A0A3Q0KL10_SCHMA Loading...

Outer dynein arm-docking complex subunit 4

AlphaFold DB , UniProt , Accession A0A3Q0KL10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 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	36.5	Very low	35.2	Very low	236 Å²	236	172.2 Å²	172.2	100%	1.163	87%	0.872	S	S	*	*				0	137.9	0	-74.8	-158.3	171.4	0	0	108.2
2	S	34.7	Very low	35.4	Very low	117 Å²	117	164 Å²	164	82%	0.818	85%	0.85	S	S	*	*			trans	72.5	135.2	-176	80	0	0	0	0	115.6
3	R	37.2	Very low	35.9	Very low	237 Å²	237	161.3 Å²	161.3	89%	0.894	85%	0.849	S	S	*	*			cis	-158.5	116.6	-10.7	-117.9	173.5	-179.6	173.3	-0.9	105.3
4	S	34.8	Very low	37.4	Very low	126 Å²	126	159.4 Å²	159.4	88%	0.881	83%	0.83	S	S	*	*			trans	-92.4	109.4	173.7	52.3	0	0	0	0	109.4
5	S	34.6	Very low	39.2	Very low	100 Å²	100	152.3 Å²	152.3	70%	0.699	80%	0.799	S	S	*	*			trans	-162	96.4	172.3	59	0	0	0	0	111.6
6	S	35.8	Very low	41.6	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	78%	0.78	S	S	*	*	S	Bend	trans	-170.3	-7.7	158.9	44.5	0	0	0	0	120.2
7	E	39.2	Very low	44.2	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	74%	0.738	S	S	*	*			trans	-130.3	11.3	-167.8	-74.6	-174	168	0	0	119.2	R9	E7-R9 PolarHBondContact O-N 2.89Å
8	E	33.9	Very low	46.2	Very low	202 Å²	202	137.9 Å²	137.9	94%	0.944	73%	0.725	S	S	*	*			trans	-82.3	80.6	167.3	-75.9	-176.4	155.4	0	0	111.3
9	R	32.2	Very low	48.1	Very low	228 Å²	228	133.9 Å²	133.9	86%	0.86	71%	0.707	S	S	*	*			trans	-105.5	106.8	163	-70.1	-170.2	-159.2	-171.8	6.6	110.5	E7	E7-R9 PolarHBondContact O-N 2.89Å
10	N	31.2	Very low	50	Low	164 Å²	164	128.7 Å²	128.7	88%	0.877	68%	0.677	S	S	*	*			trans	42.3	86.5	148.7	-70.6	-16.3	0	0	0	118.5	A12	N10-A12 PolarHBondContact O-N 3.47Å
11	K	37	Very low	51.9	Low	193 Å²	193	126.4 Å²	126.4	84%	0.839	66%	0.659	S	S	*	*			trans	-85.2	96.4	161.1	-76.8	175.8	-178.7	169.3	0	109.9
12	A	38	Very low	54.2	Low	74 Å²	74	118.4 Å²	118.4	61%	0.612	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-56.8	151.5	164.8	0	0	0	0	0	110.9	N10 K14	N10-A12 PolarHBondContact O-N 3.47Å; A12-K14 PolarHBondContact O-N 3.31Å; A12-K14 VanDerWaalsContact O-N 3.07Å
13	P	42.4	Very low	56.8	Low	129 Å²	129	116.4 Å²	116.4	84%	0.838	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.4	176.8	24.8	-31.4	0	0	0	109.1
14	K	56.7	Low	59.3	Low	134 Å²	134	105.1 Å²	105.1	58%	0.583	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-73.5	127	-176.9	-81.8	162.9	160.5	-159.4	0	109.4	A12	A12-K14 PolarHBondContact O-N 3.31Å; A12-K14 VanDerWaalsContact O-N 3.07Å
15	C	63.8	Low	61.9	Low	54 Å²	54	101 Å²	101	37%	0.365	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-66.6	156.2	-175.7	-68.6	0	0	0	0	112.6	V19 Y20	C15-V19 HydrophobicContact CB-CB 4.18Å; C15-V19 HydrophobicContact CB-CG1 4.21Å; C15-Y20 HydrophobicContact CB-CD2 4.37Å; C15-Y20 HydrophobicContact CB-CE1 4.22Å; C15-Y20 HydrophobicContact CB-CE2 3.75Å; C15-Y20 PolarHBondContact N-OH 3.05Å; C15-Y20 VanDerWaalsContact O-CE2 3.24Å; C15-Y20 WeakPolarHBondContact O-CE2 3.44Å
16	P	78.6	Confident	64.5	Low	77 Å²	77	98.4 Å²	98.4	50%	0.5	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-59.5	153.4	173.5	-21	31.2	0	0	0	112.8	E18 V19 Y20	P16-E18 PolarHBondContact O-N 3.15Å; P16-V19 HydrophobicContact CB-CG2 4.26Å; P16-V19 HydrophobicContact CG-CG2 4.15Å; P16-V19 WeakPolarHBondContact O-CB 3.4Å; P16-V19 PolarHBondContact O-N 3.49Å; P16-V19 VanDerWaalsContact O-N 3.08Å; P16-Y20 PolarHBondContact O-N 3.15Å
17	F	84.9	Confident	67.2	Low	14 Å²	14	95.2 Å²	95.2	6%	0.061	49%	0.487	C	S	.	.	H	α-helix	trans	-51.5	-42.5	177.2	164.9	-95.4	0	0	0	112.4	V19 Y20 R21 A43 R46 K47 D50	F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 3.39Å; F17-Y20 PolarHBondContact O-N 3.39Å; F17-R21 HydrophobicContact CE1-CB 4.49Å; F17-R21 WeakPolarHBondContact O-CB 3.21Å; F17-R21 PolarHBondContact O-N 3.23Å; F17-A43 HydrophobicContact CD2-CB 4.06Å; F17-A43 VanDerWaalsContact CD2-O 3.28Å; F17-A43 WeakPolarHBondContact CD2-O 3.22Å; F17-A43 HydrophobicContact CE2-CB 3.98Å; F17-R46 HydrophobicContact CB-CB 4.15Å; F17-R46 HydrophobicContact CD2-CB 4.28Å; F17-K47 HydrophobicContact CB-CD 4.42Å; F17-K47 HydrophobicContact CD1-CD 3.84Å; F17-K47 HydrophobicContact CD2-CB 3.89Å; F17-K47 HydrophobicContact CD2-CD 3.86Å; F17-K47 HydrophobicContact CD2-CG 3.96Å; F17-K47 HydrophobicContact CE1-CD 4.01Å; F17-K47 HydrophobicContact CE2-CB 3.85Å; F17-K47 HydrophobicContact CE2-CD 4.04Å; F17-K47 HydrophobicContact CE2-CG 4.3Å; F17-K47 HydrophobicContact CG-CD 3.75Å; F17-K47 HydrophobicContact CG-CG 4.2Å; F17-K47 HydrophobicContact CZ-CD 4.12Å; F17-D50 HydrophobicContact CE2-CB 4.08Å; F17-D50 HydrophobicContact CZ-CB 3.81Å
18	E	79.6	Confident	69.6	Low	107 Å²	107	87.8 Å²	87.8	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-64.6	-31.1	-176.9	-65.5	70.9	-153.2	0	0	112.3	P16 S22 K47	P16-E18 PolarHBondContact O-N 3.15Å; E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.01Å; E18-S22 PolarHBondContact O-OG 3.11Å; E18-K47 IonicContact OE1-NZ 3.17Å; E18-K47 PolarHBondContact OE1-NZ 3.14Å; E18-K47 VanDerWaalsContact OE1-NZ 3.17Å
19	V	82.2	Confident	72.2	Confident	62 Å²	62	85.4 Å²	85.4	38%	0.376	44%	0.443	S	S	.	.	H	α-helix	trans	-69.3	-49.5	175.7	179.9	0	0	0	0	110.4	C15 P16 F17 R21 S22 E23	C15-V19 HydrophobicContact CB-CB 4.18Å; C15-V19 HydrophobicContact CB-CG1 4.21Å; P16-V19 HydrophobicContact CB-CG2 4.26Å; P16-V19 HydrophobicContact CG-CG2 4.15Å; P16-V19 WeakPolarHBondContact O-CB 3.4Å; P16-V19 PolarHBondContact O-N 3.49Å; P16-V19 VanDerWaalsContact O-N 3.08Å; F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 3.39Å; V19-R21 VanDerWaalsContact C-N 3.31Å; V19-R21 PolarHBondContact O-N 3.39Å; V19-S22 PolarHBondContact O-N 2.88Å; V19-S22 PolarHBondContact O-OG 3.3Å; V19-E23 VanDerWaalsContact O-CB 3.31Å; V19-E23 WeakPolarHBondContact O-CB 3.44Å; V19-E23 PolarHBondContact O-N 3.14Å
20	Y	86.8	Confident	74.9	Confident	29 Å²	29	81.3 Å²	81.3	11%	0.114	43%	0.431	C	S	.	.	H	α-helix	trans	-63.8	-37.1	177.9	-68.4	-56.7	0	0	0	112.6	C15 P16 F17 E23 G24 Q42	C15-Y20 HydrophobicContact CB-CD2 4.37Å; C15-Y20 HydrophobicContact CB-CE1 4.22Å; C15-Y20 HydrophobicContact CB-CE2 3.75Å; C15-Y20 PolarHBondContact N-OH 3.05Å; C15-Y20 VanDerWaalsContact O-CE2 3.24Å; C15-Y20 WeakPolarHBondContact O-CE2 3.44Å; P16-Y20 PolarHBondContact O-N 3.15Å; F17-Y20 PolarHBondContact O-N 3.39Å; Y20-E23 PolarHBondContact O-N 3.43Å; Y20-G24 PolarHBondContact O-N 3.09Å; Y20-Q42 HydrophobicContact CD1-CB 3.8Å; Y20-Q42 HydrophobicContact CD2-CB 4.21Å; Y20-Q42 HydrophobicContact CE1-CB 4.03Å; Y20-Q42 HydrophobicContact CE1-CG 4.49Å; Y20-Q42 HydrophobicContact CE2-CB 4.4Å; Y20-Q42 HydrophobicContact CG-CB 3.9Å
21	R	89.1	Confident	77.6	Confident	80 Å²	80	76.8 Å²	76.8	30%	0.302	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-49	173.6	178.2	179	168	174.9	-0.3	111.7	F17 V19 E23 G24 D25 H52	F17-R21 HydrophobicContact CE1-CB 4.49Å; F17-R21 WeakPolarHBondContact O-CB 3.21Å; F17-R21 PolarHBondContact O-N 3.23Å; V19-R21 VanDerWaalsContact C-N 3.31Å; V19-R21 PolarHBondContact O-N 3.39Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 2.97Å; R21-G24 PolarHBondContact O-N 2.93Å; R21-D25 PolarHBondContact O-N 3.42Å; R21-H52 PolarHBondContact NE-CD2 3.48Å; R21-H52 PolarHBondContact NH2-CD2 3.27Å; R21-H52 PolarHBondContact NH2-NE2 3.37Å
22	S	85.8	Confident	80.1	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-34.2	178.9	60.5	0	0	0	0	112.7	E18 V19 D25 A26	E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.01Å; E18-S22 PolarHBondContact O-OG 3.11Å; V19-S22 PolarHBondContact O-N 2.88Å; V19-S22 PolarHBondContact O-OG 3.3Å; S22-D25 PolarHBondContact O-N 3.44Å; S22-A26 VanDerWaalsContact O-CB 3.3Å; S22-A26 WeakPolarHBondContact O-CB 2.99Å; S22-A26 PolarHBondContact O-N 3.18Å
23	E	88.6	Confident	82.7	Confident	76 Å²	76	71.2 Å²	71.2	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-44.5	173	-179.1	174.2	-166.2	0	0	111.5	V19 Y20 R21 A26 F27 A39	V19-E23 VanDerWaalsContact O-CB 3.31Å; V19-E23 WeakPolarHBondContact O-CB 3.44Å; V19-E23 PolarHBondContact O-N 3.14Å; Y20-E23 PolarHBondContact O-N 3.43Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 2.97Å; E23-A26 PolarHBondContact O-N 3.43Å; E23-F27 HydrophobicContact CG-CD2 3.76Å; E23-F27 HydrophobicContact CG-CE2 3.33Å; E23-F27 HydrophobicContact CG-CZ 4.17Å; E23-F27 WeakPolarHBondContact O-CD2 3.49Å; E23-F27 WeakPolarHBondContact O-CG 3.35Å; E23-F27 PolarHBondContact O-N 3.07Å; E23-F27 WeakPolarHBondContact OE1-CE2 3.41Å; E23-A39 HydrophobicContact CB-CB 4.44Å; E23-A39 HydrophobicContact CG-CB 4.19Å
24	G	90.8	Very high	85.1	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-47.5	172.9	0	0	0	0	0	112.2	Y20 R21 A26 F27 L28 Y40	Y20-G24 PolarHBondContact O-N 3.09Å; R21-G24 PolarHBondContact O-N 2.93Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.04Å; G24-F27 PolarHBondContact O-N 2.75Å; G24-L28 VanDerWaalsContact O-CB 3.31Å; G24-L28 WeakPolarHBondContact O-CB 3.04Å; G24-L28 PolarHBondContact O-N 3.3Å; G24-Y40 VanDerWaalsContact C-CZ 3.44Å; G24-Y40 VanDerWaalsContact C-OH 3.26Å; G24-Y40 PolarHBondContact O-OH 3.07Å
25	D	89.6	Confident	86.7	Confident	40 Å²	40	70.3 Å²	70.3	21%	0.214	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.2	176.2	-70.9	-20	0	0	0	111.4	R21 S22 L28 M29 Y40 H52 R56	R21-D25 PolarHBondContact O-N 3.42Å; S22-D25 PolarHBondContact O-N 3.44Å; D25-L28 PolarHBondContact O-N 3.33Å; D25-M29 VanDerWaalsContact O-CG 3.23Å; D25-M29 WeakPolarHBondContact O-CG 3.49Å; D25-M29 PolarHBondContact O-N 3.05Å; D25-Y40 WeakPolarHBondContact CA-OH 3.39Å; D25-Y40 PolarHBondContact N-OH 3.34Å; D25-Y40 PolarHBondContact OD1-OH 2.89Å; D25-H52 IonicContact OD1-NE2 3.86Å; D25-H52 IonicContact OD2-NE2 3.21Å; D25-H52 PolarHBondContact OD2-NE2 2.9Å; D25-R56 IonicContact OD1-NE 3.49Å
26	A	88.6	Confident	88.1	Confident	44 Å²	44	67.7 Å²	67.7	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-38.7	176.2	0	0	0	0	0	112.5	S22 E23 G24 K30	S22-A26 VanDerWaalsContact O-CB 3.3Å; S22-A26 WeakPolarHBondContact O-CB 2.99Å; S22-A26 PolarHBondContact O-N 3.18Å; E23-A26 PolarHBondContact O-N 3.43Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.04Å; A26-K30 WeakPolarHBondContact O-CG 3.36Å; A26-K30 PolarHBondContact O-N 3.43Å; A26-K30 VanDerWaalsContact O-N 3.14Å
27	F	91.4	Very high	88.9	Confident	44 Å²	44	64.7 Å²	64.7	19%	0.193	32%	0.315	C	S	.	.	H	α-helix	trans	-70.8	-35.9	174.2	-73.8	-48.8	0	0	0	112.7	E23 G24 K30 K31 K32 K35 A36 A39	E23-F27 HydrophobicContact CG-CD2 3.76Å; E23-F27 HydrophobicContact CG-CE2 3.33Å; E23-F27 HydrophobicContact CG-CZ 4.17Å; E23-F27 WeakPolarHBondContact O-CD2 3.49Å; E23-F27 WeakPolarHBondContact O-CG 3.35Å; E23-F27 PolarHBondContact O-N 3.07Å; E23-F27 WeakPolarHBondContact OE1-CE2 3.41Å; G24-F27 PolarHBondContact O-N 2.75Å; F27-K30 CarbonylContact O-C 3.17Å; F27-K30 PolarHBondContact O-N 3.19Å; F27-K31 PolarHBondContact O-N 3.25Å; F27-K32 HydrophobicContact CD1-CB 4.46Å; F27-K32 PolarHBondContact O-N 3.02Å; F27-K35 HydrophobicContact CB-CB 4.39Å; F27-K35 HydrophobicContact CD1-CB 4.03Å; F27-K35 HydrophobicContact CD1-CD 4.37Å; F27-K35 HydrophobicContact CD2-CB 3.95Å; F27-K35 HydrophobicContact CE1-CB 4.3Å; F27-K35 HydrophobicContact CE1-CD 4.06Å; F27-K35 HydrophobicContact CE2-CB 4.19Å; F27-K35 HydrophobicContact CG-CB 3.88Å; F27-K35 HydrophobicContact CZ-CB 4.38Å; F27-K35 HydrophobicContact CZ-CD 4.39Å; F27-A36 HydrophobicContact CB-CB 3.75Å; F27-A39 HydrophobicContact CD2-CB 4.31Å
28	L	90.4	Very high	89.3	Confident	25 Å²	25	67.8 Å²	67.8	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-42.7	174.6	-177.1	132.5	0	0	0	110.9	G24 D25 K30 K31 A36 Y40 R56	G24-L28 VanDerWaalsContact O-CB 3.31Å; G24-L28 WeakPolarHBondContact O-CB 3.04Å; G24-L28 PolarHBondContact O-N 3.3Å; D25-L28 PolarHBondContact O-N 3.33Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 3.5Å; L28-K31 WeakPolarHBondContact O-CA 3.41Å; L28-K31 PolarHBondContact O-N 3.38Å; L28-A36 HydrophobicContact CB-CB 4.32Å; L28-Y40 HydrophobicContact CD1-CE2 4.17Å; L28-R56 HydrophobicContact CD1-CB 4.33Å
29	M	87.8	Confident	89.8	Confident	152 Å²	152	62.8 Å²	62.8	75%	0.749	31%	0.312	S	S	*	.	H	α-helix	trans	-62.8	-32.5	172.9	-68.9	-62.7	-72.4	0	0	112.5	D25 K31	D25-M29 VanDerWaalsContact O-CG 3.23Å; D25-M29 WeakPolarHBondContact O-CG 3.49Å; D25-M29 PolarHBondContact O-N 3.05Å; M29-K31 VanDerWaalsContact C-N 3.27Å
30	K	89.3	Confident	90.4	Very high	141 Å²	141	59.8 Å²	59.8	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.4	172.8	-67.3	174.4	-176.6	176.5	0	113.5	A26 F27 L28 K32	A26-K30 WeakPolarHBondContact O-CG 3.36Å; A26-K30 PolarHBondContact O-N 3.43Å; A26-K30 VanDerWaalsContact O-N 3.14Å; F27-K30 CarbonylContact O-C 3.17Å; F27-K30 PolarHBondContact O-N 3.19Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 3.5Å; K30-K32 HydrophobicContact CB-CG 4.41Å; K30-K32 PolarHBondContact O-N 3.32Å; K30-K32 VanDerWaalsContact O-N 3.08Å
31	K	87.6	Confident	90.7	Very high	69 Å²	69	60.9 Å²	60.9	30%	0.3	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.8	-179.7	-60.5	177.6	-177.5	-179.8	0	115	F27 L28 M29 Y33 E404	F27-K31 PolarHBondContact O-N 3.25Å; L28-K31 WeakPolarHBondContact O-CA 3.41Å; L28-K31 PolarHBondContact O-N 3.38Å; M29-K31 VanDerWaalsContact C-N 3.27Å; K31-Y33 VanDerWaalsContact C-N 3.29Å; K31-Y33 HydrophobicContact CB-CE2 4.38Å; K31-Y33 WeakPolarHBondContact O-CD2 3.23Å; K31-Y33 PolarHBondContact O-N 2.71Å; K31-Y33 VanDerWaalsContact O-N 3.1Å; K31-E404 VanDerWaalsContact CD-CD 3.41Å; K31-E404 WeakPolarHBondContact CD-OE1 3.33Å; K31-E404 WeakPolarHBondContact CD-OE2 3.47Å; K31-E404 WeakPolarHBondContact CE-OE1 3.36Å; K31-E404 WeakPolarHBondContact CE-OE2 3.32Å; K31-E404 VanDerWaalsContact NZ-CB 3.31Å; K31-E404 IonicContact NZ-OE1 3.15Å; K31-E404 PolarHBondContact NZ-OE1 3.45Å; K31-E404 IonicContact NZ-OE2 3.7Å; K31-E404 PolarHBondContact NZ-OE2 2.9Å
32	K	90	Very high	90.7	Very high	110 Å²	110	60.5 Å²	60.5	48%	0.478	30%	0.303	S	S	.	.			trans	-87.5	70.6	173.7	-64.3	-173.7	-177.3	-177.6	0	109.2	F27 K30 L34 K35 A36	F27-K32 HydrophobicContact CD1-CB 4.46Å; F27-K32 PolarHBondContact O-N 3.02Å; K30-K32 HydrophobicContact CB-CG 4.41Å; K30-K32 PolarHBondContact O-N 3.32Å; K30-K32 VanDerWaalsContact O-N 3.08Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 3.48Å; K32-K35 HydrophobicContact CB-CB 4.23Å; K32-K35 HydrophobicContact CB-CG 4.47Å; K32-K35 HydrophobicContact CD-CD 4.28Å; K32-K35 PolarHBondContact O-N 2.92Å; K32-A36 PolarHBondContact O-N 3.5Å
33	Y	92.2	Very high	90.9	Very high	41 Å²	41	57.2 Å²	57.2	16%	0.161	28%	0.281	C	S	.	.	H	α-helix	trans	-55.4	-42.7	-171	-55.4	-63.3	0	0	0	113.8	K31 K35 A36 I37 C60 A63 L64	K31-Y33 VanDerWaalsContact C-N 3.29Å; K31-Y33 HydrophobicContact CB-CE2 4.38Å; K31-Y33 WeakPolarHBondContact O-CD2 3.23Å; K31-Y33 PolarHBondContact O-N 2.71Å; K31-Y33 VanDerWaalsContact O-N 3.1Å; Y33-K35 VanDerWaalsContact C-N 3.35Å; Y33-K35 PolarHBondContact O-N 3.39Å; Y33-A36 PolarHBondContact O-N 3.22Å; Y33-I37 WeakPolarHBondContact O-CD1 3.48Å; Y33-I37 VanDerWaalsContact O-CG1 3.25Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 3.47Å; Y33-C60 HydrophobicContact CD1-CB 4.36Å; Y33-A63 HydrophobicContact CD1-CB 3.9Å; Y33-A63 HydrophobicContact CD2-CB 4.13Å; Y33-A63 HydrophobicContact CE1-CB 3.59Å; Y33-A63 HydrophobicContact CE2-CB 3.84Å; Y33-A63 HydrophobicContact CG-CB 4.16Å; Y33-L64 HydrophobicContact CD2-CD2 4.3Å; Y33-L64 HydrophobicContact CG-CG 4.49Å
34	L	93	Very high	91	Very high	125 Å²	125	54.2 Å²	54.2	65%	0.654	27%	0.267	S	S	*	.	H	α-helix	trans	-61.6	-41.6	178.3	-66.6	174.2	0	0	0	112.2	K32 V38 L64	K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 3.48Å; L34-V38 WeakPolarHBondContact O-CG2 3.15Å; L34-V38 PolarHBondContact O-N 3.26Å; L34-L64 HydrophobicContact CD2-CD1 3.75Å; L34-L64 HydrophobicContact CD2-CD2 4.48Å; L34-L64 HydrophobicContact CG-CD1 4.42Å
35	K	91.1	Very high	90.9	Very high	118 Å²	118	60.6 Å²	60.6	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-71.4	-38.2	176.9	-64	-169.4	179	-168.3	0	111.5	F27 K32 Y33 V38 A39	F27-K35 HydrophobicContact CB-CB 4.39Å; F27-K35 HydrophobicContact CD1-CB 4.03Å; F27-K35 HydrophobicContact CD1-CD 4.37Å; F27-K35 HydrophobicContact CD2-CB 3.95Å; F27-K35 HydrophobicContact CE1-CB 4.3Å; F27-K35 HydrophobicContact CE1-CD 4.06Å; F27-K35 HydrophobicContact CE2-CB 4.19Å; F27-K35 HydrophobicContact CG-CB 3.88Å; F27-K35 HydrophobicContact CZ-CB 4.38Å; F27-K35 HydrophobicContact CZ-CD 4.39Å; K32-K35 HydrophobicContact CB-CB 4.23Å; K32-K35 HydrophobicContact CB-CG 4.47Å; K32-K35 HydrophobicContact CD-CD 4.28Å; K32-K35 PolarHBondContact O-N 2.92Å; Y33-K35 VanDerWaalsContact C-N 3.35Å; Y33-K35 PolarHBondContact O-N 3.39Å; K35-V38 PolarHBondContact O-N 3.05Å; K35-A39 PolarHBondContact O-N 3.48Å; K35-A39 VanDerWaalsContact O-N 3.09Å
36	A	93.2	Very high	90.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-43.9	175.3	0	0	0	0	0	111.5	F27 L28 K32 Y33 V38 A39 Y40	F27-A36 HydrophobicContact CB-CB 3.75Å; L28-A36 HydrophobicContact CB-CB 4.32Å; K32-A36 PolarHBondContact O-N 3.5Å; Y33-A36 PolarHBondContact O-N 3.22Å; A36-V38 PolarHBondContact O-N 3.22Å; A36-A39 PolarHBondContact O-N 2.74Å; A36-Y40 HydrophobicContact CB-CD2 4.35Å; A36-Y40 HydrophobicContact CB-CE2 4.04Å; A36-Y40 WeakPolarHBondContact O-CD2 2.98Å; A36-Y40 PolarHBondContact O-N 3.36Å
37	I	94.4	Very high	90.4	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-47.1	176.5	-70.7	160.6	0	0	0	110.9	Y33 A39 Y40 D41 R57 C60 Y61 L64	Y33-I37 WeakPolarHBondContact O-CD1 3.48Å; Y33-I37 VanDerWaalsContact O-CG1 3.25Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 3.47Å; I37-A39 VanDerWaalsContact C-N 3.31Å; I37-A39 PolarHBondContact O-N 3.27Å; I37-Y40 PolarHBondContact O-N 3.17Å; I37-Y40 VanDerWaalsContact O-N 3.17Å; I37-D41 WeakPolarHBondContact O-CB 3.01Å; I37-D41 VanDerWaalsContact O-CG 3.28Å; I37-D41 PolarHBondContact O-N 3.48Å; I37-R57 HydrophobicContact CG1-CG 4.43Å; I37-R57 HydrophobicContact CG2-CG 4.48Å; I37-C60 HydrophobicContact CD1-CB 3.82Å; I37-C60 HydrophobicContact CG1-CB 3.53Å; I37-Y61 HydrophobicContact CD1-CD1 3.76Å; I37-Y61 HydrophobicContact CD1-CE1 3.64Å; I37-Y61 HydrophobicContact CG1-CE1 4.21Å; I37-Y61 HydrophobicContact CG2-CE1 4.08Å; I37-L64 HydrophobicContact CD1-CD1 3.38Å
38	V	93.4	Very high	89.8	Confident	79 Å²	79	72 Å²	72	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-41.7	178	174.1	0	0	0	0	111.6	L34 K35 A36 D41 Q42	L34-V38 WeakPolarHBondContact O-CG2 3.15Å; L34-V38 PolarHBondContact O-N 3.26Å; K35-V38 PolarHBondContact O-N 3.05Å; A36-V38 PolarHBondContact O-N 3.22Å; V38-D41 PolarHBondContact O-N 3.4Å; V38-Q42 VanDerWaalsContact O-CG 3.29Å; V38-Q42 WeakPolarHBondContact O-CG 3.49Å; V38-Q42 PolarHBondContact O-N 3.05Å
39	A	91.2	Very high	89.3	Confident	2 Å²	2	74.7 Å²	74.7	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-40.4	176.3	0	0	0	0	0	112.2	E23 F27 K35 A36 I37 Q42 A43	E23-A39 HydrophobicContact CB-CB 4.44Å; E23-A39 HydrophobicContact CG-CB 4.19Å; F27-A39 HydrophobicContact CD2-CB 4.31Å; K35-A39 PolarHBondContact O-N 3.48Å; K35-A39 VanDerWaalsContact O-N 3.09Å; A36-A39 PolarHBondContact O-N 2.74Å; I37-A39 VanDerWaalsContact C-N 3.31Å; I37-A39 PolarHBondContact O-N 3.27Å; A39-Q42 PolarHBondContact O-N 3.12Å; A39-A43 PolarHBondContact O-N 3.23Å
40	Y	93.6	Very high	89.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.5	-35.8	175.3	-68.2	-51.4	0	0	0	112.8	G24 D25 L28 A36 I37 A43 L44 C53 R56 R57	G24-Y40 VanDerWaalsContact C-CZ 3.44Å; G24-Y40 VanDerWaalsContact C-OH 3.26Å; G24-Y40 PolarHBondContact O-OH 3.07Å; D25-Y40 WeakPolarHBondContact CA-OH 3.39Å; D25-Y40 PolarHBondContact N-OH 3.34Å; D25-Y40 PolarHBondContact OD1-OH 2.89Å; L28-Y40 HydrophobicContact CD1-CE2 4.17Å; A36-Y40 HydrophobicContact CB-CD2 4.35Å; A36-Y40 HydrophobicContact CB-CE2 4.04Å; A36-Y40 WeakPolarHBondContact O-CD2 2.98Å; A36-Y40 PolarHBondContact O-N 3.36Å; I37-Y40 PolarHBondContact O-N 3.17Å; I37-Y40 VanDerWaalsContact O-N 3.17Å; Y40-A43 WeakPolarHBondContact O-CB 3.15Å; Y40-A43 PolarHBondContact O-N 3.33Å; Y40-L44 WeakPolarHBondContact O-CB 3.29Å; Y40-L44 VanDerWaalsContact O-CG 3.31Å; Y40-L44 WeakPolarHBondContact O-CG 3.29Å; Y40-L44 PolarHBondContact O-N 3.27Å; Y40-C53 HydrophobicContact CD1-CB 4.28Å; Y40-R56 HydrophobicContact CD1-CB 4.43Å; Y40-R56 HydrophobicContact CD2-CB 4.26Å; Y40-R56 HydrophobicContact CE1-CB 3.78Å; Y40-R56 HydrophobicContact CE1-CG 4.28Å; Y40-R56 HydrophobicContact CE2-CB 3.58Å; Y40-R56 WeakPolarHBondContact OH-CB 2.97Å; Y40-R57 HydrophobicContact CD2-CB 4.34Å; Y40-R57 HydrophobicContact CG-CB 4.46Å
41	D	93.2	Very high	89.2	Confident	52 Å²	52	67.6 Å²	67.6	28%	0.278	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-45.5	172.9	-72.3	-21.3	0	0	0	110.2	I37 V38 A43 L44 D45 R57	I37-D41 WeakPolarHBondContact O-CB 3.01Å; I37-D41 VanDerWaalsContact O-CG 3.28Å; I37-D41 PolarHBondContact O-N 3.48Å; V38-D41 PolarHBondContact O-N 3.4Å; D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.24Å; D41-L44 PolarHBondContact O-N 3.42Å; D41-D45 VanDerWaalsContact O-CG 3.31Å; D41-D45 PolarHBondContact O-N 3.41Å; D41-R57 WeakPolarHBondContact OD1-CD 3.38Å; D41-R57 IonicContact OD1-CZ 2.64Å; D41-R57 IonicContact OD1-NE 3.56Å; D41-R57 IonicContact OD1-NH1 3.76Å; D41-R57 PolarHBondContact OD1-NH1 3.36Å
42	Q	89.8	Confident	89.3	Confident	71 Å²	71	65.7 Å²	65.7	33%	0.332	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-30.4	174.4	-70.4	173	2.8	0	0	113.2	Y20 V38 A39	Y20-Q42 HydrophobicContact CD1-CB 3.8Å; Y20-Q42 HydrophobicContact CD2-CB 4.21Å; Y20-Q42 HydrophobicContact CE1-CB 4.03Å; Y20-Q42 HydrophobicContact CE1-CG 4.49Å; Y20-Q42 HydrophobicContact CE2-CB 4.4Å; Y20-Q42 HydrophobicContact CG-CB 3.9Å; V38-Q42 VanDerWaalsContact O-CG 3.29Å; V38-Q42 WeakPolarHBondContact O-CG 3.49Å; V38-Q42 PolarHBondContact O-N 3.05Å; A39-Q42 PolarHBondContact O-N 3.12Å
43	A	89.8	Confident	89.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-73.1	-44.1	173.2	0	0	0	0	0	111.6	F17 A39 Y40 D41 D45 R46 K47	F17-A43 HydrophobicContact CD2-CB 4.06Å; F17-A43 VanDerWaalsContact CD2-O 3.28Å; F17-A43 WeakPolarHBondContact CD2-O 3.22Å; F17-A43 HydrophobicContact CE2-CB 3.98Å; A39-A43 PolarHBondContact O-N 3.23Å; Y40-A43 WeakPolarHBondContact O-CB 3.15Å; Y40-A43 PolarHBondContact O-N 3.33Å; D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.24Å; A43-D45 VanDerWaalsContact C-N 3.33Å; A43-D45 PolarHBondContact O-N 2.78Å; A43-R46 WeakPolarHBondContact O-CB 3.38Å; A43-R46 PolarHBondContact O-N 2.58Å; A43-K47 PolarHBondContact O-N 2.69Å; A43-K47 VanDerWaalsContact O-N 3.15Å
44	L	90.9	Very high	89.4	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-30.6	-179.8	-70.7	167	0	0	0	112.1	Y40 D41 R46 K47 E48 C53 L54 R57	Y40-L44 WeakPolarHBondContact O-CB 3.29Å; Y40-L44 VanDerWaalsContact O-CG 3.31Å; Y40-L44 WeakPolarHBondContact O-CG 3.29Å; Y40-L44 PolarHBondContact O-N 3.27Å; D41-L44 PolarHBondContact O-N 3.42Å; L44-R46 PolarHBondContact O-N 2.65Å; L44-R46 VanDerWaalsContact O-N 3.1Å; L44-K47 CarbonylContact O-C 3.59Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-E48 WeakPolarHBondContact O-CA 3.46Å; L44-E48 PolarHBondContact O-N 3.21Å; L44-C53 HydrophobicContact CD1-CB 4.45Å; L44-C53 HydrophobicContact CD2-CB 3.77Å; L44-C53 HydrophobicContact CG-CB 3.95Å; L44-L54 HydrophobicContact CD1-CD2 3.94Å; L44-L54 HydrophobicContact CD2-CD2 4Å; L44-L54 HydrophobicContact CD2-CG 3.91Å; L44-R57 VanDerWaalsContact CD1-NH1 3.28Å
45	D	89.4	Confident	89.4	Confident	134 Å²	134	53.7 Å²	53.7	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.5	168.9	-77.4	-12	0	0	0	113.1	D41 A43	D41-D45 VanDerWaalsContact O-CG 3.31Å; D41-D45 PolarHBondContact O-N 3.41Å; A43-D45 VanDerWaalsContact C-N 3.33Å; A43-D45 PolarHBondContact O-N 2.78Å
46	R	84.4	Confident	89.5	Confident	108 Å²	108	52 Å²	52	41%	0.408	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-40.6	176.5	-58.2	-69.1	174.6	-148.7	-26.6	112.8	F17 A43 L44	F17-R46 HydrophobicContact CB-CB 4.15Å; F17-R46 HydrophobicContact CD2-CB 4.28Å; A43-R46 WeakPolarHBondContact O-CB 3.38Å; A43-R46 PolarHBondContact O-N 2.58Å; L44-R46 PolarHBondContact O-N 2.65Å; L44-R46 VanDerWaalsContact O-N 3.1Å
47	K	83.6	Confident	89.6	Confident	97 Å²	97	54 Å²	54	42%	0.422	25%	0.253	S	S	.	.			trans	-136.5	96.2	-179	-71.1	-177.3	-176.8	162.7	0	108.4	F17 E18 A43 L44 N49 D50	F17-K47 HydrophobicContact CB-CD 4.42Å; F17-K47 HydrophobicContact CD1-CD 3.84Å; F17-K47 HydrophobicContact CD2-CB 3.89Å; F17-K47 HydrophobicContact CD2-CD 3.86Å; F17-K47 HydrophobicContact CD2-CG 3.96Å; F17-K47 HydrophobicContact CE1-CD 4.01Å; F17-K47 HydrophobicContact CE2-CB 3.85Å; F17-K47 HydrophobicContact CE2-CD 4.04Å; F17-K47 HydrophobicContact CE2-CG 4.3Å; F17-K47 HydrophobicContact CG-CD 3.75Å; F17-K47 HydrophobicContact CG-CG 4.2Å; F17-K47 HydrophobicContact CZ-CD 4.12Å; E18-K47 IonicContact OE1-NZ 3.17Å; E18-K47 PolarHBondContact OE1-NZ 3.14Å; E18-K47 VanDerWaalsContact OE1-NZ 3.17Å; A43-K47 PolarHBondContact O-N 2.69Å; A43-K47 VanDerWaalsContact O-N 3.15Å; L44-K47 CarbonylContact O-C 3.59Å; L44-K47 PolarHBondContact O-N 3.39Å; K47-N49 VanDerWaalsContact C-N 3.28Å; K47-N49 PolarHBondContact O-N 3.16Å; K47-D50 PolarHBondContact O-N 3.4Å
48	E	77.6	Confident	89.6	Confident	163 Å²	163	53.3 Å²	53.3	76%	0.762	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.5	-169	-164.5	171.6	178	0	0	113.6	L44	L44-E48 WeakPolarHBondContact O-CA 3.46Å; L44-E48 PolarHBondContact O-N 3.21Å
49	N	79.2	Confident	89.6	Confident	81 Å²	81	51.5 Å²	51.5	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	30.9	-173.5	-65.3	1.2	0	0	0	113.9	K47 R51 E80	K47-N49 VanDerWaalsContact C-N 3.28Å; K47-N49 PolarHBondContact O-N 3.16Å; N49-R51 PolarHBondContact O-N 3.05Å; N49-R51 VanDerWaalsContact O-N 3.13Å; N49-E80 HydrophobicContact CB-CG 4.46Å; N49-E80 PolarHBondContact ND2-OE1 3.43Å
50	D	88.2	Confident	89.8	Confident	37 Å²	37	51.4 Å²	51.4	20%	0.198	24%	0.24	C	C	.	.			trans	-72.3	109.7	174.1	-174.4	61.7	0	0	0	111.8	F17 K47 H52 C53 L54	F17-D50 HydrophobicContact CE2-CB 4.08Å; F17-D50 HydrophobicContact CZ-CB 3.81Å; K47-D50 PolarHBondContact O-N 3.4Å; D50-H52 PolarHBondContact O-N 3.43Å; D50-H52 VanDerWaalsContact O-N 3.13Å; D50-H52 WeakPolarHBondContact OD2-CB 3.35Å; D50-H52 PolarHBondContact OD2-N 3.34Å; D50-C53 HydrophobicContact CB-CB 4.3Å; D50-C53 PolarHBondContact O-N 3.45Å; D50-C53 PolarHBondContact OD2-N 3.24Å; D50-C53 PolarHBondContact OD2-SG 2.96Å; D50-C53 VanDerWaalsContact OD2-SG 3.36Å; D50-L54 WeakPolarHBondContact O-CG 3.43Å; D50-L54 PolarHBondContact O-N 2.93Å
51	R	88.2	Confident	89.9	Confident	106 Å²	106	52.7 Å²	52.7	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-53.2	-35.2	-179.5	-63.8	179.1	-70.3	177.1	-4.4	113.2	N49 L55 E80 D81 Y84	N49-R51 PolarHBondContact O-N 3.05Å; N49-R51 VanDerWaalsContact O-N 3.13Å; R51-L55 VanDerWaalsContact O-CB 3.27Å; R51-L55 WeakPolarHBondContact O-CB 3.13Å; R51-L55 PolarHBondContact O-N 2.64Å; R51-L55 VanDerWaalsContact O-N 3.12Å; R51-E80 HydrophobicContact CG-CB 4.3Å; R51-D81 IonicContact NH1-OD2 2.71Å; R51-D81 PolarHBondContact NH1-OD2 3.46Å; R51-Y84 HydrophobicContact CB-CE1 4.4Å
52	H	88.7	Confident	89.9	Confident	30 Å²	30	51.1 Å²	51.1	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-73.8	-50.8	-177.3	-175.4	81.4	0	0	0	111.5	R21 D25 D50 L54 L55 R56	R21-H52 PolarHBondContact NE-CD2 3.48Å; R21-H52 PolarHBondContact NH2-CD2 3.27Å; R21-H52 PolarHBondContact NH2-NE2 3.37Å; D25-H52 IonicContact OD1-NE2 3.86Å; D25-H52 IonicContact OD2-NE2 3.21Å; D25-H52 PolarHBondContact OD2-NE2 2.9Å; D50-H52 PolarHBondContact O-N 3.43Å; D50-H52 VanDerWaalsContact O-N 3.13Å; D50-H52 WeakPolarHBondContact OD2-CB 3.35Å; D50-H52 PolarHBondContact OD2-N 3.34Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.88Å; H52-L55 PolarHBondContact O-N 3.07Å; H52-R56 PolarHBondContact CE1-NE 3.23Å; H52-R56 VanDerWaalsContact O-CG 3.31Å; H52-R56 WeakPolarHBondContact O-CG 3.43Å; H52-R56 PolarHBondContact O-N 2.91Å
53	C	91.4	Very high	90	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-43	176.6	-69.7	0	0	0	0	111.8	Y40 L44 D50 L55 R56 R57	Y40-C53 HydrophobicContact CD1-CB 4.28Å; L44-C53 HydrophobicContact CD1-CB 4.45Å; L44-C53 HydrophobicContact CD2-CB 3.77Å; L44-C53 HydrophobicContact CG-CB 3.95Å; D50-C53 HydrophobicContact CB-CB 4.3Å; D50-C53 PolarHBondContact O-N 3.45Å; D50-C53 PolarHBondContact OD2-N 3.24Å; D50-C53 PolarHBondContact OD2-SG 2.96Å; D50-C53 VanDerWaalsContact OD2-SG 3.36Å; C53-L55 PolarHBondContact O-N 3.42Å; C53-R56 PolarHBondContact O-N 3.39Å; C53-R57 VanDerWaalsContact O-CB 3.31Å; C53-R57 WeakPolarHBondContact O-CB 3.35Å; C53-R57 PolarHBondContact O-N 3.29Å
54	L	93.7	Very high	90.1	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-47.1	175.4	-72	170.5	0	0	0	112.1	L44 D50 H52 R56 R57 S58 V76 A77	L44-L54 HydrophobicContact CD1-CD2 3.94Å; L44-L54 HydrophobicContact CD2-CD2 4Å; L44-L54 HydrophobicContact CD2-CG 3.91Å; D50-L54 WeakPolarHBondContact O-CG 3.43Å; D50-L54 PolarHBondContact O-N 2.93Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.88Å; L54-R56 PolarHBondContact O-N 3.04Å; L54-R57 PolarHBondContact O-N 2.96Å; L54-S58 VanDerWaalsContact O-CB 3.26Å; L54-S58 WeakPolarHBondContact O-CB 3.33Å; L54-S58 PolarHBondContact O-N 2.77Å; L54-V76 HydrophobicContact CD1-CB 4.24Å; L54-V76 HydrophobicContact CD1-CG1 3.64Å; L54-A77 HydrophobicContact CB-CB 4.33Å
55	L	93.2	Very high	90.1	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-41.6	179.6	-172.6	147.1	0	0	0	112	R51 H52 C53 S58 S59 Y84 K86 A87 L90	R51-L55 VanDerWaalsContact O-CB 3.27Å; R51-L55 WeakPolarHBondContact O-CB 3.13Å; R51-L55 PolarHBondContact O-N 2.64Å; R51-L55 VanDerWaalsContact O-N 3.12Å; H52-L55 PolarHBondContact O-N 3.07Å; C53-L55 PolarHBondContact O-N 3.42Å; L55-S58 PolarHBondContact O-N 3.21Å; L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 2.93Å; L55-Y84 HydrophobicContact CD1-CD1 4.26Å; L55-Y84 HydrophobicContact CD1-CE1 3.46Å; L55-Y84 VanDerWaalsContact CD1-CE1 3.46Å; L55-K86 VanDerWaalsContact CD1-C 3.48Å; L55-K86 HydrophobicContact CD1-CB 3.5Å; L55-A87 HydrophobicContact CD1-CB 4.07Å; L55-L90 HydrophobicContact CD2-CD2 4.24Å; L55-L90 HydrophobicContact CG-CD2 3.78Å; L55-L90 VanDerWaalsContact O-CD2 3.23Å; L55-L90 WeakPolarHBondContact O-CD2 3.41Å
56	R	93.2	Very high	90.2	Very high	83 Å²	83	49.7 Å²	49.7	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-68.3	-40.9	177.9	-67.9	-62.9	-166.4	-172.8	4.4	112.2	D25 L28 Y40 H52 C53 L54 S59 C60	D25-R56 IonicContact OD1-NE 3.49Å; L28-R56 HydrophobicContact CD1-CB 4.33Å; Y40-R56 HydrophobicContact CD1-CB 4.43Å; Y40-R56 HydrophobicContact CD2-CB 4.26Å; Y40-R56 HydrophobicContact CE1-CB 3.78Å; Y40-R56 HydrophobicContact CE1-CG 4.28Å; Y40-R56 HydrophobicContact CE2-CB 3.58Å; Y40-R56 WeakPolarHBondContact OH-CB 2.97Å; H52-R56 PolarHBondContact CE1-NE 3.23Å; H52-R56 VanDerWaalsContact O-CG 3.31Å; H52-R56 WeakPolarHBondContact O-CG 3.43Å; H52-R56 PolarHBondContact O-N 2.91Å; C53-R56 PolarHBondContact O-N 3.39Å; L54-R56 PolarHBondContact O-N 3.04Å; R56-S59 WeakPolarHBondContact O-CB 3.42Å; R56-S59 PolarHBondContact O-N 2.6Å; R56-C60 PolarHBondContact O-N 2.89Å; R56-C60 PolarHBondContact O-SG 3.5Å
57	R	94.5	Very high	90.6	Very high	41 Å²	41	46.4 Å²	46.4	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-43.8	174.5	-167.8	176.9	67.7	-177.6	-2.5	111.3	I37 Y40 D41 L44 C53 L54 S59 C60 Y61 D73	I37-R57 HydrophobicContact CG1-CG 4.43Å; I37-R57 HydrophobicContact CG2-CG 4.48Å; Y40-R57 HydrophobicContact CD2-CB 4.34Å; Y40-R57 HydrophobicContact CG-CB 4.46Å; D41-R57 WeakPolarHBondContact OD1-CD 3.38Å; D41-R57 IonicContact OD1-CZ 2.64Å; D41-R57 IonicContact OD1-NE 3.56Å; D41-R57 IonicContact OD1-NH1 3.76Å; D41-R57 PolarHBondContact OD1-NH1 3.36Å; L44-R57 VanDerWaalsContact CD1-NH1 3.28Å; C53-R57 VanDerWaalsContact O-CB 3.31Å; C53-R57 WeakPolarHBondContact O-CB 3.35Å; C53-R57 PolarHBondContact O-N 3.29Å; L54-R57 PolarHBondContact O-N 2.96Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.5Å; R57-C60 WeakPolarHBondContact O-CB 3.46Å; R57-C60 PolarHBondContact O-N 3.27Å; R57-C60 VanDerWaalsContact O-N 3.14Å; R57-Y61 HydrophobicContact CG-CD2 4.08Å; R57-Y61 HydrophobicContact CG-CE2 3.58Å; R57-Y61 WeakPolarHBondContact O-CD2 3.36Å; R57-Y61 PolarHBondContact O-N 2.88Å; R57-D73 IonicContact CZ-OD1 3.63Å; R57-D73 IonicContact CZ-OD2 3.49Å; R57-D73 IonicContact NE-OD1 3.9Å; R57-D73 IonicContact NE-OD2 2.92Å; R57-D73 PolarHBondContact NE-OD2 2.67Å; R57-D73 IonicContact NH2-OD1 3.77Å; R57-D73 PolarHBondContact NH2-OD1 3.4Å; R57-D73 IonicContact NH2-OD2 3.55Å; R57-D73 PolarHBondContact NH2-OD2 2.6Å
58	S	94.9	Very high	91.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-43.1	172	-179.6	0	0	0	0	112.1	L54 L55 C60 Y61 L62 A70 L90 I94	L54-S58 VanDerWaalsContact O-CB 3.26Å; L54-S58 WeakPolarHBondContact O-CB 3.33Å; L54-S58 PolarHBondContact O-N 2.77Å; L55-S58 PolarHBondContact O-N 3.21Å; S58-C60 PolarHBondContact O-N 3.19Å; S58-Y61 PolarHBondContact O-N 2.73Å; S58-L62 PolarHBondContact O-N 2.74Å; S58-A70 PolarHBondContact OG-O 3.31Å; S58-L90 WeakPolarHBondContact OG-CD2 3.36Å; S58-I94 WeakPolarHBondContact OG-CD1 3.43Å
59	S	93.8	Very high	91.9	Very high	41 Å²	41	43.8 Å²	43.8	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-38.3	174.8	-173.5	0	0	0	0	112.7	L55 R56 R57 L62 A63	L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 2.93Å; R56-S59 WeakPolarHBondContact O-CB 3.42Å; R56-S59 PolarHBondContact O-N 2.6Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.5Å; S59-L62 PolarHBondContact O-N 3.22Å; S59-A63 PolarHBondContact O-N 3.35Å
60	C	94.1	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-43.5	171.9	-69	0	0	0	0	111.7	Y33 I37 R56 R57 S58 L62 A63 L64	Y33-C60 HydrophobicContact CD1-CB 4.36Å; I37-C60 HydrophobicContact CD1-CB 3.82Å; I37-C60 HydrophobicContact CG1-CB 3.53Å; R56-C60 PolarHBondContact O-N 2.89Å; R56-C60 PolarHBondContact O-SG 3.5Å; R57-C60 WeakPolarHBondContact O-CB 3.46Å; R57-C60 PolarHBondContact O-N 3.27Å; R57-C60 VanDerWaalsContact O-N 3.14Å; S58-C60 PolarHBondContact O-N 3.19Å; C60-L62 VanDerWaalsContact C-N 3.32Å; C60-L62 PolarHBondContact O-N 3.36Å; C60-A63 PolarHBondContact O-N 2.99Å; C60-L64 WeakPolarHBondContact O-CG 3.41Å; C60-L64 PolarHBondContact O-N 3.49Å
61	Y	96.2	Very high	92.9	Very high	26 Å²	26	39.1 Å²	39.1	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.7	-73.2	-45.8	0	0	0	112.1	I37 R57 S58 L64 G65 N66 K69 D73	I37-Y61 HydrophobicContact CD1-CD1 3.76Å; I37-Y61 HydrophobicContact CD1-CE1 3.64Å; I37-Y61 HydrophobicContact CG1-CE1 4.21Å; I37-Y61 HydrophobicContact CG2-CE1 4.08Å; R57-Y61 HydrophobicContact CG-CD2 4.08Å; R57-Y61 HydrophobicContact CG-CE2 3.58Å; R57-Y61 WeakPolarHBondContact O-CD2 3.36Å; R57-Y61 PolarHBondContact O-N 2.88Å; S58-Y61 PolarHBondContact O-N 2.73Å; Y61-L64 CarbonylContact O-C 3.34Å; Y61-L64 PolarHBondContact O-N 3.01Å; Y61-G65 PolarHBondContact O-N 3.38Å; Y61-G65 VanDerWaalsContact O-N 3.13Å; Y61-N66 HydrophobicContact CD1-CB 4.37Å; Y61-N66 PolarHBondContact O-N 3.48Å; Y61-K69 HydrophobicContact CD1-CB 4.31Å; Y61-K69 HydrophobicContact CD1-CD 4.41Å; Y61-K69 HydrophobicContact CD2-CB 3.74Å; Y61-K69 HydrophobicContact CE1-CD 3.98Å; Y61-K69 HydrophobicContact CE2-CB 3.92Å; Y61-K69 HydrophobicContact CE2-CD 4.34Å; Y61-K69 HydrophobicContact CG-CB 3.96Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.31Å
62	L	93.9	Very high	93.2	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-46.4	172.9	-178.8	61.7	0	0	0	111.2	S58 S59 C60 L64 G65 L67 A70 L90 Q93 I94 N97	S58-L62 PolarHBondContact O-N 2.74Å; S59-L62 PolarHBondContact O-N 3.22Å; C60-L62 VanDerWaalsContact C-N 3.32Å; C60-L62 PolarHBondContact O-N 3.36Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 3.48Å; L62-G65 PolarHBondContact O-N 2.85Å; L62-L67 HydrophobicContact CD1-CD2 3.73Å; L62-A70 HydrophobicContact CB-CB 4.41Å; L62-L90 HydrophobicContact CD2-CD1 3.81Å; L62-Q93 HydrophobicContact CD2-CB 3.96Å; L62-I94 HydrophobicContact CB-CG1 4.37Å; L62-I94 HydrophobicContact CD1-CB 4.32Å; L62-I94 HydrophobicContact CD1-CG1 3.91Å; L62-I94 HydrophobicContact CD1-CG2 4.48Å; L62-I94 HydrophobicContact CD2-CG1 4.08Å; L62-I94 HydrophobicContact CG-CG1 4.35Å; L62-N97 HydrophobicContact CD1-CB 4.04Å; L62-N97 WeakPolarHBondContact CD1-ND2 3.49Å
63	A	91.5	Very high	93.4	Very high	27 Å²	27	36 Å²	36	22%	0.223	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-32.4	176.8	0	0	0	0	0	113	Y33 S59 C60 G65	Y33-A63 HydrophobicContact CD1-CB 3.9Å; Y33-A63 HydrophobicContact CD2-CB 4.13Å; Y33-A63 HydrophobicContact CE1-CB 3.59Å; Y33-A63 HydrophobicContact CE2-CB 3.84Å; Y33-A63 HydrophobicContact CG-CB 4.16Å; S59-A63 PolarHBondContact O-N 3.35Å; C60-A63 PolarHBondContact O-N 2.99Å; A63-G65 VanDerWaalsContact C-N 3.27Å; A63-G65 PolarHBondContact O-N 3.24Å
64	L	92.5	Very high	93.5	Very high	66 Å²	66	36 Å²	36	35%	0.346	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.2	173.1	-68.3	175.1	0	0	0	113.8	Y33 L34 I37 C60 Y61 L62 N66	Y33-L64 HydrophobicContact CD2-CD2 4.3Å; Y33-L64 HydrophobicContact CG-CG 4.49Å; L34-L64 HydrophobicContact CD2-CD1 3.75Å; L34-L64 HydrophobicContact CD2-CD2 4.48Å; L34-L64 HydrophobicContact CG-CD1 4.42Å; I37-L64 HydrophobicContact CD1-CD1 3.38Å; C60-L64 WeakPolarHBondContact O-CG 3.41Å; C60-L64 PolarHBondContact O-N 3.49Å; Y61-L64 CarbonylContact O-C 3.34Å; Y61-L64 PolarHBondContact O-N 3.01Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.28Å; L64-N66 PolarHBondContact O-N 2.94Å
65	G	89.1	Confident	93.4	Very high	40 Å²	40	38.7 Å²	38.7	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	8.3	-177	0	0	0	0	0	115.2	Y61 L62 A63 L67	Y61-G65 PolarHBondContact O-N 3.38Å; Y61-G65 VanDerWaalsContact O-N 3.13Å; L62-G65 PolarHBondContact O-N 2.85Å; A63-G65 VanDerWaalsContact C-N 3.27Å; A63-G65 PolarHBondContact O-N 3.24Å; G65-L67 PolarHBondContact O-N 2.95Å
66	N	92.4	Very high	93.3	Very high	55 Å²	55	40.4 Å²	40.4	29%	0.294	23%	0.226	S	C	.	.			trans	-85.2	76.7	177.6	-164.9	-27.3	0	0	0	111.3	Y61 L64 T68 K69 A70	Y61-N66 HydrophobicContact CD1-CB 4.37Å; Y61-N66 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.28Å; L64-N66 PolarHBondContact O-N 2.94Å; N66-T68 VanDerWaalsContact C-N 3.33Å; N66-T68 PolarHBondContact O-N 2.94Å; N66-T68 PolarHBondContact OD1-OG1 3.43Å; N66-K69 PolarHBondContact OD1-N 2.99Å; N66-A70 WeakPolarHBondContact O-CB 3.27Å; N66-A70 PolarHBondContact O-N 2.77Å; N66-A70 VanDerWaalsContact O-N 3.1Å
67	L	93.1	Very high	93.2	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-32.4	-172.4	-55.1	178.8	0	0	0	113.5	L62 G65 A70 L71 I94 N97 K98	L62-L67 HydrophobicContact CD1-CD2 3.73Å; G65-L67 PolarHBondContact O-N 2.95Å; L67-A70 PolarHBondContact O-N 3.46Å; L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-I94 HydrophobicContact CB-CG2 4.29Å; L67-I94 HydrophobicContact CD2-CG2 4.23Å; L67-N97 WeakPolarHBondContact CD1-O 3.43Å; L67-N97 HydrophobicContact CD2-CB 3.79Å; L67-K98 HydrophobicContact CD1-CB 3.98Å; L67-K98 HydrophobicContact CD1-CG 4.4Å
68	T	94.1	Very high	93	Very high	105 Å²	105	35.5 Å²	35.5	64%	0.644	21%	0.209	S	C	*	.	H	α-helix	trans	-68.4	-46.2	-177.3	53.8	0	0	0	0	111.8	N66 L71 S72	N66-T68 VanDerWaalsContact C-N 3.33Å; N66-T68 PolarHBondContact O-N 2.94Å; N66-T68 PolarHBondContact OD1-OG1 3.43Å; T68-L71 PolarHBondContact O-N 3Å; T68-S72 PolarHBondContact O-N 3.33Å
69	K	93.5	Very high	92.7	Very high	100 Å²	100	42.6 Å²	42.6	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-69.3	-36.4	174.7	-66.8	-171	-179.4	-176.3	0	112.3	Y61 N66 S72 D73	Y61-K69 HydrophobicContact CD1-CB 4.31Å; Y61-K69 HydrophobicContact CD1-CD 4.41Å; Y61-K69 HydrophobicContact CD2-CB 3.74Å; Y61-K69 HydrophobicContact CE1-CD 3.98Å; Y61-K69 HydrophobicContact CE2-CB 3.92Å; Y61-K69 HydrophobicContact CE2-CD 4.34Å; Y61-K69 HydrophobicContact CG-CB 3.96Å; N66-K69 PolarHBondContact OD1-N 2.99Å; K69-S72 WeakPolarHBondContact CA-OG 3.37Å; K69-S72 PolarHBondContact O-N 3.46Å; K69-S72 PolarHBondContact O-OG 3.31Å; K69-D73 PolarHBondContact O-N 2.97Å
70	A	94.7	Very high	92.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-45.7	175.2	0	0	0	0	0	111.2	S58 L62 N66 L67 A74 I94	S58-A70 PolarHBondContact OG-O 3.31Å; L62-A70 HydrophobicContact CB-CB 4.41Å; N66-A70 WeakPolarHBondContact O-CB 3.27Å; N66-A70 PolarHBondContact O-N 2.77Å; N66-A70 VanDerWaalsContact O-N 3.1Å; L67-A70 PolarHBondContact O-N 3.46Å; A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 3.45Å; A70-A74 VanDerWaalsContact O-N 3.09Å; A70-I94 HydrophobicContact CB-CD1 3.76Å; A70-I94 HydrophobicContact CB-CG1 3.93Å; A70-I94 HydrophobicContact CB-CG2 4Å; A70-I94 WeakPolarHBondContact O-CD1 3.34Å
71	L	94.1	Very high	91.5	Very high	20 Å²	20	48 Å²	48	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177	-77.5	177.2	0	0	0	112.4	L67 T68 D73 A74 D75 K91 I94 L95 K98	L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.41Å; T68-L71 PolarHBondContact O-N 3Å; L71-D73 PolarHBondContact O-N 3.14Å; L71-A74 PolarHBondContact O-N 2.84Å; L71-D75 WeakPolarHBondContact O-CB 3.36Å; L71-D75 PolarHBondContact O-N 3.04Å; L71-K91 HydrophobicContact CD2-CG 4.42Å; L71-I94 HydrophobicContact CB-CG2 4.46Å; L71-I94 HydrophobicContact CD1-CG2 4.39Å; L71-I94 HydrophobicContact CD2-CB 3.79Å; L71-I94 HydrophobicContact CD2-CD1 4.5Å; L71-I94 HydrophobicContact CD2-CG2 3.49Å; L71-I94 VanDerWaalsContact CD2-CG2 3.49Å; L71-I94 HydrophobicContact CG-CB 4.31Å; L71-I94 HydrophobicContact CG-CG2 3.45Å; L71-I94 VanDerWaalsContact CG-CG2 3.45Å; L71-L95 HydrophobicContact CD1-CD2 4.43Å; L71-L95 HydrophobicContact CD2-CD2 4.07Å; L71-L95 HydrophobicContact CD2-CG 4.07Å; L71-K98 HydrophobicContact CD1-CD 3.81Å
72	S	94.3	Very high	90.8	Very high	58 Å²	58	51 Å²	51	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-43.6	-179.1	59.4	0	0	0	0	112.2	T68 K69 D75 V76	T68-S72 PolarHBondContact O-N 3.33Å; K69-S72 WeakPolarHBondContact CA-OG 3.37Å; K69-S72 PolarHBondContact O-N 3.46Å; K69-S72 PolarHBondContact O-OG 3.31Å; S72-D75 PolarHBondContact O-N 2.73Å; S72-V76 WeakPolarHBondContact O-CG2 3.33Å; S72-V76 PolarHBondContact O-N 2.85Å
73	D	93.2	Very high	90.2	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.064	32%	0.317	C	S	.	.	H	α-helix	trans	-66.9	-38.7	178.1	-79.2	-6.4	0	0	0	112.2	R57 Y61 K69 L71 D75 V76 A77	R57-D73 IonicContact CZ-OD1 3.63Å; R57-D73 IonicContact CZ-OD2 3.49Å; R57-D73 IonicContact NE-OD1 3.9Å; R57-D73 IonicContact NE-OD2 2.92Å; R57-D73 PolarHBondContact NE-OD2 2.67Å; R57-D73 IonicContact NH2-OD1 3.77Å; R57-D73 PolarHBondContact NH2-OD1 3.4Å; R57-D73 IonicContact NH2-OD2 3.55Å; R57-D73 PolarHBondContact NH2-OD2 2.6Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.31Å; K69-D73 PolarHBondContact O-N 2.97Å; L71-D73 PolarHBondContact O-N 3.14Å; D73-D75 VanDerWaalsContact C-N 3.33Å; D73-V76 PolarHBondContact O-N 3.26Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.99Å
74	A	92.7	Very high	90	Very high	1 Å²	1	56 Å²	56	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-36.5	176.2	0	0	0	0	0	111.9	A70 L71 A77 L78 K91 I94	A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 3.45Å; A70-A74 VanDerWaalsContact O-N 3.09Å; L71-A74 PolarHBondContact O-N 2.84Å; A74-A77 PolarHBondContact O-N 3.08Å; A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 3.2Å; A74-L78 VanDerWaalsContact O-N 3.12Å; A74-K91 HydrophobicContact CB-CB 4.27Å; A74-I94 HydrophobicContact CB-CD1 3.92Å
75	D	92.5	Very high	89.9	Confident	63 Å²	63	56 Å²	56	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-45.1	175.8	-77.2	-20.3	0	0	0	112	L71 S72 D73 A77 L78 L79 K91	L71-D75 WeakPolarHBondContact O-CB 3.36Å; L71-D75 PolarHBondContact O-N 3.04Å; S72-D75 PolarHBondContact O-N 2.73Å; D73-D75 VanDerWaalsContact C-N 3.33Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.48Å; D75-L78 PolarHBondContact O-N 2.87Å; D75-L79 WeakPolarHBondContact O-CG 3.36Å; D75-L79 PolarHBondContact O-N 3.06Å; D75-K91 WeakPolarHBondContact OD1-CD 3.28Å; D75-K91 WeakPolarHBondContact OD1-CE 3.41Å; D75-K91 IonicContact OD1-NZ 2.8Å; D75-K91 PolarHBondContact OD1-NZ 3.32Å
76	V	92	Very high	90	Very high	53 Å²	53	58.4 Å²	58.4	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175	177.9	0	0	0	0	110.8	L54 S72 D73 L78 L79	L54-V76 HydrophobicContact CD1-CB 4.24Å; L54-V76 HydrophobicContact CD1-CG1 3.64Å; S72-V76 WeakPolarHBondContact O-CG2 3.33Å; S72-V76 PolarHBondContact O-N 2.85Å; D73-V76 PolarHBondContact O-N 3.26Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.16Å; V76-L79 PolarHBondContact O-N 3.4Å
77	A	90.4	Very high	89.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-32.3	177.4	0	0	0	0	0	113.4	L54 D73 A74 D75 A87	L54-A77 HydrophobicContact CB-CB 4.33Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.99Å; A74-A77 PolarHBondContact O-N 3.08Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.48Å; A77-A87 HydrophobicContact CB-CB 4.19Å
78	L	89.4	Confident	89.9	Confident	21 Å²	21	54.3 Å²	54.3	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-82.9	-22.4	177.7	-74.6	171.5	0	0	0	114	A74 D75 V76 E80 D81 S82 A87 L88 K91	A74-L78 WeakPolarHBondContact O-CG 3.32Å; A74-L78 PolarHBondContact O-N 3.2Å; A74-L78 VanDerWaalsContact O-N 3.12Å; D75-L78 PolarHBondContact O-N 2.87Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.16Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-D81 CarbonylContact O-C 3.36Å; L78-S82 WeakPolarHBondContact O-CA 3.32Å; L78-S82 PolarHBondContact O-N 2.97Å; L78-A87 HydrophobicContact CD2-CB 3.66Å; L78-A87 HydrophobicContact CG-CB 3.78Å; L78-L88 HydrophobicContact CD1-CD2 4.17Å; L78-L88 HydrophobicContact CD2-CD2 3.68Å; L78-L88 HydrophobicContact CD2-CG 3.89Å; L78-K91 HydrophobicContact CD1-CB 4.25Å; L78-K91 HydrophobicContact CD1-CD 3.53Å
79	L	88.9	Confident	89.9	Confident	148 Å²	148	51.5 Å²	51.5	78%	0.775	27%	0.265	S	S	*	.	H	α-helix	trans	-65.7	-39.7	173.7	-75.8	171.4	0	0	0	111.3	D75 V76	D75-L79 WeakPolarHBondContact O-CG 3.36Å; D75-L79 PolarHBondContact O-N 3.06Å; V76-L79 PolarHBondContact O-N 3.4Å
80	E	80.8	Confident	89.9	Confident	106 Å²	106	47 Å²	47	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-70.6	-42.9	177.8	-68.7	-66.8	160	0	0	112.4	N49 R51 L78	N49-E80 HydrophobicContact CB-CG 4.46Å; N49-E80 PolarHBondContact ND2-OE1 3.43Å; R51-E80 HydrophobicContact CG-CB 4.3Å; L78-E80 VanDerWaalsContact C-N 3.34Å
81	D	81.5	Confident	90	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	25%	0.251	S	S	.	.			trans	-140.2	99.5	177	-174.5	-2.7	0	0	0	110.9	R51 L78 N83 Y84	R51-D81 IonicContact NH1-OD2 2.71Å; R51-D81 PolarHBondContact NH1-OD2 3.46Å; L78-D81 CarbonylContact O-C 3.36Å; D81-N83 PolarHBondContact O-N 3.23Å; D81-N83 VanDerWaalsContact O-N 3.1Å; D81-N83 WeakPolarHBondContact OD1-CA 3.46Å; D81-N83 PolarHBondContact OD1-N 3.38Å; D81-Y84 WeakPolarHBondContact O-CB 3.37Å; D81-Y84 PolarHBondContact O-N 3.23Å; D81-Y84 VanDerWaalsContact O-N 3.09Å
82	S	83.1	Confident	90	Very high	88 Å²	88	47.2 Å²	47.2	62%	0.615	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	178.9	-170.1	0	0	0	0	112.9	L78	L78-S82 WeakPolarHBondContact O-CA 3.32Å; L78-S82 PolarHBondContact O-N 2.97Å
83	N	80.6	Confident	90	Very high	113 Å²	113	47.1 Å²	47.1	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	15.5	179.2	-67.1	-32.3	0	0	0	113.8	D81 Y85 Q114	D81-N83 PolarHBondContact O-N 3.23Å; D81-N83 VanDerWaalsContact O-N 3.1Å; D81-N83 WeakPolarHBondContact OD1-CA 3.46Å; D81-N83 PolarHBondContact OD1-N 3.38Å; N83-Y85 PolarHBondContact O-N 3.13Å; N83-Q114 PolarHBondContact O-OE1 3.46Å; N83-Q114 PolarHBondContact OD1-NE2 3.33Å; N83-Q114 VanDerWaalsContact OD1-NE2 3.15Å
84	Y	87.9	Confident	90.1	Very high	39 Å²	39	46.6 Å²	46.6	15%	0.153	24%	0.236	C	C	.	.			trans	-80.3	91.9	178.9	-170.1	-138.6	0	0	0	111.8	R51 L55 D81 K86 A87 L88	R51-Y84 HydrophobicContact CB-CE1 4.4Å; L55-Y84 HydrophobicContact CD1-CD1 4.26Å; L55-Y84 HydrophobicContact CD1-CE1 3.46Å; L55-Y84 VanDerWaalsContact CD1-CE1 3.46Å; D81-Y84 WeakPolarHBondContact O-CB 3.37Å; D81-Y84 PolarHBondContact O-N 3.23Å; D81-Y84 VanDerWaalsContact O-N 3.09Å; Y84-K86 HydrophobicContact CE1-CB 4.12Å; Y84-K86 HydrophobicContact CE2-CB 4.11Å; Y84-K86 HydrophobicContact CE2-CD 4.37Å; Y84-K86 HydrophobicContact CE2-CG 4.27Å; Y84-K86 PolarHBondContact O-N 3.25Å; Y84-K86 VanDerWaalsContact O-N 3.11Å; Y84-A87 HydrophobicContact CD1-CB 3.5Å; Y84-A87 VanDerWaalsContact CD1-CB 3.5Å; Y84-A87 HydrophobicContact CE1-CB 4.18Å; Y84-A87 HydrophobicContact CG-CB 4.3Å; Y84-A87 PolarHBondContact O-N 2.85Å; Y84-L88 PolarHBondContact O-N 3.38Å; Y84-L88 VanDerWaalsContact O-N 3.11Å
85	Y	89.2	Confident	90.2	Very high	65 Å²	65	47.1 Å²	47.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-52.6	-37.2	-175.3	77.7	-90	0	0	0	113.8	N83 A87 L88 Y89 R115 L118 F121	N83-Y85 PolarHBondContact O-N 3.13Å; Y85-A87 VanDerWaalsContact C-N 3.33Å; Y85-A87 PolarHBondContact O-N 3.07Å; Y85-L88 WeakPolarHBondContact O-CB 3.47Å; Y85-L88 PolarHBondContact O-N 3.49Å; Y85-Y89 PolarHBondContact O-N 2.97Å; Y85-R115 HydrophobicContact CD1-CG 4.26Å; Y85-R115 HydrophobicContact CG-CG 4.12Å; Y85-L118 HydrophobicContact CD2-CD1 3.55Å; Y85-L118 HydrophobicContact CE2-CD1 3.42Å; Y85-L118 VanDerWaalsContact CE2-CD1 3.42Å; Y85-L118 HydrophobicContact CG-CD1 4.44Å; Y85-F121 HydrophobicContact CD2-CE2 4.15Å; Y85-F121 HydrophobicContact CD2-CZ 4.3Å; Y85-F121 WeakPolarHBondContact O-CZ 3.28Å
86	K	90.7	Very high	90.3	Very high	90 Å²	90	47.2 Å²	47.2	39%	0.391	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-39.8	178.7	-64.3	-170.6	178.3	-174.4	0	111.9	L55 Y84 Y89 L90	L55-K86 VanDerWaalsContact CD1-C 3.48Å; L55-K86 HydrophobicContact CD1-CB 3.5Å; Y84-K86 HydrophobicContact CE1-CB 4.12Å; Y84-K86 HydrophobicContact CE2-CB 4.11Å; Y84-K86 HydrophobicContact CE2-CD 4.37Å; Y84-K86 HydrophobicContact CE2-CG 4.27Å; Y84-K86 PolarHBondContact O-N 3.25Å; Y84-K86 VanDerWaalsContact O-N 3.11Å; K86-Y89 PolarHBondContact O-N 3.32Å; K86-L90 WeakPolarHBondContact O-CB 3.48Å; K86-L90 PolarHBondContact O-N 2.91Å
87	A	91.7	Very high	90.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-33.8	177.1	0	0	0	0	0	111.8	L55 A77 L78 Y84 Y85 Y89 L90 K91	L55-A87 HydrophobicContact CD1-CB 4.07Å; A77-A87 HydrophobicContact CB-CB 4.19Å; L78-A87 HydrophobicContact CD2-CB 3.66Å; L78-A87 HydrophobicContact CG-CB 3.78Å; Y84-A87 HydrophobicContact CD1-CB 3.5Å; Y84-A87 VanDerWaalsContact CD1-CB 3.5Å; Y84-A87 HydrophobicContact CE1-CB 4.18Å; Y84-A87 HydrophobicContact CG-CB 4.3Å; Y84-A87 PolarHBondContact O-N 2.85Å; Y85-A87 VanDerWaalsContact C-N 3.33Å; Y85-A87 PolarHBondContact O-N 3.07Å; A87-Y89 VanDerWaalsContact C-N 3.34Å; A87-L90 PolarHBondContact O-N 2.94Å; A87-K91 VanDerWaalsContact O-CB 3.27Å; A87-K91 WeakPolarHBondContact O-CB 3.31Å; A87-K91 PolarHBondContact O-N 3.12Å
88	L	93.4	Very high	90.4	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-44.7	171.6	-68	175.9	0	0	0	111.4	L78 Y84 Y85 G92 Y107 R110	L78-L88 HydrophobicContact CD1-CD2 4.17Å; L78-L88 HydrophobicContact CD2-CD2 3.68Å; L78-L88 HydrophobicContact CD2-CG 3.89Å; Y84-L88 PolarHBondContact O-N 3.38Å; Y84-L88 VanDerWaalsContact O-N 3.11Å; Y85-L88 WeakPolarHBondContact O-CB 3.47Å; Y85-L88 PolarHBondContact O-N 3.49Å; L88-G92 PolarHBondContact O-N 3.48Å; L88-Y107 HydrophobicContact CD2-CD1 3.84Å; L88-Y107 HydrophobicContact CD2-CE1 4.32Å; L88-R110 HydrophobicContact CD1-CB 4.3Å
89	Y	93.8	Very high	90.3	Very high	46 Å²	46	55.8 Å²	55.8	18%	0.18	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-50.2	177.1	-178.6	-109.9	0	0	0	112	Y85 K86 A87 K91 G92 Q93 F108 M120 F121	Y85-Y89 PolarHBondContact O-N 2.97Å; K86-Y89 PolarHBondContact O-N 3.32Å; A87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-K91 VanDerWaalsContact C-N 3.32Å; Y89-K91 PolarHBondContact O-N 2.85Å; Y89-G92 WeakPolarHBondContact O-CA 3.01Å; Y89-G92 PolarHBondContact O-N 3.47Å; Y89-G92 VanDerWaalsContact O-N 3.11Å; Y89-Q93 HydrophobicContact CD1-CG 4.31Å; Y89-Q93 VanDerWaalsContact CE1-CD 3.42Å; Y89-Q93 HydrophobicContact CE1-CG 3.96Å; Y89-Q93 HydrophobicContact CE2-CG 4.39Å; Y89-Q93 PolarHBondContact O-N 3.46Å; Y89-Q93 PolarHBondContact OH-NE2 3.16Å; Y89-F108 HydrophobicContact CD2-CD1 4Å; Y89-F108 AromaticContact CD2-CE1 3.8Å; Y89-F108 HydrophobicContact CD2-CE1 3.8Å; Y89-F108 HydrophobicContact CE2-CD1 4.32Å; Y89-F108 AromaticContact CE2-CE1 3.87Å; Y89-F108 HydrophobicContact CE2-CE1 3.87Å; Y89-M120 HydrophobicContact CD1-CE 3.11Å; Y89-M120 HydrophobicContact CD2-CB 4.28Å; Y89-M120 HydrophobicContact CD2-CE 3.67Å; Y89-M120 HydrophobicContact CD2-CG 4.04Å; Y89-M120 HydrophobicContact CE1-CE 3.42Å; Y89-M120 VanDerWaalsContact CE1-CE 3.42Å; Y89-M120 HydrophobicContact CE2-CB 3.7Å; Y89-M120 HydrophobicContact CE2-CE 4Å; Y89-M120 HydrophobicContact CE2-CG 3.98Å; Y89-M120 VanDerWaalsContact CE2-O 3.3Å; Y89-M120 WeakPolarHBondContact CE2-O 3.47Å; Y89-M120 HydrophobicContact CG-CE 3.21Å; Y89-F121 VanDerWaalsContact CB-CE1 3.5Å; Y89-F121 AromaticContact CD2-CD1 3.86Å; Y89-F121 HydrophobicContact CD2-CD1 3.86Å; Y89-F121 AromaticContact CD2-CE1 3.82Å; Y89-F121 HydrophobicContact CD2-CE1 3.82Å; Y89-F121 HydrophobicContact CD2-CZ 4.46Å; Y89-F121 HydrophobicContact CG-CE1 4.14Å
90	L	94	Very high	90.4	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-42.3	-179.7	-175.5	61.6	0	0	0	111.1	L55 S58 L62 K86 A87 G92 Q93 I94	L55-L90 HydrophobicContact CD2-CD2 4.24Å; L55-L90 HydrophobicContact CG-CD2 3.78Å; L55-L90 VanDerWaalsContact O-CD2 3.23Å; L55-L90 WeakPolarHBondContact O-CD2 3.41Å; S58-L90 WeakPolarHBondContact OG-CD2 3.36Å; L62-L90 HydrophobicContact CD2-CD1 3.81Å; K86-L90 WeakPolarHBondContact O-CB 3.48Å; K86-L90 PolarHBondContact O-N 2.91Å; A87-L90 PolarHBondContact O-N 2.94Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.36Å; L90-Q93 WeakPolarHBondContact O-CB 3.42Å; L90-Q93 PolarHBondContact O-N 2.95Å; L90-I94 HydrophobicContact CD1-CD1 4.44Å; L90-I94 HydrophobicContact CD1-CG1 4.47Å; L90-I94 HydrophobicContact CG-CD1 3.92Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 WeakPolarHBondContact O-CD1 3.46Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.3Å
91	K	95	Very high	90.9	Very high	24 Å²	24	48.5 Å²	48.5	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-40.6	174.4	-173.1	167.7	179.9	179.1	0	112.4	L71 A74 D75 L78 A87 Y89 I94 L95 Y107	L71-K91 HydrophobicContact CD2-CG 4.42Å; A74-K91 HydrophobicContact CB-CB 4.27Å; D75-K91 WeakPolarHBondContact OD1-CD 3.28Å; D75-K91 WeakPolarHBondContact OD1-CE 3.41Å; D75-K91 IonicContact OD1-NZ 2.8Å; D75-K91 PolarHBondContact OD1-NZ 3.32Å; L78-K91 HydrophobicContact CD1-CB 4.25Å; L78-K91 HydrophobicContact CD1-CD 3.53Å; A87-K91 VanDerWaalsContact O-CB 3.27Å; A87-K91 WeakPolarHBondContact O-CB 3.31Å; A87-K91 PolarHBondContact O-N 3.12Å; Y89-K91 VanDerWaalsContact C-N 3.32Å; Y89-K91 PolarHBondContact O-N 2.85Å; K91-I94 PolarHBondContact O-N 2.95Å; K91-L95 HydrophobicContact CG-CD1 4.05Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 VanDerWaalsContact O-CG 3.31Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.33Å; K91-Y107 HydrophobicContact CD-CD1 4.06Å; K91-Y107 HydrophobicContact CD-CE1 3.65Å; K91-Y107 HydrophobicContact CD-CE2 4.16Å; K91-Y107 HydrophobicContact CD-CG 4.49Å; K91-Y107 WeakPolarHBondContact CE-OH 3.12Å; K91-Y107 HydrophobicContact CG-CD1 4.35Å; K91-Y107 HydrophobicContact CG-CD2 4.37Å; K91-Y107 HydrophobicContact CG-CE1 4.38Å; K91-Y107 HydrophobicContact CG-CE2 4.41Å; K91-Y107 HydrophobicContact CG-CG 4.37Å; K91-Y107 PolarHBondContact NZ-OH 2.83Å
92	G	94.2	Very high	91.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-46.4	172.4	0	0	0	0	0	112.2	L88 Y89 L90 L95 Y96 A104	L88-G92 PolarHBondContact O-N 3.48Å; Y89-G92 WeakPolarHBondContact O-CA 3.01Å; Y89-G92 PolarHBondContact O-N 3.47Å; Y89-G92 VanDerWaalsContact O-N 3.11Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.36Å; G92-L95 PolarHBondContact O-N 2.96Å; G92-Y96 WeakPolarHBondContact O-CB 3.37Å; G92-Y96 PolarHBondContact O-N 2.94Å; G92-A104 WeakPolarHBondContact O-CB 3.39Å
93	Q	94.1	Very high	91.6	Very high	56 Å²	56	52.8 Å²	52.8	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.7	-69.7	-171.5	-21.4	0	0	112.7	L62 Y89 L90 L95 Y96 N97 F108	L62-Q93 HydrophobicContact CD2-CB 3.96Å; Y89-Q93 HydrophobicContact CD1-CG 4.31Å; Y89-Q93 VanDerWaalsContact CE1-CD 3.42Å; Y89-Q93 HydrophobicContact CE1-CG 3.96Å; Y89-Q93 HydrophobicContact CE2-CG 4.39Å; Y89-Q93 PolarHBondContact O-N 3.46Å; Y89-Q93 PolarHBondContact OH-NE2 3.16Å; L90-Q93 WeakPolarHBondContact O-CB 3.42Å; L90-Q93 PolarHBondContact O-N 2.95Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3.15Å; Q93-Y96 WeakPolarHBondContact O-CB 3.41Å; Q93-Y96 PolarHBondContact O-N 3.39Å; Q93-N97 PolarHBondContact O-N 2.7Å; Q93-N97 PolarHBondContact O-OD1 3.48Å; Q93-F108 HydrophobicContact CG-CE1 4.32Å; Q93-F108 HydrophobicContact CG-CZ 4.34Å
94	I	95.8	Very high	92.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-40	-179.3	-58.5	154.9	0	0	0	110.8	S58 L62 L67 A70 L71 A74 L90 K91 N97 K98	S58-I94 WeakPolarHBondContact OG-CD1 3.43Å; L62-I94 HydrophobicContact CB-CG1 4.37Å; L62-I94 HydrophobicContact CD1-CB 4.32Å; L62-I94 HydrophobicContact CD1-CG1 3.91Å; L62-I94 HydrophobicContact CD1-CG2 4.48Å; L62-I94 HydrophobicContact CD2-CG1 4.08Å; L62-I94 HydrophobicContact CG-CG1 4.35Å; L67-I94 HydrophobicContact CB-CG2 4.29Å; L67-I94 HydrophobicContact CD2-CG2 4.23Å; A70-I94 HydrophobicContact CB-CD1 3.76Å; A70-I94 HydrophobicContact CB-CG1 3.93Å; A70-I94 HydrophobicContact CB-CG2 4Å; A70-I94 WeakPolarHBondContact O-CD1 3.34Å; L71-I94 HydrophobicContact CB-CG2 4.46Å; L71-I94 HydrophobicContact CD1-CG2 4.39Å; L71-I94 HydrophobicContact CD2-CB 3.79Å; L71-I94 HydrophobicContact CD2-CD1 4.5Å; L71-I94 HydrophobicContact CD2-CG2 3.49Å; L71-I94 VanDerWaalsContact CD2-CG2 3.49Å; L71-I94 HydrophobicContact CG-CB 4.31Å; L71-I94 HydrophobicContact CG-CG2 3.45Å; L71-I94 VanDerWaalsContact CG-CG2 3.45Å; A74-I94 HydrophobicContact CB-CD1 3.92Å; L90-I94 HydrophobicContact CD1-CD1 4.44Å; L90-I94 HydrophobicContact CD1-CG1 4.47Å; L90-I94 HydrophobicContact CG-CD1 3.92Å; L90-I94 HydrophobicContact CG-CG1 4.43Å; L90-I94 WeakPolarHBondContact O-CD1 3.46Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.3Å; K91-I94 PolarHBondContact O-N 2.95Å; I94-N97 PolarHBondContact O-N 2.92Å; I94-K98 WeakPolarHBondContact O-CB 3.35Å; I94-K98 PolarHBondContact O-N 3.2Å
95	L	95.3	Very high	92.4	Very high	13 Å²	13	47 Å²	47	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-39.2	175.4	-71.6	166.8	0	0	0	112	L71 K91 G92 Q93 K98 G99 D100 H103 A104 Y107	L71-L95 HydrophobicContact CD1-CD2 4.43Å; L71-L95 HydrophobicContact CD2-CD2 4.07Å; L71-L95 HydrophobicContact CD2-CG 4.07Å; K91-L95 HydrophobicContact CG-CD1 4.05Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 VanDerWaalsContact O-CG 3.31Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.33Å; G92-L95 PolarHBondContact O-N 2.96Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3.15Å; L95-K98 WeakPolarHBondContact O-CB 3.36Å; L95-K98 PolarHBondContact O-N 3.47Å; L95-K98 VanDerWaalsContact O-N 3.16Å; L95-G99 PolarHBondContact O-N 3.46Å; L95-D100 HydrophobicContact CD2-CB 4.41Å; L95-D100 PolarHBondContact O-N 2.87Å; L95-H103 HydrophobicContact CD1-CB 3.94Å; L95-H103 HydrophobicContact CD2-CB 4.45Å; L95-A104 HydrophobicContact CB-CB 3.92Å; L95-Y107 HydrophobicContact CD1-CD2 3.34Å; L95-Y107 HydrophobicContact CD1-CE2 3.53Å; L95-Y107 HydrophobicContact CD1-CG 4.39Å
96	Y	94.2	Very high	92.6	Very high	65 Å²	65	45.2 Å²	45.2	26%	0.255	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-48.4	173.7	-177.7	-90.1	0	0	0	110.8	G92 Q93 K98 G99 F101 K127 A131	G92-Y96 WeakPolarHBondContact O-CB 3.37Å; G92-Y96 PolarHBondContact O-N 2.94Å; Q93-Y96 WeakPolarHBondContact O-CB 3.41Å; Q93-Y96 PolarHBondContact O-N 3.39Å; Y96-K98 PolarHBondContact O-N 3.37Å; Y96-G99 PolarHBondContact O-N 2.85Å; Y96-F101 AromaticContact CD2-CD1 3.66Å; Y96-F101 HydrophobicContact CD2-CD1 3.66Å; Y96-F101 HydrophobicContact CD2-CE1 4.07Å; Y96-F101 AromaticContact CE2-CD1 3.77Å; Y96-F101 HydrophobicContact CE2-CD1 3.77Å; Y96-F101 AromaticContact CE2-CE1 3.93Å; Y96-F101 HydrophobicContact CE2-CE1 3.93Å; Y96-F101 HydrophobicContact CG-CD1 4.36Å; Y96-K127 HydrophobicContact CE2-CB 3.84Å; Y96-A131 HydrophobicContact CE2-CB 4.11Å
97	N	91.5	Very high	92.7	Very high	91 Å²	91	42.8 Å²	42.8	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-67.1	-22.7	177	-72	28.7	0	0	0	113.1	L62 L67 Q93 I94	L62-N97 HydrophobicContact CD1-CB 4.04Å; L62-N97 WeakPolarHBondContact CD1-ND2 3.49Å; L67-N97 WeakPolarHBondContact CD1-O 3.43Å; L67-N97 HydrophobicContact CD2-CB 3.79Å; Q93-N97 PolarHBondContact O-N 2.7Å; Q93-N97 PolarHBondContact O-OD1 3.48Å; I94-N97 PolarHBondContact O-N 2.92Å
98	K	92.6	Very high	92.8	Very high	120 Å²	120	43 Å²	43	52%	0.522	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.7	172.3	-167.6	176.4	173.8	-170.5	0	112.8	L67 L71 I94 L95 Y96 D100	L67-K98 HydrophobicContact CD1-CB 3.98Å; L67-K98 HydrophobicContact CD1-CG 4.4Å; L71-K98 HydrophobicContact CD1-CD 3.81Å; I94-K98 WeakPolarHBondContact O-CB 3.35Å; I94-K98 PolarHBondContact O-N 3.2Å; L95-K98 WeakPolarHBondContact O-CB 3.36Å; L95-K98 PolarHBondContact O-N 3.47Å; L95-K98 VanDerWaalsContact O-N 3.16Å; Y96-K98 PolarHBondContact O-N 3.37Å; K98-D100 VanDerWaalsContact C-N 3.34Å
99	G	88.8	Confident	92.8	Very high	42 Å²	42	46 Å²	46	43%	0.433	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.8	-174.5	0	0	0	0	0	113.9	L95 Y96 F101	L95-G99 PolarHBondContact O-N 3.46Å; Y96-G99 PolarHBondContact O-N 2.85Å; G99-F101 VanDerWaalsContact C-N 3.34Å; G99-F101 PolarHBondContact O-N 3.48Å
100	D	90.3	Very high	92.6	Very high	48 Å²	48	48.8 Å²	48.8	26%	0.257	24%	0.235	S	C	.	.			trans	-93.3	68.9	178.5	-168	-7.6	0	0	0	110.1	L95 K98 E102 H103 A104	L95-D100 HydrophobicContact CD2-CB 4.41Å; L95-D100 PolarHBondContact O-N 2.87Å; K98-D100 VanDerWaalsContact C-N 3.34Å; D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 PolarHBondContact O-N 3.46Å; D100-H103 PolarHBondContact O-N 3.03Å; D100-H103 IonicContact OD1-CE1 3.11Å; D100-H103 IonicContact OD1-CG 2.65Å; D100-H103 PolarHBondContact OD1-N 3.47Å; D100-H103 IonicContact OD1-ND1 3.22Å; D100-H103 PolarHBondContact OD1-ND1 3.01Å; D100-H103 IonicContact OD2-CE1 3.99Å; D100-H103 IonicContact OD2-CG 3.73Å; D100-H103 IonicContact OD2-ND1 3.63Å; D100-H103 PolarHBondContact OD2-ND1 3.45Å; D100-A104 WeakPolarHBondContact O-CB 3.39Å; D100-A104 PolarHBondContact O-N 3.19Å
101	F	90.3	Very high	92.4	Very high	53 Å²	53	48.5 Å²	48.5	23%	0.232	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-34.9	-171.4	-52	-56	0	0	0	112.8	Y96 G99 A104 L105 A131 I132	Y96-F101 AromaticContact CD2-CD1 3.66Å; Y96-F101 HydrophobicContact CD2-CD1 3.66Å; Y96-F101 HydrophobicContact CD2-CE1 4.07Å; Y96-F101 AromaticContact CE2-CD1 3.77Å; Y96-F101 HydrophobicContact CE2-CD1 3.77Å; Y96-F101 AromaticContact CE2-CE1 3.93Å; Y96-F101 HydrophobicContact CE2-CE1 3.93Å; Y96-F101 HydrophobicContact CG-CD1 4.36Å; G99-F101 VanDerWaalsContact C-N 3.34Å; G99-F101 PolarHBondContact O-N 3.48Å; F101-A104 WeakPolarHBondContact O-CB 3.11Å; F101-A104 PolarHBondContact O-N 2.96Å; F101-L105 WeakPolarHBondContact O-CB 3.44Å; F101-L105 PolarHBondContact O-N 3.37Å; F101-A131 HydrophobicContact CB-CB 4.39Å; F101-A131 HydrophobicContact CD1-CB 3.65Å; F101-A131 HydrophobicContact CD2-CB 3.85Å; F101-A131 HydrophobicContact CE1-CB 3.78Å; F101-A131 HydrophobicContact CE2-CB 3.96Å; F101-A131 HydrophobicContact CG-CB 3.69Å; F101-A131 HydrophobicContact CZ-CB 3.93Å; F101-I132 HydrophobicContact CB-CD1 4.05Å; F101-I132 HydrophobicContact CB-CG1 3.58Å
102	E	89	Confident	92.2	Very high	134 Å²	134	48.2 Å²	48.2	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-63	-48.1	178.7	-62.7	178	168.3	0	0	111.1	D100 L105 V106 I132	D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 PolarHBondContact O-N 3.46Å; E102-L105 WeakPolarHBondContact O-CB 3.43Å; E102-L105 PolarHBondContact O-N 3.2Å; E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 2.67Å; E102-I132 HydrophobicContact CG-CD1 4.27Å
103	H	91.5	Very high	92	Very high	95 Å²	95	54.3 Å²	54.3	44%	0.44	26%	0.261	S	S	.	.	H	α-helix	trans	-70	-38.5	176.9	-68.9	85.1	0	0	0	111.3	L95 D100 L105 V106 Y107	L95-H103 HydrophobicContact CD1-CB 3.94Å; L95-H103 HydrophobicContact CD2-CB 4.45Å; D100-H103 PolarHBondContact O-N 3.03Å; D100-H103 IonicContact OD1-CE1 3.11Å; D100-H103 IonicContact OD1-CG 2.65Å; D100-H103 PolarHBondContact OD1-N 3.47Å; D100-H103 IonicContact OD1-ND1 3.22Å; D100-H103 PolarHBondContact OD1-ND1 3.01Å; D100-H103 IonicContact OD2-CE1 3.99Å; D100-H103 IonicContact OD2-CG 3.73Å; D100-H103 IonicContact OD2-ND1 3.63Å; D100-H103 PolarHBondContact OD2-ND1 3.45Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.16Å; H103-V106 WeakPolarHBondContact O-CB 3.38Å; H103-V106 PolarHBondContact O-N 3.37Å; H103-Y107 VanDerWaalsContact O-CD2 3.22Å; H103-Y107 WeakPolarHBondContact O-CD2 3.41Å; H103-Y107 PolarHBondContact O-N 3.18Å
104	A	92.5	Very high	91.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.1	-47	174.2	0	0	0	0	0	111.6	G92 L95 D100 F101 V106 Y107 F108	G92-A104 WeakPolarHBondContact O-CB 3.39Å; L95-A104 HydrophobicContact CB-CB 3.92Å; D100-A104 WeakPolarHBondContact O-CB 3.39Å; D100-A104 PolarHBondContact O-N 3.19Å; F101-A104 WeakPolarHBondContact O-CB 3.11Å; F101-A104 PolarHBondContact O-N 2.96Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 2.8Å; A104-Y107 PolarHBondContact O-N 3.18Å; A104-Y107 VanDerWaalsContact O-N 3.13Å; A104-F108 HydrophobicContact CB-CD2 4.45Å; A104-F108 HydrophobicContact CB-CE2 4.05Å; A104-F108 WeakPolarHBondContact O-CD2 3.36Å; A104-F108 WeakPolarHBondContact O-CG 3.26Å; A104-F108 PolarHBondContact O-N 3.28Å
105	L	92.7	Very high	90.9	Very high	30 Å²	30	60 Å²	60	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-57.2	-43.3	177.5	-173.9	59.9	0	0	0	112	F101 E102 H103 Y107 F108 H109 I125 E129 I132	F101-L105 WeakPolarHBondContact O-CB 3.44Å; F101-L105 PolarHBondContact O-N 3.37Å; E102-L105 WeakPolarHBondContact O-CB 3.43Å; E102-L105 PolarHBondContact O-N 3.2Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.16Å; L105-Y107 PolarHBondContact O-N 3.33Å; L105-F108 PolarHBondContact O-N 3.47Å; L105-H109 PolarHBondContact O-CD2 3.36Å; L105-H109 VanDerWaalsContact O-CD2 3.22Å; L105-H109 PolarHBondContact O-N 3.38Å; L105-I125 HydrophobicContact CD1-CB 4.14Å; L105-I125 HydrophobicContact CD1-CG1 4.18Å; L105-I125 HydrophobicContact CD1-CG2 3.84Å; L105-E129 HydrophobicContact CD1-CG 3.82Å; L105-E129 HydrophobicContact CD2-CG 4.14Å; L105-I132 HydrophobicContact CD2-CD1 3.96Å
106	V	93.2	Very high	90.4	Very high	28 Å²	28	61.5 Å²	61.5	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.7	173	0	0	0	0	111.8	E102 H103 A104 R110 Y257	E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 2.67Å; H103-V106 WeakPolarHBondContact O-CB 3.38Å; H103-V106 PolarHBondContact O-N 3.37Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 2.8Å; V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.26Å; V106-R110 PolarHBondContact O-N 3.46Å; V106-Y257 HydrophobicContact CG2-CD1 4.26Å; V106-Y257 HydrophobicContact CG2-CE1 4.15Å
107	Y	92.7	Very high	89.7	Confident	39 Å²	39	63.2 Å²	63.2	15%	0.153	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-37.1	179.1	-76.8	-79	0	0	0	112.3	L88 K91 L95 H103 A104 L105 R110 G111	L88-Y107 HydrophobicContact CD2-CD1 3.84Å; L88-Y107 HydrophobicContact CD2-CE1 4.32Å; K91-Y107 HydrophobicContact CD-CD1 4.06Å; K91-Y107 HydrophobicContact CD-CE1 3.65Å; K91-Y107 HydrophobicContact CD-CE2 4.16Å; K91-Y107 HydrophobicContact CD-CG 4.49Å; K91-Y107 WeakPolarHBondContact CE-OH 3.12Å; K91-Y107 HydrophobicContact CG-CD1 4.35Å; K91-Y107 HydrophobicContact CG-CD2 4.37Å; K91-Y107 HydrophobicContact CG-CE1 4.38Å; K91-Y107 HydrophobicContact CG-CE2 4.41Å; K91-Y107 HydrophobicContact CG-CG 4.37Å; K91-Y107 PolarHBondContact NZ-OH 2.83Å; L95-Y107 HydrophobicContact CD1-CD2 3.34Å; L95-Y107 HydrophobicContact CD1-CE2 3.53Å; L95-Y107 HydrophobicContact CD1-CG 4.39Å; H103-Y107 VanDerWaalsContact O-CD2 3.22Å; H103-Y107 WeakPolarHBondContact O-CD2 3.41Å; H103-Y107 PolarHBondContact O-N 3.18Å; A104-Y107 PolarHBondContact O-N 3.18Å; A104-Y107 VanDerWaalsContact O-N 3.13Å; L105-Y107 PolarHBondContact O-N 3.33Å; Y107-R110 PolarHBondContact O-N 2.94Å; Y107-G111 PolarHBondContact O-N 2.88Å
108	F	94.3	Very high	89.3	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-42.5	174.5	-63.2	-50.6	0	0	0	112.1	Y89 Q93 A104 L105 R110 G111 Q112 F121 G124 I125 S128	Y89-F108 HydrophobicContact CD2-CD1 4Å; Y89-F108 AromaticContact CD2-CE1 3.8Å; Y89-F108 HydrophobicContact CD2-CE1 3.8Å; Y89-F108 HydrophobicContact CE2-CD1 4.32Å; Y89-F108 AromaticContact CE2-CE1 3.87Å; Y89-F108 HydrophobicContact CE2-CE1 3.87Å; Q93-F108 HydrophobicContact CG-CE1 4.32Å; Q93-F108 HydrophobicContact CG-CZ 4.34Å; A104-F108 HydrophobicContact CB-CD2 4.45Å; A104-F108 HydrophobicContact CB-CE2 4.05Å; A104-F108 WeakPolarHBondContact O-CD2 3.36Å; A104-F108 WeakPolarHBondContact O-CG 3.26Å; A104-F108 PolarHBondContact O-N 3.28Å; L105-F108 PolarHBondContact O-N 3.47Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 3.44Å; F108-G111 PolarHBondContact O-N 2.98Å; F108-Q112 WeakPolarHBondContact O-CB 3.49Å; F108-Q112 PolarHBondContact O-N 3.48Å; F108-F121 HydrophobicContact CB-CD1 4.48Å; F108-F121 HydrophobicContact CD1-CD1 4.17Å; F108-F121 WeakPolarHBondContact O-CD1 3.32Å; F108-G124 VanDerWaalsContact CD2-O 3.32Å; F108-G124 WeakPolarHBondContact CD2-O 3.22Å; F108-G124 WeakPolarHBondContact CE2-O 3.44Å; F108-I125 HydrophobicContact CB-CD1 4.47Å; F108-I125 HydrophobicContact CB-CG1 3.65Å; F108-S128 WeakPolarHBondContact CE2-OG 3.46Å
109	H	92.7	Very high	88.8	Confident	72 Å²	72	59 Å²	59	33%	0.333	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-37.4	173.3	-79	-56.8	0	0	0	113.2	L105 G111 Q112 Q113 I125	L105-H109 PolarHBondContact O-CD2 3.36Å; L105-H109 VanDerWaalsContact O-CD2 3.22Å; L105-H109 PolarHBondContact O-N 3.38Å; H109-G111 VanDerWaalsContact C-N 3.34Å; H109-Q112 PolarHBondContact O-N 3.44Å; H109-Q113 VanDerWaalsContact O-CG 3.32Å; H109-Q113 WeakPolarHBondContact O-CG 3.49Å; H109-Q113 PolarHBondContact O-N 3.13Å; H109-I125 WeakPolarHBondContact ND1-CD1 3.41Å
110	R	90.5	Very high	88.7	Confident	104 Å²	104	59.8 Å²	59.8	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-41.5	175.3	-76.3	174.7	-177.3	-176.1	2.9	111.7	L88 V106 Y107 F108 Q113 Q114	L88-R110 HydrophobicContact CD1-CB 4.3Å; V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.26Å; V106-R110 PolarHBondContact O-N 3.46Å; Y107-R110 PolarHBondContact O-N 2.94Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 3.44Å; R110-Q113 PolarHBondContact O-N 3.02Å; R110-Q114 PolarHBondContact O-N 3.33Å
111	G	89.4	Confident	88.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-43.4	175.4	0	0	0	0	0	113	Y107 F108 H109 Q113 Q114 R115 F121	Y107-G111 PolarHBondContact O-N 2.88Å; F108-G111 PolarHBondContact O-N 2.98Å; H109-G111 VanDerWaalsContact C-N 3.34Å; G111-Q113 VanDerWaalsContact C-N 3.25Å; G111-Q113 PolarHBondContact O-N 2.91Å; G111-Q114 PolarHBondContact O-N 3.32Å; G111-R115 PolarHBondContact O-N 3.5Å; G111-F121 VanDerWaalsContact CA-CE1 3.46Å; G111-F121 VanDerWaalsContact CA-CZ 3.5Å
112	Q	90.5	Very high	88.6	Confident	18 Å²	18	57.8 Å²	57.8	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-37.4	173.2	-172.2	70.9	21.2	0	0	111.6	F108 H109 Q114 R115 P116 F121 I125 H290	F108-Q112 WeakPolarHBondContact O-CB 3.49Å; F108-Q112 PolarHBondContact O-N 3.48Å; H109-Q112 PolarHBondContact O-N 3.44Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 2.91Å; Q112-R115 CarbonylContact O-C 3.33Å; Q112-P116 PolarHBondContact NE2-O 2.89Å; Q112-P116 VanDerWaalsContact O-CA 3.26Å; Q112-P116 WeakPolarHBondContact O-CA 3.2Å; Q112-P116 VanDerWaalsContact O-CD 3.29Å; Q112-P116 WeakPolarHBondContact O-CD 3.46Å; Q112-P116 VanDerWaalsContact O-CG 3.27Å; Q112-P116 WeakPolarHBondContact O-CG 3.29Å; Q112-F121 HydrophobicContact CB-CB 4.04Å; Q112-I125 HydrophobicContact CB-CD1 4.06Å; Q112-I125 HydrophobicContact CG-CD1 4.27Å; Q112-H290 PolarHBondContact NE2-NE2 3.26Å
113	Q	89.1	Confident	88.5	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-31.2	175.6	-78	174	14.4	0	0	113	H109 R110 G111	H109-Q113 VanDerWaalsContact O-CG 3.32Å; H109-Q113 WeakPolarHBondContact O-CG 3.49Å; H109-Q113 PolarHBondContact O-N 3.13Å; R110-Q113 PolarHBondContact O-N 3.02Å; G111-Q113 VanDerWaalsContact C-N 3.25Å; G111-Q113 PolarHBondContact O-N 2.91Å
114	Q	85	Confident	88.3	Confident	61 Å²	61	50.9 Å²	50.9	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-82.5	-36	178	-69.7	177	1.9	0	0	112.5	N83 R110 G111 Q112	N83-Q114 PolarHBondContact O-OE1 3.46Å; N83-Q114 PolarHBondContact OD1-NE2 3.33Å; N83-Q114 VanDerWaalsContact OD1-NE2 3.15Å; R110-Q114 PolarHBondContact O-N 3.33Å; G111-Q114 PolarHBondContact O-N 3.32Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 2.91Å
115	R	83.6	Confident	88.3	Confident	114 Å²	114	51.3 Å²	51.3	43%	0.43	24%	0.238	S	C	.	.			trans	-141.8	76.2	-175.4	-67.6	-69.6	177.6	-176.2	-1.6	110.8	Y85 G111 Q112 E117 L118	Y85-R115 HydrophobicContact CD1-CG 4.26Å; Y85-R115 HydrophobicContact CG-CG 4.12Å; G111-R115 PolarHBondContact O-N 3.5Å; Q112-R115 CarbonylContact O-C 3.33Å; R115-E117 VanDerWaalsContact C-OE2 3.26Å; R115-E117 WeakPolarHBondContact CA-OE2 3.49Å; R115-E117 WeakPolarHBondContact CD-OE1 3.29Å; R115-E117 IonicContact CZ-OE1 3.45Å; R115-E117 IonicContact NE-OE1 2.74Å; R115-E117 IonicContact NH1-OE1 3.35Å; R115-E117 PolarHBondContact NH1-OE1 2.89Å; R115-E117 PolarHBondContact O-N 2.96Å; R115-L118 HydrophobicContact CB-CB 4.45Å; R115-L118 HydrophobicContact CB-CD1 3.65Å; R115-L118 HydrophobicContact CB-CG 3.99Å; R115-L118 HydrophobicContact CG-CD1 4.05Å; R115-L118 PolarHBondContact O-N 3.32Å
116	P	83	Confident	88.1	Confident	44 Å²	44	53 Å²	53	29%	0.286	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.4	-179.9	-20.9	30.8	0	0	0	114	Q112 L118	Q112-P116 PolarHBondContact NE2-O 2.89Å; Q112-P116 VanDerWaalsContact O-CA 3.26Å; Q112-P116 WeakPolarHBondContact O-CA 3.2Å; Q112-P116 VanDerWaalsContact O-CD 3.29Å; Q112-P116 WeakPolarHBondContact O-CD 3.46Å; Q112-P116 VanDerWaalsContact O-CG 3.27Å; Q112-P116 WeakPolarHBondContact O-CG 3.29Å; P116-L118 VanDerWaalsContact C-N 3.25Å; P116-L118 PolarHBondContact O-N 2.93Å
117	E	81.5	Confident	87.8	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.1	179.6	63.9	-88.4	-156.1	0	0	113.8	R115 Q119	R115-E117 VanDerWaalsContact C-OE2 3.26Å; R115-E117 WeakPolarHBondContact CA-OE2 3.49Å; R115-E117 WeakPolarHBondContact CD-OE1 3.29Å; R115-E117 IonicContact CZ-OE1 3.45Å; R115-E117 IonicContact NE-OE1 2.74Å; R115-E117 IonicContact NH1-OE1 3.35Å; R115-E117 PolarHBondContact NH1-OE1 2.89Å; R115-E117 PolarHBondContact O-N 2.96Å; E117-Q119 PolarHBondContact O-N 2.84Å
118	L	81.5	Confident	87.6	Confident	48 Å²	48	53.7 Å²	53.7	25%	0.251	25%	0.247	S	C	.	.			trans	-86.3	106.8	-174.3	-68.2	177.2	0	0	0	111.6	Y85 R115 P116 M120 F121	Y85-L118 HydrophobicContact CD2-CD1 3.55Å; Y85-L118 HydrophobicContact CE2-CD1 3.42Å; Y85-L118 VanDerWaalsContact CE2-CD1 3.42Å; Y85-L118 HydrophobicContact CG-CD1 4.44Å; R115-L118 HydrophobicContact CB-CB 4.45Å; R115-L118 HydrophobicContact CB-CD1 3.65Å; R115-L118 HydrophobicContact CB-CG 3.99Å; R115-L118 HydrophobicContact CG-CD1 4.05Å; R115-L118 PolarHBondContact O-N 3.32Å; P116-L118 VanDerWaalsContact C-N 3.25Å; P116-L118 PolarHBondContact O-N 2.93Å; L118-M120 HydrophobicContact CB-CG 4.02Å; L118-M120 HydrophobicContact CB-SD 4.14Å; L118-M120 HydrophobicContact CD1-SD 4.12Å; L118-M120 HydrophobicContact CG-SD 4.5Å; L118-M120 PolarHBondContact O-N 3.26Å; L118-M120 VanDerWaalsContact O-N 3.14Å; L118-F121 HydrophobicContact CB-CD2 3.95Å; L118-F121 HydrophobicContact CB-CE2 4.32Å; L118-F121 HydrophobicContact CD1-CE2 4.06Å; L118-F121 PolarHBondContact O-N 3.28Å
119	Q	82.5	Confident	87.3	Confident	76 Å²	76	55.7 Å²	55.7	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-26.9	-177.7	-59.7	-171	12.7	0	0	114	E117 F121 R122 L123 H372	E117-Q119 PolarHBondContact O-N 2.84Å; Q119-F121 PolarHBondContact O-N 2.84Å; Q119-F121 VanDerWaalsContact O-N 3.17Å; Q119-R122 WeakPolarHBondContact O-CB 3.37Å; Q119-R122 PolarHBondContact O-N 2.93Å; Q119-L123 PolarHBondContact O-N 3.19Å; Q119-H372 PolarHBondContact OE1-CE1 3.02Å; Q119-H372 PolarHBondContact OE1-ND1 3.37Å
120	M	87.8	Confident	86.8	Confident	58 Å²	58	57.8 Å²	57.8	29%	0.286	27%	0.266	S	S	.	.	H	α-helix	trans	-51.8	-38.5	177.3	65.9	-160.1	-80.7	0	0	112.9	Y89 L118 G124	Y89-M120 HydrophobicContact CD1-CE 3.11Å; Y89-M120 HydrophobicContact CD2-CB 4.28Å; Y89-M120 HydrophobicContact CD2-CE 3.67Å; Y89-M120 HydrophobicContact CD2-CG 4.04Å; Y89-M120 HydrophobicContact CE1-CE 3.42Å; Y89-M120 VanDerWaalsContact CE1-CE 3.42Å; Y89-M120 HydrophobicContact CE2-CB 3.7Å; Y89-M120 HydrophobicContact CE2-CE 4Å; Y89-M120 HydrophobicContact CE2-CG 3.98Å; Y89-M120 VanDerWaalsContact CE2-O 3.3Å; Y89-M120 WeakPolarHBondContact CE2-O 3.47Å; Y89-M120 HydrophobicContact CG-CE 3.21Å; L118-M120 HydrophobicContact CB-CG 4.02Å; L118-M120 HydrophobicContact CB-SD 4.14Å; L118-M120 HydrophobicContact CD1-SD 4.12Å; L118-M120 HydrophobicContact CG-SD 4.5Å; L118-M120 PolarHBondContact O-N 3.26Å; L118-M120 VanDerWaalsContact O-N 3.14Å; M120-G124 PolarHBondContact O-N 2.98Å
121	F	90.9	Very high	86.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.8	-41.2	177.8	-71.9	-65.8	0	0	0	112.1	Y85 Y89 F108 G111 Q112 L118 Q119 L123 G124 I125	Y85-F121 HydrophobicContact CD2-CE2 4.15Å; Y85-F121 HydrophobicContact CD2-CZ 4.3Å; Y85-F121 WeakPolarHBondContact O-CZ 3.28Å; Y89-F121 VanDerWaalsContact CB-CE1 3.5Å; Y89-F121 AromaticContact CD2-CD1 3.86Å; Y89-F121 HydrophobicContact CD2-CD1 3.86Å; Y89-F121 AromaticContact CD2-CE1 3.82Å; Y89-F121 HydrophobicContact CD2-CE1 3.82Å; Y89-F121 HydrophobicContact CD2-CZ 4.46Å; Y89-F121 HydrophobicContact CG-CE1 4.14Å; F108-F121 HydrophobicContact CB-CD1 4.48Å; F108-F121 HydrophobicContact CD1-CD1 4.17Å; F108-F121 WeakPolarHBondContact O-CD1 3.32Å; G111-F121 VanDerWaalsContact CA-CE1 3.46Å; G111-F121 VanDerWaalsContact CA-CZ 3.5Å; Q112-F121 HydrophobicContact CB-CB 4.04Å; L118-F121 HydrophobicContact CB-CD2 3.95Å; L118-F121 HydrophobicContact CB-CE2 4.32Å; L118-F121 HydrophobicContact CD1-CE2 4.06Å; L118-F121 PolarHBondContact O-N 3.28Å; Q119-F121 PolarHBondContact O-N 2.84Å; Q119-F121 VanDerWaalsContact O-N 3.17Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.44Å; F121-G124 PolarHBondContact O-N 2.92Å; F121-I125 VanDerWaalsContact O-CG1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 3.27Å
122	R	87.2	Confident	86.2	Confident	58 Å²	58	55 Å²	55	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-43.2	174.9	-175.9	177.4	176.9	-172.2	-6.9	111.5	Q119 I125 Q126 D293	Q119-R122 WeakPolarHBondContact O-CB 3.37Å; Q119-R122 PolarHBondContact O-N 2.93Å; R122-I125 PolarHBondContact O-N 3.18Å; R122-Q126 WeakPolarHBondContact O-CG 3.4Å; R122-Q126 PolarHBondContact O-N 3.11Å; R122-D293 IonicContact CZ-OD1 2.88Å; R122-D293 VanDerWaalsContact CZ-OD1 3.22Å; R122-D293 IonicContact CZ-OD2 2.96Å; R122-D293 IonicContact NE-OD1 2.59Å; R122-D293 PolarHBondContact NE-OD1 3.1Å; R122-D293 IonicContact NE-OD2 2.93Å; R122-D293 PolarHBondContact NE-OD2 2.96Å; R122-D293 VanDerWaalsContact NH2-CB 3.34Å; R122-D293 IonicContact NH2-OD1 2.92Å; R122-D293 PolarHBondContact NH2-OD1 3.26Å; R122-D293 IonicContact NH2-OD2 3.78Å
123	L	86.9	Confident	85.7	Confident	80 Å²	80	59.7 Å²	59.7	42%	0.419	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-42.8	175	-177.4	64.3	0	0	0	111.5	Q119 F121 I125 Q126 K127	Q119-L123 PolarHBondContact O-N 3.19Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.44Å; L123-I125 PolarHBondContact O-N 3.2Å; L123-Q126 PolarHBondContact O-N 3.24Å; L123-K127 HydrophobicContact CG-CD 4.31Å; L123-K127 WeakPolarHBondContact O-CB 3.44Å; L123-K127 WeakPolarHBondContact O-CG 3.46Å; L123-K127 PolarHBondContact O-N 3.5Å
124	G	87.8	Confident	84.9	Confident	4 Å²	4	57.3 Å²	57.3	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-42.7	174.8	0	0	0	0	0	112.8	F108 M120 F121 K127 S128	F108-G124 VanDerWaalsContact CD2-O 3.32Å; F108-G124 WeakPolarHBondContact CD2-O 3.22Å; F108-G124 WeakPolarHBondContact CE2-O 3.44Å; M120-G124 PolarHBondContact O-N 2.98Å; F121-G124 PolarHBondContact O-N 2.92Å; G124-K127 PolarHBondContact O-N 3.01Å; G124-S128 WeakPolarHBondContact O-CB 3.39Å; G124-S128 PolarHBondContact O-N 3.41Å; G124-S128 PolarHBondContact O-OG 3.11Å
125	I	91.4	Very high	84.4	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.289	C	S	.	.	H	α-helix	trans	-58.7	-51.4	173.9	-71.9	161.2	0	0	0	110.2	L105 F108 H109 Q112 F121 R122 L123 K127 S128 E129	L105-I125 HydrophobicContact CD1-CB 4.14Å; L105-I125 HydrophobicContact CD1-CG1 4.18Å; L105-I125 HydrophobicContact CD1-CG2 3.84Å; F108-I125 HydrophobicContact CB-CD1 4.47Å; F108-I125 HydrophobicContact CB-CG1 3.65Å; H109-I125 WeakPolarHBondContact ND1-CD1 3.41Å; Q112-I125 HydrophobicContact CB-CD1 4.06Å; Q112-I125 HydrophobicContact CG-CD1 4.27Å; F121-I125 VanDerWaalsContact O-CG1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 3.27Å; R122-I125 PolarHBondContact O-N 3.18Å; L123-I125 PolarHBondContact O-N 3.2Å; I125-K127 PolarHBondContact O-N 3Å; I125-S128 PolarHBondContact O-N 3.17Å; I125-E129 VanDerWaalsContact CG2-CD 3.49Å; I125-E129 HydrophobicContact CG2-CG 4.21Å; I125-E129 WeakPolarHBondContact CG2-OE1 3.35Å; I125-E129 WeakPolarHBondContact O-CB 3.44Å; I125-E129 VanDerWaalsContact O-CG 3.29Å; I125-E129 WeakPolarHBondContact O-CG 3.45Å; I125-E129 PolarHBondContact O-N 2.92Å
126	Q	88	Confident	83.5	Confident	65 Å²	65	59 Å²	59	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-58.5	-47.8	179.2	-74.1	171.1	-14.1	0	0	111.8	R122 L123 S128 E129 E130	R122-Q126 WeakPolarHBondContact O-CG 3.4Å; R122-Q126 PolarHBondContact O-N 3.11Å; L123-Q126 PolarHBondContact O-N 3.24Å; Q126-S128 PolarHBondContact O-N 2.87Å; Q126-E129 PolarHBondContact O-N 3.3Å; Q126-E130 VanDerWaalsContact O-CB 3.26Å; Q126-E130 WeakPolarHBondContact O-CB 3.48Å; Q126-E130 PolarHBondContact O-N 3.47Å
127	K	87.3	Confident	81.8	Confident	82 Å²	82	60.2 Å²	60.2	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-46.4	177.5	-73.3	-179.9	177.6	-173	0	111.7	Y96 L123 G124 I125 A131	Y96-K127 HydrophobicContact CE2-CB 3.84Å; L123-K127 HydrophobicContact CG-CD 4.31Å; L123-K127 WeakPolarHBondContact O-CB 3.44Å; L123-K127 WeakPolarHBondContact O-CG 3.46Å; L123-K127 PolarHBondContact O-N 3.5Å; G124-K127 PolarHBondContact O-N 3.01Å; I125-K127 PolarHBondContact O-N 3Å; K127-A131 VanDerWaalsContact O-CB 3.29Å; K127-A131 WeakPolarHBondContact O-CB 3.38Å; K127-A131 PolarHBondContact O-N 3.37Å
128	S	89.7	Confident	80.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-43.4	177.7	-76.5	0	0	0	0	112.6	F108 G124 I125 Q126 A131 I132	F108-S128 WeakPolarHBondContact CE2-OG 3.46Å; G124-S128 WeakPolarHBondContact O-CB 3.39Å; G124-S128 PolarHBondContact O-N 3.41Å; G124-S128 PolarHBondContact O-OG 3.11Å; I125-S128 PolarHBondContact O-N 3.17Å; Q126-S128 PolarHBondContact O-N 2.87Å; S128-A131 PolarHBondContact O-N 3.23Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.98Å
129	E	87.9	Confident	78.2	Confident	47 Å²	47	65.2 Å²	65.2	22%	0.22	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-48.7	176.8	-74.9	171.9	160.4	0	0	110.8	L105 I125 Q126 A131 I132 E133 R297	L105-E129 HydrophobicContact CD1-CG 3.82Å; L105-E129 HydrophobicContact CD2-CG 4.14Å; I125-E129 VanDerWaalsContact CG2-CD 3.49Å; I125-E129 HydrophobicContact CG2-CG 4.21Å; I125-E129 WeakPolarHBondContact CG2-OE1 3.35Å; I125-E129 WeakPolarHBondContact O-CB 3.44Å; I125-E129 VanDerWaalsContact O-CG 3.29Å; I125-E129 WeakPolarHBondContact O-CG 3.45Å; I125-E129 PolarHBondContact O-N 2.92Å; Q126-E129 PolarHBondContact O-N 3.3Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 3.49Å; E129-I132 PolarHBondContact O-N 3.24Å; E129-I132 VanDerWaalsContact O-N 3.14Å; E129-E133 WeakPolarHBondContact O-CB 3.47Å; E129-E133 WeakPolarHBondContact O-CG 3.34Å; E129-E133 PolarHBondContact O-N 3.08Å; E129-R297 VanDerWaalsContact OE2-CD 3.24Å; E129-R297 WeakPolarHBondContact OE2-CD 3.26Å; E129-R297 IonicContact OE2-CZ 3.2Å; E129-R297 IonicContact OE2-NE 3.61Å; E129-R297 PolarHBondContact OE2-NE 3.48Å
130	E	81.6	Confident	76.1	Confident	115 Å²	115	69.7 Å²	69.7	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-42.8	177.6	-175	-179.7	174.3	0	0	111.4	Q126 I132 E133 N134	Q126-E130 VanDerWaalsContact O-CB 3.26Å; Q126-E130 WeakPolarHBondContact O-CB 3.48Å; Q126-E130 PolarHBondContact O-N 3.47Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 2.92Å; E130-E133 PolarHBondContact O-N 3.32Å; E130-N134 VanDerWaalsContact O-CB 3.23Å; E130-N134 WeakPolarHBondContact O-CB 3.37Å; E130-N134 PolarHBondContact O-N 3.43Å; E130-N134 PolarHBondContact O-ND2 3.42Å
131	A	82.6	Confident	73.5	Confident	14 Å²	14	76.3 Å²	76.3	12%	0.116	39%	0.389	C	S	.	.	H	α-helix	trans	-62.6	-38.7	175.7	0	0	0	0	0	112.5	Y96 F101 K127 S128 E129 S135	Y96-A131 HydrophobicContact CE2-CB 4.11Å; F101-A131 HydrophobicContact CB-CB 4.39Å; F101-A131 HydrophobicContact CD1-CB 3.65Å; F101-A131 HydrophobicContact CD2-CB 3.85Å; F101-A131 HydrophobicContact CE1-CB 3.78Å; F101-A131 HydrophobicContact CE2-CB 3.96Å; F101-A131 HydrophobicContact CG-CB 3.69Å; F101-A131 HydrophobicContact CZ-CB 3.93Å; K127-A131 VanDerWaalsContact O-CB 3.29Å; K127-A131 WeakPolarHBondContact O-CB 3.38Å; K127-A131 PolarHBondContact O-N 3.37Å; S128-A131 PolarHBondContact O-N 3.23Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 3.49Å; A131-S135 WeakPolarHBondContact O-CB 3.23Å; A131-S135 PolarHBondContact O-N 3.26Å; A131-S135 VanDerWaalsContact O-N 3.1Å; A131-S135 PolarHBondContact O-OG 2.9Å
132	I	84.4	Confident	70.8	Confident	32 Å²	32	81 Å²	81	16%	0.164	41%	0.413	C	S	.	.	H	α-helix	trans	-69.6	-45.8	175.5	-67.4	162.7	0	0	0	110.7	F101 E102 L105 S128 E129 E130 S135 L136	F101-I132 HydrophobicContact CB-CD1 4.05Å; F101-I132 HydrophobicContact CB-CG1 3.58Å; E102-I132 HydrophobicContact CG-CD1 4.27Å; L105-I132 HydrophobicContact CD2-CD1 3.96Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.98Å; E129-I132 PolarHBondContact O-N 3.24Å; E129-I132 VanDerWaalsContact O-N 3.14Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 2.92Å; I132-S135 CarbonylContact O-C 3.58Å; I132-S135 WeakPolarHBondContact O-CA 3.44Å; I132-S135 WeakPolarHBondContact O-CB 3.39Å; I132-S135 PolarHBondContact O-N 3.17Å; I132-S135 VanDerWaalsContact O-N 3.09Å; I132-L136 HydrophobicContact CG2-CD1 3.72Å; I132-L136 HydrophobicContact CG2-CG 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.26Å; I132-L136 PolarHBondContact O-N 3.13Å
133	E	79.4	Confident	68.1	Low	116 Å²	116	86.9 Å²	86.9	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-43.7	179	-75.8	-177.9	-177	0	0	111.5	E129 E130 S135 L136 T137	E129-E133 WeakPolarHBondContact O-CB 3.47Å; E129-E133 WeakPolarHBondContact O-CG 3.34Å; E129-E133 PolarHBondContact O-N 3.08Å; E130-E133 PolarHBondContact O-N 3.32Å; E133-S135 PolarHBondContact O-N 2.7Å; E133-L136 PolarHBondContact O-N 2.69Å; E133-T137 WeakPolarHBondContact O-CB 3.31Å; E133-T137 WeakPolarHBondContact O-CG2 3.39Å; E133-T137 PolarHBondContact O-N 3.41Å; E133-T137 PolarHBondContact O-OG1 3.44Å
134	N	73.3	Confident	65.7	Low	80 Å²	80	86.8 Å²	86.8	43%	0.428	44%	0.44	S	S	.	.	H	α-helix	trans	-61.3	-34.9	173.1	-71.2	-20.4	0	0	0	111.5	E130	E130-N134 VanDerWaalsContact O-CB 3.23Å; E130-N134 WeakPolarHBondContact O-CB 3.37Å; E130-N134 PolarHBondContact O-N 3.43Å; E130-N134 PolarHBondContact O-ND2 3.42Å
135	S	74	Confident	63	Low	86 Å²	86	88.3 Å²	88.3	60%	0.601	46%	0.456	S	S	*	.	H	α-helix	trans	-73.2	-30.9	175.7	-58.2	0	0	0	0	113.4	A131 I132 E133	A131-S135 WeakPolarHBondContact O-CB 3.23Å; A131-S135 PolarHBondContact O-N 3.26Å; A131-S135 VanDerWaalsContact O-N 3.1Å; A131-S135 PolarHBondContact O-OG 2.9Å; I132-S135 CarbonylContact O-C 3.58Å; I132-S135 WeakPolarHBondContact O-CA 3.44Å; I132-S135 WeakPolarHBondContact O-CB 3.39Å; I132-S135 PolarHBondContact O-N 3.17Å; I132-S135 VanDerWaalsContact O-N 3.09Å; E133-S135 PolarHBondContact O-N 2.7Å
136	L	64.9	Low	60.2	Low	123 Å²	123	90.9 Å²	90.9	64%	0.644	48%	0.475	S	S	*	.	H	α-helix	trans	-87.1	-35.8	-178.9	-71.5	172.7	0	0	0	112.9	I132 E133 G138	I132-L136 HydrophobicContact CG2-CD1 3.72Å; I132-L136 HydrophobicContact CG2-CG 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.26Å; I132-L136 PolarHBondContact O-N 3.13Å; E133-L136 PolarHBondContact O-N 2.69Å; L136-G138 PolarHBondContact O-N 3.23Å
137	T	48.2	Very low	57.6	Low	70 Å²	70	91.6 Å²	91.6	43%	0.429	49%	0.492	S	S	.	.			trans	-85.1	63.7	-177.7	57.5	0	0	0	0	110.5	E133 H139 K140	E133-T137 WeakPolarHBondContact O-CB 3.31Å; E133-T137 WeakPolarHBondContact O-CG2 3.39Å; E133-T137 PolarHBondContact O-N 3.41Å; E133-T137 PolarHBondContact O-OG1 3.44Å; T137-H139 PolarHBondContact O-N 3.1Å; T137-K140 PolarHBondContact O-N 3.43Å
138	G	47.4	Very low	55.2	Low	60 Å²	60	89.6 Å²	89.6	62%	0.619	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-7	177.6	0	0	0	0	0	116.1	L136	L136-G138 PolarHBondContact O-N 3.23Å
139	H	38.6	Very low	52.8	Low	194 Å²	194	90.6 Å²	90.6	90%	0.898	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.6	69.9	172.7	-63.2	-59.6	0	0	0	112.6	T137	T137-H139 PolarHBondContact O-N 3.1Å
140	K	38.6	Very low	50.4	Low	171 Å²	171	91.8 Å²	91.8	74%	0.743	51%	0.506	S	S	*	.			trans	-124.5	108.2	145.5	-88.7	-175.1	-178.4	175.4	0	106.6	T137 I142	T137-K140 PolarHBondContact O-N 3.43Å; K140-I142 VanDerWaalsContact C-N 3.33Å; K140-I142 PolarHBondContact O-N 3.24Å
141	K	33.2	Very low	48.2	Very low	196 Å²	196	87.1 Å²	87.1	85%	0.852	49%	0.49	S	S	*	.			trans	-42.5	100.5	172.2	-69.7	174.3	178.4	175.8	0	108.3	K143	K141-K143 PolarHBondContact O-N 3.24Å
142	I	35.3	Very low	46.1	Very low	98 Å²	98	88.7 Å²	88.7	50%	0.503	49%	0.494	S	S	.	.			trans	-57.1	105.1	140.6	-56.2	177	0	0	0	100.8	K140 I144	K140-I142 VanDerWaalsContact C-N 3.33Å; K140-I142 PolarHBondContact O-N 3.24Å; I142-I144 HydrophobicContact CB-CG1 4.41Å; I142-I144 HydrophobicContact CG2-CG1 3.86Å; I142-I144 PolarHBondContact O-N 2.8Å
143	K	30.5	Very low	44.2	Very low	182 Å²	182	88.3 Å²	88.3	79%	0.791	49%	0.493	S	S	*	.			trans	-63.5	76.5	155.2	-79.3	-178.4	178.2	177.3	0	103.8	K141 G145	K141-K143 PolarHBondContact O-N 3.24Å; K143-G145 PolarHBondContact O-N 3.06Å
144	I	36	Very low	42.5	Very low	79 Å²	79	89.3 Å²	89.3	41%	0.405	50%	0.495	S	S	.	.			trans	-51.4	109.8	139.8	-58.7	178.8	0	0	0	99.8	I142 S146 D485 A489	I142-I144 HydrophobicContact CB-CG1 4.41Å; I142-I144 HydrophobicContact CG2-CG1 3.86Å; I142-I144 PolarHBondContact O-N 2.8Å; I144-S146 PolarHBondContact O-N 2.96Å; I144-D485 HydrophobicContact CD1-CB 4.18Å; I144-A489 HydrophobicContact CD1-CB 4.36Å; I144-A489 HydrophobicContact CG2-CB 4.32Å
145	G	31.2	Very low	41.1	Very low	36 Å²	36	90.4 Å²	90.4	37%	0.371	50%	0.498	S	S	.	.			trans	-55.6	95.9	-170.2	0	0	0	0	0	107.6	K143 A147 G148 A149	K143-G145 PolarHBondContact O-N 3.06Å; G145-A147 PolarHBondContact O-N 3.13Å; G145-G148 WeakPolarHBondContact O-CA 3.33Å; G145-G148 PolarHBondContact O-N 3.14Å; G145-A149 PolarHBondContact O-N 3.34Å
146	S	33.3	Very low	39.5	Very low	63 Å²	63	90.3 Å²	90.3	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-15.2	157.8	88.1	0	0	0	0	107.7	I144 G148 K150 G151	I144-S146 PolarHBondContact O-N 2.96Å; S146-G148 VanDerWaalsContact C-N 3.32Å; S146-K150 VanDerWaalsContact O-CA 3.22Å; S146-K150 WeakPolarHBondContact O-CA 3.44Å; S146-K150 WeakPolarHBondContact O-CB 3.39Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.4Å; S146-K150 PolarHBondContact O-N 2.88Å; S146-G151 PolarHBondContact O-N 2.86Å
147	A	33.5	Very low	38.4	Very low	80 Å²	80	88 Å²	88	66%	0.661	48%	0.477	S	S	*	.	H	α-helix	trans	-63.8	-27.8	161.3	0	0	0	0	0	114.6	G145 G151	G145-A147 PolarHBondContact O-N 3.13Å; A147-G151 WeakPolarHBondContact O-CA 3.46Å; A147-G151 PolarHBondContact O-N 3.42Å
148	G	36.5	Very low	38.2	Very low	39 Å²	39	88.7 Å²	88.7	40%	0.402	48%	0.479	S	S	.	.	H	α-helix	trans	-86.5	-28.5	179.5	0	0	0	0	0	113.9	G145 S146 F152	G145-G148 WeakPolarHBondContact O-CA 3.33Å; G145-G148 PolarHBondContact O-N 3.14Å; S146-G148 VanDerWaalsContact C-N 3.32Å; G148-F152 WeakPolarHBondContact O-CB 3.49Å
149	A	38	Very low	37.9	Very low	21 Å²	21	94 Å²	94	17%	0.174	49%	0.485	C	S	.	.	H	α-helix	trans	-97.3	-53.7	173.4	0	0	0	0	0	112.1	G145 G151 F152 V153 V493	G145-A149 PolarHBondContact O-N 3.34Å; A149-G151 VanDerWaalsContact C-N 3.32Å; A149-G151 PolarHBondContact O-N 2.85Å; A149-F152 PolarHBondContact O-N 3.07Å; A149-V153 PolarHBondContact O-N 3.47Å; A149-V493 HydrophobicContact CB-CG2 3.53Å
150	K	38.2	Very low	37.8	Very low	72 Å²	72	88.9 Å²	88.9	31%	0.313	48%	0.476	S	S	.	.	H	α-helix	trans	-71	-26.3	177.8	-47.6	-173.4	154.7	162	0	113.1	S146 K154 E492 E496	S146-K150 VanDerWaalsContact O-CA 3.22Å; S146-K150 WeakPolarHBondContact O-CA 3.44Å; S146-K150 WeakPolarHBondContact O-CB 3.39Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.4Å; S146-K150 PolarHBondContact O-N 2.88Å; K150-K154 WeakPolarHBondContact O-CB 3.36Å; K150-E492 WeakPolarHBondContact CE-OE2 3.33Å; K150-E492 VanDerWaalsContact NZ-CD 3.27Å; K150-E492 IonicContact NZ-OE1 2.64Å; K150-E492 IonicContact NZ-OE2 3.81Å; K150-E492 PolarHBondContact NZ-OE2 3.48Å; K150-E496 WeakPolarHBondContact CE-OE1 3.31Å; K150-E496 WeakPolarHBondContact CG-OE1 3.45Å
151	G	35.4	Very low	37.8	Very low	18 Å²	18	88.7 Å²	88.7	19%	0.186	48%	0.475	C	S	.	.	H	α-helix	trans	-79.9	-25	174.5	0	0	0	0	0	112.7	S146 A147 A149 Q155	S146-G151 PolarHBondContact O-N 2.86Å; A147-G151 WeakPolarHBondContact O-CA 3.46Å; A147-G151 PolarHBondContact O-N 3.42Å; A149-G151 VanDerWaalsContact C-N 3.32Å; A149-G151 PolarHBondContact O-N 2.85Å; G151-Q155 WeakPolarHBondContact O-CA 3.48Å; G151-Q155 WeakPolarHBondContact O-CB 3.31Å; G151-Q155 WeakPolarHBondContact O-CG 3.49Å; G151-Q155 PolarHBondContact O-N 3.41Å
152	F	37.9	Very low	37.8	Very low	47 Å²	47	83.1 Å²	83.1	21%	0.206	46%	0.461	C	S	.	.	H	α-helix	trans	-87	-40.3	-175.2	-154.4	-88.6	0	0	0	112.3	G148 A149 Q155 M156 Q460	G148-F152 WeakPolarHBondContact O-CB 3.49Å; A149-F152 PolarHBondContact O-N 3.07Å; F152-Q155 PolarHBondContact O-N 3.43Å; F152-M156 HydrophobicContact CD1-SD 4.31Å; F152-M156 HydrophobicContact CE1-CE 3.66Å; F152-M156 HydrophobicContact CE1-CG 4.37Å; F152-M156 HydrophobicContact CE1-SD 3.9Å; F152-M156 HydrophobicContact CZ-CE 4.19Å; F152-M156 PolarHBondContact O-N 3.4Å; F152-M156 VanDerWaalsContact O-N 3.07Å; F152-Q460 HydrophobicContact CD1-CG 4.44Å; F152-Q460 HydrophobicContact CE1-CB 4.47Å; F152-Q460 HydrophobicContact CE1-CG 3.39Å; F152-Q460 HydrophobicContact CE2-CG 4.31Å; F152-Q460 HydrophobicContact CZ-CG 3.32Å; F152-Q460 VanDerWaalsContact CZ-NE2 3.27Å
153	V	44.5	Very low	37.7	Very low	23 Å²	23	90.1 Å²	90.1	14%	0.139	48%	0.481	C	S	.	.	H	α-helix	trans	-65.9	-47.5	172.7	180	0	0	0	0	110.2	A149 Q155 M156 D157	A149-V153 PolarHBondContact O-N 3.47Å; V153-Q155 PolarHBondContact O-N 2.88Å; V153-M156 PolarHBondContact O-N 3.34Å; V153-D157 PolarHBondContact O-N 3.05Å
154	K	45.1	Very low	38	Very low	137 Å²	137	89.1 Å²	89.1	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-64.3	-38.1	172	-92.2	-178.4	169.2	174.3	0	113.7	K150 M156 D157 D158	K150-K154 WeakPolarHBondContact O-CB 3.36Å; K154-M156 PolarHBondContact O-N 3.32Å; K154-D157 PolarHBondContact O-N 3.3Å; K154-D158 WeakPolarHBondContact CB-OD2 3.2Å; K154-D158 WeakPolarHBondContact O-CA 3.36Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 3.1Å
155	Q	44	Very low	37.8	Very low	103 Å²	103	92.7 Å²	92.7	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-24.9	177.8	-82	175.4	29.8	0	0	113.1	G151 F152 V153 K159	G151-Q155 WeakPolarHBondContact O-CA 3.48Å; G151-Q155 WeakPolarHBondContact O-CB 3.31Å; G151-Q155 WeakPolarHBondContact O-CG 3.49Å; G151-Q155 PolarHBondContact O-N 3.41Å; F152-Q155 PolarHBondContact O-N 3.43Å; V153-Q155 PolarHBondContact O-N 2.88Å; Q155-K159 WeakPolarHBondContact O-CB 3.43Å; Q155-K159 WeakPolarHBondContact O-CD 3.11Å; Q155-K159 VanDerWaalsContact O-CG 3.23Å; Q155-K159 WeakPolarHBondContact O-CG 3.25Å; Q155-K159 PolarHBondContact O-N 3.24Å
156	M	39.7	Very low	37.5	Very low	84 Å²	84	96.3 Å²	96.3	41%	0.414	51%	0.513	S	S	.	.	H	α-helix	trans	-76.7	-38.5	173.5	-78.5	-171.6	153.6	0	0	112.2	F152 V153 K154	F152-M156 HydrophobicContact CD1-SD 4.31Å; F152-M156 HydrophobicContact CE1-CE 3.66Å; F152-M156 HydrophobicContact CE1-CG 4.37Å; F152-M156 HydrophobicContact CE1-SD 3.9Å; F152-M156 HydrophobicContact CZ-CE 4.19Å; F152-M156 PolarHBondContact O-N 3.4Å; F152-M156 VanDerWaalsContact O-N 3.07Å; V153-M156 PolarHBondContact O-N 3.34Å; K154-M156 PolarHBondContact O-N 3.32Å
157	D	42	Very low	37.5	Very low	75 Å²	75	101.5 Å²	101.5	40%	0.401	53%	0.53	S	S	.	.	H	α-helix	trans	-79.5	-39.4	176.8	-74.4	-31	0	0	0	113.2	V153 K154 A160 K161	V153-D157 PolarHBondContact O-N 3.05Å; K154-D157 PolarHBondContact O-N 3.3Å; D157-A160 PolarHBondContact O-N 3.48Å; D157-K161 PolarHBondContact O-N 2.96Å
158	D	43.1	Very low	37.4	Very low	85 Å²	85	107.5 Å²	107.5	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-76.8	-29.1	-177.5	-65.9	-28.7	0	0	0	112.1	K154 A160 K161 S162	K154-D158 WeakPolarHBondContact CB-OD2 3.2Å; K154-D158 WeakPolarHBondContact O-CA 3.36Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 PolarHBondContact O-N 3.1Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 2.93Å; D158-K161 PolarHBondContact O-N 3.15Å; D158-S162 WeakPolarHBondContact O-CB 3.39Å; D158-S162 PolarHBondContact O-N 3.38Å
159	K	41.1	Very low	36.9	Very low	171 Å²	171	110.4 Å²	110.4	74%	0.743	56%	0.555	S	S	*	*	H	α-helix	trans	-74.2	-18.3	171.8	-77.3	177.5	175.3	168.4	0	113.1	Q155	Q155-K159 WeakPolarHBondContact O-CB 3.43Å; Q155-K159 WeakPolarHBondContact O-CD 3.11Å; Q155-K159 VanDerWaalsContact O-CG 3.23Å; Q155-K159 WeakPolarHBondContact O-CG 3.25Å; Q155-K159 PolarHBondContact O-N 3.24Å
160	A	37.5	Very low	36.5	Very low	86 Å²	86	119.1 Å²	119.1	71%	0.711	59%	0.589	S	S	*	*	H	α-helix	trans	-86.6	-25.1	172	0	0	0	0	0	112.9	D157 D158	D157-A160 PolarHBondContact O-N 3.48Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 2.93Å
161	K	37.4	Very low	35.9	Very low	167 Å²	167	125.5 Å²	125.5	73%	0.726	62%	0.617	S	S	*	*	H	α-helix	trans	-114.3	-15.9	-171.8	-71	178.7	179.3	172.9	0	116.3	D157 D158	D157-K161 PolarHBondContact O-N 2.96Å; D158-K161 PolarHBondContact O-N 3.15Å
162	S	33.3	Very low	35.6	Very low	80 Å²	80	131.4 Å²	131.4	56%	0.559	65%	0.649	S	S	*	*			trans	-118.7	68	-172.4	-161.2	0	0	0	0	113.9	D158 Q164	D158-S162 WeakPolarHBondContact O-CB 3.39Å; D158-S162 PolarHBondContact O-N 3.38Å; S162-Q164 VanDerWaalsContact C-N 3.27Å
163	R	33.8	Very low	35	Very low	245 Å²	245	135.6 Å²	135.6	93%	0.925	68%	0.679	S	S	*	*	S	Bend	trans	-86.1	70.7	141.8	-77.8	-179.8	175.1	173.6	-0.8	107.6
164	Q	35.5	Very low	34.3	Very low	160 Å²	160	138.4 Å²	138.4	75%	0.748	71%	0.712	S	S	*	*	S	Bend	trans	174.9	122.1	156.5	-100.1	160.8	41.5	0	0	111.7	S162	S162-Q164 VanDerWaalsContact C-N 3.27Å
165	I	32.1	Very low	33.5	Very low	154 Å²	154	139.3 Å²	139.3	79%	0.79	72%	0.723	S	S	*	*			trans	87.1	114.9	142.8	-56.5	163.6	0	0	0	118
166	T	26.3	Very low	33.1	Very low	113 Å²	113	139.1 Å²	139.1	69%	0.693	73%	0.731	S	S	*	*			trans	-75	154.7	174.8	33.4	0	0	0	0	115.8
167	Q	31.6	Very low	32.5	Very low	172 Å²	172	140 Å²	140	80%	0.804	75%	0.745	S	S	*	*			trans	73.9	117.3	146.4	-72.2	172.1	19.7	0	0	119.6
168	K	31.8	Very low	31.9	Very low	206 Å²	206	143.4 Å²	143.4	90%	0.896	77%	0.769	S	S	*	*				-171.6	141.8	110	-100.3	166.8	-173	176.7	0	113.8
169	S	26.8	Very low	31.3	Very low	100 Å²	100	143 Å²	143	70%	0.699	79%	0.785	S	S	*	*			trans	-67.7	159	177.3	58.3	0	0	0	0	115.2
170	K	30.2	Very low	30.6	Very low	203 Å²	203	143.4 Å²	143.4	88%	0.883	80%	0.795	S	S	*	*				-175.1	131.8	118.3	-102	168.4	-176.8	-176	0	113.5
171	K	25.6	Very low	30.3	Very low	206 Å²	206	142.5 Å²	142.5	90%	0.896	80%	0.795	S	S	*	*			trans	-74.5	144	162.3	-83.3	175.3	170	177.7	0	109.6
172	V	28.1	Very low	30	Very low	142 Å²	142	142.6 Å²	142.6	86%	0.861	80%	0.803	S	S	*	*			trans	-134.8	127.8	157	177.4	0	0	0	0	108.4
173	T	26.6	Very low	29.8	Very low	136 Å²	136	148 Å²	148	83%	0.834	82%	0.82	S	S	*	*			trans	-87.4	143.4	170.6	44.2	0	0	0	0	110.1
174	G	29.5	Very low	29.7	Very low	81 Å²	81	143.1 Å²	143.1	84%	0.835	81%	0.812	S	S	*	*			trans	-164.8	115.2	167.9	0	0	0	0	0	109.7
175	D	28.1	Very low	29.5	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	82%	0.819	S	S	*	*			trans	-104.7	-179	178	-148.6	20.8	0	0	0	108.1
176	P	34.5	Very low	29.6	Very low	99 Å²	99	146.7 Å²	146.7	64%	0.643	82%	0.821	S	S	*	*				-121.4	-172.7	-93.6	37.1	-20.6	0	0	0	113.5
177	S	27.8	Very low	30.4	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	82%	0.816	S	S	*	*			trans	103.5	116.6	161.5	78.5	0	0	0	0	118.2
178	T	28.8	Very low	31.1	Very low	147 Å²	147	143.3 Å²	143.3	90%	0.902	81%	0.808	S	S	*	*				151.5	128.8	121.2	43.8	0	0	0	0	110
179	G	31.3	Very low	31.8	Very low	77 Å²	77	137 Å²	137	79%	0.794	79%	0.788	S	S	*	*			trans	149.4	74.8	170.8	0	0	0	0	0	113.2
180	D	26.8	Very low	32.9	Very low	178 Å²	178	133.6 Å²	133.6	95%	0.952	76%	0.762	S	S	*	*			trans	-55.7	135.3	160.8	-84.6	-42.7	0	0	0	110.3
181	G	30.1	Very low	34	Very low	68 Å²	68	130.9 Å²	130.9	70%	0.701	76%	0.757	S	S	*	*			trans	176.1	118.3	171.6	0	0	0	0	0	112.6
182	D	32.3	Very low	35.2	Very low	169 Å²	169	127 Å²	127	90%	0.904	75%	0.746	S	S	*	*			trans	87.8	71.8	161.6	-57.4	-16.7	0	0	0	119.3
183	Q	29.2	Very low	36.7	Very low	194 Å²	194	122 Å²	122	91%	0.907	71%	0.714	S	S	*	*			trans	-83.3	105.4	141.8	-73.1	-177.1	-6.2	0	0	109.6
184	D	31.1	Very low	38.3	Very low	142 Å²	142	119.4 Å²	119.4	76%	0.759	70%	0.699	S	S	*	*			trans	-174.2	103.3	145.8	-121.9	-15.5	0	0	0	111.6
185	N	30.5	Very low	40	Very low	169 Å²	169	123 Å²	123	90%	0.904	69%	0.692	S	S	*	*	S	Bend	trans	-168.6	28.4	157.8	-104.8	-23.9	0	0	0	115
186	R	34.3	Very low	41.8	Very low	219 Å²	219	122 Å²	122	83%	0.826	69%	0.687	S	S	*	*			trans	-136.7	66.2	179.5	-67.6	-174.2	-176.9	174.9	0.9	112.5
187	N	43	Very low	43.1	Very low	108 Å²	108	121.4 Å²	121.4	58%	0.578	68%	0.676	S	S	*	*			trans	-151.8	105.1	164.9	-83.2	-46	0	0	0	109.6	P189 K248	N187-P189 WeakPolarHBondContact O-CD 3.28Å; N187-K248 PolarHBondContact OD1-NZ 2.94Å
188	V	46.8	Very low	45.1	Very low	107 Å²	107	117.2 Å²	117.2	65%	0.648	65%	0.647	S	S	*	*			trans	-74.2	122.5	157.2	179.4	0	0	0	0	106.4	I190 L192	V188-I190 PolarHBondContact O-N 3.34Å; V188-L192 HydrophobicContact CG1-CB 4.13Å; V188-L192 HydrophobicContact CG1-CD1 4.15Å
189	P	45.6	Very low	47.3	Very low	73 Å²	73	116.5 Å²	116.5	47%	0.474	63%	0.631	S	S	.	*			trans	-52.6	129.2	174.5	-24.1	28.1	0	0	0	111	N187 N191 L192	N187-P189 WeakPolarHBondContact O-CD 3.28Å; P189-N191 PolarHBondContact O-N 2.97Å; P189-L192 HydrophobicContact CB-CD1 3.96Å; P189-L192 HydrophobicContact CG-CD1 3.81Å; P189-L192 WeakPolarHBondContact O-CB 3.48Å; P189-L192 PolarHBondContact O-N 3.25Å
190	I	50.9	Low	49	Very low	29 Å²	29	114.7 Å²	114.7	15%	0.149	60%	0.603	C	S	.	*	G	3₁₀ helix	trans	-57.9	-24.9	-176.2	-70.9	169.1	0	0	0	112	V188 L192 I193 F202 D244	V188-I190 PolarHBondContact O-N 3.34Å; I190-L192 PolarHBondContact O-N 3.31Å; I190-L192 VanDerWaalsContact O-N 3.16Å; I190-I193 HydrophobicContact CB-CD1 4.38Å; I190-I193 HydrophobicContact CG1-CD1 4.25Å; I190-I193 HydrophobicContact CG2-CD1 4.44Å; I190-I193 VanDerWaalsContact O-CB 3.25Å; I190-I193 WeakPolarHBondContact O-CB 3.45Å; I190-I193 WeakPolarHBondContact O-CG1 3.46Å; I190-I193 PolarHBondContact O-N 3.18Å; I190-F202 HydrophobicContact CG2-CZ 4.36Å; I190-D244 HydrophobicContact CD1-CB 3.58Å; I190-D244 WeakPolarHBondContact CD1-OD1 3.26Å
191	N	53.8	Low	51	Low	146 Å²	146	106.8 Å²	106.8	78%	0.781	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-64.2	-17	176.4	-46.6	-0.1	0	0	0	113.4	P189	P189-N191 PolarHBondContact O-N 2.97Å
192	L	50	Low	53.1	Low	125 Å²	125	104 Å²	104	65%	0.654	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-91.1	-2.6	177	-70.3	155	0	0	0	112.9	V188 P189 I190	V188-L192 HydrophobicContact CG1-CB 4.13Å; V188-L192 HydrophobicContact CG1-CD1 4.15Å; P189-L192 HydrophobicContact CB-CD1 3.96Å; P189-L192 HydrophobicContact CG-CD1 3.81Å; P189-L192 WeakPolarHBondContact O-CB 3.48Å; P189-L192 PolarHBondContact O-N 3.25Å; I190-L192 PolarHBondContact O-N 3.31Å; I190-L192 VanDerWaalsContact O-N 3.16Å
193	I	58.6	Low	55.1	Low	36 Å²	36	97.4 Å²	97.4	19%	0.185	50%	0.501	C	S	.	.	S	Bend	trans	-84.8	125	-176.5	-58.8	-178.4	0	0	0	108.8	I190 K195 M197 M201	I190-I193 HydrophobicContact CB-CD1 4.38Å; I190-I193 HydrophobicContact CG1-CD1 4.25Å; I190-I193 HydrophobicContact CG2-CD1 4.44Å; I190-I193 VanDerWaalsContact O-CB 3.25Å; I190-I193 WeakPolarHBondContact O-CB 3.45Å; I190-I193 WeakPolarHBondContact O-CG1 3.46Å; I190-I193 PolarHBondContact O-N 3.18Å; I193-K195 PolarHBondContact O-N 3.06Å; I193-M197 HydrophobicContact CG2-CB 3.59Å; I193-M197 HydrophobicContact CG2-CG 3.56Å; I193-M197 HydrophobicContact CG2-SD 3.72Å; I193-M201 HydrophobicContact CD1-CE 3.18Å; I193-M201 HydrophobicContact CD1-SD 4.38Å; I193-M201 HydrophobicContact CG1-CE 4.46Å; I193-M201 HydrophobicContact CG2-CE 4.21Å
194	P	61.1	Low	57.5	Low	82 Å²	82	94 Å²	94	53%	0.532	50%	0.495	S	S	.	.			trans	-52.8	139.8	176.9	-26.3	33.7	0	0	0	111.6	N196 M197 S198	P194-N196 PolarHBondContact O-N 2.88Å; P194-M197 HydrophobicContact CB-CB 4.46Å; P194-M197 WeakPolarHBondContact O-CA 3.45Å; P194-M197 WeakPolarHBondContact O-CB 3.36Å; P194-M197 PolarHBondContact O-N 3.42Å; P194-S198 PolarHBondContact O-N 2.9Å
195	K	66.1	Low	59.9	Low	157 Å²	157	90.2 Å²	90.2	68%	0.683	48%	0.475	S	S	*	.	H	α-helix	trans	-48.8	-35.5	-179.7	-74.8	-172.4	175.2	-171.7	0	114	I193 M197 S198 K199	I193-K195 PolarHBondContact O-N 3.06Å; K195-M197 VanDerWaalsContact C-N 3.3Å; K195-M197 PolarHBondContact O-N 3.47Å; K195-S198 WeakPolarHBondContact CA-OG 3.4Å; K195-S198 PolarHBondContact O-N 3.37Å; K195-S198 PolarHBondContact O-OG 3.16Å; K195-K199 PolarHBondContact O-N 3.22Å; K195-K199 VanDerWaalsContact O-N 3.13Å
196	N	64.2	Low	62.4	Low	135 Å²	135	83.8 Å²	83.8	72%	0.722	44%	0.438	S	S	*	.	H	α-helix	trans	-67.2	-33	177.6	-65.7	-11.1	0	0	0	112.3	P194 I200	P194-N196 PolarHBondContact O-N 2.88Å; N196-I200 WeakPolarHBondContact O-CD1 3.11Å; N196-I200 WeakPolarHBondContact O-CG1 3.2Å
197	M	63.6	Low	64.7	Low	85 Å²	85	77.5 Å²	77.5	42%	0.419	42%	0.424	S	S	.	.	H	α-helix	trans	-79.9	-38.5	177.5	-175.2	179.5	-92.7	0	0	110.9	I193 P194 K195 K199 I200 M201	I193-M197 HydrophobicContact CG2-CB 3.59Å; I193-M197 HydrophobicContact CG2-CG 3.56Å; I193-M197 HydrophobicContact CG2-SD 3.72Å; P194-M197 HydrophobicContact CB-CB 4.46Å; P194-M197 WeakPolarHBondContact O-CA 3.45Å; P194-M197 WeakPolarHBondContact O-CB 3.36Å; P194-M197 PolarHBondContact O-N 3.42Å; K195-M197 VanDerWaalsContact C-N 3.3Å; K195-M197 PolarHBondContact O-N 3.47Å; M197-K199 VanDerWaalsContact C-N 3.32Å; M197-K199 PolarHBondContact O-N 3.05Å; M197-I200 PolarHBondContact O-N 3.26Å; M197-I200 VanDerWaalsContact O-N 3.11Å; M197-M201 HydrophobicContact CG-CG 4.36Å; M197-M201 WeakPolarHBondContact O-CG 3.25Å; M197-M201 PolarHBondContact O-N 3.43Å
198	S	68.2	Low	66.8	Low	15 Å²	15	76.1 Å²	76.1	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-60.5	-40.6	173.9	61.5	0	0	0	0	112	P194 K195 I200 M201 F202 Y206	P194-S198 PolarHBondContact O-N 2.9Å; K195-S198 WeakPolarHBondContact CA-OG 3.4Å; K195-S198 PolarHBondContact O-N 3.37Å; K195-S198 PolarHBondContact O-OG 3.16Å; S198-I200 VanDerWaalsContact C-N 3.27Å; S198-I200 PolarHBondContact O-N 2.83Å; S198-M201 PolarHBondContact O-N 3.36Å; S198-M201 VanDerWaalsContact O-N 3.14Å; S198-F202 WeakPolarHBondContact O-CD2 3.48Å; S198-F202 PolarHBondContact O-N 3.29Å; S198-Y206 WeakPolarHBondContact OG-CE2 3.39Å
199	K	74.9	Confident	68.8	Low	132 Å²	132	71.5 Å²	71.5	57%	0.574	39%	0.388	S	S	*	.	H	α-helix	trans	-56.7	-38.5	173.3	-167.8	172.8	-176.3	174	0	113.5	K195 M197 G203 Y206	K195-K199 PolarHBondContact O-N 3.22Å; K195-K199 VanDerWaalsContact O-N 3.13Å; M197-K199 VanDerWaalsContact C-N 3.32Å; M197-K199 PolarHBondContact O-N 3.05Å; K199-G203 PolarHBondContact O-N 3.03Å; K199-G203 VanDerWaalsContact O-N 3.07Å; K199-Y206 VanDerWaalsContact CA-CD2 3.4Å; K199-Y206 HydrophobicContact CB-CD2 4.05Å; K199-Y206 HydrophobicContact CB-CE2 4.15Å; K199-Y206 HydrophobicContact CB-CG 4.22Å; K199-Y206 HydrophobicContact CG-CD1 4.12Å; K199-Y206 HydrophobicContact CG-CD2 4.44Å; K199-Y206 HydrophobicContact CG-CE1 4.49Å; K199-Y206 HydrophobicContact CG-CG 4.1Å
200	I	68.5	Low	70.7	Confident	39 Å²	39	72.5 Å²	72.5	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-77.9	-32.6	179.2	-62.5	171.7	0	0	0	111.5	N196 M197 S198 V256 M260	N196-I200 WeakPolarHBondContact O-CD1 3.11Å; N196-I200 WeakPolarHBondContact O-CG1 3.2Å; M197-I200 PolarHBondContact O-N 3.26Å; M197-I200 VanDerWaalsContact O-N 3.11Å; S198-I200 VanDerWaalsContact C-N 3.27Å; S198-I200 PolarHBondContact O-N 2.83Å; I200-V256 HydrophobicContact CG2-CG1 3.84Å; I200-M260 HydrophobicContact CD1-CE 3.22Å; I200-M260 HydrophobicContact CD1-CG 4.29Å; I200-M260 HydrophobicContact CG2-CG 4.34Å
201	M	68.6	Low	72.5	Confident	12 Å²	12	78.4 Å²	78.4	6%	0.059	41%	0.408	C	S	.	.	H	α-helix	trans	-70.6	-46.1	179.5	-68.2	-137.9	-58.8	0	0	112.5	I193 M197 S198 H251 V256 R259	I193-M201 HydrophobicContact CD1-CE 3.18Å; I193-M201 HydrophobicContact CD1-SD 4.38Å; I193-M201 HydrophobicContact CG1-CE 4.46Å; I193-M201 HydrophobicContact CG2-CE 4.21Å; M197-M201 HydrophobicContact CG-CG 4.36Å; M197-M201 WeakPolarHBondContact O-CG 3.25Å; M197-M201 PolarHBondContact O-N 3.43Å; S198-M201 PolarHBondContact O-N 3.36Å; S198-M201 VanDerWaalsContact O-N 3.14Å; M201-H251 PolarHBondContact SD-ND1 2.95Å; M201-V256 HydrophobicContact CG-CG2 4.29Å; M201-R259 PolarHBondContact O-NH1 2.86Å
202	F	73.3	Confident	74.3	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.048	38%	0.378	C	S	.	.	H	α-helix	trans	-83.4	-21.6	-179.9	-63.9	-68.1	0	0	0	112.9	I190 S198 L205 Y206 H209 L243	I190-F202 HydrophobicContact CG2-CZ 4.36Å; S198-F202 WeakPolarHBondContact O-CD2 3.48Å; S198-F202 PolarHBondContact O-N 3.29Å; F202-L205 HydrophobicContact CB-CB 4.49Å; F202-L205 WeakPolarHBondContact O-CB 3.1Å; F202-L205 PolarHBondContact O-N 2.94Å; F202-Y206 HydrophobicContact CD2-CD2 4.2Å; F202-H209 HydrophobicContact CD2-CB 4.38Å; F202-H209 AromaticContact CE1-CD2 3.65Å; F202-H209 HydrophobicContact CE2-CB 4.46Å; F202-H209 AromaticContact CE2-CD2 3.7Å; F202-H209 AromaticContact CE2-CG 3.83Å; F202-H209 AromaticContact CE2-NE2 3.83Å; F202-H209 HydrophobicContact CG-CB 4.43Å; F202-H209 AromaticContact CZ-CD2 3.26Å; F202-H209 WeakPolarHBondContact CZ-CD2 3.48Å; F202-H209 AromaticContact CZ-CG 3.86Å; F202-H209 AromaticContact CZ-NE2 3.48Å; F202-H209 WeakPolarHBondContact CZ-NE2 3.41Å; F202-L243 HydrophobicContact CD1-CB 4.4Å; F202-L243 HydrophobicContact CE1-CB 4.06Å
203	G	75.2	Confident	76	Confident	30 Å²	30	70.1 Å²	70.1	31%	0.309	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	56.8	-126	178.5	0	0	0	0	0	111.3	K199 L205 Y206	K199-G203 PolarHBondContact O-N 3.03Å; K199-G203 VanDerWaalsContact O-N 3.07Å; G203-L205 PolarHBondContact O-N 3.36Å; G203-Y206 WeakPolarHBondContact O-CB 3.41Å; G203-Y206 PolarHBondContact O-N 3.29Å
204	P	78.8	Confident	77.3	Confident	121 Å²	121	72.4 Å²	72.4	79%	0.786	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.2	175.2	-21.3	32.3	0	0	0	114.3	Y206 T207	P204-Y206 VanDerWaalsContact C-N 3.27Å; P204-Y206 PolarHBondContact O-N 3.01Å; P204-T207 PolarHBondContact O-OG1 3.42Å
205	L	81.4	Confident	78.6	Confident	64 Å²	64	70 Å²	70	34%	0.335	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-83.5	-1.6	-177.5	-59.4	168.2	0	0	0	113	F202 G203 T207 D208 H209 L243	F202-L205 HydrophobicContact CB-CB 4.49Å; F202-L205 WeakPolarHBondContact O-CB 3.1Å; F202-L205 PolarHBondContact O-N 2.94Å; G203-L205 PolarHBondContact O-N 3.36Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.91Å; L205-D208 PolarHBondContact O-N 3.14Å; L205-H209 PolarHBondContact O-N 3.01Å; L205-H209 VanDerWaalsContact O-N 3.12Å; L205-L243 HydrophobicContact CB-CD2 3.87Å; L205-L243 HydrophobicContact CD1-CD2 3.97Å; L205-L243 HydrophobicContact CD2-CD2 4.37Å; L205-L243 HydrophobicContact CG-CD2 4.29Å
206	Y	82.9	Confident	79.5	Confident	34 Å²	34	64.4 Å²	64.4	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-38.8	-180	175.2	-98.4	0	0	0	112.1	S198 K199 F202 G203 P204 D208 H209 E210	S198-Y206 WeakPolarHBondContact OG-CE2 3.39Å; K199-Y206 VanDerWaalsContact CA-CD2 3.4Å; K199-Y206 HydrophobicContact CB-CD2 4.05Å; K199-Y206 HydrophobicContact CB-CE2 4.15Å; K199-Y206 HydrophobicContact CB-CG 4.22Å; K199-Y206 HydrophobicContact CG-CD1 4.12Å; K199-Y206 HydrophobicContact CG-CD2 4.44Å; K199-Y206 HydrophobicContact CG-CE1 4.49Å; K199-Y206 HydrophobicContact CG-CG 4.1Å; F202-Y206 HydrophobicContact CD2-CD2 4.2Å; G203-Y206 WeakPolarHBondContact O-CB 3.41Å; G203-Y206 PolarHBondContact O-N 3.29Å; P204-Y206 VanDerWaalsContact C-N 3.27Å; P204-Y206 PolarHBondContact O-N 3.01Å; Y206-D208 VanDerWaalsContact C-N 3.26Å; Y206-D208 PolarHBondContact O-N 2.71Å; Y206-H209 PolarHBondContact O-N 3.39Å; Y206-E210 WeakPolarHBondContact CE1-OE2 3.36Å; Y206-E210 WeakPolarHBondContact O-CB 3.27Å; Y206-E210 PolarHBondContact O-N 3.03Å
207	T	84.1	Confident	80.4	Confident	87 Å²	87	63 Å²	63	53%	0.534	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-36.4	178.6	49.4	0	0	0	0	112	P204 L205 Y211	P204-T207 PolarHBondContact O-OG1 3.42Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.91Å; T207-Y211 VanDerWaalsContact O-CB 3.3Å; T207-Y211 WeakPolarHBondContact O-CB 3.49Å; T207-Y211 PolarHBondContact O-N 2.78Å
208	D	87.1	Confident	81.3	Confident	78 Å²	78	62.1 Å²	62.1	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-74.3	-41.3	-178.8	-54.4	-19.6	0	0	0	110	L205 Y206 Y211 L212 L243	L205-D208 PolarHBondContact O-N 3.14Å; Y206-D208 VanDerWaalsContact C-N 3.26Å; Y206-D208 PolarHBondContact O-N 2.71Å; D208-Y211 PolarHBondContact O-N 3.09Å; D208-L212 VanDerWaalsContact O-CG 3.24Å; D208-L212 WeakPolarHBondContact O-CG 3.36Å; D208-L212 PolarHBondContact O-N 3.1Å; D208-L243 HydrophobicContact CB-CD1 4.41Å
209	H	87.7	Confident	81.7	Confident	11 Å²	11	62.4 Å²	62.4	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-47.8	173.2	-175.8	-80.7	0	0	0	111.7	F202 L205 Y206 Y211 L212 E213 L243 D244	F202-H209 HydrophobicContact CD2-CB 4.38Å; F202-H209 AromaticContact CE1-CD2 3.65Å; F202-H209 HydrophobicContact CE2-CB 4.46Å; F202-H209 AromaticContact CE2-CD2 3.7Å; F202-H209 AromaticContact CE2-CG 3.83Å; F202-H209 AromaticContact CE2-NE2 3.83Å; F202-H209 HydrophobicContact CG-CB 4.43Å; F202-H209 AromaticContact CZ-CD2 3.26Å; F202-H209 WeakPolarHBondContact CZ-CD2 3.48Å; F202-H209 AromaticContact CZ-CG 3.86Å; F202-H209 AromaticContact CZ-NE2 3.48Å; F202-H209 WeakPolarHBondContact CZ-NE2 3.41Å; L205-H209 PolarHBondContact O-N 3.01Å; L205-H209 VanDerWaalsContact O-N 3.12Å; Y206-H209 PolarHBondContact O-N 3.39Å; H209-Y211 VanDerWaalsContact C-N 3.35Å; H209-Y211 PolarHBondContact O-N 3.24Å; H209-L212 PolarHBondContact O-N 3.48Å; H209-E213 IonicContact CE1-OE1 3.88Å; H209-E213 PolarHBondContact CE1-OE1 3.18Å; H209-E213 IonicContact ND1-OE1 3.33Å; H209-E213 PolarHBondContact O-N 3.11Å; H209-L243 HydrophobicContact CB-CD1 3.88Å; H209-D244 IonicContact NE2-OD1 2.6Å
210	E	85.8	Confident	81.6	Confident	94 Å²	94	60.7 Å²	60.7	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-40.5	178.4	-174.2	169.4	-139.8	0	0	111.9	Y206 E214	Y206-E210 WeakPolarHBondContact CE1-OE2 3.36Å; Y206-E210 WeakPolarHBondContact O-CB 3.27Å; Y206-E210 PolarHBondContact O-N 3.03Å; E210-E214 VanDerWaalsContact O-CB 3.32Å; E210-E214 WeakPolarHBondContact O-CB 3.37Å; E210-E214 PolarHBondContact O-N 3.15Å
211	Y	89.5	Confident	82	Confident	153 Å²	153	61.5 Å²	61.5	60%	0.6	33%	0.331	S	S	*	.	H	α-helix	trans	-61.7	-46.7	175.1	175.5	-97.5	0	0	0	112.4	T207 D208 H209 E214 L215	T207-Y211 VanDerWaalsContact O-CB 3.3Å; T207-Y211 WeakPolarHBondContact O-CB 3.49Å; T207-Y211 PolarHBondContact O-N 2.78Å; D208-Y211 PolarHBondContact O-N 3.09Å; H209-Y211 VanDerWaalsContact C-N 3.35Å; H209-Y211 PolarHBondContact O-N 3.24Å; Y211-E214 PolarHBondContact O-N 2.98Å; Y211-L215 HydrophobicContact CE1-CD2 4.46Å; Y211-L215 WeakPolarHBondContact O-CB 3.21Å; Y211-L215 PolarHBondContact O-N 3.49Å
212	L	89.7	Confident	82.1	Confident	30 Å²	30	67.7 Å²	67.7	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-68.4	-38.9	-179.2	-65.4	169.1	0	0	0	112.1	D208 H209 L215 L216 A236 I240 L243	D208-L212 VanDerWaalsContact O-CG 3.24Å; D208-L212 WeakPolarHBondContact O-CG 3.36Å; D208-L212 PolarHBondContact O-N 3.1Å; H209-L212 PolarHBondContact O-N 3.48Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-L216 WeakPolarHBondContact O-CG 3.06Å; L212-L216 PolarHBondContact O-N 3.3Å; L212-L216 VanDerWaalsContact O-N 3.09Å; L212-A236 HydrophobicContact CD2-CB 4.19Å; L212-I240 HydrophobicContact CB-CD1 4.04Å; L212-I240 HydrophobicContact CB-CG1 3.73Å; L212-I240 HydrophobicContact CD1-CG1 4.26Å; L212-L243 HydrophobicContact CD1-CD1 4.06Å
213	E	86.6	Confident	81.7	Confident	66 Å²	66	74.4 Å²	74.4	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-44.7	172.3	-84.5	-159.8	175.6	0	0	112.1	H209 L215 L216 K217 I240	H209-E213 IonicContact CE1-OE1 3.88Å; H209-E213 PolarHBondContact CE1-OE1 3.18Å; H209-E213 IonicContact ND1-OE1 3.33Å; H209-E213 PolarHBondContact O-N 3.11Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L216 PolarHBondContact O-N 3.4Å; E213-K217 WeakPolarHBondContact O-CG 3.16Å; E213-K217 PolarHBondContact O-N 3.5Å; E213-K217 IonicContact OE2-NZ 2.8Å; E213-K217 PolarHBondContact OE2-NZ 3.26Å; E213-K217 VanDerWaalsContact OE2-NZ 3.11Å; E213-I240 HydrophobicContact CG-CD1 4.31Å
214	E	86.5	Confident	81.3	Confident	84 Å²	84	75.7 Å²	75.7	39%	0.393	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-37.8	179.9	-174.2	56.9	-151.1	0	0	111.1	E210 Y211 L216 K217 Q218	E210-E214 VanDerWaalsContact O-CB 3.32Å; E210-E214 WeakPolarHBondContact O-CB 3.37Å; E210-E214 PolarHBondContact O-N 3.15Å; Y211-E214 PolarHBondContact O-N 2.98Å; E214-L216 PolarHBondContact O-N 3.32Å; E214-K217 PolarHBondContact O-N 2.98Å; E214-Q218 WeakPolarHBondContact O-CB 3.33Å; E214-Q218 VanDerWaalsContact O-CG 3.27Å; E214-Q218 WeakPolarHBondContact O-CG 3.48Å; E214-Q218 PolarHBondContact O-N 2.99Å; E214-Q218 PolarHBondContact OE1-NE2 3.12Å
215	L	87.1	Confident	80.6	Confident	31 Å²	31	78 Å²	78	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-46	173.5	-174.8	67.5	0	0	0	111.5	Y211 L212 E213 Q218 E219 W224 V232 A236	Y211-L215 HydrophobicContact CE1-CD2 4.46Å; Y211-L215 WeakPolarHBondContact O-CB 3.21Å; Y211-L215 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 3.24Å; E213-L215 VanDerWaalsContact C-N 3.33Å; L215-Q218 PolarHBondContact O-N 2.86Å; L215-E219 PolarHBondContact O-N 3.03Å; L215-E219 VanDerWaalsContact O-N 3.07Å; L215-W224 HydrophobicContact CD1-CZ2 3.81Å; L215-W224 HydrophobicContact CG-CZ2 4.2Å; L215-V232 HydrophobicContact CD2-CG1 4.02Å; L215-A236 HydrophobicContact CD2-CB 4.17Å
216	L	85.5	Confident	80.1	Confident	40 Å²	40	78.6 Å²	78.6	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-66.8	-36	175.9	-71.8	176.8	0	0	0	112.6	L212 E213 E214 E219 S220 R233 A236 R237 I240	L212-L216 WeakPolarHBondContact O-CG 3.06Å; L212-L216 PolarHBondContact O-N 3.3Å; L212-L216 VanDerWaalsContact O-N 3.09Å; E213-L216 PolarHBondContact O-N 3.4Å; E214-L216 PolarHBondContact O-N 3.32Å; L216-E219 PolarHBondContact O-N 2.94Å; L216-S220 WeakPolarHBondContact O-CB 3.43Å; L216-S220 PolarHBondContact O-N 3.3Å; L216-S220 PolarHBondContact O-OG 2.94Å; L216-R233 HydrophobicContact CD2-CG 3.81Å; L216-A236 HydrophobicContact CD2-CB 3.94Å; L216-A236 HydrophobicContact CG-CB 4.05Å; L216-R237 HydrophobicContact CD1-CG 4.25Å; L216-R237 HydrophobicContact CD2-CG 4.42Å; L216-I240 HydrophobicContact CD1-CD1 3.45Å; L216-I240 VanDerWaalsContact CD1-CD1 3.45Å
217	K	83.8	Confident	79.8	Confident	105 Å²	105	84.8 Å²	84.8	46%	0.457	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-44	174.1	-75.1	168.8	-170.5	151.8	0	111.6	E213 E214 E219 S220 A221	E213-K217 WeakPolarHBondContact O-CG 3.16Å; E213-K217 PolarHBondContact O-N 3.5Å; E213-K217 IonicContact OE2-NZ 2.8Å; E213-K217 PolarHBondContact OE2-NZ 3.26Å; E213-K217 VanDerWaalsContact OE2-NZ 3.11Å; E214-K217 PolarHBondContact O-N 2.98Å; K217-E219 VanDerWaalsContact C-N 3.3Å; K217-E219 PolarHBondContact O-N 3.46Å; K217-S220 WeakPolarHBondContact CA-OG 3.25Å; K217-S220 PolarHBondContact O-N 3.22Å; K217-S220 PolarHBondContact O-OG 2.95Å; K217-A221 WeakPolarHBondContact O-CB 3.35Å; K217-A221 PolarHBondContact O-N 3.49Å
218	Q	82.8	Confident	79.4	Confident	67 Å²	67	85.5 Å²	85.5	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-35.6	178.3	-71	178.2	6.1	0	0	112.5	E214 L215 A221 Q222 K223	E214-Q218 WeakPolarHBondContact O-CB 3.33Å; E214-Q218 VanDerWaalsContact O-CG 3.27Å; E214-Q218 WeakPolarHBondContact O-CG 3.48Å; E214-Q218 PolarHBondContact O-N 2.99Å; E214-Q218 PolarHBondContact OE1-NE2 3.12Å; L215-Q218 PolarHBondContact O-N 2.86Å; Q218-A221 CarbonylContact O-C 3.48Å; Q218-A221 PolarHBondContact O-N 3.02Å; Q218-Q222 PolarHBondContact O-N 2.92Å; Q218-K223 HydrophobicContact CB-CD 4.39Å; Q218-K223 HydrophobicContact CG-CD 4.25Å; Q218-K223 WeakPolarHBondContact O-CB 3.4Å; Q218-K223 PolarHBondContact O-N 2.89Å; Q218-K223 VanDerWaalsContact O-N 3.08Å
219	E	75.2	Confident	79	Confident	21 Å²	21	83.1 Å²	83.1	10%	0.098	41%	0.408	C	S	.	.	H	α-helix	trans	-68	-45.1	173.3	-163.4	-166.6	-177.5	0	0	111.9	L215 L216 K217 A221 Q222 W224 R233	L215-E219 PolarHBondContact O-N 3.03Å; L215-E219 VanDerWaalsContact O-N 3.07Å; L216-E219 PolarHBondContact O-N 2.94Å; K217-E219 VanDerWaalsContact C-N 3.3Å; K217-E219 PolarHBondContact O-N 3.46Å; E219-A221 PolarHBondContact O-N 3.09Å; E219-Q222 WeakPolarHBondContact O-CA 3.44Å; E219-Q222 PolarHBondContact O-N 2.93Å; E219-W224 HydrophobicContact CB-CH2 4.44Å; E219-W224 HydrophobicContact CB-CZ2 3.69Å; E219-W224 HydrophobicContact CG-CH2 4.17Å; E219-W224 HydrophobicContact CG-CZ2 3.88Å; E219-R233 IonicContact OE1-CZ 3.3Å; E219-R233 IonicContact OE1-NE 2.84Å; E219-R233 PolarHBondContact OE1-NE 3.04Å; E219-R233 IonicContact OE1-NH2 3.09Å; E219-R233 PolarHBondContact OE1-NH2 3.04Å; E219-R233 WeakPolarHBondContact OE2-CB 3.05Å; E219-R233 WeakPolarHBondContact OE2-CG 3.39Å; E219-R233 IonicContact OE2-NE 2.6Å; E219-R233 PolarHBondContact OE2-NE 3.17Å
220	S	73.2	Confident	78.6	Confident	96 Å²	96	86.9 Å²	86.9	67%	0.671	43%	0.426	S	S	*	.	H	α-helix	trans	-61.3	-30.1	176	74.3	0	0	0	0	112.3	L216 K217 Q222	L216-S220 WeakPolarHBondContact O-CB 3.43Å; L216-S220 PolarHBondContact O-N 3.3Å; L216-S220 PolarHBondContact O-OG 2.94Å; K217-S220 WeakPolarHBondContact CA-OG 3.25Å; K217-S220 PolarHBondContact O-N 3.22Å; K217-S220 PolarHBondContact O-OG 2.95Å; S220-Q222 PolarHBondContact O-N 3.47Å
221	A	77	Confident	78.5	Confident	57 Å²	57	88 Å²	88	47%	0.471	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.3	172.7	0	0	0	0	0	113.7	K217 Q218 E219 K223	K217-A221 WeakPolarHBondContact O-CB 3.35Å; K217-A221 PolarHBondContact O-N 3.49Å; Q218-A221 CarbonylContact O-C 3.48Å; Q218-A221 PolarHBondContact O-N 3.02Å; E219-A221 PolarHBondContact O-N 3.09Å; A221-K223 HydrophobicContact CB-CD 4.44Å; A221-K223 HydrophobicContact CB-CG 4.13Å; A221-K223 PolarHBondContact O-N 3.34Å
222	Q	70.2	Confident	78.2	Confident	141 Å²	141	83 Å²	83	66%	0.659	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	28	179.4	-79.4	154.3	-19.2	0	0	114.6	Q218 E219 S220 W224	Q218-Q222 PolarHBondContact O-N 2.92Å; E219-Q222 WeakPolarHBondContact O-CA 3.44Å; E219-Q222 PolarHBondContact O-N 2.93Å; S220-Q222 PolarHBondContact O-N 3.47Å; Q222-W224 PolarHBondContact O-N 3.47Å
223	K	66.5	Low	78	Confident	152 Å²	152	84.2 Å²	84.2	66%	0.661	42%	0.419	S	S	*	.	S	Bend	trans	-68.6	-19.8	-179.8	-72.6	-178.9	176.5	177.1	0	113.2	Q218 A221	Q218-K223 HydrophobicContact CB-CD 4.39Å; Q218-K223 HydrophobicContact CG-CD 4.25Å; Q218-K223 WeakPolarHBondContact O-CB 3.4Å; Q218-K223 PolarHBondContact O-N 2.89Å; Q218-K223 VanDerWaalsContact O-N 3.08Å; A221-K223 HydrophobicContact CB-CD 4.44Å; A221-K223 HydrophobicContact CB-CG 4.13Å; A221-K223 PolarHBondContact O-N 3.34Å
224	W	65.2	Low	77.9	Confident	57 Å²	57	84.3 Å²	84.3	22%	0.216	42%	0.422	C	S	.	.			trans	-146.8	138.9	176.9	55.8	-83.1	0	0	0	109.8	L215 E219 Q222 T226 V232	L215-W224 HydrophobicContact CD1-CZ2 3.81Å; L215-W224 HydrophobicContact CG-CZ2 4.2Å; E219-W224 HydrophobicContact CB-CH2 4.44Å; E219-W224 HydrophobicContact CB-CZ2 3.69Å; E219-W224 HydrophobicContact CG-CH2 4.17Å; E219-W224 HydrophobicContact CG-CZ2 3.88Å; Q222-W224 PolarHBondContact O-N 3.47Å; W224-T226 HydrophobicContact CE3-CG2 4.47Å; W224-V232 HydrophobicContact CH2-CB 4.08Å; W224-V232 HydrophobicContact CH2-CG1 3.64Å; W224-V232 HydrophobicContact CZ2-CG1 4.48Å; W224-V232 HydrophobicContact CZ3-CB 4.43Å; W224-V232 HydrophobicContact CZ3-CG1 4.32Å
225	K	63.8	Low	78	Confident	171 Å²	171	86.3 Å²	86.3	74%	0.743	43%	0.434	S	S	*	.			trans	-133.7	113.4	170.9	-93.3	-176.4	175.3	178.3	0	107.7
226	T	71.8	Confident	78.1	Confident	75 Å²	75	84.9 Å²	84.9	46%	0.46	43%	0.427	S	S	.	.			trans	-119.1	163.2	175.3	57.6	0	0	0	0	109.9	W224 H228 S229	W224-T226 HydrophobicContact CE3-CG2 4.47Å; T226-H228 PolarHBondContact O-N 3.07Å; T226-S229 VanDerWaalsContact O-CB 3.32Å; T226-S229 WeakPolarHBondContact O-CB 3.42Å; T226-S229 PolarHBondContact O-N 3.44Å; T226-S229 VanDerWaalsContact O-N 3.08Å; T226-S229 PolarHBondContact O-OG 2.71Å; T226-S229 PolarHBondContact OG1-N 3.08Å
227	I	75.9	Confident	78.3	Confident	165 Å²	165	88.6 Å²	88.6	85%	0.846	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.8	177	-61.8	167.8	0	0	0	111.1
228	H	77.6	Confident	78.5	Confident	102 Å²	102	88.7 Å²	88.7	47%	0.472	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	17.6	-179	-58.9	-77.5	0	0	0	113.8	T226 E230 E231 V232	T226-H228 PolarHBondContact O-N 3.07Å; H228-E230 VanDerWaalsContact C-N 3.28Å; H228-E230 PolarHBondContact O-N 3.46Å; H228-E231 IonicContact CE1-OE2 3.46Å; H228-E231 IonicContact CG-OE2 3.41Å; H228-E231 IonicContact ND1-OE1 2.97Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact ND1-OE2 3.28Å; H228-E231 PolarHBondContact O-N 2.96Å; H228-E231 VanDerWaalsContact O-N 3.14Å; H228-V232 WeakPolarHBondContact O-CG2 3.43Å; H228-V232 PolarHBondContact O-N 3.27Å
229	S	77.5	Confident	78.8	Confident	27 Å²	27	86.6 Å²	86.6	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-56.1	-39.4	-176.8	47.2	0	0	0	0	113.4	T226 R233	T226-S229 VanDerWaalsContact O-CB 3.32Å; T226-S229 WeakPolarHBondContact O-CB 3.42Å; T226-S229 PolarHBondContact O-N 3.44Å; T226-S229 VanDerWaalsContact O-N 3.08Å; T226-S229 PolarHBondContact O-OG 2.71Å; T226-S229 PolarHBondContact OG1-N 3.08Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 3.35Å
230	E	79.4	Confident	79.3	Confident	91 Å²	91	86.7 Å²	86.7	43%	0.425	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.7	-163	64.2	-135.3	0	0	112.9	H228 R233 N234	H228-E230 VanDerWaalsContact C-N 3.28Å; H228-E230 PolarHBondContact O-N 3.46Å; E230-R233 PolarHBondContact O-N 3.41Å; E230-R233 IonicContact OE1-CZ 3.9Å; E230-R233 IonicContact OE1-NH1 2.67Å; E230-R233 PolarHBondContact OE1-NH1 2.77Å; E230-R233 IonicContact OE2-CZ 3.65Å; E230-R233 VanDerWaalsContact OE2-CZ 3.3Å; E230-R233 IonicContact OE2-NH1 3.4Å; E230-R233 PolarHBondContact OE2-NH1 3.18Å; E230-R233 IonicContact OE2-NH2 3.75Å; E230-R233 PolarHBondContact OE2-NH2 3.44Å; E230-N234 PolarHBondContact O-N 3.22Å; E230-N234 PolarHBondContact O-ND2 3.44Å
231	E	83.5	Confident	79.9	Confident	116 Å²	116	85.4 Å²	85.4	54%	0.542	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-44.7	178.7	-68.2	174.3	178.4	0	0	110.7	H228 R233 N234 L235	H228-E231 IonicContact CE1-OE2 3.46Å; H228-E231 IonicContact CG-OE2 3.41Å; H228-E231 IonicContact ND1-OE1 2.97Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact ND1-OE2 3.28Å; H228-E231 PolarHBondContact O-N 2.96Å; H228-E231 VanDerWaalsContact O-N 3.14Å; E231-R233 VanDerWaalsContact C-N 3.32Å; E231-R233 PolarHBondContact O-N 3.43Å; E231-N234 PolarHBondContact O-N 3.4Å; E231-L235 WeakPolarHBondContact O-CB 3.46Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 2.91Å
232	V	84.1	Confident	80.4	Confident	49 Å²	49	89.3 Å²	89.3	30%	0.297	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-40.6	176.3	176.5	0	0	0	0	110.9	L215 W224 H228 L235 A236	L215-V232 HydrophobicContact CD2-CG1 4.02Å; W224-V232 HydrophobicContact CH2-CB 4.08Å; W224-V232 HydrophobicContact CH2-CG1 3.64Å; W224-V232 HydrophobicContact CZ2-CG1 4.48Å; W224-V232 HydrophobicContact CZ3-CB 4.43Å; W224-V232 HydrophobicContact CZ3-CG1 4.32Å; H228-V232 WeakPolarHBondContact O-CG2 3.43Å; H228-V232 PolarHBondContact O-N 3.27Å; V232-L235 PolarHBondContact O-N 3.05Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.42Å
233	R	84.5	Confident	81.2	Confident	56 Å²	56	83 Å²	83	21%	0.211	40%	0.404	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.6	-169.8	-173.1	-48	136.8	9.3	112.3	L216 E219 S229 E230 E231 A236 R237	L216-R233 HydrophobicContact CD2-CG 3.81Å; E219-R233 IonicContact OE1-CZ 3.3Å; E219-R233 IonicContact OE1-NE 2.84Å; E219-R233 PolarHBondContact OE1-NE 3.04Å; E219-R233 IonicContact OE1-NH2 3.09Å; E219-R233 PolarHBondContact OE1-NH2 3.04Å; E219-R233 WeakPolarHBondContact OE2-CB 3.05Å; E219-R233 WeakPolarHBondContact OE2-CG 3.39Å; E219-R233 IonicContact OE2-NE 2.6Å; E219-R233 PolarHBondContact OE2-NE 3.17Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 3.35Å; E230-R233 PolarHBondContact O-N 3.41Å; E230-R233 IonicContact OE1-CZ 3.9Å; E230-R233 IonicContact OE1-NH1 2.67Å; E230-R233 PolarHBondContact OE1-NH1 2.77Å; E230-R233 IonicContact OE2-CZ 3.65Å; E230-R233 VanDerWaalsContact OE2-CZ 3.3Å; E230-R233 IonicContact OE2-NH1 3.4Å; E230-R233 PolarHBondContact OE2-NH1 3.18Å; E230-R233 IonicContact OE2-NH2 3.75Å; E230-R233 PolarHBondContact OE2-NH2 3.44Å; E231-R233 VanDerWaalsContact C-N 3.32Å; E231-R233 PolarHBondContact O-N 3.43Å; R233-A236 PolarHBondContact O-N 3.3Å; R233-R237 VanDerWaalsContact CD-NH1 3.33Å; R233-R237 VanDerWaalsContact CD-NH2 3.34Å; R233-R237 WeakPolarHBondContact O-CG 3.31Å; R233-R237 PolarHBondContact O-N 2.98Å
234	N	85.9	Confident	81.8	Confident	68 Å²	68	77.4 Å²	77.4	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-40.2	179.5	-71.8	-24.8	0	0	0	111.5	E230 E231 A236 R237 N238	E230-N234 PolarHBondContact O-N 3.22Å; E230-N234 PolarHBondContact O-ND2 3.44Å; E231-N234 PolarHBondContact O-N 3.4Å; N234-A236 VanDerWaalsContact C-N 3.35Å; N234-R237 PolarHBondContact O-N 3.39Å; N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.33Å; N234-N238 PolarHBondContact O-ND2 3.19Å; N234-N238 PolarHBondContact O-OD1 2.98Å
235	L	88.6	Confident	82.5	Confident	125 Å²	125	80.5 Å²	80.5	65%	0.654	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-42.6	172.3	-72.4	171	0	0	0	111.9	E231 V232 N238 G239	E231-L235 WeakPolarHBondContact O-CB 3.46Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 2.91Å; V232-L235 PolarHBondContact O-N 3.05Å; L235-N238 PolarHBondContact O-N 3.02Å; L235-G239 PolarHBondContact O-N 3.37Å
236	A	88.8	Confident	83.2	Confident	2 Å²	2	76.6 Å²	76.6	2%	0.017	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-44	178.7	0	0	0	0	0	112.4	L212 L215 L216 V232 R233 N234 G239 I240	L212-A236 HydrophobicContact CD2-CB 4.19Å; L215-A236 HydrophobicContact CD2-CB 4.17Å; L216-A236 HydrophobicContact CD2-CB 3.94Å; L216-A236 HydrophobicContact CG-CB 4.05Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.42Å; R233-A236 PolarHBondContact O-N 3.3Å; N234-A236 VanDerWaalsContact C-N 3.35Å; A236-G239 PolarHBondContact O-N 2.92Å; A236-I240 WeakPolarHBondContact O-CG1 3.15Å; A236-I240 PolarHBondContact O-N 2.96Å
237	R	88.5	Confident	83.2	Confident	118 Å²	118	73.4 Å²	73.4	45%	0.445	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-48.7	174.9	-74.8	178.4	-178.8	145.4	-5	111.8	L216 R233 N234 G239 I240 T241	L216-R237 HydrophobicContact CD1-CG 4.25Å; L216-R237 HydrophobicContact CD2-CG 4.42Å; R233-R237 VanDerWaalsContact CD-NH1 3.33Å; R233-R237 VanDerWaalsContact CD-NH2 3.34Å; R233-R237 WeakPolarHBondContact O-CG 3.31Å; R233-R237 PolarHBondContact O-N 2.98Å; N234-R237 PolarHBondContact O-N 3.39Å; R237-G239 VanDerWaalsContact C-N 3.25Å; R237-G239 PolarHBondContact O-N 3.38Å; R237-I240 PolarHBondContact O-N 3.48Å; R237-I240 VanDerWaalsContact O-N 3.13Å; R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.41Å
238	N	88.1	Confident	82.8	Confident	107 Å²	107	70 Å²	70	57%	0.572	34%	0.338	S	S	*	.	H	α-helix	trans	-59.8	-38.6	177.8	-69.9	-9.6	0	0	0	111.6	N234 L235 T241 Y242	N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.33Å; N234-N238 PolarHBondContact O-ND2 3.19Å; N234-N238 PolarHBondContact O-OD1 2.98Å; L235-N238 PolarHBondContact O-N 3.02Å; N238-T241 PolarHBondContact O-N 3.44Å; N238-Y242 WeakPolarHBondContact O-CB 3.4Å; N238-Y242 PolarHBondContact O-N 3.01Å
239	G	88.9	Confident	82.5	Confident	22 Å²	22	70 Å²	70	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.2	0	0	0	0	0	112.7	L235 A236 R237 Y242 L243	L235-G239 PolarHBondContact O-N 3.37Å; A236-G239 PolarHBondContact O-N 2.92Å; R237-G239 VanDerWaalsContact C-N 3.25Å; R237-G239 PolarHBondContact O-N 3.38Å; G239-Y242 PolarHBondContact O-N 3.11Å; G239-L243 VanDerWaalsContact O-CG 3.28Å; G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 3.45Å
240	I	87.4	Confident	81.8	Confident	24 Å²	24	72.6 Å²	72.6	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-46.2	176.1	-67.1	171.7	0	0	0	110.7	L212 E213 L216 A236 R237 Y242 L243 D244	L212-I240 HydrophobicContact CB-CD1 4.04Å; L212-I240 HydrophobicContact CB-CG1 3.73Å; L212-I240 HydrophobicContact CD1-CG1 4.26Å; E213-I240 HydrophobicContact CG-CD1 4.31Å; L216-I240 HydrophobicContact CD1-CD1 3.45Å; L216-I240 VanDerWaalsContact CD1-CD1 3.45Å; A236-I240 WeakPolarHBondContact O-CG1 3.15Å; A236-I240 PolarHBondContact O-N 2.96Å; R237-I240 PolarHBondContact O-N 3.48Å; R237-I240 VanDerWaalsContact O-N 3.13Å; I240-Y242 VanDerWaalsContact C-N 3.31Å; I240-Y242 PolarHBondContact O-N 3.24Å; I240-L243 PolarHBondContact O-N 2.94Å; I240-L243 VanDerWaalsContact O-N 3.12Å; I240-D244 PolarHBondContact O-N 3.29Å
241	T	85.9	Confident	80.9	Confident	69 Å²	69	72.2 Å²	72.2	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-43.2	178.6	-44	0	0	0	0	111.6	R237 N238 L243 D244 E245	R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.41Å; N238-T241 PolarHBondContact O-N 3.44Å; T241-L243 PolarHBondContact O-N 3.15Å; T241-D244 PolarHBondContact O-N 2.91Å; T241-E245 WeakPolarHBondContact O-CG 3.43Å; T241-E245 PolarHBondContact O-N 2.91Å
242	Y	87.5	Confident	79.9	Confident	138 Å²	138	74.6 Å²	74.6	54%	0.541	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-44.7	174.9	172.6	-98.9	0	0	0	112.1	N238 G239 I240 D244 R246	N238-Y242 WeakPolarHBondContact O-CB 3.4Å; N238-Y242 PolarHBondContact O-N 3.01Å; G239-Y242 PolarHBondContact O-N 3.11Å; I240-Y242 VanDerWaalsContact C-N 3.31Å; I240-Y242 PolarHBondContact O-N 3.24Å; Y242-D244 VanDerWaalsContact C-N 3.33Å; Y242-D244 PolarHBondContact O-N 3.48Å; Y242-R246 WeakPolarHBondContact O-CB 3.4Å; Y242-R246 PolarHBondContact O-N 3.09Å
243	L	85.6	Confident	78.3	Confident	9 Å²	9	77.6 Å²	77.6	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-38.3	178.3	-71	173.7	0	0	0	111.9	F202 L205 D208 H209 L212 G239 I240 T241 S247	F202-L243 HydrophobicContact CD1-CB 4.4Å; F202-L243 HydrophobicContact CE1-CB 4.06Å; L205-L243 HydrophobicContact CB-CD2 3.87Å; L205-L243 HydrophobicContact CD1-CD2 3.97Å; L205-L243 HydrophobicContact CD2-CD2 4.37Å; L205-L243 HydrophobicContact CG-CD2 4.29Å; D208-L243 HydrophobicContact CB-CD1 4.41Å; H209-L243 HydrophobicContact CB-CD1 3.88Å; L212-L243 HydrophobicContact CD1-CD1 4.06Å; G239-L243 VanDerWaalsContact O-CG 3.28Å; G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 3.45Å; I240-L243 PolarHBondContact O-N 2.94Å; I240-L243 VanDerWaalsContact O-N 3.12Å; T241-L243 PolarHBondContact O-N 3.15Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.43Å; L243-S247 PolarHBondContact O-N 3.38Å
244	D	79.5	Confident	77.1	Confident	35 Å²	35	80.1 Å²	80.1	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-47.8	177.5	-73.9	-15.4	0	0	0	112.1	I190 H209 I240 T241 Y242 R246 S247 K248	I190-D244 HydrophobicContact CD1-CB 3.58Å; I190-D244 WeakPolarHBondContact CD1-OD1 3.26Å; H209-D244 IonicContact NE2-OD1 2.6Å; I240-D244 PolarHBondContact O-N 3.29Å; T241-D244 PolarHBondContact O-N 2.91Å; Y242-D244 VanDerWaalsContact C-N 3.33Å; Y242-D244 PolarHBondContact O-N 3.48Å; D244-R246 VanDerWaalsContact C-N 3.35Å; D244-R246 PolarHBondContact O-N 3.41Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 2.85Å; D244-K248 WeakPolarHBondContact O-CG 3.26Å; D244-K248 PolarHBondContact O-N 3.27Å
245	E	79.7	Confident	75.6	Confident	122 Å²	122	78.6 Å²	78.6	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-43.9	175.2	-72.9	178.3	178	0	0	111.6	T241 S247 K248 F249	T241-E245 WeakPolarHBondContact O-CG 3.43Å; T241-E245 PolarHBondContact O-N 2.91Å; E245-S247 VanDerWaalsContact C-N 3.32Å; E245-S247 PolarHBondContact O-N 2.89Å; E245-K248 WeakPolarHBondContact O-CB 3.24Å; E245-K248 PolarHBondContact O-N 2.87Å; E245-F249 PolarHBondContact O-N 3.22Å
246	R	79.3	Confident	73.8	Confident	89 Å²	89	73.5 Å²	73.5	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-61.1	-42.2	175.8	-164.3	88.8	173.5	115.3	-1.4	111.1	Y242 D244 F249 W250	Y242-R246 WeakPolarHBondContact O-CB 3.4Å; Y242-R246 PolarHBondContact O-N 3.09Å; D244-R246 VanDerWaalsContact C-N 3.35Å; D244-R246 PolarHBondContact O-N 3.41Å; R246-F249 WeakPolarHBondContact O-CB 3.29Å; R246-F249 PolarHBondContact O-N 2.98Å; R246-W250 PolarHBondContact O-N 3.5Å
247	S	70.4	Confident	72.1	Confident	7 Å²	7	79.2 Å²	79.2	5%	0.049	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-44.2	177.3	-178.1	0	0	0	0	111.5	L243 D244 E245 W250 H251	L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.43Å; L243-S247 PolarHBondContact O-N 3.38Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 2.85Å; E245-S247 VanDerWaalsContact C-N 3.32Å; E245-S247 PolarHBondContact O-N 2.89Å; S247-W250 PolarHBondContact O-N 2.69Å; S247-H251 WeakPolarHBondContact O-CB 3.16Å; S247-H251 PolarHBondContact O-N 3.45Å
248	K	69.2	Low	70.4	Confident	93 Å²	93	75.3 Å²	75.3	40%	0.404	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-46.1	173.7	-68.6	176.5	-168.6	-172.2	0	111.8	N187 D244 E245 W250 H251 Q252	N187-K248 PolarHBondContact OD1-NZ 2.94Å; D244-K248 WeakPolarHBondContact O-CG 3.26Å; D244-K248 PolarHBondContact O-N 3.27Å; E245-K248 WeakPolarHBondContact O-CB 3.24Å; E245-K248 PolarHBondContact O-N 2.87Å; K248-W250 PolarHBondContact O-N 2.91Å; K248-H251 VanDerWaalsContact O-CB 3.31Å; K248-H251 WeakPolarHBondContact O-CB 3.29Å; K248-H251 PolarHBondContact O-N 3.45Å; K248-H251 VanDerWaalsContact O-N 3.15Å; K248-Q252 PolarHBondContact O-N 3.44Å
249	F	69.7	Low	68.7	Low	102 Å²	102	72.1 Å²	72.1	45%	0.447	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-50.3	176.5	176.8	-90.2	0	0	0	111.8	E245 R246 H251 Q252 E253	E245-F249 PolarHBondContact O-N 3.22Å; R246-F249 WeakPolarHBondContact O-CB 3.29Å; R246-F249 PolarHBondContact O-N 2.98Å; F249-H251 PolarHBondContact O-N 3.36Å; F249-Q252 WeakPolarHBondContact O-CB 3.29Å; F249-Q252 PolarHBondContact O-N 3.45Å; F249-E253 WeakPolarHBondContact CE1-OE2 3.37Å; F249-E253 PolarHBondContact O-N 3.49Å; F249-E253 VanDerWaalsContact O-N 3.11Å
250	W	63.2	Low	66.8	Low	82 Å²	82	74.5 Å²	74.5	31%	0.311	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-24.8	178.8	-73.5	111.4	0	0	0	112.9	R246 S247 K248 Q252 E253 K254 R259	R246-W250 PolarHBondContact O-N 3.5Å; S247-W250 PolarHBondContact O-N 2.69Å; K248-W250 PolarHBondContact O-N 2.91Å; W250-Q252 VanDerWaalsContact C-N 3.3Å; W250-E253 WeakPolarHBondContact CZ3-OE2 3.18Å; W250-E253 PolarHBondContact O-N 2.94Å; W250-K254 CarbonylContact O-C 3.38Å; W250-K254 PolarHBondContact O-N 2.84Å; W250-R259 PolarHBondContact O-NH2 3.44Å
251	H	60.8	Low	64.9	Low	84 Å²	84	78.7 Å²	78.7	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-38.1	175.1	-144.4	99.2	0	0	0	111.1	M201 S247 K248 F249 V256	M201-H251 PolarHBondContact SD-ND1 2.95Å; S247-H251 WeakPolarHBondContact O-CB 3.16Å; S247-H251 PolarHBondContact O-N 3.45Å; K248-H251 VanDerWaalsContact O-CB 3.31Å; K248-H251 WeakPolarHBondContact O-CB 3.29Å; K248-H251 PolarHBondContact O-N 3.45Å; K248-H251 VanDerWaalsContact O-N 3.15Å; F249-H251 PolarHBondContact O-N 3.36Å; H251-V256 VanDerWaalsContact CE1-CG2 3.41Å; H251-V256 WeakPolarHBondContact CE1-CG2 3.47Å
252	Q	61.5	Low	63.1	Low	165 Å²	165	80.4 Å²	80.4	77%	0.771	37%	0.372	S	S	*	.	H	α-helix	trans	-70.5	-41.3	174.8	-65.1	175.2	-4.6	0	0	111.6	K248 F249 W250	K248-Q252 PolarHBondContact O-N 3.44Å; F249-Q252 WeakPolarHBondContact O-CB 3.29Å; F249-Q252 PolarHBondContact O-N 3.45Å; W250-Q252 VanDerWaalsContact C-N 3.3Å
253	E	51.7	Low	61.3	Low	112 Å²	112	80.4 Å²	80.4	52%	0.523	38%	0.377	S	S	.	.	H	α-helix	trans	-79.1	-38.9	-175.9	-145.4	-162.2	162.5	0	0	113.3	F249 W250	F249-E253 WeakPolarHBondContact CE1-OE2 3.37Å; F249-E253 PolarHBondContact O-N 3.49Å; F249-E253 VanDerWaalsContact O-N 3.11Å; W250-E253 WeakPolarHBondContact CZ3-OE2 3.18Å; W250-E253 PolarHBondContact O-N 2.94Å
254	K	58.8	Low	59.5	Low	109 Å²	109	88.1 Å²	88.1	47%	0.474	41%	0.41	S	S	.	.	S	Bend	trans	-143.3	92.2	-178.8	-69.5	-176.3	-175.7	172.8	0	110.4	W250 R259	W250-K254 CarbonylContact O-C 3.38Å; W250-K254 PolarHBondContact O-N 2.84Å; K254-R259 HydrophobicContact CB-CG 4.37Å; K254-R259 PolarHBondContact O-NE 2.85Å; K254-R259 PolarHBondContact O-NH2 3.1Å
255	P	55.7	Low	57.6	Low	36 Å²	36	92.6 Å²	92.6	23%	0.234	43%	0.433	C	S	.	.			trans	-53.2	150.7	178.7	-28.7	36.4	0	0	0	112.5	Y257 A258	P255-Y257 HydrophobicContact CB-CD1 3.53Å; P255-Y257 HydrophobicContact CB-CE1 3.13Å; P255-Y257 HydrophobicContact CB-CE2 4.28Å; P255-Y257 HydrophobicContact CB-CG 4.27Å; P255-Y257 HydrophobicContact CG-CE1 3.74Å; P255-Y257 PolarHBondContact O-N 3.24Å; P255-A258 WeakPolarHBondContact O-CB 3.41Å; P255-A258 PolarHBondContact O-N 2.99Å
256	V	50.5	Low	55.8	Low	18 Å²	18	94.6 Å²	94.6	11%	0.109	44%	0.44	C	S	.	.	H	α-helix	trans	-50.4	-35.3	-174.6	172.5	0	0	0	0	112.9	I200 M201 H251 A258 R259 M260	I200-V256 HydrophobicContact CG2-CG1 3.84Å; M201-V256 HydrophobicContact CG-CG2 4.29Å; H251-V256 VanDerWaalsContact CE1-CG2 3.41Å; H251-V256 WeakPolarHBondContact CE1-CG2 3.47Å; V256-A258 VanDerWaalsContact C-N 3.31Å; V256-A258 PolarHBondContact O-N 3.29Å; V256-R259 PolarHBondContact O-N 3.34Å; V256-M260 HydrophobicContact CG1-CE 3.87Å; V256-M260 WeakPolarHBondContact O-CG 3.37Å; V256-M260 PolarHBondContact O-N 3.09Å; V256-M260 VanDerWaalsContact O-N 3.16Å
257	Y	52.8	Low	53.5	Low	122 Å²	122	96.5 Å²	96.5	48%	0.478	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-28.2	177.4	65.1	-104.8	0	0	0	114.1	V106 P255 K261	V106-Y257 HydrophobicContact CG2-CD1 4.26Å; V106-Y257 HydrophobicContact CG2-CE1 4.15Å; P255-Y257 HydrophobicContact CB-CD1 3.53Å; P255-Y257 HydrophobicContact CB-CE1 3.13Å; P255-Y257 HydrophobicContact CB-CE2 4.28Å; P255-Y257 HydrophobicContact CB-CG 4.27Å; P255-Y257 HydrophobicContact CG-CE1 3.74Å; P255-Y257 PolarHBondContact O-N 3.24Å; Y257-K261 PolarHBondContact O-N 3.35Å
258	A	51.8	Low	51.9	Low	36 Å²	36	103.5 Å²	103.5	30%	0.298	50%	0.5	S	S	.	.	H	α-helix	trans	-76.1	-39.1	178.1	0	0	0	0	0	111.2	P255 V256 K261 T262	P255-A258 WeakPolarHBondContact O-CB 3.41Å; P255-A258 PolarHBondContact O-N 2.99Å; V256-A258 VanDerWaalsContact C-N 3.31Å; V256-A258 PolarHBondContact O-N 3.29Å; A258-K261 WeakPolarHBondContact O-CB 3.38Å; A258-K261 PolarHBondContact O-N 2.92Å; A258-T262 PolarHBondContact O-N 2.85Å; A258-T262 PolarHBondContact O-OG1 3.11Å
259	R	52.2	Low	50.3	Low	41 Å²	41	104.8 Å²	104.8	16%	0.155	52%	0.515	C	S	.	.	H	α-helix	trans	-68.6	-40.7	178.3	-56.5	-171.8	-152.7	169.2	11.1	112.3	M201 W250 K254 V256 K261 T262 E263	M201-R259 PolarHBondContact O-NH1 2.86Å; W250-R259 PolarHBondContact O-NH2 3.44Å; K254-R259 HydrophobicContact CB-CG 4.37Å; K254-R259 PolarHBondContact O-NE 2.85Å; K254-R259 PolarHBondContact O-NH2 3.1Å; V256-R259 PolarHBondContact O-N 3.34Å; R259-K261 PolarHBondContact O-N 3.35Å; R259-T262 WeakPolarHBondContact CA-OG1 3.2Å; R259-T262 PolarHBondContact O-N 2.93Å; R259-T262 PolarHBondContact O-OG1 3.12Å; R259-E263 PolarHBondContact O-N 2.89Å
260	M	49.7	Very low	48.4	Very low	71 Å²	71	110.2 Å²	110.2	35%	0.35	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-29.4	173.8	-73.7	-174.1	178.4	0	0	112.8	I200 V256 K264	I200-M260 HydrophobicContact CD1-CE 3.22Å; I200-M260 HydrophobicContact CD1-CG 4.29Å; I200-M260 HydrophobicContact CG2-CG 4.34Å; V256-M260 HydrophobicContact CG1-CE 3.87Å; V256-M260 WeakPolarHBondContact O-CG 3.37Å; V256-M260 PolarHBondContact O-N 3.09Å; V256-M260 VanDerWaalsContact O-N 3.16Å; M260-K264 WeakPolarHBondContact O-CB 3.36Å; M260-K264 WeakPolarHBondContact O-CG 3.25Å; M260-K264 PolarHBondContact O-N 2.88Å
261	K	46.6	Very low	47	Very low	113 Å²	113	111.5 Å²	111.5	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-73.4	-40.4	179.1	-159	174.4	-175.4	176.9	0	111.2	Y257 A258 R259 L265	Y257-K261 PolarHBondContact O-N 3.35Å; A258-K261 WeakPolarHBondContact O-CB 3.38Å; A258-K261 PolarHBondContact O-N 2.92Å; R259-K261 PolarHBondContact O-N 3.35Å; K261-L265 HydrophobicContact CG-CD1 4.21Å; K261-L265 WeakPolarHBondContact O-CD1 3.3Å; K261-L265 WeakPolarHBondContact O-CG 3.24Å; K261-L265 PolarHBondContact O-N 2.78Å
262	T	50	Low	45.7	Very low	104 Å²	104	119 Å²	119	64%	0.638	59%	0.585	S	S	*	*	H	α-helix	trans	-68.6	-34.5	176.6	33	0	0	0	0	113.6	A258 R259	A258-T262 PolarHBondContact O-N 2.85Å; A258-T262 PolarHBondContact O-OG1 3.11Å; R259-T262 WeakPolarHBondContact CA-OG1 3.2Å; R259-T262 PolarHBondContact O-N 2.93Å; R259-T262 PolarHBondContact O-OG1 3.12Å
263	E	49.4	Very low	44.4	Very low	139 Å²	139	119.3 Å²	119.3	65%	0.65	59%	0.591	S	S	*	*	H	α-helix	trans	-74.8	-32.1	175.9	-75.8	-173.4	150.7	0	0	113.4	R259 L265	R259-E263 PolarHBondContact O-N 2.89Å; E263-L265 VanDerWaalsContact C-N 3.32Å
264	K	46.2	Very low	43.8	Very low	171 Å²	171	120.4 Å²	120.4	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-78.7	-14.3	177.7	-73	-177.5	177.9	-174.4	0	113.5	M260 K266	M260-K264 WeakPolarHBondContact O-CB 3.36Å; M260-K264 WeakPolarHBondContact O-CG 3.25Å; M260-K264 PolarHBondContact O-N 2.88Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.34Å
265	L	41.2	Very low	42.6	Very low	128 Å²	128	125.2 Å²	125.2	67%	0.67	63%	0.627	S	S	*	*			trans	-89.4	55.3	174.2	-76.5	160.7	0	0	0	111.4	K261 E263	K261-L265 HydrophobicContact CG-CD1 4.21Å; K261-L265 WeakPolarHBondContact O-CD1 3.3Å; K261-L265 WeakPolarHBondContact O-CG 3.24Å; K261-L265 PolarHBondContact O-N 2.78Å; E263-L265 VanDerWaalsContact C-N 3.32Å
266	K	40.8	Very low	41.9	Very low	165 Å²	165	132.3 Å²	132.3	72%	0.717	65%	0.654	S	S	*	*	S	Bend	trans	-74	139	150.3	-78.6	-177.7	177.5	178.4	0	107.3	K264 L268	K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.34Å; K266-L268 PolarHBondContact O-N 3.13Å
267	P	30.9	Very low	41.3	Very low	129 Å²	129	140.8 Å²	140.8	84%	0.838	69%	0.692	S	S	*	*			trans	-73.1	87.3	-167	29	-33.1	0	0	0	111.1	T269	P267-T269 PolarHBondContact O-N 3.41Å
268	L	37.2	Very low	41.1	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	70%	0.7	S	S	*	*			trans	-85.7	83.6	169.9	-83.3	149	0	0	0	109.2	K266	K266-L268 PolarHBondContact O-N 3.13Å
269	T	34.9	Very low	41.4	Very low	120 Å²	120	142.3 Å²	142.3	74%	0.736	70%	0.702	S	S	*	*			trans	17.5	110.9	140	47.7	0	0	0	0	118.3	P267	P267-T269 PolarHBondContact O-N 3.41Å
270	K	30.7	Very low	42.2	Very low	217 Å²	217	144 Å²	144	94%	0.943	72%	0.719	S	S	*	*			trans	10.6	110.6	146.8	-69.6	175.3	178	173.3	0	116.8
271	S	33.8	Very low	43.4	Very low	108 Å²	108	144 Å²	144	76%	0.755	72%	0.718	S	S	*	*			trans	-142.4	105.6	150.8	-172.1	0	0	0	0	112
272	R	32.8	Very low	45	Very low	243 Å²	243	140.1 Å²	140.1	92%	0.917	70%	0.702	S	S	*	*			trans	35	82.2	145.4	-65.7	177	179.5	-180	-0.3	118.1
273	L	35.5	Very low	46.4	Very low	170 Å²	170	139 Å²	139	89%	0.89	69%	0.692	S	S	*	*			trans	-94.2	121.8	142.7	-80	156.9	0	0	0	107.7	K275	L273-K275 PolarHBondContact O-N 2.91Å
274	T	38.6	Very low	48.1	Very low	136 Å²	136	138.1 Å²	138.1	83%	0.834	69%	0.686	S	S	*	*			trans	-59.6	124	-179.2	40.1	0	0	0	0	110.4	K276	T274-K276 PolarHBondContact O-N 3.42Å
275	K	32.5	Very low	50.1	Low	209 Å²	209	130.1 Å²	130.1	91%	0.909	65%	0.651	S	S	*	*			trans	-62.4	90.3	174	-71	174.7	174.8	179.8	0	110.2	L273	L273-K275 PolarHBondContact O-N 2.91Å
276	K	40.9	Very low	52.2	Low	186 Å²	186	126 Å²	126	81%	0.809	63%	0.63	S	S	*	*			trans	-86.6	118	141.1	-85.7	-174.6	173.5	-175.5	0	105.6	T274 H278	T274-K276 PolarHBondContact O-N 3.42Å; K276-H278 PolarHBondContact O-N 3.08Å; K276-H278 PolarHBondContact O-ND1 3.27Å
277	Q	38.5	Very low	54.5	Low	196 Å²	196	123.3 Å²	123.3	92%	0.916	62%	0.623	S	S	*	*			trans	-44.5	94.8	-177	-76	159.2	-44.8	0	0	110.9	C279	Q277-C279 PolarHBondContact O-N 3.39Å
278	H	49.5	Very low	57.5	Low	139 Å²	139	121.2 Å²	121.2	64%	0.644	60%	0.601	S	S	*	*			trans	-76.1	107.5	162.3	-91.2	44.6	0	0	0	105.7	K276	K276-H278 PolarHBondContact O-N 3.08Å; K276-H278 PolarHBondContact O-ND1 3.27Å
279	C	56.5	Low	60.1	Low	51 Å²	51	114.6 Å²	114.6	35%	0.345	57%	0.566	S	S	.	*			trans	-56.5	123.4	172.4	-113.6	0	0	0	0	108.1	Q277 E281 I282	Q277-C279 PolarHBondContact O-N 3.39Å; C279-E281 HydrophobicContact CB-CB 4.35Å; C279-E281 WeakPolarHBondContact CB-OE2 3.45Å; C279-E281 PolarHBondContact O-N 3.12Å; C279-E281 PolarHBondContact SG-OE2 3.3Å; C279-I282 HydrophobicContact CB-CD1 4.3Å; C279-I282 HydrophobicContact CB-CG1 4.24Å; C279-I282 PolarHBondContact O-N 2.91Å
280	P	70.3	Confident	62.7	Low	76 Å²	76	112.1 Å²	112.1	49%	0.494	55%	0.546	S	S	.	.	H	α-helix	trans	-53.8	-22.4	176.1	19.8	-29.9	0	0	0	112.9	N283 K284	P280-N283 PolarHBondContact O-N 3.02Å; P280-K284 WeakPolarHBondContact O-CG 3.32Å; P280-K284 PolarHBondContact O-N 3.46Å
281	E	75.5	Confident	65.8	Low	72 Å²	72	105.8 Å²	105.8	34%	0.336	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-42.2	173.1	-66.4	66.2	-143.5	0	0	112.5	C279 N283 K284 V285 W318	C279-E281 HydrophobicContact CB-CB 4.35Å; C279-E281 WeakPolarHBondContact CB-OE2 3.45Å; C279-E281 PolarHBondContact O-N 3.12Å; C279-E281 PolarHBondContact SG-OE2 3.3Å; E281-N283 PolarHBondContact O-N 3.41Å; E281-K284 WeakPolarHBondContact O-CB 3.32Å; E281-K284 PolarHBondContact O-N 3.03Å; E281-V285 PolarHBondContact O-N 2.85Å; E281-W318 HydrophobicContact CB-CH2 3.95Å; E281-W318 HydrophobicContact CB-CZ2 4.03Å
282	I	78.4	Confident	68.7	Low	30 Å²	30	100.7 Å²	100.7	15%	0.154	48%	0.484	C	S	.	.	H	α-helix	trans	-65	-43.9	-179.4	-64.1	173.5	0	0	0	110.2	C279 K284 V285 L286 V323	C279-I282 HydrophobicContact CB-CD1 4.3Å; C279-I282 HydrophobicContact CB-CG1 4.24Å; C279-I282 PolarHBondContact O-N 2.91Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 2.99Å; I282-V285 PolarHBondContact O-N 3.34Å; I282-L286 HydrophobicContact CG2-CD1 4.05Å; I282-L286 HydrophobicContact CG2-CG 4.36Å; I282-L286 WeakPolarHBondContact O-CG 3.27Å; I282-L286 PolarHBondContact O-N 3.45Å; I282-V323 HydrophobicContact CD1-CG1 4.42Å; I282-V323 HydrophobicContact CG1-CG1 4.32Å
283	N	79.7	Confident	71.4	Confident	80 Å²	80	89.6 Å²	89.6	43%	0.428	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-35.9	176.6	-75.1	-29.6	0	0	0	112.1	P280 E281 N287	P280-N283 PolarHBondContact O-N 3.02Å; E281-N283 PolarHBondContact O-N 3.41Å; N283-N287 VanDerWaalsContact O-CG 3.27Å; N283-N287 PolarHBondContact O-N 2.96Å; N283-N287 PolarHBondContact O-ND2 3.2Å
284	K	85.1	Confident	74.2	Confident	122 Å²	122	88.7 Å²	88.7	53%	0.53	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-44	173.9	-71.5	173.6	-177.8	173.6	0	111.1	P280 E281 I282 N287 K288	P280-K284 WeakPolarHBondContact O-CG 3.32Å; P280-K284 PolarHBondContact O-N 3.46Å; E281-K284 WeakPolarHBondContact O-CB 3.32Å; E281-K284 PolarHBondContact O-N 3.03Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 2.99Å; K284-N287 PolarHBondContact O-N 3.36Å; K284-K288 WeakPolarHBondContact O-CG 3.5Å; K284-K288 PolarHBondContact O-N 2.92Å; K284-K288 VanDerWaalsContact O-N 3.09Å
285	V	88.2	Confident	76.9	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.012	40%	0.395	C	S	.	.	H	α-helix	trans	-65.6	-44.3	177.2	168.6	0	0	0	0	111.9	E281 I282 N287 K288 L289 L311 V315 W318 I329	E281-V285 PolarHBondContact O-N 2.85Å; I282-V285 PolarHBondContact O-N 3.34Å; V285-N287 VanDerWaalsContact C-N 3.3Å; V285-N287 PolarHBondContact O-N 2.93Å; V285-K288 CarbonylContact O-C 3.59Å; V285-K288 PolarHBondContact O-N 2.59Å; V285-L289 HydrophobicContact CG1-CD1 3.97Å; V285-L289 HydrophobicContact CG1-CG 4.22Å; V285-L289 WeakPolarHBondContact O-CG 3.42Å; V285-L289 PolarHBondContact O-N 3.45Å; V285-L311 HydrophobicContact CG1-CD1 4.26Å; V285-L311 HydrophobicContact CG1-CD2 4.47Å; V285-L311 HydrophobicContact CG2-CD1 3.97Å; V285-V315 HydrophobicContact CG1-CG2 4.43Å; V285-V315 HydrophobicContact CG2-CG2 3.85Å; V285-W318 HydrophobicContact CB-CH2 4.13Å; V285-W318 HydrophobicContact CG2-CH2 3.1Å; V285-W318 HydrophobicContact CG2-CZ2 3.54Å; V285-W318 HydrophobicContact CG2-CZ3 3.98Å; V285-I329 HydrophobicContact CG1-CG2 3.69Å
286	L	85.9	Confident	79.8	Confident	41 Å²	41	73.9 Å²	73.9	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-58.2	-41.7	176.1	-72.2	171.7	0	0	0	112.1	I282 K288 L289 H290	I282-L286 HydrophobicContact CG2-CD1 4.05Å; I282-L286 HydrophobicContact CG2-CG 4.36Å; I282-L286 WeakPolarHBondContact O-CG 3.27Å; I282-L286 PolarHBondContact O-N 3.45Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.82Å; L286-L289 PolarHBondContact O-N 3.38Å; L286-H290 PolarHBondContact O-N 2.96Å
287	N	89.4	Confident	82.1	Confident	110 Å²	110	68.7 Å²	68.7	59%	0.588	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-37.9	175.4	-72.7	-26.9	0	0	0	112.5	N283 K284 V285 H291	N283-N287 VanDerWaalsContact O-CG 3.27Å; N283-N287 PolarHBondContact O-N 2.96Å; N283-N287 PolarHBondContact O-ND2 3.2Å; K284-N287 PolarHBondContact O-N 3.36Å; V285-N287 VanDerWaalsContact C-N 3.3Å; V285-N287 PolarHBondContact O-N 2.93Å; N287-H291 WeakPolarHBondContact O-CB 3.46Å; N287-H291 PolarHBondContact O-N 2.86Å
288	K	93.6	Very high	84.8	Confident	84 Å²	84	62 Å²	62	37%	0.365	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-41.5	174.6	-70.7	178	178	176.3	0	111.5	K284 V285 L286 H291 I292 L311 E314	K284-K288 WeakPolarHBondContact O-CG 3.5Å; K284-K288 PolarHBondContact O-N 2.92Å; K284-K288 VanDerWaalsContact O-N 3.09Å; V285-K288 CarbonylContact O-C 3.59Å; V285-K288 PolarHBondContact O-N 2.59Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.82Å; K288-H291 WeakPolarHBondContact O-CB 3.32Å; K288-H291 PolarHBondContact O-N 3.31Å; K288-H291 VanDerWaalsContact O-N 3.15Å; K288-I292 VanDerWaalsContact O-CG1 3.31Å; K288-I292 WeakPolarHBondContact O-CG1 3.33Å; K288-I292 PolarHBondContact O-N 2.83Å; K288-L311 HydrophobicContact CB-CD1 4.05Å; K288-L311 HydrophobicContact CB-CD2 3.94Å; K288-L311 HydrophobicContact CD-CD1 3.71Å; K288-E314 IonicContact NZ-OE1 2.73Å; K288-E314 PolarHBondContact NZ-OE1 3.3Å; K288-E314 IonicContact NZ-OE2 3.61Å; K288-E314 PolarHBondContact NZ-OE2 3.09Å
289	L	92.2	Very high	86.7	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-46.1	173.4	-69.5	172.6	0	0	0	111.6	V285 L286 H291 I292 D293 L311 I333 M336	V285-L289 HydrophobicContact CG1-CD1 3.97Å; V285-L289 HydrophobicContact CG1-CG 4.22Å; V285-L289 WeakPolarHBondContact O-CG 3.42Å; V285-L289 PolarHBondContact O-N 3.45Å; L286-L289 PolarHBondContact O-N 3.38Å; L289-H291 VanDerWaalsContact C-N 3.27Å; L289-H291 PolarHBondContact O-N 2.84Å; L289-I292 PolarHBondContact O-N 2.98Å; L289-D293 WeakPolarHBondContact O-CB 3.39Å; L289-D293 PolarHBondContact O-N 3.24Å; L289-L311 HydrophobicContact CD2-CD2 3.63Å; L289-L311 HydrophobicContact CG-CD2 3.91Å; L289-I333 HydrophobicContact CD2-CG1 3.79Å; L289-M336 HydrophobicContact CB-SD 4.34Å; L289-M336 HydrophobicContact CD2-SD 3.63Å; L289-M336 WeakPolarHBondContact O-CE 3.5Å
290	H	90.2	Very high	88.6	Confident	68 Å²	68	64.5 Å²	64.5	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-36.1	173.8	-71.5	164.6	0	0	0	112.6	Q112 L286 D293 K294	Q112-H290 PolarHBondContact NE2-NE2 3.26Å; L286-H290 PolarHBondContact O-N 2.96Å; H290-D293 PolarHBondContact O-N 3.23Å; H290-K294 PolarHBondContact O-N 2.97Å
291	H	93.9	Very high	89.8	Confident	84 Å²	84	62 Å²	62	39%	0.389	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-45.6	175.7	-176.8	55.2	0	0	0	111.8	N287 K288 L289 D293 K294 L295 H307	N287-H291 WeakPolarHBondContact O-CB 3.46Å; N287-H291 PolarHBondContact O-N 2.86Å; K288-H291 WeakPolarHBondContact O-CB 3.32Å; K288-H291 PolarHBondContact O-N 3.31Å; K288-H291 VanDerWaalsContact O-N 3.15Å; L289-H291 VanDerWaalsContact C-N 3.27Å; L289-H291 PolarHBondContact O-N 2.84Å; H291-D293 VanDerWaalsContact C-N 3.29Å; H291-D293 PolarHBondContact O-N 2.99Å; H291-K294 WeakPolarHBondContact O-CB 3.43Å; H291-K294 PolarHBondContact O-N 3.49Å; H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 3.37Å; H291-H307 AromaticContact NE2-NE2 3.94Å
292	I	94.7	Very high	90.8	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-42.6	175.7	-60.6	158.4	0	0	0	110.1	K288 L289 K294 L295 Q296 A304 H307 A308 L311 M336	K288-I292 VanDerWaalsContact O-CG1 3.31Å; K288-I292 WeakPolarHBondContact O-CG1 3.33Å; K288-I292 PolarHBondContact O-N 2.83Å; L289-I292 PolarHBondContact O-N 2.98Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 3.05Å; I292-L295 WeakPolarHBondContact O-CB 3.18Å; I292-L295 PolarHBondContact O-N 3.16Å; I292-L295 VanDerWaalsContact O-N 3.13Å; I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.97Å; I292-A304 HydrophobicContact CG2-CB 3.94Å; I292-H307 HydrophobicContact CD1-CB 4.37Å; I292-H307 HydrophobicContact CG1-CB 3.69Å; I292-A308 HydrophobicContact CD1-CB 4.04Å; I292-A308 HydrophobicContact CG2-CB 4.31Å; I292-L311 HydrophobicContact CD1-CB 4.44Å; I292-L311 HydrophobicContact CD1-CD2 3.73Å; I292-M336 HydrophobicContact CB-CE 3.53Å; I292-M336 HydrophobicContact CG2-CB 4.41Å; I292-M336 HydrophobicContact CG2-CE 3.42Å; I292-M336 VanDerWaalsContact CG2-CE 3.42Å; I292-M336 HydrophobicContact CG2-SD 4.49Å
293	D	91.1	Very high	91.7	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-38	178.4	-176.8	44.3	0	0	0	112	R122 L289 H290 H291 Q296 R297 M336	R122-D293 IonicContact CZ-OD1 2.88Å; R122-D293 VanDerWaalsContact CZ-OD1 3.22Å; R122-D293 IonicContact CZ-OD2 2.96Å; R122-D293 IonicContact NE-OD1 2.59Å; R122-D293 PolarHBondContact NE-OD1 3.1Å; R122-D293 IonicContact NE-OD2 2.93Å; R122-D293 PolarHBondContact NE-OD2 2.96Å; R122-D293 VanDerWaalsContact NH2-CB 3.34Å; R122-D293 IonicContact NH2-OD1 2.92Å; R122-D293 PolarHBondContact NH2-OD1 3.26Å; R122-D293 IonicContact NH2-OD2 3.78Å; L289-D293 WeakPolarHBondContact O-CB 3.39Å; L289-D293 PolarHBondContact O-N 3.24Å; H290-D293 PolarHBondContact O-N 3.23Å; H291-D293 VanDerWaalsContact C-N 3.29Å; H291-D293 PolarHBondContact O-N 2.99Å; D293-Q296 PolarHBondContact O-N 3.39Å; D293-R297 PolarHBondContact O-N 3.39Å; D293-R297 PolarHBondContact O-NH1 3.21Å; D293-R297 IonicContact OD1-CZ 2.55Å; D293-R297 IonicContact OD1-NH1 2.85Å; D293-R297 PolarHBondContact OD1-NH1 3.45Å; D293-R297 IonicContact OD1-NH2 3.72Å; D293-R297 PolarHBondContact OD1-NH2 3.2Å; D293-R297 IonicContact OD2-CZ 2.84Å; D293-R297 IonicContact OD2-NH1 2.72Å; D293-R297 PolarHBondContact OD2-NH1 3.36Å; D293-R297 IonicContact OD2-NH2 2.72Å; D293-R297 PolarHBondContact OD2-NH2 3.12Å; D293-M336 HydrophobicContact CB-CE 3.8Å; D293-M336 VanDerWaalsContact N-CE 3.3Å
294	K	93.2	Very high	92.5	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-65	-40.8	173.2	-172.3	179.6	179.8	-178.7	0	111.9	H290 H291 I292 R297 A298	H290-K294 PolarHBondContact O-N 2.97Å; H291-K294 WeakPolarHBondContact O-CB 3.43Å; H291-K294 PolarHBondContact O-N 3.49Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 3.05Å; K294-R297 PolarHBondContact O-N 3.36Å; K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 2.99Å
295	L	95.6	Very high	93.1	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-42	175.7	-67.1	170.9	0	0	0	111.3	H291 I292 A298 H299 Q300 L303 A304 H307	H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 3.37Å; I292-L295 WeakPolarHBondContact O-CB 3.18Å; I292-L295 PolarHBondContact O-N 3.16Å; I292-L295 VanDerWaalsContact O-N 3.13Å; L295-A298 CarbonylContact O-C 3.6Å; L295-A298 PolarHBondContact O-N 3.11Å; L295-H299 PolarHBondContact O-N 2.88Å; L295-Q300 HydrophobicContact CB-CB 4.38Å; L295-Q300 HydrophobicContact CD2-CB 4.31Å; L295-Q300 PolarHBondContact O-N 2.98Å; L295-L303 HydrophobicContact CD1-CB 4.11Å; L295-L303 HydrophobicContact CD2-CB 4.38Å; L295-L303 HydrophobicContact CD2-CD1 4.46Å; L295-A304 HydrophobicContact CB-CB 3.91Å; L295-H307 HydrophobicContact CD1-CB 4.49Å; L295-H307 WeakPolarHBondContact CD1-CD2 3.17Å
296	Q	93.2	Very high	93.5	Very high	21 Å²	21	64.9 Å²	64.9	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.4	175.9	-71.1	178.1	-41.5	0	0	112.1	I292 D293 A298 H299 H301 A304 M336 S340	I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.97Å; D293-Q296 PolarHBondContact O-N 3.39Å; Q296-A298 VanDerWaalsContact C-N 3.29Å; Q296-A298 PolarHBondContact O-N 3.22Å; Q296-H299 PolarHBondContact O-N 2.97Å; Q296-H301 PolarHBondContact O-CE1 3.47Å; Q296-H301 VanDerWaalsContact O-CE1 3.31Å; Q296-A304 HydrophobicContact CG-CB 3.61Å; Q296-M336 PolarHBondContact NE2-O 2.96Å; Q296-S340 PolarHBondContact NE2-OG 3.45Å
297	R	90.4	Very high	94	Very high	77 Å²	77	66.6 Å²	66.6	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-34.9	174.9	-73.9	-166.7	-165.8	72.3	4.9	112.9	E129 D293 K294 H299	E129-R297 VanDerWaalsContact OE2-CD 3.24Å; E129-R297 WeakPolarHBondContact OE2-CD 3.26Å; E129-R297 IonicContact OE2-CZ 3.2Å; E129-R297 IonicContact OE2-NE 3.61Å; E129-R297 PolarHBondContact OE2-NE 3.48Å; D293-R297 PolarHBondContact O-N 3.39Å; D293-R297 PolarHBondContact O-NH1 3.21Å; D293-R297 IonicContact OD1-CZ 2.55Å; D293-R297 IonicContact OD1-NH1 2.85Å; D293-R297 PolarHBondContact OD1-NH1 3.45Å; D293-R297 IonicContact OD1-NH2 3.72Å; D293-R297 PolarHBondContact OD1-NH2 3.2Å; D293-R297 IonicContact OD2-CZ 2.84Å; D293-R297 IonicContact OD2-NH1 2.72Å; D293-R297 PolarHBondContact OD2-NH1 3.36Å; D293-R297 IonicContact OD2-NH2 2.72Å; D293-R297 PolarHBondContact OD2-NH2 3.12Å; K294-R297 PolarHBondContact O-N 3.36Å; R297-H299 PolarHBondContact O-N 3.35Å; R297-H299 VanDerWaalsContact O-N 3.16Å
298	A	93.4	Very high	94.4	Very high	57 Å²	57	61.4 Å²	61.4	47%	0.471	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	9.1	175.1	0	0	0	0	0	113.5	K294 L295 Q296 Q300	K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 2.99Å; L295-A298 CarbonylContact O-C 3.6Å; L295-A298 PolarHBondContact O-N 3.11Å; Q296-A298 VanDerWaalsContact C-N 3.29Å; Q296-A298 PolarHBondContact O-N 3.22Å; A298-Q300 HydrophobicContact CB-CG 4.22Å; A298-Q300 PolarHBondContact O-N 2.88Å
299	H	90.6	Very high	94.6	Very high	148 Å²	148	61.5 Å²	61.5	69%	0.685	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	24.1	-173.5	-60.5	-71.6	0	0	0	114.5	L295 Q296 R297 H301	L295-H299 PolarHBondContact O-N 2.88Å; Q296-H299 PolarHBondContact O-N 2.97Å; R297-H299 PolarHBondContact O-N 3.35Å; R297-H299 VanDerWaalsContact O-N 3.16Å; H299-H301 VanDerWaalsContact C-N 3.31Å; H299-H301 AromaticContact ND1-NE2 3.66Å; H299-H301 PolarHBondContact O-N 3.14Å
300	Q	95.7	Very high	94.8	Very high	93 Å²	93	65 Å²	65	44%	0.435	31%	0.312	S	S	.	.			trans	-93.2	60.3	177.2	-64.2	-177.7	-11.3	0	0	110.4	L295 A298 E302 L303 A304	L295-Q300 HydrophobicContact CB-CB 4.38Å; L295-Q300 HydrophobicContact CD2-CB 4.31Å; L295-Q300 PolarHBondContact O-N 2.98Å; A298-Q300 HydrophobicContact CB-CG 4.22Å; A298-Q300 PolarHBondContact O-N 2.88Å; Q300-E302 PolarHBondContact O-N 3.42Å; Q300-L303 HydrophobicContact CB-CB 4.45Å; Q300-L303 HydrophobicContact CB-CD1 4.38Å; Q300-L303 PolarHBondContact O-N 2.98Å; Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3.28Å
301	H	95.7	Very high	95	Very high	24 Å²	24	61.9 Å²	61.9	11%	0.111	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-32.3	-170.6	-60.3	-65.4	0	0	0	113.8	Q296 H299 A304 A305 E343 L344	Q296-H301 PolarHBondContact O-CE1 3.47Å; Q296-H301 VanDerWaalsContact O-CE1 3.31Å; H299-H301 VanDerWaalsContact C-N 3.31Å; H299-H301 AromaticContact ND1-NE2 3.66Å; H299-H301 PolarHBondContact O-N 3.14Å; H301-A304 PolarHBondContact O-N 3.33Å; H301-A305 WeakPolarHBondContact O-CB 3.42Å; H301-A305 PolarHBondContact O-N 2.85Å; H301-E343 HydrophobicContact CB-CB 4.33Å; H301-E343 VanDerWaalsContact CD2-CB 3.46Å; H301-E343 WeakPolarHBondContact CD2-CB 3.49Å; H301-L344 HydrophobicContact CB-CD1 4.43Å; H301-L344 HydrophobicContact CB-CD2 3.86Å; H301-L344 HydrophobicContact CB-CG 3.87Å
302	E	96.9	Very high	95.1	Very high	148 Å²	148	58.6 Å²	58.6	69%	0.692	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-45.7	174.8	-62.3	-178.2	174.8	0	0	111.9	Q300 A305 K306 L344	Q300-E302 PolarHBondContact O-N 3.42Å; E302-A305 PolarHBondContact O-N 3.36Å; E302-K306 PolarHBondContact O-N 3.41Å; E302-K306 VanDerWaalsContact O-N 3.07Å; E302-L344 HydrophobicContact CG-CD1 4.28Å; E302-L344 HydrophobicContact CG-CD2 3.58Å
303	L	96.8	Very high	95.2	Very high	83 Å²	83	64.9 Å²	64.9	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-43.3	176.2	-67.4	178.2	0	0	0	110.7	L295 Q300 A305 K306 H307	L295-L303 HydrophobicContact CD1-CB 4.11Å; L295-L303 HydrophobicContact CD2-CB 4.38Å; L295-L303 HydrophobicContact CD2-CD1 4.46Å; Q300-L303 HydrophobicContact CB-CB 4.45Å; Q300-L303 HydrophobicContact CB-CD1 4.38Å; Q300-L303 PolarHBondContact O-N 2.98Å; L303-A305 VanDerWaalsContact C-N 3.34Å; L303-A305 PolarHBondContact O-N 3.33Å; L303-K306 PolarHBondContact O-N 2.92Å; L303-H307 WeakPolarHBondContact O-CB 3.5Å; L303-H307 PolarHBondContact O-CD2 3.02Å; L303-H307 PolarHBondContact O-N 3.12Å
304	A	96.8	Very high	95.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.3	-46.7	176.6	0	0	0	0	0	111.8	I292 L295 Q296 Q300 H301 H307 A308	I292-A304 HydrophobicContact CG2-CB 3.94Å; L295-A304 HydrophobicContact CB-CB 3.91Å; Q296-A304 HydrophobicContact CG-CB 3.61Å; Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3.28Å; H301-A304 PolarHBondContact O-N 3.33Å; A304-H307 PolarHBondContact O-N 2.88Å; A304-A308 WeakPolarHBondContact O-CB 3.31Å; A304-A308 PolarHBondContact O-N 3.37Å
305	A	96.9	Very high	95.3	Very high	6 Å²	6	60.4 Å²	60.4	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-49.9	176.3	0	0	0	0	0	111.4	H301 E302 L303 H307 A308 E309 L337	H301-A305 WeakPolarHBondContact O-CB 3.42Å; H301-A305 PolarHBondContact O-N 2.85Å; E302-A305 PolarHBondContact O-N 3.36Å; L303-A305 VanDerWaalsContact C-N 3.34Å; L303-A305 PolarHBondContact O-N 3.33Å; A305-H307 VanDerWaalsContact C-N 3.34Å; A305-H307 PolarHBondContact O-N 3.02Å; A305-A308 WeakPolarHBondContact O-CB 3.42Å; A305-A308 PolarHBondContact O-N 3.45Å; A305-A308 VanDerWaalsContact O-N 3.11Å; A305-E309 WeakPolarHBondContact O-CG 3.33Å; A305-E309 PolarHBondContact O-N 3.4Å; A305-L337 HydrophobicContact CB-CD1 4.09Å
306	K	97.3	Very high	95.2	Very high	130 Å²	130	64.6 Å²	64.6	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-59.3	-41.3	177.7	-173.7	176.9	-176.8	175.6	0	112.9	E302 L303 N310	E302-K306 PolarHBondContact O-N 3.41Å; E302-K306 VanDerWaalsContact O-N 3.07Å; L303-K306 PolarHBondContact O-N 2.92Å; K306-N310 WeakPolarHBondContact O-CB 3.35Å; K306-N310 VanDerWaalsContact O-CG 3.24Å; K306-N310 PolarHBondContact O-N 3.45Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-ND2 2.8Å
307	H	97.1	Very high	95.1	Very high	77 Å²	77	69 Å²	69	36%	0.356	34%	0.339	S	S	.	.	H	α-helix	trans	-69	-37.1	176.5	-80.2	-73.7	0	0	0	112.1	H291 I292 L295 L303 A304 A305 L311	H291-H307 AromaticContact NE2-NE2 3.94Å; I292-H307 HydrophobicContact CD1-CB 4.37Å; I292-H307 HydrophobicContact CG1-CB 3.69Å; L295-H307 HydrophobicContact CD1-CB 4.49Å; L295-H307 WeakPolarHBondContact CD1-CD2 3.17Å; L303-H307 WeakPolarHBondContact O-CB 3.5Å; L303-H307 PolarHBondContact O-CD2 3.02Å; L303-H307 PolarHBondContact O-N 3.12Å; A304-H307 PolarHBondContact O-N 2.88Å; A305-H307 VanDerWaalsContact C-N 3.34Å; A305-H307 PolarHBondContact O-N 3.02Å; H307-L311 VanDerWaalsContact O-CB 3.28Å; H307-L311 WeakPolarHBondContact O-CB 3.5Å; H307-L311 PolarHBondContact O-N 3.41Å
308	A	97.2	Very high	95.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-42.7	174.8	0	0	0	0	0	112.1	I292 A304 A305 L311 L312 I333 L337	I292-A308 HydrophobicContact CD1-CB 4.04Å; I292-A308 HydrophobicContact CG2-CB 4.31Å; A304-A308 WeakPolarHBondContact O-CB 3.31Å; A304-A308 PolarHBondContact O-N 3.37Å; A305-A308 WeakPolarHBondContact O-CB 3.42Å; A305-A308 PolarHBondContact O-N 3.45Å; A305-A308 VanDerWaalsContact O-N 3.11Å; A308-L311 PolarHBondContact O-N 2.95Å; A308-L312 WeakPolarHBondContact O-CB 3.34Å; A308-L312 PolarHBondContact O-N 3.39Å; A308-I333 WeakPolarHBondContact O-CG2 3.42Å; A308-L337 HydrophobicContact CB-CB 4.2Å; A308-L337 HydrophobicContact CB-CD1 4.28Å
309	E	97.2	Very high	94.7	Very high	87 Å²	87	68.4 Å²	68.4	41%	0.407	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.8	-73.9	170.3	-176.2	0	0	111.9	A305 L311 L312 H313 L337	A305-E309 WeakPolarHBondContact O-CG 3.33Å; A305-E309 PolarHBondContact O-N 3.4Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.27Å; E309-L312 WeakPolarHBondContact O-CB 3.4Å; E309-L312 PolarHBondContact O-N 3.31Å; E309-H313 PolarHBondContact O-CD2 3.35Å; E309-H313 PolarHBondContact O-N 3.47Å; E309-L337 HydrophobicContact CG-CD1 3.73Å; E309-L337 HydrophobicContact CG-CD2 4.2Å
310	N	96.3	Very high	94.5	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.6	-73.2	-35.9	0	0	0	111.7	K306 L312 H313 E314	K306-N310 WeakPolarHBondContact O-CB 3.35Å; K306-N310 VanDerWaalsContact O-CG 3.24Å; K306-N310 PolarHBondContact O-N 3.45Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-ND2 2.8Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-H313 PolarHBondContact O-N 2.83Å; N310-E314 PolarHBondContact O-N 3.42Å
311	L	95.9	Very high	93.9	Very high	3 Å²	3	64 Å²	64	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-38.7	176.2	-178.4	59.4	0	0	0	111.7	V285 K288 L289 I292 H307 A308 E309 E314 V315 I333	V285-L311 HydrophobicContact CG1-CD1 4.26Å; V285-L311 HydrophobicContact CG1-CD2 4.47Å; V285-L311 HydrophobicContact CG2-CD1 3.97Å; K288-L311 HydrophobicContact CB-CD1 4.05Å; K288-L311 HydrophobicContact CB-CD2 3.94Å; K288-L311 HydrophobicContact CD-CD1 3.71Å; L289-L311 HydrophobicContact CD2-CD2 3.63Å; L289-L311 HydrophobicContact CG-CD2 3.91Å; I292-L311 HydrophobicContact CD1-CB 4.44Å; I292-L311 HydrophobicContact CD1-CD2 3.73Å; H307-L311 VanDerWaalsContact O-CB 3.28Å; H307-L311 WeakPolarHBondContact O-CB 3.5Å; H307-L311 PolarHBondContact O-N 3.41Å; A308-L311 PolarHBondContact O-N 2.95Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.27Å; L311-E314 PolarHBondContact O-N 3.24Å; L311-V315 HydrophobicContact CD1-CG2 4.07Å; L311-V315 HydrophobicContact CG-CG2 4.46Å; L311-V315 WeakPolarHBondContact O-CG2 3.36Å; L311-V315 PolarHBondContact O-N 3.11Å; L311-I333 HydrophobicContact CD2-CD1 4.17Å; L311-I333 HydrophobicContact CD2-CG1 3.94Å; L311-I333 HydrophobicContact CG-CD1 3.84Å; L311-I333 HydrophobicContact CG-CG1 4.11Å
312	L	96	Very high	93.2	Very high	14 Å²	14	69.9 Å²	69.9	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.1	-174.9	64	0	0	0	111	A308 E309 N310 E314 V315 K316 L330 I333 Y334	A308-L312 WeakPolarHBondContact O-CB 3.34Å; A308-L312 PolarHBondContact O-N 3.39Å; E309-L312 WeakPolarHBondContact O-CB 3.4Å; E309-L312 PolarHBondContact O-N 3.31Å; N310-L312 VanDerWaalsContact C-N 3.34Å; L312-E314 VanDerWaalsContact C-N 3.34Å; L312-E314 PolarHBondContact O-N 3.22Å; L312-V315 PolarHBondContact O-N 3.48Å; L312-K316 HydrophobicContact CD1-CD 4.43Å; L312-K316 HydrophobicContact CD1-CG 4.43Å; L312-K316 HydrophobicContact CG-CD 4.19Å; L312-K316 WeakPolarHBondContact O-CB 3.28Å; L312-K316 VanDerWaalsContact O-CG 3.27Å; L312-K316 WeakPolarHBondContact O-CG 3.31Å; L312-K316 PolarHBondContact O-N 3.19Å; L312-L330 HydrophobicContact CD1-CD2 3.82Å; L312-I333 HydrophobicContact CB-CG2 3.7Å; L312-I333 HydrophobicContact CD1-CB 4.35Å; L312-I333 HydrophobicContact CD1-CG2 3.99Å; L312-I333 HydrophobicContact CG-CG2 4.39Å; L312-Y334 HydrophobicContact CD1-CD1 4.44Å; L312-Y334 HydrophobicContact CD1-CD2 4.3Å; L312-Y334 HydrophobicContact CD1-CE1 4.13Å; L312-Y334 HydrophobicContact CD1-CE2 4Å; L312-Y334 HydrophobicContact CD2-CD1 4.02Å; L312-Y334 HydrophobicContact CD2-CE1 3.49Å; L312-Y334 VanDerWaalsContact CD2-CE1 3.49Å; L312-Y334 HydrophobicContact CG-CE1 4.45Å
313	H	95.4	Very high	92.4	Very high	134 Å²	134	63.7 Å²	63.7	62%	0.62	33%	0.326	S	S	*	.	H	α-helix	trans	-59.6	-44.7	175.3	-81.2	-67.4	0	0	0	111.7	E309 N310 T317	E309-H313 PolarHBondContact O-CD2 3.35Å; E309-H313 PolarHBondContact O-N 3.47Å; N310-H313 PolarHBondContact O-N 2.83Å; H313-T317 WeakPolarHBondContact O-CG2 3.35Å
314	E	93.5	Very high	91.7	Very high	66 Å²	66	63.6 Å²	63.6	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-50.8	177.1	179.8	-179.7	169	0	0	112.1	K288 N310 L311 L312 K316 T317 W318	K288-E314 IonicContact NZ-OE1 2.73Å; K288-E314 PolarHBondContact NZ-OE1 3.3Å; K288-E314 IonicContact NZ-OE2 3.61Å; K288-E314 PolarHBondContact NZ-OE2 3.09Å; N310-E314 PolarHBondContact O-N 3.42Å; L311-E314 PolarHBondContact O-N 3.24Å; L312-E314 VanDerWaalsContact C-N 3.34Å; L312-E314 PolarHBondContact O-N 3.22Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 3.21Å; E314-T317 PolarHBondContact O-N 2.97Å; E314-T317 VanDerWaalsContact O-N 3.15Å; E314-T317 PolarHBondContact O-OG1 3.35Å; E314-W318 PolarHBondContact O-NE1 3.49Å
315	V	92.9	Very high	91.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-35.7	-177.7	173.9	0	0	0	0	111.6	V285 L311 L312 T317 W318 Y326 I329 L330 I333	V285-V315 HydrophobicContact CG1-CG2 4.43Å; V285-V315 HydrophobicContact CG2-CG2 3.85Å; L311-V315 HydrophobicContact CD1-CG2 4.07Å; L311-V315 HydrophobicContact CG-CG2 4.46Å; L311-V315 WeakPolarHBondContact O-CG2 3.36Å; L311-V315 PolarHBondContact O-N 3.11Å; L312-V315 PolarHBondContact O-N 3.48Å; V315-T317 PolarHBondContact O-N 3.5Å; V315-T317 VanDerWaalsContact O-N 3.15Å; V315-W318 HydrophobicContact CB-CD2 4.45Å; V315-W318 HydrophobicContact CB-CE3 4.4Å; V315-W318 HydrophobicContact CG1-CD2 4.32Å; V315-W318 HydrophobicContact CG1-CE3 3.87Å; V315-W318 HydrophobicContact CG1-CZ3 4.31Å; V315-W318 HydrophobicContact CG2-CD2 4.43Å; V315-W318 HydrophobicContact CG2-CE3 4.27Å; V315-W318 HydrophobicContact CG2-CH2 4.23Å; V315-W318 HydrophobicContact CG2-CZ2 4.25Å; V315-W318 HydrophobicContact CG2-CZ3 4.17Å; V315-W318 VanDerWaalsContact O-CB 3.27Å; V315-W318 WeakPolarHBondContact O-CB 3.32Å; V315-W318 PolarHBondContact O-N 3.24Å; V315-Y326 HydrophobicContact CG1-CD2 4.33Å; V315-Y326 HydrophobicContact CG1-CE2 3.9Å; V315-Y326 WeakPolarHBondContact O-CE2 3.34Å; V315-I329 HydrophobicContact CG1-CG2 4.07Å; V315-I329 HydrophobicContact CG2-CG2 4.31Å; V315-L330 HydrophobicContact CB-CD2 4.25Å; V315-L330 HydrophobicContact CG1-CD2 3.68Å; V315-L330 HydrophobicContact CG1-CG 4.12Å; V315-I333 HydrophobicContact CB-CD1 3.99Å; V315-I333 HydrophobicContact CG1-CD1 4.31Å; V315-I333 HydrophobicContact CG2-CD1 3.75Å
316	K	93.2	Very high	90.8	Very high	101 Å²	101	69 Å²	69	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-19.9	175	-79.7	-179.6	176.5	179.6	0	114.1	L312 E314 W318 L330 Y334	L312-K316 HydrophobicContact CD1-CD 4.43Å; L312-K316 HydrophobicContact CD1-CG 4.43Å; L312-K316 HydrophobicContact CG-CD 4.19Å; L312-K316 WeakPolarHBondContact O-CB 3.28Å; L312-K316 VanDerWaalsContact O-CG 3.27Å; L312-K316 WeakPolarHBondContact O-CG 3.31Å; L312-K316 PolarHBondContact O-N 3.19Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 3.21Å; K316-W318 VanDerWaalsContact C-N 3.28Å; K316-L330 HydrophobicContact CG-CD2 4.01Å; K316-Y334 WeakPolarHBondContact CE-OH 3.49Å; K316-Y334 PolarHBondContact NZ-OH 3.22Å
317	T	92.1	Very high	90.6	Very high	115 Å²	115	67 Å²	67	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.4	174.4	66.4	0	0	0	0	113.5	H313 E314 V315	H313-T317 WeakPolarHBondContact O-CG2 3.35Å; E314-T317 PolarHBondContact O-N 2.97Å; E314-T317 VanDerWaalsContact O-N 3.15Å; E314-T317 PolarHBondContact O-OG1 3.35Å; V315-T317 PolarHBondContact O-N 3.5Å; V315-T317 VanDerWaalsContact O-N 3.15Å
318	W	89.5	Confident	90.4	Very high	47 Å²	47	66.7 Å²	66.7	18%	0.178	35%	0.347	C	S	.	.	S	Bend	trans	-77.5	149.2	-179.1	-59.3	-6.7	0	0	0	111.5	E281 V285 E314 V315 K316 S320 V323 Y326	E281-W318 HydrophobicContact CB-CH2 3.95Å; E281-W318 HydrophobicContact CB-CZ2 4.03Å; V285-W318 HydrophobicContact CB-CH2 4.13Å; V285-W318 HydrophobicContact CG2-CH2 3.1Å; V285-W318 HydrophobicContact CG2-CZ2 3.54Å; V285-W318 HydrophobicContact CG2-CZ3 3.98Å; E314-W318 PolarHBondContact O-NE1 3.49Å; V315-W318 HydrophobicContact CB-CD2 4.45Å; V315-W318 HydrophobicContact CB-CE3 4.4Å; V315-W318 HydrophobicContact CG1-CD2 4.32Å; V315-W318 HydrophobicContact CG1-CE3 3.87Å; V315-W318 HydrophobicContact CG1-CZ3 4.31Å; V315-W318 HydrophobicContact CG2-CD2 4.43Å; V315-W318 HydrophobicContact CG2-CE3 4.27Å; V315-W318 HydrophobicContact CG2-CH2 4.23Å; V315-W318 HydrophobicContact CG2-CZ2 4.25Å; V315-W318 HydrophobicContact CG2-CZ3 4.17Å; V315-W318 VanDerWaalsContact O-CB 3.27Å; V315-W318 WeakPolarHBondContact O-CB 3.32Å; V315-W318 PolarHBondContact O-N 3.24Å; K316-W318 VanDerWaalsContact C-N 3.28Å; W318-S320 PolarHBondContact O-N 2.86Å; W318-V323 HydrophobicContact CB-CG2 4.45Å; W318-V323 HydrophobicContact CD2-CG2 4.48Å; W318-V323 HydrophobicContact CE3-CB 4.48Å; W318-V323 HydrophobicContact CE3-CG1 4.15Å; W318-V323 HydrophobicContact CE3-CG2 3.87Å; W318-V323 HydrophobicContact CZ3-CG1 4.07Å; W318-V323 HydrophobicContact CZ3-CG2 4.38Å; W318-Y326 HydrophobicContact CB-CE2 4.05Å
319	D	86.2	Confident	90.1	Very high	74 Å²	74	67.5 Å²	67.5	40%	0.396	35%	0.351	S	S	.	.			trans	-74.1	114.9	169.5	-179.2	-2.4	0	0	0	109.4	S321 Q322	D319-S321 PolarHBondContact O-N 3.42Å; D319-S321 VanDerWaalsContact O-N 3.13Å; D319-S321 WeakPolarHBondContact OD1-CB 3.42Å; D319-S321 PolarHBondContact OD1-N 2.92Å; D319-S321 PolarHBondContact OD1-OG 3.49Å; D319-S321 PolarHBondContact OD2-OG 3.5Å; D319-Q322 HydrophobicContact CB-CB 4.47Å; D319-Q322 HydrophobicContact CB-CG 4.09Å; D319-Q322 PolarHBondContact O-N 2.98Å; D319-Q322 VanDerWaalsContact O-N 3.08Å; D319-Q322 PolarHBondContact OD2-NE2 2.98Å
320	S	85.3	Confident	90	Very high	50 Å²	50	63.9 Å²	63.9	35%	0.35	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.4	-178	63.2	0	0	0	0	112.9	W318 Q322 Y326	W318-S320 PolarHBondContact O-N 2.86Å; S320-Q322 VanDerWaalsContact C-N 3.33Å; S320-Y326 VanDerWaalsContact CB-CD1 3.44Å
321	S	83.8	Confident	90	Very high	97 Å²	97	59.8 Å²	59.8	68%	0.678	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.7	178.6	71.9	0	0	0	0	113.7	D319	D319-S321 PolarHBondContact O-N 3.42Å; D319-S321 VanDerWaalsContact O-N 3.13Å; D319-S321 WeakPolarHBondContact OD1-CB 3.42Å; D319-S321 PolarHBondContact OD1-N 2.92Å; D319-S321 PolarHBondContact OD1-OG 3.49Å; D319-S321 PolarHBondContact OD2-OG 3.5Å
322	Q	80.3	Confident	89.9	Confident	148 Å²	148	62.1 Å²	62.1	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.2	-174.4	-63.5	-177.4	25.1	0	0	113.5	D319 S320	D319-Q322 HydrophobicContact CB-CB 4.47Å; D319-Q322 HydrophobicContact CB-CG 4.09Å; D319-Q322 PolarHBondContact O-N 2.98Å; D319-Q322 VanDerWaalsContact O-N 3.08Å; D319-Q322 PolarHBondContact OD2-NE2 2.98Å; S320-Q322 VanDerWaalsContact C-N 3.33Å
323	V	81.2	Confident	89.9	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.115	32%	0.322	C	S	.	.	S	Bend	trans	-109.2	110.7	-173.9	-176.8	0	0	0	0	109.8	I282 W318 N325 Y326 I329	I282-V323 HydrophobicContact CD1-CG1 4.42Å; I282-V323 HydrophobicContact CG1-CG1 4.32Å; W318-V323 HydrophobicContact CB-CG2 4.45Å; W318-V323 HydrophobicContact CD2-CG2 4.48Å; W318-V323 HydrophobicContact CE3-CB 4.48Å; W318-V323 HydrophobicContact CE3-CG1 4.15Å; W318-V323 HydrophobicContact CE3-CG2 3.87Å; W318-V323 HydrophobicContact CZ3-CG1 4.07Å; W318-V323 HydrophobicContact CZ3-CG2 4.38Å; V323-N325 PolarHBondContact O-N 3.08Å; V323-Y326 HydrophobicContact CB-CD2 4.4Å; V323-Y326 WeakPolarHBondContact O-CB 3.49Å; V323-Y326 PolarHBondContact O-N 2.94Å; V323-I329 HydrophobicContact CG1-CD1 4.21Å
324	S	80.9	Confident	90	Very high	80 Å²	80	57 Å²	57	56%	0.559	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	136.1	168.7	57.4	0	0	0	0	109.8	Y326	S324-Y326 VanDerWaalsContact C-N 3.25Å; S324-Y326 PolarHBondContact O-N 3.29Å
325	N	84.8	Confident	90.1	Very high	97 Å²	97	54.8 Å²	54.8	52%	0.519	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	22.6	178.6	-55.6	18.9	0	0	0	114.1	V323 Y327 E328 I329	V323-N325 PolarHBondContact O-N 3.08Å; N325-Y327 VanDerWaalsContact C-N 3.29Å; N325-Y327 PolarHBondContact O-N 3.41Å; N325-E328 HydrophobicContact CB-CB 4.22Å; N325-E328 HydrophobicContact CB-CG 4.4Å; N325-E328 VanDerWaalsContact CB-OE2 3.28Å; N325-E328 WeakPolarHBondContact CB-OE2 3.33Å; N325-E328 PolarHBondContact ND2-OE2 3.17Å; N325-E328 WeakPolarHBondContact O-CB 3.28Å; N325-E328 PolarHBondContact O-N 3.4Å; N325-E328 VanDerWaalsContact O-N 3.1Å; N325-I329 WeakPolarHBondContact O-CG1 3.4Å; N325-I329 PolarHBondContact O-N 2.9Å
326	Y	91.2	Very high	90.2	Very high	24 Å²	24	55 Å²	55	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-47.1	-49	177.4	176.9	-102.8	0	0	0	113.4	V315 W318 S320 V323 S324 I329 L330	V315-Y326 HydrophobicContact CG1-CD2 4.33Å; V315-Y326 HydrophobicContact CG1-CE2 3.9Å; V315-Y326 WeakPolarHBondContact O-CE2 3.34Å; W318-Y326 HydrophobicContact CB-CE2 4.05Å; S320-Y326 VanDerWaalsContact CB-CD1 3.44Å; V323-Y326 HydrophobicContact CB-CD2 4.4Å; V323-Y326 WeakPolarHBondContact O-CB 3.49Å; V323-Y326 PolarHBondContact O-N 2.94Å; S324-Y326 VanDerWaalsContact C-N 3.25Å; S324-Y326 PolarHBondContact O-N 3.29Å; Y326-I329 WeakPolarHBondContact O-CB 3.48Å; Y326-I329 PolarHBondContact O-N 2.8Å; Y326-L330 HydrophobicContact CD1-CD1 3.99Å; Y326-L330 HydrophobicContact CE1-CD1 3.3Å; Y326-L330 HydrophobicContact CE1-CG 4.17Å; Y326-L330 HydrophobicContact CE2-CD1 4.32Å; Y326-L330 HydrophobicContact CE2-CG 4.44Å; Y326-L330 PolarHBondContact O-N 2.88Å
327	Y	93.2	Very high	90.4	Very high	86 Å²	86	51.1 Å²	51.1	34%	0.337	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-33	-178.4	-59.1	-68.7	0	0	0	113.3	N325 I329 L330 A331 L360 N364	N325-Y327 VanDerWaalsContact C-N 3.29Å; N325-Y327 PolarHBondContact O-N 3.41Å; Y327-I329 VanDerWaalsContact C-N 3.35Å; Y327-L330 PolarHBondContact O-N 3.33Å; Y327-A331 VanDerWaalsContact O-CB 3.31Å; Y327-A331 WeakPolarHBondContact O-CB 3.41Å; Y327-A331 PolarHBondContact O-N 2.81Å; Y327-L360 HydrophobicContact CD1-CD2 3.93Å; Y327-N364 HydrophobicContact CD2-CB 4.28Å; Y327-N364 VanDerWaalsContact CD2-CG 3.45Å; Y327-N364 WeakPolarHBondContact CD2-OD1 3.42Å; Y327-N364 WeakPolarHBondContact CE2-OD1 3.35Å; Y327-N364 HydrophobicContact CG-CB 4.33Å; Y327-N364 VanDerWaalsContact CG-CG 3.47Å
328	E	91.5	Very high	90.6	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-40.2	171.8	-65.3	177	172.9	0	0	111.1	N325 A331 N332 L366	N325-E328 HydrophobicContact CB-CB 4.22Å; N325-E328 HydrophobicContact CB-CG 4.4Å; N325-E328 VanDerWaalsContact CB-OE2 3.28Å; N325-E328 WeakPolarHBondContact CB-OE2 3.33Å; N325-E328 PolarHBondContact ND2-OE2 3.17Å; N325-E328 WeakPolarHBondContact O-CB 3.28Å; N325-E328 PolarHBondContact O-N 3.4Å; N325-E328 VanDerWaalsContact O-N 3.1Å; E328-A331 PolarHBondContact O-N 3.39Å; E328-N332 WeakPolarHBondContact O-CB 3.4Å; E328-N332 PolarHBondContact O-N 2.65Å; E328-N332 PolarHBondContact O-ND2 3Å; E328-N332 VanDerWaalsContact O-ND2 3.12Å; E328-L366 HydrophobicContact CG-CD1 3.76Å; E328-L366 HydrophobicContact CG-CD2 3.83Å; E328-L366 HydrophobicContact CG-CG 4.39Å
329	I	92.3	Very high	90.9	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-49.3	176.2	-66.5	169.2	0	0	0	110.1	V285 V315 V323 N325 Y326 Y327 A331 N332 I333	V285-I329 HydrophobicContact CG1-CG2 3.69Å; V315-I329 HydrophobicContact CG1-CG2 4.07Å; V315-I329 HydrophobicContact CG2-CG2 4.31Å; V323-I329 HydrophobicContact CG1-CD1 4.21Å; N325-I329 WeakPolarHBondContact O-CG1 3.4Å; N325-I329 PolarHBondContact O-N 2.9Å; Y326-I329 WeakPolarHBondContact O-CB 3.48Å; Y326-I329 PolarHBondContact O-N 2.8Å; Y327-I329 VanDerWaalsContact C-N 3.35Å; I329-A331 PolarHBondContact O-N 3.16Å; I329-N332 PolarHBondContact O-N 3.05Å; I329-I333 HydrophobicContact CG2-CD1 3.88Å; I329-I333 VanDerWaalsContact O-CG1 3.28Å; I329-I333 WeakPolarHBondContact O-CG1 3.45Å; I329-I333 PolarHBondContact O-N 3.06Å
330	L	95.2	Very high	91.4	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-47.4	177	-78.1	179.7	0	0	0	111.9	L312 V315 K316 Y326 Y327 N332 I333 Y334 L360	L312-L330 HydrophobicContact CD1-CD2 3.82Å; V315-L330 HydrophobicContact CB-CD2 4.25Å; V315-L330 HydrophobicContact CG1-CD2 3.68Å; V315-L330 HydrophobicContact CG1-CG 4.12Å; K316-L330 HydrophobicContact CG-CD2 4.01Å; Y326-L330 HydrophobicContact CD1-CD1 3.99Å; Y326-L330 HydrophobicContact CE1-CD1 3.3Å; Y326-L330 HydrophobicContact CE1-CG 4.17Å; Y326-L330 HydrophobicContact CE2-CD1 4.32Å; Y326-L330 HydrophobicContact CE2-CG 4.44Å; Y326-L330 PolarHBondContact O-N 2.88Å; Y327-L330 PolarHBondContact O-N 3.33Å; L330-N332 VanDerWaalsContact C-N 3.31Å; L330-N332 PolarHBondContact O-N 2.91Å; L330-I333 PolarHBondContact O-N 3.21Å; L330-Y334 VanDerWaalsContact O-CD2 3.24Å; L330-Y334 WeakPolarHBondContact O-CD2 3.44Å; L330-Y334 PolarHBondContact O-N 2.99Å; L330-L360 HydrophobicContact CB-CD1 3.67Å
331	A	95.2	Very high	92	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-38.8	179	0	0	0	0	0	112.3	Y327 E328 I329 Y334 S335 A357 L360 V369	Y327-A331 VanDerWaalsContact O-CB 3.31Å; Y327-A331 WeakPolarHBondContact O-CB 3.41Å; Y327-A331 PolarHBondContact O-N 2.81Å; E328-A331 PolarHBondContact O-N 3.39Å; I329-A331 PolarHBondContact O-N 3.16Å; A331-Y334 PolarHBondContact O-N 3.3Å; A331-S335 WeakPolarHBondContact O-CB 3.32Å; A331-S335 PolarHBondContact O-N 3.11Å; A331-A357 HydrophobicContact CB-CB 4.27Å; A331-L360 HydrophobicContact CB-CB 4.41Å; A331-L360 HydrophobicContact CB-CD1 4.25Å; A331-V369 HydrophobicContact CB-CB 4.43Å; A331-V369 HydrophobicContact CB-CG1 3.47Å; A331-V369 VanDerWaalsContact CB-CG1 3.47Å; A331-V369 HydrophobicContact CB-CG2 4.05Å
332	N	93.2	Very high	92.6	Very high	53 Å²	53	35.6 Å²	35.6	28%	0.283	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-40.9	174.2	-75.8	-30.8	0	0	0	112.1	E328 I329 L330 S335 M336	E328-N332 WeakPolarHBondContact O-CB 3.4Å; E328-N332 PolarHBondContact O-N 2.65Å; E328-N332 PolarHBondContact O-ND2 3Å; E328-N332 VanDerWaalsContact O-ND2 3.12Å; I329-N332 PolarHBondContact O-N 3.05Å; L330-N332 VanDerWaalsContact C-N 3.31Å; L330-N332 PolarHBondContact O-N 2.91Å; N332-S335 PolarHBondContact O-N 3.48Å; N332-M336 WeakPolarHBondContact O-CG 3.48Å; N332-M336 PolarHBondContact O-N 2.94Å
333	I	96.1	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-47.1	176.4	-63.4	160.4	0	0	0	110.4	L289 A308 L311 L312 V315 I329 L330 S335 M336 L337	L289-I333 HydrophobicContact CD2-CG1 3.79Å; A308-I333 WeakPolarHBondContact O-CG2 3.42Å; L311-I333 HydrophobicContact CD2-CD1 4.17Å; L311-I333 HydrophobicContact CD2-CG1 3.94Å; L311-I333 HydrophobicContact CG-CD1 3.84Å; L311-I333 HydrophobicContact CG-CG1 4.11Å; L312-I333 HydrophobicContact CB-CG2 3.7Å; L312-I333 HydrophobicContact CD1-CB 4.35Å; L312-I333 HydrophobicContact CD1-CG2 3.99Å; L312-I333 HydrophobicContact CG-CG2 4.39Å; V315-I333 HydrophobicContact CB-CD1 3.99Å; V315-I333 HydrophobicContact CG1-CD1 4.31Å; V315-I333 HydrophobicContact CG2-CD1 3.75Å; I329-I333 HydrophobicContact CG2-CD1 3.88Å; I329-I333 VanDerWaalsContact O-CG1 3.28Å; I329-I333 WeakPolarHBondContact O-CG1 3.45Å; I329-I333 PolarHBondContact O-N 3.06Å; L330-I333 PolarHBondContact O-N 3.21Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 3.25Å; I333-M336 PolarHBondContact O-N 3.07Å; I333-L337 PolarHBondContact O-N 3.35Å
334	Y	97.9	Very high	94	Very high	39 Å²	39	34.6 Å²	34.6	15%	0.153	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-43.4	175.1	-82.3	-58.7	0	0	0	112.2	L312 K316 L330 A331 M336 L337 G338 A353 A356 L360	L312-Y334 HydrophobicContact CD1-CD1 4.44Å; L312-Y334 HydrophobicContact CD1-CD2 4.3Å; L312-Y334 HydrophobicContact CD1-CE1 4.13Å; L312-Y334 HydrophobicContact CD1-CE2 4Å; L312-Y334 HydrophobicContact CD2-CD1 4.02Å; L312-Y334 HydrophobicContact CD2-CE1 3.49Å; L312-Y334 VanDerWaalsContact CD2-CE1 3.49Å; L312-Y334 HydrophobicContact CG-CE1 4.45Å; K316-Y334 WeakPolarHBondContact CE-OH 3.49Å; K316-Y334 PolarHBondContact NZ-OH 3.22Å; L330-Y334 VanDerWaalsContact O-CD2 3.24Å; L330-Y334 WeakPolarHBondContact O-CD2 3.44Å; L330-Y334 PolarHBondContact O-N 2.99Å; A331-Y334 PolarHBondContact O-N 3.3Å; Y334-M336 VanDerWaalsContact C-N 3.33Å; Y334-M336 PolarHBondContact O-N 3.24Å; Y334-L337 PolarHBondContact O-N 2.98Å; Y334-G338 PolarHBondContact O-N 2.8Å; Y334-A353 WeakPolarHBondContact CB-O 3.4Å; Y334-A353 WeakPolarHBondContact O-CB 3.48Å; Y334-A356 HydrophobicContact CD1-CB 3.89Å; Y334-A356 HydrophobicContact CD2-CB 4.09Å; Y334-A356 HydrophobicContact CE1-CB 3.83Å; Y334-A356 HydrophobicContact CE2-CB 4.02Å; Y334-A356 HydrophobicContact CG-CB 4.02Å; Y334-L360 HydrophobicContact CD2-CD1 3.73Å; Y334-L360 HydrophobicContact CE2-CD1 3.79Å
335	S	95.5	Very high	94.7	Very high	21 Å²	21	32.3 Å²	32.3	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-42.3	175.9	-173.6	0	0	0	0	112	A331 N332 I333 G338 L339 H354 N376	A331-S335 WeakPolarHBondContact O-CB 3.32Å; A331-S335 PolarHBondContact O-N 3.11Å; N332-S335 PolarHBondContact O-N 3.48Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 3.25Å; S335-G338 PolarHBondContact O-N 2.64Å; S335-L339 WeakPolarHBondContact O-CG 3.34Å; S335-L339 PolarHBondContact O-N 3.21Å; S335-H354 PolarHBondContact O-CE1 2.72Å; S335-H354 VanDerWaalsContact O-CE1 3.3Å; S335-N376 PolarHBondContact OG-ND2 2.68Å
336	M	95.2	Very high	95.2	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-36.8	176.2	-68.5	-172.6	75.7	0	0	113.1	L289 I292 D293 Q296 N332 I333 Y334 S340	L289-M336 HydrophobicContact CB-SD 4.34Å; L289-M336 HydrophobicContact CD2-SD 3.63Å; L289-M336 WeakPolarHBondContact O-CE 3.5Å; I292-M336 HydrophobicContact CB-CE 3.53Å; I292-M336 HydrophobicContact CG2-CB 4.41Å; I292-M336 HydrophobicContact CG2-CE 3.42Å; I292-M336 VanDerWaalsContact CG2-CE 3.42Å; I292-M336 HydrophobicContact CG2-SD 4.49Å; D293-M336 HydrophobicContact CB-CE 3.8Å; D293-M336 VanDerWaalsContact N-CE 3.3Å; Q296-M336 PolarHBondContact NE2-O 2.96Å; N332-M336 WeakPolarHBondContact O-CG 3.48Å; N332-M336 PolarHBondContact O-N 2.94Å; I333-M336 PolarHBondContact O-N 3.07Å; Y334-M336 VanDerWaalsContact C-N 3.33Å; Y334-M336 PolarHBondContact O-N 3.24Å; M336-S340 PolarHBondContact O-N 2.92Å; M336-S340 VanDerWaalsContact O-N 3.1Å; M336-S340 PolarHBondContact O-OG 3.46Å
337	L	97.2	Very high	95.5	Very high	18 Å²	18	33 Å²	33	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-45.5	172.7	-176.4	60.6	0	0	0	110.7	A305 A308 E309 I333 Y334 L339 S340 N341 A353	A305-L337 HydrophobicContact CB-CD1 4.09Å; A308-L337 HydrophobicContact CB-CB 4.2Å; A308-L337 HydrophobicContact CB-CD1 4.28Å; E309-L337 HydrophobicContact CG-CD1 3.73Å; E309-L337 HydrophobicContact CG-CD2 4.2Å; I333-L337 PolarHBondContact O-N 3.35Å; Y334-L337 PolarHBondContact O-N 2.98Å; L337-L339 PolarHBondContact O-N 3.15Å; L337-S340 PolarHBondContact O-N 2.98Å; L337-N341 PolarHBondContact O-N 2.95Å; L337-N341 PolarHBondContact O-ND2 2.97Å; L337-A353 HydrophobicContact CB-CB 4.41Å; L337-A353 HydrophobicContact CD2-CB 4.49Å; L337-A353 HydrophobicContact CG-CB 4.4Å
338	G	97.1	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-44.6	178	0	0	0	0	0	113	Y334 S335 S340 N341 L342 S350 H354	Y334-G338 PolarHBondContact O-N 2.8Å; S335-G338 PolarHBondContact O-N 2.64Å; G338-S340 VanDerWaalsContact C-N 3.34Å; G338-S340 PolarHBondContact O-N 3.49Å; G338-N341 PolarHBondContact O-N 3.33Å; G338-L342 WeakPolarHBondContact O-CB 3.22Å; G338-L342 PolarHBondContact O-N 3.5Å; G338-S350 WeakPolarHBondContact O-CB 3.16Å; G338-S350 PolarHBondContact O-OG 3.44Å; G338-H354 WeakPolarHBondContact CA-NE2 3.42Å
339	L	95.5	Very high	96	Very high	43 Å²	43	33.2 Å²	33.2	23%	0.225	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-39.2	174.9	-72.2	173.7	0	0	0	112.5	S335 L337 L342 E343 H354	S335-L339 WeakPolarHBondContact O-CG 3.34Å; S335-L339 PolarHBondContact O-N 3.21Å; L337-L339 PolarHBondContact O-N 3.15Å; L339-L342 PolarHBondContact O-N 3.39Å; L339-E343 PolarHBondContact O-N 3.32Å; L339-H354 PolarHBondContact N-NE2 3.46Å
340	S	96.9	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-45.3	177.6	-53.8	0	0	0	0	111.2	Q296 M336 L337 G338 L342 E343 L344	Q296-S340 PolarHBondContact NE2-OG 3.45Å; M336-S340 PolarHBondContact O-N 2.92Å; M336-S340 VanDerWaalsContact O-N 3.1Å; M336-S340 PolarHBondContact O-OG 3.46Å; L337-S340 PolarHBondContact O-N 2.98Å; G338-S340 VanDerWaalsContact C-N 3.34Å; G338-S340 PolarHBondContact O-N 3.49Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.27Å; S340-E343 PolarHBondContact O-N 2.94Å; S340-L344 WeakPolarHBondContact O-CG 3.46Å; S340-L344 PolarHBondContact O-N 2.91Å; S340-L344 VanDerWaalsContact O-N 3.1Å
341	N	97.8	Very high	96.4	Very high	12 Å²	12	33 Å²	33	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-34.9	176.7	-82.7	-53.5	0	0	0	112.7	L337 G338 E343 L344 G345 N346 E349	L337-N341 PolarHBondContact O-N 2.95Å; L337-N341 PolarHBondContact O-ND2 2.97Å; G338-N341 PolarHBondContact O-N 3.33Å; N341-E343 VanDerWaalsContact C-N 3.32Å; N341-E343 PolarHBondContact O-N 3.21Å; N341-L344 PolarHBondContact O-N 3.43Å; N341-G345 PolarHBondContact O-N 2.97Å; N341-G345 VanDerWaalsContact O-N 3.13Å; N341-N346 HydrophobicContact CB-CB 3.98Å; N341-N346 PolarHBondContact O-N 3.25Å; N341-N346 PolarHBondContact OD1-ND2 3.16Å; N341-N346 VanDerWaalsContact OD1-ND2 3.17Å; N341-E349 HydrophobicContact CB-CB 4.25Å
342	L	96.4	Very high	96.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-38.6	174.1	179.9	57.4	0	0	0	112.6	G338 L339 S340 G345 Y347 R379 V380 K383	G338-L342 WeakPolarHBondContact O-CB 3.22Å; G338-L342 PolarHBondContact O-N 3.5Å; L339-L342 PolarHBondContact O-N 3.39Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.27Å; L342-G345 PolarHBondContact O-N 3.28Å; L342-Y347 HydrophobicContact CD1-CD1 4.06Å; L342-Y347 HydrophobicContact CD1-CE1 4.13Å; L342-R379 HydrophobicContact CD2-CB 4.45Å; L342-V380 HydrophobicContact CB-CG2 4.44Å; L342-V380 HydrophobicContact CD1-CB 4.14Å; L342-V380 HydrophobicContact CD1-CG1 4.12Å; L342-V380 HydrophobicContact CD1-CG2 3.88Å; L342-V380 HydrophobicContact CD2-CG2 4Å; L342-V380 HydrophobicContact CG-CG2 4.32Å; L342-K383 HydrophobicContact CD1-CB 4.01Å; L342-K383 HydrophobicContact CD1-CD 3.46Å; L342-K383 VanDerWaalsContact CD1-CD 3.46Å; L342-K383 HydrophobicContact CD1-CG 4.3Å; L342-K383 HydrophobicContact CG-CD 3.9Å; L342-K383 PolarHBondContact O-NZ 2.95Å
343	E	95	Very high	96.8	Very high	84 Å²	84	37.2 Å²	37.2	39%	0.393	19%	0.194	S	C	.	.	H	α-helix	trans	-76.9	-25	177	-65.9	-49.7	134.9	0	0	113.2	H301 L339 S340 N341 G345 K383	H301-E343 HydrophobicContact CB-CB 4.33Å; H301-E343 VanDerWaalsContact CD2-CB 3.46Å; H301-E343 WeakPolarHBondContact CD2-CB 3.49Å; L339-E343 PolarHBondContact O-N 3.32Å; S340-E343 PolarHBondContact O-N 2.94Å; N341-E343 VanDerWaalsContact C-N 3.32Å; N341-E343 PolarHBondContact O-N 3.21Å; E343-G345 VanDerWaalsContact C-N 3.28Å; E343-K383 IonicContact OE1-NZ 2.73Å; E343-K383 PolarHBondContact OE1-NZ 3.47Å; E343-K383 IonicContact OE2-NZ 3.04Å; E343-K383 PolarHBondContact OE2-NZ 2.9Å
344	L	95.8	Very high	96.9	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.325	19%	0.194	S	C	.	.	H	α-helix	trans	-78.2	-9.4	171.2	-64.9	171.9	0	0	0	113.7	H301 E302 S340 N341 N346	H301-L344 HydrophobicContact CB-CD1 4.43Å; H301-L344 HydrophobicContact CB-CD2 3.86Å; H301-L344 HydrophobicContact CB-CG 3.87Å; E302-L344 HydrophobicContact CG-CD1 4.28Å; E302-L344 HydrophobicContact CG-CD2 3.58Å; S340-L344 WeakPolarHBondContact O-CG 3.46Å; S340-L344 PolarHBondContact O-N 2.91Å; S340-L344 VanDerWaalsContact O-N 3.1Å; N341-L344 PolarHBondContact O-N 3.43Å; L344-N346 VanDerWaalsContact C-N 3.3Å
345	G	94.6	Very high	96.9	Very high	33 Å²	33	38.7 Å²	38.7	34%	0.34	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	7.9	-174.9	0	0	0	0	0	114.2	N341 L342 E343 Y347	N341-G345 PolarHBondContact O-N 2.97Å; N341-G345 VanDerWaalsContact O-N 3.13Å; L342-G345 PolarHBondContact O-N 3.28Å; E343-G345 VanDerWaalsContact C-N 3.28Å; G345-Y347 VanDerWaalsContact C-N 3.27Å; G345-Y347 WeakPolarHBondContact O-CD2 3.34Å; G345-Y347 WeakPolarHBondContact O-CE2 3.44Å; G345-Y347 PolarHBondContact O-N 3.22Å
346	N	97.3	Very high	97.1	Very high	63 Å²	63	38.8 Å²	38.8	34%	0.337	21%	0.205	S	C	.	.			trans	-81.8	71.5	177	-62.7	-12.2	0	0	0	109.5	N341 L344 T348 E349 S350	N341-N346 HydrophobicContact CB-CB 3.98Å; N341-N346 PolarHBondContact O-N 3.25Å; N341-N346 PolarHBondContact OD1-ND2 3.16Å; N341-N346 VanDerWaalsContact OD1-ND2 3.17Å; L344-N346 VanDerWaalsContact C-N 3.3Å; N346-T348 VanDerWaalsContact C-N 3.32Å; N346-T348 PolarHBondContact O-N 2.93Å; N346-E349 HydrophobicContact CB-CB 4.3Å; N346-E349 WeakPolarHBondContact CB-OE2 3.46Å; N346-S350 VanDerWaalsContact O-CB 3.29Å; N346-S350 WeakPolarHBondContact O-CB 3.47Å; N346-S350 PolarHBondContact O-N 2.95Å
347	Y	97.4	Very high	97.2	Very high	71 Å²	71	38.6 Å²	38.6	28%	0.278	20%	0.204	S	C	.	.	H	α-helix	trans	-64.3	-34.1	-171.3	-58.1	-69.1	0	0	0	113.5	L342 G345 L351 V380 K383 K384	L342-Y347 HydrophobicContact CD1-CD1 4.06Å; L342-Y347 HydrophobicContact CD1-CE1 4.13Å; G345-Y347 VanDerWaalsContact C-N 3.27Å; G345-Y347 WeakPolarHBondContact O-CD2 3.34Å; G345-Y347 WeakPolarHBondContact O-CE2 3.44Å; G345-Y347 PolarHBondContact O-N 3.22Å; Y347-L351 WeakPolarHBondContact O-CB 3.36Å; Y347-L351 WeakPolarHBondContact O-CG 3.37Å; Y347-L351 PolarHBondContact O-N 3.4Å; Y347-V380 HydrophobicContact CD1-CG1 4.16Å; Y347-K383 HydrophobicContact CE1-CB 3.99Å; Y347-K383 HydrophobicContact CE1-CD 4.24Å; Y347-K383 HydrophobicContact CE1-CG 3.98Å; Y347-K383 PolarHBondContact OH-O 3.36Å; Y347-K383 VanDerWaalsContact OH-O 3.12Å; Y347-K384 HydrophobicContact CD1-CB 3.92Å; Y347-K384 HydrophobicContact CD2-CB 4.27Å; Y347-K384 HydrophobicContact CD2-CG 4.11Å; Y347-K384 HydrophobicContact CE1-CB 4.25Å; Y347-K384 HydrophobicContact CG-CB 3.92Å; Y347-K384 HydrophobicContact CG-CD 4.48Å; Y347-K384 HydrophobicContact CG-CG 4.05Å
348	T	97.9	Very high	97.2	Very high	80 Å²	80	39.8 Å²	39.8	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-52.6	179.1	28.5	0	0	0	0	111.5	N346 S350 L351 E352	N346-T348 VanDerWaalsContact C-N 3.32Å; N346-T348 PolarHBondContact O-N 2.93Å; T348-S350 VanDerWaalsContact C-N 3.26Å; T348-S350 PolarHBondContact O-N 2.94Å; T348-L351 PolarHBondContact O-N 3.44Å; T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 3.19Å
349	E	97.4	Very high	97.2	Very high	84 Å²	84	43 Å²	43	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-34.5	179.1	-64.3	82.2	169.2	0	0	110.9	N341 N346 A353	N341-E349 HydrophobicContact CB-CB 4.25Å; N346-E349 HydrophobicContact CB-CB 4.3Å; N346-E349 WeakPolarHBondContact CB-OE2 3.46Å; E349-A353 WeakPolarHBondContact O-CB 3.45Å; E349-A353 PolarHBondContact O-N 3.25Å
350	S	97.9	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-46.8	173.6	-174.7	0	0	0	0	112.3	G338 N346 T348 A353 H354 V380	G338-S350 WeakPolarHBondContact O-CB 3.16Å; G338-S350 PolarHBondContact O-OG 3.44Å; N346-S350 VanDerWaalsContact O-CB 3.29Å; N346-S350 WeakPolarHBondContact O-CB 3.47Å; N346-S350 PolarHBondContact O-N 2.95Å; T348-S350 VanDerWaalsContact C-N 3.26Å; T348-S350 PolarHBondContact O-N 2.94Å; S350-A353 PolarHBondContact O-N 3.17Å; S350-H354 PolarHBondContact O-CD2 3.34Å; S350-H354 PolarHBondContact O-N 3.42Å; S350-V380 WeakPolarHBondContact OG-CG2 3.28Å
351	L	98.1	Very high	97.3	Very high	21 Å²	21	42 Å²	42	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-44.3	175.7	-77.3	171	0	0	0	111.7	Y347 T348 A353 H354 Q355 M377 V380 Y381	Y347-L351 WeakPolarHBondContact O-CB 3.36Å; Y347-L351 WeakPolarHBondContact O-CG 3.37Å; Y347-L351 PolarHBondContact O-N 3.4Å; T348-L351 PolarHBondContact O-N 3.44Å; L351-A353 VanDerWaalsContact C-N 3.34Å; L351-A353 PolarHBondContact O-N 3.38Å; L351-H354 PolarHBondContact O-N 2.97Å; L351-Q355 VanDerWaalsContact O-CB 3.24Å; L351-Q355 WeakPolarHBondContact O-CB 3.37Å; L351-Q355 PolarHBondContact O-N 2.89Å; L351-M377 HydrophobicContact CD2-CB 4.45Å; L351-V380 HydrophobicContact CD1-CG1 4.32Å; L351-V380 HydrophobicContact CD2-CB 3.87Å; L351-V380 HydrophobicContact CD2-CG1 3.84Å; L351-V380 HydrophobicContact CG-CB 4.21Å; L351-V380 HydrophobicContact CG-CG1 3.6Å; L351-Y381 HydrophobicContact CD1-CD1 4.15Å; L351-Y381 HydrophobicContact CD1-CE1 3.6Å; L351-Y381 HydrophobicContact CD1-CE2 4.49Å; L351-Y381 HydrophobicContact CD2-CD1 4.41Å; L351-Y381 HydrophobicContact CD2-CD2 3.9Å; L351-Y381 HydrophobicContact CD2-CE1 4.09Å; L351-Y381 HydrophobicContact CD2-CE2 3.47Å; L351-Y381 VanDerWaalsContact CD2-CE2 3.47Å; L351-Y381 HydrophobicContact CD2-CG 4.33Å
352	E	98.2	Very high	97.2	Very high	138 Å²	138	45.5 Å²	45.5	65%	0.645	24%	0.235	S	C	*	.	H	α-helix	trans	-59.7	-43.5	177.4	-73.7	175.2	-177.5	0	0	111.8	T348 Q355 A356	T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 3.19Å; E352-Q355 PolarHBondContact O-N 3.38Å; E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 2.98Å
353	A	98.1	Very high	97.2	Very high	6 Å²	6	52.3 Å²	52.3	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-44.2	177.7	0	0	0	0	0	112	Y334 L337 E349 S350 L351 A356 A357	Y334-A353 WeakPolarHBondContact CB-O 3.4Å; Y334-A353 WeakPolarHBondContact O-CB 3.48Å; L337-A353 HydrophobicContact CB-CB 4.41Å; L337-A353 HydrophobicContact CD2-CB 4.49Å; L337-A353 HydrophobicContact CG-CB 4.4Å; E349-A353 WeakPolarHBondContact O-CB 3.45Å; E349-A353 PolarHBondContact O-N 3.25Å; S350-A353 PolarHBondContact O-N 3.17Å; L351-A353 VanDerWaalsContact C-N 3.34Å; L351-A353 PolarHBondContact O-N 3.38Å; A353-A356 PolarHBondContact O-N 3Å; A353-A357 PolarHBondContact O-N 3.38Å; A353-A357 VanDerWaalsContact O-N 3.08Å
354	H	98.2	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-32.8	177.1	-69.5	-56	0	0	0	113.1	S335 G338 L339 S350 L351 A357 Y358 N376 M377	S335-H354 PolarHBondContact O-CE1 2.72Å; S335-H354 VanDerWaalsContact O-CE1 3.3Å; G338-H354 WeakPolarHBondContact CA-NE2 3.42Å; L339-H354 PolarHBondContact N-NE2 3.46Å; S350-H354 PolarHBondContact O-CD2 3.34Å; S350-H354 PolarHBondContact O-N 3.42Å; L351-H354 PolarHBondContact O-N 2.97Å; H354-A357 PolarHBondContact O-N 3.16Å; H354-Y358 WeakPolarHBondContact O-CB 3.4Å; H354-Y358 PolarHBondContact O-N 2.93Å; H354-N376 WeakPolarHBondContact CE1-CB 3.16Å; H354-N376 WeakPolarHBondContact ND1-CB 3.16Å; H354-M377 HydrophobicContact CB-CG 3.61Å
355	Q	98.2	Very high	97	Very high	69 Å²	69	54.6 Å²	54.6	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-43.9	171.7	-173.7	64.1	56.6	0	0	110.8	L351 E352 A357 Y358 D359	L351-Q355 VanDerWaalsContact O-CB 3.24Å; L351-Q355 WeakPolarHBondContact O-CB 3.37Å; L351-Q355 PolarHBondContact O-N 2.89Å; E352-Q355 PolarHBondContact O-N 3.38Å; Q355-A357 VanDerWaalsContact C-N 3.3Å; Q355-A357 PolarHBondContact O-N 3.14Å; Q355-Y358 WeakPolarHBondContact O-CB 3.24Å; Q355-Y358 PolarHBondContact O-N 3.29Å; Q355-Y358 VanDerWaalsContact O-N 3.1Å; Q355-D359 PolarHBondContact NE2-OD1 3.37Å; Q355-D359 PolarHBondContact O-N 2.82Å
356	A	98.1	Very high	96.9	Very high	24 Å²	24	54.5 Å²	54.5	20%	0.198	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-38.5	175.2	0	0	0	0	0	112.4	Y334 E352 A353 L360	Y334-A356 HydrophobicContact CD1-CB 3.89Å; Y334-A356 HydrophobicContact CD2-CB 4.09Å; Y334-A356 HydrophobicContact CE1-CB 3.83Å; Y334-A356 HydrophobicContact CE2-CB 4.02Å; Y334-A356 HydrophobicContact CG-CB 4.02Å; E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 2.98Å; A353-A356 PolarHBondContact O-N 3Å; A356-L360 WeakPolarHBondContact O-CB 3.24Å; A356-L360 VanDerWaalsContact O-CG 3.29Å; A356-L360 WeakPolarHBondContact O-CG 3.46Å; A356-L360 PolarHBondContact O-N 3.4Å; A356-L360 VanDerWaalsContact O-N 3.13Å
357	A	97.8	Very high	96.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-40.6	172.8	0	0	0	0	0	112.1	A331 A353 H354 Q355 G361 V369 S373	A331-A357 HydrophobicContact CB-CB 4.27Å; A353-A357 PolarHBondContact O-N 3.38Å; A353-A357 VanDerWaalsContact O-N 3.08Å; H354-A357 PolarHBondContact O-N 3.16Å; Q355-A357 VanDerWaalsContact C-N 3.3Å; Q355-A357 PolarHBondContact O-N 3.14Å; A357-G361 PolarHBondContact O-N 2.75Å; A357-V369 WeakPolarHBondContact O-CG1 3.32Å; A357-S373 WeakPolarHBondContact CB-OG 3.38Å
358	Y	97.7	Very high	96.2	Very high	43 Å²	43	58.9 Å²	58.9	17%	0.169	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-47.6	176.2	-179.2	-89.6	0	0	0	111.9	H354 Q355 L360 G361 Q362 I370 S373 M374	H354-Y358 WeakPolarHBondContact O-CB 3.4Å; H354-Y358 PolarHBondContact O-N 2.93Å; Q355-Y358 WeakPolarHBondContact O-CB 3.24Å; Q355-Y358 PolarHBondContact O-N 3.29Å; Q355-Y358 VanDerWaalsContact O-N 3.1Å; Y358-L360 PolarHBondContact O-N 3.46Å; Y358-G361 CarbonylContact O-C 3.59Å; Y358-G361 WeakPolarHBondContact O-CA 3.34Å; Y358-G361 PolarHBondContact O-N 3.45Å; Y358-Q362 HydrophobicContact CD1-CG 3.99Å; Y358-Q362 HydrophobicContact CE1-CG 3.56Å; Y358-Q362 VanDerWaalsContact CZ-NE2 3.34Å; Y358-Q362 PolarHBondContact O-N 3.07Å; Y358-Q362 PolarHBondContact OH-NE2 2.9Å; Y358-I370 HydrophobicContact CD2-CG2 4.11Å; Y358-I370 HydrophobicContact CE2-CG2 3.65Å; Y358-S373 PolarHBondContact N-OG 3.11Å; Y358-M374 HydrophobicContact CD2-CG 3.88Å; Y358-M374 HydrophobicContact CE2-CG 3.58Å; Y358-M374 HydrophobicContact CE2-SD 3.97Å
359	D	97.9	Very high	95.9	Very high	68 Å²	68	55.9 Å²	55.9	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-44.3	-179.3	-63.9	-19.5	0	0	0	110.7	Q355 G361 Q362 E363	Q355-D359 PolarHBondContact NE2-OD1 3.37Å; Q355-D359 PolarHBondContact O-N 2.82Å; D359-G361 PolarHBondContact O-N 3Å; D359-Q362 PolarHBondContact O-N 3.5Å; D359-Q362 VanDerWaalsContact O-N 3.16Å; D359-E363 WeakPolarHBondContact O-CB 3.14Å; D359-E363 WeakPolarHBondContact O-CG 3.24Å; D359-E363 PolarHBondContact O-N 3.03Å
360	L	96.5	Very high	95.8	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-39.3	171.5	-76.1	176.2	0	0	0	112.3	Y327 L330 A331 Y334 A356 Y358 N364	Y327-L360 HydrophobicContact CD1-CD2 3.93Å; L330-L360 HydrophobicContact CB-CD1 3.67Å; A331-L360 HydrophobicContact CB-CB 4.41Å; A331-L360 HydrophobicContact CB-CD1 4.25Å; Y334-L360 HydrophobicContact CD2-CD1 3.73Å; Y334-L360 HydrophobicContact CE2-CD1 3.79Å; A356-L360 WeakPolarHBondContact O-CB 3.24Å; A356-L360 VanDerWaalsContact O-CG 3.29Å; A356-L360 WeakPolarHBondContact O-CG 3.46Å; A356-L360 PolarHBondContact O-N 3.4Å; A356-L360 VanDerWaalsContact O-N 3.13Å; Y358-L360 PolarHBondContact O-N 3.46Å; L360-N364 WeakPolarHBondContact O-CB 3.37Å; L360-N364 PolarHBondContact O-N 3.39Å; L360-N364 PolarHBondContact O-ND2 3.36Å
361	G	96.2	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-43.7	176.4	0	0	0	0	0	112.6	A357 Y358 D359 N365 L366	A357-G361 PolarHBondContact O-N 2.75Å; Y358-G361 CarbonylContact O-C 3.59Å; Y358-G361 WeakPolarHBondContact O-CA 3.34Å; Y358-G361 PolarHBondContact O-N 3.45Å; D359-G361 PolarHBondContact O-N 3Å; G361-N365 CarbonylContact O-C 3.58Å; G361-N365 WeakPolarHBondContact O-CA 3.29Å; G361-N365 PolarHBondContact O-N 3Å; G361-L366 PolarHBondContact O-N 3.13Å
362	Q	96.1	Very high	95.2	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-51.2	176.8	-71.8	-67.6	-15.7	0	0	111.8	Y358 D359 N364 N365 I370	Y358-Q362 HydrophobicContact CD1-CG 3.99Å; Y358-Q362 HydrophobicContact CE1-CG 3.56Å; Y358-Q362 VanDerWaalsContact CZ-NE2 3.34Å; Y358-Q362 PolarHBondContact O-N 3.07Å; Y358-Q362 PolarHBondContact OH-NE2 2.9Å; D359-Q362 PolarHBondContact O-N 3.5Å; D359-Q362 VanDerWaalsContact O-N 3.16Å; Q362-N364 PolarHBondContact O-N 2.81Å; Q362-N365 PolarHBondContact O-N 2.98Å; Q362-I370 HydrophobicContact CG-CD1 4.35Å; Q362-I370 HydrophobicContact CG-CG1 4.42Å
363	E	96.4	Very high	95	Very high	146 Å²	146	50.4 Å²	50.4	68%	0.682	26%	0.264	S	S	*	.	H	α-helix	trans	-61.9	-30.1	-177.3	-71	175.1	179.4	0	0	112.8	D359	D359-E363 WeakPolarHBondContact O-CB 3.14Å; D359-E363 WeakPolarHBondContact O-CG 3.24Å; D359-E363 PolarHBondContact O-N 3.03Å
364	N	94.3	Very high	94.9	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.251	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	10.8	-174.3	-60.8	-80.2	0	0	0	113.9	Y327 L360 Q362 L366	Y327-N364 HydrophobicContact CD2-CB 4.28Å; Y327-N364 VanDerWaalsContact CD2-CG 3.45Å; Y327-N364 WeakPolarHBondContact CD2-OD1 3.42Å; Y327-N364 WeakPolarHBondContact CE2-OD1 3.35Å; Y327-N364 HydrophobicContact CG-CB 4.33Å; Y327-N364 VanDerWaalsContact CG-CG 3.47Å; L360-N364 WeakPolarHBondContact O-CB 3.37Å; L360-N364 PolarHBondContact O-N 3.39Å; L360-N364 PolarHBondContact O-ND2 3.36Å; Q362-N364 PolarHBondContact O-N 2.81Å; N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 HydrophobicContact CB-CD1 4.03Å; N364-L366 HydrophobicContact CB-CG 3.94Å; N364-L366 PolarHBondContact O-N 3.2Å
365	N	93	Very high	94.7	Very high	147 Å²	147	51.5 Å²	51.5	79%	0.786	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	39.7	179.9	-58.9	-70.8	0	0	0	114.1	G361 Q362 S367	G361-N365 CarbonylContact O-C 3.58Å; G361-N365 WeakPolarHBondContact O-CA 3.29Å; G361-N365 PolarHBondContact O-N 3Å; Q362-N365 PolarHBondContact O-N 2.98Å; N365-S367 PolarHBondContact O-N 3.37Å
366	L	91.8	Very high	94.5	Very high	30 Å²	30	49 Å²	49	16%	0.157	26%	0.258	C	S	.	.			trans	-94.1	87.1	-179.7	-53.1	172.1	0	0	0	110	E328 G361 N364 E368 V369 I370	E328-L366 HydrophobicContact CG-CD1 3.76Å; E328-L366 HydrophobicContact CG-CD2 3.83Å; E328-L366 HydrophobicContact CG-CG 4.39Å; G361-L366 PolarHBondContact O-N 3.13Å; N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 HydrophobicContact CB-CD1 4.03Å; N364-L366 HydrophobicContact CB-CG 3.94Å; N364-L366 PolarHBondContact O-N 3.2Å; L366-E368 PolarHBondContact O-N 3.18Å; L366-V369 HydrophobicContact CB-CB 3.85Å; L366-V369 HydrophobicContact CB-CG2 3.86Å; L366-V369 HydrophobicContact CD1-CG2 4.13Å; L366-V369 WeakPolarHBondContact O-CB 3.45Å; L366-V369 PolarHBondContact O-N 3.1Å; L366-V369 VanDerWaalsContact O-N 3.14Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.38Å
367	S	91.6	Very high	94.5	Very high	91 Å²	91	48.4 Å²	48.4	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-58.9	-39.8	-174	58.4	0	0	0	0	114.2	N365 I370 S371	N365-S367 PolarHBondContact O-N 3.37Å; S367-I370 PolarHBondContact O-N 3.37Å; S367-S371 WeakPolarHBondContact O-CB 3.35Å; S367-S371 PolarHBondContact O-N 3.08Å
368	E	89.7	Confident	94.5	Very high	136 Å²	136	48.4 Å²	48.4	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-64.4	-40.3	177.2	-66.7	-173.4	177.8	0	0	111.6	L366 S371 H372	L366-E368 PolarHBondContact O-N 3.18Å; E368-S371 PolarHBondContact O-N 3.38Å; E368-H372 VanDerWaalsContact O-CG 3.31Å; E368-H372 PolarHBondContact O-N 2.85Å; E368-H372 PolarHBondContact O-ND1 2.84Å
369	V	91	Very high	94.3	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-44.6	176.7	171.9	0	0	0	0	110.8	A331 A357 L366 S371 S373	A331-V369 HydrophobicContact CB-CB 4.43Å; A331-V369 HydrophobicContact CB-CG1 3.47Å; A331-V369 VanDerWaalsContact CB-CG1 3.47Å; A331-V369 HydrophobicContact CB-CG2 4.05Å; A357-V369 WeakPolarHBondContact O-CG1 3.32Å; L366-V369 HydrophobicContact CB-CB 3.85Å; L366-V369 HydrophobicContact CB-CG2 3.86Å; L366-V369 HydrophobicContact CD1-CG2 4.13Å; L366-V369 WeakPolarHBondContact O-CB 3.45Å; L366-V369 PolarHBondContact O-N 3.1Å; L366-V369 VanDerWaalsContact O-N 3.14Å; V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 2.9Å; V369-S373 VanDerWaalsContact O-CB 3.26Å; V369-S373 WeakPolarHBondContact O-CB 3.26Å; V369-S373 PolarHBondContact O-N 3.32Å; V369-S373 PolarHBondContact O-OG 3.18Å
370	I	94.3	Very high	94.2	Very high	30 Å²	30	48 Å²	48	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-50.2	176.1	-65.3	167.3	0	0	0	109.5	Y358 Q362 L366 S367 S373 M374	Y358-I370 HydrophobicContact CD2-CG2 4.11Å; Y358-I370 HydrophobicContact CE2-CG2 3.65Å; Q362-I370 HydrophobicContact CG-CD1 4.35Å; Q362-I370 HydrophobicContact CG-CG1 4.42Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.38Å; S367-I370 PolarHBondContact O-N 3.37Å; I370-S373 PolarHBondContact O-N 3.34Å; I370-M374 HydrophobicContact CG2-SD 4.2Å; I370-M374 WeakPolarHBondContact O-CG 3.36Å; I370-M374 PolarHBondContact O-N 3.41Å
371	S	92.2	Very high	94.3	Very high	30 Å²	30	49.2 Å²	49.2	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-52.4	-179.6	-173.8	0	0	0	0	112.3	S367 E368 V369 S373 M374 D375 K397	S367-S371 WeakPolarHBondContact O-CB 3.35Å; S367-S371 PolarHBondContact O-N 3.08Å; E368-S371 PolarHBondContact O-N 3.38Å; V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 2.9Å; S371-S373 VanDerWaalsContact C-N 3.33Å; S371-S373 PolarHBondContact O-N 2.87Å; S371-M374 PolarHBondContact O-N 2.86Å; S371-D375 PolarHBondContact O-N 3.38Å; S371-D375 VanDerWaalsContact O-N 3.1Å; S371-K397 WeakPolarHBondContact OG-CE 3.47Å; S371-K397 PolarHBondContact OG-NZ 3.02Å
372	H	91.2	Very high	94.2	Very high	66 Å²	66	50 Å²	50	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-32.3	-179.6	-66.3	159.9	0	0	0	113.2	Q119 E368 D375 N376	Q119-H372 PolarHBondContact OE1-CE1 3.02Å; Q119-H372 PolarHBondContact OE1-ND1 3.37Å; E368-H372 VanDerWaalsContact O-CG 3.31Å; E368-H372 PolarHBondContact O-N 2.85Å; E368-H372 PolarHBondContact O-ND1 2.84Å; H372-D375 PolarHBondContact O-N 3.46Å; H372-N376 PolarHBondContact O-N 3.43Å; H372-N376 VanDerWaalsContact O-N 3.09Å; H372-N376 PolarHBondContact O-ND2 2.92Å
373	S	95.1	Very high	94.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-42	176.6	-56.5	0	0	0	0	110.5	A357 Y358 V369 I370 S371 D375 N376 M377	A357-S373 WeakPolarHBondContact CB-OG 3.38Å; Y358-S373 PolarHBondContact N-OG 3.11Å; V369-S373 VanDerWaalsContact O-CB 3.26Å; V369-S373 WeakPolarHBondContact O-CB 3.26Å; V369-S373 PolarHBondContact O-N 3.32Å; V369-S373 PolarHBondContact O-OG 3.18Å; I370-S373 PolarHBondContact O-N 3.34Å; S371-S373 VanDerWaalsContact C-N 3.33Å; S371-S373 PolarHBondContact O-N 2.87Å; S373-D375 VanDerWaalsContact C-N 3.35Å; S373-D375 PolarHBondContact O-N 3.4Å; S373-N376 PolarHBondContact O-N 2.95Å; S373-M377 WeakPolarHBondContact O-CB 3.29Å; S373-M377 WeakPolarHBondContact O-CG 3.45Å; S373-M377 PolarHBondContact O-N 3.42Å
374	M	96.6	Very high	94	Very high	9 Å²	9	48 Å²	48	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-40.9	173.7	-68	-179.9	81.5	0	0	112.2	Y358 I370 S371 G378 I393 E396 K397	Y358-M374 HydrophobicContact CD2-CG 3.88Å; Y358-M374 HydrophobicContact CE2-CG 3.58Å; Y358-M374 HydrophobicContact CE2-SD 3.97Å; I370-M374 HydrophobicContact CG2-SD 4.2Å; I370-M374 WeakPolarHBondContact O-CG 3.36Å; I370-M374 PolarHBondContact O-N 3.41Å; S371-M374 PolarHBondContact O-N 2.86Å; M374-G378 PolarHBondContact O-N 2.71Å; M374-I393 HydrophobicContact CB-CG2 3.88Å; M374-I393 HydrophobicContact CE-CG2 4.22Å; M374-I393 VanDerWaalsContact CE-O 3.32Å; M374-I393 WeakPolarHBondContact CE-O 3.27Å; M374-I393 HydrophobicContact CG-CG2 4.28Å; M374-I393 WeakPolarHBondContact O-CG2 3.3Å; M374-E396 HydrophobicContact CE-CB 3.88Å; M374-K397 HydrophobicContact CB-CB 4.43Å; M374-K397 HydrophobicContact CB-CD 4.2Å; M374-K397 HydrophobicContact CE-CB 3.74Å; M374-K397 HydrophobicContact SD-CB 4.15Å; M374-K397 HydrophobicContact SD-CG 4.49Å
375	D	93.3	Very high	94	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-52.5	176.1	-67.6	-27.2	0	0	0	111.6	S371 H372 S373 G378 R379 W394 K397 W409	S371-D375 PolarHBondContact O-N 3.38Å; S371-D375 VanDerWaalsContact O-N 3.1Å; H372-D375 PolarHBondContact O-N 3.46Å; S373-D375 VanDerWaalsContact C-N 3.35Å; S373-D375 PolarHBondContact O-N 3.4Å; D375-G378 PolarHBondContact O-N 3.1Å; D375-R379 WeakPolarHBondContact O-CG 3.38Å; D375-R379 PolarHBondContact O-N 2.6Å; D375-W394 PolarHBondContact O-NE1 3.07Å; D375-K397 WeakPolarHBondContact OD1-CD 3.45Å; D375-K397 WeakPolarHBondContact OD1-CE 3.16Å; D375-K397 IonicContact OD1-NZ 3.05Å; D375-K397 PolarHBondContact OD1-NZ 3.46Å; D375-K397 IonicContact OD2-NZ 3.77Å; D375-K397 PolarHBondContact OD2-NZ 3.45Å; D375-W409 HydrophobicContact CB-CH2 3.98Å; D375-W409 HydrophobicContact CB-CZ3 4.31Å; D375-W409 WeakPolarHBondContact OD1-CZ3 3.34Å
376	N	94.7	Very high	94.2	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-41.4	-177	-71.1	-37.5	0	0	0	111.7	S335 H354 H372 S373 G378 R379 V380	S335-N376 PolarHBondContact OG-ND2 2.68Å; H354-N376 WeakPolarHBondContact CE1-CB 3.16Å; H354-N376 WeakPolarHBondContact ND1-CB 3.16Å; H372-N376 PolarHBondContact O-N 3.43Å; H372-N376 VanDerWaalsContact O-N 3.09Å; H372-N376 PolarHBondContact O-ND2 2.92Å; S373-N376 PolarHBondContact O-N 2.95Å; N376-G378 VanDerWaalsContact C-N 3.33Å; N376-G378 PolarHBondContact O-N 2.97Å; N376-R379 WeakPolarHBondContact O-CB 3.37Å; N376-R379 PolarHBondContact O-N 2.94Å; N376-R379 VanDerWaalsContact O-N 3.11Å; N376-R379 PolarHBondContact OD1-NH1 3.44Å; N376-V380 WeakPolarHBondContact O-CG2 3.33Å; N376-V380 PolarHBondContact O-N 3.03Å
377	M	97.8	Very high	94.4	Very high	11 Å²	11	44 Å²	44	5%	0.054	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-47	174.3	-70.9	168.8	75.4	0	0	111.5	L351 H354 S373 R379 V380 Y381 I393	L351-M377 HydrophobicContact CD2-CB 4.45Å; H354-M377 HydrophobicContact CB-CG 3.61Å; S373-M377 WeakPolarHBondContact O-CB 3.29Å; S373-M377 WeakPolarHBondContact O-CG 3.45Å; S373-M377 PolarHBondContact O-N 3.42Å; M377-R379 VanDerWaalsContact C-N 3.32Å; M377-R379 PolarHBondContact O-N 2.63Å; M377-V380 PolarHBondContact O-N 3.47Å; M377-V380 VanDerWaalsContact O-N 3.15Å; M377-Y381 HydrophobicContact CB-CE2 4.48Å; M377-Y381 WeakPolarHBondContact O-CD2 3.34Å; M377-Y381 PolarHBondContact O-N 3.32Å; M377-I393 HydrophobicContact CB-CD1 3.79Å; M377-I393 HydrophobicContact CB-CG2 4.47Å; M377-I393 HydrophobicContact CE-CD1 3.73Å
378	G	96.5	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-40	176	0	0	0	0	0	112.6	M374 D375 N376 V380 Y381 A382 W394	M374-G378 PolarHBondContact O-N 2.71Å; D375-G378 PolarHBondContact O-N 3.1Å; N376-G378 VanDerWaalsContact C-N 3.33Å; N376-G378 PolarHBondContact O-N 2.97Å; G378-V380 VanDerWaalsContact C-N 3.34Å; G378-V380 PolarHBondContact O-N 3.24Å; G378-Y381 PolarHBondContact O-N 3.32Å; G378-A382 WeakPolarHBondContact O-CB 3.3Å; G378-A382 PolarHBondContact O-N 3.02Å; G378-W394 VanDerWaalsContact CA-CE2 3.5Å
379	R	94	Very high	95.1	Very high	102 Å²	102	40.3 Å²	40.3	39%	0.385	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-40.2	174.1	-69.4	173.7	66	-152.2	1.6	112	L342 D375 N376 M377 K383 W394 W409	L342-R379 HydrophobicContact CD2-CB 4.45Å; D375-R379 WeakPolarHBondContact O-CG 3.38Å; D375-R379 PolarHBondContact O-N 2.6Å; N376-R379 WeakPolarHBondContact O-CB 3.37Å; N376-R379 PolarHBondContact O-N 2.94Å; N376-R379 VanDerWaalsContact O-N 3.11Å; N376-R379 PolarHBondContact OD1-NH1 3.44Å; M377-R379 VanDerWaalsContact C-N 3.32Å; M377-R379 PolarHBondContact O-N 2.63Å; R379-K383 WeakPolarHBondContact O-CB 3.46Å; R379-K383 PolarHBondContact O-N 3.49Å; R379-W394 HydrophobicContact CB-CZ2 4.38Å; R379-W394 HydrophobicContact CG-CH2 4.49Å; R379-W394 HydrophobicContact CG-CZ2 3.81Å; R379-W409 HydrophobicContact CG-CZ2 4.44Å
380	V	96.8	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-48	177.9	-177.8	0	0	0	0	110.6	L342 Y347 S350 L351 N376 M377 G378 A382 K383 K384	L342-V380 HydrophobicContact CB-CG2 4.44Å; L342-V380 HydrophobicContact CD1-CB 4.14Å; L342-V380 HydrophobicContact CD1-CG1 4.12Å; L342-V380 HydrophobicContact CD1-CG2 3.88Å; L342-V380 HydrophobicContact CD2-CG2 4Å; L342-V380 HydrophobicContact CG-CG2 4.32Å; Y347-V380 HydrophobicContact CD1-CG1 4.16Å; S350-V380 WeakPolarHBondContact OG-CG2 3.28Å; L351-V380 HydrophobicContact CD1-CG1 4.32Å; L351-V380 HydrophobicContact CD2-CB 3.87Å; L351-V380 HydrophobicContact CD2-CG1 3.84Å; L351-V380 HydrophobicContact CG-CB 4.21Å; L351-V380 HydrophobicContact CG-CG1 3.6Å; N376-V380 WeakPolarHBondContact O-CG2 3.33Å; N376-V380 PolarHBondContact O-N 3.03Å; M377-V380 PolarHBondContact O-N 3.47Å; M377-V380 VanDerWaalsContact O-N 3.15Å; G378-V380 VanDerWaalsContact C-N 3.34Å; G378-V380 PolarHBondContact O-N 3.24Å; V380-A382 PolarHBondContact O-N 2.88Å; V380-K383 PolarHBondContact O-N 3.36Å; V380-K384 VanDerWaalsContact O-CB 3.29Å; V380-K384 WeakPolarHBondContact O-CB 3.42Å; V380-K384 PolarHBondContact O-N 2.99Å
381	Y	98.1	Very high	95.6	Very high	47 Å²	47	39 Å²	39	18%	0.184	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-46.4	176.2	-76.7	-62.1	0	0	0	112	L351 M377 G378 K383 K384 G385 D386 I393	L351-Y381 HydrophobicContact CD1-CD1 4.15Å; L351-Y381 HydrophobicContact CD1-CE1 3.6Å; L351-Y381 HydrophobicContact CD1-CE2 4.49Å; L351-Y381 HydrophobicContact CD2-CD1 4.41Å; L351-Y381 HydrophobicContact CD2-CD2 3.9Å; L351-Y381 HydrophobicContact CD2-CE1 4.09Å; L351-Y381 HydrophobicContact CD2-CE2 3.47Å; L351-Y381 VanDerWaalsContact CD2-CE2 3.47Å; L351-Y381 HydrophobicContact CD2-CG 4.33Å; M377-Y381 HydrophobicContact CB-CE2 4.48Å; M377-Y381 WeakPolarHBondContact O-CD2 3.34Å; M377-Y381 PolarHBondContact O-N 3.32Å; G378-Y381 PolarHBondContact O-N 3.32Å; Y381-K383 PolarHBondContact O-N 3.43Å; Y381-K384 WeakPolarHBondContact O-CB 3.25Å; Y381-K384 PolarHBondContact O-N 2.93Å; Y381-G385 PolarHBondContact O-N 2.98Å; Y381-G385 VanDerWaalsContact O-N 3.1Å; Y381-D386 HydrophobicContact CD1-CB 4.09Å; Y381-D386 PolarHBondContact O-N 3.08Å; Y381-I393 HydrophobicContact CD2-CD1 3.72Å; Y381-I393 HydrophobicContact CE2-CD1 3.36Å
382	A	94.5	Very high	95.9	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-41.8	177.5	0	0	0	0	0	112.5	G378 V380 K384 G385 Y387 A390 W394	G378-A382 WeakPolarHBondContact O-CB 3.3Å; G378-A382 PolarHBondContact O-N 3.02Å; V380-A382 PolarHBondContact O-N 2.88Å; A382-K384 VanDerWaalsContact C-N 3.32Å; A382-K384 PolarHBondContact O-N 3.29Å; A382-G385 PolarHBondContact O-N 3.28Å; A382-Y387 WeakPolarHBondContact O-CE1 3.46Å; A382-A390 HydrophobicContact CB-CB 4.12Å; A382-W394 HydrophobicContact CB-CH2 3.93Å; A382-W394 HydrophobicContact CB-CZ3 4.14Å
383	K	92.9	Very high	96.1	Very high	88 Å²	88	42 Å²	42	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-70.8	-27.1	177.6	-160.2	-178.2	-170.1	-177.9	0	112.5	L342 E343 Y347 R379 V380 Y381 G385	L342-K383 HydrophobicContact CD1-CB 4.01Å; L342-K383 HydrophobicContact CD1-CD 3.46Å; L342-K383 VanDerWaalsContact CD1-CD 3.46Å; L342-K383 HydrophobicContact CD1-CG 4.3Å; L342-K383 HydrophobicContact CG-CD 3.9Å; L342-K383 PolarHBondContact O-NZ 2.95Å; E343-K383 IonicContact OE1-NZ 2.73Å; E343-K383 PolarHBondContact OE1-NZ 3.47Å; E343-K383 IonicContact OE2-NZ 3.04Å; E343-K383 PolarHBondContact OE2-NZ 2.9Å; Y347-K383 HydrophobicContact CE1-CB 3.99Å; Y347-K383 HydrophobicContact CE1-CD 4.24Å; Y347-K383 HydrophobicContact CE1-CG 3.98Å; Y347-K383 PolarHBondContact OH-O 3.36Å; Y347-K383 VanDerWaalsContact OH-O 3.12Å; R379-K383 WeakPolarHBondContact O-CB 3.46Å; R379-K383 PolarHBondContact O-N 3.49Å; V380-K383 PolarHBondContact O-N 3.36Å; Y381-K383 PolarHBondContact O-N 3.43Å; K383-G385 VanDerWaalsContact C-N 3.3Å
384	K	95.5	Very high	96.2	Very high	101 Å²	101	42 Å²	42	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-74.5	-19.4	172.2	-174.2	-175.4	173.7	-166.8	0	112.4	Y347 V380 Y381 A382	Y347-K384 HydrophobicContact CD1-CB 3.92Å; Y347-K384 HydrophobicContact CD2-CB 4.27Å; Y347-K384 HydrophobicContact CD2-CG 4.11Å; Y347-K384 HydrophobicContact CE1-CB 4.25Å; Y347-K384 HydrophobicContact CG-CB 3.92Å; Y347-K384 HydrophobicContact CG-CD 4.48Å; Y347-K384 HydrophobicContact CG-CG 4.05Å; V380-K384 VanDerWaalsContact O-CB 3.29Å; V380-K384 WeakPolarHBondContact O-CB 3.42Å; V380-K384 PolarHBondContact O-N 2.99Å; Y381-K384 WeakPolarHBondContact O-CB 3.25Å; Y381-K384 PolarHBondContact O-N 2.93Å; A382-K384 VanDerWaalsContact C-N 3.32Å; A382-K384 PolarHBondContact O-N 3.29Å
385	G	93.3	Very high	96.3	Very high	36 Å²	36	42.4 Å²	42.4	37%	0.371	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	9.7	-174.8	0	0	0	0	0	114.2	Y381 A382 K383 Y387	Y381-G385 PolarHBondContact O-N 2.98Å; Y381-G385 VanDerWaalsContact O-N 3.1Å; A382-G385 PolarHBondContact O-N 3.28Å; K383-G385 VanDerWaalsContact C-N 3.3Å; G385-Y387 WeakPolarHBondContact O-CD2 3.49Å; G385-Y387 PolarHBondContact O-N 3Å
386	D	96.6	Very high	96.4	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.241	22%	0.223	C	C	.	.			trans	-91.9	71.9	176.1	-174	-16.6	0	0	0	109.2	Y381 E388 S389 A390	Y381-D386 HydrophobicContact CD1-CB 4.09Å; Y381-D386 PolarHBondContact O-N 3.08Å; D386-E388 VanDerWaalsContact C-N 3.31Å; D386-E388 PolarHBondContact O-N 2.92Å; D386-S389 VanDerWaalsContact CG-OG 3.23Å; D386-S389 PolarHBondContact O-N 2.84Å; D386-S389 WeakPolarHBondContact OD1-CB 3.47Å; D386-S389 PolarHBondContact OD1-N 2.7Å; D386-S389 PolarHBondContact OD1-OG 3.09Å; D386-S389 PolarHBondContact OD2-OG 3.09Å; D386-A390 PolarHBondContact O-N 3.41Å
387	Y	97.4	Very high	96.4	Very high	58 Å²	58	44.8 Å²	44.8	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-28.7	-172.5	-57	-69.1	0	0	0	112.4	A382 G385 A390 V391 C417 E420 L421	A382-Y387 WeakPolarHBondContact O-CE1 3.46Å; G385-Y387 WeakPolarHBondContact O-CD2 3.49Å; G385-Y387 PolarHBondContact O-N 3Å; Y387-A390 PolarHBondContact O-N 2.89Å; Y387-V391 WeakPolarHBondContact O-CB 3.41Å; Y387-V391 VanDerWaalsContact O-CG2 3.25Å; Y387-V391 WeakPolarHBondContact O-CG2 3.44Å; Y387-V391 PolarHBondContact O-N 2.83Å; Y387-C417 HydrophobicContact CD1-CB 4.37Å; Y387-E420 HydrophobicContact CD1-CB 4.05Å; Y387-E420 HydrophobicContact CD1-CG 4.32Å; Y387-E420 HydrophobicContact CD2-CB 3.65Å; Y387-E420 HydrophobicContact CE1-CB 3.89Å; Y387-E420 HydrophobicContact CE1-CG 3.78Å; Y387-E420 HydrophobicContact CE2-CB 3.48Å; Y387-E420 VanDerWaalsContact CE2-CB 3.48Å; Y387-E420 HydrophobicContact CE2-CG 4.06Å; Y387-E420 HydrophobicContact CG-CB 3.93Å; Y387-L421 HydrophobicContact CD2-CD2 4.5Å
388	E	97.9	Very high	96.2	Very high	114 Å²	114	45.2 Å²	45.2	53%	0.533	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-45.7	174	-71.5	85.3	173.6	0	0	112	D386 V391 K392 L421	D386-E388 VanDerWaalsContact C-N 3.31Å; D386-E388 PolarHBondContact O-N 2.92Å; E388-V391 PolarHBondContact O-N 2.96Å; E388-K392 PolarHBondContact O-N 2.55Å; E388-L421 HydrophobicContact CG-CD1 4.49Å; E388-L421 HydrophobicContact CG-CD2 4.12Å; E388-L421 WeakPolarHBondContact OE1-CD2 3.49Å
389	S	97.5	Very high	96.1	Very high	37 Å²	37	53.3 Å²	53.3	26%	0.259	26%	0.261	S	S	.	.	H	α-helix	trans	-68.9	-37.9	178.4	-60.6	0	0	0	0	111.8	D386 K392 I393	D386-S389 VanDerWaalsContact CG-OG 3.23Å; D386-S389 PolarHBondContact O-N 2.84Å; D386-S389 WeakPolarHBondContact OD1-CB 3.47Å; D386-S389 PolarHBondContact OD1-N 2.7Å; D386-S389 PolarHBondContact OD1-OG 3.09Å; D386-S389 PolarHBondContact OD2-OG 3.09Å; S389-K392 PolarHBondContact O-N 3.09Å; S389-I393 PolarHBondContact O-N 3.32Å; S389-I393 VanDerWaalsContact O-N 3.14Å
390	A	97.4	Very high	95.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174	0	0	0	0	0	111.6	A382 D386 Y387 K392 I393 W394	A382-A390 HydrophobicContact CB-CB 4.12Å; D386-A390 PolarHBondContact O-N 3.41Å; Y387-A390 PolarHBondContact O-N 2.89Å; A390-K392 VanDerWaalsContact C-N 3.32Å; A390-K392 PolarHBondContact O-N 3.48Å; A390-I393 PolarHBondContact O-N 3.06Å; A390-W394 HydrophobicContact CB-CE3 4.11Å; A390-W394 HydrophobicContact CB-CZ3 4.04Å; A390-W394 WeakPolarHBondContact O-CB 3.47Å; A390-W394 PolarHBondContact O-N 3.33Å
391	V	97.8	Very high	95.4	Very high	19 Å²	19	56.7 Å²	56.7	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-40.2	177.4	166.1	0	0	0	0	111.8	Y387 E388 G395 L414 C417 Y418 L421	Y387-V391 WeakPolarHBondContact O-CB 3.41Å; Y387-V391 VanDerWaalsContact O-CG2 3.25Å; Y387-V391 WeakPolarHBondContact O-CG2 3.44Å; Y387-V391 PolarHBondContact O-N 2.83Å; E388-V391 PolarHBondContact O-N 2.96Å; V391-G395 WeakPolarHBondContact O-CA 3.44Å; V391-G395 PolarHBondContact O-N 3.34Å; V391-L414 HydrophobicContact CB-CD2 4.16Å; V391-L414 HydrophobicContact CG1-CD2 4.12Å; V391-L414 HydrophobicContact CG2-CD2 4.09Å; V391-C417 HydrophobicContact CG2-CB 3.48Å; V391-C417 VanDerWaalsContact CG2-CB 3.48Å; V391-Y418 HydrophobicContact CG1-CE1 4.18Å; V391-Y418 HydrophobicContact CG1-CE2 4.04Å; V391-Y418 VanDerWaalsContact CG1-OH 3.32Å; V391-Y418 WeakPolarHBondContact CG1-OH 3.32Å; V391-Y418 HydrophobicContact CG2-CE1 4.5Å; V391-Y418 HydrophobicContact CG2-CE2 4.31Å; V391-L421 HydrophobicContact CG2-CD1 4.23Å
392	K	97.8	Very high	94.7	Very high	137 Å²	137	61 Å²	61	60%	0.596	31%	0.313	S	S	*	.	H	α-helix	trans	-60.8	-52.7	177.5	-175.1	-176	174.7	-170.7	0	111.3	E388 S389 A390 G395 E396	E388-K392 PolarHBondContact O-N 2.55Å; S389-K392 PolarHBondContact O-N 3.09Å; A390-K392 VanDerWaalsContact C-N 3.32Å; A390-K392 PolarHBondContact O-N 3.48Å; K392-G395 PolarHBondContact O-N 2.96Å; K392-E396 VanDerWaalsContact CE-OE1 3.24Å; K392-E396 WeakPolarHBondContact CE-OE1 3.47Å; K392-E396 WeakPolarHBondContact O-CG 3.42Å; K392-E396 PolarHBondContact O-N 3.04Å
393	I	96.8	Very high	94.4	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.108	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-47.7	-176.4	-67.3	-175.8	0	0	0	111.5	M374 M377 Y381 S389 A390 G395 E396 K397	M374-I393 HydrophobicContact CB-CG2 3.88Å; M374-I393 HydrophobicContact CE-CG2 4.22Å; M374-I393 VanDerWaalsContact CE-O 3.32Å; M374-I393 WeakPolarHBondContact CE-O 3.27Å; M374-I393 HydrophobicContact CG-CG2 4.28Å; M374-I393 WeakPolarHBondContact O-CG2 3.3Å; M377-I393 HydrophobicContact CB-CD1 3.79Å; M377-I393 HydrophobicContact CB-CG2 4.47Å; M377-I393 HydrophobicContact CE-CD1 3.73Å; Y381-I393 HydrophobicContact CD2-CD1 3.72Å; Y381-I393 HydrophobicContact CE2-CD1 3.36Å; S389-I393 PolarHBondContact O-N 3.32Å; S389-I393 VanDerWaalsContact O-N 3.14Å; A390-I393 PolarHBondContact O-N 3.06Å; I393-G395 VanDerWaalsContact C-N 3.32Å; I393-G395 PolarHBondContact O-N 3.21Å; I393-E396 PolarHBondContact O-N 2.84Å; I393-K397 PolarHBondContact O-N 3.34Å
394	W	97.6	Very high	94.3	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-30.8	179.2	-72.8	-30.4	0	0	0	112.9	D375 G378 R379 A382 A390 K397 L398 W409 L410 E413 L414	D375-W394 PolarHBondContact O-NE1 3.07Å; G378-W394 VanDerWaalsContact CA-CE2 3.5Å; R379-W394 HydrophobicContact CB-CZ2 4.38Å; R379-W394 HydrophobicContact CG-CH2 4.49Å; R379-W394 HydrophobicContact CG-CZ2 3.81Å; A382-W394 HydrophobicContact CB-CH2 3.93Å; A382-W394 HydrophobicContact CB-CZ3 4.14Å; A390-W394 HydrophobicContact CB-CE3 4.11Å; A390-W394 HydrophobicContact CB-CZ3 4.04Å; A390-W394 WeakPolarHBondContact O-CB 3.47Å; A390-W394 PolarHBondContact O-N 3.33Å; W394-K397 PolarHBondContact O-N 3.17Å; W394-L398 VanDerWaalsContact O-CB 3.29Å; W394-L398 WeakPolarHBondContact O-CB 3.47Å; W394-L398 PolarHBondContact O-N 3.26Å; W394-W409 AromaticContact CE2-CH2 3.82Å; W394-W409 AromaticContact CZ2-CH2 3.96Å; W394-W409 HydrophobicContact CZ2-CH2 3.96Å; W394-W409 HydrophobicContact CZ2-CZ2 4.22Å; W394-W409 AromaticContact NE1-CH2 3.53Å; W394-L410 HydrophobicContact CB-CD2 3.75Å; W394-L410 HydrophobicContact CG-CD2 3.8Å; W394-E413 HydrophobicContact CD2-CB 4.37Å; W394-E413 HydrophobicContact CE3-CB 3.86Å; W394-E413 HydrophobicContact CH2-CB 3.86Å; W394-E413 HydrophobicContact CH2-CG 4.17Å; W394-E413 HydrophobicContact CZ2-CB 4.35Å; W394-E413 HydrophobicContact CZ2-CG 4.46Å; W394-E413 HydrophobicContact CZ3-CB 3.6Å; W394-E413 HydrophobicContact CZ3-CG 4.41Å; W394-L414 HydrophobicContact CB-CD2 3.81Å; W394-L414 HydrophobicContact CB-CG 4.08Å
395	G	97.1	Very high	94	Very high	17 Å²	17	59.3 Å²	59.3	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-49.4	170.8	0	0	0	0	0	112	V391 K392 I393 K397 L398 E399	V391-G395 WeakPolarHBondContact O-CA 3.44Å; V391-G395 PolarHBondContact O-N 3.34Å; K392-G395 PolarHBondContact O-N 2.96Å; I393-G395 VanDerWaalsContact C-N 3.32Å; I393-G395 PolarHBondContact O-N 3.21Å; G395-K397 VanDerWaalsContact C-N 3.29Å; G395-K397 PolarHBondContact O-N 3.01Å; G395-L398 PolarHBondContact O-N 3.47Å; G395-E399 PolarHBondContact O-N 2.93Å
396	E	95.8	Very high	93.7	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-36.6	175.3	-73.1	176.4	-160.5	0	0	112.4	M374 K392 I393	M374-E396 HydrophobicContact CE-CB 3.88Å; K392-E396 VanDerWaalsContact CE-OE1 3.24Å; K392-E396 WeakPolarHBondContact CE-OE1 3.47Å; K392-E396 WeakPolarHBondContact O-CG 3.42Å; K392-E396 PolarHBondContact O-N 3.04Å; I393-E396 PolarHBondContact O-N 2.84Å
397	K	95	Very high	93.6	Very high	9 Å²	9	59.1 Å²	59.1	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-44.7	174.4	-175.1	177.5	166.5	179.3	0	111.2	S371 M374 D375 I393 W394 G395 E399 K400 C401 D406 L410	S371-K397 WeakPolarHBondContact OG-CE 3.47Å; S371-K397 PolarHBondContact OG-NZ 3.02Å; M374-K397 HydrophobicContact CB-CB 4.43Å; M374-K397 HydrophobicContact CB-CD 4.2Å; M374-K397 HydrophobicContact CE-CB 3.74Å; M374-K397 HydrophobicContact SD-CB 4.15Å; M374-K397 HydrophobicContact SD-CG 4.49Å; D375-K397 WeakPolarHBondContact OD1-CD 3.45Å; D375-K397 WeakPolarHBondContact OD1-CE 3.16Å; D375-K397 IonicContact OD1-NZ 3.05Å; D375-K397 PolarHBondContact OD1-NZ 3.46Å; D375-K397 IonicContact OD2-NZ 3.77Å; D375-K397 PolarHBondContact OD2-NZ 3.45Å; I393-K397 PolarHBondContact O-N 3.34Å; W394-K397 PolarHBondContact O-N 3.17Å; G395-K397 VanDerWaalsContact C-N 3.29Å; G395-K397 PolarHBondContact O-N 3.01Å; K397-E399 VanDerWaalsContact C-N 3.29Å; K397-E399 PolarHBondContact O-N 3.25Å; K397-K400 CarbonylContact O-C 3.58Å; K397-K400 PolarHBondContact O-N 2.9Å; K397-C401 PolarHBondContact O-N 3.4Å; K397-C401 VanDerWaalsContact O-N 3.08Å; K397-D406 IonicContact NZ-OD2 3.06Å; K397-L410 HydrophobicContact CB-CD1 4.39Å; K397-L410 HydrophobicContact CB-CD2 4.5Å; K397-L410 HydrophobicContact CD-CD1 4.16Å; K397-L410 HydrophobicContact CD-CD2 4.26Å; K397-L410 HydrophobicContact CG-CD1 4.01Å
398	L	94.2	Very high	93.4	Very high	20 Å²	20	56.3 Å²	56.3	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-37.2	-177.1	-177.3	64.9	0	0	0	112.4	W394 G395 K400 C401 T407 L410 L414 Y430	W394-L398 VanDerWaalsContact O-CB 3.29Å; W394-L398 WeakPolarHBondContact O-CB 3.47Å; W394-L398 PolarHBondContact O-N 3.26Å; G395-L398 PolarHBondContact O-N 3.47Å; L398-K400 PolarHBondContact O-N 3.43Å; L398-C401 WeakPolarHBondContact O-CB 3.34Å; L398-C401 PolarHBondContact O-N 2.88Å; L398-T407 HydrophobicContact CD1-CG2 3.85Å; L398-L410 HydrophobicContact CB-CD1 4.1Å; L398-L410 HydrophobicContact CD1-CB 3.92Å; L398-L410 HydrophobicContact CD1-CD1 4.01Å; L398-L414 HydrophobicContact CD2-CD1 3.72Å; L398-Y430 HydrophobicContact CD2-CD1 4.44Å; L398-Y430 HydrophobicContact CD2-CE1 3.77Å
399	E	93.1	Very high	93.2	Very high	170 Å²	170	53.3 Å²	53.3	79%	0.794	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-27.4	176.5	-71	-179.7	179.8	0	0	113.4	G395 K397	G395-E399 PolarHBondContact O-N 2.93Å; K397-E399 VanDerWaalsContact C-N 3.29Å; K397-E399 PolarHBondContact O-N 3.25Å
400	K	89.1	Confident	93	Very high	146 Å²	146	51.5 Å²	51.5	64%	0.635	26%	0.26	S	S	*	.	H	α-helix	trans	-101.4	-4.3	-178.9	-59.6	175.8	-172.5	170.9	0	112.7	K397 L398	K397-K400 CarbonylContact O-C 3.58Å; K397-K400 PolarHBondContact O-N 2.9Å; L398-K400 PolarHBondContact O-N 3.43Å
401	C	87.5	Confident	93	Very high	28 Å²	28	51.5 Å²	51.5	19%	0.189	26%	0.26	C	S	.	.			trans	-77.3	126.9	-173.2	-170.8	0	0	0	0	111.1	K397 L398 D403 D406 L410	K397-C401 PolarHBondContact O-N 3.4Å; K397-C401 VanDerWaalsContact O-N 3.08Å; L398-C401 WeakPolarHBondContact O-CB 3.34Å; L398-C401 PolarHBondContact O-N 2.88Å; C401-D403 PolarHBondContact SG-O 3.42Å; C401-D406 WeakPolarHBondContact SG-CB 3.19Å; C401-L410 HydrophobicContact CB-CD1 4.19Å
402	T	84.2	Confident	92.9	Very high	138 Å²	138	52.7 Å²	52.7	85%	0.847	26%	0.263	S	S	*	.			trans	-108	-18.2	176.1	58.1	0	0	0	0	113.3
403	D	88.2	Confident	92.7	Very high	76 Å²	76	47.4 Å²	47.4	41%	0.406	24%	0.24	S	C	.	.			trans	-83.6	135	-180	-173.9	-95.9	0	0	0	110.7	C401 L405 D406 T407	C401-D403 PolarHBondContact SG-O 3.42Å; D403-L405 WeakPolarHBondContact OD1-CA 3.29Å; D403-L405 VanDerWaalsContact OD1-CB 3.3Å; D403-L405 WeakPolarHBondContact OD1-CB 3.31Å; D403-L405 PolarHBondContact OD1-N 3.37Å; D403-D406 HydrophobicContact CB-CB 4.13Å; D403-D406 PolarHBondContact OD1-N 3.44Å; D403-D406 VanDerWaalsContact OD1-N 3.08Å; D403-T407 WeakPolarHBondContact O-CB 3.37Å; D403-T407 PolarHBondContact O-N 3.2Å; D403-T407 PolarHBondContact O-OG1 3.4Å
404	E	89.6	Confident	92.8	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-73.7	-35.2	-177.1	-96.6	171.6	-150.3	0	0	112.6	K31 T407 I408 L437 M441	K31-E404 VanDerWaalsContact CD-CD 3.41Å; K31-E404 WeakPolarHBondContact CD-OE1 3.33Å; K31-E404 WeakPolarHBondContact CD-OE2 3.47Å; K31-E404 WeakPolarHBondContact CE-OE1 3.36Å; K31-E404 WeakPolarHBondContact CE-OE2 3.32Å; K31-E404 VanDerWaalsContact NZ-CB 3.31Å; K31-E404 IonicContact NZ-OE1 3.15Å; K31-E404 PolarHBondContact NZ-OE1 3.45Å; K31-E404 IonicContact NZ-OE2 3.7Å; K31-E404 PolarHBondContact NZ-OE2 2.9Å; E404-T407 WeakPolarHBondContact O-CB 3.48Å; E404-T407 PolarHBondContact O-N 2.92Å; E404-I408 VanDerWaalsContact O-CG1 3.25Å; E404-I408 WeakPolarHBondContact O-CG1 3.41Å; E404-I408 PolarHBondContact O-N 3.07Å; E404-L437 HydrophobicContact CG-CD2 4.09Å; E404-M441 HydrophobicContact CB-SD 3.6Å
405	L	89.8	Confident	92.7	Very high	55 Å²	55	46.3 Å²	46.3	29%	0.288	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-43	-179.9	-171.8	66.4	0	0	0	110	D403 T407 I408 W409 M441	D403-L405 WeakPolarHBondContact OD1-CA 3.29Å; D403-L405 VanDerWaalsContact OD1-CB 3.3Å; D403-L405 WeakPolarHBondContact OD1-CB 3.31Å; D403-L405 PolarHBondContact OD1-N 3.37Å; L405-T407 VanDerWaalsContact C-N 3.3Å; L405-T407 PolarHBondContact O-N 2.84Å; L405-I408 PolarHBondContact O-N 3.13Å; L405-W409 PolarHBondContact O-N 3.3Å; L405-M441 HydrophobicContact CB-CE 4.35Å; L405-M441 HydrophobicContact CD1-CE 4.38Å
406	D	88.1	Confident	92.5	Very high	58 Å²	58	50.2 Å²	50.2	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-38.8	172.5	-77.5	9.7	0	0	0	111.5	K397 C401 D403 W409 L410	K397-D406 IonicContact NZ-OD2 3.06Å; C401-D406 WeakPolarHBondContact SG-CB 3.19Å; D403-D406 HydrophobicContact CB-CB 4.13Å; D403-D406 PolarHBondContact OD1-N 3.44Å; D403-D406 VanDerWaalsContact OD1-N 3.08Å; D406-W409 PolarHBondContact O-N 3.04Å; D406-L410 VanDerWaalsContact O-CB 3.31Å; D406-L410 WeakPolarHBondContact O-CB 3.45Å; D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.32Å; D406-L410 PolarHBondContact O-N 2.96Å
407	T	93.6	Very high	92.5	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-43.6	176.4	-58	0	0	0	0	111.3	L398 D403 E404 L405 L410 C411 L437	L398-T407 HydrophobicContact CD1-CG2 3.85Å; D403-T407 WeakPolarHBondContact O-CB 3.37Å; D403-T407 PolarHBondContact O-N 3.2Å; D403-T407 PolarHBondContact O-OG1 3.4Å; E404-T407 WeakPolarHBondContact O-CB 3.48Å; E404-T407 PolarHBondContact O-N 2.92Å; L405-T407 VanDerWaalsContact C-N 3.3Å; L405-T407 PolarHBondContact O-N 2.84Å; T407-L410 PolarHBondContact O-N 3.02Å; T407-C411 WeakPolarHBondContact O-CB 3.42Å; T407-C411 PolarHBondContact O-N 2.95Å; T407-C411 PolarHBondContact O-SG 3.35Å; T407-L437 HydrophobicContact CG2-CD1 3.41Å; T407-L437 VanDerWaalsContact CG2-CD1 3.41Å
408	I	93.7	Very high	92.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-49.6	175.9	-68.7	163.7	0	0	0	110.4	E404 L405 L410 C411 Y412 L437 A438 M441 W446 I450	E404-I408 VanDerWaalsContact O-CG1 3.25Å; E404-I408 WeakPolarHBondContact O-CG1 3.41Å; E404-I408 PolarHBondContact O-N 3.07Å; L405-I408 PolarHBondContact O-N 3.13Å; I408-L410 PolarHBondContact O-N 3.13Å; I408-C411 PolarHBondContact O-N 3.48Å; I408-Y412 PolarHBondContact O-N 3.43Å; I408-L437 HydrophobicContact CD1-CB 3.92Å; I408-L437 HydrophobicContact CG1-CB 3.53Å; I408-L437 HydrophobicContact CG1-CD1 4.36Å; I408-A438 HydrophobicContact CD1-CB 4.14Å; I408-A438 HydrophobicContact CG2-CB 4.38Å; I408-M441 HydrophobicContact CD1-CG 4.4Å; I408-M441 HydrophobicContact CD1-SD 3.42Å; I408-M441 WeakPolarHBondContact CD1-SD 3.48Å; I408-W446 HydrophobicContact CG2-CB 3.83Å; I408-W446 HydrophobicContact CG2-CD2 3.56Å; I408-W446 HydrophobicContact CG2-CE3 3.9Å; I408-W446 HydrophobicContact CG2-CG 3.52Å; I408-I450 HydrophobicContact CG2-CD1 3.73Å
409	W	92.8	Very high	92.6	Very high	50 Å²	50	46.7 Å²	46.7	19%	0.189	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-47	178.8	174.9	81.7	0	0	0	111.7	D375 R379 W394 L405 D406 C411 Y412 E413 W446	D375-W409 HydrophobicContact CB-CH2 3.98Å; D375-W409 HydrophobicContact CB-CZ3 4.31Å; D375-W409 WeakPolarHBondContact OD1-CZ3 3.34Å; R379-W409 HydrophobicContact CG-CZ2 4.44Å; W394-W409 AromaticContact CE2-CH2 3.82Å; W394-W409 AromaticContact CZ2-CH2 3.96Å; W394-W409 HydrophobicContact CZ2-CH2 3.96Å; W394-W409 HydrophobicContact CZ2-CZ2 4.22Å; W394-W409 AromaticContact NE1-CH2 3.53Å; L405-W409 PolarHBondContact O-N 3.3Å; D406-W409 PolarHBondContact O-N 3.04Å; W409-C411 PolarHBondContact O-N 3.15Å; W409-Y412 PolarHBondContact O-N 3.1Å; W409-E413 HydrophobicContact CD2-CG 4.21Å; W409-E413 HydrophobicContact CH2-CG 4.48Å; W409-E413 HydrophobicContact CZ2-CG 3.79Å; W409-E413 PolarHBondContact NE1-OE1 3.26Å; W409-E413 WeakPolarHBondContact O-CG 3.29Å; W409-E413 PolarHBondContact O-N 2.87Å; W409-W446 HydrophobicContact CB-CH2 4.08Å; W409-W446 HydrophobicContact CB-CZ2 3.84Å; W409-W446 AromaticContact CD1-CH2 3.63Å; W409-W446 AromaticContact CD1-CZ2 3.81Å; W409-W446 HydrophobicContact CG-CH2 4.24Å; W409-W446 HydrophobicContact CG-CZ2 4.25Å
410	L	94.6	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-43.9	177.4	-78	169.1	0	0	0	112.2	W394 K397 L398 C401 D406 T407 I408 Y412 E413 L414	W394-L410 HydrophobicContact CB-CD2 3.75Å; W394-L410 HydrophobicContact CG-CD2 3.8Å; K397-L410 HydrophobicContact CB-CD1 4.39Å; K397-L410 HydrophobicContact CB-CD2 4.5Å; K397-L410 HydrophobicContact CD-CD1 4.16Å; K397-L410 HydrophobicContact CD-CD2 4.26Å; K397-L410 HydrophobicContact CG-CD1 4.01Å; L398-L410 HydrophobicContact CB-CD1 4.1Å; L398-L410 HydrophobicContact CD1-CB 3.92Å; L398-L410 HydrophobicContact CD1-CD1 4.01Å; C401-L410 HydrophobicContact CB-CD1 4.19Å; D406-L410 VanDerWaalsContact O-CB 3.31Å; D406-L410 WeakPolarHBondContact O-CB 3.45Å; D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.32Å; D406-L410 PolarHBondContact O-N 2.96Å; T407-L410 PolarHBondContact O-N 3.02Å; I408-L410 PolarHBondContact O-N 3.13Å; L410-Y412 VanDerWaalsContact C-N 3.32Å; L410-Y412 PolarHBondContact O-N 2.97Å; L410-E413 PolarHBondContact O-N 3Å; L410-L414 VanDerWaalsContact O-CB 3.26Å; L410-L414 WeakPolarHBondContact O-CB 3.48Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.49Å; L410-L414 PolarHBondContact O-N 3.49Å
411	C	96.6	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-44.4	175.3	-77.5	0	0	0	0	111.3	T407 I408 W409 G415 Y430	T407-C411 WeakPolarHBondContact O-CB 3.42Å; T407-C411 PolarHBondContact O-N 2.95Å; T407-C411 PolarHBondContact O-SG 3.35Å; I408-C411 PolarHBondContact O-N 3.48Å; W409-C411 PolarHBondContact O-N 3.15Å; C411-G415 PolarHBondContact O-N 3.27Å; C411-Y430 WeakPolarHBondContact CB-O 3.43Å; C411-Y430 WeakPolarHBondContact O-CB 3.45Å
412	Y	95	Very high	93.2	Very high	43 Å²	43	42.4 Å²	42.4	17%	0.169	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-48.3	177.2	176	-102.2	0	0	0	112.4	I408 W409 L410 G415 R416 W446 N449 I450 L453	I408-Y412 PolarHBondContact O-N 3.43Å; W409-Y412 PolarHBondContact O-N 3.1Å; L410-Y412 VanDerWaalsContact C-N 3.32Å; L410-Y412 PolarHBondContact O-N 2.97Å; Y412-G415 PolarHBondContact O-N 3.29Å; Y412-R416 HydrophobicContact CE1-CG 4.26Å; Y412-R416 HydrophobicContact CE2-CG 4.38Å; Y412-R416 VanDerWaalsContact CZ-CD 3.49Å; Y412-R416 WeakPolarHBondContact O-CG 3.38Å; Y412-R416 PolarHBondContact O-N 2.8Å; Y412-W446 HydrophobicContact CD1-CH2 4.11Å; Y412-W446 AromaticContact CD1-CZ3 3.65Å; Y412-W446 HydrophobicContact CD1-CZ3 3.65Å; Y412-W446 HydrophobicContact CD2-CZ3 4.23Å; Y412-W446 HydrophobicContact CE1-CZ3 4.26Å; Y412-W446 HydrophobicContact CG-CE3 4.45Å; Y412-W446 HydrophobicContact CG-CH2 4.42Å; Y412-W446 AromaticContact CG-CZ3 3.61Å; Y412-W446 HydrophobicContact CG-CZ3 3.61Å; Y412-N449 HydrophobicContact CD2-CB 4.45Å; Y412-N449 HydrophobicContact CE2-CB 3.92Å; Y412-N449 WeakPolarHBondContact CE2-O 3.33Å; Y412-I450 HydrophobicContact CD2-CG1 4.1Å; Y412-L453 HydrophobicContact CD2-CB 4.31Å; Y412-L453 HydrophobicContact CD2-CD2 3.98Å; Y412-L453 HydrophobicContact CE2-CB 4.16Å
413	E	94.8	Very high	93.9	Very high	27 Å²	27	40.4 Å²	40.4	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-38.1	-179.6	-67.5	-62.1	172.1	0	0	113	W394 W409 L410 R416 C417	W394-E413 HydrophobicContact CD2-CB 4.37Å; W394-E413 HydrophobicContact CE3-CB 3.86Å; W394-E413 HydrophobicContact CH2-CB 3.86Å; W394-E413 HydrophobicContact CH2-CG 4.17Å; W394-E413 HydrophobicContact CZ2-CB 4.35Å; W394-E413 HydrophobicContact CZ2-CG 4.46Å; W394-E413 HydrophobicContact CZ3-CB 3.6Å; W394-E413 HydrophobicContact CZ3-CG 4.41Å; W409-E413 HydrophobicContact CD2-CG 4.21Å; W409-E413 HydrophobicContact CH2-CG 4.48Å; W409-E413 HydrophobicContact CZ2-CG 3.79Å; W409-E413 PolarHBondContact NE1-OE1 3.26Å; W409-E413 WeakPolarHBondContact O-CG 3.29Å; W409-E413 PolarHBondContact O-N 2.87Å; L410-E413 PolarHBondContact O-N 3Å; E413-R416 PolarHBondContact O-N 3.27Å; E413-R416 IonicContact OE2-NH1 2.85Å; E413-R416 PolarHBondContact OE2-NH1 3.25Å; E413-C417 PolarHBondContact O-N 3.04Å; E413-C417 PolarHBondContact O-SG 3.03Å
414	L	97.4	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-45.2	172.1	-75.5	170.9	0	0	0	111.1	V391 W394 L398 L410 R416 C417 Y418 Y430	V391-L414 HydrophobicContact CB-CD2 4.16Å; V391-L414 HydrophobicContact CG1-CD2 4.12Å; V391-L414 HydrophobicContact CG2-CD2 4.09Å; W394-L414 HydrophobicContact CB-CD2 3.81Å; W394-L414 HydrophobicContact CB-CG 4.08Å; L398-L414 HydrophobicContact CD2-CD1 3.72Å; L410-L414 VanDerWaalsContact O-CB 3.26Å; L410-L414 WeakPolarHBondContact O-CB 3.48Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.49Å; L410-L414 PolarHBondContact O-N 3.49Å; L414-R416 PolarHBondContact O-N 3.19Å; L414-C417 PolarHBondContact O-N 3.31Å; L414-Y418 WeakPolarHBondContact O-CD2 3.47Å; L414-Y418 PolarHBondContact O-N 3.13Å; L414-Y430 HydrophobicContact CB-CD1 4.03Å; L414-Y430 HydrophobicContact CB-CD2 4.39Å; L414-Y430 HydrophobicContact CB-CE1 4.2Å; L414-Y430 HydrophobicContact CB-CG 4.13Å; L414-Y430 HydrophobicContact CD1-CD1 4Å; L414-Y430 HydrophobicContact CD1-CE1 3.51Å; L414-Y430 HydrophobicContact CG-CE1 4.47Å
415	G	96.5	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.9	0	0	0	0	0	112.1	C411 Y412 C417 Y418 L419 S427	C411-G415 PolarHBondContact O-N 3.27Å; Y412-G415 PolarHBondContact O-N 3.29Å; G415-C417 PolarHBondContact O-N 3.01Å; G415-Y418 PolarHBondContact O-N 3.5Å; G415-Y418 VanDerWaalsContact O-N 3.11Å; G415-L419 PolarHBondContact O-N 3.16Å; G415-S427 VanDerWaalsContact O-CB 3.28Å; G415-S427 WeakPolarHBondContact O-CB 3.39Å; G415-S427 PolarHBondContact O-OG 3.35Å; G415-S427 VanDerWaalsContact O-OG 3.08Å
416	R	93.1	Very high	94.9	Very high	99 Å²	99	42 Å²	42	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-57.4	-46.1	172.7	-74.1	-174.3	64.1	-121.4	-4.9	112.6	Y412 E413 L414 Y418 L419 E420 L453	Y412-R416 HydrophobicContact CE1-CG 4.26Å; Y412-R416 HydrophobicContact CE2-CG 4.38Å; Y412-R416 VanDerWaalsContact CZ-CD 3.49Å; Y412-R416 WeakPolarHBondContact O-CG 3.38Å; Y412-R416 PolarHBondContact O-N 2.8Å; E413-R416 PolarHBondContact O-N 3.27Å; E413-R416 IonicContact OE2-NH1 2.85Å; E413-R416 PolarHBondContact OE2-NH1 3.25Å; L414-R416 PolarHBondContact O-N 3.19Å; R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 PolarHBondContact O-N 2.9Å; R416-L419 WeakPolarHBondContact O-CB 3.27Å; R416-L419 PolarHBondContact O-N 2.9Å; R416-E420 PolarHBondContact O-N 3.33Å; R416-L453 HydrophobicContact CB-CD1 4.5Å; R416-L453 HydrophobicContact CG-CD1 3.82Å
417	C	95.9	Very high	95.4	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-40.4	176	-68.5	0	0	0	0	111.7	Y387 V391 E413 L414 G415 L419 E420 L421	Y387-C417 HydrophobicContact CD1-CB 4.37Å; V391-C417 HydrophobicContact CG2-CB 3.48Å; V391-C417 VanDerWaalsContact CG2-CB 3.48Å; E413-C417 PolarHBondContact O-N 3.04Å; E413-C417 PolarHBondContact O-SG 3.03Å; L414-C417 PolarHBondContact O-N 3.31Å; G415-C417 PolarHBondContact O-N 3.01Å; C417-L419 VanDerWaalsContact C-N 3.33Å; C417-L419 PolarHBondContact O-N 3.31Å; C417-E420 PolarHBondContact O-N 3.24Å; C417-L421 WeakPolarHBondContact O-CB 3.15Å; C417-L421 VanDerWaalsContact O-CG 3.26Å; C417-L421 WeakPolarHBondContact O-CG 3.31Å; C417-L421 PolarHBondContact O-N 3.27Å
418	Y	97.9	Very high	95.6	Very high	20 Å²	20	40.2 Å²	40.2	8%	0.078	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-29.7	176.9	-78.1	-60.6	0	0	0	113.6	V391 L414 G415 R416 L421 Q422 K423 K426 Y430	V391-Y418 HydrophobicContact CG1-CE1 4.18Å; V391-Y418 HydrophobicContact CG1-CE2 4.04Å; V391-Y418 VanDerWaalsContact CG1-OH 3.32Å; V391-Y418 WeakPolarHBondContact CG1-OH 3.32Å; V391-Y418 HydrophobicContact CG2-CE1 4.5Å; V391-Y418 HydrophobicContact CG2-CE2 4.31Å; L414-Y418 WeakPolarHBondContact O-CD2 3.47Å; L414-Y418 PolarHBondContact O-N 3.13Å; G415-Y418 PolarHBondContact O-N 3.5Å; G415-Y418 VanDerWaalsContact O-N 3.11Å; R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 PolarHBondContact O-N 2.9Å; Y418-L421 HydrophobicContact CD1-CD1 4.31Å; Y418-Q422 PolarHBondContact O-N 3.48Å; Y418-K423 HydrophobicContact CD1-CB 4.03Å; Y418-K423 HydrophobicContact CD1-CD 4.08Å; Y418-K423 HydrophobicContact CE1-CD 4.35Å; Y418-K423 CarbonylContact O-C 3.48Å; Y418-K423 WeakPolarHBondContact O-CA 3.48Å; Y418-K423 PolarHBondContact O-N 3.02Å; Y418-K426 HydrophobicContact CD1-CB 3.78Å; Y418-K426 HydrophobicContact CD1-CD 3.74Å; Y418-K426 HydrophobicContact CD1-CG 4.4Å; Y418-K426 HydrophobicContact CD2-CB 3.9Å; Y418-K426 HydrophobicContact CE1-CB 4.14Å; Y418-K426 HydrophobicContact CE1-CD 3.32Å; Y418-K426 HydrophobicContact CE1-CG 4.38Å; Y418-K426 HydrophobicContact CE2-CB 4.29Å; Y418-K426 HydrophobicContact CE2-CD 4.33Å; Y418-K426 HydrophobicContact CG-CB 3.63Å; Y418-K426 HydrophobicContact CG-CD 4.37Å; Y418-Y430 AromaticContact CD2-CD2 3.69Å; Y418-Y430 HydrophobicContact CD2-CD2 3.69Å; Y418-Y430 AromaticContact CD2-CE2 3.77Å; Y418-Y430 HydrophobicContact CD2-CE2 3.77Å; Y418-Y430 AromaticContact CE2-CD2 3.65Å; Y418-Y430 HydrophobicContact CE2-CD2 3.65Å; Y418-Y430 AromaticContact CE2-CE2 3.21Å; Y418-Y430 HydrophobicContact CE2-CE2 3.21Å
419	L	92.8	Very high	95.7	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-45.6	169.4	-74.1	-178.5	0	0	0	112.4	G415 R416 C417 L421 Q422 P424 S427 L453 Q456 Q460	G415-L419 PolarHBondContact O-N 3.16Å; R416-L419 WeakPolarHBondContact O-CB 3.27Å; R416-L419 PolarHBondContact O-N 2.9Å; C417-L419 VanDerWaalsContact C-N 3.33Å; C417-L419 PolarHBondContact O-N 3.31Å; L419-L421 VanDerWaalsContact C-N 3.27Å; L419-L421 PolarHBondContact O-N 3.08Å; L419-Q422 PolarHBondContact O-N 2.92Å; L419-P424 HydrophobicContact CD2-CB 4.3Å; L419-S427 WeakPolarHBondContact CD2-OG 2.96Å; L419-S427 VanDerWaalsContact CG-OG 3.22Å; L419-S427 WeakPolarHBondContact CG-OG 3.36Å; L419-L453 HydrophobicContact CD1-CD1 3.45Å; L419-L453 VanDerWaalsContact CD1-CD1 3.45Å; L419-L453 HydrophobicContact CG-CD1 4.12Å; L419-Q456 HydrophobicContact CD1-CB 3.78Å; L419-Q460 PolarHBondContact O-NE2 3.04Å
420	E	92.6	Very high	96	Very high	102 Å²	102	45.9 Å²	45.9	48%	0.477	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-35.9	179.2	-63.3	-63.9	167.9	0	0	111.1	Y387 R416 C417 Q422	Y387-E420 HydrophobicContact CD1-CB 4.05Å; Y387-E420 HydrophobicContact CD1-CG 4.32Å; Y387-E420 HydrophobicContact CD2-CB 3.65Å; Y387-E420 HydrophobicContact CE1-CB 3.89Å; Y387-E420 HydrophobicContact CE1-CG 3.78Å; Y387-E420 HydrophobicContact CE2-CB 3.48Å; Y387-E420 VanDerWaalsContact CE2-CB 3.48Å; Y387-E420 HydrophobicContact CE2-CG 4.06Å; Y387-E420 HydrophobicContact CG-CB 3.93Å; R416-E420 PolarHBondContact O-N 3.33Å; C417-E420 PolarHBondContact O-N 3.24Å; E420-Q422 PolarHBondContact O-N 3.47Å; E420-Q422 VanDerWaalsContact O-N 3.16Å
421	L	96.2	Very high	96.1	Very high	29 Å²	29	45.9 Å²	45.9	15%	0.152	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	5.1	172.9	-68.3	175.8	0	0	0	114.8	Y387 E388 V391 C417 Y418 L419 K423	Y387-L421 HydrophobicContact CD2-CD2 4.5Å; E388-L421 HydrophobicContact CG-CD1 4.49Å; E388-L421 HydrophobicContact CG-CD2 4.12Å; E388-L421 WeakPolarHBondContact OE1-CD2 3.49Å; V391-L421 HydrophobicContact CG2-CD1 4.23Å; C417-L421 WeakPolarHBondContact O-CB 3.15Å; C417-L421 VanDerWaalsContact O-CG 3.26Å; C417-L421 WeakPolarHBondContact O-CG 3.31Å; C417-L421 PolarHBondContact O-N 3.27Å; Y418-L421 HydrophobicContact CD1-CD1 4.31Å; L419-L421 VanDerWaalsContact C-N 3.27Å; L419-L421 PolarHBondContact O-N 3.08Å; L421-K423 HydrophobicContact CB-CD 4.35Å; L421-K423 PolarHBondContact O-N 3.48Å
422	Q	94.6	Very high	96.1	Very high	122 Å²	122	50.3 Å²	50.3	57%	0.57	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	36.3	-177.3	-54.9	-63	-42.6	0	0	113	Y418 L419 E420 P424	Y418-Q422 PolarHBondContact O-N 3.48Å; L419-Q422 PolarHBondContact O-N 2.92Å; E420-Q422 PolarHBondContact O-N 3.47Å; E420-Q422 VanDerWaalsContact O-N 3.16Å; Q422-P424 VanDerWaalsContact O-CD 3.26Å; Q422-P424 WeakPolarHBondContact O-CD 3.41Å
423	K	97	Very high	96.1	Very high	97 Å²	97	53.1 Å²	53.1	42%	0.422	24%	0.243	S	C	.	.			trans	-117.5	64.3	176.8	-68.9	172.8	-174.1	167.1	0	110.2	Y418 L421 N425 K426 S427	Y418-K423 HydrophobicContact CD1-CB 4.03Å; Y418-K423 HydrophobicContact CD1-CD 4.08Å; Y418-K423 HydrophobicContact CE1-CD 4.35Å; Y418-K423 CarbonylContact O-C 3.48Å; Y418-K423 WeakPolarHBondContact O-CA 3.48Å; Y418-K423 PolarHBondContact O-N 3.02Å; L421-K423 HydrophobicContact CB-CD 4.35Å; L421-K423 PolarHBondContact O-N 3.48Å; K423-N425 VanDerWaalsContact C-N 3.3Å; K423-N425 PolarHBondContact O-N 3.39Å; K423-K426 HydrophobicContact CB-CB 4.5Å; K423-K426 PolarHBondContact O-N 3.49Å; K423-K426 VanDerWaalsContact O-N 3.11Å; K423-S427 PolarHBondContact O-N 3.14Å; K423-S427 VanDerWaalsContact O-N 3.17Å
424	P	95.6	Very high	96.1	Very high	17 Å²	17	51.9 Å²	51.9	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-25.8	-170.2	28.6	-38.6	0	0	0	114.4	L419 Q422 K426 S427 F428 Q460 L461	L419-P424 HydrophobicContact CD2-CB 4.3Å; Q422-P424 VanDerWaalsContact O-CD 3.26Å; Q422-P424 WeakPolarHBondContact O-CD 3.41Å; P424-K426 PolarHBondContact O-N 3.4Å; P424-S427 WeakPolarHBondContact O-CB 3.39Å; P424-S427 PolarHBondContact O-N 2.96Å; P424-F428 WeakPolarHBondContact O-CB 3.27Å; P424-F428 PolarHBondContact O-N 3.45Å; P424-Q460 HydrophobicContact CB-CB 3.5Å; P424-Q460 HydrophobicContact CB-CG 4.42Å; P424-Q460 HydrophobicContact CG-CB 3.79Å; P424-L461 HydrophobicContact CB-CD2 4.07Å; P424-L461 HydrophobicContact CB-CG 3.93Å; P424-L461 HydrophobicContact CG-CD2 3.64Å; P424-L461 HydrophobicContact CG-CG 4.01Å
425	N	97.4	Very high	96.1	Very high	96 Å²	96	53.4 Å²	53.4	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-45.7	172.3	-71.9	-51	0	0	0	111.5	K423 F428 E429 L461	K423-N425 VanDerWaalsContact C-N 3.3Å; K423-N425 PolarHBondContact O-N 3.39Å; N425-F428 WeakPolarHBondContact O-CB 3.49Å; N425-F428 PolarHBondContact O-N 3.42Å; N425-E429 WeakPolarHBondContact O-CG 3.46Å; N425-E429 PolarHBondContact O-N 3.47Å; N425-L461 WeakPolarHBondContact OD1-CD2 3.39Å
426	K	97.5	Very high	96	Very high	91 Å²	91	59.1 Å²	59.1	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-40.3	176.3	-71.2	-166.8	170.7	-163.6	0	111.4	Y418 K423 P424 F428 E429 Y430	Y418-K426 HydrophobicContact CD1-CB 3.78Å; Y418-K426 HydrophobicContact CD1-CD 3.74Å; Y418-K426 HydrophobicContact CD1-CG 4.4Å; Y418-K426 HydrophobicContact CD2-CB 3.9Å; Y418-K426 HydrophobicContact CE1-CB 4.14Å; Y418-K426 HydrophobicContact CE1-CD 3.32Å; Y418-K426 HydrophobicContact CE1-CG 4.38Å; Y418-K426 HydrophobicContact CE2-CB 4.29Å; Y418-K426 HydrophobicContact CE2-CD 4.33Å; Y418-K426 HydrophobicContact CG-CB 3.63Å; Y418-K426 HydrophobicContact CG-CD 4.37Å; K423-K426 HydrophobicContact CB-CB 4.5Å; K423-K426 PolarHBondContact O-N 3.49Å; K423-K426 VanDerWaalsContact O-N 3.11Å; P424-K426 PolarHBondContact O-N 3.4Å; K426-F428 VanDerWaalsContact C-N 3.29Å; K426-F428 PolarHBondContact O-N 2.63Å; K426-E429 PolarHBondContact O-N 3.15Å; K426-Y430 VanDerWaalsContact O-CD2 3.27Å; K426-Y430 WeakPolarHBondContact O-CD2 3.1Å; K426-Y430 PolarHBondContact O-N 3.15Å
427	S	97.3	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-47.4	174.2	174.4	0	0	0	0	111.7	G415 L419 K423 P424 Y430 G431 S457	G415-S427 VanDerWaalsContact O-CB 3.28Å; G415-S427 WeakPolarHBondContact O-CB 3.39Å; G415-S427 PolarHBondContact O-OG 3.35Å; G415-S427 VanDerWaalsContact O-OG 3.08Å; L419-S427 WeakPolarHBondContact CD2-OG 2.96Å; L419-S427 VanDerWaalsContact CG-OG 3.22Å; L419-S427 WeakPolarHBondContact CG-OG 3.36Å; K423-S427 PolarHBondContact O-N 3.14Å; K423-S427 VanDerWaalsContact O-N 3.17Å; P424-S427 WeakPolarHBondContact O-CB 3.39Å; P424-S427 PolarHBondContact O-N 2.96Å; S427-Y430 PolarHBondContact O-N 3.44Å; S427-G431 PolarHBondContact O-N 3.27Å; S427-S457 WeakPolarHBondContact CB-OG 2.93Å; S427-S457 PolarHBondContact OG-OG 3.39Å
428	F	97.6	Very high	95.9	Very high	38 Å²	38	56.1 Å²	56.1	17%	0.167	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-48.2	177	-179.5	-95.2	0	0	0	111.8	P424 N425 K426 Y430 G431 E432 I454 L461	P424-F428 WeakPolarHBondContact O-CB 3.27Å; P424-F428 PolarHBondContact O-N 3.45Å; N425-F428 WeakPolarHBondContact O-CB 3.49Å; N425-F428 PolarHBondContact O-N 3.42Å; K426-F428 VanDerWaalsContact C-N 3.29Å; K426-F428 PolarHBondContact O-N 2.63Å; F428-Y430 PolarHBondContact O-N 2.98Å; F428-G431 CarbonylContact O-C 3.56Å; F428-G431 WeakPolarHBondContact O-CA 3.42Å; F428-G431 PolarHBondContact O-N 2.98Å; F428-G431 VanDerWaalsContact O-N 3.09Å; F428-E432 HydrophobicContact CD1-CG 4.24Å; F428-E432 HydrophobicContact CE1-CG 3.78Å; F428-E432 WeakPolarHBondContact CE1-OE1 3.38Å; F428-E432 WeakPolarHBondContact CE1-OE2 3.41Å; F428-E432 HydrophobicContact CE2-CG 4.27Å; F428-E432 HydrophobicContact CZ-CG 3.78Å; F428-E432 VanDerWaalsContact CZ-OE1 3.25Å; F428-E432 WeakPolarHBondContact CZ-OE1 3.26Å; F428-E432 PolarHBondContact O-N 2.72Å; F428-I454 HydrophobicContact CD2-CG2 4Å; F428-I454 HydrophobicContact CE2-CG2 3.79Å; F428-L461 HydrophobicContact CB-CD1 4.43Å
429	E	97.5	Very high	95.8	Very high	117 Å²	117	58.3 Å²	58.3	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-56.3	-45.6	177.3	-73.9	171.2	-172.4	0	0	113	N425 K426 K433	N425-E429 WeakPolarHBondContact O-CG 3.46Å; N425-E429 PolarHBondContact O-N 3.47Å; K426-E429 PolarHBondContact O-N 3.15Å; E429-K433 WeakPolarHBondContact O-CB 3.29Å; E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 VanDerWaalsContact O-N 3.11Å
430	Y	97.2	Very high	95.8	Very high	51 Å²	51	61.2 Å²	61.2	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-35.6	176.1	-80.5	-77.7	0	0	0	112.1	L398 C411 L414 Y418 K426 S427 F428 G434	L398-Y430 HydrophobicContact CD2-CD1 4.44Å; L398-Y430 HydrophobicContact CD2-CE1 3.77Å; C411-Y430 WeakPolarHBondContact CB-O 3.43Å; C411-Y430 WeakPolarHBondContact O-CB 3.45Å; L414-Y430 HydrophobicContact CB-CD1 4.03Å; L414-Y430 HydrophobicContact CB-CD2 4.39Å; L414-Y430 HydrophobicContact CB-CE1 4.2Å; L414-Y430 HydrophobicContact CB-CG 4.13Å; L414-Y430 HydrophobicContact CD1-CD1 4Å; L414-Y430 HydrophobicContact CD1-CE1 3.51Å; L414-Y430 HydrophobicContact CG-CE1 4.47Å; Y418-Y430 AromaticContact CD2-CD2 3.69Å; Y418-Y430 HydrophobicContact CD2-CD2 3.69Å; Y418-Y430 AromaticContact CD2-CE2 3.77Å; Y418-Y430 HydrophobicContact CD2-CE2 3.77Å; Y418-Y430 AromaticContact CE2-CD2 3.65Å; Y418-Y430 HydrophobicContact CE2-CD2 3.65Å; Y418-Y430 AromaticContact CE2-CE2 3.21Å; Y418-Y430 HydrophobicContact CE2-CE2 3.21Å; K426-Y430 VanDerWaalsContact O-CD2 3.27Å; K426-Y430 WeakPolarHBondContact O-CD2 3.1Å; K426-Y430 PolarHBondContact O-N 3.15Å; S427-Y430 PolarHBondContact O-N 3.44Å; F428-Y430 PolarHBondContact O-N 2.98Å; Y430-G434 PolarHBondContact O-N 2.99Å
431	G	96.7	Very high	95.7	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-51.6	172.8	0	0	0	0	0	111.9	S427 F428 K433 G434 L435 I450	S427-G431 PolarHBondContact O-N 3.27Å; F428-G431 CarbonylContact O-C 3.56Å; F428-G431 WeakPolarHBondContact O-CA 3.42Å; F428-G431 PolarHBondContact O-N 2.98Å; F428-G431 VanDerWaalsContact O-N 3.09Å; G431-K433 PolarHBondContact O-N 2.98Å; G431-G434 PolarHBondContact O-N 3.12Å; G431-L435 WeakPolarHBondContact O-CB 3.39Å; G431-L435 PolarHBondContact O-N 2.72Å; G431-I450 WeakPolarHBondContact O-CG2 3.36Å
432	E	97	Very high	95.5	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-48	177.1	-72.2	-168.8	125.4	0	0	111.8	F428 G434 L435 D436	F428-E432 HydrophobicContact CD1-CG 4.24Å; F428-E432 HydrophobicContact CE1-CG 3.78Å; F428-E432 WeakPolarHBondContact CE1-OE1 3.38Å; F428-E432 WeakPolarHBondContact CE1-OE2 3.41Å; F428-E432 HydrophobicContact CE2-CG 4.27Å; F428-E432 HydrophobicContact CZ-CG 3.78Å; F428-E432 VanDerWaalsContact CZ-OE1 3.25Å; F428-E432 WeakPolarHBondContact CZ-OE1 3.26Å; F428-E432 PolarHBondContact O-N 2.72Å; E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 PolarHBondContact O-N 3.17Å; E432-L435 PolarHBondContact O-N 3.38Å; E432-L435 VanDerWaalsContact O-N 3.08Å; E432-D436 PolarHBondContact O-N 3.48Å
433	K	95.7	Very high	95.3	Very high	103 Å²	103	57.2 Å²	57.2	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-57.9	-40.4	177.5	-175.7	-179.6	175.9	-174.4	0	112.4	E429 G431	E429-K433 WeakPolarHBondContact O-CB 3.29Å; E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 VanDerWaalsContact O-N 3.11Å; G431-K433 PolarHBondContact O-N 2.98Å
434	G	95.2	Very high	95	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.1	-38.7	175.6	0	0	0	0	0	112.7	Y430 G431 E432 L437 A438	Y430-G434 PolarHBondContact O-N 2.99Å; G431-G434 PolarHBondContact O-N 3.12Å; E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 PolarHBondContact O-N 3.17Å; G434-L437 PolarHBondContact O-N 3.19Å; G434-A438 WeakPolarHBondContact O-CB 3.27Å; G434-A438 PolarHBondContact O-N 3.19Å
435	L	96.8	Very high	94.7	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-44.5	-178.5	-174.4	60	0	0	0	111.3	G431 E432 L437 A438 C439 Q447 I450 N451 I454	G431-L435 WeakPolarHBondContact O-CB 3.39Å; G431-L435 PolarHBondContact O-N 2.72Å; E432-L435 PolarHBondContact O-N 3.38Å; E432-L435 VanDerWaalsContact O-N 3.08Å; L435-L437 VanDerWaalsContact C-N 3.26Å; L435-L437 PolarHBondContact O-N 2.87Å; L435-A438 PolarHBondContact O-N 3.14Å; L435-A438 VanDerWaalsContact O-N 3.16Å; L435-C439 WeakPolarHBondContact O-CB 3.47Å; L435-C439 PolarHBondContact O-N 3.2Å; L435-C439 PolarHBondContact O-SG 3.48Å; L435-Q447 HydrophobicContact CD1-CB 4.18Å; L435-Q447 HydrophobicContact CD1-CG 4.15Å; L435-I450 HydrophobicContact CB-CG2 3.71Å; L435-I450 HydrophobicContact CD1-CB 4.47Å; L435-I450 HydrophobicContact CD1-CG2 4.33Å; L435-N451 WeakPolarHBondContact CD1-ND2 3.46Å; L435-I454 HydrophobicContact CB-CD1 4.25Å; L435-I454 HydrophobicContact CD2-CD1 3.75Å
436	D	95.2	Very high	94.4	Very high	120 Å²	120	56.1 Å²	56.1	64%	0.642	28%	0.282	S	S	*	.	H	α-helix	trans	-55.7	-44.1	177.7	-77.7	-16.3	0	0	0	111.5	E432 S440	E432-D436 PolarHBondContact O-N 3.48Å; D436-S440 WeakPolarHBondContact O-CB 3.35Å; D436-S440 PolarHBondContact O-N 3.3Å
437	L	94.1	Very high	94.3	Very high	39 Å²	39	53 Å²	53	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-45.7	176.8	-68.5	176.7	0	0	0	111.7	E404 T407 I408 G434 L435 C439 S440 M441	E404-L437 HydrophobicContact CG-CD2 4.09Å; T407-L437 HydrophobicContact CG2-CD1 3.41Å; T407-L437 VanDerWaalsContact CG2-CD1 3.41Å; I408-L437 HydrophobicContact CD1-CB 3.92Å; I408-L437 HydrophobicContact CG1-CB 3.53Å; I408-L437 HydrophobicContact CG1-CD1 4.36Å; G434-L437 PolarHBondContact O-N 3.19Å; L435-L437 VanDerWaalsContact C-N 3.26Å; L435-L437 PolarHBondContact O-N 2.87Å; L437-C439 VanDerWaalsContact C-N 3.31Å; L437-C439 PolarHBondContact O-N 3.07Å; L437-S440 WeakPolarHBondContact O-CB 3.4Å; L437-S440 PolarHBondContact O-N 3.47Å; L437-S440 VanDerWaalsContact O-N 3.09Å; L437-S440 PolarHBondContact O-OG 2.98Å; L437-M441 WeakPolarHBondContact O-CG 3.23Å; L437-M441 PolarHBondContact O-N 3.21Å
438	A	92.9	Very high	94	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-36.5	178.4	0	0	0	0	0	112.7	I408 G434 L435 M441 N442 D443 W446 Q447 I450	I408-A438 HydrophobicContact CD1-CB 4.14Å; I408-A438 HydrophobicContact CG2-CB 4.38Å; G434-A438 WeakPolarHBondContact O-CB 3.27Å; G434-A438 PolarHBondContact O-N 3.19Å; L435-A438 PolarHBondContact O-N 3.14Å; L435-A438 VanDerWaalsContact O-N 3.16Å; A438-M441 PolarHBondContact O-N 3.38Å; A438-N442 PolarHBondContact O-N 3.24Å; A438-N442 VanDerWaalsContact O-N 3.11Å; A438-D443 PolarHBondContact O-N 3.31Å; A438-W446 HydrophobicContact CB-CB 3.78Å; A438-Q447 HydrophobicContact CB-CG 3.87Å; A438-Q447 PolarHBondContact O-NE2 3.41Å; A438-Q447 VanDerWaalsContact O-NE2 3.07Å; A438-I450 HydrophobicContact CB-CD1 4.07Å
439	C	94.3	Very high	93.5	Very high	67 Å²	67	53.9 Å²	53.9	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-46	170.5	-74	0	0	0	0	111.2	L435 L437 M441 N442	L435-C439 WeakPolarHBondContact O-CB 3.47Å; L435-C439 PolarHBondContact O-N 3.2Å; L435-C439 PolarHBondContact O-SG 3.48Å; L437-C439 VanDerWaalsContact C-N 3.31Å; L437-C439 PolarHBondContact O-N 3.07Å; C439-M441 VanDerWaalsContact C-N 3.26Å; C439-M441 PolarHBondContact O-N 3.3Å; C439-N442 PolarHBondContact O-N 3.5Å; C439-N442 VanDerWaalsContact O-N 3.09Å
440	S	93.8	Very high	93.4	Very high	72 Å²	72	48.3 Å²	48.3	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-31.3	178.3	81.6	0	0	0	0	113.4	D436 L437	D436-S440 WeakPolarHBondContact O-CB 3.35Å; D436-S440 PolarHBondContact O-N 3.3Å; L437-S440 WeakPolarHBondContact O-CB 3.4Å; L437-S440 PolarHBondContact O-N 3.47Å; L437-S440 VanDerWaalsContact O-N 3.09Å; L437-S440 PolarHBondContact O-OG 2.98Å
441	M	90.6	Very high	93.3	Very high	46 Å²	46	46.5 Å²	46.5	23%	0.227	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.3	177.2	-68.9	-175	65.8	0	0	113.5	E404 L405 I408 L437 A438 C439 D443	E404-M441 HydrophobicContact CB-SD 3.6Å; L405-M441 HydrophobicContact CB-CE 4.35Å; L405-M441 HydrophobicContact CD1-CE 4.38Å; I408-M441 HydrophobicContact CD1-CG 4.4Å; I408-M441 HydrophobicContact CD1-SD 3.42Å; I408-M441 WeakPolarHBondContact CD1-SD 3.48Å; L437-M441 WeakPolarHBondContact O-CG 3.23Å; L437-M441 PolarHBondContact O-N 3.21Å; A438-M441 PolarHBondContact O-N 3.38Å; C439-M441 VanDerWaalsContact C-N 3.26Å; C439-M441 PolarHBondContact O-N 3.3Å; M441-D443 HydrophobicContact CB-CB 4.45Å; M441-D443 PolarHBondContact O-N 3.42Å
442	N	91.7	Very high	93.1	Very high	78 Å²	78	47.7 Å²	47.7	42%	0.417	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.3	-171.6	-164.2	31.4	0	0	0	113.1	A438 C439 K444	A438-N442 PolarHBondContact O-N 3.24Å; A438-N442 VanDerWaalsContact O-N 3.11Å; C439-N442 PolarHBondContact O-N 3.5Å; C439-N442 VanDerWaalsContact O-N 3.09Å; N442-K444 PolarHBondContact O-N 2.95Å
443	D	89.5	Confident	92.9	Very high	45 Å²	45	43.4 Å²	43.4	24%	0.241	23%	0.23	C	C	.	.			trans	-86.9	91	177.5	-166.8	-37	0	0	0	109.9	A438 M441 L445 W446 Q447	A438-D443 PolarHBondContact O-N 3.31Å; M441-D443 HydrophobicContact CB-CB 4.45Å; M441-D443 PolarHBondContact O-N 3.42Å; D443-L445 PolarHBondContact O-N 3.43Å; D443-L445 PolarHBondContact OD1-N 3.46Å; D443-L445 VanDerWaalsContact OD1-N 3.12Å; D443-W446 HydrophobicContact CB-CB 4.23Å; D443-W446 PolarHBondContact O-N 3.01Å; D443-W446 PolarHBondContact OD1-N 3.02Å; D443-W446 VanDerWaalsContact OD1-N 3.08Å; D443-W446 VanDerWaalsContact OD2-CD1 3.31Å; D443-Q447 VanDerWaalsContact O-CG 3.28Å; D443-Q447 WeakPolarHBondContact O-CG 3.42Å; D443-Q447 PolarHBondContact O-N 3.11Å
444	K	92.2	Very high	93	Very high	57 Å²	57	39 Å²	39	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-30.5	-177.8	-71.5	176.3	177.2	177.2	0	113.4	N442 L448 L477 E480 L481	N442-K444 PolarHBondContact O-N 2.95Å; K444-L448 WeakPolarHBondContact O-CB 3.45Å; K444-L448 PolarHBondContact O-N 3.48Å; K444-L477 HydrophobicContact CB-CD2 4.16Å; K444-L477 HydrophobicContact CG-CD2 4.08Å; K444-E480 VanDerWaalsContact CD-OE2 3.29Å; K444-E480 WeakPolarHBondContact CD-OE2 3.27Å; K444-E480 WeakPolarHBondContact CE-OE2 3.47Å; K444-E480 IonicContact NZ-OE1 2.55Å; K444-E480 PolarHBondContact NZ-OE1 3.12Å; K444-E480 IonicContact NZ-OE2 3.86Å; K444-E480 PolarHBondContact NZ-OE2 3.32Å; K444-L481 HydrophobicContact CB-CD1 4.24Å; K444-L481 HydrophobicContact CB-CD2 3.98Å; K444-L481 HydrophobicContact CB-CG 4.26Å
445	L	88.1	Confident	92.9	Very high	89 Å²	89	39 Å²	39	47%	0.466	21%	0.211	S	C	.	.	H	α-helix	trans	-71.1	-42.5	179.7	-176.5	65.6	0	0	0	110.4	D443 L448 N449 L481	D443-L445 PolarHBondContact O-N 3.43Å; D443-L445 PolarHBondContact OD1-N 3.46Å; D443-L445 VanDerWaalsContact OD1-N 3.12Å; L445-L448 WeakPolarHBondContact O-CB 3.48Å; L445-L448 PolarHBondContact O-N 2.93Å; L445-N449 PolarHBondContact O-N 3.22Å; L445-N449 PolarHBondContact O-ND2 3.11Å; L445-L481 HydrophobicContact CB-CD1 4.3Å; L445-L481 HydrophobicContact CD1-CD1 4.15Å
446	W	91	Very high	92.7	Very high	40 Å²	40	40.5 Å²	40.5	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-41	172.7	-84.5	123.4	0	0	0	112.6	I408 W409 Y412 A438 D443 L448 N449 I450	I408-W446 HydrophobicContact CG2-CB 3.83Å; I408-W446 HydrophobicContact CG2-CD2 3.56Å; I408-W446 HydrophobicContact CG2-CE3 3.9Å; I408-W446 HydrophobicContact CG2-CG 3.52Å; W409-W446 HydrophobicContact CB-CH2 4.08Å; W409-W446 HydrophobicContact CB-CZ2 3.84Å; W409-W446 AromaticContact CD1-CH2 3.63Å; W409-W446 AromaticContact CD1-CZ2 3.81Å; W409-W446 HydrophobicContact CG-CH2 4.24Å; W409-W446 HydrophobicContact CG-CZ2 4.25Å; Y412-W446 HydrophobicContact CD1-CH2 4.11Å; Y412-W446 AromaticContact CD1-CZ3 3.65Å; Y412-W446 HydrophobicContact CD1-CZ3 3.65Å; Y412-W446 HydrophobicContact CD2-CZ3 4.23Å; Y412-W446 HydrophobicContact CE1-CZ3 4.26Å; Y412-W446 HydrophobicContact CG-CE3 4.45Å; Y412-W446 HydrophobicContact CG-CH2 4.42Å; Y412-W446 AromaticContact CG-CZ3 3.61Å; Y412-W446 HydrophobicContact CG-CZ3 3.61Å; A438-W446 HydrophobicContact CB-CB 3.78Å; D443-W446 HydrophobicContact CB-CB 4.23Å; D443-W446 PolarHBondContact O-N 3.01Å; D443-W446 PolarHBondContact OD1-N 3.02Å; D443-W446 VanDerWaalsContact OD1-N 3.08Å; D443-W446 VanDerWaalsContact OD2-CD1 3.31Å; W446-L448 VanDerWaalsContact C-N 3.27Å; W446-L448 PolarHBondContact O-N 3.46Å; W446-N449 HydrophobicContact CE3-CB 4.28Å; W446-N449 HydrophobicContact CZ3-CB 4.49Å; W446-N449 PolarHBondContact O-N 2.92Å; W446-I450 HydrophobicContact CB-CD1 4.33Å; W446-I450 HydrophobicContact CE3-CD1 4.36Å; W446-I450 HydrophobicContact CE3-CG1 4.36Å; W446-I450 VanDerWaalsContact O-CB 3.31Å; W446-I450 WeakPolarHBondContact O-CB 3.49Å; W446-I450 WeakPolarHBondContact O-CD1 3.34Å; W446-I450 WeakPolarHBondContact O-CG1 3.32Å; W446-I450 PolarHBondContact O-N 2.89Å
447	Q	95.7	Very high	92.7	Very high	26 Å²	26	34.8 Å²	34.8	12%	0.121	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-43.4	173.1	-69.2	168.9	36.2	0	0	111.1	L435 A438 D443 N451 L477	L435-Q447 HydrophobicContact CD1-CB 4.18Å; L435-Q447 HydrophobicContact CD1-CG 4.15Å; A438-Q447 HydrophobicContact CB-CG 3.87Å; A438-Q447 PolarHBondContact O-NE2 3.41Å; A438-Q447 VanDerWaalsContact O-NE2 3.07Å; D443-Q447 VanDerWaalsContact O-CG 3.28Å; D443-Q447 WeakPolarHBondContact O-CG 3.42Å; D443-Q447 PolarHBondContact O-N 3.11Å; Q447-N451 WeakPolarHBondContact O-CB 3.35Å; Q447-N451 PolarHBondContact O-N 2.7Å; Q447-N451 PolarHBondContact O-ND2 3.09Å; Q447-L477 HydrophobicContact CB-CD1 3.67Å
448	L	91.1	Very high	92.7	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-56.9	176.3	172.8	129.1	0	0	0	111.2	K444 L445 W446 I450 N451 V452 A474 L477 A478 L481 A486	K444-L448 WeakPolarHBondContact O-CB 3.45Å; K444-L448 PolarHBondContact O-N 3.48Å; L445-L448 WeakPolarHBondContact O-CB 3.48Å; L445-L448 PolarHBondContact O-N 2.93Å; W446-L448 VanDerWaalsContact C-N 3.27Å; W446-L448 PolarHBondContact O-N 3.46Å; L448-I450 VanDerWaalsContact C-N 3.28Å; L448-I450 PolarHBondContact O-N 2.93Å; L448-N451 PolarHBondContact O-N 3.44Å; L448-V452 WeakPolarHBondContact O-CG2 3.42Å; L448-V452 PolarHBondContact O-N 2.88Å; L448-V452 VanDerWaalsContact O-N 3.1Å; L448-A474 VanDerWaalsContact CD1-O 3.26Å; L448-A474 WeakPolarHBondContact CD1-O 3.07Å; L448-L477 HydrophobicContact CB-CB 4.02Å; L448-L477 HydrophobicContact CB-CD1 4.34Å; L448-L477 HydrophobicContact CD1-CB 4.03Å; L448-A478 HydrophobicContact CD1-CB 3.51Å; L448-L481 HydrophobicContact CB-CD1 4.39Å; L448-L481 HydrophobicContact CD1-CD1 4.38Å; L448-A486 HydrophobicContact CD1-CB 4.47Å; L448-A486 HydrophobicContact CD2-CB 4.47Å
449	N	87.3	Confident	92.6	Very high	48 Å²	48	34.3 Å²	34.3	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-40.2	-177.1	-72.9	-30.7	0	0	0	112.1	Y412 L445 W446 V452 L453	Y412-N449 HydrophobicContact CD2-CB 4.45Å; Y412-N449 HydrophobicContact CE2-CB 3.92Å; Y412-N449 WeakPolarHBondContact CE2-O 3.33Å; L445-N449 PolarHBondContact O-N 3.22Å; L445-N449 PolarHBondContact O-ND2 3.11Å; W446-N449 HydrophobicContact CE3-CB 4.28Å; W446-N449 HydrophobicContact CZ3-CB 4.49Å; W446-N449 PolarHBondContact O-N 2.92Å; N449-V452 WeakPolarHBondContact O-CB 3.02Å; N449-V452 PolarHBondContact O-N 3.35Å; N449-L453 PolarHBondContact O-N 3.4Å; N449-L453 VanDerWaalsContact O-N 3.13Å
450	I	95	Very high	92.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-73.3	-36.7	-178.7	-64.9	165.7	0	0	0	111.4	I408 Y412 G431 L435 A438 W446 L448 V452 L453 I454	I408-I450 HydrophobicContact CG2-CD1 3.73Å; Y412-I450 HydrophobicContact CD2-CG1 4.1Å; G431-I450 WeakPolarHBondContact O-CG2 3.36Å; L435-I450 HydrophobicContact CB-CG2 3.71Å; L435-I450 HydrophobicContact CD1-CB 4.47Å; L435-I450 HydrophobicContact CD1-CG2 4.33Å; A438-I450 HydrophobicContact CB-CD1 4.07Å; W446-I450 HydrophobicContact CB-CD1 4.33Å; W446-I450 HydrophobicContact CE3-CD1 4.36Å; W446-I450 HydrophobicContact CE3-CG1 4.36Å; W446-I450 VanDerWaalsContact O-CB 3.31Å; W446-I450 WeakPolarHBondContact O-CB 3.49Å; W446-I450 WeakPolarHBondContact O-CD1 3.34Å; W446-I450 WeakPolarHBondContact O-CG1 3.32Å; W446-I450 PolarHBondContact O-N 2.89Å; L448-I450 VanDerWaalsContact C-N 3.28Å; L448-I450 PolarHBondContact O-N 2.93Å; I450-V452 VanDerWaalsContact C-N 3.27Å; I450-V452 PolarHBondContact O-N 3.48Å; I450-L453 WeakPolarHBondContact O-CB 3.41Å; I450-L453 PolarHBondContact O-N 2.87Å; I450-L453 VanDerWaalsContact O-N 3.14Å; I450-I454 HydrophobicContact CG2-CD1 3.96Å; I450-I454 HydrophobicContact CG2-CG1 4.36Å; I450-I454 WeakPolarHBondContact O-CG1 3.45Å; I450-I454 PolarHBondContact O-N 3.33Å
451	N	96.4	Very high	92.5	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-35.4	172.3	-86	-74.6	0	0	0	111.8	L435 Q447 L448 I454 G455 A474	L435-N451 WeakPolarHBondContact CD1-ND2 3.46Å; Q447-N451 WeakPolarHBondContact O-CB 3.35Å; Q447-N451 PolarHBondContact O-N 2.7Å; Q447-N451 PolarHBondContact O-ND2 3.09Å; L448-N451 PolarHBondContact O-N 3.44Å; N451-I454 PolarHBondContact O-N 2.9Å; N451-G455 PolarHBondContact O-N 3.43Å; N451-A474 HydrophobicContact CB-CB 3.93Å
452	V	92.6	Very high	92.5	Very high	25 Å²	25	37.1 Å²	37.1	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-45.6	171.2	178.9	0	0	0	0	111.2	L448 N449 I450 G455 Q456 F471 A474 M490	L448-V452 WeakPolarHBondContact O-CG2 3.42Å; L448-V452 PolarHBondContact O-N 2.88Å; L448-V452 VanDerWaalsContact O-N 3.1Å; N449-V452 WeakPolarHBondContact O-CB 3.02Å; N449-V452 PolarHBondContact O-N 3.35Å; I450-V452 VanDerWaalsContact C-N 3.27Å; I450-V452 PolarHBondContact O-N 3.48Å; V452-G455 PolarHBondContact O-N 3.18Å; V452-Q456 VanDerWaalsContact O-CG 3.31Å; V452-Q456 WeakPolarHBondContact O-CG 3.44Å; V452-Q456 PolarHBondContact O-N 3.25Å; V452-F471 HydrophobicContact CG1-CE1 4.42Å; V452-A474 HydrophobicContact CG2-CB 3.88Å; V452-M490 HydrophobicContact CG1-CE 4.19Å; V452-M490 HydrophobicContact CG2-CE 3.74Å; V452-M490 HydrophobicContact CG2-SD 3.58Å; V452-M490 VanDerWaalsContact CG2-SD 3.58Å
453	L	92.1	Very high	92.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-44	177.3	176.9	71.5	0	0	0	112	Y412 R416 L419 N449 I450 Q456 S457	Y412-L453 HydrophobicContact CD2-CB 4.31Å; Y412-L453 HydrophobicContact CD2-CD2 3.98Å; Y412-L453 HydrophobicContact CE2-CB 4.16Å; R416-L453 HydrophobicContact CB-CD1 4.5Å; R416-L453 HydrophobicContact CG-CD1 3.82Å; L419-L453 HydrophobicContact CD1-CD1 3.45Å; L419-L453 VanDerWaalsContact CD1-CD1 3.45Å; L419-L453 HydrophobicContact CG-CD1 4.12Å; N449-L453 PolarHBondContact O-N 3.4Å; N449-L453 VanDerWaalsContact O-N 3.13Å; I450-L453 WeakPolarHBondContact O-CB 3.41Å; I450-L453 PolarHBondContact O-N 2.87Å; I450-L453 VanDerWaalsContact O-N 3.14Å; L453-Q456 PolarHBondContact O-N 2.55Å; L453-S457 WeakPolarHBondContact O-CB 3.48Å; L453-S457 PolarHBondContact O-N 3.24Å; L453-S457 PolarHBondContact O-OG 3.03Å
454	I	97.1	Very high	92.4	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.056	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-45.3	176.6	-71.5	170.3	0	0	0	110.3	F428 L435 I450 N451 Q456 S457 N458 A470	F428-I454 HydrophobicContact CD2-CG2 4Å; F428-I454 HydrophobicContact CE2-CG2 3.79Å; L435-I454 HydrophobicContact CB-CD1 4.25Å; L435-I454 HydrophobicContact CD2-CD1 3.75Å; I450-I454 HydrophobicContact CG2-CD1 3.96Å; I450-I454 HydrophobicContact CG2-CG1 4.36Å; I450-I454 WeakPolarHBondContact O-CG1 3.45Å; I450-I454 PolarHBondContact O-N 3.33Å; N451-I454 PolarHBondContact O-N 2.9Å; I454-Q456 VanDerWaalsContact C-N 3.35Å; I454-Q456 PolarHBondContact O-N 3.18Å; I454-S457 WeakPolarHBondContact O-CB 3.32Å; I454-S457 PolarHBondContact O-N 2.9Å; I454-S457 VanDerWaalsContact O-N 3.16Å; I454-N458 WeakPolarHBondContact O-CB 3.4Å; I454-N458 PolarHBondContact O-N 2.85Å; I454-A470 HydrophobicContact CB-CB 4.39Å; I454-A470 HydrophobicContact CG2-CB 3.93Å
455	G	94	Very high	92.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-47.3	175.7	0	0	0	0	0	112.1	N451 V452 S457 N458 L459 A467	N451-G455 PolarHBondContact O-N 3.43Å; V452-G455 PolarHBondContact O-N 3.18Å; G455-S457 PolarHBondContact O-N 3.19Å; G455-N458 PolarHBondContact O-N 3.4Å; G455-L459 WeakPolarHBondContact O-CG 3.47Å; G455-L459 PolarHBondContact O-N 3.33Å; G455-A467 WeakPolarHBondContact O-CB 3.28Å
456	Q	91.3	Very high	92.6	Very high	63 Å²	63	41 Å²	41	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-62.5	-40.6	175.6	-71.2	172.2	-12.7	0	0	112.7	L419 V452 L453 I454 L459 Q460 F471	L419-Q456 HydrophobicContact CD1-CB 3.78Å; V452-Q456 VanDerWaalsContact O-CG 3.31Å; V452-Q456 WeakPolarHBondContact O-CG 3.44Å; V452-Q456 PolarHBondContact O-N 3.25Å; L453-Q456 PolarHBondContact O-N 2.55Å; I454-Q456 VanDerWaalsContact C-N 3.35Å; I454-Q456 PolarHBondContact O-N 3.18Å; Q456-L459 PolarHBondContact O-N 3.24Å; Q456-Q460 PolarHBondContact O-N 3.1Å; Q456-Q460 VanDerWaalsContact O-N 3.13Å; Q456-F471 HydrophobicContact CG-CE1 4.42Å; Q456-F471 HydrophobicContact CG-CZ 4.18Å
457	S	95.2	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.3	-52.9	0	0	0	0	111.4	S427 L453 I454 G455 L459 Q460 L461	S427-S457 WeakPolarHBondContact CB-OG 2.93Å; S427-S457 PolarHBondContact OG-OG 3.39Å; L453-S457 WeakPolarHBondContact O-CB 3.48Å; L453-S457 PolarHBondContact O-N 3.24Å; L453-S457 PolarHBondContact O-OG 3.03Å; I454-S457 WeakPolarHBondContact O-CB 3.32Å; I454-S457 PolarHBondContact O-N 2.9Å; I454-S457 VanDerWaalsContact O-N 3.16Å; G455-S457 PolarHBondContact O-N 3.19Å; S457-L459 PolarHBondContact O-N 3.22Å; S457-Q460 PolarHBondContact O-N 2.77Å; S457-L461 WeakPolarHBondContact O-CG 3.37Å; S457-L461 PolarHBondContact O-N 2.95Å
458	N	95.2	Very high	92.5	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-35.1	178.2	-79.4	-28.1	0	0	0	112.6	I454 G455 L461 K462 K463 D466 A467	I454-N458 WeakPolarHBondContact O-CB 3.4Å; I454-N458 PolarHBondContact O-N 2.85Å; G455-N458 PolarHBondContact O-N 3.4Å; N458-L461 CarbonylContact O-C 3.56Å; N458-L461 PolarHBondContact O-N 2.92Å; N458-K462 PolarHBondContact O-N 3.1Å; N458-K463 HydrophobicContact CB-CB 4.18Å; N458-K463 PolarHBondContact O-N 2.92Å; N458-D466 HydrophobicContact CB-CB 4.27Å; N458-D466 WeakPolarHBondContact ND2-CB 3.47Å; N458-D466 PolarHBondContact ND2-O 3.33Å; N458-A467 HydrophobicContact CB-CB 3.77Å
459	L	91.1	Very high	92.7	Very high	25 Å²	25	43 Å²	43	13%	0.131	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-45.3	170.8	-70.5	-178.7	0	0	0	112	G455 Q456 S457 L461 K462 A467 F471 L497	G455-L459 WeakPolarHBondContact O-CG 3.47Å; G455-L459 PolarHBondContact O-N 3.33Å; Q456-L459 PolarHBondContact O-N 3.24Å; S457-L459 PolarHBondContact O-N 3.22Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.29Å; L459-K462 PolarHBondContact O-N 3.38Å; L459-A467 HydrophobicContact CD2-CB 3.48Å; L459-A467 VanDerWaalsContact CD2-CB 3.48Å; L459-A467 HydrophobicContact CG-CB 3.69Å; L459-F471 HydrophobicContact CD1-CE2 3.62Å; L459-F471 HydrophobicContact CD1-CZ 3.92Å; L459-F471 HydrophobicContact CG-CE2 3.95Å; L459-F471 HydrophobicContact CG-CZ 4.49Å; L459-L497 HydrophobicContact CD1-CD2 4.41Å; L459-L497 HydrophobicContact CD2-CD1 4.23Å; L459-L497 HydrophobicContact CD2-CD2 3.46Å; L459-L497 VanDerWaalsContact CD2-CD2 3.46Å; L459-L497 HydrophobicContact CD2-CG 4.49Å
460	Q	90.8	Very high	93.1	Very high	28 Å²	28	41 Å²	41	13%	0.131	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-34.1	175	-74.7	-163.1	8.9	0	0	112.9	F152 L419 P424 Q456 S457 K462	F152-Q460 HydrophobicContact CD1-CG 4.44Å; F152-Q460 HydrophobicContact CE1-CB 4.47Å; F152-Q460 HydrophobicContact CE1-CG 3.39Å; F152-Q460 HydrophobicContact CE2-CG 4.31Å; F152-Q460 HydrophobicContact CZ-CG 3.32Å; F152-Q460 VanDerWaalsContact CZ-NE2 3.27Å; L419-Q460 PolarHBondContact O-NE2 3.04Å; P424-Q460 HydrophobicContact CB-CB 3.5Å; P424-Q460 HydrophobicContact CB-CG 4.42Å; P424-Q460 HydrophobicContact CG-CB 3.79Å; Q456-Q460 PolarHBondContact O-N 3.1Å; Q456-Q460 VanDerWaalsContact O-N 3.13Å; S457-Q460 PolarHBondContact O-N 2.77Å; Q460-K462 PolarHBondContact O-N 3.08Å
461	L	94.1	Very high	93	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.188	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.2	174.6	-66.9	171.6	0	0	0	113.8	P424 N425 F428 S457 N458 L459 K463	P424-L461 HydrophobicContact CB-CD2 4.07Å; P424-L461 HydrophobicContact CB-CG 3.93Å; P424-L461 HydrophobicContact CG-CD2 3.64Å; P424-L461 HydrophobicContact CG-CG 4.01Å; N425-L461 WeakPolarHBondContact OD1-CD2 3.39Å; F428-L461 HydrophobicContact CB-CD1 4.43Å; S457-L461 WeakPolarHBondContact O-CG 3.37Å; S457-L461 PolarHBondContact O-N 2.95Å; N458-L461 CarbonylContact O-C 3.56Å; N458-L461 PolarHBondContact O-N 2.92Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.29Å; L461-K463 HydrophobicContact CB-CD 4.24Å; L461-K463 HydrophobicContact CB-CG 4.05Å; L461-K463 HydrophobicContact CD1-CD 4.47Å; L461-K463 PolarHBondContact O-N 3.07Å
462	K	90.3	Very high	92.9	Very high	179 Å²	179	42.8 Å²	42.8	78%	0.778	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	22.9	-173.8	-52.3	-179.1	178.4	-176.6	0	113.6	N458 L459 Q460 R464	N458-K462 PolarHBondContact O-N 3.1Å; L459-K462 PolarHBondContact O-N 3.38Å; Q460-K462 PolarHBondContact O-N 3.08Å; K462-R464 PolarHBondContact O-N 3Å
463	K	91.7	Very high	93.1	Very high	87 Å²	87	44.3 Å²	44.3	38%	0.378	22%	0.221	S	C	.	.			trans	-90.3	74.1	174.3	-65.4	-178.1	-178.1	-179.5	0	109.5	N458 L461 L465 D466 A467	N458-K463 HydrophobicContact CB-CB 4.18Å; N458-K463 PolarHBondContact O-N 2.92Å; L461-K463 HydrophobicContact CB-CD 4.24Å; L461-K463 HydrophobicContact CB-CG 4.05Å; L461-K463 HydrophobicContact CD1-CD 4.47Å; L461-K463 PolarHBondContact O-N 3.07Å; K463-L465 PolarHBondContact O-N 3.26Å; K463-D466 HydrophobicContact CB-CB 4.09Å; K463-D466 PolarHBondContact O-N 3.26Å; K463-A467 PolarHBondContact O-N 3.28Å
464	R	88.4	Confident	93.1	Very high	68 Å²	68	44.2 Å²	44.2	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-65.3	-41.6	-166.1	-163.9	169.7	175	80.6	39.6	114	K462 A467 Q468 L497 T500 D501	K462-R464 PolarHBondContact O-N 3Å; R464-A467 WeakPolarHBondContact O-CB 3.36Å; R464-A467 PolarHBondContact O-N 2.97Å; R464-Q468 PolarHBondContact O-N 3Å; R464-L497 VanDerWaalsContact NH2-C 3.27Å; R464-L497 VanDerWaalsContact NH2-CD2 3.26Å; R464-L497 PolarHBondContact NH2-O 3.48Å; R464-T500 PolarHBondContact NH1-OG1 2.94Å; R464-T500 PolarHBondContact NH2-OG1 3.14Å; R464-D501 VanDerWaalsContact CD-OD1 3.29Å; R464-D501 WeakPolarHBondContact CD-OD1 3.42Å; R464-D501 IonicContact CZ-OD1 3.62Å; R464-D501 IonicContact NE-OD1 2.65Å; R464-D501 PolarHBondContact NE-OD1 2.85Å; R464-D501 IonicContact NE-OD2 3.72Å; R464-D501 IonicContact NH2-OD1 3.87Å
465	L	91	Very high	92.9	Very high	122 Å²	122	46.4 Å²	46.4	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-63.2	-45.5	175.7	-173.1	67	0	0	0	111.4	K463 A467 Q468 T469	K463-L465 PolarHBondContact O-N 3.26Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 3.26Å; L465-Q468 WeakPolarHBondContact O-CB 3.49Å; L465-Q468 PolarHBondContact O-N 3.11Å; L465-Q468 VanDerWaalsContact O-N 3.15Å; L465-T469 WeakPolarHBondContact O-CG2 3.27Å; L465-T469 PolarHBondContact O-N 3.24Å; L465-T469 PolarHBondContact O-OG1 3.44Å
466	D	93.7	Very high	93	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-27.6	177.9	-57.8	-31	0	0	0	112.4	N458 K463 T469 A470	N458-D466 HydrophobicContact CB-CB 4.27Å; N458-D466 WeakPolarHBondContact ND2-CB 3.47Å; N458-D466 PolarHBondContact ND2-O 3.33Å; K463-D466 HydrophobicContact CB-CB 4.09Å; K463-D466 PolarHBondContact O-N 3.26Å; D466-T469 WeakPolarHBondContact CA-OG1 3.44Å; D466-T469 PolarHBondContact O-OG1 2.86Å; D466-A470 WeakPolarHBondContact O-CB 3.25Å; D466-A470 PolarHBondContact O-N 3.42Å
467	A	92.7	Very high	93.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-45.5	171.2	0	0	0	0	0	111.1	G455 N458 L459 K463 R464 L465 T469 A470 F471	G455-A467 WeakPolarHBondContact O-CB 3.28Å; N458-A467 HydrophobicContact CB-CB 3.77Å; L459-A467 HydrophobicContact CD2-CB 3.48Å; L459-A467 VanDerWaalsContact CD2-CB 3.48Å; L459-A467 HydrophobicContact CG-CB 3.69Å; K463-A467 PolarHBondContact O-N 3.28Å; R464-A467 WeakPolarHBondContact O-CB 3.36Å; R464-A467 PolarHBondContact O-N 2.97Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 3.26Å; A467-T469 VanDerWaalsContact C-N 3.35Å; A467-T469 PolarHBondContact O-N 3.28Å; A467-A470 PolarHBondContact O-N 3.42Å; A467-F471 HydrophobicContact CB-CD2 4.42Å; A467-F471 HydrophobicContact CB-CE2 4.16Å; A467-F471 WeakPolarHBondContact O-CD2 3.37Å; A467-F471 PolarHBondContact O-N 2.98Å
468	Q	91.6	Very high	92.8	Very high	42 Å²	42	50.1 Å²	50.1	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-41.9	179	-171.7	-179.2	35.7	0	0	111.9	R464 L465 F471 T472	R464-Q468 PolarHBondContact O-N 3Å; L465-Q468 WeakPolarHBondContact O-CB 3.49Å; L465-Q468 PolarHBondContact O-N 3.11Å; L465-Q468 VanDerWaalsContact O-N 3.15Å; Q468-F471 PolarHBondContact O-N 3.12Å; Q468-T472 WeakPolarHBondContact O-CB 3.31Å; Q468-T472 PolarHBondContact O-N 3.41Å; Q468-T472 PolarHBondContact O-OG1 2.87Å
469	T	95.5	Very high	92.7	Very high	75 Å²	75	56.1 Å²	56.1	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-48.1	175.7	53.7	0	0	0	0	111.1	L465 D466 A467 F471 T472 T473	L465-T469 WeakPolarHBondContact O-CG2 3.27Å; L465-T469 PolarHBondContact O-N 3.24Å; L465-T469 PolarHBondContact O-OG1 3.44Å; D466-T469 WeakPolarHBondContact CA-OG1 3.44Å; D466-T469 PolarHBondContact O-OG1 2.86Å; A467-T469 VanDerWaalsContact C-N 3.35Å; A467-T469 PolarHBondContact O-N 3.28Å; T469-F471 PolarHBondContact O-N 3.48Å; T469-T472 PolarHBondContact O-N 3.5Å; T469-T473 PolarHBondContact O-N 3.43Å; T469-T473 PolarHBondContact O-OG1 3.49Å
470	A	94.8	Very high	92.8	Very high	5 Å²	5	60.4 Å²	60.4	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-44.4	178.2	0	0	0	0	0	112.7	I454 D466 A467 T472 T473 A474	I454-A470 HydrophobicContact CB-CB 4.39Å; I454-A470 HydrophobicContact CG2-CB 3.93Å; D466-A470 WeakPolarHBondContact O-CB 3.25Å; D466-A470 PolarHBondContact O-N 3.42Å; A467-A470 PolarHBondContact O-N 3.42Å; A470-T472 VanDerWaalsContact C-N 3.34Å; A470-T472 PolarHBondContact O-N 2.88Å; A470-T473 PolarHBondContact O-N 3.37Å; A470-A474 PolarHBondContact O-N 2.94Å
471	F	93	Very high	92.7	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-34.1	176	-68.7	-55.9	0	0	0	113	V452 Q456 L459 A467 Q468 T469 A474 Y475 M490 V493 I494 L497	V452-F471 HydrophobicContact CG1-CE1 4.42Å; Q456-F471 HydrophobicContact CG-CE1 4.42Å; Q456-F471 HydrophobicContact CG-CZ 4.18Å; L459-F471 HydrophobicContact CD1-CE2 3.62Å; L459-F471 HydrophobicContact CD1-CZ 3.92Å; L459-F471 HydrophobicContact CG-CE2 3.95Å; L459-F471 HydrophobicContact CG-CZ 4.49Å; A467-F471 HydrophobicContact CB-CD2 4.42Å; A467-F471 HydrophobicContact CB-CE2 4.16Å; A467-F471 WeakPolarHBondContact O-CD2 3.37Å; A467-F471 PolarHBondContact O-N 2.98Å; Q468-F471 PolarHBondContact O-N 3.12Å; T469-F471 PolarHBondContact O-N 3.48Å; F471-A474 PolarHBondContact O-N 3.22Å; F471-Y475 WeakPolarHBondContact O-CB 3.26Å; F471-Y475 PolarHBondContact O-N 2.93Å; F471-M490 HydrophobicContact CD1-SD 3.82Å; F471-V493 HydrophobicContact CD1-CG1 4.08Å; F471-V493 HydrophobicContact CD2-CG1 3.63Å; F471-V493 HydrophobicContact CE1-CG1 4.09Å; F471-V493 HydrophobicContact CE2-CG1 3.65Å; F471-V493 HydrophobicContact CG-CG1 3.87Å; F471-V493 HydrophobicContact CZ-CG1 3.87Å; F471-I494 HydrophobicContact CB-CD1 4.47Å; F471-I494 HydrophobicContact CB-CG1 3.98Å; F471-L497 HydrophobicContact CD2-CD1 3.66Å; F471-L497 HydrophobicContact CE2-CD1 4.01Å
472	T	95.1	Very high	92.5	Very high	48 Å²	48	68.4 Å²	68.4	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-43.8	175.3	-55.1	0	0	0	0	110.8	Q468 T469 A470 A474 Y475 E476	Q468-T472 WeakPolarHBondContact O-CB 3.31Å; Q468-T472 PolarHBondContact O-N 3.41Å; Q468-T472 PolarHBondContact O-OG1 2.87Å; T469-T472 PolarHBondContact O-N 3.5Å; A470-T472 VanDerWaalsContact C-N 3.34Å; A470-T472 PolarHBondContact O-N 2.88Å; T472-A474 VanDerWaalsContact C-N 3.35Å; T472-A474 PolarHBondContact O-N 3.01Å; T472-Y475 WeakPolarHBondContact O-CB 3.49Å; T472-Y475 PolarHBondContact O-N 3.05Å; T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 3.47Å
473	T	95.7	Very high	92.1	Very high	58 Å²	58	61.4 Å²	61.4	36%	0.356	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-42.5	173.2	-56.8	0	0	0	0	111.6	T469 A470 Y475 E476 L477	T469-T473 PolarHBondContact O-N 3.43Å; T469-T473 PolarHBondContact O-OG1 3.49Å; A470-T473 PolarHBondContact O-N 3.37Å; T473-Y475 VanDerWaalsContact C-N 3.33Å; T473-Y475 PolarHBondContact O-N 3.09Å; T473-E476 PolarHBondContact O-N 3.35Å; T473-L477 HydrophobicContact CG2-CD1 4.17Å; T473-L477 WeakPolarHBondContact O-CG 3.13Å; T473-L477 PolarHBondContact O-N 2.74Å
474	A	93.1	Very high	91.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-39.8	174.1	0	0	0	0	0	112.1	L448 N451 V452 A470 F471 T472 L477 A478 M490	L448-A474 VanDerWaalsContact CD1-O 3.26Å; L448-A474 WeakPolarHBondContact CD1-O 3.07Å; N451-A474 HydrophobicContact CB-CB 3.93Å; V452-A474 HydrophobicContact CG2-CB 3.88Å; A470-A474 PolarHBondContact O-N 2.94Å; F471-A474 PolarHBondContact O-N 3.22Å; T472-A474 VanDerWaalsContact C-N 3.35Å; T472-A474 PolarHBondContact O-N 3.01Å; A474-L477 PolarHBondContact O-N 2.92Å; A474-A478 WeakPolarHBondContact O-CB 3.41Å; A474-A478 PolarHBondContact O-N 3.15Å; A474-M490 HydrophobicContact CB-CG 4.1Å; A474-M490 HydrophobicContact CB-SD 3.84Å
475	Y	92.7	Very high	90.9	Very high	57 Å²	57	65 Å²	65	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.7	169.9	-102.2	0	0	0	112.5	F471 T472 T473 L477 A478 K479 E487 M490 L491 I494	F471-Y475 WeakPolarHBondContact O-CB 3.26Å; F471-Y475 PolarHBondContact O-N 2.93Å; T472-Y475 WeakPolarHBondContact O-CB 3.49Å; T472-Y475 PolarHBondContact O-N 3.05Å; T473-Y475 VanDerWaalsContact C-N 3.33Å; T473-Y475 PolarHBondContact O-N 3.09Å; Y475-L477 VanDerWaalsContact C-N 3.35Å; Y475-L477 PolarHBondContact O-N 3.28Å; Y475-A478 WeakPolarHBondContact O-CB 3.4Å; Y475-A478 PolarHBondContact O-N 2.73Å; Y475-K479 PolarHBondContact O-N 3.04Å; Y475-E487 HydrophobicContact CD2-CG 4.06Å; Y475-E487 HydrophobicContact CE2-CG 3.59Å; Y475-M490 HydrophobicContact CD2-CB 4.32Å; Y475-L491 HydrophobicContact CD2-CB 4.46Å; Y475-L491 HydrophobicContact CE2-CB 4.29Å; Y475-L491 HydrophobicContact CE2-CD1 4.06Å; Y475-I494 HydrophobicContact CG-CD1 4.28Å
476	E	95.4	Very high	90.2	Very high	124 Å²	124	60 Å²	60	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-61.5	-43.2	177.2	-71.6	-180	173.6	0	0	111.8	T472 T473 A478 K479 E480	T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 3.47Å; T473-E476 PolarHBondContact O-N 3.35Å; E476-A478 VanDerWaalsContact C-N 3.35Å; E476-K479 PolarHBondContact O-N 3.24Å; E476-E480 PolarHBondContact O-N 2.98Å
477	L	93.4	Very high	89.7	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-38.2	174.4	-71.2	167.6	0	0	0	111.9	K444 Q447 L448 T473 A474 Y475 K479 E480 L481	K444-L477 HydrophobicContact CB-CD2 4.16Å; K444-L477 HydrophobicContact CG-CD2 4.08Å; Q447-L477 HydrophobicContact CB-CD1 3.67Å; L448-L477 HydrophobicContact CB-CB 4.02Å; L448-L477 HydrophobicContact CB-CD1 4.34Å; L448-L477 HydrophobicContact CD1-CB 4.03Å; T473-L477 HydrophobicContact CG2-CD1 4.17Å; T473-L477 WeakPolarHBondContact O-CG 3.13Å; T473-L477 PolarHBondContact O-N 2.74Å; A474-L477 PolarHBondContact O-N 2.92Å; Y475-L477 VanDerWaalsContact C-N 3.35Å; Y475-L477 PolarHBondContact O-N 3.28Å; L477-K479 VanDerWaalsContact C-N 3.32Å; L477-K479 PolarHBondContact O-N 3.25Å; L477-E480 PolarHBondContact O-N 3.17Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 VanDerWaalsContact O-CG 3.31Å; L477-L481 WeakPolarHBondContact O-CG 3.5Å; L477-L481 PolarHBondContact O-N 3.43Å
478	A	90	Very high	89.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-43.4	177.9	0	0	0	0	0	111.1	L448 A474 Y475 E476 L481 K482 A483 A486 E487	L448-A478 HydrophobicContact CD1-CB 3.51Å; A474-A478 WeakPolarHBondContact O-CB 3.41Å; A474-A478 PolarHBondContact O-N 3.15Å; Y475-A478 WeakPolarHBondContact O-CB 3.4Å; Y475-A478 PolarHBondContact O-N 2.73Å; E476-A478 VanDerWaalsContact C-N 3.35Å; A478-L481 CarbonylContact O-C 3.56Å; A478-L481 PolarHBondContact O-N 3.45Å; A478-K482 PolarHBondContact O-N 3.1Å; A478-A483 PolarHBondContact O-N 2.73Å; A478-A486 HydrophobicContact CB-CB 4.03Å; A478-E487 HydrophobicContact CB-CB 4.12Å
479	K	92.5	Very high	88.6	Confident	131 Å²	131	64 Å²	64	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-64	-42.3	176.5	-173.6	176.5	-178.3	176.2	0	111.6	Y475 E476 L477 K482	Y475-K479 PolarHBondContact O-N 3.04Å; E476-K479 PolarHBondContact O-N 3.24Å; L477-K479 VanDerWaalsContact C-N 3.32Å; L477-K479 PolarHBondContact O-N 3.25Å; K479-K482 PolarHBondContact O-N 3.05Å
480	E	94.1	Very high	88.2	Confident	115 Å²	115	61 Å²	61	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-40.2	176.5	-173.1	170.8	-159.4	0	0	112.4	K444 E476 L477 K482	K444-E480 VanDerWaalsContact CD-OE2 3.29Å; K444-E480 WeakPolarHBondContact CD-OE2 3.27Å; K444-E480 WeakPolarHBondContact CE-OE2 3.47Å; K444-E480 IonicContact NZ-OE1 2.55Å; K444-E480 PolarHBondContact NZ-OE1 3.12Å; K444-E480 IonicContact NZ-OE2 3.86Å; K444-E480 PolarHBondContact NZ-OE2 3.32Å; E476-E480 PolarHBondContact O-N 2.98Å; L477-E480 PolarHBondContact O-N 3.17Å; E480-K482 PolarHBondContact O-N 2.78Å
481	L	88.1	Confident	87.9	Confident	67 Å²	67	64.1 Å²	64.1	35%	0.351	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.8	177.1	-69.4	170.4	0	0	0	113.8	K444 L445 L448 L477 A478 A483	K444-L481 HydrophobicContact CB-CD1 4.24Å; K444-L481 HydrophobicContact CB-CD2 3.98Å; K444-L481 HydrophobicContact CB-CG 4.26Å; L445-L481 HydrophobicContact CB-CD1 4.3Å; L445-L481 HydrophobicContact CD1-CD1 4.15Å; L448-L481 HydrophobicContact CB-CD1 4.39Å; L448-L481 HydrophobicContact CD1-CD1 4.38Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 VanDerWaalsContact O-CG 3.31Å; L477-L481 WeakPolarHBondContact O-CG 3.5Å; L477-L481 PolarHBondContact O-N 3.43Å; A478-L481 CarbonylContact O-C 3.56Å; A478-L481 PolarHBondContact O-N 3.45Å; L481-A483 HydrophobicContact CB-CB 4.35Å; L481-A483 PolarHBondContact O-N 3.03Å
482	K	89.5	Confident	87.5	Confident	165 Å²	165	66.7 Å²	66.7	72%	0.717	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.7	-171.7	-55.3	179.5	179.7	179.1	0	113	A478 K479 E480 H484	A478-K482 PolarHBondContact O-N 3.1Å; K479-K482 PolarHBondContact O-N 3.05Å; E480-K482 PolarHBondContact O-N 2.78Å; K482-H484 PolarHBondContact O-N 3.35Å; K482-H484 VanDerWaalsContact O-N 3.16Å
483	A	81.7	Confident	87	Confident	33 Å²	33	64.9 Å²	64.9	27%	0.273	32%	0.318	S	S	.	.			trans	-86.3	78.6	178.4	0	0	0	0	0	109.9	A478 L481 D485 A486 E487	A478-A483 PolarHBondContact O-N 2.73Å; L481-A483 HydrophobicContact CB-CB 4.35Å; L481-A483 PolarHBondContact O-N 3.03Å; A483-D485 VanDerWaalsContact C-N 3.27Å; A483-D485 PolarHBondContact O-N 2.89Å; A483-A486 HydrophobicContact CB-CB 4.01Å; A483-A486 PolarHBondContact O-N 3Å; A483-E487 PolarHBondContact O-N 3.13Å
484	H	82.5	Confident	86.6	Confident	131 Å²	131	63 Å²	63	61%	0.606	31%	0.305	S	S	*	.	H	α-helix	trans	-56.7	-35.6	-172.5	-65.4	-53.4	0	0	0	114.4	K482 E487 K488	K482-H484 PolarHBondContact O-N 3.35Å; K482-H484 VanDerWaalsContact O-N 3.16Å; H484-E487 IonicContact ND1-OE2 2.71Å; H484-E487 PolarHBondContact ND1-OE2 3.14Å; H484-E487 PolarHBondContact O-N 3.42Å; H484-K488 WeakPolarHBondContact O-CB 3.42Å; H484-K488 PolarHBondContact O-N 3.22Å
485	D	73.3	Confident	86.2	Confident	100 Å²	100	67 Å²	67	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-42	176.5	-74.1	-24.1	0	0	0	111.9	I144 A483 A489	I144-D485 HydrophobicContact CD1-CB 4.18Å; A483-D485 VanDerWaalsContact C-N 3.27Å; A483-D485 PolarHBondContact O-N 2.89Å; D485-A489 VanDerWaalsContact O-CB 3.31Å; D485-A489 WeakPolarHBondContact O-CB 3.12Å; D485-A489 PolarHBondContact O-N 3.32Å
486	A	75.5	Confident	85.8	Confident	17 Å²	17	66.8 Å²	66.8	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-42.2	176	0	0	0	0	0	111	L448 A478 A483 K488 A489 M490	L448-A486 HydrophobicContact CD1-CB 4.47Å; L448-A486 HydrophobicContact CD2-CB 4.47Å; A478-A486 HydrophobicContact CB-CB 4.03Å; A483-A486 HydrophobicContact CB-CB 4.01Å; A483-A486 PolarHBondContact O-N 3Å; A486-K488 PolarHBondContact O-N 3.08Å; A486-A489 PolarHBondContact O-N 2.82Å; A486-M490 VanDerWaalsContact O-CG 3.28Å; A486-M490 WeakPolarHBondContact O-CG 3.36Å; A486-M490 PolarHBondContact O-N 2.86Å
487	E	83.9	Confident	85.3	Confident	47 Å²	47	61 Å²	61	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-55.2	-51.8	175.6	-178.1	-174.6	179.8	0	0	110.7	Y475 A478 A483 H484 A489 M490 L491	Y475-E487 HydrophobicContact CD2-CG 4.06Å; Y475-E487 HydrophobicContact CE2-CG 3.59Å; A478-E487 HydrophobicContact CB-CB 4.12Å; A483-E487 PolarHBondContact O-N 3.13Å; H484-E487 IonicContact ND1-OE2 2.71Å; H484-E487 PolarHBondContact ND1-OE2 3.14Å; H484-E487 PolarHBondContact O-N 3.42Å; E487-A489 PolarHBondContact O-N 2.89Å; E487-M490 PolarHBondContact O-N 3.45Å; E487-L491 WeakPolarHBondContact O-CB 3.23Å; E487-L491 PolarHBondContact O-N 2.78Å
488	K	82.7	Confident	84.7	Confident	132 Å²	132	63.5 Å²	63.5	57%	0.574	31%	0.312	S	S	*	.	H	α-helix	trans	-61.2	-45.3	177.2	-176.5	179.3	179.3	176.8	0	111.9	H484 A486 M490 L491 E492	H484-K488 WeakPolarHBondContact O-CB 3.42Å; H484-K488 PolarHBondContact O-N 3.22Å; A486-K488 PolarHBondContact O-N 3.08Å; K488-M490 VanDerWaalsContact C-N 3.34Å; K488-M490 PolarHBondContact O-N 3.3Å; K488-L491 PolarHBondContact O-N 3.37Å; K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact O-CG 3.31Å; K488-E492 PolarHBondContact O-N 2.88Å
489	A	79.1	Confident	84.3	Confident	19 Å²	19	65.8 Å²	65.8	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-43	179.1	0	0	0	0	0	111.7	I144 D485 A486 E487 E492 V493	I144-A489 HydrophobicContact CD1-CB 4.36Å; I144-A489 HydrophobicContact CG2-CB 4.32Å; D485-A489 VanDerWaalsContact O-CB 3.31Å; D485-A489 WeakPolarHBondContact O-CB 3.12Å; D485-A489 PolarHBondContact O-N 3.32Å; A486-A489 PolarHBondContact O-N 2.82Å; E487-A489 PolarHBondContact O-N 2.89Å; A489-E492 PolarHBondContact O-N 3.24Å; A489-V493 WeakPolarHBondContact O-CG2 3.19Å; A489-V493 PolarHBondContact O-N 3.28Å
490	M	86.9	Confident	83.5	Confident	13 Å²	13	60.4 Å²	60.4	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-68.7	-39.6	178.8	-65.9	-54	101.1	0	0	111.9	V452 F471 A474 Y475 A486 E487 K488 E492 V493 I494	V452-M490 HydrophobicContact CG1-CE 4.19Å; V452-M490 HydrophobicContact CG2-CE 3.74Å; V452-M490 HydrophobicContact CG2-SD 3.58Å; V452-M490 VanDerWaalsContact CG2-SD 3.58Å; F471-M490 HydrophobicContact CD1-SD 3.82Å; A474-M490 HydrophobicContact CB-CG 4.1Å; A474-M490 HydrophobicContact CB-SD 3.84Å; Y475-M490 HydrophobicContact CD2-CB 4.32Å; A486-M490 VanDerWaalsContact O-CG 3.28Å; A486-M490 WeakPolarHBondContact O-CG 3.36Å; A486-M490 PolarHBondContact O-N 2.86Å; E487-M490 PolarHBondContact O-N 3.45Å; K488-M490 VanDerWaalsContact C-N 3.34Å; K488-M490 PolarHBondContact O-N 3.3Å; M490-E492 PolarHBondContact O-N 3.49Å; M490-V493 PolarHBondContact O-N 3.49Å; M490-I494 VanDerWaalsContact O-CG1 3.26Å; M490-I494 WeakPolarHBondContact O-CG1 3.32Å; M490-I494 PolarHBondContact O-N 2.63Å
491	L	86.9	Confident	82.6	Confident	69 Å²	69	57 Å²	57	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.9	-161	157.4	0	0	0	111.1	Y475 E487 K488 V493 I494 D495	Y475-L491 HydrophobicContact CD2-CB 4.46Å; Y475-L491 HydrophobicContact CE2-CB 4.29Å; Y475-L491 HydrophobicContact CE2-CD1 4.06Å; E487-L491 WeakPolarHBondContact O-CB 3.23Å; E487-L491 PolarHBondContact O-N 2.78Å; K488-L491 PolarHBondContact O-N 3.37Å; L491-V493 VanDerWaalsContact C-N 3.3Å; L491-V493 PolarHBondContact O-N 3.49Å; L491-I494 PolarHBondContact O-N 3.24Å; L491-D495 WeakPolarHBondContact CD2-OD2 3.33Å; L491-D495 WeakPolarHBondContact O-CB 3.31Å; L491-D495 PolarHBondContact O-N 3.38Å
492	E	84.8	Confident	81.8	Confident	59 Å²	59	62 Å²	62	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-41.4	173.9	-72.9	179.4	-179.1	0	0	112.1	K150 K488 A489 M490 E496	K150-E492 WeakPolarHBondContact CE-OE2 3.33Å; K150-E492 VanDerWaalsContact NZ-CD 3.27Å; K150-E492 IonicContact NZ-OE1 2.64Å; K150-E492 IonicContact NZ-OE2 3.81Å; K150-E492 PolarHBondContact NZ-OE2 3.48Å; K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact O-CG 3.31Å; K488-E492 PolarHBondContact O-N 2.88Å; A489-E492 PolarHBondContact O-N 3.24Å; M490-E492 PolarHBondContact O-N 3.49Å; E492-E496 WeakPolarHBondContact O-CB 3.04Å; E492-E496 WeakPolarHBondContact O-CG 3.45Å; E492-E496 PolarHBondContact O-N 2.91Å; E492-E496 VanDerWaalsContact O-N 3.07Å
493	V	85.4	Confident	80.9	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-43.4	177.9	177.1	0	0	0	0	111.7	A149 F471 A489 M490 L491 E496 L497	A149-V493 HydrophobicContact CB-CG2 3.53Å; F471-V493 HydrophobicContact CD1-CG1 4.08Å; F471-V493 HydrophobicContact CD2-CG1 3.63Å; F471-V493 HydrophobicContact CE1-CG1 4.09Å; F471-V493 HydrophobicContact CE2-CG1 3.65Å; F471-V493 HydrophobicContact CG-CG1 3.87Å; F471-V493 HydrophobicContact CZ-CG1 3.87Å; A489-V493 WeakPolarHBondContact O-CG2 3.19Å; A489-V493 PolarHBondContact O-N 3.28Å; M490-V493 PolarHBondContact O-N 3.49Å; L491-V493 VanDerWaalsContact C-N 3.3Å; L491-V493 PolarHBondContact O-N 3.49Å; V493-E496 PolarHBondContact O-N 2.87Å; V493-L497 HydrophobicContact CG1-CD1 4.11Å; V493-L497 HydrophobicContact CG1-CG 4.42Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.29Å; V493-L497 PolarHBondContact O-N 3.23Å
494	I	86.5	Confident	80.2	Confident	18 Å²	18	63.4 Å²	63.4	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-43.6	179.4	-67.5	164.2	0	0	0	110.5	F471 Y475 M490 L491 L497 Q498	F471-I494 HydrophobicContact CB-CD1 4.47Å; F471-I494 HydrophobicContact CB-CG1 3.98Å; Y475-I494 HydrophobicContact CG-CD1 4.28Å; M490-I494 VanDerWaalsContact O-CG1 3.26Å; M490-I494 WeakPolarHBondContact O-CG1 3.32Å; M490-I494 PolarHBondContact O-N 2.63Å; L491-I494 PolarHBondContact O-N 3.24Å; I494-L497 PolarHBondContact O-N 3.46Å; I494-Q498 HydrophobicContact CG2-CG 4.45Å; I494-Q498 WeakPolarHBondContact O-CG 3.5Å; I494-Q498 PolarHBondContact O-N 3.36Å
495	D	86.3	Confident	79.6	Confident	85 Å²	85	62.2 Å²	62.2	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-44.4	177.3	-80.4	-1.6	0	0	0	111.6	L491 L497 Q498 S499	L491-D495 WeakPolarHBondContact CD2-OD2 3.33Å; L491-D495 WeakPolarHBondContact O-CB 3.31Å; L491-D495 PolarHBondContact O-N 3.38Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.09Å; D495-Q498 PolarHBondContact O-N 3.45Å; D495-S499 WeakPolarHBondContact O-CB 3.46Å; D495-S499 PolarHBondContact O-N 3.13Å; D495-S499 PolarHBondContact O-OG 2.83Å
496	E	84.3	Confident	79.3	Confident	53 Å²	53	60 Å²	60	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-45	173.9	-79.8	178.3	-173.3	0	0	110.4	K150 E492 V493 Q498 S499 T500	K150-E496 WeakPolarHBondContact CE-OE1 3.31Å; K150-E496 WeakPolarHBondContact CG-OE1 3.45Å; E492-E496 WeakPolarHBondContact O-CB 3.04Å; E492-E496 WeakPolarHBondContact O-CG 3.45Å; E492-E496 PolarHBondContact O-N 2.91Å; E492-E496 VanDerWaalsContact O-N 3.07Å; V493-E496 PolarHBondContact O-N 2.87Å; E496-Q498 PolarHBondContact O-N 3.37Å; E496-S499 PolarHBondContact O-N 3.29Å; E496-S499 PolarHBondContact O-OG 3.17Å; E496-T500 PolarHBondContact O-N 3.37Å; E496-T500 PolarHBondContact O-OG1 3.03Å; E496-T500 VanDerWaalsContact O-OG1 3.05Å
497	L	83.2	Confident	78.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-46.3	179	-68.7	174.5	0	0	0	112.1	L459 R464 F471 V493 I494 D495 S499 T500 D501	L459-L497 HydrophobicContact CD1-CD2 4.41Å; L459-L497 HydrophobicContact CD2-CD1 4.23Å; L459-L497 HydrophobicContact CD2-CD2 3.46Å; L459-L497 VanDerWaalsContact CD2-CD2 3.46Å; L459-L497 HydrophobicContact CD2-CG 4.49Å; R464-L497 VanDerWaalsContact NH2-C 3.27Å; R464-L497 VanDerWaalsContact NH2-CD2 3.26Å; R464-L497 PolarHBondContact NH2-O 3.48Å; F471-L497 HydrophobicContact CD2-CD1 3.66Å; F471-L497 HydrophobicContact CE2-CD1 4.01Å; V493-L497 HydrophobicContact CG1-CD1 4.11Å; V493-L497 HydrophobicContact CG1-CG 4.42Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.29Å; V493-L497 PolarHBondContact O-N 3.23Å; I494-L497 PolarHBondContact O-N 3.46Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.09Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 2.98Å; L497-T500 PolarHBondContact O-N 3.05Å; L497-T500 PolarHBondContact O-OG1 2.71Å; L497-D501 PolarHBondContact O-N 2.83Å; L497-D501 VanDerWaalsContact O-N 3.16Å
498	Q	82.5	Confident	77.5	Confident	69 Å²	69	66.5 Å²	66.5	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-36.1	178.2	-71	179.9	6	0	0	113	I494 D495 E496 D501 R502	I494-Q498 HydrophobicContact CG2-CG 4.45Å; I494-Q498 WeakPolarHBondContact O-CG 3.5Å; I494-Q498 PolarHBondContact O-N 3.36Å; D495-Q498 PolarHBondContact O-N 3.45Å; E496-Q498 PolarHBondContact O-N 3.37Å; Q498-D501 PolarHBondContact O-N 3.19Å; Q498-R502 WeakPolarHBondContact O-CG 3.3Å; Q498-R502 PolarHBondContact O-N 3.2Å; Q498-R502 VanDerWaalsContact O-N 3.12Å
499	S	80.9	Confident	76.4	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-46.7	179.5	68.3	0	0	0	0	111.7	D495 E496 L497 D501 R502 E503	D495-S499 WeakPolarHBondContact O-CB 3.46Å; D495-S499 PolarHBondContact O-N 3.13Å; D495-S499 PolarHBondContact O-OG 2.83Å; E496-S499 PolarHBondContact O-N 3.29Å; E496-S499 PolarHBondContact O-OG 3.17Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 2.98Å; S499-D501 PolarHBondContact O-N 3.47Å; S499-R502 PolarHBondContact O-N 2.79Å; S499-E503 PolarHBondContact O-N 3.19Å
500	T	76.2	Confident	75.6	Confident	18 Å²	18	67.6 Å²	67.6	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-29.3	177.8	48.6	0	0	0	0	113.3	R464 E496 L497 E503 M504	R464-T500 PolarHBondContact NH1-OG1 2.94Å; R464-T500 PolarHBondContact NH2-OG1 3.14Å; E496-T500 PolarHBondContact O-N 3.37Å; E496-T500 PolarHBondContact O-OG1 3.03Å; E496-T500 VanDerWaalsContact O-OG1 3.05Å; L497-T500 PolarHBondContact O-N 3.05Å; L497-T500 PolarHBondContact O-OG1 2.71Å; T500-E503 PolarHBondContact O-N 2.92Å; T500-M504 WeakPolarHBondContact O-CG 3.35Å; T500-M504 PolarHBondContact O-N 3.13Å
501	D	73.7	Confident	74.2	Confident	44 Å²	44	71.8 Å²	71.8	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-44.9	170.9	-72	-33.5	0	0	0	111.2	R464 L497 Q498 S499 E503 M504 D505	R464-D501 VanDerWaalsContact CD-OD1 3.29Å; R464-D501 WeakPolarHBondContact CD-OD1 3.42Å; R464-D501 IonicContact CZ-OD1 3.62Å; R464-D501 IonicContact NE-OD1 2.65Å; R464-D501 PolarHBondContact NE-OD1 2.85Å; R464-D501 IonicContact NE-OD2 3.72Å; R464-D501 IonicContact NH2-OD1 3.87Å; L497-D501 PolarHBondContact O-N 2.83Å; L497-D501 VanDerWaalsContact O-N 3.16Å; Q498-D501 PolarHBondContact O-N 3.19Å; S499-D501 PolarHBondContact O-N 3.47Å; D501-E503 VanDerWaalsContact C-N 3.31Å; D501-E503 PolarHBondContact O-N 3.46Å; D501-M504 PolarHBondContact O-N 3.24Å; D501-D505 PolarHBondContact O-N 3.49Å
502	R	71.6	Confident	72.9	Confident	171 Å²	171	72.4 Å²	72.4	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-62.5	-37.7	176.5	-68.5	176.5	-167.7	162.4	8.8	112.5	Q498 S499 A506	Q498-R502 WeakPolarHBondContact O-CG 3.3Å; Q498-R502 PolarHBondContact O-N 3.2Å; Q498-R502 VanDerWaalsContact O-N 3.12Å; S499-R502 PolarHBondContact O-N 2.79Å; R502-A506 WeakPolarHBondContact O-CB 3.31Å; R502-A506 PolarHBondContact O-N 3.47Å
503	E	70.4	Confident	71.6	Confident	110 Å²	110	74.9 Å²	74.9	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-46.4	174.9	-72.6	-179.2	-172.3	0	0	111	S499 T500 D501 D505 A506 Y507	S499-E503 PolarHBondContact O-N 3.19Å; T500-E503 PolarHBondContact O-N 2.92Å; D501-E503 VanDerWaalsContact C-N 3.31Å; D501-E503 PolarHBondContact O-N 3.46Å; E503-D505 PolarHBondContact O-N 2.87Å; E503-A506 PolarHBondContact O-N 2.98Å; E503-Y507 HydrophobicContact CB-CE2 4.39Å; E503-Y507 WeakPolarHBondContact O-CD2 3.48Å; E503-Y507 PolarHBondContact O-N 2.85Å
504	M	66.7	Low	70.3	Confident	118 Å²	118	79.1 Å²	79.1	58%	0.581	41%	0.411	S	S	*	.	H	α-helix	trans	-61.6	-42.8	177.9	-73.6	-179.4	59.1	0	0	112.6	T500 D501 A506 Y507 A508	T500-M504 WeakPolarHBondContact O-CG 3.35Å; T500-M504 PolarHBondContact O-N 3.13Å; D501-M504 PolarHBondContact O-N 3.24Å; M504-A506 VanDerWaalsContact C-N 3.34Å; M504-A506 PolarHBondContact O-N 3.32Å; M504-Y507 PolarHBondContact O-N 3.39Å; M504-A508 PolarHBondContact O-N 2.97Å
505	D	70.8	Confident	69	Low	105 Å²	105	83.3 Å²	83.3	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-64.3	-38.6	176.6	-71.3	-20.4	0	0	0	111.7	D501 E503 A508 L509	D501-D505 PolarHBondContact O-N 3.49Å; E503-D505 PolarHBondContact O-N 2.87Å; D505-A508 PolarHBondContact O-N 2.91Å; D505-L509 WeakPolarHBondContact O-CD1 3.28Å; D505-L509 WeakPolarHBondContact O-CG 3.36Å; D505-L509 PolarHBondContact O-N 3.36Å; D505-L509 VanDerWaalsContact O-N 3.09Å
506	A	66.4	Low	67.7	Low	53 Å²	53	84.6 Å²	84.6	44%	0.438	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-41.5	176.6	0	0	0	0	0	112.5	R502 E503 M504 L509 T510	R502-A506 WeakPolarHBondContact O-CB 3.31Å; R502-A506 PolarHBondContact O-N 3.47Å; E503-A506 PolarHBondContact O-N 2.98Å; M504-A506 VanDerWaalsContact C-N 3.34Å; M504-A506 PolarHBondContact O-N 3.32Å; A506-L509 PolarHBondContact O-N 2.98Å; A506-T510 PolarHBondContact O-N 3.38Å; A506-T510 VanDerWaalsContact O-N 3.14Å; A506-T510 PolarHBondContact O-OG1 3.25Å
507	Y	62.3	Low	66.6	Low	147 Å²	147	90.8 Å²	90.8	58%	0.576	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-39	175.7	-73.6	-67.2	0	0	0	112.4	E503 M504 L509 T510 D511	E503-Y507 HydrophobicContact CB-CE2 4.39Å; E503-Y507 WeakPolarHBondContact O-CD2 3.48Å; E503-Y507 PolarHBondContact O-N 2.85Å; M504-Y507 PolarHBondContact O-N 3.39Å; Y507-L509 VanDerWaalsContact C-N 3.3Å; Y507-L509 PolarHBondContact O-N 3.32Å; Y507-T510 WeakPolarHBondContact CA-OG1 3.39Å; Y507-T510 PolarHBondContact O-N 3.47Å; Y507-T510 PolarHBondContact O-OG1 3.1Å; Y507-D511 PolarHBondContact O-N 3.22Å
508	A	60	Low	65.5	Low	54 Å²	54	94.9 Å²	94.9	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-38	176.6	0	0	0	0	0	111.9	M504 D505 T512	M504-A508 PolarHBondContact O-N 2.97Å; D505-A508 PolarHBondContact O-N 2.91Å; A508-T512 WeakPolarHBondContact O-CG2 3.33Å; A508-T512 PolarHBondContact O-N 3.35Å; A508-T512 PolarHBondContact O-OG1 3.12Å
509	L	59.7	Low	64.3	Low	109 Å²	109	100.1 Å²	100.1	57%	0.571	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-43.8	174.9	-76	160.7	0	0	0	111.9	D505 A506 Y507 T512 E513	D505-L509 WeakPolarHBondContact O-CD1 3.28Å; D505-L509 WeakPolarHBondContact O-CG 3.36Å; D505-L509 PolarHBondContact O-N 3.36Å; D505-L509 VanDerWaalsContact O-N 3.09Å; A506-L509 PolarHBondContact O-N 2.98Å; Y507-L509 VanDerWaalsContact C-N 3.3Å; Y507-L509 PolarHBondContact O-N 3.32Å; L509-T512 PolarHBondContact O-N 3.2Å; L509-T512 PolarHBondContact O-OG1 3.15Å; L509-E513 PolarHBondContact O-N 3.04Å
510	T	62	Low	63	Low	65 Å²	65	103.7 Å²	103.7	40%	0.399	56%	0.563	S	S	.	*	H	α-helix	trans	-65.5	-39.7	178.3	53.3	0	0	0	0	112.6	A506 Y507 T512 E513 D514	A506-T510 PolarHBondContact O-N 3.38Å; A506-T510 VanDerWaalsContact O-N 3.14Å; A506-T510 PolarHBondContact O-OG1 3.25Å; Y507-T510 WeakPolarHBondContact CA-OG1 3.39Å; Y507-T510 PolarHBondContact O-N 3.47Å; Y507-T510 PolarHBondContact O-OG1 3.1Å; T510-T512 VanDerWaalsContact C-N 3.29Å; T510-T512 PolarHBondContact O-N 3.23Å; T510-E513 PolarHBondContact O-N 3.47Å; T510-D514 PolarHBondContact O-N 2.89Å
511	D	57.2	Low	62.4	Low	101 Å²	101	108 Å²	108	54%	0.54	59%	0.585	S	S	.	*	H	α-helix	trans	-65.8	-32.5	177.3	-75.6	-13.4	0	0	0	112	Y507 N515	Y507-D511 PolarHBondContact O-N 3.22Å; D511-N515 WeakPolarHBondContact O-CB 3.41Å; D511-N515 PolarHBondContact O-N 2.91Å; D511-N515 VanDerWaalsContact O-N 3.15Å; D511-N515 PolarHBondContact O-ND2 3.43Å
512	T	59.6	Low	61.8	Low	82 Å²	82	111.3 Å²	111.3	50%	0.503	60%	0.604	S	S	.	*	H	α-helix	trans	-72.3	-37.1	173.7	56.6	0	0	0	0	112.8	A508 L509 T510 V516	A508-T512 WeakPolarHBondContact O-CG2 3.33Å; A508-T512 PolarHBondContact O-N 3.35Å; A508-T512 PolarHBondContact O-OG1 3.12Å; L509-T512 PolarHBondContact O-N 3.2Å; L509-T512 PolarHBondContact O-OG1 3.15Å; T510-T512 VanDerWaalsContact C-N 3.29Å; T510-T512 PolarHBondContact O-N 3.23Å; T512-V516 WeakPolarHBondContact O-CG2 3.48Å; T512-V516 PolarHBondContact O-N 3.34Å; T512-V516 VanDerWaalsContact O-N 3.14Å
513	E	58.4	Low	61.2	Low	112 Å²	112	108 Å²	108	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-69.3	-38.5	176.6	-72.8	-171.4	175.7	0	0	112.4	L509 T510 V516 R517	L509-E513 PolarHBondContact O-N 3.04Å; T510-E513 PolarHBondContact O-N 3.47Å; E513-V516 PolarHBondContact O-N 3.08Å; E513-R517 WeakPolarHBondContact O-CG 3.24Å; E513-R517 PolarHBondContact O-N 3.22Å
514	D	58.6	Low	60.7	Low	98 Å²	98	107.9 Å²	107.9	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-71.3	-37.2	178.6	-77.6	-20.1	0	0	0	112.1	T510 R517 S518	T510-D514 PolarHBondContact O-N 2.89Å; D514-R517 PolarHBondContact O-N 3.02Å; D514-S518 PolarHBondContact O-N 3.39Å; D514-S518 VanDerWaalsContact O-N 3.11Å; D514-S518 PolarHBondContact O-OG 3.07Å
515	N	57.4	Low	60.3	Low	106 Å²	106	107.3 Å²	107.3	57%	0.567	61%	0.608	S	S	*	*	H	α-helix	trans	-65.1	-42.9	173.1	-83.1	-32	0	0	0	112	D511 R517 S518 E519	D511-N515 WeakPolarHBondContact O-CB 3.41Å; D511-N515 PolarHBondContact O-N 2.91Å; D511-N515 VanDerWaalsContact O-N 3.15Å; D511-N515 PolarHBondContact O-ND2 3.43Å; N515-R517 VanDerWaalsContact C-N 3.3Å; N515-R517 PolarHBondContact O-N 3.3Å; N515-S518 PolarHBondContact O-N 3.17Å; N515-S518 VanDerWaalsContact O-N 3.15Å; N515-S518 PolarHBondContact O-OG 3.39Å; N515-E519 PolarHBondContact O-N 3.07Å
516	V	60.5	Low	59.6	Low	112 Å²	112	107.4 Å²	107.4	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-31.3	178	173.7	0	0	0	0	112	T512 E513	T512-V516 WeakPolarHBondContact O-CG2 3.48Å; T512-V516 PolarHBondContact O-N 3.34Å; T512-V516 VanDerWaalsContact O-N 3.14Å; E513-V516 PolarHBondContact O-N 3.08Å
517	R	59.7	Low	59.1	Low	183 Å²	183	111.3 Å²	111.3	69%	0.691	62%	0.624	S	S	*	*	H	α-helix	trans	-77.4	-18.6	174.3	-76.6	-180	179	164.3	6.6	114.3	E513 D514 N515	E513-R517 WeakPolarHBondContact O-CG 3.24Å; E513-R517 PolarHBondContact O-N 3.22Å; D514-R517 PolarHBondContact O-N 3.02Å; N515-R517 VanDerWaalsContact C-N 3.3Å; N515-R517 PolarHBondContact O-N 3.3Å
518	S	60.8	Low	58.9	Low	86 Å²	86	108.5 Å²	108.5	60%	0.601	63%	0.627	S	S	*	*	H	α-helix	trans	-89.6	-16.2	178.4	72	0	0	0	0	114	D514 N515	D514-S518 PolarHBondContact O-N 3.39Å; D514-S518 VanDerWaalsContact O-N 3.11Å; D514-S518 PolarHBondContact O-OG 3.07Å; N515-S518 PolarHBondContact O-N 3.17Å; N515-S518 VanDerWaalsContact O-N 3.15Å; N515-S518 PolarHBondContact O-OG 3.39Å
519	E	58.2	Low	58.8	Low	180 Å²	180	113.1 Å²	113.1	84%	0.841	64%	0.642	S	S	*	*			trans	-104.2	-1.3	179.5	-67.6	-169	159.1	0	0	114.6	N515	N515-E519 PolarHBondContact O-N 3.07Å
520	G	53.8	Low	58.7	Low	123 Å²	123	113.5 Å²	113.5	100%	1.268	65%	0.649	S	S	*	*			trans	-112.7	0	173.3	0	0	0	0	0	112.1

Retrieved 520 of 520 residues in 1140.4 ms (Link to these results)

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