75.8	178.7	-162	110.3	4.6	113.1	Q48 Q49 T50	Q48-R52 VanDerWaalsContact CB-NH1 3.34Å; Q48-R52 WeakPolarHBondContact O-CB 3.12Å; Q48-R52 WeakPolarHBondContact O-CG 3.43Å; Q48-R52 PolarHBondContact O-N 3.26Å; Q48-R52 VanDerWaalsContact O-N 3.11Å; Q48-R52 PolarHBondContact O-NH1 2.82Å; Q49-R52 PolarHBondContact O-N 3.09Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.38Å
53	K	94.4	Very high	96.4	Very high	132 Å²	132	45.9 Å²	45.9	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-65.7	-53.9	178.5	179.6	-176.6	-170.6	157.1	0	110.6	E31 Q49 T50	E31-K53 VanDerWaalsContact OE1-CD 3.29Å; E31-K53 WeakPolarHBondContact OE1-CD 3.5Å; E31-K53 VanDerWaalsContact OE1-CE 3.31Å; E31-K53 WeakPolarHBondContact OE1-CE 3.4Å; E31-K53 IonicContact OE1-NZ 3.2Å; E31-K53 PolarHBondContact OE1-NZ 3.32Å; E31-K53 IonicContact OE2-NZ 3.8Å; E31-K53 PolarHBondContact OE2-NZ 3.32Å; E31-K53 VanDerWaalsContact OE2-NZ 3.13Å; Q49-K53 WeakPolarHBondContact O-CB 3.39Å; Q49-K53 PolarHBondContact O-N 2.88Å; T50-K53 WeakPolarHBondContact O-CB 3.35Å; T50-K53 PolarHBondContact O-N 3.13Å
54	D	96.4	Very high	96.4	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	25%	0.249	S	C	.	.			trans	-155.1	104.8	175.2	-174.7	-4.7	0	0	0	109.7	T50 V51 A56 D57 I61	T50-D54 PolarHBondContact O-N 3.17Å; T50-D54 VanDerWaalsContact O-N 3.17Å; V51-D54 CarbonylContact O-C 3.56Å; D54-A56 PolarHBondContact O-N 3.02Å; D54-A56 WeakPolarHBondContact OD1-CA 3.32Å; D54-A56 VanDerWaalsContact OD1-CB 3.29Å; D54-A56 WeakPolarHBondContact OD1-CB 3.27Å; D54-A56 PolarHBondContact OD1-N 2.86Å; D54-D57 HydrophobicContact CB-CB 3.96Å; D54-D57 PolarHBondContact O-N 2.83Å; D54-I61 WeakPolarHBondContact O-CD1 3.46Å
55	P	96.8	Very high	96.4	Very high	35 Å²	35	46 Å²	46	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.8	178.8	26.8	-33.7	0	0	0	113.3	V51 R194	V51-P55 WeakPolarHBondContact O-CD 3.48Å; P55-R194 PolarHBondContact O-NH1 2.91Å
56	A	96.1	Very high	96.3	Very high	45 Å²	45	52.4 Å²	52.4	37%	0.372	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-17	179.2	0	0	0	0	0	113.3	D54 I58	D54-A56 PolarHBondContact O-N 3.02Å; D54-A56 WeakPolarHBondContact OD1-CA 3.32Å; D54-A56 VanDerWaalsContact OD1-CB 3.29Å; D54-A56 WeakPolarHBondContact OD1-CB 3.27Å; D54-A56 PolarHBondContact OD1-N 2.86Å; A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 WeakPolarHBondContact O-CG1 3.35Å; A56-I58 PolarHBondContact O-N 3.28Å
57	D	96.9	Very high	96.1	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.374	30%	0.3	S	S	.	.			trans	-80.1	74.5	177	-169	-11.3	0	0	0	111	D54 D59 A60 I61	D54-D57 HydrophobicContact CB-CB 3.96Å; D54-D57 PolarHBondContact O-N 2.83Å; D57-D59 VanDerWaalsContact C-N 3.28Å; D57-D59 PolarHBondContact O-N 2.93Å; D57-A60 HydrophobicContact CB-CB 4.18Å; D57-A60 PolarHBondContact O-N 2.97Å; D57-A60 VanDerWaalsContact OD1-CB 3.31Å; D57-A60 WeakPolarHBondContact OD1-CB 3.49Å; D57-A60 PolarHBondContact OD1-N 2.66Å; D57-A60 WeakPolarHBondContact OD2-CB 3.43Å; D57-I61 WeakPolarHBondContact O-CD1 3.34Å; D57-I61 VanDerWaalsContact O-CG1 3.24Å; D57-I61 WeakPolarHBondContact O-CG1 3.49Å; D57-I61 PolarHBondContact O-N 2.91Å
58	I	96.2	Very high	95.9	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.087	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-38.6	-175.8	-54.5	-171	0	0	0	111.4	A56 I61 L62 K193 R194 N197	A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 WeakPolarHBondContact O-CG1 3.35Å; A56-I58 PolarHBondContact O-N 3.28Å; I58-I61 PolarHBondContact O-N 3.28Å; I58-L62 HydrophobicContact CG2-CD1 3.6Å; I58-L62 HydrophobicContact CG2-CG 4.04Å; I58-L62 WeakPolarHBondContact O-CB 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 3.01Å; I58-K193 HydrophobicContact CD1-CB 3.99Å; I58-K193 HydrophobicContact CD1-CD 3.6Å; I58-K193 HydrophobicContact CD1-CG 3.43Å; I58-K193 VanDerWaalsContact CD1-CG 3.43Å; I58-R194 HydrophobicContact CD1-CG 4.38Å; I58-R194 HydrophobicContact CG1-CG 4.02Å; I58-N197 HydrophobicContact CG2-CB 3.62Å
59	D	96.4	Very high	95.6	Very high	105 Å²	105	57.3 Å²	57.3	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-68	-41.9	-178.8	-85.3	-41.3	0	0	0	111.8	D57 I61 T63 R201	D57-D59 VanDerWaalsContact C-N 3.28Å; D57-D59 PolarHBondContact O-N 2.93Å; D59-I61 VanDerWaalsContact C-N 3.35Å; D59-T63 VanDerWaalsContact O-CB 3.23Å; D59-T63 WeakPolarHBondContact O-CB 3.28Å; D59-T63 PolarHBondContact O-N 3.18Å; D59-T63 VanDerWaalsContact O-N 3.11Å; D59-T63 PolarHBondContact O-OG1 3.41Å; D59-R201 IonicContact OD1-CZ 3.7Å; D59-R201 IonicContact OD1-NH1 2.66Å; D59-R201 PolarHBondContact OD1-NH1 3.06Å
60	A	96.5	Very high	95.5	Very high	33 Å²	33	61 Å²	61	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-39.9	173.7	0	0	0	0	0	112.1	T50 D57	T50-A60 HydrophobicContact CG2-CB 3.92Å; D57-A60 HydrophobicContact CB-CB 4.18Å; D57-A60 PolarHBondContact O-N 2.97Å; D57-A60 VanDerWaalsContact OD1-CB 3.31Å; D57-A60 WeakPolarHBondContact OD1-CB 3.49Å; D57-A60 PolarHBondContact OD1-N 2.66Å; D57-A60 WeakPolarHBondContact OD2-CB 3.43Å
61	I	98	Very high	95.3	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-42.9	-178.7	-67.1	165	0	0	0	111.4	T50 V51 D54 D57 I58 D59 W73 H77	T50-I61 HydrophobicContact CG2-CB 4.35Å; T50-I61 HydrophobicContact CG2-CG1 3.66Å; V51-I61 HydrophobicContact CB-CD1 4.49Å; V51-I61 HydrophobicContact CG2-CD1 3.94Å; V51-I61 HydrophobicContact CG2-CG1 4.16Å; V51-I61 HydrophobicContact CG2-CG2 3.89Å; D54-I61 WeakPolarHBondContact O-CD1 3.46Å; D57-I61 WeakPolarHBondContact O-CD1 3.34Å; D57-I61 VanDerWaalsContact O-CG1 3.24Å; D57-I61 WeakPolarHBondContact O-CG1 3.49Å; D57-I61 PolarHBondContact O-N 2.91Å; I58-I61 PolarHBondContact O-N 3.28Å; D59-I61 VanDerWaalsContact C-N 3.35Å; I61-W73 VanDerWaalsContact O-CZ2 3.27Å; I61-W73 WeakPolarHBondContact O-CZ2 3.43Å; I61-H77 PolarHBondContact O-CE1 3.15Å; I61-H77 PolarHBondContact O-NE2 3.14Å
62	L	97.7	Very high	95.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-89.1	-10.6	-172.9	-61.4	-174.3	0	0	0	114.3	I58 P64 W73 N197 F198	I58-L62 HydrophobicContact CG2-CD1 3.6Å; I58-L62 HydrophobicContact CG2-CG 4.04Å; I58-L62 WeakPolarHBondContact O-CB 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 3.01Å; L62-P64 WeakPolarHBondContact O-CD 3.5Å; L62-W73 PolarHBondContact O-NE1 3.37Å; L62-N197 HydrophobicContact CD1-CB 3.68Å; L62-F198 HydrophobicContact CD1-CB 4.08Å; L62-F198 HydrophobicContact CD2-CB 3.9Å; L62-F198 HydrophobicContact CD2-CD2 4.08Å; L62-F198 HydrophobicContact CD2-CG 4.45Å
63	T	97.3	Very high	95.2	Very high	61 Å²	61	54.2 Å²	54.2	37%	0.374	31%	0.307	S	S	.	.	S	Bend	trans	-81.6	114.2	178.2	-61.9	0	0	0	0	110.8	D59 W73 R201	D59-T63 VanDerWaalsContact O-CB 3.23Å; D59-T63 WeakPolarHBondContact O-CB 3.28Å; D59-T63 PolarHBondContact O-N 3.18Å; D59-T63 VanDerWaalsContact O-N 3.11Å; D59-T63 PolarHBondContact O-OG1 3.41Å; T63-W73 VanDerWaalsContact C-CZ2 3.5Å; T63-W73 WeakPolarHBondContact O-CZ2 3.28Å; T63-R201 PolarHBondContact OG1-NH2 3.5Å
64	P	95.8	Very high	95.2	Very high	47 Å²	47	49 Å²	49	31%	0.305	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-67.4	147.4	179.7	27	-33.2	0	0	0	111.8	L62 Q68 W73	L62-P64 WeakPolarHBondContact O-CD 3.5Å; P64-Q68 HydrophobicContact CB-CB 4.27Å; P64-W73 HydrophobicContact CB-CD2 3.75Å; P64-W73 HydrophobicContact CB-CE3 4.17Å; P64-W73 HydrophobicContact CB-CG 3.97Å; P64-W73 HydrophobicContact CB-CZ2 4.21Å
65	P	95.2	Very high	95.1	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.084	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-55.4	154.7	167.1	-23.7	33.3	0	0	0	112	F34 Y46 G67 Q68 W73	F34-P65 HydrophobicContact CB-CB 4.25Å; F34-P65 HydrophobicContact CB-CG 4.17Å; F34-P65 HydrophobicContact CD1-CB 3.45Å; F34-P65 VanDerWaalsContact CD1-CB 3.45Å; F34-P65 HydrophobicContact CD1-CG 3.73Å; F34-P65 HydrophobicContact CD2-CB 4.43Å; F34-P65 HydrophobicContact CD2-CG 3.79Å; F34-P65 HydrophobicContact CE1-CB 3.85Å; F34-P65 HydrophobicContact CE1-CG 4.03Å; F34-P65 HydrophobicContact CE2-CG 4.09Å; F34-P65 HydrophobicContact CG-CB 3.78Å; F34-P65 HydrophobicContact CG-CG 3.6Å; F34-P65 HydrophobicContact CZ-CB 4.49Å; F34-P65 HydrophobicContact CZ-CG 4.2Å; Y46-P65 HydrophobicContact CD1-CG 3.83Å; Y46-P65 HydrophobicContact CE1-CG 3.64Å; Y46-P65 HydrophobicContact CG-CG 4.42Å; P65-G67 PolarHBondContact O-N 3.37Å; P65-Q68 HydrophobicContact CB-CB 4.37Å; P65-Q68 VanDerWaalsContact O-CB 3.25Å; P65-Q68 WeakPolarHBondContact O-CB 3.41Å; P65-Q68 PolarHBondContact O-N 3.07Å; P65-Q68 VanDerWaalsContact O-N 3.07Å; P65-W73 HydrophobicContact CG-CZ3 4.44Å
66	K	93.4	Very high	95.1	Very high	213 Å²	213	44.1 Å²	44.1	93%	0.926	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	126.1	-177.8	-174.4	178.9	178.8	-179.5	0	111.1	Q68	K66-Q68 PolarHBondContact O-N 3.43Å
67	G	91.6	Very high	95.1	Very high	83 Å²	83	42.1 Å²	42.1	86%	0.856	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	3.3	178.5	0	0	0	0	0	114.7	P65	P65-G67 PolarHBondContact O-N 3.37Å
68	Q	92.6	Very high	95.1	Very high	42 Å²	42	38.8 Å²	38.8	20%	0.196	22%	0.221	C	C	.	.			trans	-67.9	134.2	174.9	178.6	52.6	51.8	0	0	110.7	F34 V43 P64 P65 K66 E70 W73	F34-Q68 VanDerWaalsContact CZ-OE1 3.3Å; V43-Q68 HydrophobicContact CG2-CG 4.37Å; P64-Q68 HydrophobicContact CB-CB 4.27Å; P65-Q68 HydrophobicContact CB-CB 4.37Å; P65-Q68 VanDerWaalsContact O-CB 3.25Å; P65-Q68 WeakPolarHBondContact O-CB 3.41Å; P65-Q68 PolarHBondContact O-N 3.07Å; P65-Q68 VanDerWaalsContact O-N 3.07Å; K66-Q68 PolarHBondContact O-N 3.43Å; Q68-E70 PolarHBondContact O-N 2.97Å; Q68-W73 HydrophobicContact CG-CE3 4.2Å
69	D	92.4	Very high	95.1	Very high	63 Å²	63	39.1 Å²	39.1	34%	0.337	22%	0.221	S	C	.	.			trans	-60.4	124.6	172.8	-179.4	-70	0	0	0	111	A71 V72 W73	D69-A71 WeakPolarHBondContact OD1-CA 3.36Å; D69-A71 VanDerWaalsContact OD1-CB 3.27Å; D69-A71 WeakPolarHBondContact OD1-CB 3.45Å; D69-A71 PolarHBondContact OD1-N 3.34Å; D69-V72 HydrophobicContact CB-CB 4.2Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 3.24Å; D69-V72 WeakPolarHBondContact OD1-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.47Å; D69-W73 WeakPolarHBondContact O-CB 3.17Å; D69-W73 PolarHBondContact O-N 2.91Å
70	E	93.2	Very high	95.2	Very high	102 Å²	102	34.7 Å²	34.7	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-70	-32.8	-175.8	-161.6	-170.8	92.4	0	0	112.4	Q68 W73 K74 F202	Q68-E70 PolarHBondContact O-N 2.97Å; E70-W73 WeakPolarHBondContact O-CB 3.42Å; E70-W73 PolarHBondContact O-N 3.27Å; E70-K74 VanDerWaalsContact O-CG 3.31Å; E70-K74 WeakPolarHBondContact O-CG 3.5Å; E70-K74 PolarHBondContact O-N 3.05Å; E70-K74 WeakPolarHBondContact OE1-CE 3.23Å; E70-K74 IonicContact OE1-NZ 2.97Å; E70-K74 PolarHBondContact OE1-NZ 3.07Å; E70-F202 HydrophobicContact CG-CD1 4.25Å; E70-F202 HydrophobicContact CG-CE1 4.05Å
71	A	92.9	Very high	95.3	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-42.7	178.1	0	0	0	0	0	111.1	D69 C75 I152 V157	D69-A71 WeakPolarHBondContact OD1-CA 3.36Å; D69-A71 VanDerWaalsContact OD1-CB 3.27Å; D69-A71 WeakPolarHBondContact OD1-CB 3.45Å; D69-A71 PolarHBondContact OD1-N 3.34Å; A71-C75 WeakPolarHBondContact O-CB 3.24Å; A71-C75 PolarHBondContact O-N 3.11Å; A71-C75 PolarHBondContact O-SG 3.17Å; A71-I152 HydrophobicContact CB-CB 3.84Å; A71-I152 HydrophobicContact CB-CG2 4.06Å; A71-V157 HydrophobicContact CB-CG2 3.43Å; A71-V157 VanDerWaalsContact CB-CG2 3.43Å
72	V	93.3	Very high	95.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-47.8	170	176.1	0	0	0	0	110.3	V43 D69 K74 C75 E76 R149 I150 I152	V43-V72 HydrophobicContact CB-CG1 4.32Å; V43-V72 HydrophobicContact CG1-CG1 4.38Å; V43-V72 HydrophobicContact CG2-CG1 3.92Å; D69-V72 HydrophobicContact CB-CB 4.2Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 3.24Å; D69-V72 WeakPolarHBondContact OD1-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.47Å; V72-K74 PolarHBondContact O-N 2.86Å; V72-C75 PolarHBondContact O-N 3.34Å; V72-E76 HydrophobicContact CG1-CG 4.2Å; V72-E76 PolarHBondContact O-N 3.23Å; V72-R149 VanDerWaalsContact CG1-O 3.27Å; V72-R149 WeakPolarHBondContact CG1-O 3.25Å; V72-I150 WeakPolarHBondContact CG2-O 3.48Å; V72-I152 HydrophobicContact CB-CG1 4.3Å; V72-I152 HydrophobicContact CG2-CB 4.4Å; V72-I152 HydrophobicContact CG2-CG1 3.68Å
73	W	95.6	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-48.3	-179.9	-172.4	-111	0	0	0	112.5	V43 Y46 I47 I61 L62 T63 P64 P65 Q68 D69 E70 H77 F202	V43-W73 HydrophobicContact CG1-CE3 3.66Å; V43-W73 HydrophobicContact CG1-CZ3 4.01Å; Y46-W73 AromaticContact CD1-CH2 3.85Å; Y46-W73 HydrophobicContact CD1-CH2 3.85Å; Y46-W73 AromaticContact CD1-CZ3 3.95Å; Y46-W73 HydrophobicContact CD1-CZ3 3.95Å; Y46-W73 AromaticContact CE1-CH2 3.99Å; Y46-W73 HydrophobicContact CE1-CH2 3.99Å; Y46-W73 HydrophobicContact CE1-CZ3 4.44Å; I47-W73 HydrophobicContact CD1-CE3 4.49Å; I47-W73 HydrophobicContact CD1-CZ3 4.35Å; I47-W73 HydrophobicContact CG1-CH2 4.05Å; I47-W73 HydrophobicContact CG1-CZ3 3.94Å; I61-W73 VanDerWaalsContact O-CZ2 3.27Å; I61-W73 WeakPolarHBondContact O-CZ2 3.43Å; L62-W73 PolarHBondContact O-NE1 3.37Å; T63-W73 VanDerWaalsContact C-CZ2 3.5Å; T63-W73 WeakPolarHBondContact O-CZ2 3.28Å; P64-W73 HydrophobicContact CB-CD2 3.75Å; P64-W73 HydrophobicContact CB-CE3 4.17Å; P64-W73 HydrophobicContact CB-CG 3.97Å; P64-W73 HydrophobicContact CB-CZ2 4.21Å; P65-W73 HydrophobicContact CG-CZ3 4.44Å; Q68-W73 HydrophobicContact CG-CE3 4.2Å; D69-W73 WeakPolarHBondContact O-CB 3.17Å; D69-W73 PolarHBondContact O-N 2.91Å; E70-W73 WeakPolarHBondContact O-CB 3.42Å; E70-W73 PolarHBondContact O-N 3.27Å; W73-H77 AromaticContact CD1-ND1 3.97Å; W73-H77 AromaticContact CD2-CE1 3.82Å; W73-H77 AromaticContact CD2-ND1 3.76Å; W73-H77 AromaticContact CE2-CE1 3.24Å; W73-H77 AromaticContact CE2-ND1 3.57Å; W73-H77 AromaticContact CH2-CE1 3.74Å; W73-H77 AromaticContact CZ2-CE1 3.25Å; W73-H77 WeakPolarHBondContact CZ2-CE1 3.34Å; W73-H77 AromaticContact NE1-CE1 3.6Å; W73-H77 AromaticContact NE1-ND1 3.68Å; W73-H77 WeakPolarHBondContact O-CB 3.33Å; W73-H77 PolarHBondContact O-N 2.97Å; W73-H77 PolarHBondContact O-ND1 2.87Å; W73-H77 VanDerWaalsContact O-ND1 3.12Å; W73-F202 AromaticContact CD1-CZ 3.49Å; W73-F202 VanDerWaalsContact CD1-CZ 3.49Å; W73-F202 AromaticContact NE1-CZ 3.63Å
74	K	95.5	Very high	95.2	Very high	23 Å²	23	36.4 Å²	36.4	10%	0.1	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-43.5	176.5	-70.1	175.1	-167.4	-177.8	0	112	E70 V72 L78 V157 L160 F198 F202 L204	E70-K74 VanDerWaalsContact O-CG 3.31Å; E70-K74 WeakPolarHBondContact O-CG 3.5Å; E70-K74 PolarHBondContact O-N 3.05Å; E70-K74 WeakPolarHBondContact OE1-CE 3.23Å; E70-K74 IonicContact OE1-NZ 2.97Å; E70-K74 PolarHBondContact OE1-NZ 3.07Å; V72-K74 PolarHBondContact O-N 2.86Å; K74-L78 WeakPolarHBondContact O-CB 3.46Å; K74-L78 PolarHBondContact O-N 2.94Å; K74-V157 HydrophobicContact CD-CG1 3.98Å; K74-L160 HydrophobicContact CB-CD1 3.67Å; K74-F198 HydrophobicContact CB-CE2 4.48Å; K74-F198 HydrophobicContact CB-CZ 4.15Å; K74-F198 HydrophobicContact CG-CE2 4.38Å; K74-F198 HydrophobicContact CG-CZ 4.35Å; K74-F202 HydrophobicContact CD-CB 4.27Å; K74-F202 HydrophobicContact CD-CD1 4.49Å; K74-F202 HydrophobicContact CD-CG 4.48Å; K74-F202 HydrophobicContact CG-CB 4.33Å; K74-F202 HydrophobicContact CG-CD1 4.24Å; K74-F202 HydrophobicContact CG-CG 4.14Å; K74-L204 HydrophobicContact CD-CD2 4.4Å
75	C	94.6	Very high	95.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-46.4	-179.4	-71.5	0	0	0	0	112.1	A71 V72 L78 R79 F146	A71-C75 WeakPolarHBondContact O-CB 3.24Å; A71-C75 PolarHBondContact O-N 3.11Å; A71-C75 PolarHBondContact O-SG 3.17Å; V72-C75 PolarHBondContact O-N 3.34Å; C75-L78 PolarHBondContact O-N 3.42Å; C75-R79 WeakPolarHBondContact O-CG 3.31Å; C75-R79 PolarHBondContact O-N 3.28Å; C75-F146 VanDerWaalsContact SG-CE1 3.55Å
76	E	95.3	Very high	95.4	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-36.8	-179.7	-64.3	-54.8	158.6	0	0	112.2	V43 I47 V72 L78 R79 Q80 R149	V43-E76 HydrophobicContact CB-CG 4.03Å; V43-E76 HydrophobicContact CG1-CB 3.77Å; V43-E76 HydrophobicContact CG1-CG 3.76Å; I47-E76 HydrophobicContact CD1-CB 3.72Å; V72-E76 HydrophobicContact CG1-CG 4.2Å; V72-E76 PolarHBondContact O-N 3.23Å; E76-L78 PolarHBondContact O-N 2.94Å; E76-R79 PolarHBondContact O-N 2.87Å; E76-R79 IonicContact OE1-CZ 3.13Å; E76-R79 IonicContact OE1-NH1 3.99Å; E76-R79 PolarHBondContact OE1-NH1 2.89Å; E76-R79 IonicContact OE2-CZ 3.68Å; E76-R79 IonicContact OE2-NH1 3.31Å; E76-R79 PolarHBondContact OE2-NH1 3.16Å; E76-Q80 WeakPolarHBondContact O-CB 3.19Å; E76-Q80 PolarHBondContact O-N 3.5Å; E76-R149 WeakPolarHBondContact OE1-CD 3.35Å
77	H	97.4	Very high	95.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-47.4	169.9	-92.4	84.4	0	0	0	111.9	I47 I61 W73 R79 Q80 F81 F198	I47-H77 VanDerWaalsContact CD1-CE1 3.46Å; I47-H77 WeakPolarHBondContact CD1-CE1 3.41Å; I47-H77 VanDerWaalsContact CD1-ND1 3.34Å; I47-H77 WeakPolarHBondContact CD1-ND1 2.82Å; I47-H77 VanDerWaalsContact CG1-CE1 3.45Å; I47-H77 WeakPolarHBondContact CG1-CE1 3.24Å; I61-H77 PolarHBondContact O-CE1 3.15Å; I61-H77 PolarHBondContact O-NE2 3.14Å; W73-H77 AromaticContact CD1-ND1 3.97Å; W73-H77 AromaticContact CD2-CE1 3.82Å; W73-H77 AromaticContact CD2-ND1 3.76Å; W73-H77 AromaticContact CE2-CE1 3.24Å; W73-H77 AromaticContact CE2-ND1 3.57Å; W73-H77 AromaticContact CH2-CE1 3.74Å; W73-H77 AromaticContact CZ2-CE1 3.25Å; W73-H77 WeakPolarHBondContact CZ2-CE1 3.34Å; W73-H77 AromaticContact NE1-CE1 3.6Å; W73-H77 AromaticContact NE1-ND1 3.68Å; W73-H77 WeakPolarHBondContact O-CB 3.33Å; W73-H77 PolarHBondContact O-N 2.97Å; W73-H77 PolarHBondContact O-ND1 2.87Å; W73-H77 VanDerWaalsContact O-ND1 3.12Å; H77-R79 VanDerWaalsContact C-N 3.3Å; H77-R79 PolarHBondContact O-N 3.49Å; H77-Q80 WeakPolarHBondContact O-CB 3.38Å; H77-Q80 PolarHBondContact O-N 2.92Å; H77-Q80 VanDerWaalsContact O-N 3.1Å; H77-F81 HydrophobicContact CB-CD2 4.38Å; H77-F81 HydrophobicContact CB-CE2 4.06Å; H77-F81 WeakPolarHBondContact O-CD2 3.47Å; H77-F81 WeakPolarHBondContact O-CG 3.31Å; H77-F81 PolarHBondContact O-N 3.42Å; H77-F198 HydrophobicContact CB-CD2 3.93Å; H77-F198 HydrophobicContact CB-CE2 3.42Å; H77-F198 VanDerWaalsContact CB-CE2 3.42Å; H77-F198 HydrophobicContact CB-CZ 3.8Å; H77-F198 AromaticContact CG-CE2 3.91Å
78	L	96.9	Very high	95.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-35.9	-179.7	-169.6	56.7	0	0	0	112.5	K74 C75 E76 F81 C82 L140 L160 I163 F195	K74-L78 WeakPolarHBondContact O-CB 3.46Å; K74-L78 PolarHBondContact O-N 2.94Å; C75-L78 PolarHBondContact O-N 3.42Å; E76-L78 PolarHBondContact O-N 2.94Å; L78-F81 PolarHBondContact O-N 3.45Å; L78-C82 PolarHBondContact O-N 3Å; L78-C82 PolarHBondContact O-SG 3.28Å; L78-L140 HydrophobicContact CB-CD1 4.41Å; L78-L140 HydrophobicContact CD2-CD1 4.28Å; L78-L140 HydrophobicContact CD2-CD2 4.22Å; L78-L140 HydrophobicContact CG-CD1 3.98Å; L78-L160 HydrophobicContact CD2-CB 4.1Å; L78-L160 HydrophobicContact CD2-CD2 3.7Å; L78-L160 HydrophobicContact CD2-CG 4.43Å; L78-I163 HydrophobicContact CD1-CG2 4.3Å; L78-I163 HydrophobicContact CD2-CB 3.87Å; L78-I163 HydrophobicContact CD2-CD1 4.09Å; L78-I163 HydrophobicContact CD2-CG2 3.74Å; L78-I163 HydrophobicContact CG-CG2 4.24Å; L78-F195 HydrophobicContact CD1-CE2 4.07Å
79	R	95.9	Very high	96.1	Very high	24 Å²	24	22.9 Å²	22.9	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-43.8	171.2	-71.3	-173.4	-165	102.8	3	111.6	C75 E76 H77 C82 M83 L140	C75-R79 WeakPolarHBondContact O-CG 3.31Å; C75-R79 PolarHBondContact O-N 3.28Å; E76-R79 PolarHBondContact O-N 2.87Å; E76-R79 IonicContact OE1-CZ 3.13Å; E76-R79 IonicContact OE1-NH1 3.99Å; E76-R79 PolarHBondContact OE1-NH1 2.89Å; E76-R79 IonicContact OE2-CZ 3.68Å; E76-R79 IonicContact OE2-NH1 3.31Å; E76-R79 PolarHBondContact OE2-NH1 3.16Å; H77-R79 VanDerWaalsContact C-N 3.3Å; H77-R79 PolarHBondContact O-N 3.49Å; R79-C82 PolarHBondContact O-N 3.3Å; R79-M83 WeakPolarHBondContact O-CB 3.45Å; R79-M83 PolarHBondContact O-N 2.89Å; R79-L140 HydrophobicContact CG-CB 3.88Å; R79-L140 HydrophobicContact CG-CD1 3.94Å; R79-L140 HydrophobicContact CG-CG 4.36Å; R79-L140 PolarHBondContact NE-O 2.73Å; R79-L140 PolarHBondContact NH2-O 3.3Å
80	Q	97.7	Very high	96.3	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-46.2	177.2	-177.9	62.8	29.7	0	0	111.2	I47 E76 H77 C82 M83 E84	I47-Q80 HydrophobicContact CG2-CB 4.16Å; I47-Q80 HydrophobicContact CG2-CG 3.78Å; E76-Q80 WeakPolarHBondContact O-CB 3.19Å; E76-Q80 PolarHBondContact O-N 3.5Å; H77-Q80 WeakPolarHBondContact O-CB 3.38Å; H77-Q80 PolarHBondContact O-N 2.92Å; H77-Q80 VanDerWaalsContact O-N 3.1Å; Q80-C82 PolarHBondContact O-N 3.06Å; Q80-M83 WeakPolarHBondContact O-CB 3.42Å; Q80-M83 PolarHBondContact O-N 2.96Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.02Å; Q80-E84 PolarHBondContact NE2-OE1 3.26Å; Q80-E84 PolarHBondContact O-N 3.41Å
81	F	98.2	Very high	96.5	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-46.3	175.1	-71.5	-59.6	0	0	0	112.5	H77 L78 M83 E84 L85 L191 R194 F195 F198	H77-F81 HydrophobicContact CB-CD2 4.38Å; H77-F81 HydrophobicContact CB-CE2 4.06Å; H77-F81 WeakPolarHBondContact O-CD2 3.47Å; H77-F81 WeakPolarHBondContact O-CG 3.31Å; H77-F81 PolarHBondContact O-N 3.42Å; L78-F81 PolarHBondContact O-N 3.45Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.39Å; F81-E84 PolarHBondContact O-N 3.21Å; F81-L85 WeakPolarHBondContact O-CB 3.48Å; F81-L85 PolarHBondContact O-N 3.15Å; F81-L191 HydrophobicContact CD1-CD1 3.64Å; F81-L191 HydrophobicContact CD1-CG 4.37Å; F81-L191 HydrophobicContact CE1-CD1 4.15Å; F81-R194 HydrophobicContact CE1-CB 3.79Å; F81-R194 HydrophobicContact CZ-CB 4.15Å; F81-F195 HydrophobicContact CB-CD2 3.99Å; F81-F195 HydrophobicContact CB-CE2 4.45Å; F81-F195 HydrophobicContact CD1-CB 4Å; F81-F195 AromaticContact CD1-CD2 3.91Å; F81-F195 HydrophobicContact CD1-CD2 3.91Å; F81-F195 HydrophobicContact CD1-CG 4.47Å; F81-F195 AromaticContact CD2-CD2 3.77Å; F81-F195 HydrophobicContact CD2-CD2 3.77Å; F81-F195 HydrophobicContact CD2-CE2 4.35Å; F81-F195 HydrophobicContact CE1-CB 3.85Å; F81-F195 HydrophobicContact CE1-CD2 4.34Å; F81-F195 HydrophobicContact CE2-CD2 4.22Å; F81-F195 AromaticContact CG-CD2 3.63Å; F81-F195 HydrophobicContact CG-CD2 3.63Å; F81-F195 HydrophobicContact CG-CE2 4.4Å; F81-F195 HydrophobicContact CZ-CB 4.28Å; F81-F198 HydrophobicContact CD2-CD1 4.18Å; F81-F198 HydrophobicContact CD2-CE1 4.46Å; F81-F198 HydrophobicContact CE2-CB 3.75Å; F81-F198 AromaticContact CE2-CD1 3.6Å; F81-F198 HydrophobicContact CE2-CD1 3.6Å; F81-F198 HydrophobicContact CE2-CD2 4.07Å; F81-F198 HydrophobicContact CE2-CE1 4.18Å; F81-F198 AromaticContact CE2-CG 3.53Å; F81-F198 HydrophobicContact CE2-CG 3.53Å; F81-F198 HydrophobicContact CZ-CB 3.84Å; F81-F198 HydrophobicContact CZ-CD1 4.49Å; F81-F198 HydrophobicContact CZ-CG 4.15Å
82	C	97.5	Very high	96.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-38.7	177.5	-64.9	0	0	0	0	111.6	L78 R79 Q80 N86 V137	L78-C82 PolarHBondContact O-N 3Å; L78-C82 PolarHBondContact O-SG 3.28Å; R79-C82 PolarHBondContact O-N 3.3Å; Q80-C82 PolarHBondContact O-N 3.06Å; C82-N86 PolarHBondContact O-N 2.99Å; C82-N86 PolarHBondContact O-ND2 3.1Å; C82-V137 HydrophobicContact CB-CG2 4.5Å
83	M	96.6	Very high	96.8	Very high	91 Å²	91	27.2 Å²	27.2	45%	0.448	15%	0.151	S	C	.	.	H	α-helix	trans	-64.5	-47.7	177.6	-173.9	-179.5	67.7	0	0	111.5	R79 Q80 F81 N86	R79-M83 WeakPolarHBondContact O-CB 3.45Å; R79-M83 PolarHBondContact O-N 2.89Å; Q80-M83 WeakPolarHBondContact O-CB 3.42Å; Q80-M83 PolarHBondContact O-N 2.96Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.39Å; M83-N86 WeakPolarHBondContact O-CB 3.39Å; M83-N86 PolarHBondContact O-N 2.94Å
84	E	98.1	Very high	96.6	Very high	36 Å²	36	33.8 Å²	33.8	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-34.4	178.8	-68.8	-176.4	-106.9	0	0	112.6	Q80 F81 N86 G87 L191 R194	Q80-E84 WeakPolarHBondContact CG-OE1 3.02Å; Q80-E84 PolarHBondContact NE2-OE1 3.26Å; Q80-E84 PolarHBondContact O-N 3.41Å; F81-E84 PolarHBondContact O-N 3.21Å; E84-N86 PolarHBondContact O-N 3.35Å; E84-G87 WeakPolarHBondContact O-CA 3.43Å; E84-G87 PolarHBondContact O-N 2.91Å; E84-L191 HydrophobicContact CB-CD1 3.59Å; E84-L191 HydrophobicContact CB-CD2 3.71Å; E84-L191 HydrophobicContact CB-CG 4.31Å; E84-L191 HydrophobicContact CG-CD1 4.25Å; E84-R194 VanDerWaalsContact CD-NH2 3.27Å; E84-R194 IonicContact OE1-NH2 2.65Å; E84-R194 PolarHBondContact OE1-NH2 3Å; E84-R194 IonicContact OE2-CZ 2.93Å; E84-R194 IonicContact OE2-NH2 3.96Å; E84-R194 PolarHBondContact OE2-NH2 3.47Å
85	L	97.8	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-23	179.3	-172.5	60	0	0	0	113	F81 G87 L88 A89 L133 V167 I170 F171 L191	F81-L85 WeakPolarHBondContact O-CB 3.48Å; F81-L85 PolarHBondContact O-N 3.15Å; L85-G87 PolarHBondContact O-N 3.37Å; L85-L88 HydrophobicContact CD1-CB 4.01Å; L85-L88 HydrophobicContact CD1-CD2 3.77Å; L85-L88 HydrophobicContact CD1-CG 4.43Å; L85-L88 PolarHBondContact O-N 3.47Å; L85-L88 VanDerWaalsContact O-N 3.16Å; L85-A89 PolarHBondContact O-N 3.5Å; L85-L133 HydrophobicContact CB-CD2 4.17Å; L85-L133 HydrophobicContact CD2-CD2 3.89Å; L85-L133 HydrophobicContact CG-CD2 4.08Å; L85-V167 HydrophobicContact CD2-CG1 3.69Å; L85-I170 HydrophobicContact CD1-CG2 4.08Å; L85-I170 HydrophobicContact CD2-CB 4.18Å; L85-I170 HydrophobicContact CD2-CD1 3.84Å; L85-I170 HydrophobicContact CD2-CG2 4.18Å; L85-I170 HydrophobicContact CG-CG2 4.33Å; L85-F171 HydrophobicContact CD1-CD1 4.23Å; L85-F171 HydrophobicContact CD1-CE1 3.67Å; L85-F171 HydrophobicContact CD1-CE2 4.41Å; L85-F171 HydrophobicContact CD1-CZ 3.77Å; L85-F171 HydrophobicContact CD2-CE2 4.44Å; L85-F171 HydrophobicContact CD2-CZ 4.45Å; L85-L191 HydrophobicContact CB-CD2 4.14Å; L85-L191 HydrophobicContact CD1-CD2 4.35Å
86	N	96.7	Very high	96.6	Very high	67 Å²	67	37.9 Å²	37.9	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-31.2	168	-75.1	-65.2	0	0	0	111.9	C82 M83 E84 A89 V90	C82-N86 PolarHBondContact O-N 2.99Å; C82-N86 PolarHBondContact O-ND2 3.1Å; M83-N86 WeakPolarHBondContact O-CB 3.39Å; M83-N86 PolarHBondContact O-N 2.94Å; E84-N86 PolarHBondContact O-N 3.35Å; N86-A89 PolarHBondContact O-N 2.84Å; N86-V90 WeakPolarHBondContact O-CG2 3.45Å; N86-V90 PolarHBondContact O-N 3.12Å
87	G	96.5	Very high	96.6	Very high	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-46.5	174.4	0	0	0	0	0	112	E84 L85 V90 L91	E84-G87 WeakPolarHBondContact O-CA 3.43Å; E84-G87 PolarHBondContact O-N 2.91Å; L85-G87 PolarHBondContact O-N 3.37Å; G87-V90 PolarHBondContact O-N 3.01Å; G87-L91 WeakPolarHBondContact O-CG 3.25Å; G87-L91 PolarHBondContact O-N 3.45Å; G87-L91 VanDerWaalsContact O-N 3.16Å
88	L	97.8	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.4	-179.1	59.6	0	0	0	111.5	L85 V90 L91 L92 F171 A174 V181 F185	L85-L88 HydrophobicContact CD1-CB 4.01Å; L85-L88 HydrophobicContact CD1-CD2 3.77Å; L85-L88 HydrophobicContact CD1-CG 4.43Å; L85-L88 PolarHBondContact O-N 3.47Å; L85-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.25Å; L88-V90 PolarHBondContact O-N 2.89Å; L88-L91 PolarHBondContact O-N 2.96Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L88-L92 HydrophobicContact CD1-CG 4.33Å; L88-L92 HydrophobicContact CG-CD1 4.12Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.34Å; L88-F171 HydrophobicContact CD2-CD1 4.27Å; L88-F171 HydrophobicContact CD2-CE1 4.44Å; L88-A174 HydrophobicContact CD2-CB 3.95Å; L88-V181 HydrophobicContact CD1-CG1 4Å; L88-F185 HydrophobicContact CB-CD1 3.94Å; L88-F185 HydrophobicContact CB-CD2 4.22Å; L88-F185 HydrophobicContact CB-CE1 3.8Å; L88-F185 HydrophobicContact CB-CE2 4.1Å; L88-F185 HydrophobicContact CB-CG 4.14Å; L88-F185 HydrophobicContact CB-CZ 3.88Å; L88-F185 HydrophobicContact CD1-CB 3.92Å; L88-F185 HydrophobicContact CD1-CD1 4.05Å; L88-F185 HydrophobicContact CD1-CG 3.9Å; L88-F185 HydrophobicContact CD2-CD1 4.29Å; L88-F185 HydrophobicContact CG-CD1 4.31Å
89	A	97.4	Very high	96.5	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-38.6	177.6	0	0	0	0	0	111.9	L85 N86 L92 L93 I129 L133	L85-A89 PolarHBondContact O-N 3.5Å; N86-A89 PolarHBondContact O-N 2.84Å; A89-L92 PolarHBondContact O-N 3.03Å; A89-L93 PolarHBondContact O-N 3.45Å; A89-I129 HydrophobicContact CB-CG2 3.75Å; A89-L133 HydrophobicContact CB-CD1 3.83Å
90	V	97.3	Very high	96.4	Very high	91 Å²	91	52.2 Å²	52.2	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-66.1	-44.1	174.7	170.3	0	0	0	0	111.7	N86 G87 L88 L92 L93	N86-V90 WeakPolarHBondContact O-CG2 3.45Å; N86-V90 PolarHBondContact O-N 3.12Å; G87-V90 PolarHBondContact O-N 3.01Å; L88-V90 VanDerWaalsContact C-N 3.25Å; L88-V90 PolarHBondContact O-N 2.89Å; V90-L92 VanDerWaalsContact C-N 3.27Å; V90-L92 PolarHBondContact O-N 3.28Å; V90-L93 WeakPolarHBondContact O-CB 3.4Å; V90-L93 PolarHBondContact O-N 3.26Å; V90-L93 VanDerWaalsContact O-N 3.15Å
91	L	97.2	Very high	96.4	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-34.6	177.1	-65.5	174.4	0	0	0	112.4	G87 L88 L93 V181 F185	G87-L91 WeakPolarHBondContact O-CG 3.25Å; G87-L91 PolarHBondContact O-N 3.45Å; G87-L91 VanDerWaalsContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 2.96Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 3.2Å; L91-V181 HydrophobicContact CB-CG1 3.63Å; L91-V181 HydrophobicContact CD1-CG1 4.46Å; L91-F185 HydrophobicContact CD1-CB 4.11Å; L91-F185 HydrophobicContact CD1-CD2 3.7Å; L91-F185 HydrophobicContact CD1-CG 4.32Å
92	L	97.7	Very high	96.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-25.1	176.6	-71.7	171.4	0	0	0	112.6	L88 A89 V90 D94 E95 C96 I129 A174 H178 V181	L88-L92 HydrophobicContact CD1-CG 4.33Å; L88-L92 HydrophobicContact CG-CD1 4.12Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.34Å; A89-L92 PolarHBondContact O-N 3.03Å; V90-L92 VanDerWaalsContact C-N 3.27Å; V90-L92 PolarHBondContact O-N 3.28Å; L92-D94 PolarHBondContact O-N 3.23Å; L92-D94 VanDerWaalsContact O-N 3.11Å; L92-E95 PolarHBondContact O-N 3.11Å; L92-E95 VanDerWaalsContact O-N 3.14Å; L92-C96 HydrophobicContact CB-CB 4.08Å; L92-C96 WeakPolarHBondContact O-CA 3.35Å; L92-C96 WeakPolarHBondContact O-CB 3.35Å; L92-C96 PolarHBondContact O-N 3.38Å; L92-I129 HydrophobicContact CD1-CD1 3.81Å; L92-A174 HydrophobicContact CD1-CB 4.24Å; L92-A174 HydrophobicContact CD2-CB 4.41Å; L92-H178 HydrophobicContact CD2-CB 3.54Å; L92-V181 HydrophobicContact CD2-CB 4.45Å; L92-V181 HydrophobicContact CD2-CG1 4.1Å; L92-V181 HydrophobicContact CG-CG1 4.45Å
93	L	94.8	Very high	96.3	Very high	107 Å²	107	59.8 Å²	59.8	56%	0.56	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.7	-178.8	-72.8	168.9	0	0	0	113.6	A89 V90 L91 E95 I126	A89-L93 PolarHBondContact O-N 3.45Å; V90-L93 WeakPolarHBondContact O-CB 3.4Å; V90-L93 PolarHBondContact O-N 3.26Å; V90-L93 VanDerWaalsContact O-N 3.15Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 3.2Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-I126 HydrophobicContact CD2-CD1 3.62Å; L93-I126 HydrophobicContact CD2-CG1 3.69Å; L93-I126 HydrophobicContact CG-CD1 4.26Å
94	D	92.2	Very high	96.3	Very high	139 Å²	139	55.5 Å²	55.5	74%	0.743	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.9	-178.7	-67.8	-23.7	0	0	0	112.7	L92	L92-D94 PolarHBondContact O-N 3.23Å; L92-D94 VanDerWaalsContact O-N 3.11Å
95	E	93.9	Very high	96.2	Very high	106 Å²	106	54.4 Å²	54.4	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-17.6	-173.9	-60.8	-175.2	175.7	0	0	114.5	L92 L93	L92-E95 PolarHBondContact O-N 3.11Å; L92-E95 VanDerWaalsContact O-N 3.14Å; L93-E95 VanDerWaalsContact C-N 3.33Å
96	C	96.5	Very high	96	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	32%	0.316	C	S	.	.			trans	-102.1	88.2	-178.9	-168.7	0	0	0	0	109.7	L92 H178	L92-C96 HydrophobicContact CB-CB 4.08Å; L92-C96 WeakPolarHBondContact O-CA 3.35Å; L92-C96 WeakPolarHBondContact O-CB 3.35Å; L92-C96 PolarHBondContact O-N 3.38Å; C96-H178 WeakPolarHBondContact CB-NE2 3.47Å; C96-H178 PolarHBondContact SG-NE2 2.94Å; C96-H178 VanDerWaalsContact SG-NE2 3.43Å
97	D	95.2	Very high	95.7	Very high	60 Å²	60	53.6 Å²	53.6	32%	0.321	31%	0.312	S	S	.	.			trans	-113.1	165.5	175.8	76.4	65.9	0	0	0	112	T99 V100 C101	D97-T99 PolarHBondContact O-N 3.39Å; D97-T99 WeakPolarHBondContact OD1-CA 3.48Å; D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.49Å; D97-T99 PolarHBondContact OD1-N 2.63Å; D97-T99 PolarHBondContact OD1-OG1 3.02Å; D97-V100 PolarHBondContact O-N 3.26Å; D97-V100 VanDerWaalsContact O-N 3.08Å; D97-V100 PolarHBondContact OD1-N 2.7Å; D97-V100 WeakPolarHBondContact OD2-CG2 3.41Å; D97-C101 PolarHBondContact O-N 2.64Å
98	P	96.1	Very high	95.2	Very high	68 Å²	68	62 Å²	62	44%	0.442	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-18.2	-179.2	-31.5	40.2	0	0	0	116.5	T102 T124 I126	P98-T102 WeakPolarHBondContact O-CA 3.36Å; P98-T102 WeakPolarHBondContact O-CG2 3.27Å; P98-T124 HydrophobicContact CB-CG2 3.65Å; P98-T124 HydrophobicContact CG-CG2 4.16Å; P98-I126 HydrophobicContact CG-CG2 4.34Å
99	T	95	Very high	94.7	Very high	117 Å²	117	69.2 Å²	69.2	72%	0.718	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-30	177.4	75.2	0	0	0	0	112.5	D97	D97-T99 PolarHBondContact O-N 3.39Å; D97-T99 WeakPolarHBondContact OD1-CA 3.48Å; D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.49Å; D97-T99 PolarHBondContact OD1-N 2.63Å; D97-T99 PolarHBondContact OD1-OG1 3.02Å
100	V	95.1	Very high	94.3	Very high	87 Å²	87	74.6 Å²	74.6	53%	0.527	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-49.5	177.1	179.2	0	0	0	0	110.7	D97	D97-V100 PolarHBondContact O-N 3.26Å; D97-V100 VanDerWaalsContact O-N 3.08Å; D97-V100 PolarHBondContact OD1-N 2.7Å; D97-V100 WeakPolarHBondContact OD2-CG2 3.41Å
101	C	96.9	Very high	94.1	Very high	13 Å²	13	73.7 Å²	73.7	9%	0.088	39%	0.385	C	S	.	.			trans	-117.2	71.9	-179.2	-63.7	0	0	0	0	110.4	D97 Q103 A125 H178	D97-C101 PolarHBondContact O-N 2.64Å; C101-Q103 PolarHBondContact O-N 3.05Å; C101-Q103 VanDerWaalsContact O-N 3.09Å; C101-A125 HydrophobicContact CB-CB 3.56Å; C101-A125 PolarHBondContact O-N 2.87Å; C101-H178 PolarHBondContact SG-NE2 3.35Å
102	T	96.3	Very high	94.1	Very high	90 Å²	90	72.7 Å²	72.7	55%	0.552	38%	0.377	S	S	*	.			trans	-58.6	-22.7	-177.7	56.7	0	0	0	0	113.6	P98 T124	P98-T102 WeakPolarHBondContact O-CA 3.36Å; P98-T102 WeakPolarHBondContact O-CG2 3.27Å; T102-T124 WeakPolarHBondContact O-CA 3.49Å
103	Q	96.4	Very high	94.1	Very high	73 Å²	73	75.8 Å²	75.8	34%	0.341	39%	0.393	S	S	.	.	S	Bend	trans	-143.1	150.3	-179.6	60.8	-170.1	-11.2	0	0	111.8	C101 A105 I111 C123	C101-Q103 PolarHBondContact O-N 3.05Å; C101-Q103 VanDerWaalsContact O-N 3.09Å; Q103-A105 PolarHBondContact O-N 3.36Å; Q103-I111 HydrophobicContact CB-CG2 4.3Å; Q103-C123 CarbonylContact C-O 3.57Å; Q103-C123 WeakPolarHBondContact CA-O 3.29Å
104	M	97.9	Very high	94.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.367	C	S	.	.			trans	-76.2	101.3	173	-174.6	70.5	-178.9	0	0	110.9	Y112 C123 A125 Y128 I129 R169 I170 H173	M104-Y112 HydrophobicContact CE-CD2 4.44Å; M104-Y112 HydrophobicContact CG-CD2 4.01Å; M104-Y112 PolarHBondContact O-N 3.37Å; M104-C123 PolarHBondContact N-O 3.28Å; M104-A125 HydrophobicContact SD-CB 3.94Å; M104-Y128 HydrophobicContact CB-CD1 4.25Å; M104-Y128 HydrophobicContact CB-CD2 3.73Å; M104-Y128 HydrophobicContact CB-CE2 4.47Å; M104-Y128 HydrophobicContact CB-CG 3.62Å; M104-Y128 HydrophobicContact CE-CD1 3.67Å; M104-Y128 HydrophobicContact CE-CE1 3.87Å; M104-Y128 HydrophobicContact CE-CG 4.5Å; M104-Y128 HydrophobicContact CG-CD1 3.47Å; M104-Y128 VanDerWaalsContact CG-CD1 3.47Å; M104-Y128 HydrophobicContact CG-CD2 3.68Å; M104-Y128 HydrophobicContact CG-CE1 3.95Å; M104-Y128 HydrophobicContact CG-CE2 4.11Å; M104-Y128 HydrophobicContact CG-CG 3.36Å; M104-Y128 HydrophobicContact SD-CD1 3.6Å; M104-Y128 VanDerWaalsContact SD-CD1 3.6Å; M104-Y128 HydrophobicContact SD-CE1 4.32Å; M104-Y128 HydrophobicContact SD-CG 3.89Å; M104-I129 HydrophobicContact SD-CG1 4.48Å; M104-R169 HydrophobicContact CE-CB 4.03Å; M104-R169 WeakPolarHBondContact CE-O 3.48Å; M104-I170 HydrophobicContact CE-CG1 4.41Å; M104-H173 HydrophobicContact CE-CB 3.55Å; M104-H173 HydrophobicContact SD-CB 4.08Å
105	A	96.3	Very high	94.3	Very high	13 Å²	13	65.3 Å²	65.3	11%	0.107	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.7	173.8	0	0	0	0	0	110.8	Q103 W110 H173 N177	Q103-A105 PolarHBondContact O-N 3.36Å; A105-W110 WeakPolarHBondContact CB-O 3.23Å; A105-H173 PolarHBondContact O-ND1 2.76Å; A105-N177 PolarHBondContact O-ND2 2.83Å
106	A	92.3	Very high	94.4	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-42.2	169.9	0	0	0	0	0	111.2	Y112 F176 I211	A106-Y112 HydrophobicContact CB-CE2 3.85Å; A106-F176 HydrophobicContact CB-CD2 4.03Å; A106-F176 WeakPolarHBondContact O-CB 3.37Å; A106-F176 WeakPolarHBondContact O-CG 3.44Å; A106-I211 HydrophobicContact CB-CD1 3.85Å
107	T	90.5	Very high	94.3	Very high	48 Å²	48	65.2 Å²	65.2	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	165.9	174.9	66.6	0	0	0	0	109.3	Q109	T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 VanDerWaalsContact O-N 3.11Å
108	E	85.4	Confident	94.1	Very high	210 Å²	210	72.8 Å²	72.8	98%	0.981	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-9.4	178.2	-61.5	-179.1	174.6	0	0	113.7
109	Q	87.4	Confident	94.1	Very high	151 Å²	151	73.6 Å²	73.6	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-34.5	-175.4	-64.3	-178.8	-30.2	0	0	113	T107	T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 VanDerWaalsContact O-N 3.11Å
110	W	89.5	Confident	94.2	Very high	127 Å²	127	71.1 Å²	71.1	48%	0.481	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.4	-168	-55.8	106.6	0	0	0	112.6	A105 L244	A105-W110 WeakPolarHBondContact CB-O 3.23Å; W110-L244 WeakPolarHBondContact CZ3-O 3.48Å
111	I	94.4	Very high	94.2	Very high	71 Å²	71	73.8 Å²	73.8	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.9	173.8	-57.9	156.4	0	0	0	108.8	Q103 E122	Q103-I111 HydrophobicContact CB-CG2 4.3Å; I111-E122 HydrophobicContact CG2-CG 4.34Å
112	Y	96.2	Very high	94.2	Very high	42 Å²	42	79 Å²	79	17%	0.165	40%	0.399	C	S	.	.			trans	-91.6	112.5	174.8	-58.1	-48.3	0	0	0	110.9	M104 A106 R169	M104-Y112 HydrophobicContact CE-CD2 4.44Å; M104-Y112 HydrophobicContact CG-CD2 4.01Å; M104-Y112 PolarHBondContact O-N 3.37Å; A106-Y112 HydrophobicContact CB-CE2 3.85Å; Y112-R169 HydrophobicContact CD1-CG 3.98Å; Y112-R169 HydrophobicContact CD2-CB 3.72Å; Y112-R169 HydrophobicContact CD2-CG 3.68Å; Y112-R169 HydrophobicContact CE1-CG 3.95Å; Y112-R169 HydrophobicContact CE2-CB 3.74Å; Y112-R169 HydrophobicContact CE2-CG 3.62Å; Y112-R169 HydrophobicContact CG-CB 4.31Å; Y112-R169 HydrophobicContact CG-CG 3.86Å
113	L	96.9	Very high	94.3	Very high	64 Å²	64	75.3 Å²	75.3	34%	0.335	38%	0.377	S	S	.	.			trans	-72.2	137.1	174.3	-57.9	-179.1	0	0	0	111.6	P120 E122	L113-P120 HydrophobicContact CB-CB 3.91Å; L113-P120 HydrophobicContact CD1-CB 4.32Å; L113-E122 HydrophobicContact CD2-CG 3.8Å
114	C	97.5	Very high	94.4	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.014	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-82.8	118.8	-179.5	-169.1	0	0	0	0	111.4	A116 P120 R121 C123 Y128	C114-A116 VanDerWaalsContact C-N 3.33Å; C114-A116 PolarHBondContact O-N 2.89Å; C114-P120 WeakPolarHBondContact O-CA 3.2Å; C114-R121 WeakPolarHBondContact CB-O 3.31Å; C114-R121 PolarHBondContact N-O 3.15Å; C114-R121 PolarHBondContact O-N 3.39Å; C114-C123 HydrophobicContact CB-CB 4.09Å; C114-C123 VanDerWaalsContact CB-SG 3.52Å; C114-Y128 HydrophobicContact CB-CD2 3.72Å; C114-Y128 HydrophobicContact CB-CE2 4.16Å
115	A	95	Very high	94.4	Very high	25 Å²	25	72.9 Å²	72.9	21%	0.207	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6.3	-179.4	0	0	0	0	0	114.5	H117 R166	A115-H117 PolarHBondContact O-N 3.25Å; A115-R166 VanDerWaalsContact CB-CZ 3.47Å
116	A	94.5	Very high	94.5	Very high	64 Å²	64	73.5 Å²	73.5	53%	0.529	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.7	175.4	0	0	0	0	0	113	C114 H131	C114-A116 VanDerWaalsContact C-N 3.33Å; C114-A116 PolarHBondContact O-N 2.89Å; A116-H131 HydrophobicContact CB-CB 3.71Å
117	H	95	Very high	94.7	Very high	42 Å²	42	76.5 Å²	76.5	19%	0.194	38%	0.383	C	S	.	.	S	Bend	trans	-100.5	161.1	179.9	-53.6	-59.1	0	0	0	111.1	A115 S119 R121 C123 H131	A115-H117 PolarHBondContact O-N 3.25Å; H117-S119 WeakPolarHBondContact CB-O 3.44Å; H117-S119 PolarHBondContact O-N 3.2Å; H117-R121 HydrophobicContact CB-CG 4.06Å; H117-R121 WeakPolarHBondContact CD2-CG 3.24Å; H117-R121 PolarHBondContact CD2-NE 3.27Å; H117-R121 PolarHBondContact CE1-NE 2.92Å; H117-R121 PolarHBondContact CE1-NH2 2.91Å; H117-R121 PolarHBondContact ND1-NE 3.43Å; H117-R121 PolarHBondContact ND1-NH2 3.09Å; H117-R121 PolarHBondContact NE2-NE 2.92Å; H117-R121 VanDerWaalsContact NE2-NE 3.19Å; H117-C123 PolarHBondContact NE2-SG 3.33Å; H117-H131 AromaticContact CE1-CE1 3.72Å; H117-H131 AromaticContact CE1-ND1 3.95Å; H117-H131 AromaticContact NE2-CE1 3.91Å; H117-H131 AromaticContact NE2-ND1 3.82Å
118	K	92.5	Very high	95.1	Very high	219 Å²	219	74.3 Å²	74.3	95%	0.952	37%	0.37	S	S	*	.	S	Bend	trans	-53.2	-40.6	179	-175.6	-179.2	178.2	-175.9	0	112.4
119	S	95	Very high	95.7	Very high	84 Å²	84	64.3 Å²	64.3	59%	0.587	32%	0.323	S	S	*	.	S	Bend	trans	-121.2	136.7	168.2	-57.2	0	0	0	0	108	H117 R121	H117-S119 WeakPolarHBondContact CB-O 3.44Å; H117-S119 PolarHBondContact O-N 3.2Å; S119-R121 PolarHBondContact O-N 3.44Å
120	P	96.2	Very high	96.1	Very high	65 Å²	65	64 Å²	64	42%	0.422	32%	0.315	S	S	.	.			trans	-51.9	132	175.5	-26.5	34.8	0	0	0	111.3	L113 C114	L113-P120 HydrophobicContact CB-CB 3.91Å; L113-P120 HydrophobicContact CD1-CB 4.32Å; C114-P120 WeakPolarHBondContact O-CA 3.2Å
121	R	96.3	Very high	96.5	Very high	143 Å²	143	60 Å²	60	54%	0.54	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-145.8	166	-179.4	64.5	172.2	-169.9	-179.2	7.1	111.2	C114 H117 S119	C114-R121 WeakPolarHBondContact CB-O 3.31Å; C114-R121 PolarHBondContact N-O 3.15Å; C114-R121 PolarHBondContact O-N 3.39Å; H117-R121 HydrophobicContact CB-CG 4.06Å; H117-R121 WeakPolarHBondContact CD2-CG 3.24Å; H117-R121 PolarHBondContact CD2-NE 3.27Å; H117-R121 PolarHBondContact CE1-NE 2.92Å; H117-R121 PolarHBondContact CE1-NH2 2.91Å; H117-R121 PolarHBondContact ND1-NE 3.43Å; H117-R121 PolarHBondContact ND1-NH2 3.09Å; H117-R121 PolarHBondContact NE2-NE 2.92Å; H117-R121 VanDerWaalsContact NE2-NE 3.19Å; S119-R121 PolarHBondContact O-N 3.44Å
122	E	97.5	Very high	96.7	Very high	123 Å²	123	57.3 Å²	57.3	58%	0.575	29%	0.289	S	S	*	.			trans	-65.3	144.8	173.4	-66.8	168.1	-148.2	0	0	111.1	I111 L113	I111-E122 HydrophobicContact CG2-CG 4.34Å; L113-E122 HydrophobicContact CD2-CG 3.8Å
123	C	97.9	Very high	96.8	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.088	28%	0.282	C	S	.	.			trans	-139.9	153.7	171.1	-74.1	0	0	0	0	107.2	Q103 M104 C114 H117 D127	Q103-C123 CarbonylContact C-O 3.57Å; Q103-C123 WeakPolarHBondContact CA-O 3.29Å; M104-C123 PolarHBondContact N-O 3.28Å; C114-C123 HydrophobicContact CB-CB 4.09Å; C114-C123 VanDerWaalsContact CB-SG 3.52Å; H117-C123 PolarHBondContact NE2-SG 3.33Å; C123-D127 HydrophobicContact CB-CB 4.2Å
124	T	97.9	Very high	96.7	Very high	22 Å²	22	56.2 Å²	56.2	14%	0.135	29%	0.286	C	S	.	.			trans	-55.9	153.6	164	69.4	0	0	0	0	109	P98 T102 I126 D127 Y128	P98-T124 HydrophobicContact CB-CG2 3.65Å; P98-T124 HydrophobicContact CG-CG2 4.16Å; T102-T124 WeakPolarHBondContact O-CA 3.49Å; T124-I126 VanDerWaalsContact C-N 3.28Å; T124-I126 PolarHBondContact O-N 3.24Å; T124-D127 PolarHBondContact O-N 3.43Å; T124-D127 VanDerWaalsContact OG1-CB 3.29Å; T124-D127 WeakPolarHBondContact OG1-CB 3.44Å; T124-D127 PolarHBondContact OG1-N 2.88Å; T124-D127 PolarHBondContact OG1-OD2 2.88Å; T124-Y128 WeakPolarHBondContact O-CB 3.35Å; T124-Y128 PolarHBondContact O-N 2.98Å
125	A	98	Very high	96.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-42.4	-176.8	0	0	0	0	0	111.5	C101 M104 D127 Y128 I129 H173	C101-A125 HydrophobicContact CB-CB 3.56Å; C101-A125 PolarHBondContact O-N 2.87Å; M104-A125 HydrophobicContact SD-CB 3.94Å; A125-D127 PolarHBondContact O-N 3.5Å; A125-Y128 WeakPolarHBondContact O-CB 3.25Å; A125-Y128 PolarHBondContact O-N 3.32Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 2.87Å; A125-I129 PolarHBondContact O-N 2.65Å; A125-H173 WeakPolarHBondContact CB-CE1 3.43Å; A125-H173 WeakPolarHBondContact CB-NE2 3.25Å
126	I	97.5	Very high	96.6	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-40.2	-179.9	-161.2	64.1	0	0	0	112.8	L93 P98 T124 I129 R130	L93-I126 HydrophobicContact CD2-CD1 3.62Å; L93-I126 HydrophobicContact CD2-CG1 3.69Å; L93-I126 HydrophobicContact CG-CD1 4.26Å; P98-I126 HydrophobicContact CG-CG2 4.34Å; T124-I126 VanDerWaalsContact C-N 3.28Å; T124-I126 PolarHBondContact O-N 3.24Å; I126-I129 PolarHBondContact O-N 2.95Å; I126-R130 PolarHBondContact O-N 3.04Å
127	D	97.7	Very high	96.6	Very high	66 Å²	66	56.9 Å²	56.9	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-40.6	174.5	-71.9	-38.9	0	0	0	111.1	C123 T124 A125 R130 H131	C123-D127 HydrophobicContact CB-CB 4.2Å; T124-D127 PolarHBondContact O-N 3.43Å; T124-D127 VanDerWaalsContact OG1-CB 3.29Å; T124-D127 WeakPolarHBondContact OG1-CB 3.44Å; T124-D127 PolarHBondContact OG1-N 2.88Å; T124-D127 PolarHBondContact OG1-OD2 2.88Å; A125-D127 PolarHBondContact O-N 3.5Å; D127-R130 PolarHBondContact O-N 3.28Å; D127-H131 VanDerWaalsContact O-CB 3.31Å; D127-H131 WeakPolarHBondContact O-CB 3.46Å; D127-H131 PolarHBondContact O-N 3.08Å; D127-H131 PolarHBondContact O-ND1 3.35Å
128	Y	98.4	Very high	96.5	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-45.5	176.2	-178.5	-75.5	0	0	0	111.5	M104 C114 T124 A125 H131 T132 R169	M104-Y128 HydrophobicContact CB-CD1 4.25Å; M104-Y128 HydrophobicContact CB-CD2 3.73Å; M104-Y128 HydrophobicContact CB-CE2 4.47Å; M104-Y128 HydrophobicContact CB-CG 3.62Å; M104-Y128 HydrophobicContact CE-CD1 3.67Å; M104-Y128 HydrophobicContact CE-CE1 3.87Å; M104-Y128 HydrophobicContact CE-CG 4.5Å; M104-Y128 HydrophobicContact CG-CD1 3.47Å; M104-Y128 VanDerWaalsContact CG-CD1 3.47Å; M104-Y128 HydrophobicContact CG-CD2 3.68Å; M104-Y128 HydrophobicContact CG-CE1 3.95Å; M104-Y128 HydrophobicContact CG-CE2 4.11Å; M104-Y128 HydrophobicContact CG-CG 3.36Å; M104-Y128 HydrophobicContact SD-CD1 3.6Å; M104-Y128 VanDerWaalsContact SD-CD1 3.6Å; M104-Y128 HydrophobicContact SD-CE1 4.32Å; M104-Y128 HydrophobicContact SD-CG 3.89Å; C114-Y128 HydrophobicContact CB-CD2 3.72Å; C114-Y128 HydrophobicContact CB-CE2 4.16Å; T124-Y128 WeakPolarHBondContact O-CB 3.35Å; T124-Y128 PolarHBondContact O-N 2.98Å; A125-Y128 WeakPolarHBondContact O-CB 3.25Å; A125-Y128 PolarHBondContact O-N 3.32Å; Y128-H131 PolarHBondContact O-N 3.46Å; Y128-T132 WeakPolarHBondContact CD1-OG1 3.46Å; Y128-T132 WeakPolarHBondContact CE1-OG1 3.38Å; Y128-T132 VanDerWaalsContact O-CB 3.26Å; Y128-T132 WeakPolarHBondContact O-CB 3.27Å; Y128-T132 PolarHBondContact O-N 3.45Å; Y128-T132 PolarHBondContact O-OG1 2.79Å; Y128-R169 WeakPolarHBondContact OH-CD 3.17Å; Y128-R169 PolarHBondContact OH-NH1 3.09Å
129	I	98	Very high	96.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-52	178.5	-70.8	165.5	0	0	0	109.4	A89 L92 M104 A125 I126 H131 T132 L133 I170	A89-I129 HydrophobicContact CB-CG2 3.75Å; L92-I129 HydrophobicContact CD1-CD1 3.81Å; M104-I129 HydrophobicContact SD-CG1 4.48Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 2.87Å; A125-I129 PolarHBondContact O-N 2.65Å; I126-I129 PolarHBondContact O-N 2.95Å; I129-H131 PolarHBondContact O-N 2.96Å; I129-T132 PolarHBondContact O-N 3.35Å; I129-L133 HydrophobicContact CG2-CD1 3.96Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 2.96Å; I129-I170 HydrophobicContact CD1-CG2 4.31Å; I129-I170 HydrophobicContact CG1-CG1 4.09Å; I129-I170 HydrophobicContact CG1-CG2 3.99Å; I129-I170 HydrophobicContact CG2-CD1 4.28Å; I129-I170 HydrophobicContact CG2-CG2 4.28Å
130	R	97.2	Very high	96.3	Very high	143 Å²	143	46.4 Å²	46.4	54%	0.54	25%	0.245	S	C	.	.	H	α-helix	trans	-56.4	-53.8	177.5	179	177.1	173.5	-93.7	-12.3	111.8	I126 D127 T132 L133 D134	I126-R130 PolarHBondContact O-N 3.04Å; D127-R130 PolarHBondContact O-N 3.28Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.32Å; R130-L133 PolarHBondContact O-N 3.36Å; R130-D134 IonicContact CZ-OD2 3.94Å; R130-D134 IonicContact NE-OD2 2.7Å; R130-D134 IonicContact NH2-OD2 3.81Å; R130-D134 WeakPolarHBondContact O-CB 3.29Å; R130-D134 PolarHBondContact O-N 2.87Å
131	H	97.9	Very high	96	Very high	43 Å²	43	47 Å²	47	20%	0.199	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-37.2	179.5	-70.1	155.3	0	0	0	112.9	A116 H117 D127 Y128 I129 G135	A116-H131 HydrophobicContact CB-CB 3.71Å; H117-H131 AromaticContact CE1-CE1 3.72Å; H117-H131 AromaticContact CE1-ND1 3.95Å; H117-H131 AromaticContact NE2-CE1 3.91Å; H117-H131 AromaticContact NE2-ND1 3.82Å; D127-H131 VanDerWaalsContact O-CB 3.31Å; D127-H131 WeakPolarHBondContact O-CB 3.46Å; D127-H131 PolarHBondContact O-N 3.08Å; D127-H131 PolarHBondContact O-ND1 3.35Å; Y128-H131 PolarHBondContact O-N 3.46Å; I129-H131 PolarHBondContact O-N 2.96Å; H131-G135 PolarHBondContact O-N 3.33Å
132	T	97.5	Very high	95.7	Very high	15 Å²	15	43 Å²	43	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-45.8	179.4	-64.5	0	0	0	0	111.4	Y128 I129 R130 A136 R166 I170	Y128-T132 WeakPolarHBondContact CD1-OG1 3.46Å; Y128-T132 WeakPolarHBondContact CE1-OG1 3.38Å; Y128-T132 VanDerWaalsContact O-CB 3.26Å; Y128-T132 WeakPolarHBondContact O-CB 3.27Å; Y128-T132 PolarHBondContact O-N 3.45Å; Y128-T132 PolarHBondContact O-OG1 2.79Å; I129-T132 PolarHBondContact O-N 3.35Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.32Å; T132-A136 VanDerWaalsContact O-CB 3.27Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 3.29Å; T132-R166 HydrophobicContact CG2-CB 3.72Å; T132-I170 HydrophobicContact CG2-CD1 3.85Å
133	L	97.6	Very high	95.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-46.6	178.7	-70.3	173.5	0	0	0	111.4	L85 A89 I129 R130 G135 A136 V137 I170	L85-L133 HydrophobicContact CB-CD2 4.17Å; L85-L133 HydrophobicContact CD2-CD2 3.89Å; L85-L133 HydrophobicContact CG-CD2 4.08Å; A89-L133 HydrophobicContact CB-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CD1 3.96Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 2.96Å; R130-L133 PolarHBondContact O-N 3.36Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.16Å; L133-A136 PolarHBondContact O-N 2.86Å; L133-V137 WeakPolarHBondContact O-CB 3.15Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.21Å; L133-V137 PolarHBondContact O-N 2.9Å; L133-I170 HydrophobicContact CD2-CD1 4.3Å; L133-I170 HydrophobicContact CG-CD1 4.15Å
134	D	96.6	Very high	94.6	Very high	81 Å²	81	48.2 Å²	48.2	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-59.2	-45.4	176	-73.7	-15.3	0	0	0	111	R130 V137 S138	R130-D134 IonicContact CZ-OD2 3.94Å; R130-D134 IonicContact NE-OD2 2.7Å; R130-D134 IonicContact NH2-OD2 3.81Å; R130-D134 WeakPolarHBondContact O-CB 3.29Å; R130-D134 PolarHBondContact O-N 2.87Å; D134-V137 PolarHBondContact O-N 3.45Å; D134-S138 VanDerWaalsContact O-CB 3.23Å; D134-S138 WeakPolarHBondContact O-CB 3.32Å; D134-S138 PolarHBondContact O-N 2.93Å
135	G	95.3	Very high	93.7	Very high	40 Å²	40	51.1 Å²	51.1	41%	0.412	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-42	177.5	0	0	0	0	0	113	H131 L133 L139	H131-G135 PolarHBondContact O-N 3.33Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.16Å; G135-L139 WeakPolarHBondContact O-CB 3.39Å; G135-L139 PolarHBondContact O-N 3.16Å
136	A	95.1	Very high	93.1	Very high	5 Å²	5	51.5 Å²	51.5	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-48.1	177.2	0	0	0	0	0	111.4	T132 L133 S138 L139 L140 I163	T132-A136 VanDerWaalsContact O-CB 3.27Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 3.29Å; L133-A136 PolarHBondContact O-N 2.86Å; A136-S138 PolarHBondContact O-N 3.16Å; A136-L139 PolarHBondContact O-N 3.38Å; A136-L140 WeakPolarHBondContact O-CB 3.35Å; A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.93Å; A136-I163 HydrophobicContact CB-CG2 3.72Å
137	V	93	Very high	92.3	Very high	60 Å²	60	54.6 Å²	54.6	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-45	177.2	171.9	0	0	0	0	110.8	C82 L133 D134 L139 N141	C82-V137 HydrophobicContact CB-CG2 4.5Å; L133-V137 WeakPolarHBondContact O-CB 3.15Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.21Å; L133-V137 PolarHBondContact O-N 2.9Å; D134-V137 PolarHBondContact O-N 3.45Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.15Å; V137-N141 WeakPolarHBondContact CG1-ND2 3.42Å; V137-N141 WeakPolarHBondContact O-CB 3.39Å; V137-N141 PolarHBondContact O-N 3.06Å; V137-N141 VanDerWaalsContact O-N 3.09Å; V137-N141 PolarHBondContact O-ND2 3.27Å
138	S	93.2	Very high	91.8	Very high	79 Å²	79	53.6 Å²	53.6	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-60.3	-43.5	177	-178.9	0	0	0	0	111.5	D134 A136 N142	D134-S138 VanDerWaalsContact O-CB 3.23Å; D134-S138 WeakPolarHBondContact O-CB 3.32Å; D134-S138 PolarHBondContact O-N 2.93Å; A136-S138 PolarHBondContact O-N 3.16Å; S138-N142 WeakPolarHBondContact O-CB 3.43Å; S138-N142 PolarHBondContact O-N 3.45Å; S138-N142 VanDerWaalsContact O-N 3.17Å
139	L	91.9	Very high	91.2	Very high	44 Å²	44	57 Å²	57	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-47.5	-179.9	179.3	53.9	0	0	0	111.8	G135 A136 V137 N141 N142 Y145 F146 K159 I163	G135-L139 WeakPolarHBondContact O-CB 3.39Å; G135-L139 PolarHBondContact O-N 3.16Å; A136-L139 PolarHBondContact O-N 3.38Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.15Å; L139-N141 PolarHBondContact O-N 3.01Å; L139-N142 WeakPolarHBondContact O-CB 3.32Å; L139-N142 PolarHBondContact O-N 2.95Å; L139-N142 VanDerWaalsContact O-N 3.13Å; L139-Y145 HydrophobicContact CD1-CD2 3.73Å; L139-Y145 HydrophobicContact CD1-CE2 4.17Å; L139-Y145 HydrophobicContact CD1-CG 4.27Å; L139-F146 HydrophobicContact CD1-CE2 4.5Å; L139-F146 HydrophobicContact CG-CE2 4.45Å; L139-F146 WeakPolarHBondContact O-CD2 3.38Å; L139-F146 VanDerWaalsContact O-CE2 3.24Å; L139-F146 WeakPolarHBondContact O-CE2 3.47Å; L139-K159 HydrophobicContact CD1-CD 4.29Å; L139-K159 HydrophobicContact CD2-CB 4.5Å; L139-I163 HydrophobicContact CB-CD1 4.5Å; L139-I163 HydrophobicContact CD2-CD1 3.62Å; L139-I163 HydrophobicContact CD2-CG1 3.95Å; L139-I163 HydrophobicContact CG-CD1 4.12Å
140	L	91.8	Very high	90.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-18.2	-177.3	-68.7	167.6	0	0	0	113.7	L78 R79 A136 F146 R149 L160 I163	L78-L140 HydrophobicContact CB-CD1 4.41Å; L78-L140 HydrophobicContact CD2-CD1 4.28Å; L78-L140 HydrophobicContact CD2-CD2 4.22Å; L78-L140 HydrophobicContact CG-CD1 3.98Å; R79-L140 HydrophobicContact CG-CB 3.88Å; R79-L140 HydrophobicContact CG-CD1 3.94Å; R79-L140 HydrophobicContact CG-CG 4.36Å; R79-L140 PolarHBondContact NE-O 2.73Å; R79-L140 PolarHBondContact NH2-O 3.3Å; A136-L140 WeakPolarHBondContact O-CB 3.35Å; A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.93Å; L140-F146 HydrophobicContact CD2-CE2 4.33Å; L140-F146 HydrophobicContact CD2-CZ 4.17Å; L140-R149 PolarHBondContact O-NH1 2.84Å; L140-L160 HydrophobicContact CD2-CD2 3.73Å; L140-I163 HydrophobicContact CD2-CD1 4.04Å; L140-I163 HydrophobicContact CG-CD1 4.06Å
141	N	89.7	Confident	90.2	Very high	77 Å²	77	59 Å²	59	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-0.1	174.8	-66.7	-49.2	0	0	0	113.6	V137 L139 S143 R149	V137-N141 WeakPolarHBondContact CG1-ND2 3.42Å; V137-N141 WeakPolarHBondContact O-CB 3.39Å; V137-N141 PolarHBondContact O-N 3.06Å; V137-N141 VanDerWaalsContact O-N 3.09Å; V137-N141 PolarHBondContact O-ND2 3.27Å; L139-N141 PolarHBondContact O-N 3.01Å; N141-S143 PolarHBondContact O-N 3.43Å; N141-R149 PolarHBondContact OD1-NH1 3.21Å; N141-R149 PolarHBondContact OD1-NH2 3.38Å
142	N	90	Very high	89.7	Confident	59 Å²	59	57.2 Å²	57.2	32%	0.316	33%	0.326	S	S	.	.			trans	-74.8	113.1	179.4	-168.9	-34.5	0	0	0	110.6	S138 L139 K144 Y145 F146	S138-N142 WeakPolarHBondContact O-CB 3.43Å; S138-N142 PolarHBondContact O-N 3.45Å; S138-N142 VanDerWaalsContact O-N 3.17Å; L139-N142 WeakPolarHBondContact O-CB 3.32Å; L139-N142 PolarHBondContact O-N 2.95Å; L139-N142 VanDerWaalsContact O-N 3.13Å; N142-K144 PolarHBondContact O-N 3.36Å; N142-K144 VanDerWaalsContact O-N 3.14Å; N142-K144 WeakPolarHBondContact OD1-CB 3.26Å; N142-K144 PolarHBondContact OD1-N 3.23Å; N142-Y145 HydrophobicContact CB-CD2 4.06Å; N142-Y145 PolarHBondContact O-N 2.79Å; N142-F146 PolarHBondContact O-N 3.01Å
143	S	87.3	Confident	89.1	Confident	89 Å²	89	63.7 Å²	63.7	62%	0.622	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.5	180	58.4	0	0	0	0	114	N141 Y145 P147	N141-S143 PolarHBondContact O-N 3.43Å; S143-Y145 VanDerWaalsContact C-N 3.31Å; S143-Y145 PolarHBondContact O-N 2.84Å; S143-P147 WeakPolarHBondContact O-CA 3.47Å; S143-P147 WeakPolarHBondContact O-CB 3.33Å
144	K	84.8	Confident	88.2	Confident	158 Å²	158	70.1 Å²	70.1	69%	0.687	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-39.2	173.2	-175.2	-178	177.4	-179.6	0	111.9	N142	N142-K144 PolarHBondContact O-N 3.36Å; N142-K144 VanDerWaalsContact O-N 3.14Å; N142-K144 WeakPolarHBondContact OD1-CB 3.26Å; N142-K144 PolarHBondContact OD1-N 3.23Å
145	Y	79.7	Confident	87.5	Confident	82 Å²	82	72.9 Å²	72.9	32%	0.322	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-31	-177.1	-59.9	-69.8	0	0	0	112	L139 N142 S143 P147 A156 K159	L139-Y145 HydrophobicContact CD1-CD2 3.73Å; L139-Y145 HydrophobicContact CD1-CE2 4.17Å; L139-Y145 HydrophobicContact CD1-CG 4.27Å; N142-Y145 HydrophobicContact CB-CD2 4.06Å; N142-Y145 PolarHBondContact O-N 2.79Å; S143-Y145 VanDerWaalsContact C-N 3.31Å; S143-Y145 PolarHBondContact O-N 2.84Å; Y145-P147 WeakPolarHBondContact O-CD 3.41Å; Y145-A156 WeakPolarHBondContact O-CB 3.39Å; Y145-K159 HydrophobicContact CD1-CD 4.2Å
146	F	84.9	Confident	86.9	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.035	38%	0.38	C	S	.	.			trans	-127.7	69.7	-178.4	-56.1	-77.3	0	0	0	110.1	C75 L139 L140 N142 S148 I152 A156 L160	C75-F146 VanDerWaalsContact SG-CE1 3.55Å; L139-F146 HydrophobicContact CD1-CE2 4.5Å; L139-F146 HydrophobicContact CG-CE2 4.45Å; L139-F146 WeakPolarHBondContact O-CD2 3.38Å; L139-F146 VanDerWaalsContact O-CE2 3.24Å; L139-F146 WeakPolarHBondContact O-CE2 3.47Å; L140-F146 HydrophobicContact CD2-CE2 4.33Å; L140-F146 HydrophobicContact CD2-CZ 4.17Å; N142-F146 PolarHBondContact O-N 3.01Å; F146-S148 PolarHBondContact O-N 3.46Å; F146-I152 HydrophobicContact CB-CD1 4.46Å; F146-I152 HydrophobicContact CD1-CD1 3.82Å; F146-I152 HydrophobicContact CD1-CG2 4.09Å; F146-I152 HydrophobicContact CE1-CG2 4.18Å; F146-A156 HydrophobicContact CD1-CB 3.98Å; F146-A156 HydrophobicContact CE1-CB 3.53Å; F146-A156 HydrophobicContact CZ-CB 4.06Å; F146-L160 HydrophobicContact CZ-CD2 4.28Å
147	P	81	Confident	86.3	Confident	90 Å²	90	72 Å²	72	58%	0.584	38%	0.384	S	S	*	.	S	Bend	trans	-68	-24.5	-174.1	27.2	-35.5	0	0	0	113.4	S143 Y145	S143-P147 WeakPolarHBondContact O-CA 3.47Å; S143-P147 WeakPolarHBondContact O-CB 3.33Å; Y145-P147 WeakPolarHBondContact O-CD 3.41Å
148	S	86.6	Confident	85.9	Confident	45 Å²	45	72.8 Å²	72.8	32%	0.315	40%	0.397	S	S	.	.			trans	-131.3	144.8	175.7	177.5	0	0	0	0	109.5	F146 I150 S151 I152	F146-S148 PolarHBondContact O-N 3.46Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact OG-N 3.11Å; S148-S151 PolarHBondContact OG-N 3.38Å; S148-I152 WeakPolarHBondContact O-CD1 3.38Å
149	R	87	Confident	85.7	Confident	75 Å²	75	72.6 Å²	72.6	28%	0.283	39%	0.386	S	S	.	.	S	Bend	trans	-80.4	-18.4	169.8	-69.1	-91.7	-162.1	-108.4	4.6	112.1	V72 E76 L140 N141	V72-R149 VanDerWaalsContact CG1-O 3.27Å; V72-R149 WeakPolarHBondContact CG1-O 3.25Å; E76-R149 WeakPolarHBondContact OE1-CD 3.35Å; L140-R149 PolarHBondContact O-NH1 2.84Å; N141-R149 PolarHBondContact OD1-NH1 3.21Å; N141-R149 PolarHBondContact OD1-NH2 3.38Å
150	I	87.5	Confident	85.7	Confident	109 Å²	109	70.5 Å²	70.5	56%	0.559	38%	0.375	S	S	*	.	S	Bend	trans	-97.6	-22.3	-173.2	-50.2	168.7	0	0	0	111.2	T40 V72 S148	T40-I150 HydrophobicContact CG2-CD1 3.89Å; V72-I150 WeakPolarHBondContact CG2-O 3.48Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact OG-N 3.11Å
151	S	86.7	Confident	85.8	Confident	76 Å²	76	71.7 Å²	71.7	53%	0.531	39%	0.385	S	S	.	.			trans	-139.1	118.7	178.5	177.8	0	0	0	0	109.3	S148	S148-S151 PolarHBondContact OG-N 3.38Å
152	I	87.3	Confident	85.9	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	38%	0.376	C	S	.	.			trans	-116.6	133.3	-178.3	-54.8	-70.2	0	0	0	107.8	A71 V72 F146 S148 A156 V157	A71-I152 HydrophobicContact CB-CB 3.84Å; A71-I152 HydrophobicContact CB-CG2 4.06Å; V72-I152 HydrophobicContact CB-CG1 4.3Å; V72-I152 HydrophobicContact CG2-CB 4.4Å; V72-I152 HydrophobicContact CG2-CG1 3.68Å; F146-I152 HydrophobicContact CB-CD1 4.46Å; F146-I152 HydrophobicContact CD1-CD1 3.82Å; F146-I152 HydrophobicContact CD1-CG2 4.09Å; F146-I152 HydrophobicContact CE1-CG2 4.18Å; S148-I152 WeakPolarHBondContact O-CD1 3.38Å; I152-A156 HydrophobicContact CG2-CB 4.05Å; I152-V157 HydrophobicContact CG2-CG2 4.3Å
153	K	83.9	Confident	86.2	Confident	150 Å²	150	67.2 Å²	67.2	65%	0.652	36%	0.363	S	S	*	.			trans	-79	142.9	175.5	-61	-178	179	-178	0	110.5	N155 A156	K153-N155 PolarHBondContact O-N 3.12Å; K153-N155 VanDerWaalsContact O-N 3.14Å; K153-A156 WeakPolarHBondContact O-CA 3.42Å; K153-A156 VanDerWaalsContact O-CB 3.28Å; K153-A156 WeakPolarHBondContact O-CB 3.26Å; K153-A156 PolarHBondContact O-N 3.41Å
154	E	79.4	Confident	86.7	Confident	138 Å²	138	63 Å²	63	65%	0.645	33%	0.333	S	S	*	.	H	α-helix	trans	-50.7	-39.1	176	-95.2	56.7	-150	0	0	113.8	A156 V157 A158	E154-A156 PolarHBondContact O-N 3.39Å; E154-A156 VanDerWaalsContact O-N 3.15Å; E154-V157 WeakPolarHBondContact O-CA 3.29Å; E154-V157 VanDerWaalsContact O-CB 3.25Å; E154-V157 WeakPolarHBondContact O-CB 3.31Å; E154-V157 PolarHBondContact O-N 3.19Å; E154-A158 PolarHBondContact O-N 3.12Å
155	N	81.5	Confident	87.2	Confident	140 Å²	140	59.7 Å²	59.7	75%	0.749	32%	0.317	S	S	*	.	H	α-helix	trans	-60.8	-27.1	177.8	-70.9	-9.2	0	0	0	113.1	K153	K153-N155 PolarHBondContact O-N 3.12Å; K153-N155 VanDerWaalsContact O-N 3.14Å
156	A	82.9	Confident	88	Confident	6 Å²	6	58.2 Å²	58.2	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-76	-31.7	174.4	0	0	0	0	0	111.5	Y145 F146 I152 K153 E154 A158 K159	Y145-A156 WeakPolarHBondContact O-CB 3.39Å; F146-A156 HydrophobicContact CD1-CB 3.98Å; F146-A156 HydrophobicContact CE1-CB 3.53Å; F146-A156 HydrophobicContact CZ-CB 4.06Å; I152-A156 HydrophobicContact CG2-CB 4.05Å; K153-A156 WeakPolarHBondContact O-CA 3.42Å; K153-A156 VanDerWaalsContact O-CB 3.28Å; K153-A156 WeakPolarHBondContact O-CB 3.26Å; K153-A156 PolarHBondContact O-N 3.41Å; E154-A156 PolarHBondContact O-N 3.39Å; E154-A156 VanDerWaalsContact O-N 3.15Å; A156-A158 VanDerWaalsContact C-N 3.3Å; A156-A158 PolarHBondContact O-N 3.48Å; A156-K159 WeakPolarHBondContact O-CB 3.08Å; A156-K159 PolarHBondContact O-N 3.08Å; A156-K159 VanDerWaalsContact O-N 3.15Å
157	V	82.7	Confident	88.6	Confident	21 Å²	21	57.9 Å²	57.9	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-36.6	175.9	-176	0	0	0	0	111.3	A71 K74 I152 E154 K159 L160	A71-V157 HydrophobicContact CB-CG2 3.43Å; A71-V157 VanDerWaalsContact CB-CG2 3.43Å; K74-V157 HydrophobicContact CD-CG1 3.98Å; I152-V157 HydrophobicContact CG2-CG2 4.3Å; E154-V157 WeakPolarHBondContact O-CA 3.29Å; E154-V157 VanDerWaalsContact O-CB 3.25Å; E154-V157 WeakPolarHBondContact O-CB 3.31Å; E154-V157 PolarHBondContact O-N 3.19Å; V157-K159 PolarHBondContact O-N 3.26Å; V157-K159 VanDerWaalsContact O-N 3.09Å; V157-L160 HydrophobicContact CB-CD1 4.46Å; V157-L160 HydrophobicContact CG1-CD1 4.03Å; V157-L160 VanDerWaalsContact O-CB 3.25Å; V157-L160 WeakPolarHBondContact O-CB 3.38Å; V157-L160 WeakPolarHBondContact O-CG 3.39Å; V157-L160 PolarHBondContact O-N 3.22Å
158	A	84.9	Confident	89.4	Confident	75 Å²	75	53.8 Å²	53.8	62%	0.62	28%	0.282	S	S	*	.	H	α-helix	trans	-57.8	-26.2	176.1	0	0	0	0	0	113.4	E154 A156 L160	E154-A158 PolarHBondContact O-N 3.12Å; A156-A158 VanDerWaalsContact C-N 3.3Å; A156-A158 PolarHBondContact O-N 3.48Å; A158-L160 VanDerWaalsContact C-N 3.35Å
159	K	87.4	Confident	89.9	Confident	76 Å²	76	53.9 Å²	53.9	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-76.6	-22.2	176.6	-60.2	-173	-179.6	-63.7	0	112.9	L139 Y145 A156 V157 A161 S162 I163	L139-K159 HydrophobicContact CD1-CD 4.29Å; L139-K159 HydrophobicContact CD2-CB 4.5Å; Y145-K159 HydrophobicContact CD1-CD 4.2Å; A156-K159 WeakPolarHBondContact O-CB 3.08Å; A156-K159 PolarHBondContact O-N 3.08Å; A156-K159 VanDerWaalsContact O-N 3.15Å; V157-K159 PolarHBondContact O-N 3.26Å; V157-K159 VanDerWaalsContact O-N 3.09Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 3.17Å; K159-S162 PolarHBondContact O-N 2.74Å; K159-I163 PolarHBondContact O-N 2.82Å
160	L	92.9	Very high	90.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-40	-178.3	-56.3	-178.9	0	0	0	111.3	K74 L78 L140 F146 V157 A158 S162 I163 C164 L204	K74-L160 HydrophobicContact CB-CD1 3.67Å; L78-L160 HydrophobicContact CD2-CB 4.1Å; L78-L160 HydrophobicContact CD2-CD2 3.7Å; L78-L160 HydrophobicContact CD2-CG 4.43Å; L140-L160 HydrophobicContact CD2-CD2 3.73Å; F146-L160 HydrophobicContact CZ-CD2 4.28Å; V157-L160 HydrophobicContact CB-CD1 4.46Å; V157-L160 HydrophobicContact CG1-CD1 4.03Å; V157-L160 VanDerWaalsContact O-CB 3.25Å; V157-L160 WeakPolarHBondContact O-CB 3.38Å; V157-L160 WeakPolarHBondContact O-CG 3.39Å; V157-L160 PolarHBondContact O-N 3.22Å; A158-L160 VanDerWaalsContact C-N 3.35Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 3.43Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-I163 VanDerWaalsContact O-N 3.08Å; L160-C164 WeakPolarHBondContact O-CB 3.47Å; L160-C164 PolarHBondContact O-N 2.91Å; L160-C164 PolarHBondContact O-SG 3.34Å; L160-L204 HydrophobicContact CB-CD2 4.26Å
161	A	93.5	Very high	90.9	Very high	25 Å²	25	45.1 Å²	45.1	21%	0.207	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-42.1	178.8	0	0	0	0	0	112.5	K159 C164 R165 L204	K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 3.17Å; A161-C164 PolarHBondContact O-N 3.22Å; A161-R165 WeakPolarHBondContact O-CG 3.3Å; A161-R165 PolarHBondContact O-N 3.39Å; A161-L204 WeakPolarHBondContact CA-O 3.43Å; A161-L204 WeakPolarHBondContact CB-O 3.23Å
162	S	92.9	Very high	91.4	Very high	32 Å²	32	41.5 Å²	41.5	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-43.5	177.2	-174.7	0	0	0	0	112	K159 L160 R165 R166	K159-S162 PolarHBondContact O-N 2.74Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 3.43Å; S162-R165 PolarHBondContact O-N 2.84Å; S162-R166 WeakPolarHBondContact O-CG 3.34Å; S162-R166 PolarHBondContact O-N 3.38Å
163	I	95.4	Very high	91.9	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-45.3	176.2	-57.9	170.5	0	0	0	109.9	L78 A136 L139 L140 K159 L160 R165 R166 V167	L78-I163 HydrophobicContact CD1-CG2 4.3Å; L78-I163 HydrophobicContact CD2-CB 3.87Å; L78-I163 HydrophobicContact CD2-CD1 4.09Å; L78-I163 HydrophobicContact CD2-CG2 3.74Å; L78-I163 HydrophobicContact CG-CG2 4.24Å; A136-I163 HydrophobicContact CB-CG2 3.72Å; L139-I163 HydrophobicContact CB-CD1 4.5Å; L139-I163 HydrophobicContact CD2-CD1 3.62Å; L139-I163 HydrophobicContact CD2-CG1 3.95Å; L139-I163 HydrophobicContact CG-CD1 4.12Å; L140-I163 HydrophobicContact CD2-CD1 4.04Å; L140-I163 HydrophobicContact CG-CD1 4.06Å; K159-I163 PolarHBondContact O-N 2.82Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-I163 VanDerWaalsContact O-N 3.08Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 3.05Å; I163-R166 PolarHBondContact O-N 3.49Å; I163-V167 HydrophobicContact CG2-CG2 4Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.38Å; I163-V167 PolarHBondContact O-N 3.11Å
164	C	97.1	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-46.8	179.6	-73.5	0	0	0	0	111.6	L160 A161 R166 V167 Y168 F195 V199 L204 M205	L160-C164 WeakPolarHBondContact O-CB 3.47Å; L160-C164 PolarHBondContact O-N 2.91Å; L160-C164 PolarHBondContact O-SG 3.34Å; A161-C164 PolarHBondContact O-N 3.22Å; C164-R166 VanDerWaalsContact C-N 3.29Å; C164-R166 PolarHBondContact O-N 2.83Å; C164-V167 PolarHBondContact O-N 3.23Å; C164-Y168 WeakPolarHBondContact O-CB 3.44Å; C164-Y168 PolarHBondContact O-N 3.38Å; C164-F195 HydrophobicContact CB-CZ 3.98Å; C164-F195 WeakPolarHBondContact O-CZ 3.3Å; C164-V199 HydrophobicContact CB-CG1 3.9Å; C164-L204 HydrophobicContact CB-CB 4.49Å; C164-M205 VanDerWaalsContact C-SD 3.53Å; C164-M205 HydrophobicContact CB-CG 4.04Å; C164-M205 HydrophobicContact CB-SD 3.93Å
165	R	95.7	Very high	93.5	Very high	90 Å²	90	29.3 Å²	29.3	34%	0.34	15%	0.154	S	C	.	.	H	α-helix	trans	-57.7	-42	175	-70.8	-167	-61.4	-118.6	11.3	112.2	A161 S162 I163 Y168 R169 M205 D241	A161-R165 WeakPolarHBondContact O-CG 3.3Å; A161-R165 PolarHBondContact O-N 3.39Å; S162-R165 PolarHBondContact O-N 2.84Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 3.05Å; R165-Y168 PolarHBondContact O-N 3.49Å; R165-R169 WeakPolarHBondContact O-CG 3.09Å; R165-R169 PolarHBondContact O-N 3.03Å; R165-M205 HydrophobicContact CG-CE 4.11Å; R165-M205 HydrophobicContact CG-CG 3.94Å; R165-M205 HydrophobicContact CG-SD 4.15Å; R165-D241 IonicContact NH2-OD2 3.5Å
166	R	96.8	Very high	94.2	Very high	51 Å²	51	26.6 Å²	26.6	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-71.2	-40.2	-179.1	-66.3	172.7	-173.9	-171.4	1	112.5	A115 T132 S162 I163 C164 Y168 R169	A115-R166 VanDerWaalsContact CB-CZ 3.47Å; T132-R166 HydrophobicContact CG2-CB 3.72Å; S162-R166 WeakPolarHBondContact O-CG 3.34Å; S162-R166 PolarHBondContact O-N 3.38Å; I163-R166 PolarHBondContact O-N 3.49Å; C164-R166 VanDerWaalsContact C-N 3.29Å; C164-R166 PolarHBondContact O-N 2.83Å; R166-Y168 VanDerWaalsContact C-N 3.34Å; R166-R169 WeakPolarHBondContact O-CB 2.93Å; R166-R169 PolarHBondContact O-N 3.25Å
167	V	97.6	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-43.1	173.5	166.2	0	0	0	0	110.4	L85 I163 C164 R169 I170 F171 F195	L85-V167 HydrophobicContact CD2-CG1 3.69Å; I163-V167 HydrophobicContact CG2-CG2 4Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.38Å; I163-V167 PolarHBondContact O-N 3.11Å; C164-V167 PolarHBondContact O-N 3.23Å; V167-R169 VanDerWaalsContact C-N 3.28Å; V167-R169 PolarHBondContact O-N 3.28Å; V167-I170 VanDerWaalsContact O-CB 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.37Å; V167-I170 PolarHBondContact O-N 3.29Å; V167-F171 HydrophobicContact CG1-CD2 4.43Å; V167-F171 HydrophobicContact CG1-CE2 3.94Å; V167-F171 PolarHBondContact O-N 3.48Å; V167-F195 HydrophobicContact CB-CE2 4.12Å; V167-F195 HydrophobicContact CB-CZ 3.96Å; V167-F195 HydrophobicContact CG1-CD2 4.06Å; V167-F195 HydrophobicContact CG1-CE1 4.35Å; V167-F195 HydrophobicContact CG1-CE2 3.45Å; V167-F195 VanDerWaalsContact CG1-CE2 3.45Å; V167-F195 HydrophobicContact CG1-CZ 3.62Å
168	Y	97.6	Very high	95.6	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-36.9	177.9	-168.3	-104.6	0	0	0	113.2	C164 R165 R166 I170 F171 S172 F195 M205 H209 L210 I211 I212	C164-Y168 WeakPolarHBondContact O-CB 3.44Å; C164-Y168 PolarHBondContact O-N 3.38Å; R165-Y168 PolarHBondContact O-N 3.49Å; R166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-I170 PolarHBondContact O-N 3.34Å; Y168-F171 WeakPolarHBondContact O-CB 3.07Å; Y168-F171 PolarHBondContact O-N 3.33Å; Y168-S172 VanDerWaalsContact CE1-OG 3.29Å; Y168-S172 WeakPolarHBondContact CE1-OG 3.26Å; Y168-S172 PolarHBondContact O-N 2.89Å; Y168-S172 PolarHBondContact O-OG 2.84Å; Y168-F195 HydrophobicContact CD2-CD1 4.06Å; Y168-F195 AromaticContact CD2-CE1 3.97Å; Y168-F195 HydrophobicContact CD2-CE1 3.97Å; Y168-F195 HydrophobicContact CG-CE1 4.44Å; Y168-M205 HydrophobicContact CD1-CE 3.92Å; Y168-M205 HydrophobicContact CG-CE 3.82Å; Y168-M205 HydrophobicContact CG-SD 4.41Å; Y168-H209 WeakPolarHBondContact CE1-O 3.23Å; Y168-L210 HydrophobicContact CD1-CD2 4.23Å; Y168-L210 HydrophobicContact CD2-CD2 3.88Å; Y168-L210 HydrophobicContact CE1-CD2 3.91Å; Y168-L210 HydrophobicContact CE2-CD2 3.52Å; Y168-L210 HydrophobicContact CG-CD2 4.22Å; Y168-L210 WeakPolarHBondContact OH-CA 3.45Å; Y168-I211 HydrophobicContact CE1-CG1 4.31Å; Y168-I211 PolarHBondContact OH-N 3.3Å; Y168-I212 HydrophobicContact CE2-CD1 4.14Å; Y168-I212 WeakPolarHBondContact OH-CB 3.43Å; Y168-I212 PolarHBondContact OH-N 3.49Å; Y168-I212 VanDerWaalsContact OH-N 3.07Å
169	R	97.5	Very high	96.1	Very high	46 Å²	46	30.1 Å²	30.1	17%	0.174	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-32.5	174.9	-67	167.5	179.3	-178.4	-1.3	112.6	M104 Y112 Y128 R165 R166 V167 S172 H173	M104-R169 HydrophobicContact CE-CB 4.03Å; M104-R169 WeakPolarHBondContact CE-O 3.48Å; Y112-R169 HydrophobicContact CD1-CG 3.98Å; Y112-R169 HydrophobicContact CD2-CB 3.72Å; Y112-R169 HydrophobicContact CD2-CG 3.68Å; Y112-R169 HydrophobicContact CE1-CG 3.95Å; Y112-R169 HydrophobicContact CE2-CB 3.74Å; Y112-R169 HydrophobicContact CE2-CG 3.62Å; Y112-R169 HydrophobicContact CG-CB 4.31Å; Y112-R169 HydrophobicContact CG-CG 3.86Å; Y128-R169 WeakPolarHBondContact OH-CD 3.17Å; Y128-R169 PolarHBondContact OH-NH1 3.09Å; R165-R169 WeakPolarHBondContact O-CG 3.09Å; R165-R169 PolarHBondContact O-N 3.03Å; R166-R169 WeakPolarHBondContact O-CB 2.93Å; R166-R169 PolarHBondContact O-N 3.25Å; V167-R169 VanDerWaalsContact C-N 3.28Å; V167-R169 PolarHBondContact O-N 3.28Å; R169-S172 PolarHBondContact O-N 3.02Å; R169-H173 WeakPolarHBondContact O-CB 3.24Å; R169-H173 PolarHBondContact O-N 3.37Å
170	I	98.1	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-47.4	176	-57.3	173.1	0	0	0	109.9	L85 M104 I129 T132 L133 V167 Y168 S172 H173 A174	L85-I170 HydrophobicContact CD1-CG2 4.08Å; L85-I170 HydrophobicContact CD2-CB 4.18Å; L85-I170 HydrophobicContact CD2-CD1 3.84Å; L85-I170 HydrophobicContact CD2-CG2 4.18Å; L85-I170 HydrophobicContact CG-CG2 4.33Å; M104-I170 HydrophobicContact CE-CG1 4.41Å; I129-I170 HydrophobicContact CD1-CG2 4.31Å; I129-I170 HydrophobicContact CG1-CG1 4.09Å; I129-I170 HydrophobicContact CG1-CG2 3.99Å; I129-I170 HydrophobicContact CG2-CD1 4.28Å; I129-I170 HydrophobicContact CG2-CG2 4.28Å; T132-I170 HydrophobicContact CG2-CD1 3.85Å; L133-I170 HydrophobicContact CD2-CD1 4.3Å; L133-I170 HydrophobicContact CG-CD1 4.15Å; V167-I170 VanDerWaalsContact O-CB 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.37Å; V167-I170 PolarHBondContact O-N 3.29Å; Y168-I170 PolarHBondContact O-N 3.34Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 2.95Å; I170-H173 PolarHBondContact O-N 2.87Å; I170-A174 WeakPolarHBondContact O-CB 3.43Å; I170-A174 PolarHBondContact O-N 3.11Å
171	F	98	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.3	-44.6	174.1	-69.4	-63.9	0	0	0	111.7	L85 L88 V167 Y168 A174 Y175 F182 L191 C192 F195 I212	L85-F171 HydrophobicContact CD1-CD1 4.23Å; L85-F171 HydrophobicContact CD1-CE1 3.67Å; L85-F171 HydrophobicContact CD1-CE2 4.41Å; L85-F171 HydrophobicContact CD1-CZ 3.77Å; L85-F171 HydrophobicContact CD2-CE2 4.44Å; L85-F171 HydrophobicContact CD2-CZ 4.45Å; L88-F171 HydrophobicContact CD2-CD1 4.27Å; L88-F171 HydrophobicContact CD2-CE1 4.44Å; V167-F171 HydrophobicContact CG1-CD2 4.43Å; V167-F171 HydrophobicContact CG1-CE2 3.94Å; V167-F171 PolarHBondContact O-N 3.48Å; Y168-F171 WeakPolarHBondContact O-CB 3.07Å; Y168-F171 PolarHBondContact O-N 3.33Å; F171-A174 PolarHBondContact O-N 3.41Å; F171-Y175 VanDerWaalsContact O-CB 3.31Å; F171-Y175 WeakPolarHBondContact O-CB 3.34Å; F171-Y175 PolarHBondContact O-N 3.16Å; F171-F182 HydrophobicContact CD1-CE2 4.27Å; F171-L191 HydrophobicContact CE1-CB 4.36Å; F171-L191 HydrophobicContact CE1-CD2 4.05Å; F171-L191 HydrophobicContact CE1-CG 4.14Å; F171-L191 HydrophobicContact CZ-CB 4.48Å; F171-L191 HydrophobicContact CZ-CD2 3.86Å; F171-L191 HydrophobicContact CZ-CG 3.83Å; F171-C192 HydrophobicContact CD1-CB 3.63Å; F171-C192 HydrophobicContact CE1-CB 3.87Å; F171-C192 HydrophobicContact CG-CB 4.13Å; F171-F195 HydrophobicContact CD2-CD1 4.14Å; F171-F195 HydrophobicContact CD2-CG 4.34Å; F171-F195 HydrophobicContact CE2-CB 3.84Å; F171-F195 AromaticContact CE2-CD1 3.93Å; F171-F195 HydrophobicContact CE2-CD1 3.93Å; F171-F195 HydrophobicContact CE2-CD2 4.11Å; F171-F195 AromaticContact CE2-CG 3.67Å; F171-F195 HydrophobicContact CE2-CG 3.67Å; F171-F195 HydrophobicContact CZ-CB 4.26Å; F171-F195 HydrophobicContact CZ-CG 4.5Å; F171-I212 HydrophobicContact CB-CD1 3.73Å
172	S	97.4	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-45	180	-52.5	0	0	0	0	111.4	Y168 R169 I170 A174 Y175 F176	Y168-S172 VanDerWaalsContact CE1-OG 3.29Å; Y168-S172 WeakPolarHBondContact CE1-OG 3.26Å; Y168-S172 PolarHBondContact O-N 2.89Å; Y168-S172 PolarHBondContact O-OG 2.84Å; R169-S172 PolarHBondContact O-N 3.02Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 2.95Å; S172-A174 PolarHBondContact O-N 2.73Å; S172-Y175 PolarHBondContact O-N 2.86Å; S172-F176 WeakPolarHBondContact O-CD2 3.45Å; S172-F176 PolarHBondContact O-N 3.09Å
173	H	97.9	Very high	97.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-58.2	-48.6	175.5	172.3	69.8	0	0	0	111.8	M104 A105 A125 R169 I170 Y175 F176 N177 H178	M104-H173 HydrophobicContact CE-CB 3.55Å; M104-H173 HydrophobicContact SD-CB 4.08Å; A105-H173 PolarHBondContact O-ND1 2.76Å; A125-H173 WeakPolarHBondContact CB-CE1 3.43Å; A125-H173 WeakPolarHBondContact CB-NE2 3.25Å; R169-H173 WeakPolarHBondContact O-CB 3.24Å; R169-H173 PolarHBondContact O-N 3.37Å; I170-H173 PolarHBondContact O-N 2.87Å; H173-Y175 PolarHBondContact O-N 3.38Å; H173-F176 PolarHBondContact O-N 3.23Å; H173-N177 PolarHBondContact ND1-ND2 3.14Å; H173-N177 VanDerWaalsContact ND1-ND2 3.12Å; H173-N177 WeakPolarHBondContact O-CB 3.44Å; H173-N177 PolarHBondContact O-N 3.12Å; H173-N177 PolarHBondContact O-ND2 3.34Å; H173-H178 AromaticContact NE2-CD2 3.5Å; H173-H178 AromaticContact NE2-NE2 3.56Å
174	A	98	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-42.8	177.8	0	0	0	0	0	111.8	L88 L92 I170 F171 S172 H178 K179 F182	L88-A174 HydrophobicContact CD2-CB 3.95Å; L92-A174 HydrophobicContact CD1-CB 4.24Å; L92-A174 HydrophobicContact CD2-CB 4.41Å; I170-A174 WeakPolarHBondContact O-CB 3.43Å; I170-A174 PolarHBondContact O-N 3.11Å; F171-A174 PolarHBondContact O-N 3.41Å; S172-A174 PolarHBondContact O-N 2.73Å; A174-H178 CarbonylContact O-C 2.98Å; A174-H178 VanDerWaalsContact O-CA 3.26Å; A174-H178 WeakPolarHBondContact O-CA 3.35Å; A174-H178 PolarHBondContact O-N 3.48Å; A174-H178 VanDerWaalsContact O-O 3.14Å; A174-K179 PolarHBondContact O-N 2.79Å; A174-F182 HydrophobicContact CB-CB 4.34Å; A174-F182 HydrophobicContact CB-CD2 4.03Å
175	Y	97.6	Very high	97.4	Very high	37 Å²	37	37.9 Å²	37.9	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-49.3	179.3	-179.3	-92.6	0	0	0	112.5	F171 S172 H173 K179 F182 I212 P213	F171-Y175 VanDerWaalsContact O-CB 3.31Å; F171-Y175 WeakPolarHBondContact O-CB 3.34Å; F171-Y175 PolarHBondContact O-N 3.16Å; S172-Y175 PolarHBondContact O-N 2.86Å; H173-Y175 PolarHBondContact O-N 3.38Å; Y175-K179 HydrophobicContact CD2-CD 4.11Å; Y175-K179 HydrophobicContact CE2-CD 4.06Å; Y175-K179 VanDerWaalsContact CE2-CE 3.48Å; Y175-K179 VanDerWaalsContact O-CD 3.25Å; Y175-K179 WeakPolarHBondContact O-CD 3.15Å; Y175-F182 AromaticContact CD2-CD1 3.74Å; Y175-F182 HydrophobicContact CD2-CD1 3.74Å; Y175-F182 AromaticContact CD2-CE1 3.55Å; Y175-F182 HydrophobicContact CD2-CE1 3.55Å; Y175-F182 HydrophobicContact CD2-CE2 4.45Å; Y175-F182 HydrophobicContact CD2-CG 4.31Å; Y175-F182 AromaticContact CD2-CZ 3.92Å; Y175-F182 HydrophobicContact CD2-CZ 3.92Å; Y175-F182 HydrophobicContact CE2-CE1 4.24Å; Y175-I212 HydrophobicContact CD1-CG1 4.41Å; Y175-I212 HydrophobicContact CD1-CG2 4.19Å; Y175-I212 HydrophobicContact CD2-CG2 3.61Å; Y175-I212 HydrophobicContact CE1-CG2 4.37Å; Y175-I212 HydrophobicContact CE2-CG2 3.8Å; Y175-I212 HydrophobicContact CG-CG1 4.2Å; Y175-I212 HydrophobicContact CG-CG2 3.82Å; Y175-P213 HydrophobicContact CE1-CG 4.46Å
176	F	96.7	Very high	97.5	Very high	82 Å²	82	34.9 Å²	34.9	36%	0.36	17%	0.173	S	C	.	.	H	α-helix	trans	-84.1	-28.5	-172.8	-71.8	-71.8	0	0	0	114	A106 S172 H173 I211 I212	A106-F176 HydrophobicContact CB-CD2 4.03Å; A106-F176 WeakPolarHBondContact O-CB 3.37Å; A106-F176 WeakPolarHBondContact O-CG 3.44Å; S172-F176 WeakPolarHBondContact O-CD2 3.45Å; S172-F176 PolarHBondContact O-N 3.09Å; H173-F176 PolarHBondContact O-N 3.23Å; F176-I211 HydrophobicContact CD2-CD1 4.42Å; F176-I211 HydrophobicContact CE2-CD1 3.75Å; F176-I211 HydrophobicContact CE2-CG1 3.98Å; F176-I212 HydrophobicContact CE2-CG1 4.47Å
177	N	96.6	Very high	97.5	Very high	81 Å²	81	35.8 Å²	35.8	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-109.4	-23.4	-175.2	-54.4	-74.6	0	0	0	113.8	A105 H173	A105-N177 PolarHBondContact O-ND2 2.83Å; H173-N177 PolarHBondContact ND1-ND2 3.14Å; H173-N177 VanDerWaalsContact ND1-ND2 3.12Å; H173-N177 WeakPolarHBondContact O-CB 3.44Å; H173-N177 PolarHBondContact O-N 3.12Å; H173-N177 PolarHBondContact O-ND2 3.34Å
178	H	97.3	Very high	97.4	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	22%	0.22	C	C	.	.			trans	-131.7	49.3	-177.1	-61.7	-77.9	0	0	0	111.2	L92 C96 C101 H173 A174 A180 V181 F182	L92-H178 HydrophobicContact CD2-CB 3.54Å; C96-H178 WeakPolarHBondContact CB-NE2 3.47Å; C96-H178 PolarHBondContact SG-NE2 2.94Å; C96-H178 VanDerWaalsContact SG-NE2 3.43Å; C101-H178 PolarHBondContact SG-NE2 3.35Å; H173-H178 AromaticContact NE2-CD2 3.5Å; H173-H178 AromaticContact NE2-NE2 3.56Å; A174-H178 CarbonylContact O-C 2.98Å; A174-H178 VanDerWaalsContact O-CA 3.26Å; A174-H178 WeakPolarHBondContact O-CA 3.35Å; A174-H178 PolarHBondContact O-N 3.48Å; A174-H178 VanDerWaalsContact O-O 3.14Å; H178-A180 VanDerWaalsContact C-N 3.29Å; H178-A180 PolarHBondContact O-N 2.92Å; H178-V181 HydrophobicContact CB-CB 4.37Å; H178-V181 PolarHBondContact O-N 3.29Å; H178-V181 VanDerWaalsContact O-N 3.11Å; H178-F182 PolarHBondContact O-N 3.01Å
179	K	97.3	Very high	97.4	Very high	83 Å²	83	42.4 Å²	42.4	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-53.3	-41.2	-169.3	-172.4	65.6	167	74.3	0	113.8	A174 Y175 F182 D183	A174-K179 PolarHBondContact O-N 2.79Å; Y175-K179 HydrophobicContact CD2-CD 4.11Å; Y175-K179 HydrophobicContact CE2-CD 4.06Å; Y175-K179 VanDerWaalsContact CE2-CE 3.48Å; Y175-K179 VanDerWaalsContact O-CD 3.25Å; Y175-K179 WeakPolarHBondContact O-CD 3.15Å; K179-F182 PolarHBondContact O-N 3.47Å; K179-D183 IonicContact NZ-OD1 2.59Å; K179-D183 PolarHBondContact NZ-OD1 3.5Å; K179-D183 IonicContact NZ-OD2 2.67Å; K179-D183 PolarHBondContact NZ-OD2 3.39Å; K179-D183 WeakPolarHBondContact O-CB 3.42Å; K179-D183 PolarHBondContact O-N 3.25Å
180	A	97.8	Very high	97.4	Very high	73 Å²	73	42.6 Å²	42.6	60%	0.603	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-46.1	-179.8	0	0	0	0	0	112.2	H178 D183 Q184	H178-A180 VanDerWaalsContact C-N 3.29Å; H178-A180 PolarHBondContact O-N 2.92Å; A180-D183 PolarHBondContact O-N 3.02Å; A180-Q184 WeakPolarHBondContact O-CB 3.4Å; A180-Q184 PolarHBondContact O-N 2.85Å
181	V	98	Very high	97.4	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-45.1	175.7	177.3	0	0	0	0	110.6	L88 L91 L92 H178 D183 F185	L88-V181 HydrophobicContact CD1-CG1 4Å; L91-V181 HydrophobicContact CB-CG1 3.63Å; L91-V181 HydrophobicContact CD1-CG1 4.46Å; L92-V181 HydrophobicContact CD2-CB 4.45Å; L92-V181 HydrophobicContact CD2-CG1 4.1Å; L92-V181 HydrophobicContact CG-CG1 4.45Å; H178-V181 HydrophobicContact CB-CB 4.37Å; H178-V181 PolarHBondContact O-N 3.29Å; H178-V181 VanDerWaalsContact O-N 3.11Å; V181-D183 PolarHBondContact O-N 3.49Å; V181-F185 WeakPolarHBondContact O-CB 3.39Å; V181-F185 PolarHBondContact O-N 3.46Å
182	F	97.9	Very high	97.3	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-49.5	175.9	177.3	-84	0	0	0	111.5	F171 A174 Y175 H178 K179 Q184 F185 E186 C192	F171-F182 HydrophobicContact CD1-CE2 4.27Å; A174-F182 HydrophobicContact CB-CB 4.34Å; A174-F182 HydrophobicContact CB-CD2 4.03Å; Y175-F182 AromaticContact CD2-CD1 3.74Å; Y175-F182 HydrophobicContact CD2-CD1 3.74Å; Y175-F182 AromaticContact CD2-CE1 3.55Å; Y175-F182 HydrophobicContact CD2-CE1 3.55Å; Y175-F182 HydrophobicContact CD2-CE2 4.45Å; Y175-F182 HydrophobicContact CD2-CG 4.31Å; Y175-F182 AromaticContact CD2-CZ 3.92Å; Y175-F182 HydrophobicContact CD2-CZ 3.92Å; Y175-F182 HydrophobicContact CE2-CE1 4.24Å; H178-F182 PolarHBondContact O-N 3.01Å; K179-F182 PolarHBondContact O-N 3.47Å; F182-Q184 PolarHBondContact O-N 3.41Å; F182-F185 PolarHBondContact O-N 2.8Å; F182-E186 HydrophobicContact CD1-CB 4.33Å; F182-E186 HydrophobicContact CE1-CB 3.94Å; F182-E186 HydrophobicContact CE1-CG 4.1Å; F182-E186 HydrophobicContact CZ-CB 4.28Å; F182-E186 HydrophobicContact CZ-CG 4.26Å; F182-E186 VanDerWaalsContact O-CB 3.24Å; F182-E186 WeakPolarHBondContact O-CB 3.2Å; F182-E186 PolarHBondContact O-N 3.08Å; F182-C192 HydrophobicContact CE2-CB 3.88Å; F182-C192 HydrophobicContact CZ-CB 3.74Å
183	D	97.6	Very high	97.3	Very high	67 Å²	67	46 Å²	46	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-43.7	-177	-74.8	-16.8	0	0	0	112	K179 A180 V181 F185 E186 A187	K179-D183 IonicContact NZ-OD1 2.59Å; K179-D183 PolarHBondContact NZ-OD1 3.5Å; K179-D183 IonicContact NZ-OD2 2.67Å; K179-D183 PolarHBondContact NZ-OD2 3.39Å; K179-D183 WeakPolarHBondContact O-CB 3.42Å; K179-D183 PolarHBondContact O-N 3.25Å; A180-D183 PolarHBondContact O-N 3.02Å; V181-D183 PolarHBondContact O-N 3.49Å; D183-F185 VanDerWaalsContact C-N 3.33Å; D183-F185 PolarHBondContact O-N 3.22Å; D183-E186 PolarHBondContact O-N 3.32Å; D183-A187 WeakPolarHBondContact O-CB 3.41Å; D183-A187 PolarHBondContact O-N 3.09Å
184	Q	97.5	Very high	97.3	Very high	126 Å²	126	46 Å²	46	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-61.4	-43.4	175.9	-176.8	-176.9	3	0	0	111.4	A180 F182 N188	A180-Q184 WeakPolarHBondContact O-CB 3.4Å; A180-Q184 PolarHBondContact O-N 2.85Å; F182-Q184 PolarHBondContact O-N 3.41Å; Q184-N188 PolarHBondContact O-ND2 2.89Å
185	F	97.8	Very high	97.3	Very high	19 Å²	19	46 Å²	46	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-45.1	179.4	-176.4	-99.7	0	0	0	111.7	L88 L91 V181 F182 D183 N188 T189 L191	L88-F185 HydrophobicContact CB-CD1 3.94Å; L88-F185 HydrophobicContact CB-CD2 4.22Å; L88-F185 HydrophobicContact CB-CE1 3.8Å; L88-F185 HydrophobicContact CB-CE2 4.1Å; L88-F185 HydrophobicContact CB-CG 4.14Å; L88-F185 HydrophobicContact CB-CZ 3.88Å; L88-F185 HydrophobicContact CD1-CB 3.92Å; L88-F185 HydrophobicContact CD1-CD1 4.05Å; L88-F185 HydrophobicContact CD1-CG 3.9Å; L88-F185 HydrophobicContact CD2-CD1 4.29Å; L88-F185 HydrophobicContact CG-CD1 4.31Å; L91-F185 HydrophobicContact CD1-CB 4.11Å; L91-F185 HydrophobicContact CD1-CD2 3.7Å; L91-F185 HydrophobicContact CD1-CG 4.32Å; V181-F185 WeakPolarHBondContact O-CB 3.39Å; V181-F185 PolarHBondContact O-N 3.46Å; F182-F185 PolarHBondContact O-N 2.8Å; D183-F185 VanDerWaalsContact C-N 3.33Å; D183-F185 PolarHBondContact O-N 3.22Å; F185-N188 PolarHBondContact O-N 2.78Å; F185-T189 HydrophobicContact CD2-CG2 4.22Å; F185-T189 HydrophobicContact CE1-CG2 4.32Å; F185-T189 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T189 HydrophobicContact CE2-CG2 3.9Å; F185-T189 HydrophobicContact CZ-CG2 3.96Å; F185-T189 WeakPolarHBondContact O-CB 3.45Å; F185-T189 WeakPolarHBondContact O-CG2 3.33Å; F185-T189 PolarHBondContact O-N 3.23Å; F185-T189 PolarHBondContact O-OG1 3.01Å; F185-L191 HydrophobicContact CE1-CB 3.8Å; F185-L191 HydrophobicContact CE1-CD2 3.64Å; F185-L191 HydrophobicContact CE1-CG 4.36Å; F185-L191 HydrophobicContact CZ-CB 4.48Å; F185-L191 HydrophobicContact CZ-CD2 3.85Å
186	E	97.2	Very high	97.3	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-35.9	-177.5	-174.1	61.8	-169.5	0	0	112.3	F182 D183 N188 T189 H190 L191 C192 K193	F182-E186 HydrophobicContact CD1-CB 4.33Å; F182-E186 HydrophobicContact CE1-CB 3.94Å; F182-E186 HydrophobicContact CE1-CG 4.1Å; F182-E186 HydrophobicContact CZ-CB 4.28Å; F182-E186 HydrophobicContact CZ-CG 4.26Å; F182-E186 VanDerWaalsContact O-CB 3.24Å; F182-E186 WeakPolarHBondContact O-CB 3.2Å; F182-E186 PolarHBondContact O-N 3.08Å; D183-E186 PolarHBondContact O-N 3.32Å; E186-N188 PolarHBondContact O-N 3.35Å; E186-T189 PolarHBondContact O-N 3.05Å; E186-H190 WeakPolarHBondContact O-CA 3.42Å; E186-H190 PolarHBondContact O-N 3.48Å; E186-H190 VanDerWaalsContact OE1-CA 3.26Å; E186-H190 WeakPolarHBondContact OE1-CA 3.42Å; E186-L191 PolarHBondContact OE2-N 2.93Å; E186-C192 PolarHBondContact OE1-N 3.09Å; E186-C192 VanDerWaalsContact OE2-CB 3.26Å; E186-C192 WeakPolarHBondContact OE2-CB 3.32Å; E186-C192 PolarHBondContact OE2-N 3.33Å; E186-K193 VanDerWaalsContact OE1-CB 3.23Å; E186-K193 WeakPolarHBondContact OE1-CB 3.45Å; E186-K193 PolarHBondContact OE1-N 3.2Å
187	A	96.6	Very high	97.2	Very high	70 Å²	70	41.3 Å²	41.3	58%	0.579	23%	0.227	S	C	*	.	H	α-helix	trans	-60.9	-28.8	176.8	0	0	0	0	0	113.1	D183	D183-A187 WeakPolarHBondContact O-CB 3.41Å; D183-A187 PolarHBondContact O-N 3.09Å
188	N	95.4	Very high	97.3	Very high	115 Å²	115	37.5 Å²	37.5	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-95.3	-35.2	-180	-67.9	-59.8	0	0	0	112.8	Q184 F185 E186	Q184-N188 PolarHBondContact O-ND2 2.89Å; F185-N188 PolarHBondContact O-N 2.78Å; E186-N188 PolarHBondContact O-N 3.35Å
189	T	97.1	Very high	97.3	Very high	29 Å²	29	36.9 Å²	36.9	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-107.2	-24.2	-168.1	65.2	0	0	0	0	113.5	F185 E186 L191 R194	F185-T189 HydrophobicContact CD2-CG2 4.22Å; F185-T189 HydrophobicContact CE1-CG2 4.32Å; F185-T189 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T189 HydrophobicContact CE2-CG2 3.9Å; F185-T189 HydrophobicContact CZ-CG2 3.96Å; F185-T189 WeakPolarHBondContact O-CB 3.45Å; F185-T189 WeakPolarHBondContact O-CG2 3.33Å; F185-T189 PolarHBondContact O-N 3.23Å; F185-T189 PolarHBondContact O-OG1 3.01Å; E186-T189 PolarHBondContact O-N 3.05Å; T189-L191 PolarHBondContact O-N 3.01Å; T189-L191 WeakPolarHBondContact OG1-CB 3.33Å; T189-L191 PolarHBondContact OG1-N 3.26Å; T189-R194 PolarHBondContact O-NH1 3.06Å; T189-R194 PolarHBondContact O-NH2 3.29Å
190	H	97.2	Very high	97.2	Very high	50 Å²	50	35 Å²	35	23%	0.231	20%	0.199	C	C	.	.			trans	50.9	24	-169.6	-54.8	-81.6	0	0	0	113.6	E186 C192 K193 R194	E186-H190 WeakPolarHBondContact O-CA 3.42Å; E186-H190 PolarHBondContact O-N 3.48Å; E186-H190 VanDerWaalsContact OE1-CA 3.26Å; E186-H190 WeakPolarHBondContact OE1-CA 3.42Å; H190-C192 PolarHBondContact O-N 3.44Å; H190-K193 PolarHBondContact O-N 3.32Å; H190-R194 WeakPolarHBondContact O-CB 3.4Å; H190-R194 VanDerWaalsContact O-CG 3.32Å; H190-R194 WeakPolarHBondContact O-CG 3.24Å; H190-R194 PolarHBondContact O-N 2.88Å
191	L	98	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-43.2	-167	-171.4	68	0	0	0	111.6	F81 E84 L85 F171 F185 E186 T189 F195	F81-L191 HydrophobicContact CD1-CD1 3.64Å; F81-L191 HydrophobicContact CD1-CG 4.37Å; F81-L191 HydrophobicContact CE1-CD1 4.15Å; E84-L191 HydrophobicContact CB-CD1 3.59Å; E84-L191 HydrophobicContact CB-CD2 3.71Å; E84-L191 HydrophobicContact CB-CG 4.31Å; E84-L191 HydrophobicContact CG-CD1 4.25Å; L85-L191 HydrophobicContact CB-CD2 4.14Å; L85-L191 HydrophobicContact CD1-CD2 4.35Å; F171-L191 HydrophobicContact CE1-CB 4.36Å; F171-L191 HydrophobicContact CE1-CD2 4.05Å; F171-L191 HydrophobicContact CE1-CG 4.14Å; F171-L191 HydrophobicContact CZ-CB 4.48Å; F171-L191 HydrophobicContact CZ-CD2 3.86Å; F171-L191 HydrophobicContact CZ-CG 3.83Å; F185-L191 HydrophobicContact CE1-CB 3.8Å; F185-L191 HydrophobicContact CE1-CD2 3.64Å; F185-L191 HydrophobicContact CE1-CG 4.36Å; F185-L191 HydrophobicContact CZ-CB 4.48Å; F185-L191 HydrophobicContact CZ-CD2 3.85Å; E186-L191 PolarHBondContact OE2-N 2.93Å; T189-L191 PolarHBondContact O-N 3.01Å; T189-L191 WeakPolarHBondContact OG1-CB 3.33Å; T189-L191 PolarHBondContact OG1-N 3.26Å; L191-F195 WeakPolarHBondContact O-CB 3.09Å; L191-F195 PolarHBondContact O-N 3.19Å
192	C	97.5	Very high	96.9	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-43.3	176.8	-170.9	0	0	0	0	110.5	F171 F182 E186 H190 F195 T196	F171-C192 HydrophobicContact CD1-CB 3.63Å; F171-C192 HydrophobicContact CE1-CB 3.87Å; F171-C192 HydrophobicContact CG-CB 4.13Å; F182-C192 HydrophobicContact CE2-CB 3.88Å; F182-C192 HydrophobicContact CZ-CB 3.74Å; E186-C192 PolarHBondContact OE1-N 3.09Å; E186-C192 VanDerWaalsContact OE2-CB 3.26Å; E186-C192 WeakPolarHBondContact OE2-CB 3.32Å; E186-C192 PolarHBondContact OE2-N 3.33Å; H190-C192 PolarHBondContact O-N 3.44Å; C192-F195 PolarHBondContact O-N 3.31Å; C192-T196 PolarHBondContact O-N 2.58Å; C192-T196 PolarHBondContact O-OG1 2.73Å; C192-T196 VanDerWaalsContact O-OG1 3.09Å
193	K	96.7	Very high	96.7	Very high	69 Å²	69	41.9 Å²	41.9	30%	0.3	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-43.7	177.2	-161.9	-177.5	172.3	177.3	0	112.3	I58 E186 H190 N197 F215	I58-K193 HydrophobicContact CD1-CB 3.99Å; I58-K193 HydrophobicContact CD1-CD 3.6Å; I58-K193 HydrophobicContact CD1-CG 3.43Å; I58-K193 VanDerWaalsContact CD1-CG 3.43Å; E186-K193 VanDerWaalsContact OE1-CB 3.23Å; E186-K193 WeakPolarHBondContact OE1-CB 3.45Å; E186-K193 PolarHBondContact OE1-N 3.2Å; H190-K193 PolarHBondContact O-N 3.32Å; K193-N197 PolarHBondContact O-N 3.04Å; K193-N197 VanDerWaalsContact O-N 3.12Å; K193-N197 PolarHBondContact O-ND2 3.29Å; K193-F215 HydrophobicContact CB-CD1 4.49Å; K193-F215 HydrophobicContact CB-CE1 4.42Å; K193-F215 HydrophobicContact CG-CD1 4.17Å
194	R	97.2	Very high	96.6	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-44.9	173.5	-72.4	-161.4	-52.2	-107.4	-0.3	111.8	P55 I58 F81 E84 T189 H190 N197 F198	P55-R194 PolarHBondContact O-NH1 2.91Å; I58-R194 HydrophobicContact CD1-CG 4.38Å; I58-R194 HydrophobicContact CG1-CG 4.02Å; F81-R194 HydrophobicContact CE1-CB 3.79Å; F81-R194 HydrophobicContact CZ-CB 4.15Å; E84-R194 VanDerWaalsContact CD-NH2 3.27Å; E84-R194 IonicContact OE1-NH2 2.65Å; E84-R194 PolarHBondContact OE1-NH2 3Å; E84-R194 IonicContact OE2-CZ 2.93Å; E84-R194 IonicContact OE2-NH2 3.96Å; E84-R194 PolarHBondContact OE2-NH2 3.47Å; T189-R194 PolarHBondContact O-NH1 3.06Å; T189-R194 PolarHBondContact O-NH2 3.29Å; H190-R194 WeakPolarHBondContact O-CB 3.4Å; H190-R194 VanDerWaalsContact O-CG 3.32Å; H190-R194 WeakPolarHBondContact O-CG 3.24Å; H190-R194 PolarHBondContact O-N 2.88Å; R194-N197 PolarHBondContact O-N 3.44Å; R194-F198 VanDerWaalsContact O-CB 3.29Å; R194-F198 WeakPolarHBondContact O-CB 3.31Å; R194-F198 PolarHBondContact O-N 3.16Å
195	F	97.9	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-45	-179.7	-176.7	-88.9	0	0	0	111.6	L78 F81 C164 V167 Y168 F171 L191 C192 F198 V199 M205	L78-F195 HydrophobicContact CD1-CE2 4.07Å; F81-F195 HydrophobicContact CB-CD2 3.99Å; F81-F195 HydrophobicContact CB-CE2 4.45Å; F81-F195 HydrophobicContact CD1-CB 4Å; F81-F195 AromaticContact CD1-CD2 3.91Å; F81-F195 HydrophobicContact CD1-CD2 3.91Å; F81-F195 HydrophobicContact CD1-CG 4.47Å; F81-F195 AromaticContact CD2-CD2 3.77Å; F81-F195 HydrophobicContact CD2-CD2 3.77Å; F81-F195 HydrophobicContact CD2-CE2 4.35Å; F81-F195 HydrophobicContact CE1-CB 3.85Å; F81-F195 HydrophobicContact CE1-CD2 4.34Å; F81-F195 HydrophobicContact CE2-CD2 4.22Å; F81-F195 AromaticContact CG-CD2 3.63Å; F81-F195 HydrophobicContact CG-CD2 3.63Å; F81-F195 HydrophobicContact CG-CE2 4.4Å; F81-F195 HydrophobicContact CZ-CB 4.28Å; C164-F195 HydrophobicContact CB-CZ 3.98Å; C164-F195 WeakPolarHBondContact O-CZ 3.3Å; V167-F195 HydrophobicContact CB-CE2 4.12Å; V167-F195 HydrophobicContact CB-CZ 3.96Å; V167-F195 HydrophobicContact CG1-CD2 4.06Å; V167-F195 HydrophobicContact CG1-CE1 4.35Å; V167-F195 HydrophobicContact CG1-CE2 3.45Å; V167-F195 VanDerWaalsContact CG1-CE2 3.45Å; V167-F195 HydrophobicContact CG1-CZ 3.62Å; Y168-F195 HydrophobicContact CD2-CD1 4.06Å; Y168-F195 AromaticContact CD2-CE1 3.97Å; Y168-F195 HydrophobicContact CD2-CE1 3.97Å; Y168-F195 HydrophobicContact CG-CE1 4.44Å; F171-F195 HydrophobicContact CD2-CD1 4.14Å; F171-F195 HydrophobicContact CD2-CG 4.34Å; F171-F195 HydrophobicContact CE2-CB 3.84Å; F171-F195 AromaticContact CE2-CD1 3.93Å; F171-F195 HydrophobicContact CE2-CD1 3.93Å; F171-F195 HydrophobicContact CE2-CD2 4.11Å; F171-F195 AromaticContact CE2-CG 3.67Å; F171-F195 HydrophobicContact CE2-CG 3.67Å; F171-F195 HydrophobicContact CZ-CB 4.26Å; F171-F195 HydrophobicContact CZ-CG 4.5Å; L191-F195 WeakPolarHBondContact O-CB 3.09Å; L191-F195 PolarHBondContact O-N 3.19Å; C192-F195 PolarHBondContact O-N 3.31Å; F195-F198 WeakPolarHBondContact O-CB 3.17Å; F195-F198 PolarHBondContact O-N 3.26Å; F195-V199 HydrophobicContact CD1-CG1 4.13Å; F195-V199 HydrophobicContact CE1-CG1 3.59Å; F195-V199 HydrophobicContact CE2-CG1 4.31Å; F195-V199 HydrophobicContact CZ-CG1 3.7Å; F195-V199 PolarHBondContact O-N 2.95Å; F195-M205 HydrophobicContact CE1-SD 4.4Å
196	T	97.2	Very high	96.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-43.8	179	-57.5	0	0	0	0	112.1	C192 F198 V199 V200 L210 F215 V217	C192-T196 PolarHBondContact O-N 2.58Å; C192-T196 PolarHBondContact O-OG1 2.73Å; C192-T196 VanDerWaalsContact O-OG1 3.09Å; T196-F198 VanDerWaalsContact C-N 3.27Å; T196-F198 PolarHBondContact O-N 2.89Å; T196-V199 VanDerWaalsContact O-CG2 3.3Å; T196-V199 WeakPolarHBondContact O-CG2 3.24Å; T196-V199 PolarHBondContact O-N 3.47Å; T196-V200 WeakPolarHBondContact O-CG2 3.37Å; T196-V200 PolarHBondContact O-N 2.95Å; T196-V200 VanDerWaalsContact O-N 3.09Å; T196-L210 HydrophobicContact CG2-CD1 3.72Å; T196-L210 HydrophobicContact CG2-CD2 4.18Å; T196-L210 HydrophobicContact CG2-CG 4.45Å; T196-F215 VanDerWaalsContact CB-CE1 3.41Å; T196-F215 HydrophobicContact CG2-CB 3.99Å; T196-F215 HydrophobicContact CG2-CD1 3.69Å; T196-F215 HydrophobicContact CG2-CD2 3.34Å; T196-F215 HydrophobicContact CG2-CE1 4.03Å; T196-F215 HydrophobicContact CG2-CE2 3.67Å; T196-F215 HydrophobicContact CG2-CG 3.34Å; T196-F215 HydrophobicContact CG2-CZ 4.02Å; T196-F215 WeakPolarHBondContact OG1-CE1 3.38Å; T196-F215 WeakPolarHBondContact OG1-CE2 3.19Å; T196-F215 WeakPolarHBondContact OG1-CZ 3.41Å; T196-V217 HydrophobicContact CG2-CG1 4.41Å
197	N	96.5	Very high	95.9	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-38.9	173.9	-85.1	-84.7	0	0	0	111.9	I58 L62 K193 R194 R201	I58-N197 HydrophobicContact CG2-CB 3.62Å; L62-N197 HydrophobicContact CD1-CB 3.68Å; K193-N197 PolarHBondContact O-N 3.04Å; K193-N197 VanDerWaalsContact O-N 3.12Å; K193-N197 PolarHBondContact O-ND2 3.29Å; R194-N197 PolarHBondContact O-N 3.44Å; N197-R201 WeakPolarHBondContact O-CB 3.26Å; N197-R201 PolarHBondContact O-N 3.37Å
198	F	97.5	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-51	175.6	170.4	-101.6	0	0	0	112.2	L62 K74 H77 F81 R194 F195 T196 V200 R201 F202 L204	L62-F198 HydrophobicContact CD1-CB 4.08Å; L62-F198 HydrophobicContact CD2-CB 3.9Å; L62-F198 HydrophobicContact CD2-CD2 4.08Å; L62-F198 HydrophobicContact CD2-CG 4.45Å; K74-F198 HydrophobicContact CB-CE2 4.48Å; K74-F198 HydrophobicContact CB-CZ 4.15Å; K74-F198 HydrophobicContact CG-CE2 4.38Å; K74-F198 HydrophobicContact CG-CZ 4.35Å; H77-F198 HydrophobicContact CB-CD2 3.93Å; H77-F198 HydrophobicContact CB-CE2 3.42Å; H77-F198 VanDerWaalsContact CB-CE2 3.42Å; H77-F198 HydrophobicContact CB-CZ 3.8Å; H77-F198 AromaticContact CG-CE2 3.91Å; F81-F198 HydrophobicContact CD2-CD1 4.18Å; F81-F198 HydrophobicContact CD2-CE1 4.46Å; F81-F198 HydrophobicContact CE2-CB 3.75Å; F81-F198 AromaticContact CE2-CD1 3.6Å; F81-F198 HydrophobicContact CE2-CD1 3.6Å; F81-F198 HydrophobicContact CE2-CD2 4.07Å; F81-F198 HydrophobicContact CE2-CE1 4.18Å; F81-F198 AromaticContact CE2-CG 3.53Å; F81-F198 HydrophobicContact CE2-CG 3.53Å; F81-F198 HydrophobicContact CZ-CB 3.84Å; F81-F198 HydrophobicContact CZ-CD1 4.49Å; F81-F198 HydrophobicContact CZ-CG 4.15Å; R194-F198 VanDerWaalsContact O-CB 3.29Å; R194-F198 WeakPolarHBondContact O-CB 3.31Å; R194-F198 PolarHBondContact O-N 3.16Å; F195-F198 WeakPolarHBondContact O-CB 3.17Å; F195-F198 PolarHBondContact O-N 3.26Å; T196-F198 VanDerWaalsContact C-N 3.27Å; T196-F198 PolarHBondContact O-N 2.89Å; F198-V200 VanDerWaalsContact C-N 3.29Å; F198-V200 PolarHBondContact O-N 3.08Å; F198-R201 PolarHBondContact O-N 3.43Å; F198-F202 AromaticContact CD2-CD2 3.35Å; F198-F202 HydrophobicContact CD2-CD2 3.35Å; F198-F202 AromaticContact CD2-CE2 3.6Å; F198-F202 HydrophobicContact CD2-CE2 3.6Å; F198-F202 AromaticContact CE2-CD2 3.5Å; F198-F202 HydrophobicContact CE2-CD2 3.5Å; F198-F202 VanDerWaalsContact CE2-CD2 3.5Å; F198-F202 AromaticContact CE2-CE2 3.84Å; F198-F202 HydrophobicContact CE2-CE2 3.84Å; F198-F202 HydrophobicContact CE2-CG 4.39Å; F198-F202 HydrophobicContact CG-CD2 4.16Å; F198-F202 HydrophobicContact CZ-CD2 4.43Å; F198-F202 WeakPolarHBondContact O-CB 3.37Å; F198-F202 VanDerWaalsContact O-CD2 3.3Å; F198-F202 WeakPolarHBondContact O-CD2 3.45Å; F198-F202 PolarHBondContact O-N 3.12Å; F198-F202 VanDerWaalsContact O-N 3.08Å; F198-L204 HydrophobicContact CD1-CD1 4.04Å; F198-L204 HydrophobicContact CE1-CD1 3.28Å; F198-L204 HydrophobicContact CE2-CD1 4.45Å; F198-L204 HydrophobicContact CZ-CD1 3.52Å
199	V	96.8	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-29.2	-177	-59.6	0	0	0	0	113	C164 F195 T196 N203 L204 M205 L210	C164-V199 HydrophobicContact CB-CG1 3.9Å; F195-V199 HydrophobicContact CD1-CG1 4.13Å; F195-V199 HydrophobicContact CE1-CG1 3.59Å; F195-V199 HydrophobicContact CE2-CG1 4.31Å; F195-V199 HydrophobicContact CZ-CG1 3.7Å; F195-V199 PolarHBondContact O-N 2.95Å; T196-V199 VanDerWaalsContact O-CG2 3.3Å; T196-V199 WeakPolarHBondContact O-CG2 3.24Å; T196-V199 PolarHBondContact O-N 3.47Å; V199-N203 PolarHBondContact O-N 3.5Å; V199-L204 HydrophobicContact CB-CB 4.18Å; V199-L204 HydrophobicContact CG1-CB 4.32Å; V199-L204 PolarHBondContact O-N 3.38Å; V199-M205 HydrophobicContact CB-CB 4.05Å; V199-M205 HydrophobicContact CB-CG 4.08Å; V199-M205 HydrophobicContact CB-SD 4.26Å; V199-M205 HydrophobicContact CG1-CG 4.29Å; V199-M205 HydrophobicContact CG1-SD 4.08Å; V199-M205 HydrophobicContact CG2-CB 4.09Å; V199-M205 HydrophobicContact CG2-CG 4.37Å; V199-M205 HydrophobicContact CG2-SD 4.19Å; V199-M205 PolarHBondContact O-N 3.3Å; V199-L210 HydrophobicContact CG2-CD1 4.47Å; V199-L210 HydrophobicContact CG2-CD2 4.08Å
200	V	95.2	Very high	95.2	Very high	43 Å²	43	44.1 Å²	44.1	26%	0.261	21%	0.211	S	C	.	.	H	α-helix	trans	-75.5	-51.6	174.2	172.8	0	0	0	0	111	T196 F198 F202 N203 L207 L210 V217	T196-V200 WeakPolarHBondContact O-CG2 3.37Å; T196-V200 PolarHBondContact O-N 2.95Å; T196-V200 VanDerWaalsContact O-N 3.09Å; F198-V200 VanDerWaalsContact C-N 3.29Å; F198-V200 PolarHBondContact O-N 3.08Å; V200-F202 PolarHBondContact O-N 2.96Å; V200-F202 VanDerWaalsContact O-N 3.16Å; V200-N203 PolarHBondContact O-N 3.47Å; V200-N203 VanDerWaalsContact O-N 3.11Å; V200-L207 HydrophobicContact CG1-CD2 4.29Å; V200-L207 HydrophobicContact CG2-CD2 3.73Å; V200-L210 HydrophobicContact CG2-CD1 3.51Å; V200-V217 HydrophobicContact CB-CG1 3.89Å; V200-V217 HydrophobicContact CG1-CB 4.45Å; V200-V217 HydrophobicContact CG1-CG1 4.04Å; V200-V217 HydrophobicContact CG2-CG1 3.89Å
201	R	94.9	Very high	95.1	Very high	107 Å²	107	44.9 Å²	44.9	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-57.2	-34.1	-178.6	-171.9	173.3	-164	148.8	-0.5	112.8	D59 T63 N197 F198	D59-R201 IonicContact OD1-CZ 3.7Å; D59-R201 IonicContact OD1-NH1 2.66Å; D59-R201 PolarHBondContact OD1-NH1 3.06Å; T63-R201 PolarHBondContact OG1-NH2 3.5Å; N197-R201 WeakPolarHBondContact O-CB 3.26Å; N197-R201 PolarHBondContact O-N 3.37Å; F198-R201 PolarHBondContact O-N 3.43Å
202	F	95	Very high	94.9	Very high	19 Å²	19	45.2 Å²	45.2	8%	0.083	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	10.9	-178	-66.3	-65.4	0	0	0	114.2	E70 W73 K74 F198 V200 L204	E70-F202 HydrophobicContact CG-CD1 4.25Å; E70-F202 HydrophobicContact CG-CE1 4.05Å; W73-F202 AromaticContact CD1-CZ 3.49Å; W73-F202 VanDerWaalsContact CD1-CZ 3.49Å; W73-F202 AromaticContact NE1-CZ 3.63Å; K74-F202 HydrophobicContact CD-CB 4.27Å; K74-F202 HydrophobicContact CD-CD1 4.49Å; K74-F202 HydrophobicContact CD-CG 4.48Å; K74-F202 HydrophobicContact CG-CB 4.33Å; K74-F202 HydrophobicContact CG-CD1 4.24Å; K74-F202 HydrophobicContact CG-CG 4.14Å; F198-F202 AromaticContact CD2-CD2 3.35Å; F198-F202 HydrophobicContact CD2-CD2 3.35Å; F198-F202 AromaticContact CD2-CE2 3.6Å; F198-F202 HydrophobicContact CD2-CE2 3.6Å; F198-F202 AromaticContact CE2-CD2 3.5Å; F198-F202 HydrophobicContact CE2-CD2 3.5Å; F198-F202 VanDerWaalsContact CE2-CD2 3.5Å; F198-F202 AromaticContact CE2-CE2 3.84Å; F198-F202 HydrophobicContact CE2-CE2 3.84Å; F198-F202 HydrophobicContact CE2-CG 4.39Å; F198-F202 HydrophobicContact CG-CD2 4.16Å; F198-F202 HydrophobicContact CZ-CD2 4.43Å; F198-F202 WeakPolarHBondContact O-CB 3.37Å; F198-F202 VanDerWaalsContact O-CD2 3.3Å; F198-F202 WeakPolarHBondContact O-CD2 3.45Å; F198-F202 PolarHBondContact O-N 3.12Å; F198-F202 VanDerWaalsContact O-N 3.08Å; V200-F202 PolarHBondContact O-N 2.96Å; V200-F202 VanDerWaalsContact O-N 3.16Å; F202-L204 VanDerWaalsContact C-N 3.28Å; F202-L204 HydrophobicContact CB-CD1 4.12Å; F202-L204 HydrophobicContact CB-CG 4.07Å; F202-L204 PolarHBondContact O-N 3Å
203	N	94.5	Very high	94.4	Very high	114 Å²	114	48.3 Å²	48.3	61%	0.61	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	44.6	179	-168.3	27.9	0	0	0	113.6	V199 V200 Q206	V199-N203 PolarHBondContact O-N 3.5Å; V200-N203 PolarHBondContact O-N 3.47Å; V200-N203 VanDerWaalsContact O-N 3.11Å; N203-Q206 PolarHBondContact OD1-NE2 3.07Å
204	L	95.3	Very high	93	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	26%	0.258	C	S	.	.	S	Bend	trans	-90.7	-17.2	179	-63.7	173.1	0	0	0	112.3	K74 L160 A161 C164 F198 V199 F202	K74-L204 HydrophobicContact CD-CD2 4.4Å; L160-L204 HydrophobicContact CB-CD2 4.26Å; A161-L204 WeakPolarHBondContact CA-O 3.43Å; A161-L204 WeakPolarHBondContact CB-O 3.23Å; C164-L204 HydrophobicContact CB-CB 4.49Å; F198-L204 HydrophobicContact CD1-CD1 4.04Å; F198-L204 HydrophobicContact CE1-CD1 3.28Å; F198-L204 HydrophobicContact CE2-CD1 4.45Å; F198-L204 HydrophobicContact CZ-CD1 3.52Å; V199-L204 HydrophobicContact CB-CB 4.18Å; V199-L204 HydrophobicContact CG1-CB 4.32Å; V199-L204 PolarHBondContact O-N 3.38Å; F202-L204 VanDerWaalsContact C-N 3.28Å; F202-L204 HydrophobicContact CB-CD1 4.12Å; F202-L204 HydrophobicContact CB-CG 4.07Å; F202-L204 PolarHBondContact O-N 3Å
205	M	94.2	Very high	91.3	Very high	11 Å²	11	53.3 Å²	53.3	5%	0.054	27%	0.266	C	S	.	.	S	Bend	trans	-145.2	147.4	175.4	-67.5	-178.4	53.2	0	0	110.4	C164 R165 Y168 F195 V199 H209 L210	C164-M205 VanDerWaalsContact C-SD 3.53Å; C164-M205 HydrophobicContact CB-CG 4.04Å; C164-M205 HydrophobicContact CB-SD 3.93Å; R165-M205 HydrophobicContact CG-CE 4.11Å; R165-M205 HydrophobicContact CG-CG 3.94Å; R165-M205 HydrophobicContact CG-SD 4.15Å; Y168-M205 HydrophobicContact CD1-CE 3.92Å; Y168-M205 HydrophobicContact CG-CE 3.82Å; Y168-M205 HydrophobicContact CG-SD 4.41Å; F195-M205 HydrophobicContact CE1-SD 4.4Å; V199-M205 HydrophobicContact CB-CB 4.05Å; V199-M205 HydrophobicContact CB-CG 4.08Å; V199-M205 HydrophobicContact CB-SD 4.26Å; V199-M205 HydrophobicContact CG1-CG 4.29Å; V199-M205 HydrophobicContact CG1-SD 4.08Å; V199-M205 HydrophobicContact CG2-CB 4.09Å; V199-M205 HydrophobicContact CG2-CG 4.37Å; V199-M205 HydrophobicContact CG2-SD 4.19Å; V199-M205 PolarHBondContact O-N 3.3Å; M205-H209 HydrophobicContact CE-CB 4.16Å; M205-L210 HydrophobicContact CE-CD2 3.83Å
206	Q	91.8	Very high	89.3	Confident	99 Å²	99	60 Å²	60	46%	0.463	30%	0.302	S	S	.	.			trans	-78.6	148.4	173.1	-58.6	-60	-48.9	0	0	110.9	N203 E208 H209	N203-Q206 PolarHBondContact OD1-NE2 3.07Å; Q206-E208 VanDerWaalsContact C-N 3.25Å; Q206-E208 VanDerWaalsContact CB-OE2 3.27Å; Q206-E208 WeakPolarHBondContact CB-OE2 3.27Å; Q206-E208 PolarHBondContact O-N 3.45Å; Q206-H209 PolarHBondContact O-N 2.85Å
207	L	90.7	Very high	87.6	Confident	105 Å²	105	61.6 Å²	61.6	55%	0.55	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.8	-32.6	-174.7	-73.4	170.1	0	0	0	112.5	V200 H209 L210	V200-L207 HydrophobicContact CG1-CD2 4.29Å; V200-L207 HydrophobicContact CG2-CD2 3.73Å; L207-H209 PolarHBondContact O-N 3.22Å; L207-L210 HydrophobicContact CD2-CD1 4.13Å; L207-L210 WeakPolarHBondContact O-CB 3.33Å; L207-L210 PolarHBondContact O-N 2.94Å
208	E	90.1	Very high	85.5	Confident	146 Å²	146	63.2 Å²	63.2	68%	0.682	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.7	-19.5	-177.8	-54.4	73.1	-154.7	0	0	112.5	Q206 L210	Q206-E208 VanDerWaalsContact C-N 3.25Å; Q206-E208 VanDerWaalsContact CB-OE2 3.27Å; Q206-E208 WeakPolarHBondContact CB-OE2 3.27Å; Q206-E208 PolarHBondContact O-N 3.45Å; E208-L210 VanDerWaalsContact C-N 3.34Å
209	H	91.5	Very high	82.7	Confident	99 Å²	99	69.6 Å²	69.6	46%	0.458	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-85.5	-7.8	175.3	-59.5	133.9	0	0	0	113.2	Y168 M205 Q206 L207 I211	Y168-H209 WeakPolarHBondContact CE1-O 3.23Å; M205-H209 HydrophobicContact CE-CB 4.16Å; Q206-H209 PolarHBondContact O-N 2.85Å; L207-H209 PolarHBondContact O-N 3.22Å; H209-I211 PolarHBondContact O-N 2.87Å
210	L	93.9	Very high	80	Confident	26 Å²	26	75.7 Å²	75.7	14%	0.136	41%	0.41	C	S	.	.			trans	-92.9	85.5	-177.7	-60.7	174	0	0	0	110.4	Y168 T196 V199 V200 M205 L207 E208	Y168-L210 HydrophobicContact CD1-CD2 4.23Å; Y168-L210 HydrophobicContact CD2-CD2 3.88Å; Y168-L210 HydrophobicContact CE1-CD2 3.91Å; Y168-L210 HydrophobicContact CE2-CD2 3.52Å; Y168-L210 HydrophobicContact CG-CD2 4.22Å; Y168-L210 WeakPolarHBondContact OH-CA 3.45Å; T196-L210 HydrophobicContact CG2-CD1 3.72Å; T196-L210 HydrophobicContact CG2-CD2 4.18Å; T196-L210 HydrophobicContact CG2-CG 4.45Å; V199-L210 HydrophobicContact CG2-CD1 4.47Å; V199-L210 HydrophobicContact CG2-CD2 4.08Å; V200-L210 HydrophobicContact CG2-CD1 3.51Å; M205-L210 HydrophobicContact CE-CD2 3.83Å; L207-L210 HydrophobicContact CD2-CD1 4.13Å; L207-L210 WeakPolarHBondContact O-CB 3.33Å; L207-L210 PolarHBondContact O-N 2.94Å; E208-L210 VanDerWaalsContact C-N 3.34Å
211	I	93.9	Very high	77	Confident	66 Å²	66	78.2 Å²	78.2	34%	0.338	43%	0.43	S	S	.	.			trans	-86.7	-13.2	-171.7	60.1	167.5	0	0	0	115.1	A106 Y168 F176 H209 P213	A106-I211 HydrophobicContact CB-CD1 3.85Å; Y168-I211 HydrophobicContact CE1-CG1 4.31Å; Y168-I211 PolarHBondContact OH-N 3.3Å; F176-I211 HydrophobicContact CD2-CD1 4.42Å; F176-I211 HydrophobicContact CE2-CD1 3.75Å; F176-I211 HydrophobicContact CE2-CG1 3.98Å; H209-I211 PolarHBondContact O-N 2.87Å; I211-P213 WeakPolarHBondContact O-CD 2.98Å
212	I	94.8	Very high	74	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.041	45%	0.452	C	S	.	.	S	Bend	trans	-75	122.8	177.6	-59.6	169.9	0	0	0	108.5	Y168 F171 Y175 F176 F215	Y168-I212 HydrophobicContact CE2-CD1 4.14Å; Y168-I212 WeakPolarHBondContact OH-CB 3.43Å; Y168-I212 PolarHBondContact OH-N 3.49Å; Y168-I212 VanDerWaalsContact OH-N 3.07Å; F171-I212 HydrophobicContact CB-CD1 3.73Å; Y175-I212 HydrophobicContact CD1-CG1 4.41Å; Y175-I212 HydrophobicContact CD1-CG2 4.19Å; Y175-I212 HydrophobicContact CD2-CG2 3.61Å; Y175-I212 HydrophobicContact CE1-CG2 4.37Å; Y175-I212 HydrophobicContact CE2-CG2 3.8Å; Y175-I212 HydrophobicContact CG-CG1 4.2Å; Y175-I212 HydrophobicContact CG-CG2 3.82Å; F176-I212 HydrophobicContact CE2-CG1 4.47Å; I212-F215 HydrophobicContact CB-CE2 3.93Å; I212-F215 HydrophobicContact CB-CZ 4.11Å; I212-F215 HydrophobicContact CG2-CE2 4.22Å; I212-F215 HydrophobicContact CG2-CZ 4.07Å; I212-F215 WeakPolarHBondContact O-CE2 3.38Å
213	P	86.8	Confident	70.9	Confident	65 Å²	65	82.2 Å²	82.2	42%	0.422	48%	0.482	S	S	.	.	S	Bend	trans	-64.1	147.7	174.5	-18.6	31.6	0	0	0	111.4	Y175 I211	Y175-P213 HydrophobicContact CE1-CG 4.46Å; I211-P213 WeakPolarHBondContact O-CD 2.98Å
214	N	66.8	Low	67.7	Low	136 Å²	136	82.2 Å²	82.2	73%	0.727	49%	0.492	S	S	*	.			trans	93	56.2	171.1	-46.8	-30	0	0	0	118.1
215	F	61.3	Low	64.6	Low	40 Å²	40	90.4 Å²	90.4	18%	0.175	53%	0.529	C	S	.	.			trans	-112.3	106	158.3	-54	-72.5	0	0	0	107.6	K193 T196 I212 V217	K193-F215 HydrophobicContact CB-CD1 4.49Å; K193-F215 HydrophobicContact CB-CE1 4.42Å; K193-F215 HydrophobicContact CG-CD1 4.17Å; T196-F215 VanDerWaalsContact CB-CE1 3.41Å; T196-F215 HydrophobicContact CG2-CB 3.99Å; T196-F215 HydrophobicContact CG2-CD1 3.69Å; T196-F215 HydrophobicContact CG2-CD2 3.34Å; T196-F215 HydrophobicContact CG2-CE1 4.03Å; T196-F215 HydrophobicContact CG2-CE2 3.67Å; T196-F215 HydrophobicContact CG2-CG 3.34Å; T196-F215 HydrophobicContact CG2-CZ 4.02Å; T196-F215 WeakPolarHBondContact OG1-CE1 3.38Å; T196-F215 WeakPolarHBondContact OG1-CE2 3.19Å; T196-F215 WeakPolarHBondContact OG1-CZ 3.41Å; I212-F215 HydrophobicContact CB-CE2 3.93Å; I212-F215 HydrophobicContact CB-CZ 4.11Å; I212-F215 HydrophobicContact CG2-CE2 4.22Å; I212-F215 HydrophobicContact CG2-CZ 4.07Å; I212-F215 WeakPolarHBondContact O-CE2 3.38Å; F215-V217 HydrophobicContact CB-CB 4.36Å; F215-V217 HydrophobicContact CB-CG1 4.08Å; F215-V217 HydrophobicContact CB-CG2 3.86Å; F215-V217 VanDerWaalsContact O-CG2 3.24Å; F215-V217 WeakPolarHBondContact O-CG2 3.25Å; F215-V217 PolarHBondContact O-N 3.11Å
216	D	57.2	Low	61.4	Low	140 Å²	140	94.1 Å²	94.1	75%	0.749	56%	0.562	S	S	*	*			trans	-58.7	70.3	145.6	-70.4	-40.4	0	0	0	106.5	G218	D216-G218 PolarHBondContact O-N 2.95Å
217	V	60.6	Low	58.2	Low	35 Å²	35	96.6 Å²	96.6	21%	0.212	58%	0.578	C	S	.	*			trans	-75.1	108.8	169.8	-107.1	0	0	0	0	104.2	T196 V200 F215 V219	T196-V217 HydrophobicContact CG2-CG1 4.41Å; V200-V217 HydrophobicContact CB-CG1 3.89Å; V200-V217 HydrophobicContact CG1-CB 4.45Å; V200-V217 HydrophobicContact CG1-CG1 4.04Å; V200-V217 HydrophobicContact CG2-CG1 3.89Å; F215-V217 HydrophobicContact CB-CB 4.36Å; F215-V217 HydrophobicContact CB-CG1 4.08Å; F215-V217 HydrophobicContact CB-CG2 3.86Å; F215-V217 VanDerWaalsContact O-CG2 3.24Å; F215-V217 WeakPolarHBondContact O-CG2 3.25Å; F215-V217 PolarHBondContact O-N 3.11Å; V217-V219 PolarHBondContact O-N 3.17Å
218	G	53.1	Low	55.2	Low	56 Å²	56	101 Å²	101	58%	0.577	60%	0.596	S	S	*	*			trans	-49.3	108.7	176.2	0	0	0	0	0	108.8	D216 T220	D216-G218 PolarHBondContact O-N 2.95Å; G218-T220 VanDerWaalsContact C-N 3.27Å; G218-T220 PolarHBondContact O-N 3.42Å; G218-T220 PolarHBondContact O-OG1 2.72Å
219	V	38.6	Very low	52	Low	133 Å²	133	97.3 Å²	97.3	81%	0.806	60%	0.597	S	S	*	*			trans	-63.1	90.8	-175.8	-179.1	0	0	0	0	107.6	V217	V217-V219 PolarHBondContact O-N 3.17Å
220	T	39.1	Very low	48.8	Very low	128 Å²	128	102 Å²	102	79%	0.785	62%	0.619	S	S	*	*			trans	-96.5	96.6	165.4	-33.1	0	0	0	0	104.9	G218 A222	G218-T220 VanDerWaalsContact C-N 3.27Å; G218-T220 PolarHBondContact O-N 3.42Å; G218-T220 PolarHBondContact O-OG1 2.72Å; T220-A222 PolarHBondContact O-N 2.67Å
221	S	32.9	Very low	45.5	Very low	97 Å²	97	105.6 Å²	105.6	68%	0.678	65%	0.652	S	S	*	*			trans	-40.4	122.1	-174.1	-49.4	0	0	0	0	112.8	S223	S221-S223 PolarHBondContact O-N 2.59Å
222	A	32.1	Very low	42.2	Very low	107 Å²	107	108.6 Å²	108.6	88%	0.884	68%	0.678	S	S	*	*			trans	-60.1	97	163.3	0	0	0	0	0	108.8	T220 S224	T220-A222 PolarHBondContact O-N 2.67Å; A222-S224 PolarHBondContact O-N 3.46Å
223	S	30.4	Very low	38.7	Very low	102 Å²	102	116.2 Å²	116.2	71%	0.713	71%	0.713	S	S	*	*			trans	-77.2	108.6	168.1	38.2	0	0	0	0	109	S221 H225	S221-S223 PolarHBondContact O-N 2.59Å; S223-H225 PolarHBondContact O-N 3.44Å
224	S	26.8	Very low	35.7	Very low	115 Å²	115	118.7 Å²	118.7	80%	0.804	73%	0.728	S	S	*	*			trans	-43.2	115.3	162	51.5	0	0	0	0	111.7	A222	A222-S224 PolarHBondContact O-N 3.46Å
225	H	30.3	Very low	33.7	Very low	185 Å²	185	118.7 Å²	118.7	86%	0.856	73%	0.733	S	S	*	*			trans	-121.3	109	157.7	-110.7	-73.4	0	0	0	108.4	S223	S223-H225 PolarHBondContact O-N 3.44Å
226	A	26.5	Very low	32	Very low	89 Å²	89	125.2 Å²	125.2	74%	0.736	77%	0.77	S	S	*	*			trans	-68.1	138.4	173.4	0	0	0	0	0	110.4
227	D	25.6	Very low	30.5	Very low	151 Å²	151	121.7 Å²	121.7	81%	0.807	77%	0.766	S	S	*	*			trans	54.2	103.3	135.6	-153.5	20.8	0	0	0	118.1
228	E	27	Very low	28.9	Very low	197 Å²	197	124.6 Å²	124.6	92%	0.921	79%	0.788	S	S	*	*			trans	-154.4	110	138.7	-112.5	173.6	167.3	0	0	108.9
229	G	22	Very low	28.1	Very low	69 Å²	69	127.7 Å²	127.7	71%	0.711	79%	0.791	S	S	*	*			trans	-73.3	140.2	-179.3	0	0	0	0	0	113
230	Q	25.8	Very low	27.6	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	78%	0.783	S	S	*	*			trans	-153.2	121.8	147.4	-139.5	157.5	12.8	0	0	111.5
231	A	24.6	Very low	27.5	Very low	101 Å²	101	124.7 Å²	124.7	84%	0.835	77%	0.765	S	S	*	*			trans	-70.9	131.1	178.9	0	0	0	0	0	111.2
232	C	23.8	Very low	27.5	Very low	130 Å²	130	124.8 Å²	124.8	88%	0.878	76%	0.762	S	S	*	*			trans	-141.4	129.2	158.1	-169	0	0	0	0	109.9
233	Q	21.1	Very low	27.7	Very low	167 Å²	167	126.2 Å²	126.2	78%	0.78	75%	0.753	S	S	*	*			trans	-86.1	151.9	-169.4	-71.1	176.4	6.2	0	0	113
234	T	24	Very low	27.8	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	75%	0.753	S	S	*	*			trans	70.4	114	149.5	57.6	0	0	0	0	119.8
235	T	25.3	Very low	28.1	Very low	136 Å²	136	127.9 Å²	127.9	83%	0.834	75%	0.749	S	S	*	*				-178.9	116.9	92.6	33.5	0	0	0	0	111.5
236	D	24.5	Very low	28.1	Very low	177 Å²	177	122.5 Å²	122.5	95%	0.947	74%	0.744	S	S	*	*			trans	26.6	134.3	144.2	-132.3	-14.9	0	0	0	122.8
237	G	25.8	Very low	28.2	Very low	66 Å²	66	124.7 Å²	124.7	68%	0.68	75%	0.748	S	S	*	*			trans	127.3	34.2	177.1	0	0	0	0	0	114.6	L239	G237-L239 PolarHBondContact O-N 2.8Å
238	S	27.8	Very low	29	Very low	95 Å²	95	127.8 Å²	127.8	66%	0.664	77%	0.772	S	S	*	*			trans	-80.8	110.9	170.2	-176.6	0	0	0	0	109.6	N240	S238-N240 VanDerWaalsContact C-N 3.34Å; S238-N240 PolarHBondContact O-N 3.18Å; S238-N240 VanDerWaalsContact O-N 3.08Å; S238-N240 PolarHBondContact OG-OD1 3.33Å
239	L	35.5	Very low	29.1	Very low	122 Å²	122	124.4 Å²	124.4	64%	0.639	77%	0.765	S	S	*	*			trans	-69.3	96.7	160.7	-76.8	161.9	0	0	0	106.7	G237 D241	G237-L239 PolarHBondContact O-N 2.8Å; L239-D241 PolarHBondContact O-N 3.19Å; L239-D241 VanDerWaalsContact O-N 3.09Å
240	N	29.3	Very low	29.5	Very low	122 Å²	122	127.3 Å²	127.3	65%	0.652	77%	0.767	S	S	*	*			trans	-62.5	109.1	176.4	-72.7	-13.5	0	0	0	109.7	S238 T242	S238-N240 VanDerWaalsContact C-N 3.34Å; S238-N240 PolarHBondContact O-N 3.18Å; S238-N240 VanDerWaalsContact O-N 3.08Å; S238-N240 PolarHBondContact OG-OD1 3.33Å; N240-T242 PolarHBondContact O-N 3.01Å
241	D	37	Very low	29.7	Very low	75 Å²	75	123.4 Å²	123.4	40%	0.401	76%	0.759	S	S	.	*			trans	-78.2	99	165.5	-75.4	-33	0	0	0	107.2	R165 L239 I243	R165-D241 IonicContact NH2-OD2 3.5Å; L239-D241 PolarHBondContact O-N 3.19Å; L239-D241 VanDerWaalsContact O-N 3.09Å; D241-I243 PolarHBondContact O-N 3.02Å
242	T	32.2	Very low	30	Very low	100 Å²	100	124.7 Å²	124.7	61%	0.613	75%	0.754	S	S	*	*			trans	-84.2	108.5	172.1	-54.1	0	0	0	0	109.2	N240 L244	N240-T242 PolarHBondContact O-N 3.01Å; T242-L244 HydrophobicContact CG2-CD2 4.13Å; T242-L244 HydrophobicContact CG2-CG 4.09Å; T242-L244 PolarHBondContact O-N 3.37Å
243	I	36.3	Very low	30.4	Very low	136 Å²	136	124.4 Å²	124.4	70%	0.697	75%	0.747	S	S	*	*			trans	-78.8	106.9	161.5	-61.2	171.3	0	0	0	105.8	D241 T245	D241-I243 PolarHBondContact O-N 3.02Å; I243-T245 PolarHBondContact O-N 3.12Å
244	L	32.1	Very low	31	Very low	136 Å²	136	121.5 Å²	121.5	71%	0.712	74%	0.744	S	S	*	*			trans	-79.6	109.5	171.7	-78.9	171.3	0	0	0	108.8	W110 T242 G246	W110-L244 WeakPolarHBondContact CZ3-O 3.48Å; T242-L244 HydrophobicContact CG2-CD2 4.13Å; T242-L244 HydrophobicContact CG2-CG 4.09Å; T242-L244 PolarHBondContact O-N 3.37Å; L244-G246 PolarHBondContact O-N 3.11Å; L244-G246 VanDerWaalsContact O-N 3.12Å
245	T	33.9	Very low	31.5	Very low	116 Å²	116	121.8 Å²	121.8	71%	0.712	75%	0.746	S	S	*	*			trans	-71.2	95	164.9	51.2	0	0	0	0	108.4	I243 T247	I243-T245 PolarHBondContact O-N 3.12Å; T245-T247 PolarHBondContact O-N 3.36Å
246	G	30.3	Very low	32	Very low	73 Å²	73	120.7 Å²	120.7	75%	0.753	74%	0.739	S	S	*	*			trans	-78.4	105.5	170.8	0	0	0	0	0	110.2	L244	L244-G246 PolarHBondContact O-N 3.11Å; L244-G246 VanDerWaalsContact O-N 3.12Å
247	T	28	Very low	32.6	Very low	135 Å²	135	116 Å²	116	83%	0.828	72%	0.722	S	S	*	*			trans	-78	131.6	159.9	36.9	0	0	0	0	109.5	T245	T245-T247 PolarHBondContact O-N 3.36Å
248	V	43.6	Very low	33.3	Very low	216 Å²	216	120.5 Å²	120.5	100%	1.309	73%	0.726	S	S	*	*			trans	-97.6	0	148.2	-179.5	0	0	0	0	107.2

Retrieved 248 of 248 residues in 105.5 ms (Link to these results)

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