A0A090N7U0_HUMAN Loading...

Cullin-1

AlphaFold DB (Q13616), UniProt , Accession A0A090N7U0, Species HUMAN (Homo sapiens, Human), Gene CUL1, Length 776 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	38.2	Very low	33	Very low	251 Å²	251	147.4 Å²	147.4	100%	1.236	82%	0.823	S	S	*	*				0	111.9	0	-73.6	-178.4	171.1	0	0	107.6
2	S	33.7	Very low	34.2	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	79%	0.788	S	S	*	*			trans	-86.9	132.3	-172.5	165.7	0	0	0	0	110.7
3	S	35.2	Very low	35.6	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	79%	0.788	S	S	*	*			trans	-166.5	98.3	146.1	-83.4	0	0	0	0	111.1
4	T	35.8	Very low	37	Very low	136 Å²	136	146.7 Å²	146.7	83%	0.834	79%	0.79	S	S	*	*			trans	41.6	127.9	137.5	45.8	0	0	0	0	123.7
5	R	29	Very low	38.7	Very low	245 Å²	245	139.3 Å²	139.3	93%	0.925	75%	0.75	S	S	*	*			trans	-76	162.2	161.5	-86.3	175	163.7	172.6	-5	113.2
6	S	27.6	Very low	40.7	Very low	96 Å²	96	132.8 Å²	132.8	67%	0.671	73%	0.725	S	S	*	*			trans	94.3	103	144.8	170.8	0	0	0	0	119.9
7	Q	28.3	Very low	42.7	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	69%	0.685	S	S	*	*				162.3	134.8	106.2	-106.3	162.3	36.4	0	0	114.7
8	N	31.1	Very low	44.8	Very low	157 Å²	157	124.3 Å²	124.3	84%	0.84	68%	0.678	S	S	*	*			trans	52	115.3	157.8	-93.1	-4	0	0	0	122.7
9	P	32.7	Very low	46.6	Very low	106 Å²	106	125.6 Å²	125.6	69%	0.688	68%	0.679	S	S	*	*			trans	-106.8	54.5	-180	42	-33	0	0	0	113.7
10	H	34.5	Very low	48.5	Very low	156 Å²	156	119.8 Å²	119.8	72%	0.722	65%	0.647	S	S	*	*			trans	-151.9	94.7	172.2	-76.6	-56.5	0	0	0	113.3
11	G	36.4	Very low	50.4	Low	71 Å²	71	115.1 Å²	115.1	73%	0.732	62%	0.621	S	S	*	*			trans	-123.3	92.4	158.3	0	0	0	0	0	109	K13	G11-K13 PolarHBondContact O-N 2.99Å
12	L	48.1	Very low	52.7	Low	76 Å²	76	108.8 Å²	108.8	40%	0.398	59%	0.591	S	S	.	*			trans	-75.9	116.3	174.1	-83.7	153.8	0	0	0	108.2
13	K	51.7	Low	55.4	Low	183 Å²	183	105.9 Å²	105.9	80%	0.796	57%	0.567	S	S	*	*			trans	-58.4	149.9	173.5	-73.5	-178.9	176.6	179	0	110.3	G11 I15	G11-K13 PolarHBondContact O-N 2.99Å; K13-I15 VanDerWaalsContact O-CG1 3.28Å; K13-I15 WeakPolarHBondContact O-CG1 3.49Å; K13-I15 PolarHBondContact O-N 2.77Å; K13-I15 VanDerWaalsContact O-N 3.11Å
14	Q	55.5	Low	58	Low	174 Å²	174	100.6 Å²	100.6	81%	0.813	53%	0.53	S	S	*	.			trans	-63.2	110.2	174.5	-162.3	171.8	13.4	0	0	109.3
15	I	62.4	Low	60.7	Low	36 Å²	36	100 Å²	100	19%	0.185	51%	0.513	C	S	.	.			trans	-94.6	115.8	-177	-52.7	-176.8	0	0	0	108.4	K13 Q19 I20 N51	K13-I15 VanDerWaalsContact O-CG1 3.28Å; K13-I15 WeakPolarHBondContact O-CG1 3.49Å; K13-I15 PolarHBondContact O-N 2.77Å; K13-I15 VanDerWaalsContact O-N 3.11Å; I15-Q19 HydrophobicContact CG2-CB 4.47Å; I15-I20 HydrophobicContact CG2-CG2 3.52Å; I15-N51 HydrophobicContact CD1-CB 3.98Å
16	G	70.8	Confident	63.6	Low	34 Å²	34	90.5 Å²	90.5	35%	0.351	49%	0.486	S	S	.	.			trans	-72.8	146.1	171.7	0	0	0	0	0	111.1	D18 Q19	G16-D18 PolarHBondContact O-N 2.8Å; G16-Q19 WeakPolarHBondContact O-CB 3.45Å; G16-Q19 PolarHBondContact O-N 3.06Å
17	L	75.6	Confident	66.6	Low	10 Å²	10	86 Å²	86	5%	0.052	45%	0.454	C	S	.	.	H	α-helix	trans	-58	-40	-178.2	-173.3	55.2	0	0	0	111.5	Q19 I20 W21 Y52 E87 L88 R91	L17-Q19 PolarHBondContact O-N 2.93Å; L17-I20 HydrophobicContact CD1-CD1 4.23Å; L17-I20 HydrophobicContact CD1-CG1 4.17Å; L17-I20 VanDerWaalsContact O-CG1 3.3Å; L17-I20 WeakPolarHBondContact O-CG1 3.33Å; L17-I20 PolarHBondContact O-N 3.28Å; L17-I20 VanDerWaalsContact O-N 3.09Å; L17-W21 HydrophobicContact CD1-CB 4.44Å; L17-W21 HydrophobicContact CD1-CE3 4.33Å; L17-W21 HydrophobicContact CG-CB 4.24Å; L17-W21 WeakPolarHBondContact O-CA 3.4Å; L17-W21 WeakPolarHBondContact O-CB 3.44Å; L17-W21 PolarHBondContact O-N 3.29Å; L17-Y52 HydrophobicContact CB-CE1 4.4Å; L17-Y52 HydrophobicContact CB-CE2 3.66Å; L17-Y52 WeakPolarHBondContact CB-OH 3.25Å; L17-Y52 HydrophobicContact CD1-CD1 4.03Å; L17-Y52 HydrophobicContact CD1-CD2 4.37Å; L17-Y52 HydrophobicContact CD1-CE1 3.68Å; L17-Y52 HydrophobicContact CD1-CE2 4.09Å; L17-Y52 HydrophobicContact CD1-CG 4.37Å; L17-Y52 HydrophobicContact CD2-CE1 4.49Å; L17-Y52 HydrophobicContact CG-CE1 4.39Å; L17-Y52 HydrophobicContact CG-CE2 4.42Å; L17-E87 HydrophobicContact CD2-CB 4.21Å; L17-E87 HydrophobicContact CD2-CG 3.54Å; L17-L88 HydrophobicContact CD1-CB 4.4Å; L17-L88 HydrophobicContact CD1-CD1 3.99Å; L17-R91 HydrophobicContact CD2-CG 4.33Å
18	D	80.4	Confident	69.6	Low	104 Å²	104	77.5 Å²	77.5	56%	0.556	42%	0.415	S	S	*	.	H	α-helix	trans	-60.8	-27.3	-179.8	-58.7	-38.8	0	0	0	112.8	G16 I20 R91	G16-D18 PolarHBondContact O-N 2.8Å; D18-I20 VanDerWaalsContact C-N 3.3Å; D18-I20 PolarHBondContact O-N 3.18Å; D18-R91 IonicContact OD1-CZ 2.74Å; D18-R91 IonicContact OD1-NH1 3.68Å; D18-R91 PolarHBondContact OD1-NH1 3.04Å; D18-R91 IonicContact OD1-NH2 3.11Å; D18-R91 PolarHBondContact OD1-NH2 2.67Å
19	Q	78.3	Confident	72.5	Confident	149 Å²	149	73.8 Å²	73.8	70%	0.696	39%	0.393	S	S	*	.	H	α-helix	trans	-72.4	-23.6	178.8	-64.7	176.8	-6.9	0	0	113.2	I15 G16 L17	I15-Q19 HydrophobicContact CG2-CB 4.47Å; G16-Q19 WeakPolarHBondContact O-CB 3.45Å; G16-Q19 PolarHBondContact O-N 3.06Å; L17-Q19 PolarHBondContact O-N 2.93Å
20	I	84.5	Confident	75.3	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-113.8	-18.1	-179.7	61.6	163.7	0	0	0	112.8	I15 L17 D18 D22 D23 L24 H48 Y52	I15-I20 HydrophobicContact CG2-CG2 3.52Å; L17-I20 HydrophobicContact CD1-CD1 4.23Å; L17-I20 HydrophobicContact CD1-CG1 4.17Å; L17-I20 VanDerWaalsContact O-CG1 3.3Å; L17-I20 WeakPolarHBondContact O-CG1 3.33Å; L17-I20 PolarHBondContact O-N 3.28Å; L17-I20 VanDerWaalsContact O-N 3.09Å; D18-I20 VanDerWaalsContact C-N 3.3Å; D18-I20 PolarHBondContact O-N 3.18Å; I20-D22 VanDerWaalsContact C-N 3.35Å; I20-D22 PolarHBondContact O-N 3.42Å; I20-D23 PolarHBondContact O-N 3.26Å; I20-L24 VanDerWaalsContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 PolarHBondContact O-N 3.37Å; I20-H48 HydrophobicContact CD1-CB 4.47Å; I20-Y52 VanDerWaalsContact CD1-CB 3.48Å; I20-Y52 HydrophobicContact CD1-CD2 3.95Å; I20-Y52 HydrophobicContact CD1-CG 3.73Å
21	W	88	Confident	78.1	Confident	23 Å²	23	64.6 Å²	64.6	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-35.9	-170.8	-179.7	-108.9	0	0	0	112	L17 L24 R25 L88 R91 L92	L17-W21 HydrophobicContact CD1-CB 4.44Å; L17-W21 HydrophobicContact CD1-CE3 4.33Å; L17-W21 HydrophobicContact CG-CB 4.24Å; L17-W21 WeakPolarHBondContact O-CA 3.4Å; L17-W21 WeakPolarHBondContact O-CB 3.44Å; L17-W21 PolarHBondContact O-N 3.29Å; W21-L24 HydrophobicContact CE3-CD2 4.04Å; W21-L24 HydrophobicContact CZ3-CD2 4.04Å; W21-L24 PolarHBondContact O-N 2.88Å; W21-R25 HydrophobicContact CZ2-CB 4.36Å; W21-R25 WeakPolarHBondContact O-CA 3.48Å; W21-R25 WeakPolarHBondContact O-CB 3.33Å; W21-R25 PolarHBondContact O-N 2.87Å; W21-L88 HydrophobicContact CE3-CD1 4.01Å; W21-L88 HydrophobicContact CZ3-CD1 3.69Å; W21-R91 HydrophobicContact CD2-CB 4.25Å; W21-R91 HydrophobicContact CE3-CB 4.21Å; W21-R91 HydrophobicContact CH2-CB 3.48Å; W21-R91 VanDerWaalsContact CH2-CB 3.48Å; W21-R91 HydrophobicContact CZ2-CB 3.51Å; W21-R91 HydrophobicContact CZ2-CG 4.46Å; W21-R91 HydrophobicContact CZ3-CB 3.84Å; W21-L92 HydrophobicContact CH2-CD2 4.1Å; W21-L92 HydrophobicContact CH2-CG 4.38Å; W21-L92 HydrophobicContact CZ3-CD2 4.12Å; W21-L92 HydrophobicContact CZ3-CG 4.34Å
22	D	87.8	Confident	80.7	Confident	117 Å²	117	61.4 Å²	61.4	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-63	-45.6	178.3	-71	-24.2	0	0	0	111.5	I20 A26	I20-D22 VanDerWaalsContact C-N 3.35Å; I20-D22 PolarHBondContact O-N 3.42Å; D22-A26 WeakPolarHBondContact O-CB 3.43Å; D22-A26 PolarHBondContact O-N 2.9Å
23	D	90.1	Very high	82.6	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-70.3	-40.6	177.1	-171.3	67.9	0	0	0	112.3	I20 A26 G27 R41 H48	I20-D23 PolarHBondContact O-N 3.26Å; D23-A26 PolarHBondContact O-N 3.05Å; D23-G27 PolarHBondContact O-N 3.38Å; D23-R41 PolarHBondContact O-NH2 2.88Å; D23-R41 IonicContact OD1-CZ 3.84Å; D23-R41 IonicContact OD1-NH1 3.18Å; D23-R41 PolarHBondContact OD1-NH1 3.18Å; D23-R41 IonicContact OD1-NH2 3.87Å; D23-R41 PolarHBondContact OD1-NH2 3.17Å; D23-R41 IonicContact OD2-CZ 3.35Å; D23-R41 VanDerWaalsContact OD2-CZ 3.22Å; D23-R41 IonicContact OD2-NH1 2.8Å; D23-R41 PolarHBondContact OD2-NH1 3.26Å; D23-R41 IonicContact OD2-NH2 3.22Å; D23-R41 PolarHBondContact OD2-NH2 3.24Å; D23-H48 IonicContact OD2-CD2 2.88Å; D23-H48 IonicContact OD2-NE2 3.89Å
24	L	89.8	Confident	84.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.1	-176	62.3	0	0	0	110.7	I20 W21 G27 I28 L45 V49 L88 I136	I20-L24 VanDerWaalsContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 PolarHBondContact O-N 3.37Å; W21-L24 HydrophobicContact CE3-CD2 4.04Å; W21-L24 HydrophobicContact CZ3-CD2 4.04Å; W21-L24 PolarHBondContact O-N 2.88Å; L24-G27 PolarHBondContact O-N 2.94Å; L24-I28 HydrophobicContact CD1-CD1 4.37Å; L24-I28 HydrophobicContact CG-CD1 3.97Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.25Å; L24-L45 HydrophobicContact CD1-CB 4.34Å; L24-L45 HydrophobicContact CD1-CD2 4.1Å; L24-V49 HydrophobicContact CD1-CG2 3.98Å; L24-V49 HydrophobicContact CD2-CG2 4.04Å; L24-L88 HydrophobicContact CD2-CD1 3.73Å; L24-I136 HydrophobicContact CD1-CG2 4.3Å
25	R	91	Very high	85.6	Confident	124 Å²	124	56.3 Å²	56.3	47%	0.468	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176.3	-178.5	-175.9	177.4	-173.5	1	111	W21 G27 I28 Q29 F95	W21-R25 HydrophobicContact CZ2-CB 4.36Å; W21-R25 WeakPolarHBondContact O-CA 3.48Å; W21-R25 WeakPolarHBondContact O-CB 3.33Å; W21-R25 PolarHBondContact O-N 2.87Å; R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.5Å; R25-I28 PolarHBondContact O-N 3.43Å; R25-Q29 WeakPolarHBondContact O-CB 3.27Å; R25-Q29 PolarHBondContact O-N 3.37Å; R25-F95 HydrophobicContact CG-CD2 4.01Å; R25-F95 HydrophobicContact CG-CE2 4.1Å
26	A	90.3	Very high	86.6	Confident	45 Å²	45	60.5 Å²	60.5	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-43.6	174.9	0	0	0	0	0	111.3	D22 D23 Q29 Q30	D22-A26 WeakPolarHBondContact O-CB 3.43Å; D22-A26 PolarHBondContact O-N 2.9Å; D23-A26 PolarHBondContact O-N 3.05Å; A26-Q29 WeakPolarHBondContact O-CB 3.48Å; A26-Q29 PolarHBondContact O-N 3.5Å; A26-Q30 WeakPolarHBondContact O-CG 3.3Å; A26-Q30 PolarHBondContact O-N 3.22Å
27	G	91.2	Very high	87.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-43.4	174.3	0	0	0	0	0	113.2	D23 L24 R25 Q30 V31 M37	D23-G27 PolarHBondContact O-N 3.38Å; L24-G27 PolarHBondContact O-N 2.94Å; R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.5Å; G27-Q30 WeakPolarHBondContact O-CB 3.32Å; G27-Q30 PolarHBondContact O-N 3.43Å; G27-V31 WeakPolarHBondContact O-CG2 3.4Å; G27-V31 PolarHBondContact O-N 3.14Å; G27-V31 VanDerWaalsContact O-N 3.11Å; G27-M37 WeakPolarHBondContact O-CE 3.48Å
28	I	91.9	Very high	88	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.3	-61.6	166.3	0	0	0	110	L24 R25 Q30 V31 Y32 L92 F95 L133	L24-I28 HydrophobicContact CD1-CD1 4.37Å; L24-I28 HydrophobicContact CG-CD1 3.97Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.25Å; R25-I28 PolarHBondContact O-N 3.43Å; I28-Q30 VanDerWaalsContact C-N 3.3Å; I28-Q30 PolarHBondContact O-N 3.38Å; I28-V31 WeakPolarHBondContact O-CB 3.25Å; I28-V31 PolarHBondContact O-N 3.31Å; I28-V31 VanDerWaalsContact O-N 3.1Å; I28-Y32 HydrophobicContact CG2-CD2 3.72Å; I28-Y32 HydrophobicContact CG2-CE2 3.82Å; I28-Y32 WeakPolarHBondContact O-CD2 3.32Å; I28-Y32 PolarHBondContact O-N 3.01Å; I28-L92 HydrophobicContact CD1-CD2 3.39Å; I28-F95 HydrophobicContact CB-CE1 4.36Å; I28-F95 HydrophobicContact CB-CZ 4.29Å; I28-F95 HydrophobicContact CG2-CD1 3.75Å; I28-F95 HydrophobicContact CG2-CE1 3.29Å; I28-F95 HydrophobicContact CG2-CE2 4.38Å; I28-F95 HydrophobicContact CG2-CG 4.5Å; I28-F95 HydrophobicContact CG2-CZ 3.65Å; I28-L133 HydrophobicContact CD1-CD1 3.89Å; I28-L133 HydrophobicContact CG1-CD1 3.75Å; I28-L133 HydrophobicContact CG2-CD1 4.08Å
29	Q	92.4	Very high	88.5	Confident	79 Å²	79	66.7 Å²	66.7	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-41.2	174.9	-166.4	90.7	30.1	0	0	111.3	R25 A26 V31 Y32 T33 F95	R25-Q29 WeakPolarHBondContact O-CB 3.27Å; R25-Q29 PolarHBondContact O-N 3.37Å; A26-Q29 WeakPolarHBondContact O-CB 3.48Å; A26-Q29 PolarHBondContact O-N 3.5Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.1Å; Q29-Y32 PolarHBondContact O-N 3.06Å; Q29-T33 HydrophobicContact CG-CG2 4.35Å; Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 WeakPolarHBondContact O-CG2 3.43Å; Q29-T33 PolarHBondContact O-N 3.39Å; Q29-T33 PolarHBondContact O-OG1 2.77Å; Q29-F95 HydrophobicContact CB-CZ 4.49Å
30	Q	90.9	Very high	89.1	Confident	56 Å²	56	64 Å²	64	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-42.2	174.5	-72.3	174.5	0.5	0	0	111.8	A26 G27 I28 T33 R34 Q35 M37	A26-Q30 WeakPolarHBondContact O-CG 3.3Å; A26-Q30 PolarHBondContact O-N 3.22Å; G27-Q30 WeakPolarHBondContact O-CB 3.32Å; G27-Q30 PolarHBondContact O-N 3.43Å; I28-Q30 VanDerWaalsContact C-N 3.3Å; I28-Q30 PolarHBondContact O-N 3.38Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.28Å; Q30-T33 PolarHBondContact O-N 3.44Å; Q30-T33 PolarHBondContact O-OG1 3.42Å; Q30-R34 PolarHBondContact O-N 3Å; Q30-Q35 HydrophobicContact CB-CB 4.28Å; Q30-Q35 PolarHBondContact O-N 3.48Å; Q30-M37 HydrophobicContact CB-CE 4.13Å
31	V	92	Very high	89.4	Confident	13 Å²	13	65.4 Å²	65.4	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-50.6	176.6	174.8	0	0	0	0	110.8	G27 I28 Q29 T33 R34 M37 S129 V132 I136	G27-V31 WeakPolarHBondContact O-CG2 3.4Å; G27-V31 PolarHBondContact O-N 3.14Å; G27-V31 VanDerWaalsContact O-N 3.11Å; I28-V31 WeakPolarHBondContact O-CB 3.25Å; I28-V31 PolarHBondContact O-N 3.31Å; I28-V31 VanDerWaalsContact O-N 3.1Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.1Å; V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 PolarHBondContact O-N 2.87Å; V31-R34 PolarHBondContact O-N 2.82Å; V31-R34 VanDerWaalsContact O-N 3.13Å; V31-M37 HydrophobicContact CG2-CE 3.62Å; V31-M37 HydrophobicContact CG2-SD 4.36Å; V31-S129 PolarHBondContact O-OG 3.43Å; V31-V132 HydrophobicContact CG1-CB 3.79Å; V31-V132 HydrophobicContact CG1-CG1 3.81Å; V31-V132 HydrophobicContact CG2-CG1 3.95Å; V31-I136 HydrophobicContact CG2-CD1 4.17Å
32	Y	92.3	Very high	89.6	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-22.4	-178.1	-81.2	-93.3	0	0	0	113.9	I28 Q29 R34 F95 L96 Y99 Y126 S130 L133	I28-Y32 HydrophobicContact CG2-CD2 3.72Å; I28-Y32 HydrophobicContact CG2-CE2 3.82Å; I28-Y32 WeakPolarHBondContact O-CD2 3.32Å; I28-Y32 PolarHBondContact O-N 3.01Å; Q29-Y32 PolarHBondContact O-N 3.06Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; Y32-F95 AromaticContact CD2-CE1 3.99Å; Y32-F95 HydrophobicContact CD2-CE1 3.99Å; Y32-F95 HydrophobicContact CE2-CE1 4.33Å; Y32-F95 HydrophobicContact CG-CE1 4.39Å; Y32-L96 HydrophobicContact CE1-CD2 4.08Å; Y32-L96 HydrophobicContact CE2-CD2 4.15Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.15Å; Y32-Y99 HydrophobicContact CD1-CD1 4.03Å; Y32-Y99 AromaticContact CD1-CE1 3.82Å; Y32-Y99 HydrophobicContact CD1-CE1 3.82Å; Y32-Y99 HydrophobicContact CD1-CE2 4.38Å; Y32-Y99 HydrophobicContact CD1-CG 4.43Å; Y32-Y99 HydrophobicContact CG-CE2 4.5Å; Y32-Y99 PolarHBondContact O-OH 3.29Å; Y32-Y126 HydrophobicContact CD1-CD2 4.05Å; Y32-Y126 HydrophobicContact CD1-CE2 4.31Å; Y32-Y126 AromaticContact CE1-CD2 3.49Å; Y32-Y126 HydrophobicContact CE1-CD2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CD2 3.49Å; Y32-Y126 AromaticContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CE2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CG 4.4Å; Y32-S130 WeakPolarHBondContact OH-CA 3.4Å; Y32-S130 PolarHBondContact OH-OG 3.44Å; Y32-L133 HydrophobicContact CE2-CB 4.25Å; Y32-L133 HydrophobicContact CE2-CD2 3.96Å
33	T	88.6	Confident	89.8	Confident	64 Å²	64	66 Å²	66	39%	0.393	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.4	171.6	55.8	0	0	0	0	113.3	Q29 Q30 V31 Q35	Q29-T33 HydrophobicContact CG-CG2 4.35Å; Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 WeakPolarHBondContact O-CG2 3.43Å; Q29-T33 PolarHBondContact O-N 3.39Å; Q29-T33 PolarHBondContact O-OG1 2.77Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.28Å; Q30-T33 PolarHBondContact O-N 3.44Å; Q30-T33 PolarHBondContact O-OG1 3.42Å; V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 PolarHBondContact O-N 2.87Å; T33-Q35 PolarHBondContact O-N 3.4Å
34	R	83.7	Confident	89.9	Confident	147 Å²	147	67.8 Å²	67.8	56%	0.555	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	27.8	175.7	-63.7	-97	-60	-167.1	1.4	114	Q30 V31 Y32 D125	Q30-R34 PolarHBondContact O-N 3Å; V31-R34 PolarHBondContact O-N 2.82Å; V31-R34 VanDerWaalsContact O-N 3.13Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; R34-D125 WeakPolarHBondContact CD-OD1 3.49Å; R34-D125 IonicContact CZ-OD1 3.88Å; R34-D125 IonicContact NE-OD1 3.15Å; R34-D125 PolarHBondContact NE-OD1 2.96Å; R34-D125 IonicContact NH1-OD1 2.72Å; R34-D125 PolarHBondContact NH1-OD1 2.85Å
35	Q	86	Confident	89.9	Confident	115 Å²	115	67.8 Å²	67.8	54%	0.537	35%	0.347	S	S	.	.			trans	-73	139.6	173	-64.1	-175.9	5.9	0	0	109.9	Q30 T33 M37	Q30-Q35 HydrophobicContact CB-CB 4.28Å; Q30-Q35 PolarHBondContact O-N 3.48Å; T33-Q35 PolarHBondContact O-N 3.4Å; Q35-M37 PolarHBondContact O-N 3.42Å
36	S	83.6	Confident	90	Very high	125 Å²	125	65.3 Å²	65.3	87%	0.874	34%	0.339	S	S	*	.			trans	-63.9	123.4	179	60	0	0	0	0	110.5
37	M	86.9	Confident	89.9	Confident	52 Å²	52	66.2 Å²	66.2	26%	0.256	34%	0.339	S	S	.	.			trans	-108.8	123.9	179.3	-173	175.7	-71.4	0	0	110.8	G27 Q30 V31 Q35 R41 L45	G27-M37 WeakPolarHBondContact O-CE 3.48Å; Q30-M37 HydrophobicContact CB-CE 4.13Å; V31-M37 HydrophobicContact CG2-CE 3.62Å; V31-M37 HydrophobicContact CG2-SD 4.36Å; Q35-M37 PolarHBondContact O-N 3.42Å; M37-R41 HydrophobicContact CE-CG 4.37Å; M37-R41 HydrophobicContact CG-CB 3.83Å; M37-R41 HydrophobicContact CG-CG 3.83Å; M37-R41 HydrophobicContact SD-CG 4.16Å; M37-L45 HydrophobicContact CE-CD1 3.59Å; M37-L45 HydrophobicContact SD-CD1 3.76Å
38	A	88.9	Confident	89.8	Confident	59 Å²	59	68.2 Å²	68.2	49%	0.488	35%	0.349	S	S	.	.			trans	-67.6	149.9	173.9	0	0	0	0	0	111.2	S40 R41 Y42	A38-S40 PolarHBondContact O-N 2.82Å; A38-R41 WeakPolarHBondContact O-CB 3.36Å; A38-R41 PolarHBondContact O-N 3.09Å; A38-Y42 PolarHBondContact O-N 3.16Å
39	K	89.6	Confident	89.6	Confident	166 Å²	166	68.2 Å²	68.2	72%	0.722	35%	0.349	S	S	*	.	H	α-helix	trans	-55.7	-35.3	178.3	-174.1	179.3	179.6	-178.6	0	112.9	M43	K39-M43 WeakPolarHBondContact O-CG 3.35Å; K39-M43 PolarHBondContact O-N 2.97Å
40	S	91	Very high	89.4	Confident	92 Å²	92	69 Å²	69	64%	0.643	35%	0.349	S	S	*	.	H	α-helix	trans	-60.6	-46.5	174.8	48.5	0	0	0	0	111.7	A38 M43 E44	A38-S40 PolarHBondContact O-N 2.82Å; S40-M43 PolarHBondContact O-N 3.47Å; S40-E44 PolarHBondContact O-N 3.47Å
41	R	91.9	Very high	89.2	Confident	39 Å²	39	68 Å²	68	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-41.4	178.8	-176.5	58.1	176.3	166.6	5.1	112.2	D23 M37 A38 M43 E44 L45	D23-R41 PolarHBondContact O-NH2 2.88Å; D23-R41 IonicContact OD1-CZ 3.84Å; D23-R41 IonicContact OD1-NH1 3.18Å; D23-R41 PolarHBondContact OD1-NH1 3.18Å; D23-R41 IonicContact OD1-NH2 3.87Å; D23-R41 PolarHBondContact OD1-NH2 3.17Å; D23-R41 IonicContact OD2-CZ 3.35Å; D23-R41 VanDerWaalsContact OD2-CZ 3.22Å; D23-R41 IonicContact OD2-NH1 2.8Å; D23-R41 PolarHBondContact OD2-NH1 3.26Å; D23-R41 IonicContact OD2-NH2 3.22Å; D23-R41 PolarHBondContact OD2-NH2 3.24Å; M37-R41 HydrophobicContact CE-CG 4.37Å; M37-R41 HydrophobicContact CG-CB 3.83Å; M37-R41 HydrophobicContact CG-CG 3.83Å; M37-R41 HydrophobicContact SD-CG 4.16Å; A38-R41 WeakPolarHBondContact O-CB 3.36Å; A38-R41 PolarHBondContact O-N 3.09Å; R41-M43 VanDerWaalsContact C-N 3.31Å; R41-M43 PolarHBondContact O-N 3.13Å; R41-E44 VanDerWaalsContact CD-OE2 3.25Å; R41-E44 WeakPolarHBondContact CD-OE2 3.43Å; R41-E44 IonicContact CZ-OE2 2.67Å; R41-E44 IonicContact NE-OE2 3.7Å; R41-E44 VanDerWaalsContact NH1-CD 3.26Å; R41-E44 IonicContact NH1-OE1 3.75Å; R41-E44 IonicContact NH1-OE2 2.77Å; R41-E44 PolarHBondContact NH1-OE2 3.34Å; R41-E44 WeakPolarHBondContact O-CB 3.19Å; R41-E44 PolarHBondContact O-N 3.34Å; R41-L45 WeakPolarHBondContact O-CG 3.37Å; R41-L45 PolarHBondContact O-N 3.05Å
42	Y	92	Very high	88.9	Confident	64 Å²	64	67.9 Å²	67.9	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-45.3	173.4	175.8	-87	0	0	0	111.7	A38 E44 L45 Y46 V132 G135 I136	A38-Y42 PolarHBondContact O-N 3.16Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.68Å; Y42-L45 PolarHBondContact O-N 3.11Å; Y42-Y46 PolarHBondContact O-N 3.31Å; Y42-V132 HydrophobicContact CD2-CG1 4.38Å; Y42-V132 HydrophobicContact CE2-CG1 4.19Å; Y42-G135 WeakPolarHBondContact OH-CA 3.36Å; Y42-G135 PolarHBondContact OH-O 2.97Å; Y42-I136 HydrophobicContact CD2-CD1 4.36Å; Y42-I136 HydrophobicContact CD2-CG1 3.84Å; Y42-I136 HydrophobicContact CE2-CD1 4.39Å; Y42-I136 HydrophobicContact CE2-CG1 3.52Å; Y42-I136 PolarHBondContact OH-N 3.2Å
43	M	91.8	Very high	88.5	Confident	89 Å²	89	68.6 Å²	68.6	44%	0.438	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-34.8	178.5	-72.5	-55.6	177.4	0	0	112.5	K39 S40 R41 Y46 T47	K39-M43 WeakPolarHBondContact O-CG 3.35Å; K39-M43 PolarHBondContact O-N 2.97Å; S40-M43 PolarHBondContact O-N 3.47Å; R41-M43 VanDerWaalsContact C-N 3.31Å; R41-M43 PolarHBondContact O-N 3.13Å; M43-Y46 PolarHBondContact O-N 3.5Å; M43-T47 VanDerWaalsContact O-CB 3.32Å; M43-T47 WeakPolarHBondContact O-CB 3.44Å; M43-T47 PolarHBondContact O-N 3.22Å; M43-T47 PolarHBondContact O-OG1 3.26Å
44	E	91.7	Very high	88.2	Confident	92 Å²	92	66.6 Å²	66.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-49.4	173	-173.9	177.5	-152.3	0	0	111.5	S40 R41 Y42 Y46 T47 H48	S40-E44 PolarHBondContact O-N 3.47Å; R41-E44 VanDerWaalsContact CD-OE2 3.25Å; R41-E44 WeakPolarHBondContact CD-OE2 3.43Å; R41-E44 IonicContact CZ-OE2 2.67Å; R41-E44 IonicContact NE-OE2 3.7Å; R41-E44 VanDerWaalsContact NH1-CD 3.26Å; R41-E44 IonicContact NH1-OE1 3.75Å; R41-E44 IonicContact NH1-OE2 2.77Å; R41-E44 PolarHBondContact NH1-OE2 3.34Å; R41-E44 WeakPolarHBondContact O-CB 3.19Å; R41-E44 PolarHBondContact O-N 3.34Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.68Å; E44-Y46 PolarHBondContact O-N 2.86Å; E44-T47 CarbonylContact O-C 3.56Å; E44-T47 PolarHBondContact O-N 3.45Å; E44-T47 VanDerWaalsContact O-N 3.16Å; E44-H48 PolarHBondContact O-CD2 2.73Å; E44-H48 PolarHBondContact O-N 3.36Å
45	L	91.3	Very high	87.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-42.5	176.5	-63	174.5	0	0	0	112.2	L24 M37 R41 Y42 H48 V49 I136	L24-L45 HydrophobicContact CD1-CB 4.34Å; L24-L45 HydrophobicContact CD1-CD2 4.1Å; M37-L45 HydrophobicContact CE-CD1 3.59Å; M37-L45 HydrophobicContact SD-CD1 3.76Å; R41-L45 WeakPolarHBondContact O-CG 3.37Å; R41-L45 PolarHBondContact O-N 3.05Å; Y42-L45 PolarHBondContact O-N 3.11Å; L45-H48 WeakPolarHBondContact O-CB 3.47Å; L45-H48 PolarHBondContact O-N 3.25Å; L45-V49 PolarHBondContact O-N 3.42Å; L45-V49 VanDerWaalsContact O-N 3.14Å; L45-I136 HydrophobicContact CB-CD1 4.44Å; L45-I136 HydrophobicContact CB-CG2 3.87Å; L45-I136 HydrophobicContact CD1-CD1 3.97Å
46	Y	91.5	Very high	86.4	Confident	72 Å²	72	56.6 Å²	56.6	28%	0.282	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.2	179.6	-88.4	0	0	0	111.6	Y42 M43 E44 H48 V49 Y50 I136 A138	Y42-Y46 PolarHBondContact O-N 3.31Å; M43-Y46 PolarHBondContact O-N 3.5Å; E44-Y46 PolarHBondContact O-N 2.86Å; Y46-H48 VanDerWaalsContact C-N 3.34Å; Y46-H48 PolarHBondContact O-N 2.98Å; Y46-V49 PolarHBondContact O-N 3.32Å; Y46-Y50 WeakPolarHBondContact O-CB 3.04Å; Y46-Y50 PolarHBondContact O-N 2.96Å; Y46-I136 WeakPolarHBondContact CD2-O 3.4Å; Y46-A138 HydrophobicContact CE2-CB 4.19Å
47	T	89.8	Confident	84.8	Confident	63 Å²	63	56.4 Å²	56.4	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-35.5	177.5	-66.3	0	0	0	0	111.7	M43 E44 Y50 N51	M43-T47 VanDerWaalsContact O-CB 3.32Å; M43-T47 WeakPolarHBondContact O-CB 3.44Å; M43-T47 PolarHBondContact O-N 3.22Å; M43-T47 PolarHBondContact O-OG1 3.26Å; E44-T47 CarbonylContact O-C 3.56Å; E44-T47 PolarHBondContact O-N 3.45Å; E44-T47 VanDerWaalsContact O-N 3.16Å; T47-Y50 PolarHBondContact O-N 3.1Å; T47-N51 WeakPolarHBondContact CG2-ND2 3.49Å; T47-N51 VanDerWaalsContact O-CB 3.27Å; T47-N51 WeakPolarHBondContact O-CB 3.37Å; T47-N51 VanDerWaalsContact O-CG 3.22Å; T47-N51 PolarHBondContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.37Å
48	H	88.6	Confident	82.8	Confident	43 Å²	43	60 Å²	60	20%	0.199	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-50	171.7	-78.2	-63.3	0	0	0	111.6	I20 D23 E44 L45 Y46 Y50 N51 Y52	I20-H48 HydrophobicContact CD1-CB 4.47Å; D23-H48 IonicContact OD2-CD2 2.88Å; D23-H48 IonicContact OD2-NE2 3.89Å; E44-H48 PolarHBondContact O-CD2 2.73Å; E44-H48 PolarHBondContact O-N 3.36Å; L45-H48 WeakPolarHBondContact O-CB 3.47Å; L45-H48 PolarHBondContact O-N 3.25Å; Y46-H48 VanDerWaalsContact C-N 3.34Å; Y46-H48 PolarHBondContact O-N 2.98Å; H48-Y50 VanDerWaalsContact C-N 3.35Å; H48-Y50 PolarHBondContact O-N 2.82Å; H48-N51 PolarHBondContact O-N 3.31Å; H48-Y52 VanDerWaalsContact O-CB 3.32Å; H48-Y52 WeakPolarHBondContact O-CB 3.15Å; H48-Y52 PolarHBondContact O-N 2.83Å
49	V	88.4	Confident	80.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-44.7	177.2	176.9	0	0	0	0	110.9	L24 L45 Y46 C53 L88 I136 L140	L24-V49 HydrophobicContact CD1-CG2 3.98Å; L24-V49 HydrophobicContact CD2-CG2 4.04Å; L45-V49 PolarHBondContact O-N 3.42Å; L45-V49 VanDerWaalsContact O-N 3.14Å; Y46-V49 PolarHBondContact O-N 3.32Å; V49-C53 WeakPolarHBondContact O-CB 3.39Å; V49-C53 PolarHBondContact O-N 3.44Å; V49-C53 PolarHBondContact O-SG 3.19Å; V49-L88 HydrophobicContact CG1-CD2 4Å; V49-L88 HydrophobicContact CG2-CD2 4.47Å; V49-I136 HydrophobicContact CG2-CG2 4.16Å; V49-L140 HydrophobicContact CG1-CB 4.17Å
50	Y	88	Confident	78.3	Confident	96 Å²	96	61.1 Å²	61.1	38%	0.376	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-52.7	177.3	173.4	-93.9	0	0	0	112.5	Y46 T47 H48 Y52 C53 T54 Y139	Y46-Y50 WeakPolarHBondContact O-CB 3.04Å; Y46-Y50 PolarHBondContact O-N 2.96Å; T47-Y50 PolarHBondContact O-N 3.1Å; H48-Y50 VanDerWaalsContact C-N 3.35Å; H48-Y50 PolarHBondContact O-N 2.82Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 2.72Å; Y50-C53 PolarHBondContact O-N 2.76Å; Y50-T54 HydrophobicContact CD2-CG2 4.28Å; Y50-T54 HydrophobicContact CE1-CG2 4.26Å; Y50-T54 HydrophobicContact CE2-CG2 3.88Å; Y50-T54 WeakPolarHBondContact O-CB 3.48Å; Y50-T54 WeakPolarHBondContact O-CG2 3.43Å; Y50-T54 PolarHBondContact O-N 3.49Å; Y50-T54 PolarHBondContact O-OG1 3.14Å; Y50-Y139 HydrophobicContact CD2-CD1 4.23Å; Y50-Y139 AromaticContact CD2-CD2 3.43Å; Y50-Y139 HydrophobicContact CD2-CD2 3.43Å; Y50-Y139 VanDerWaalsContact CD2-CD2 3.43Å; Y50-Y139 HydrophobicContact CD2-CE1 4.3Å; Y50-Y139 AromaticContact CD2-CE2 3.49Å; Y50-Y139 HydrophobicContact CD2-CE2 3.49Å; Y50-Y139 VanDerWaalsContact CD2-CE2 3.49Å; Y50-Y139 AromaticContact CD2-CG 3.81Å; Y50-Y139 HydrophobicContact CD2-CG 3.81Å; Y50-Y139 AromaticContact CD2-CZ 3.94Å; Y50-Y139 AromaticContact CE2-CD2 3.86Å; Y50-Y139 HydrophobicContact CE2-CD2 3.86Å; Y50-Y139 AromaticContact CE2-CE2 3.44Å; Y50-Y139 HydrophobicContact CE2-CE2 3.44Å; Y50-Y139 VanDerWaalsContact CE2-CE2 3.44Å; Y50-Y139 AromaticContact CE2-CZ 3.88Å
51	N	86.1	Confident	75.8	Confident	34 Å²	34	66.1 Å²	66.1	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-41.6	-178.3	-74.6	-18.2	0	0	0	110.8	I15 T47 H48 T54 S55	I15-N51 HydrophobicContact CD1-CB 3.98Å; T47-N51 WeakPolarHBondContact CG2-ND2 3.49Å; T47-N51 VanDerWaalsContact O-CB 3.27Å; T47-N51 WeakPolarHBondContact O-CB 3.37Å; T47-N51 VanDerWaalsContact O-CG 3.22Å; T47-N51 PolarHBondContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.37Å; H48-N51 PolarHBondContact O-N 3.31Å; N51-T54 WeakPolarHBondContact CA-OG1 3.3Å; N51-T54 PolarHBondContact O-N 2.88Å; N51-T54 PolarHBondContact O-OG1 3.28Å; N51-S55 VanDerWaalsContact O-CB 3.27Å; N51-S55 WeakPolarHBondContact O-CB 3.41Å; N51-S55 PolarHBondContact O-N 2.76Å
52	Y	84.8	Confident	73.2	Confident	11 Å²	11	68.5 Å²	68.5	4%	0.043	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-51.5	176.1	-174.5	-114.3	0	0	0	111.6	L17 I20 H48 Y50 T54 S55 V84 L88	L17-Y52 HydrophobicContact CB-CE1 4.4Å; L17-Y52 HydrophobicContact CB-CE2 3.66Å; L17-Y52 WeakPolarHBondContact CB-OH 3.25Å; L17-Y52 HydrophobicContact CD1-CD1 4.03Å; L17-Y52 HydrophobicContact CD1-CD2 4.37Å; L17-Y52 HydrophobicContact CD1-CE1 3.68Å; L17-Y52 HydrophobicContact CD1-CE2 4.09Å; L17-Y52 HydrophobicContact CD1-CG 4.37Å; L17-Y52 HydrophobicContact CD2-CE1 4.49Å; L17-Y52 HydrophobicContact CG-CE1 4.39Å; L17-Y52 HydrophobicContact CG-CE2 4.42Å; I20-Y52 VanDerWaalsContact CD1-CB 3.48Å; I20-Y52 HydrophobicContact CD1-CD2 3.95Å; I20-Y52 HydrophobicContact CD1-CG 3.73Å; H48-Y52 VanDerWaalsContact O-CB 3.32Å; H48-Y52 WeakPolarHBondContact O-CB 3.15Å; H48-Y52 PolarHBondContact O-N 2.83Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 2.72Å; Y52-T54 PolarHBondContact O-N 3.42Å; Y52-S55 PolarHBondContact O-N 2.96Å; Y52-S55 PolarHBondContact O-OG 3.31Å; Y52-V84 HydrophobicContact CD1-CG1 3.57Å; Y52-V84 HydrophobicContact CD2-CG1 4.27Å; Y52-V84 HydrophobicContact CE1-CB 4.19Å; Y52-V84 HydrophobicContact CE1-CG1 3.27Å; Y52-V84 VanDerWaalsContact CE1-O 3.25Å; Y52-V84 WeakPolarHBondContact CE1-O 3.48Å; Y52-V84 HydrophobicContact CE2-CG1 4Å; Y52-V84 HydrophobicContact CG-CG1 4.05Å; Y52-V84 VanDerWaalsContact CZ-CG1 3.48Å; Y52-V84 VanDerWaalsContact O-CG1 3.29Å; Y52-V84 WeakPolarHBondContact O-CG1 3.25Å; Y52-L88 HydrophobicContact CD1-CB 4.21Å; Y52-L88 HydrophobicContact CD1-CD2 4.09Å; Y52-L88 HydrophobicContact CE1-CB 3.85Å
53	C	84	Confident	70.6	Confident	17 Å²	17	77.4 Å²	77.4	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-25.2	179.7	-65.2	0	0	0	0	113.6	V49 Y50 Y139	V49-C53 WeakPolarHBondContact O-CB 3.39Å; V49-C53 PolarHBondContact O-N 3.44Å; V49-C53 PolarHBondContact O-SG 3.19Å; Y50-C53 PolarHBondContact O-N 2.76Å; C53-Y139 HydrophobicContact CB-CD1 3.52Å; C53-Y139 HydrophobicContact CB-CE1 3.54Å
54	T	82	Confident	67.8	Low	22 Å²	22	76.8 Å²	76.8	14%	0.135	41%	0.405	C	S	.	.	H	α-helix	trans	-96.7	-17.1	-179.6	51.7	0	0	0	0	114.5	Y50 N51 Y52 V56 H57 Y139	Y50-T54 HydrophobicContact CD2-CG2 4.28Å; Y50-T54 HydrophobicContact CE1-CG2 4.26Å; Y50-T54 HydrophobicContact CE2-CG2 3.88Å; Y50-T54 WeakPolarHBondContact O-CB 3.48Å; Y50-T54 WeakPolarHBondContact O-CG2 3.43Å; Y50-T54 PolarHBondContact O-N 3.49Å; Y50-T54 PolarHBondContact O-OG1 3.14Å; N51-T54 WeakPolarHBondContact CA-OG1 3.3Å; N51-T54 PolarHBondContact O-N 2.88Å; N51-T54 PolarHBondContact O-OG1 3.28Å; Y52-T54 PolarHBondContact O-N 3.42Å; T54-V56 PolarHBondContact O-N 3.12Å; T54-H57 PolarHBondContact O-N 3Å; T54-Y139 HydrophobicContact CG2-CE1 3.8Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.15Å
55	S	73.2	Confident	65	Low	22 Å²	22	77.8 Å²	77.8	15%	0.154	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.1	-175.4	65.2	0	0	0	0	115	N51 Y52	N51-S55 VanDerWaalsContact O-CB 3.27Å; N51-S55 WeakPolarHBondContact O-CB 3.41Å; N51-S55 PolarHBondContact O-N 2.76Å; Y52-S55 PolarHBondContact O-N 2.96Å; Y52-S55 PolarHBondContact O-OG 3.31Å
56	V	59.2	Low	62.2	Low	30 Å²	30	81 Å²	81	18%	0.182	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-12.6	-178.8	-161	0	0	0	0	113.6	T54 Q58 V84	T54-V56 PolarHBondContact O-N 3.12Å; V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 3.24Å; V56-V84 HydrophobicContact CG2-CB 3.99Å; V56-V84 HydrophobicContact CG2-CG1 4.31Å; V56-V84 HydrophobicContact CG2-CG2 3.35Å
57	H	50.7	Low	59.8	Low	122 Å²	122	84 Å²	84	57%	0.565	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	-172.9	-85.2	-45.3	0	0	0	115.1	T54	T54-H57 PolarHBondContact O-N 3Å
58	Q	44.7	Very low	57.8	Low	127 Å²	127	86.7 Å²	86.7	59%	0.593	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-10.4	-178.4	-77.6	-171.2	1.2	0	0	115.7	V56 N60	V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 3.24Å; Q58-N60 VanDerWaalsContact C-N 3.31Å; Q58-N60 PolarHBondContact O-N 3.35Å
59	S	42.2	Very low	55.6	Low	92 Å²	92	90.1 Å²	90.1	64%	0.643	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.1	-174.9	62.1	0	0	0	0	115.3
60	N	41.3	Very low	52.9	Low	156 Å²	156	95.4 Å²	95.4	83%	0.834	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	7.1	-174.1	-99.6	16.7	0	0	0	116.1	Q58	Q58-N60 VanDerWaalsContact C-N 3.31Å; Q58-N60 PolarHBondContact O-N 3.35Å
61	Q	39.4	Very low	50.5	Low	198 Å²	198	100.8 Å²	100.8	93%	0.925	60%	0.595	S	S	*	*	S	Bend	trans	-113	7.8	178.5	-93.2	-175.7	24.2	0	0	115.7
62	A	35.8	Very low	48	Very low	89 Å²	89	104.8 Å²	104.8	74%	0.736	63%	0.626	S	S	*	*			trans	-127.4	58.1	-176.7	0	0	0	0	0	114
63	R	38.5	Very low	45.7	Very low	250 Å²	250	114.2 Å²	114.2	94%	0.943	67%	0.667	S	S	*	*			trans	-151.2	109.7	151.8	-77	-159.1	178.1	168.5	-0.6	110.5
64	G	33.1	Very low	43.1	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	71%	0.707	S	S	*	*			trans	-79.3	158	168.4	0	0	0	0	0	112.9
65	A	33.1	Very low	40.8	Very low	113 Å²	113	125.8 Å²	125.8	93%	0.934	73%	0.732	S	S	*	*			trans	56.8	110.5	156.5	0	0	0	0	0	119.3
66	G	32.5	Very low	39.1	Very low	69 Å²	69	133.8 Å²	133.8	71%	0.711	77%	0.767	S	S	*	*			trans	149.4	109.3	151.2	0	0	0	0	0	115.5
67	V	39.5	Very low	38	Very low	134 Å²	134	138.6 Å²	138.6	81%	0.812	80%	0.796	S	S	*	*			trans	82.7	124.8	155.8	-165.6	0	0	0	0	117.8
68	P	48	Very low	37.6	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	79%	0.793	S	S	*	*			trans	-92.3	144.7	165.6	35.9	-27.8	0	0	0	110.6
69	P	42.1	Very low	37.8	Very low	114 Å²	114	132.5 Å²	132.5	74%	0.74	79%	0.787	S	S	*	*			trans	-145	142.3	145.6	29.8	-10.4	0	0	0	115.8
70	S	33	Very low	38.4	Very low	112 Å²	112	130 Å²	130	78%	0.783	78%	0.775	S	S	*	*				60	122.4	128.7	-167.7	0	0	0	0	121	S72	S70-S72 PolarHBondContact O-N 2.79Å
71	K	37.1	Very low	39.2	Very low	209 Å²	209	123.2 Å²	123.2	91%	0.909	74%	0.741	S	S	*	*			trans	-61.7	118.1	168.4	-69.1	173.7	175.6	175.2	0	111.4
72	S	34.5	Very low	40.4	Very low	117 Å²	117	115.9 Å²	115.9	82%	0.818	71%	0.707	S	S	*	*			trans	-153.3	160.1	154	62.9	0	0	0	0	111.4	S70	S70-S72 PolarHBondContact O-N 2.79Å
73	K	35.1	Very low	42	Very low	209 Å²	209	118.1 Å²	118.1	91%	0.909	70%	0.7	S	S	*	*			trans	-62.6	143.7	-152.6	-75.1	166.7	169.2	173.2	0	115.9	G75	K73-G75 PolarHBondContact O-N 3.06Å
74	K	30.5	Very low	43.8	Very low	219 Å²	219	107 Å²	107	95%	0.952	66%	0.66	S	S	*	*			trans	-50	105.5	174.5	-73.3	175.3	171.5	179.4	0	113.1
75	G	32.3	Very low	46.2	Very low	64 Å²	64	103.5 Å²	103.5	66%	0.66	62%	0.624	S	S	*	*			trans	-130.7	107.2	149.5	0	0	0	0	0	106.6	K73 T77	K73-G75 PolarHBondContact O-N 3.06Å; G75-T77 PolarHBondContact O-N 2.95Å; G75-T77 VanDerWaalsContact O-N 3.15Å
76	Q	37.8	Very low	48.7	Very low	190 Å²	190	100.6 Å²	100.6	89%	0.888	59%	0.592	S	S	*	*			trans	-68.3	108.1	179.5	-92.8	172.1	-28.8	0	0	109.4
77	T	36.1	Very low	51.2	Low	131 Å²	131	99.9 Å²	99.9	80%	0.804	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-64.9	127.3	163.2	-25.8	0	0	0	0	107.9	G75 G79	G75-T77 PolarHBondContact O-N 2.95Å; G75-T77 VanDerWaalsContact O-N 3.15Å; T77-G79 PolarHBondContact O-N 3.38Å; T77-G79 VanDerWaalsContact O-N 3.14Å
78	P	43.5	Very low	53.6	Low	75 Å²	75	93.5 Å²	93.5	49%	0.487	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-66.4	118.9	-175.2	8.4	-4.4	0	0	0	109.5	Q82	P78-Q82 HydrophobicContact CB-CB 4.06Å; P78-Q82 HydrophobicContact CB-CG 4.08Å; P78-Q82 VanDerWaalsContact CB-OE1 3.27Å
79	G	47.6	Very low	55.6	Low	46 Å²	46	88.2 Å²	88.2	47%	0.474	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-59.1	145.4	174.9	0	0	0	0	0	109.9	T77 A81 Q82	T77-G79 PolarHBondContact O-N 3.38Å; T77-G79 VanDerWaalsContact O-N 3.14Å; G79-A81 PolarHBondContact O-N 3.24Å; G79-Q82 WeakPolarHBondContact O-CA 3.26Å; G79-Q82 WeakPolarHBondContact O-CB 3.38Å; G79-Q82 PolarHBondContact O-N 3.41Å
80	G	56.4	Low	58	Low	38 Å²	38	88.2 Å²	88.2	39%	0.392	49%	0.485	S	S	.	.	H	α-helix	trans	-55.6	-23.2	-169	0	0	0	0	0	116	Q82 F83 V84	G80-Q82 VanDerWaalsContact C-N 3.28Å; G80-Q82 PolarHBondContact O-N 3.38Å; G80-F83 PolarHBondContact O-N 2.81Å; G80-V84 PolarHBondContact O-N 2.95Å
81	A	57.9	Low	60.7	Low	15 Å²	15	85.3 Å²	85.3	12%	0.124	46%	0.457	C	S	.	.	H	α-helix	trans	-66.2	-26.5	171.5	0	0	0	0	0	113.8	G79 G85	G79-A81 PolarHBondContact O-N 3.24Å; A81-G85 PolarHBondContact O-N 2.88Å
82	Q	63.2	Low	63.4	Low	44 Å²	44	75.4 Å²	75.4	21%	0.206	41%	0.414	C	S	.	.	H	α-helix	trans	-74.1	-39.1	177	-165.8	174	-8.2	0	0	111.5	P78 G79 G80 L86 W144 E148	P78-Q82 HydrophobicContact CB-CB 4.06Å; P78-Q82 HydrophobicContact CB-CG 4.08Å; P78-Q82 VanDerWaalsContact CB-OE1 3.27Å; G79-Q82 WeakPolarHBondContact O-CA 3.26Å; G79-Q82 WeakPolarHBondContact O-CB 3.38Å; G79-Q82 PolarHBondContact O-N 3.41Å; G80-Q82 VanDerWaalsContact C-N 3.28Å; G80-Q82 PolarHBondContact O-N 3.38Å; Q82-L86 WeakPolarHBondContact O-CB 3.45Å; Q82-L86 PolarHBondContact O-N 3.25Å; Q82-W144 PolarHBondContact O-NE1 2.9Å; Q82-E148 WeakPolarHBondContact CG-OE1 3.41Å
83	F	70	Confident	66.2	Low	135 Å²	135	74.4 Å²	74.4	59%	0.592	40%	0.395	S	S	*	.	H	α-helix	trans	-68.5	-43.9	178.2	-169.8	-94	0	0	0	112	G80 L86 E87	G80-F83 PolarHBondContact O-N 2.81Å; F83-L86 PolarHBondContact O-N 2.73Å; F83-E87 PolarHBondContact O-N 3.13Å; F83-E87 VanDerWaalsContact O-N 3.08Å
84	V	76.6	Confident	69	Low	17 Å²	17	70.2 Å²	70.2	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-46.9	-179.5	163.6	0	0	0	0	112	Y52 V56 G80 L86 L88	Y52-V84 HydrophobicContact CD1-CG1 3.57Å; Y52-V84 HydrophobicContact CD2-CG1 4.27Å; Y52-V84 HydrophobicContact CE1-CB 4.19Å; Y52-V84 HydrophobicContact CE1-CG1 3.27Å; Y52-V84 VanDerWaalsContact CE1-O 3.25Å; Y52-V84 WeakPolarHBondContact CE1-O 3.48Å; Y52-V84 HydrophobicContact CE2-CG1 4Å; Y52-V84 HydrophobicContact CG-CG1 4.05Å; Y52-V84 VanDerWaalsContact CZ-CG1 3.48Å; Y52-V84 VanDerWaalsContact O-CG1 3.29Å; Y52-V84 WeakPolarHBondContact O-CG1 3.25Å; V56-V84 HydrophobicContact CG2-CB 3.99Å; V56-V84 HydrophobicContact CG2-CG1 4.31Å; V56-V84 HydrophobicContact CG2-CG2 3.35Å; G80-V84 PolarHBondContact O-N 2.95Å; V84-L86 PolarHBondContact O-N 3.44Å; V84-L88 PolarHBondContact O-N 3.48Å
85	G	82.7	Confident	72	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.3	0	0	0	0	0	113.4	A81 Y89	A81-G85 PolarHBondContact O-N 2.88Å; G85-Y89 WeakPolarHBondContact O-CB 3.29Å; G85-Y89 PolarHBondContact O-N 2.94Å
86	L	85.4	Confident	75	Confident	52 Å²	52	57.5 Å²	57.5	27%	0.272	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-42.9	179.7	-177.5	63.8	0	0	0	112.4	Q82 F83 V84 Y89 K90 W144	Q82-L86 WeakPolarHBondContact O-CB 3.45Å; Q82-L86 PolarHBondContact O-N 3.25Å; F83-L86 PolarHBondContact O-N 2.73Å; V84-L86 PolarHBondContact O-N 3.44Å; L86-Y89 PolarHBondContact O-N 3.33Å; L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.49Å; L86-K90 PolarHBondContact O-N 3.32Å; L86-W144 HydrophobicContact CB-CH2 4.38Å; L86-W144 HydrophobicContact CB-CZ2 3.65Å; L86-W144 HydrophobicContact CD1-CH2 3.98Å; L86-W144 HydrophobicContact CD1-CZ2 3.86Å; L86-W144 HydrophobicContact CG-CZ2 4.37Å; L86-W144 VanDerWaalsContact N-CE2 3.32Å; L86-W144 VanDerWaalsContact N-CZ2 3.34Å
87	E	86.7	Confident	77.7	Confident	55 Å²	55	54.1 Å²	54.1	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-45.3	-178.3	-172.6	61.1	-160.5	0	0	111.4	L17 F83 Y89 K90 R91	L17-E87 HydrophobicContact CD2-CB 4.21Å; L17-E87 HydrophobicContact CD2-CG 3.54Å; F83-E87 PolarHBondContact O-N 3.13Å; F83-E87 VanDerWaalsContact O-N 3.08Å; E87-Y89 PolarHBondContact O-N 3.29Å; E87-K90 PolarHBondContact O-N 3.5Å; E87-R91 PolarHBondContact O-N 3.06Å; E87-R91 VanDerWaalsContact O-N 3.09Å; E87-R91 IonicContact OE1-CZ 3.19Å; E87-R91 IonicContact OE1-NE 3.35Å; E87-R91 IonicContact OE1-NH2 2.76Å
88	L	88.7	Confident	80.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-44.7	174.6	176.2	61.3	0	0	0	111.5	L17 W21 L24 V49 Y52 V84 K90 R91 L92 L140	L17-L88 HydrophobicContact CD1-CB 4.4Å; L17-L88 HydrophobicContact CD1-CD1 3.99Å; W21-L88 HydrophobicContact CE3-CD1 4.01Å; W21-L88 HydrophobicContact CZ3-CD1 3.69Å; L24-L88 HydrophobicContact CD2-CD1 3.73Å; V49-L88 HydrophobicContact CG1-CD2 4Å; V49-L88 HydrophobicContact CG2-CD2 4.47Å; Y52-L88 HydrophobicContact CD1-CB 4.21Å; Y52-L88 HydrophobicContact CD1-CD2 4.09Å; Y52-L88 HydrophobicContact CE1-CB 3.85Å; V84-L88 PolarHBondContact O-N 3.48Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.09Å; L88-R91 PolarHBondContact O-N 3.48Å; L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CG 4.17Å; L88-L92 HydrophobicContact CG-CD1 4.03Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.12Å; L88-L140 HydrophobicContact CD2-CD1 4.4Å; L88-L140 HydrophobicContact CD2-CD2 4.08Å; L88-L140 HydrophobicContact CG-CD2 4.24Å
89	Y	91.4	Very high	82.9	Confident	8 Å²	8	50.4 Å²	50.4	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-41.8	178.3	-174.6	-93.4	0	0	0	112.5	G85 L86 E87 L92 K93 W144 V145 I156 Y157 I159 L162	G85-Y89 WeakPolarHBondContact O-CB 3.29Å; G85-Y89 PolarHBondContact O-N 2.94Å; L86-Y89 PolarHBondContact O-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.29Å; Y89-L92 PolarHBondContact O-N 3.41Å; Y89-K93 WeakPolarHBondContact O-CB 3.25Å; Y89-K93 PolarHBondContact O-N 3.48Å; Y89-W144 VanDerWaalsContact CB-CZ3 3.48Å; Y89-W144 HydrophobicContact CD1-CH2 4.19Å; Y89-W144 HydrophobicContact CD1-CZ3 4.19Å; Y89-W144 HydrophobicContact CD2-CH2 4.46Å; Y89-W144 AromaticContact CD2-CZ3 3.66Å; Y89-W144 HydrophobicContact CD2-CZ3 3.66Å; Y89-W144 HydrophobicContact CE2-CZ3 4.41Å; Y89-W144 AromaticContact CG-CH2 3.9Å; Y89-W144 HydrophobicContact CG-CH2 3.9Å; Y89-W144 AromaticContact CG-CZ3 3.51Å; Y89-W144 HydrophobicContact CG-CZ3 3.51Å; Y89-V145 HydrophobicContact CD2-CG2 4.35Å; Y89-V145 HydrophobicContact CE2-CG2 4.42Å; Y89-I156 HydrophobicContact CE1-CG2 4.44Å; Y89-I156 HydrophobicContact CE2-CG2 4.39Å; Y89-Y157 VanDerWaalsContact CE2-O 3.23Å; Y89-Y157 WeakPolarHBondContact CE2-O 3.15Å; Y89-Y157 PolarHBondContact OH-N 3.16Å; Y89-Y157 PolarHBondContact OH-O 3.42Å; Y89-I159 HydrophobicContact CD2-CD1 3.69Å; Y89-I159 HydrophobicContact CE2-CD1 3.83Å; Y89-L162 HydrophobicContact CD2-CD2 4.36Å; Y89-L162 HydrophobicContact CE1-CD2 4.29Å; Y89-L162 HydrophobicContact CE2-CD2 3.76Å
90	K	90.7	Very high	85.2	Confident	115 Å²	115	48.2 Å²	48.2	50%	0.5	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-46.3	175.6	-79.6	-179.2	179.2	178.5	0	112.1	L86 E87 L88 L92 K93 E94	L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.49Å; L86-K90 PolarHBondContact O-N 3.32Å; E87-K90 PolarHBondContact O-N 3.5Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.09Å; K90-L92 VanDerWaalsContact C-N 3.35Å; K90-L92 PolarHBondContact O-N 3.37Å; K90-K93 WeakPolarHBondContact O-CB 3.4Å; K90-K93 PolarHBondContact O-N 3.3Å; K90-E94 WeakPolarHBondContact O-CB 3.48Å; K90-E94 PolarHBondContact O-N 3.43Å
91	R	90.9	Very high	86.9	Confident	51 Å²	51	49.2 Å²	49.2	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-36.6	179	-69.1	-161.4	-176.7	168	-3.3	112.8	L17 D18 W21 E87 L88 E94 F95	L17-R91 HydrophobicContact CD2-CG 4.33Å; D18-R91 IonicContact OD1-CZ 2.74Å; D18-R91 IonicContact OD1-NH1 3.68Å; D18-R91 PolarHBondContact OD1-NH1 3.04Å; D18-R91 IonicContact OD1-NH2 3.11Å; D18-R91 PolarHBondContact OD1-NH2 2.67Å; W21-R91 HydrophobicContact CD2-CB 4.25Å; W21-R91 HydrophobicContact CE3-CB 4.21Å; W21-R91 HydrophobicContact CH2-CB 3.48Å; W21-R91 VanDerWaalsContact CH2-CB 3.48Å; W21-R91 HydrophobicContact CZ2-CB 3.51Å; W21-R91 HydrophobicContact CZ2-CG 4.46Å; W21-R91 HydrophobicContact CZ3-CB 3.84Å; E87-R91 PolarHBondContact O-N 3.06Å; E87-R91 VanDerWaalsContact O-N 3.09Å; E87-R91 IonicContact OE1-CZ 3.19Å; E87-R91 IonicContact OE1-NE 3.35Å; E87-R91 IonicContact OE1-NH2 2.76Å; L88-R91 PolarHBondContact O-N 3.48Å; R91-E94 PolarHBondContact O-N 3.16Å; R91-F95 WeakPolarHBondContact O-CB 3.3Å; R91-F95 PolarHBondContact O-N 2.99Å
92	L	93.2	Very high	88.6	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-45.9	171.7	-71	171.8	0	0	0	111.4	W21 I28 L88 Y89 K90 E94 F95 L96 L133 L140 I159	W21-L92 HydrophobicContact CH2-CD2 4.1Å; W21-L92 HydrophobicContact CH2-CG 4.38Å; W21-L92 HydrophobicContact CZ3-CD2 4.12Å; W21-L92 HydrophobicContact CZ3-CG 4.34Å; I28-L92 HydrophobicContact CD1-CD2 3.39Å; L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CG 4.17Å; L88-L92 HydrophobicContact CG-CD1 4.03Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.12Å; Y89-L92 PolarHBondContact O-N 3.41Å; K90-L92 VanDerWaalsContact C-N 3.35Å; K90-L92 PolarHBondContact O-N 3.37Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.97Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L133 HydrophobicContact CD2-CD1 4.23Å; L92-L140 HydrophobicContact CD1-CD2 4.06Å; L92-I159 HydrophobicContact CD1-CD1 3.82Å
93	K	93	Very high	89.9	Confident	96 Å²	96	51.5 Å²	51.5	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-44	175.9	-178.3	169.7	-173.8	174.8	0	112.1	Y89 K90 L96 K97 L162	Y89-K93 WeakPolarHBondContact O-CB 3.25Å; Y89-K93 PolarHBondContact O-N 3.48Å; K90-K93 WeakPolarHBondContact O-CB 3.4Å; K90-K93 PolarHBondContact O-N 3.3Å; K93-L96 PolarHBondContact O-N 3.49Å; K93-K97 WeakPolarHBondContact O-CB 3.45Å; K93-K97 PolarHBondContact O-N 3.31Å; K93-L162 HydrophobicContact CB-CD1 4.27Å; K93-L162 HydrophobicContact CB-CD2 4.03Å; K93-L162 HydrophobicContact CD-CD1 3.95Å; K93-L162 HydrophobicContact CG-CD1 3.96Å
94	E	93.8	Very high	91	Very high	120 Å²	120	46 Å²	46	56%	0.561	22%	0.219	S	C	*	.	H	α-helix	trans	-67.8	-39.3	179.1	-169.2	168.2	-164.1	0	0	112.2	K90 R91 L92 K97 N98	K90-E94 WeakPolarHBondContact O-CB 3.48Å; K90-E94 PolarHBondContact O-N 3.43Å; R91-E94 PolarHBondContact O-N 3.16Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 3.35Å; E94-N98 WeakPolarHBondContact O-CB 3.47Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 3.37Å; E94-N98 PolarHBondContact O-ND2 3Å
95	F	94.8	Very high	91.7	Very high	16 Å²	16	51.6 Å²	51.6	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-51.9	172.3	176.5	-86.2	0	0	0	111.6	R25 I28 Q29 Y32 R91 L92 K97 N98 Y99	R25-F95 HydrophobicContact CG-CD2 4.01Å; R25-F95 HydrophobicContact CG-CE2 4.1Å; I28-F95 HydrophobicContact CB-CE1 4.36Å; I28-F95 HydrophobicContact CB-CZ 4.29Å; I28-F95 HydrophobicContact CG2-CD1 3.75Å; I28-F95 HydrophobicContact CG2-CE1 3.29Å; I28-F95 HydrophobicContact CG2-CE2 4.38Å; I28-F95 HydrophobicContact CG2-CG 4.5Å; I28-F95 HydrophobicContact CG2-CZ 3.65Å; Q29-F95 HydrophobicContact CB-CZ 4.49Å; Y32-F95 AromaticContact CD2-CE1 3.99Å; Y32-F95 HydrophobicContact CD2-CE1 3.99Å; Y32-F95 HydrophobicContact CE2-CE1 4.33Å; Y32-F95 HydrophobicContact CG-CE1 4.39Å; R91-F95 WeakPolarHBondContact O-CB 3.3Å; R91-F95 PolarHBondContact O-N 2.99Å; L92-F95 PolarHBondContact O-N 3.43Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 3.48Å; F95-N98 PolarHBondContact O-N 3.16Å; F95-Y99 WeakPolarHBondContact O-CB 3.23Å; F95-Y99 PolarHBondContact O-N 3.38Å
96	L	94.8	Very high	92	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-43.3	-180	-67.9	170.3	0	0	0	111.5	Y32 L92 K93 Y99 L100 Y126 L133 L162 A163 T166	Y32-L96 HydrophobicContact CE1-CD2 4.08Å; Y32-L96 HydrophobicContact CE2-CD2 4.15Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.15Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.01Å; K93-L96 PolarHBondContact O-N 3.49Å; L96-Y99 PolarHBondContact O-N 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.37Å; L96-Y126 HydrophobicContact CD2-CE2 4.34Å; L96-L133 HydrophobicContact CD1-CD2 4.42Å; L96-L133 HydrophobicContact CD2-CD2 4Å; L96-L133 HydrophobicContact CG-CD2 4.5Å; L96-L162 HydrophobicContact CD1-CD2 4.22Å; L96-L162 HydrophobicContact CD1-CG 4.2Å; L96-A163 HydrophobicContact CD1-CB 4.17Å; L96-T166 HydrophobicContact CB-CG2 4.07Å
97	K	94.8	Very high	92	Very high	120 Å²	120	54.6 Å²	54.6	52%	0.522	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-46.6	177.9	-173.5	178.6	-180	-176.4	0	111.6	K93 E94 F95 L100 T101 T166	K93-K97 WeakPolarHBondContact O-CB 3.45Å; K93-K97 PolarHBondContact O-N 3.31Å; E94-K97 PolarHBondContact O-N 3.35Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 3.48Å; K97-L100 PolarHBondContact O-N 3.43Å; K97-T101 WeakPolarHBondContact O-CB 3.06Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 2.91Å; K97-T166 HydrophobicContact CB-CG2 4.15Å
98	N	94.1	Very high	92	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-66.4	-39.7	180	-71.9	-21.5	0	0	0	112	E94 F95 N102	E94-N98 WeakPolarHBondContact O-CB 3.47Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 3.37Å; E94-N98 PolarHBondContact O-ND2 3Å; F95-N98 PolarHBondContact O-N 3.16Å; N98-N102 PolarHBondContact O-N 3.44Å; N98-N102 VanDerWaalsContact O-N 3.15Å; N98-N102 PolarHBondContact O-ND2 3.02Å
99	Y	94.4	Very high	92	Very high	46 Å²	46	64.2 Å²	64.2	18%	0.18	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-52.9	174.3	178.3	-93.9	0	0	0	111.2	Y32 F95 L96 T101 N102 L103 Y126	Y32-Y99 HydrophobicContact CD1-CD1 4.03Å; Y32-Y99 AromaticContact CD1-CE1 3.82Å; Y32-Y99 HydrophobicContact CD1-CE1 3.82Å; Y32-Y99 HydrophobicContact CD1-CE2 4.38Å; Y32-Y99 HydrophobicContact CD1-CG 4.43Å; Y32-Y99 HydrophobicContact CG-CE2 4.5Å; Y32-Y99 PolarHBondContact O-OH 3.29Å; F95-Y99 WeakPolarHBondContact O-CB 3.23Å; F95-Y99 PolarHBondContact O-N 3.38Å; L96-Y99 PolarHBondContact O-N 3.44Å; Y99-T101 PolarHBondContact O-N 3.42Å; Y99-N102 PolarHBondContact O-N 3.46Å; Y99-L103 HydrophobicContact CE1-CD2 4.03Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 PolarHBondContact O-N 3.46Å; Y99-Y126 HydrophobicContact CD1-CD2 4.22Å; Y99-Y126 HydrophobicContact CD1-CE2 4.26Å; Y99-Y126 AromaticContact CE1-CD2 4Å; Y99-Y126 HydrophobicContact CE1-CD2 4Å; Y99-Y126 HydrophobicContact CE1-CE2 4.5Å
100	L	94.9	Very high	92	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-35.3	-177.8	-70.2	170.9	0	0	0	113.4	L96 K97 N102 L103 L104 Y126 T166 W167 C170 L171	L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.37Å; K97-L100 PolarHBondContact O-N 3.43Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 2.94Å; L100-L103 HydrophobicContact CD2-CD2 4.35Å; L100-L103 PolarHBondContact O-N 2.86Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-Y126 HydrophobicContact CD1-CE2 3.85Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.22Å; L100-Y126 HydrophobicContact CD2-CD2 3.74Å; L100-Y126 HydrophobicContact CD2-CE2 3.61Å; L100-Y126 HydrophobicContact CD2-CG 4.4Å; L100-Y126 HydrophobicContact CG-CD2 4.41Å; L100-Y126 HydrophobicContact CG-CE2 3.8Å; L100-T166 VanDerWaalsContact CD1-C 3.48Å; L100-T166 HydrophobicContact CD1-CG2 3.74Å; L100-T166 WeakPolarHBondContact CD1-O 3.48Å; L100-W167 HydrophobicContact CD1-CB 4.4Å; L100-W167 HydrophobicContact CD2-CE3 3.55Å; L100-W167 HydrophobicContact CD2-CZ3 3.89Å; L100-C170 HydrophobicContact CB-CB 3.72Å; L100-C170 HydrophobicContact CD1-CB 4.25Å; L100-L171 HydrophobicContact CD2-CD1 3.74Å
101	T	93.2	Very high	91.9	Very high	58 Å²	58	65.8 Å²	65.8	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-35.3	176.9	-52.7	0	0	0	0	111.6	K97 Y99	K97-T101 WeakPolarHBondContact O-CB 3.06Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 2.91Å; Y99-T101 PolarHBondContact O-N 3.42Å
102	N	92.4	Very high	91.7	Very high	93 Å²	93	67 Å²	67	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-72.4	-40.8	173.4	-73	-30.1	0	0	0	111.4	N98 Y99 L100 L104 K105	N98-N102 PolarHBondContact O-N 3.44Å; N98-N102 VanDerWaalsContact O-N 3.15Å; N98-N102 PolarHBondContact O-ND2 3.02Å; Y99-N102 PolarHBondContact O-N 3.46Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 2.94Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 3.29Å; N102-K105 WeakPolarHBondContact O-CB 3.41Å; N102-K105 PolarHBondContact O-N 2.99Å
103	L	92.3	Very high	91.6	Very high	15 Å²	15	70.5 Å²	70.5	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-36.2	178.6	-173.2	61.7	0	0	0	112.7	Y99 L100 K105 D106 F118 Q122 L171	Y99-L103 HydrophobicContact CE1-CD2 4.03Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 PolarHBondContact O-N 3.46Å; L100-L103 HydrophobicContact CD2-CD2 4.35Å; L100-L103 PolarHBondContact O-N 2.86Å; L103-K105 PolarHBondContact O-N 3.26Å; L103-D106 PolarHBondContact O-N 3.41Å; L103-D106 VanDerWaalsContact O-N 3.17Å; L103-F118 HydrophobicContact CD1-CE2 4.38Å; L103-F118 HydrophobicContact CD1-CZ 4.32Å; L103-F118 HydrophobicContact CG-CZ 4.26Å; L103-F118 WeakPolarHBondContact O-CZ 3.41Å; L103-Q122 HydrophobicContact CD1-CG 4.15Å; L103-Q122 HydrophobicContact CD2-CB 4.12Å; L103-Q122 HydrophobicContact CD2-CG 4.11Å; L103-Q122 HydrophobicContact CG-CG 4.38Å; L103-L171 HydrophobicContact CB-CD1 4.19Å; L103-L171 HydrophobicContact CD2-CD1 3.77Å; L103-L171 HydrophobicContact CG-CD1 3.99Å
104	L	92.1	Very high	91.5	Very high	18 Å²	18	68.6 Å²	68.6	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-57.1	-35.1	177.9	178.5	65.7	0	0	0	112.5	L100 N102 D106 G107 E108 P174 L175	L100-L104 PolarHBondContact O-N 3.38Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 3.29Å; L104-D106 PolarHBondContact O-N 3.49Å; L104-G107 PolarHBondContact O-N 3.32Å; L104-E108 HydrophobicContact CD1-CG 4.33Å; L104-E108 HydrophobicContact CG-CG 4.15Å; L104-E108 PolarHBondContact O-N 3.15Å; L104-E108 VanDerWaalsContact O-N 3.09Å; L104-P174 HydrophobicContact CD1-CB 4.02Å; L104-P174 HydrophobicContact CD1-CG 4.42Å; L104-P174 HydrophobicContact CD2-CB 4.13Å; L104-P174 HydrophobicContact CD2-CG 4Å; L104-L175 HydrophobicContact CD1-CD1 3.93Å; L104-L175 HydrophobicContact CD1-CD2 4.12Å; L104-L175 HydrophobicContact CD1-CG 3.81Å
105	K	91.9	Very high	91.5	Very high	136 Å²	136	62.9 Å²	62.9	59%	0.591	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.5	-179.2	-64	175.8	-179.6	169.5	0	112.8	N102 L103 G107	N102-K105 WeakPolarHBondContact O-CB 3.41Å; N102-K105 PolarHBondContact O-N 2.99Å; L103-K105 PolarHBondContact O-N 3.26Å; K105-G107 PolarHBondContact O-N 3.29Å
106	D	89.1	Confident	91.5	Very high	116 Å²	116	62.1 Å²	62.1	62%	0.62	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.5	179.4	-59.6	-25	0	0	0	112.3	L103 L104 F118	L103-D106 PolarHBondContact O-N 3.41Å; L103-D106 VanDerWaalsContact O-N 3.17Å; L104-D106 PolarHBondContact O-N 3.49Å; D106-F118 HydrophobicContact CB-CE2 4.02Å; D106-F118 HydrophobicContact CB-CZ 4.4Å
107	G	85.7	Confident	91.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-8.1	-173.8	0	0	0	0	0	116.1	L104 K105 D109 L110	L104-G107 PolarHBondContact O-N 3.32Å; K105-G107 PolarHBondContact O-N 3.29Å; G107-D109 VanDerWaalsContact C-N 3.3Å; G107-D109 PolarHBondContact O-N 3.45Å; G107-L110 PolarHBondContact O-N 2.97Å
108	E	86.3	Confident	91.5	Very high	102 Å²	102	62.6 Å²	62.6	48%	0.477	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.7	-171.1	-111.8	174	-177.4	0	0	114.1	L104	L104-E108 HydrophobicContact CD1-CG 4.33Å; L104-E108 HydrophobicContact CG-CG 4.15Å; L104-E108 PolarHBondContact O-N 3.15Å; L104-E108 VanDerWaalsContact O-N 3.09Å
109	D	88.6	Confident	91.5	Very high	156 Å²	156	58.7 Å²	58.7	83%	0.834	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.4	-177.6	-64.6	-40	0	0	0	113.7	G107	G107-D109 VanDerWaalsContact C-N 3.3Å; G107-D109 PolarHBondContact O-N 3.45Å
110	L	91	Very high	91.5	Very high	51 Å²	51	57.1 Å²	57.1	27%	0.267	29%	0.292	S	S	.	.			trans	-76.4	144.2	-179	-63.6	-179.9	0	0	0	111	G107 V115 F118 Q178	G107-L110 PolarHBondContact O-N 2.97Å; L110-V115 HydrophobicContact CB-CB 3.83Å; L110-V115 HydrophobicContact CB-CG2 4.18Å; L110-F118 HydrophobicContact CD1-CB 3.5Å; L110-F118 VanDerWaalsContact CD1-CB 3.5Å; L110-F118 HydrophobicContact CD1-CD1 4.27Å; L110-F118 HydrophobicContact CD1-CD2 4.07Å; L110-F118 HydrophobicContact CD1-CG 3.69Å; L110-Q178 PolarHBondContact O-OE1 2.79Å
111	M	88.2	Confident	91.4	Very high	105 Å²	105	61.4 Å²	61.4	52%	0.517	31%	0.312	S	S	.	.			trans	-138	159.3	-177.2	-69.5	-71.4	-79.3	0	0	111.4	E113 S114 Q178	M111-E113 PolarHBondContact O-N 3.44Å; M111-S114 PolarHBondContact N-OG 3.29Å; M111-S114 PolarHBondContact O-N 3.44Å; M111-S114 PolarHBondContact O-OG 2.67Å; M111-Q178 HydrophobicContact SD-CG 4.2Å
112	D	88.1	Confident	91.5	Very high	77 Å²	77	60.5 Å²	60.5	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	53.1	-131.2	177	-57.4	-46.2	0	0	0	112.9	S114 V115 L116 A182 K185	D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 PolarHBondContact O-N 3.44Å; D112-V115 WeakPolarHBondContact O-CG1 3.4Å; D112-V115 PolarHBondContact O-N 3.14Å; D112-L116 PolarHBondContact O-N 2.87Å; D112-A182 WeakPolarHBondContact O-CB 3.02Å; D112-K185 WeakPolarHBondContact OD1-CD 3.18Å; D112-K185 IonicContact OD1-NZ 3Å; D112-K185 PolarHBondContact OD1-NZ 2.84Å
113	E	90	Very high	91.6	Very high	74 Å²	74	56.3 Å²	56.3	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-69.9	-22.4	-173.7	-153.1	-170.9	149.7	0	0	113.2	M111 L116 K117 L186 L200	M111-E113 PolarHBondContact O-N 3.44Å; E113-L116 PolarHBondContact O-N 3.03Å; E113-K117 WeakPolarHBondContact O-CG 3.41Å; E113-K117 PolarHBondContact O-N 2.91Å; E113-K117 WeakPolarHBondContact OE1-CE 3.44Å; E113-K117 IonicContact OE1-NZ 3.24Å; E113-K117 PolarHBondContact OE1-NZ 3.41Å; E113-K117 IonicContact OE2-NZ 3.41Å; E113-L186 HydrophobicContact CG-CD1 4.06Å; E113-L200 HydrophobicContact CG-CD1 3.69Å
114	S	91.9	Very high	91.6	Very high	56 Å²	56	61.2 Å²	61.2	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-71.3	-40.2	178.4	67.4	0	0	0	0	111.4	M111 D112 L116 K117 F118	M111-S114 PolarHBondContact N-OG 3.29Å; M111-S114 PolarHBondContact O-N 3.44Å; M111-S114 PolarHBondContact O-OG 2.67Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 PolarHBondContact O-N 3.44Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.93Å; S114-K117 PolarHBondContact O-N 2.81Å; S114-F118 WeakPolarHBondContact O-CB 3.44Å; S114-F118 PolarHBondContact O-N 2.94Å
115	V	93.9	Very high	91.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-34.9	174.4	73.5	0	0	0	0	111.3	L110 D112 Y119 V179 A182	L110-V115 HydrophobicContact CB-CB 3.83Å; L110-V115 HydrophobicContact CB-CG2 4.18Å; D112-V115 WeakPolarHBondContact O-CG1 3.4Å; D112-V115 PolarHBondContact O-N 3.14Å; V115-Y119 WeakPolarHBondContact O-CB 3.29Å; V115-Y119 PolarHBondContact O-N 3.4Å; V115-V179 HydrophobicContact CG2-CG2 4Å; V115-A182 HydrophobicContact CG1-CB 3.94Å
116	L	93.5	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-45.7	175.7	-64.6	176.8	0	0	0	112.3	D112 E113 S114 F118 Y119 T120 V179 A182 V183 L186 L200 V204	D112-L116 PolarHBondContact O-N 2.87Å; E113-L116 PolarHBondContact O-N 3.03Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.93Å; L116-F118 VanDerWaalsContact C-N 3.35Å; L116-Y119 PolarHBondContact O-N 3.46Å; L116-T120 WeakPolarHBondContact O-CB 3.34Å; L116-T120 WeakPolarHBondContact O-CG2 3.35Å; L116-T120 PolarHBondContact O-N 3.44Å; L116-T120 PolarHBondContact O-OG1 2.92Å; L116-V179 HydrophobicContact CD2-CG1 3.94Å; L116-A182 HydrophobicContact CD1-CB 3.86Å; L116-A182 HydrophobicContact CD2-CB 3.88Å; L116-A182 HydrophobicContact CG-CB 3.67Å; L116-V183 HydrophobicContact CD2-CG2 3.55Å; L116-L186 HydrophobicContact CD1-CD1 3.81Å; L116-L200 HydrophobicContact CB-CB 4.3Å; L116-L200 HydrophobicContact CB-CD1 4.27Å; L116-V204 HydrophobicContact CD2-CG2 3.9Å
117	K	94.4	Very high	92.1	Very high	104 Å²	104	53 Å²	53	45%	0.452	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-45.3	176.1	-77.5	170.8	-177.3	159.4	0	111.3	E113 S114 T120 Q121 L200	E113-K117 WeakPolarHBondContact O-CG 3.41Å; E113-K117 PolarHBondContact O-N 2.91Å; E113-K117 WeakPolarHBondContact OE1-CE 3.44Å; E113-K117 IonicContact OE1-NZ 3.24Å; E113-K117 PolarHBondContact OE1-NZ 3.41Å; E113-K117 IonicContact OE2-NZ 3.41Å; S114-K117 PolarHBondContact O-N 2.81Å; K117-T120 PolarHBondContact O-OG1 3.42Å; K117-Q121 VanDerWaalsContact O-CB 3.23Å; K117-Q121 WeakPolarHBondContact O-CB 3.13Å; K117-Q121 PolarHBondContact O-N 2.98Å; K117-Q121 VanDerWaalsContact O-N 3.09Å; K117-L200 HydrophobicContact CB-CD2 4.5Å; K117-L200 HydrophobicContact CG-CD1 4.03Å; K117-L200 HydrophobicContact CG-CD2 3.8Å
118	F	94.8	Very high	92.4	Very high	26 Å²	26	58.7 Å²	58.7	11%	0.114	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-56.1	174.7	172.8	-98.1	0	0	0	110.9	L103 D106 L110 S114 L116 T120 Q121 Q122 L175	L103-F118 HydrophobicContact CD1-CE2 4.38Å; L103-F118 HydrophobicContact CD1-CZ 4.32Å; L103-F118 HydrophobicContact CG-CZ 4.26Å; L103-F118 WeakPolarHBondContact O-CZ 3.41Å; D106-F118 HydrophobicContact CB-CE2 4.02Å; D106-F118 HydrophobicContact CB-CZ 4.4Å; L110-F118 HydrophobicContact CD1-CB 3.5Å; L110-F118 VanDerWaalsContact CD1-CB 3.5Å; L110-F118 HydrophobicContact CD1-CD1 4.27Å; L110-F118 HydrophobicContact CD1-CD2 4.07Å; L110-F118 HydrophobicContact CD1-CG 3.69Å; S114-F118 WeakPolarHBondContact O-CB 3.44Å; S114-F118 PolarHBondContact O-N 2.94Å; L116-F118 VanDerWaalsContact C-N 3.35Å; F118-T120 PolarHBondContact O-N 3.31Å; F118-Q121 PolarHBondContact O-N 3.16Å; F118-Q122 HydrophobicContact CD2-CG 3.93Å; F118-Q122 HydrophobicContact CE1-CG 4.32Å; F118-Q122 HydrophobicContact CE2-CG 3.68Å; F118-Q122 HydrophobicContact CG-CG 4.36Å; F118-Q122 HydrophobicContact CZ-CG 3.89Å; F118-Q122 WeakPolarHBondContact O-CB 3.46Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 3.02Å; F118-L175 HydrophobicContact CE1-CD1 4.21Å
119	Y	95.1	Very high	92.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-45.5	-175.1	-171.3	-90.5	0	0	0	112.4	V115 L116 W123 W167 L171 L175 V179 V204 S207 Y208	V115-Y119 WeakPolarHBondContact O-CB 3.29Å; V115-Y119 PolarHBondContact O-N 3.4Å; L116-Y119 PolarHBondContact O-N 3.46Å; Y119-W123 WeakPolarHBondContact O-CB 3.5Å; Y119-W123 PolarHBondContact O-N 2.95Å; Y119-W167 HydrophobicContact CD2-CZ2 4.24Å; Y119-W167 HydrophobicContact CE1-CZ2 4.34Å; Y119-W167 AromaticContact CE2-CZ2 3.81Å; Y119-W167 HydrophobicContact CE2-CZ2 3.81Å; Y119-W167 AromaticContact CZ-CZ2 3.86Å; Y119-W167 AromaticContact CZ-NE1 3.62Å; Y119-W167 PolarHBondContact OH-NE1 3.02Å; Y119-L171 HydrophobicContact CD2-CD2 3.93Å; Y119-L171 HydrophobicContact CE2-CD2 3.94Å; Y119-L175 HydrophobicContact CD2-CD1 4.41Å; Y119-V179 HydrophobicContact CD1-CG1 4.24Å; Y119-V179 HydrophobicContact CD2-CG2 3.9Å; Y119-V179 HydrophobicContact CE2-CG2 4.49Å; Y119-V179 HydrophobicContact CG-CG1 4.33Å; Y119-V179 HydrophobicContact CG-CG2 4Å; Y119-V204 HydrophobicContact CD1-CG2 4.03Å; Y119-S207 PolarHBondContact OH-OG 3.33Å; Y119-Y208 HydrophobicContact CE1-CE1 4.48Å
120	T	93.6	Very high	93.1	Very high	12 Å²	12	46.5 Å²	46.5	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-44.6	-179.4	49.4	0	0	0	0	113	L116 K117 F118 W123 E124 L200 V204	L116-T120 WeakPolarHBondContact O-CB 3.34Å; L116-T120 WeakPolarHBondContact O-CG2 3.35Å; L116-T120 PolarHBondContact O-N 3.44Å; L116-T120 PolarHBondContact O-OG1 2.92Å; K117-T120 PolarHBondContact O-OG1 3.42Å; F118-T120 PolarHBondContact O-N 3.31Å; T120-W123 PolarHBondContact O-N 2.91Å; T120-E124 WeakPolarHBondContact O-CG 3.44Å; T120-E124 PolarHBondContact O-N 3.23Å; T120-L200 VanDerWaalsContact CG2-O 3.25Å; T120-L200 WeakPolarHBondContact CG2-O 3.37Å; T120-L200 WeakPolarHBondContact OG1-CD2 3.41Å; T120-V204 HydrophobicContact CG2-CG2 3.82Å
121	Q	93.7	Very high	93.2	Very high	91 Å²	91	48.5 Å²	48.5	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-48.9	176.7	-177	60.5	46.4	0	0	110.9	K117 F118 W123 E124 D125	K117-Q121 VanDerWaalsContact O-CB 3.23Å; K117-Q121 WeakPolarHBondContact O-CB 3.13Å; K117-Q121 PolarHBondContact O-N 2.98Å; K117-Q121 VanDerWaalsContact O-N 3.09Å; F118-Q121 PolarHBondContact O-N 3.16Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 2.78Å; Q121-E124 PolarHBondContact O-N 3.09Å; Q121-D125 PolarHBondContact NE2-OD2 3.45Å; Q121-D125 PolarHBondContact O-N 3.02Å
122	Q	94.1	Very high	93.4	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-35.9	179	-66.4	-48.3	-38.6	0	0	111.8	L103 F118 Y126 W167	L103-Q122 HydrophobicContact CD1-CG 4.15Å; L103-Q122 HydrophobicContact CD2-CB 4.12Å; L103-Q122 HydrophobicContact CD2-CG 4.11Å; L103-Q122 HydrophobicContact CG-CG 4.38Å; F118-Q122 HydrophobicContact CD2-CG 3.93Å; F118-Q122 HydrophobicContact CE1-CG 4.32Å; F118-Q122 HydrophobicContact CE2-CG 3.68Å; F118-Q122 HydrophobicContact CG-CG 4.36Å; F118-Q122 HydrophobicContact CZ-CG 3.89Å; F118-Q122 WeakPolarHBondContact O-CB 3.46Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 3.02Å; Q122-Y126 WeakPolarHBondContact O-CB 3.35Å; Q122-Y126 PolarHBondContact O-N 2.99Å; Q122-W167 HydrophobicContact CB-CH2 3.87Å; Q122-W167 HydrophobicContact CB-CZ3 4.43Å
123	W	94.8	Very high	93.6	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-47.7	175	172.9	-116	0	0	0	111.9	Y119 T120 Q121 D125 Y126 R127 L164 W167 E210 L211	Y119-W123 WeakPolarHBondContact O-CB 3.5Å; Y119-W123 PolarHBondContact O-N 2.95Å; T120-W123 PolarHBondContact O-N 2.91Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 2.78Å; W123-D125 VanDerWaalsContact C-N 3.35Å; W123-D125 PolarHBondContact O-N 3.42Å; W123-Y126 PolarHBondContact O-N 3.08Å; W123-R127 WeakPolarHBondContact O-CB 3.32Å; W123-R127 PolarHBondContact O-N 3Å; W123-L164 HydrophobicContact CH2-CD2 3.45Å; W123-L164 VanDerWaalsContact CH2-CD2 3.45Å; W123-L164 HydrophobicContact CZ2-CD2 4.4Å; W123-L164 HydrophobicContact CZ3-CD2 4.09Å; W123-W167 HydrophobicContact CB-CH2 4.02Å; W123-W167 HydrophobicContact CB-CZ2 3.76Å; W123-W167 HydrophobicContact CD2-CZ2 4.42Å; W123-W167 AromaticContact CE3-CD1 3.86Å; W123-W167 AromaticContact CE3-CD2 3.64Å; W123-W167 HydrophobicContact CE3-CD2 3.64Å; W123-W167 AromaticContact CE3-CE2 3.38Å; W123-W167 HydrophobicContact CE3-CE3 4.23Å; W123-W167 AromaticContact CE3-CG 3.95Å; W123-W167 HydrophobicContact CE3-CG 3.95Å; W123-W167 HydrophobicContact CE3-CH2 4.36Å; W123-W167 AromaticContact CE3-CZ2 3.77Å; W123-W167 HydrophobicContact CE3-CZ2 3.77Å; W123-W167 AromaticContact CE3-NE1 3.47Å; W123-W167 HydrophobicContact CG-CZ2 4.47Å; W123-W167 HydrophobicContact CZ3-CB 4.3Å; W123-W167 AromaticContact CZ3-CD1 3.57Å; W123-W167 AromaticContact CZ3-CD2 3.87Å; W123-W167 HydrophobicContact CZ3-CD2 3.87Å; W123-W167 AromaticContact CZ3-CE2 3.92Å; W123-W167 AromaticContact CZ3-CG 3.66Å; W123-W167 HydrophobicContact CZ3-CG 3.66Å; W123-W167 AromaticContact CZ3-NE1 3.67Å; W123-E210 HydrophobicContact CH2-CB 4.42Å; W123-E210 HydrophobicContact CZ2-CB 4.02Å; W123-L211 HydrophobicContact CH2-CD2 4.16Å; W123-L211 HydrophobicContact CH2-CG 4.27Å; W123-L211 HydrophobicContact CZ3-CD2 4.21Å
124	E	93.4	Very high	93.8	Very high	118 Å²	118	40 Å²	40	55%	0.551	19%	0.19	S	C	*	.	H	α-helix	trans	-60.1	-46	178.5	-75.1	-169.9	172.7	0	0	111.7	T120 Q121 F128	T120-E124 WeakPolarHBondContact O-CG 3.44Å; T120-E124 PolarHBondContact O-N 3.23Å; Q121-E124 PolarHBondContact O-N 3.09Å; E124-F128 WeakPolarHBondContact O-CB 3.49Å; E124-F128 PolarHBondContact O-N 2.96Å
125	D	93.3	Very high	93.8	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-44.9	179.7	-74.3	-31	0	0	0	111.8	R34 Q121 W123 S129	R34-D125 WeakPolarHBondContact CD-OD1 3.49Å; R34-D125 IonicContact CZ-OD1 3.88Å; R34-D125 IonicContact NE-OD1 3.15Å; R34-D125 PolarHBondContact NE-OD1 2.96Å; R34-D125 IonicContact NH1-OD1 2.72Å; R34-D125 PolarHBondContact NH1-OD1 2.85Å; Q121-D125 PolarHBondContact NE2-OD2 3.45Å; Q121-D125 PolarHBondContact O-N 3.02Å; W123-D125 VanDerWaalsContact C-N 3.35Å; W123-D125 PolarHBondContact O-N 3.42Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.21Å; D125-S129 PolarHBondContact O-N 3.14Å; D125-S129 PolarHBondContact O-OG 3.39Å
126	Y	95.1	Very high	93.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.7	-177	-95.7	0	0	0	111.5	Y32 L96 Y99 L100 Q122 W123 S129 S130 A163 W167	Y32-Y126 HydrophobicContact CD1-CD2 4.05Å; Y32-Y126 HydrophobicContact CD1-CE2 4.31Å; Y32-Y126 AromaticContact CE1-CD2 3.49Å; Y32-Y126 HydrophobicContact CE1-CD2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CD2 3.49Å; Y32-Y126 AromaticContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CE2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CG 4.4Å; L96-Y126 HydrophobicContact CD2-CE2 4.34Å; Y99-Y126 HydrophobicContact CD1-CD2 4.22Å; Y99-Y126 HydrophobicContact CD1-CE2 4.26Å; Y99-Y126 AromaticContact CE1-CD2 4Å; Y99-Y126 HydrophobicContact CE1-CD2 4Å; Y99-Y126 HydrophobicContact CE1-CE2 4.5Å; L100-Y126 HydrophobicContact CD1-CE2 3.85Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.22Å; L100-Y126 HydrophobicContact CD2-CD2 3.74Å; L100-Y126 HydrophobicContact CD2-CE2 3.61Å; L100-Y126 HydrophobicContact CD2-CG 4.4Å; L100-Y126 HydrophobicContact CG-CD2 4.41Å; L100-Y126 HydrophobicContact CG-CE2 3.8Å; Q122-Y126 WeakPolarHBondContact O-CB 3.35Å; Q122-Y126 PolarHBondContact O-N 2.99Å; W123-Y126 PolarHBondContact O-N 3.08Å; Y126-S129 PolarHBondContact O-N 2.81Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.45Å; Y126-S130 WeakPolarHBondContact O-CB 3.45Å; Y126-S130 PolarHBondContact O-N 3.06Å; Y126-S130 PolarHBondContact O-OG 3.33Å; Y126-A163 HydrophobicContact CE1-CB 4.07Å; Y126-A163 WeakPolarHBondContact CE1-O 3.48Å; Y126-A163 WeakPolarHBondContact OH-CA 3.23Å; Y126-A163 PolarHBondContact OH-O 2.99Å; Y126-W167 HydrophobicContact CD1-CB 4.31Å; Y126-W167 HydrophobicContact CD1-CD2 4.12Å; Y126-W167 AromaticContact CD1-CE3 3.4Å; Y126-W167 HydrophobicContact CD1-CE3 3.4Å; Y126-W167 VanDerWaalsContact CD1-CE3 3.4Å; Y126-W167 HydrophobicContact CD1-CZ3 4.06Å; Y126-W167 HydrophobicContact CD2-CE3 4.14Å; Y126-W167 HydrophobicContact CD2-CZ3 4.37Å; Y126-W167 HydrophobicContact CE1-CB 3.82Å; Y126-W167 HydrophobicContact CE1-CD2 4.47Å; Y126-W167 AromaticContact CE1-CE3 3.93Å; Y126-W167 HydrophobicContact CE1-CE3 3.93Å; Y126-W167 HydrophobicContact CE1-CG 4.48Å; Y126-W167 AromaticContact CG-CE3 3.52Å; Y126-W167 HydrophobicContact CG-CE3 3.52Å; Y126-W167 AromaticContact CG-CZ3 3.75Å; Y126-W167 HydrophobicContact CG-CZ3 3.75Å
127	R	93.8	Very high	93.7	Very high	74 Å²	74	38.2 Å²	38.2	28%	0.279	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-46.1	178.1	-178.8	179.1	176.9	-105.6	11.3	111.3	W123 S130 K131 Y160 E210	W123-R127 WeakPolarHBondContact O-CB 3.32Å; W123-R127 PolarHBondContact O-N 3Å; R127-S130 PolarHBondContact O-N 2.99Å; R127-K131 VanDerWaalsContact NH2-NZ 3.13Å; R127-K131 WeakPolarHBondContact O-CG 3.41Å; R127-K131 PolarHBondContact O-N 3.14Å; R127-K131 VanDerWaalsContact O-N 3.14Å; R127-Y160 WeakPolarHBondContact CG-OH 3.41Å; R127-E210 IonicContact CZ-OE1 3.82Å; R127-E210 IonicContact CZ-OE2 3.98Å; R127-E210 VanDerWaalsContact NE-CD 3.29Å; R127-E210 IonicContact NE-OE1 2.81Å; R127-E210 PolarHBondContact NE-OE1 2.98Å; R127-E210 IonicContact NE-OE2 3.52Å; R127-E210 PolarHBondContact NE-OE2 3.2Å; R127-E210 IonicContact NH2-OE1 3.69Å; R127-E210 PolarHBondContact NH2-OE1 3.27Å; R127-E210 IonicContact NH2-OE2 3.95Å
128	F	93.4	Very high	93.5	Very high	118 Å²	118	35.1 Å²	35.1	52%	0.518	18%	0.175	S	C	.	.	H	α-helix	trans	-61.9	-51.7	175.9	177.4	-95.7	0	0	0	111.3	E124 S130 K131 V132	E124-F128 WeakPolarHBondContact O-CB 3.49Å; E124-F128 PolarHBondContact O-N 2.96Å; F128-S130 VanDerWaalsContact C-N 3.26Å; F128-S130 PolarHBondContact O-N 3.45Å; F128-K131 PolarHBondContact O-N 3.19Å; F128-K131 VanDerWaalsContact O-N 3.09Å; F128-V132 HydrophobicContact CD1-CG2 4.38Å; F128-V132 HydrophobicContact CE1-CG2 3.93Å; F128-V132 HydrophobicContact CZ-CG2 4.05Å; F128-V132 PolarHBondContact O-N 3.28Å; F128-V132 VanDerWaalsContact O-N 3.13Å
129	S	94.5	Very high	93.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-40	179.7	-59.3	0	0	0	0	111.9	V31 D125 Y126 K131 V132 L133	V31-S129 PolarHBondContact O-OG 3.43Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.21Å; D125-S129 PolarHBondContact O-N 3.14Å; D125-S129 PolarHBondContact O-OG 3.39Å; Y126-S129 PolarHBondContact O-N 2.81Å; S129-K131 PolarHBondContact O-N 3.26Å; S129-V132 PolarHBondContact O-N 2.9Å; S129-L133 PolarHBondContact O-N 3.35Å
130	S	94.4	Very high	93	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-32.1	178.6	-58.9	0	0	0	0	113	Y32 Y126 R127 F128 N134 A163	Y32-S130 WeakPolarHBondContact OH-CA 3.4Å; Y32-S130 PolarHBondContact OH-OG 3.44Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.45Å; Y126-S130 WeakPolarHBondContact O-CB 3.45Å; Y126-S130 PolarHBondContact O-N 3.06Å; Y126-S130 PolarHBondContact O-OG 3.33Å; R127-S130 PolarHBondContact O-N 2.99Å; F128-S130 VanDerWaalsContact C-N 3.26Å; F128-S130 PolarHBondContact O-N 3.45Å; S130-N134 VanDerWaalsContact O-CB 3.29Å; S130-N134 WeakPolarHBondContact O-CB 3.46Å; S130-N134 PolarHBondContact O-N 2.95Å; S130-A163 WeakPolarHBondContact OG-CB 3.1Å
131	K	93	Very high	92.9	Very high	93 Å²	93	35.4 Å²	35.4	40%	0.404	18%	0.175	S	C	.	.	H	α-helix	trans	-68.4	-39.9	171.7	-72.5	-179.8	-178.3	-179	0	111.8	R127 F128 S129 N134 G135 Y160	R127-K131 VanDerWaalsContact NH2-NZ 3.13Å; R127-K131 WeakPolarHBondContact O-CG 3.41Å; R127-K131 PolarHBondContact O-N 3.14Å; R127-K131 VanDerWaalsContact O-N 3.14Å; F128-K131 PolarHBondContact O-N 3.19Å; F128-K131 VanDerWaalsContact O-N 3.09Å; S129-K131 PolarHBondContact O-N 3.26Å; K131-N134 WeakPolarHBondContact O-CB 3.4Å; K131-N134 PolarHBondContact O-N 2.67Å; K131-G135 PolarHBondContact O-N 2.9Å; K131-Y160 HydrophobicContact CD-CE2 4.39Å; K131-Y160 WeakPolarHBondContact CE-OH 3.39Å; K131-Y160 HydrophobicContact CG-CD2 3.85Å; K131-Y160 HydrophobicContact CG-CE2 3.47Å; K131-Y160 VanDerWaalsContact CG-CE2 3.47Å
132	V	92.6	Very high	92.6	Very high	36 Å²	36	39.7 Å²	39.7	22%	0.218	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-45.9	175	178.3	0	0	0	0	110.2	V31 Y42 F128 S129 N134 G135 I136	V31-V132 HydrophobicContact CG1-CB 3.79Å; V31-V132 HydrophobicContact CG1-CG1 3.81Å; V31-V132 HydrophobicContact CG2-CG1 3.95Å; Y42-V132 HydrophobicContact CD2-CG1 4.38Å; Y42-V132 HydrophobicContact CE2-CG1 4.19Å; F128-V132 HydrophobicContact CD1-CG2 4.38Å; F128-V132 HydrophobicContact CE1-CG2 3.93Å; F128-V132 HydrophobicContact CZ-CG2 4.05Å; F128-V132 PolarHBondContact O-N 3.28Å; F128-V132 VanDerWaalsContact O-N 3.13Å; S129-V132 PolarHBondContact O-N 2.9Å; V132-N134 VanDerWaalsContact C-N 3.32Å; V132-N134 PolarHBondContact O-N 3.41Å; V132-G135 WeakPolarHBondContact O-CA 3.4Å; V132-G135 PolarHBondContact O-N 3.41Å; V132-I136 HydrophobicContact CG1-CD1 4.29Å; V132-I136 WeakPolarHBondContact O-CG1 3.39Å; V132-I136 PolarHBondContact O-N 3.09Å
133	L	93.4	Very high	92.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-44.3	174.6	178.8	61.9	0	0	0	111.7	I28 Y32 L92 L96 S129 G135 I136 C137 I159	I28-L133 HydrophobicContact CD1-CD1 3.89Å; I28-L133 HydrophobicContact CG1-CD1 3.75Å; I28-L133 HydrophobicContact CG2-CD1 4.08Å; Y32-L133 HydrophobicContact CE2-CB 4.25Å; Y32-L133 HydrophobicContact CE2-CD2 3.96Å; L92-L133 HydrophobicContact CD2-CD1 4.23Å; L96-L133 HydrophobicContact CD1-CD2 4.42Å; L96-L133 HydrophobicContact CD2-CD2 4Å; L96-L133 HydrophobicContact CG-CD2 4.5Å; S129-L133 PolarHBondContact O-N 3.35Å; L133-G135 PolarHBondContact O-N 2.82Å; L133-I136 PolarHBondContact O-N 3.45Å; L133-C137 PolarHBondContact O-N 3.21Å; L133-I159 HydrophobicContact CD2-CG2 3.92Å; L133-I159 HydrophobicContact CG-CG2 3.78Å
134	N	92.8	Very high	91.9	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-36.7	175.9	-169.5	67.6	0	0	0	112.3	S130 K131 V132 C137 A138 N141 Y160	S130-N134 VanDerWaalsContact O-CB 3.29Å; S130-N134 WeakPolarHBondContact O-CB 3.46Å; S130-N134 PolarHBondContact O-N 2.95Å; K131-N134 WeakPolarHBondContact O-CB 3.4Å; K131-N134 PolarHBondContact O-N 2.67Å; V132-N134 VanDerWaalsContact C-N 3.32Å; V132-N134 PolarHBondContact O-N 3.41Å; N134-C137 CarbonylContact O-C 3.59Å; N134-C137 PolarHBondContact O-N 3.17Å; N134-A138 PolarHBondContact O-N 3.09Å; N134-A138 VanDerWaalsContact O-N 3.12Å; N134-N141 PolarHBondContact OD1-ND2 3.38Å; N134-Y160 PolarHBondContact OD1-N 3.34Å
135	G	92.1	Very high	91.5	Very high	19 Å²	19	36 Å²	36	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-46.1	173.3	0	0	0	0	0	113.2	Y42 K131 V132 L133 C137 A138	Y42-G135 WeakPolarHBondContact OH-CA 3.36Å; Y42-G135 PolarHBondContact OH-O 2.97Å; K131-G135 PolarHBondContact O-N 2.9Å; V132-G135 WeakPolarHBondContact O-CA 3.4Å; V132-G135 PolarHBondContact O-N 3.41Å; L133-G135 PolarHBondContact O-N 2.82Å; G135-C137 PolarHBondContact O-N 3.25Å; G135-A138 VanDerWaalsContact O-CB 3.3Å; G135-A138 WeakPolarHBondContact O-CB 3.25Å; G135-A138 PolarHBondContact O-N 2.93Å; G135-A138 VanDerWaalsContact O-N 3.14Å
136	I	92.5	Very high	91.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-40.1	175.2	-66	169.9	0	0	0	110.1	L24 V31 Y42 L45 Y46 V49 V132 L133 A138	L24-I136 HydrophobicContact CD1-CG2 4.3Å; V31-I136 HydrophobicContact CG2-CD1 4.17Å; Y42-I136 HydrophobicContact CD2-CD1 4.36Å; Y42-I136 HydrophobicContact CD2-CG1 3.84Å; Y42-I136 HydrophobicContact CE2-CD1 4.39Å; Y42-I136 HydrophobicContact CE2-CG1 3.52Å; Y42-I136 PolarHBondContact OH-N 3.2Å; L45-I136 HydrophobicContact CB-CD1 4.44Å; L45-I136 HydrophobicContact CB-CG2 3.87Å; L45-I136 HydrophobicContact CD1-CD1 3.97Å; Y46-I136 WeakPolarHBondContact CD2-O 3.4Å; V49-I136 HydrophobicContact CG2-CG2 4.16Å; V132-I136 HydrophobicContact CG1-CD1 4.29Å; V132-I136 WeakPolarHBondContact O-CG1 3.39Å; V132-I136 PolarHBondContact O-N 3.09Å; L133-I136 PolarHBondContact O-N 3.45Å; I136-A138 PolarHBondContact O-N 2.99Å
137	C	92.6	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	15.4	-179.5	-62	0	0	0	0	114.4	L133 N134 G135 Y139 L140 N141 I159	L133-C137 PolarHBondContact O-N 3.21Å; N134-C137 CarbonylContact O-C 3.59Å; N134-C137 PolarHBondContact O-N 3.17Å; G135-C137 PolarHBondContact O-N 3.25Å; C137-Y139 PolarHBondContact O-N 2.89Å; C137-Y139 VanDerWaalsContact O-N 3.16Å; C137-L140 HydrophobicContact CB-CB 4.44Å; C137-L140 WeakPolarHBondContact O-CB 3.33Å; C137-L140 PolarHBondContact O-N 3.27Å; C137-N141 PolarHBondContact O-N 3.31Å; C137-I159 HydrophobicContact CB-CB 4.36Å; C137-I159 HydrophobicContact CB-CG1 3.76Å; C137-I159 HydrophobicContact CB-CG2 4.44Å
138	A	91	Very high	90.1	Very high	40 Å²	40	41.7 Å²	41.7	33%	0.331	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-30.8	-173	0	0	0	0	0	113.5	Y46 N134 G135 I136 N141 R142	Y46-A138 HydrophobicContact CE2-CB 4.19Å; N134-A138 PolarHBondContact O-N 3.09Å; N134-A138 VanDerWaalsContact O-N 3.12Å; G135-A138 VanDerWaalsContact O-CB 3.3Å; G135-A138 WeakPolarHBondContact O-CB 3.25Å; G135-A138 PolarHBondContact O-N 2.93Å; G135-A138 VanDerWaalsContact O-N 3.14Å; I136-A138 PolarHBondContact O-N 2.99Å; A138-N141 PolarHBondContact O-N 2.96Å; A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 2.85Å
139	Y	89.7	Confident	89.5	Confident	36 Å²	36	37.2 Å²	37.2	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-41.7	173.6	-168.6	-93	0	0	0	112.4	Y50 C53 T54 C137 R142 H143	Y50-Y139 HydrophobicContact CD2-CD1 4.23Å; Y50-Y139 AromaticContact CD2-CD2 3.43Å; Y50-Y139 HydrophobicContact CD2-CD2 3.43Å; Y50-Y139 VanDerWaalsContact CD2-CD2 3.43Å; Y50-Y139 HydrophobicContact CD2-CE1 4.3Å; Y50-Y139 AromaticContact CD2-CE2 3.49Å; Y50-Y139 HydrophobicContact CD2-CE2 3.49Å; Y50-Y139 VanDerWaalsContact CD2-CE2 3.49Å; Y50-Y139 AromaticContact CD2-CG 3.81Å; Y50-Y139 HydrophobicContact CD2-CG 3.81Å; Y50-Y139 AromaticContact CD2-CZ 3.94Å; Y50-Y139 AromaticContact CE2-CD2 3.86Å; Y50-Y139 HydrophobicContact CE2-CD2 3.86Å; Y50-Y139 AromaticContact CE2-CE2 3.44Å; Y50-Y139 HydrophobicContact CE2-CE2 3.44Å; Y50-Y139 VanDerWaalsContact CE2-CE2 3.44Å; Y50-Y139 AromaticContact CE2-CZ 3.88Å; C53-Y139 HydrophobicContact CB-CD1 3.52Å; C53-Y139 HydrophobicContact CB-CE1 3.54Å; T54-Y139 HydrophobicContact CG2-CE1 3.8Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.15Å; C137-Y139 PolarHBondContact O-N 2.89Å; C137-Y139 VanDerWaalsContact O-N 3.16Å; Y139-R142 PolarHBondContact O-N 2.89Å; Y139-H143 AromaticContact CD2-CD2 3.52Å; Y139-H143 AromaticContact CD2-NE2 3.85Å; Y139-H143 HydrophobicContact CE1-CB 4.43Å; Y139-H143 AromaticContact CE1-CD2 3.89Å; Y139-H143 AromaticContact CE2-CD2 3.26Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.48Å; Y139-H143 AromaticContact CE2-NE2 3.39Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.42Å; Y139-H143 AromaticContact CG-CD2 3.95Å; Y139-H143 AromaticContact CZ-CD2 3.46Å; Y139-H143 VanDerWaalsContact CZ-CD2 3.46Å; Y139-H143 AromaticContact CZ-NE2 3.89Å; Y139-H143 PolarHBondContact O-CD2 2.83Å; Y139-H143 PolarHBondContact O-N 3.41Å; Y139-H143 VanDerWaalsContact O-N 3.16Å
140	L	89.8	Confident	88.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-45	175.9	-176.8	71.8	0	0	0	110.6	V49 L88 L92 C137 W144 V145 I159	V49-L140 HydrophobicContact CG1-CB 4.17Å; L88-L140 HydrophobicContact CD2-CD1 4.4Å; L88-L140 HydrophobicContact CD2-CD2 4.08Å; L88-L140 HydrophobicContact CG-CD2 4.24Å; L92-L140 HydrophobicContact CD1-CD2 4.06Å; C137-L140 HydrophobicContact CB-CB 4.44Å; C137-L140 WeakPolarHBondContact O-CB 3.33Å; C137-L140 PolarHBondContact O-N 3.27Å; L140-W144 HydrophobicContact CD1-CB 3.81Å; L140-W144 HydrophobicContact CD1-CD2 4.23Å; L140-W144 HydrophobicContact CD1-CE3 4Å; L140-W144 HydrophobicContact CD1-CG 4.18Å; L140-W144 HydrophobicContact CG-CE3 4.34Å; L140-W144 PolarHBondContact O-N 2.69Å; L140-V145 HydrophobicContact CG-CG2 4.4Å; L140-V145 PolarHBondContact O-N 3.26Å; L140-I159 HydrophobicContact CD2-CD1 4.2Å; L140-I159 HydrophobicContact CD2-CG1 4.49Å
141	N	90.2	Very high	88.2	Confident	8 Å²	8	47 Å²	47	4%	0.043	22%	0.221	C	C	.	.	I	π-helix	trans	-56.9	-52	175.2	-76.2	-28.8	0	0	0	111.6	N134 C137 A138 H143 R146 E158 I159	N134-N141 PolarHBondContact OD1-ND2 3.38Å; C137-N141 PolarHBondContact O-N 3.31Å; A138-N141 PolarHBondContact O-N 2.96Å; N141-H143 PolarHBondContact O-N 2.91Å; N141-R146 WeakPolarHBondContact O-CB 3.28Å; N141-R146 PolarHBondContact O-N 2.92Å; N141-E158 WeakPolarHBondContact OD1-CA 3.34Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.43Å; N141-I159 PolarHBondContact OD1-N 2.59Å
142	R	87.2	Confident	87.3	Confident	180 Å²	180	45.3 Å²	45.3	68%	0.679	23%	0.23	S	C	*	.	I	π-helix	trans	-65.6	-35	-173	-173.9	176.6	-178.7	177.5	0.3	114	A138 Y139	A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 2.85Å; Y139-R142 PolarHBondContact O-N 2.89Å
143	H	86.5	Confident	86.5	Confident	78 Å²	78	47.6 Å²	47.6	36%	0.361	24%	0.235	S	C	.	.	I	π-helix	trans	-114.4	-34.7	-167.7	-68.4	-75.6	0	0	0	115	Y139 N141 R147	Y139-H143 AromaticContact CD2-CD2 3.52Å; Y139-H143 AromaticContact CD2-NE2 3.85Å; Y139-H143 HydrophobicContact CE1-CB 4.43Å; Y139-H143 AromaticContact CE1-CD2 3.89Å; Y139-H143 AromaticContact CE2-CD2 3.26Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.48Å; Y139-H143 AromaticContact CE2-NE2 3.39Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.42Å; Y139-H143 AromaticContact CG-CD2 3.95Å; Y139-H143 AromaticContact CZ-CD2 3.46Å; Y139-H143 VanDerWaalsContact CZ-CD2 3.46Å; Y139-H143 AromaticContact CZ-NE2 3.89Å; Y139-H143 PolarHBondContact O-CD2 2.83Å; Y139-H143 PolarHBondContact O-N 3.41Å; Y139-H143 VanDerWaalsContact O-N 3.16Å; N141-H143 PolarHBondContact O-N 2.91Å; H143-R147 PolarHBondContact O-NE 3.26Å; H143-R147 PolarHBondContact O-NH2 2.96Å
144	W	88.5	Confident	85.6	Confident	6 Å²	6	56.8 Å²	56.8	2%	0.023	27%	0.274	C	S	.	.	I	π-helix	trans	-99.4	-59.1	-179.8	-177.6	81.2	0	0	0	110.6	Q82 L86 Y89 L140 R146 R147 E148 I156	Q82-W144 PolarHBondContact O-NE1 2.9Å; L86-W144 HydrophobicContact CB-CH2 4.38Å; L86-W144 HydrophobicContact CB-CZ2 3.65Å; L86-W144 HydrophobicContact CD1-CH2 3.98Å; L86-W144 HydrophobicContact CD1-CZ2 3.86Å; L86-W144 HydrophobicContact CG-CZ2 4.37Å; L86-W144 VanDerWaalsContact N-CE2 3.32Å; L86-W144 VanDerWaalsContact N-CZ2 3.34Å; Y89-W144 VanDerWaalsContact CB-CZ3 3.48Å; Y89-W144 HydrophobicContact CD1-CH2 4.19Å; Y89-W144 HydrophobicContact CD1-CZ3 4.19Å; Y89-W144 HydrophobicContact CD2-CH2 4.46Å; Y89-W144 AromaticContact CD2-CZ3 3.66Å; Y89-W144 HydrophobicContact CD2-CZ3 3.66Å; Y89-W144 HydrophobicContact CE2-CZ3 4.41Å; Y89-W144 AromaticContact CG-CH2 3.9Å; Y89-W144 HydrophobicContact CG-CH2 3.9Å; Y89-W144 AromaticContact CG-CZ3 3.51Å; Y89-W144 HydrophobicContact CG-CZ3 3.51Å; L140-W144 HydrophobicContact CD1-CB 3.81Å; L140-W144 HydrophobicContact CD1-CD2 4.23Å; L140-W144 HydrophobicContact CD1-CE3 4Å; L140-W144 HydrophobicContact CD1-CG 4.18Å; L140-W144 HydrophobicContact CG-CE3 4.34Å; L140-W144 PolarHBondContact O-N 2.69Å; W144-R146 VanDerWaalsContact C-N 3.34Å; W144-R146 PolarHBondContact O-N 3.38Å; W144-R147 PolarHBondContact O-N 2.72Å; W144-R147 VanDerWaalsContact O-N 3.14Å; W144-E148 HydrophobicContact CD2-CG 3.92Å; W144-E148 HydrophobicContact CE3-CG 4.38Å; W144-E148 HydrophobicContact CG-CG 4.36Å; W144-E148 HydrophobicContact CH2-CG 4.17Å; W144-E148 HydrophobicContact CZ2-CG 3.67Å; W144-E148 HydrophobicContact CZ3-CG 4.49Å; W144-E148 WeakPolarHBondContact O-CG 3.45Å; W144-E148 PolarHBondContact O-N 2.95Å; W144-I156 HydrophobicContact CH2-CD1 4.04Å; W144-I156 HydrophobicContact CH2-CG2 4.2Å; W144-I156 HydrophobicContact CZ2-CD1 4.48Å; W144-I156 HydrophobicContact CZ3-CG2 4.01Å
145	V	85.8	Confident	84.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	28%	0.283	C	S	.	.	I	π-helix	trans	-55.5	-50.4	-178.7	176.2	0	0	0	0	110.6	Y89 L140 R147 E148 C149 I156 Y157 E158	Y89-V145 HydrophobicContact CD2-CG2 4.35Å; Y89-V145 HydrophobicContact CE2-CG2 4.42Å; L140-V145 HydrophobicContact CG-CG2 4.4Å; L140-V145 PolarHBondContact O-N 3.26Å; V145-R147 VanDerWaalsContact C-N 3.3Å; V145-R147 PolarHBondContact O-N 3.36Å; V145-E148 WeakPolarHBondContact O-CB 3.49Å; V145-E148 PolarHBondContact O-N 2.9Å; V145-E148 VanDerWaalsContact O-N 3.09Å; V145-C149 PolarHBondContact O-N 2.94Å; V145-C149 PolarHBondContact O-SG 2.94Å; V145-I156 HydrophobicContact CG1-CG2 4.21Å; V145-Y157 WeakPolarHBondContact CG1-O 3.46Å; V145-E158 HydrophobicContact CG1-CG 4.3Å
146	R	83.9	Confident	84.6	Confident	138 Å²	138	56.8 Å²	56.8	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-54.3	-46.1	179.9	-175.4	171.7	-175.6	166.7	3.5	112.8	N141 W144 C149 D150 F219	N141-R146 WeakPolarHBondContact O-CB 3.28Å; N141-R146 PolarHBondContact O-N 2.92Å; W144-R146 VanDerWaalsContact C-N 3.34Å; W144-R146 PolarHBondContact O-N 3.38Å; R146-C149 PolarHBondContact O-N 3.42Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.29Å; R146-F219 HydrophobicContact CB-CZ 4.48Å; R146-F219 HydrophobicContact CG-CE1 4.1Å; R146-F219 HydrophobicContact CG-CZ 3.84Å
147	R	83.8	Confident	84.3	Confident	80 Å²	80	58.6 Å²	58.6	30%	0.302	29%	0.286	S	S	.	.	H	α-helix	trans	-64.4	-41.1	178.3	168	174.2	27.1	146.2	-1.1	112	H143 W144 V145 C149 D150 E151	H143-R147 PolarHBondContact O-NE 3.26Å; H143-R147 PolarHBondContact O-NH2 2.96Å; W144-R147 PolarHBondContact O-N 2.72Å; W144-R147 VanDerWaalsContact O-N 3.14Å; V145-R147 VanDerWaalsContact C-N 3.3Å; V145-R147 PolarHBondContact O-N 3.36Å; R147-C149 VanDerWaalsContact C-N 3.35Å; R147-D150 PolarHBondContact O-N 2.91Å; R147-E151 WeakPolarHBondContact O-CB 3.37Å; R147-E151 VanDerWaalsContact O-CG 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.42Å; R147-E151 PolarHBondContact O-N 3.47Å
148	E	83.9	Confident	84.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-38.9	179	-63	-84.6	133	0	0	111.7	Q82 W144 V145 E151 R153 I156	Q82-E148 WeakPolarHBondContact CG-OE1 3.41Å; W144-E148 HydrophobicContact CD2-CG 3.92Å; W144-E148 HydrophobicContact CE3-CG 4.38Å; W144-E148 HydrophobicContact CG-CG 4.36Å; W144-E148 HydrophobicContact CH2-CG 4.17Å; W144-E148 HydrophobicContact CZ2-CG 3.67Å; W144-E148 HydrophobicContact CZ3-CG 4.49Å; W144-E148 WeakPolarHBondContact O-CG 3.45Å; W144-E148 PolarHBondContact O-N 2.95Å; V145-E148 WeakPolarHBondContact O-CB 3.49Å; V145-E148 PolarHBondContact O-N 2.9Å; V145-E148 VanDerWaalsContact O-N 3.09Å; E148-E151 PolarHBondContact O-N 3.48Å; E148-R153 VanDerWaalsContact CD-NH1 3.29Å; E148-R153 PolarHBondContact O-N 2.96Å; E148-R153 IonicContact OE1-CZ 2.96Å; E148-R153 VanDerWaalsContact OE1-CZ 3.24Å; E148-R153 IonicContact OE1-NH1 3.16Å; E148-R153 PolarHBondContact OE1-NH1 3.47Å; E148-R153 IonicContact OE1-NH2 2.72Å; E148-R153 PolarHBondContact OE1-NH2 3.18Å; E148-R153 IonicContact OE2-CZ 2.8Å; E148-R153 IonicContact OE2-NE 3.04Å; E148-R153 PolarHBondContact OE2-NE 3.07Å; E148-R153 IonicContact OE2-NH1 3.82Å; E148-R153 PolarHBondContact OE2-NH1 3.37Å; E148-R153 IonicContact OE2-NH2 3.24Å; E148-R153 PolarHBondContact OE2-NH2 2.69Å; E148-R153 VanDerWaalsContact OE2-NH2 3.16Å; E148-I156 HydrophobicContact CB-CD1 3.85Å; E148-I156 HydrophobicContact CB-CG2 4.21Å; E148-I156 HydrophobicContact CG-CD1 4.26Å; E148-I156 VanDerWaalsContact OE2-CD1 3.3Å; E148-I156 WeakPolarHBondContact OE2-CD1 3.48Å
149	C	80.3	Confident	84.1	Confident	23 Å²	23	60.5 Å²	60.5	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-44.9	172.2	-63.6	0	0	0	0	111.4	V145 R146 R147 E151 G152 A218 F219	V145-C149 PolarHBondContact O-N 2.94Å; V145-C149 PolarHBondContact O-SG 2.94Å; R146-C149 PolarHBondContact O-N 3.42Å; R147-C149 VanDerWaalsContact C-N 3.35Å; C149-E151 VanDerWaalsContact C-N 3.25Å; C149-E151 PolarHBondContact O-N 2.77Å; C149-G152 PolarHBondContact O-N 3.28Å; C149-A218 HydrophobicContact CB-CB 4.47Å; C149-F219 HydrophobicContact CB-CE2 3.91Å; C149-F219 HydrophobicContact CB-CZ 3.92Å
150	D	81	Confident	84.2	Confident	109 Å²	109	60.5 Å²	60.5	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-30.4	177.7	-67.4	-19.1	0	0	0	112.2	R146 R147 G152 F219	R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.29Å; R147-D150 PolarHBondContact O-N 2.91Å; D150-G152 PolarHBondContact O-N 3.39Å; D150-F219 WeakPolarHBondContact OD1-CE2 3.5Å
151	E	82.5	Confident	84.2	Confident	99 Å²	99	61.7 Å²	61.7	46%	0.463	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.7	173.5	-73.8	175.3	-171.4	0	0	113.6	R147 E148 C149 R153	R147-E151 WeakPolarHBondContact O-CB 3.37Å; R147-E151 VanDerWaalsContact O-CG 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.42Å; R147-E151 PolarHBondContact O-N 3.47Å; E148-E151 PolarHBondContact O-N 3.48Å; C149-E151 VanDerWaalsContact C-N 3.25Å; C149-E151 PolarHBondContact O-N 2.77Å; E151-R153 IonicContact OE2-CZ 2.83Å; E151-R153 IonicContact OE2-NE 2.82Å; E151-R153 IonicContact OE2-NH2 3.67Å; E151-R153 PolarHBondContact OE2-NH2 3.09Å
152	G	73.9	Confident	84.2	Confident	57 Å²	57	61.4 Å²	61.4	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	17.6	174.8	0	0	0	0	0	114.8	C149 D150 K154	C149-G152 PolarHBondContact O-N 3.28Å; D150-G152 PolarHBondContact O-N 3.39Å; G152-K154 PolarHBondContact O-N 3.28Å
153	R	75.6	Confident	84.5	Confident	84 Å²	84	52.9 Å²	52.9	32%	0.317	26%	0.262	S	S	.	.			trans	-75.5	110.5	176.8	-98.4	-178.2	-93	163.7	13.2	111	E148 E151 I156	E148-R153 VanDerWaalsContact CD-NH1 3.29Å; E148-R153 PolarHBondContact O-N 2.96Å; E148-R153 IonicContact OE1-CZ 2.96Å; E148-R153 VanDerWaalsContact OE1-CZ 3.24Å; E148-R153 IonicContact OE1-NH1 3.16Å; E148-R153 PolarHBondContact OE1-NH1 3.47Å; E148-R153 IonicContact OE1-NH2 2.72Å; E148-R153 PolarHBondContact OE1-NH2 3.18Å; E148-R153 IonicContact OE2-CZ 2.8Å; E148-R153 IonicContact OE2-NE 3.04Å; E148-R153 PolarHBondContact OE2-NE 3.07Å; E148-R153 IonicContact OE2-NH1 3.82Å; E148-R153 PolarHBondContact OE2-NH1 3.37Å; E148-R153 IonicContact OE2-NH2 3.24Å; E148-R153 PolarHBondContact OE2-NH2 2.69Å; E148-R153 VanDerWaalsContact OE2-NH2 3.16Å; E151-R153 IonicContact OE2-CZ 2.83Å; E151-R153 IonicContact OE2-NE 2.82Å; E151-R153 IonicContact OE2-NH2 3.67Å; E151-R153 PolarHBondContact OE2-NH2 3.09Å; R153-I156 HydrophobicContact CB-CD1 4.18Å
154	K	74	Confident	84.8	Confident	195 Å²	195	49.5 Å²	49.5	85%	0.848	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	146.3	176.8	-61.7	-165	175.9	-159.9	0	111.8	G152	G152-K154 PolarHBondContact O-N 3.28Å
155	G	77.8	Confident	84.9	Confident	37 Å²	37	49.8 Å²	49.8	38%	0.381	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	7.9	176.8	0	0	0	0	0	115.4
156	I	85.5	Confident	85.2	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.108	25%	0.251	C	S	.	.			trans	-106.9	130.5	170	-56.4	-176.3	0	0	0	107.9	Y89 W144 V145 E148 R153	Y89-I156 HydrophobicContact CE1-CG2 4.44Å; Y89-I156 HydrophobicContact CE2-CG2 4.39Å; W144-I156 HydrophobicContact CH2-CD1 4.04Å; W144-I156 HydrophobicContact CH2-CG2 4.2Å; W144-I156 HydrophobicContact CZ2-CD1 4.48Å; W144-I156 HydrophobicContact CZ3-CG2 4.01Å; V145-I156 HydrophobicContact CG1-CG2 4.21Å; E148-I156 HydrophobicContact CB-CD1 3.85Å; E148-I156 HydrophobicContact CB-CG2 4.21Å; E148-I156 HydrophobicContact CG-CD1 4.26Å; E148-I156 VanDerWaalsContact OE2-CD1 3.3Å; E148-I156 WeakPolarHBondContact OE2-CD1 3.48Å; R153-I156 HydrophobicContact CB-CD1 4.18Å
157	Y	86.3	Confident	85.8	Confident	38 Å²	38	43.5 Å²	43.5	15%	0.149	23%	0.227	C	C	.	.			trans	-133.2	159	-174.3	-55.2	-78.4	0	0	0	109.5	Y89 V145 V165	Y89-Y157 VanDerWaalsContact CE2-O 3.23Å; Y89-Y157 WeakPolarHBondContact CE2-O 3.15Å; Y89-Y157 PolarHBondContact OH-N 3.16Å; Y89-Y157 PolarHBondContact OH-O 3.42Å; V145-Y157 WeakPolarHBondContact CG1-O 3.46Å; Y157-V165 HydrophobicContact CD2-CG2 4.22Å; Y157-V165 HydrophobicContact CE2-CG2 4.04Å
158	E	88.8	Confident	86.2	Confident	80 Å²	80	41.2 Å²	41.2	37%	0.374	22%	0.218	S	C	.	.			trans	-56.7	150.3	163	-71.5	-165.4	161.4	0	0	110.5	N141 V145 Y160 S161 L162	N141-E158 WeakPolarHBondContact OD1-CA 3.34Å; V145-E158 HydrophobicContact CG1-CG 4.3Å; E158-Y160 PolarHBondContact O-N 2.89Å; E158-Y160 VanDerWaalsContact O-N 3.16Å; E158-S161 CarbonylContact O-C 3.55Å; E158-S161 WeakPolarHBondContact O-CA 3.36Å; E158-S161 WeakPolarHBondContact O-CB 3.37Å; E158-S161 PolarHBondContact O-N 2.7Å; E158-L162 PolarHBondContact O-N 2.7Å
159	I	91.8	Very high	86.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-36.4	-172.4	-65.9	-60.6	0	0	0	112.9	Y89 L92 L133 C137 L140 N141 L162 A163	Y89-I159 HydrophobicContact CD2-CD1 3.69Å; Y89-I159 HydrophobicContact CE2-CD1 3.83Å; L92-I159 HydrophobicContact CD1-CD1 3.82Å; L133-I159 HydrophobicContact CD2-CG2 3.92Å; L133-I159 HydrophobicContact CG-CG2 3.78Å; C137-I159 HydrophobicContact CB-CB 4.36Å; C137-I159 HydrophobicContact CB-CG1 3.76Å; C137-I159 HydrophobicContact CB-CG2 4.44Å; L140-I159 HydrophobicContact CD2-CD1 4.2Å; L140-I159 HydrophobicContact CD2-CG1 4.49Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.43Å; N141-I159 PolarHBondContact OD1-N 2.59Å; I159-L162 HydrophobicContact CD1-CD2 4.15Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.21Å; I159-A163 PolarHBondContact O-N 3.11Å
160	Y	92	Very high	87.1	Confident	37 Å²	37	44 Å²	44	15%	0.145	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-47.5	172.8	-173.7	-112.8	0	0	0	112.1	R127 K131 N134 E158 L162 A163 L164 E210	R127-Y160 WeakPolarHBondContact CG-OH 3.41Å; K131-Y160 HydrophobicContact CD-CE2 4.39Å; K131-Y160 WeakPolarHBondContact CE-OH 3.39Å; K131-Y160 HydrophobicContact CG-CD2 3.85Å; K131-Y160 HydrophobicContact CG-CE2 3.47Å; K131-Y160 VanDerWaalsContact CG-CE2 3.47Å; N134-Y160 PolarHBondContact OD1-N 3.34Å; E158-Y160 PolarHBondContact O-N 2.89Å; E158-Y160 VanDerWaalsContact O-N 3.16Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 2.94Å; Y160-A163 WeakPolarHBondContact O-CA 3.3Å; Y160-A163 WeakPolarHBondContact O-CB 3.42Å; Y160-A163 PolarHBondContact O-N 3.16Å; Y160-L164 HydrophobicContact CD1-CD1 3.91Å; Y160-L164 HydrophobicContact CD1-CG 4.38Å; Y160-L164 HydrophobicContact CE1-CD1 3.62Å; Y160-L164 HydrophobicContact CE1-CD2 4.39Å; Y160-L164 HydrophobicContact CE1-CG 4.13Å; Y160-L164 WeakPolarHBondContact O-CG 3.42Å; Y160-L164 PolarHBondContact O-N 3.42Å; Y160-E210 PolarHBondContact OH-OE2 2.87Å
161	S	89.1	Confident	87.7	Confident	25 Å²	25	38.8 Å²	38.8	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-36.7	176.3	-60.6	0	0	0	0	112.1	E158 A163 L164 V165	E158-S161 CarbonylContact O-C 3.55Å; E158-S161 WeakPolarHBondContact O-CA 3.36Å; E158-S161 WeakPolarHBondContact O-CB 3.37Å; E158-S161 PolarHBondContact O-N 2.7Å; S161-A163 VanDerWaalsContact C-N 3.33Å; S161-A163 PolarHBondContact O-N 3.39Å; S161-L164 WeakPolarHBondContact O-CB 3.29Å; S161-L164 PolarHBondContact O-N 3.29Å; S161-V165 WeakPolarHBondContact O-CG2 3.48Å; S161-V165 PolarHBondContact O-N 3.42Å
162	L	90.8	Very high	88.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-44.4	170.6	173.5	65	0	0	0	111	Y89 K93 L96 E158 I159 Y160 L164 V165 T166	Y89-L162 HydrophobicContact CD2-CD2 4.36Å; Y89-L162 HydrophobicContact CE1-CD2 4.29Å; Y89-L162 HydrophobicContact CE2-CD2 3.76Å; K93-L162 HydrophobicContact CB-CD1 4.27Å; K93-L162 HydrophobicContact CB-CD2 4.03Å; K93-L162 HydrophobicContact CD-CD1 3.95Å; K93-L162 HydrophobicContact CG-CD1 3.96Å; L96-L162 HydrophobicContact CD1-CD2 4.22Å; L96-L162 HydrophobicContact CD1-CG 4.2Å; E158-L162 PolarHBondContact O-N 2.7Å; I159-L162 HydrophobicContact CD1-CD2 4.15Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.21Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 2.94Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.31Å; L162-V165 PolarHBondContact O-N 3.15Å; L162-T166 WeakPolarHBondContact O-CB 3.5Å; L162-T166 PolarHBondContact O-N 2.79Å; L162-T166 PolarHBondContact O-OG1 3.26Å
163	A	93.2	Very high	89.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-40.2	177	0	0	0	0	0	111.8	L96 Y126 S130 I159 Y160 S161 T166 W167	L96-A163 HydrophobicContact CD1-CB 4.17Å; Y126-A163 HydrophobicContact CE1-CB 4.07Å; Y126-A163 WeakPolarHBondContact CE1-O 3.48Å; Y126-A163 WeakPolarHBondContact OH-CA 3.23Å; Y126-A163 PolarHBondContact OH-O 2.99Å; S130-A163 WeakPolarHBondContact OG-CB 3.1Å; I159-A163 PolarHBondContact O-N 3.11Å; Y160-A163 WeakPolarHBondContact O-CA 3.3Å; Y160-A163 WeakPolarHBondContact O-CB 3.42Å; Y160-A163 PolarHBondContact O-N 3.16Å; S161-A163 VanDerWaalsContact C-N 3.33Å; S161-A163 PolarHBondContact O-N 3.39Å; A163-T166 PolarHBondContact O-N 3.41Å; A163-W167 PolarHBondContact O-N 2.96Å
164	L	92.4	Very high	89.9	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-46.7	174.2	-66.7	177.1	0	0	0	112.3	W123 Y160 S161 L162 T166 W167 R168 L211 L213	W123-L164 HydrophobicContact CH2-CD2 3.45Å; W123-L164 VanDerWaalsContact CH2-CD2 3.45Å; W123-L164 HydrophobicContact CZ2-CD2 4.4Å; W123-L164 HydrophobicContact CZ3-CD2 4.09Å; Y160-L164 HydrophobicContact CD1-CD1 3.91Å; Y160-L164 HydrophobicContact CD1-CG 4.38Å; Y160-L164 HydrophobicContact CE1-CD1 3.62Å; Y160-L164 HydrophobicContact CE1-CD2 4.39Å; Y160-L164 HydrophobicContact CE1-CG 4.13Å; Y160-L164 WeakPolarHBondContact O-CG 3.42Å; Y160-L164 PolarHBondContact O-N 3.42Å; S161-L164 WeakPolarHBondContact O-CB 3.29Å; S161-L164 PolarHBondContact O-N 3.29Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.31Å; L164-T166 VanDerWaalsContact C-N 3.27Å; L164-T166 PolarHBondContact O-N 3.17Å; L164-W167 PolarHBondContact O-N 3.1Å; L164-R168 WeakPolarHBondContact O-CB 3.46Å; L164-R168 PolarHBondContact O-N 3.2Å; L164-L211 HydrophobicContact CB-CD2 4.43Å; L164-L211 HydrophobicContact CD2-CD2 4.44Å; L164-L211 WeakPolarHBondContact O-CD2 3.18Å; L164-L213 HydrophobicContact CB-CD1 3.96Å; L164-L213 HydrophobicContact CD1-CD2 3.87Å
165	V	90.8	Very high	90.8	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-41.3	174.7	172.8	0	0	0	0	110.8	Y157 S161 L162 R168 D169 L213	Y157-V165 HydrophobicContact CD2-CG2 4.22Å; Y157-V165 HydrophobicContact CE2-CG2 4.04Å; S161-V165 WeakPolarHBondContact O-CG2 3.48Å; S161-V165 PolarHBondContact O-N 3.42Å; L162-V165 PolarHBondContact O-N 3.15Å; V165-R168 WeakPolarHBondContact O-CB 3.19Å; V165-R168 PolarHBondContact O-N 3.28Å; V165-D169 PolarHBondContact O-N 3.15Å; V165-L213 HydrophobicContact CG2-CD1 3.51Å
166	T	92.6	Very high	91.5	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-68.4	-39.7	179.7	-44.2	0	0	0	0	111.2	L96 K97 L100 L162 A163 L164 R168 D169 C170	L96-T166 HydrophobicContact CB-CG2 4.07Å; K97-T166 HydrophobicContact CB-CG2 4.15Å; L100-T166 VanDerWaalsContact CD1-C 3.48Å; L100-T166 HydrophobicContact CD1-CG2 3.74Å; L100-T166 WeakPolarHBondContact CD1-O 3.48Å; L162-T166 WeakPolarHBondContact O-CB 3.5Å; L162-T166 PolarHBondContact O-N 2.79Å; L162-T166 PolarHBondContact O-OG1 3.26Å; A163-T166 PolarHBondContact O-N 3.41Å; L164-T166 VanDerWaalsContact C-N 3.27Å; L164-T166 PolarHBondContact O-N 3.17Å; T166-R168 VanDerWaalsContact C-N 3.34Å; T166-D169 PolarHBondContact O-N 3.24Å; T166-C170 VanDerWaalsContact O-CB 3.28Å; T166-C170 WeakPolarHBondContact O-CB 3.24Å; T166-C170 PolarHBondContact O-N 3.28Å
167	W	95.2	Very high	91.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-44.7	171.1	-179.5	-86	0	0	0	111.6	L100 Y119 Q122 W123 Y126 A163 L164 D169 L171 F172 L211	L100-W167 HydrophobicContact CD1-CB 4.4Å; L100-W167 HydrophobicContact CD2-CE3 3.55Å; L100-W167 HydrophobicContact CD2-CZ3 3.89Å; Y119-W167 HydrophobicContact CD2-CZ2 4.24Å; Y119-W167 HydrophobicContact CE1-CZ2 4.34Å; Y119-W167 AromaticContact CE2-CZ2 3.81Å; Y119-W167 HydrophobicContact CE2-CZ2 3.81Å; Y119-W167 AromaticContact CZ-CZ2 3.86Å; Y119-W167 AromaticContact CZ-NE1 3.62Å; Y119-W167 PolarHBondContact OH-NE1 3.02Å; Q122-W167 HydrophobicContact CB-CH2 3.87Å; Q122-W167 HydrophobicContact CB-CZ3 4.43Å; W123-W167 HydrophobicContact CB-CH2 4.02Å; W123-W167 HydrophobicContact CB-CZ2 3.76Å; W123-W167 HydrophobicContact CD2-CZ2 4.42Å; W123-W167 AromaticContact CE3-CD1 3.86Å; W123-W167 AromaticContact CE3-CD2 3.64Å; W123-W167 HydrophobicContact CE3-CD2 3.64Å; W123-W167 AromaticContact CE3-CE2 3.38Å; W123-W167 HydrophobicContact CE3-CE3 4.23Å; W123-W167 AromaticContact CE3-CG 3.95Å; W123-W167 HydrophobicContact CE3-CG 3.95Å; W123-W167 HydrophobicContact CE3-CH2 4.36Å; W123-W167 AromaticContact CE3-CZ2 3.77Å; W123-W167 HydrophobicContact CE3-CZ2 3.77Å; W123-W167 AromaticContact CE3-NE1 3.47Å; W123-W167 HydrophobicContact CG-CZ2 4.47Å; W123-W167 HydrophobicContact CZ3-CB 4.3Å; W123-W167 AromaticContact CZ3-CD1 3.57Å; W123-W167 AromaticContact CZ3-CD2 3.87Å; W123-W167 HydrophobicContact CZ3-CD2 3.87Å; W123-W167 AromaticContact CZ3-CE2 3.92Å; W123-W167 AromaticContact CZ3-CG 3.66Å; W123-W167 HydrophobicContact CZ3-CG 3.66Å; W123-W167 AromaticContact CZ3-NE1 3.67Å; Y126-W167 HydrophobicContact CD1-CB 4.31Å; Y126-W167 HydrophobicContact CD1-CD2 4.12Å; Y126-W167 AromaticContact CD1-CE3 3.4Å; Y126-W167 HydrophobicContact CD1-CE3 3.4Å; Y126-W167 VanDerWaalsContact CD1-CE3 3.4Å; Y126-W167 HydrophobicContact CD1-CZ3 4.06Å; Y126-W167 HydrophobicContact CD2-CE3 4.14Å; Y126-W167 HydrophobicContact CD2-CZ3 4.37Å; Y126-W167 HydrophobicContact CE1-CB 3.82Å; Y126-W167 HydrophobicContact CE1-CD2 4.47Å; Y126-W167 AromaticContact CE1-CE3 3.93Å; Y126-W167 HydrophobicContact CE1-CE3 3.93Å; Y126-W167 HydrophobicContact CE1-CG 4.48Å; Y126-W167 AromaticContact CG-CE3 3.52Å; Y126-W167 HydrophobicContact CG-CE3 3.52Å; Y126-W167 AromaticContact CG-CZ3 3.75Å; Y126-W167 HydrophobicContact CG-CZ3 3.75Å; A163-W167 PolarHBondContact O-N 2.96Å; L164-W167 PolarHBondContact O-N 3.1Å; W167-D169 VanDerWaalsContact C-N 3.33Å; W167-D169 PolarHBondContact O-N 2.92Å; W167-L171 HydrophobicContact CD2-CB 4.25Å; W167-L171 HydrophobicContact CE3-CB 4.39Å; W167-L171 HydrophobicContact CE3-CD1 4.43Å; W167-L171 HydrophobicContact CH2-CD1 4.27Å; W167-L171 HydrophobicContact CH2-CD2 3.7Å; W167-L171 HydrophobicContact CH2-CG 4.46Å; W167-L171 HydrophobicContact CZ2-CD2 3.69Å; W167-L171 HydrophobicContact CZ3-CD1 4.03Å; W167-L171 HydrophobicContact CZ3-CD2 4.25Å; W167-L171 PolarHBondContact O-N 3.18Å; W167-F172 PolarHBondContact O-N 3.1Å; W167-L211 HydrophobicContact CB-CD2 4.28Å; W167-L211 HydrophobicContact CG-CD2 4.28Å
168	R	92.4	Very high	92.1	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	17%	0.17	C	C	.	.	I	π-helix	trans	-55.2	-49.1	177.7	-168.1	179.8	64.1	-178.5	0.3	111.3	L164 V165 T166 F172 R173 L211 E215	L164-R168 WeakPolarHBondContact O-CB 3.46Å; L164-R168 PolarHBondContact O-N 3.2Å; V165-R168 WeakPolarHBondContact O-CB 3.19Å; V165-R168 PolarHBondContact O-N 3.28Å; T166-R168 VanDerWaalsContact C-N 3.34Å; R168-F172 HydrophobicContact CG-CD1 4.04Å; R168-R173 WeakPolarHBondContact O-CB 3.34Å; R168-R173 WeakPolarHBondContact O-CG 3.3Å; R168-R173 PolarHBondContact O-N 2.87Å; R168-L211 HydrophobicContact CB-CD2 4.08Å; R168-E215 IonicContact CZ-OE1 3.16Å; R168-E215 VanDerWaalsContact CZ-OE1 3.22Å; R168-E215 IonicContact NH1-OE1 2.59Å; R168-E215 PolarHBondContact NH1-OE1 3.47Å; R168-E215 IonicContact NH2-OE1 3.42Å; R168-E215 PolarHBondContact NH2-OE1 2.87Å
169	D	91.4	Very high	92.4	Very high	63 Å²	63	31.9 Å²	31.9	34%	0.337	15%	0.152	S	C	.	.	I	π-helix	trans	-77.6	-38.9	-174.1	-69.9	-24.4	0	0	0	113	V165 T166 W167 R173	V165-D169 PolarHBondContact O-N 3.15Å; T166-D169 PolarHBondContact O-N 3.24Å; W167-D169 VanDerWaalsContact C-N 3.33Å; W167-D169 PolarHBondContact O-N 2.92Å; D169-R173 IonicContact OD1-CZ 3.39Å; D169-R173 VanDerWaalsContact OD1-CZ 3.27Å; D169-R173 IonicContact OD1-NH1 3.35Å; D169-R173 PolarHBondContact OD1-NH1 3.09Å; D169-R173 IonicContact OD1-NH2 2.8Å
170	C	93.1	Very high	92.6	Very high	18 Å²	18	32.2 Å²	32.2	12%	0.122	15%	0.154	C	C	.	.	I	π-helix	trans	-96.2	-26	-171	-66.5	0	0	0	0	114.8	L100 T166	L100-C170 HydrophobicContact CB-CB 3.72Å; L100-C170 HydrophobicContact CD1-CB 4.25Å; T166-C170 VanDerWaalsContact O-CB 3.28Å; T166-C170 WeakPolarHBondContact O-CB 3.24Å; T166-C170 PolarHBondContact O-N 3.28Å
171	L	93.1	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-128.1	-45.5	-171	-144.2	141.5	0	0	0	112.5	L100 L103 Y119 W167 L175	L100-L171 HydrophobicContact CD2-CD1 3.74Å; L103-L171 HydrophobicContact CB-CD1 4.19Å; L103-L171 HydrophobicContact CD2-CD1 3.77Å; L103-L171 HydrophobicContact CG-CD1 3.99Å; Y119-L171 HydrophobicContact CD2-CD2 3.93Å; Y119-L171 HydrophobicContact CE2-CD2 3.94Å; W167-L171 HydrophobicContact CD2-CB 4.25Å; W167-L171 HydrophobicContact CE3-CB 4.39Å; W167-L171 HydrophobicContact CE3-CD1 4.43Å; W167-L171 HydrophobicContact CH2-CD1 4.27Å; W167-L171 HydrophobicContact CH2-CD2 3.7Å; W167-L171 HydrophobicContact CH2-CG 4.46Å; W167-L171 HydrophobicContact CZ2-CD2 3.69Å; W167-L171 HydrophobicContact CZ3-CD1 4.03Å; W167-L171 HydrophobicContact CZ3-CD2 4.25Å; W167-L171 PolarHBondContact O-N 3.18Å; L171-L175 HydrophobicContact CD2-CD1 3.83Å; L171-L175 HydrophobicContact CG-CD1 4.41Å; L171-L175 WeakPolarHBondContact O-CB 3.38Å; L171-L175 PolarHBondContact O-N 3.43Å
172	F	93.4	Very high	93	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.035	16%	0.163	C	C	.	.	I	π-helix	trans	-65	-55.7	174.6	168.4	-94.1	0	0	0	112.2	W167 R168 L175 N176 Y208 L211 V227	W167-F172 PolarHBondContact O-N 3.1Å; R168-F172 HydrophobicContact CG-CD1 4.04Å; F172-L175 PolarHBondContact O-N 3.2Å; F172-L175 VanDerWaalsContact O-N 3.15Å; F172-N176 HydrophobicContact CD2-CB 4.17Å; F172-N176 HydrophobicContact CE1-CB 4.24Å; F172-N176 HydrophobicContact CE2-CB 3.9Å; F172-N176 HydrophobicContact CG-CB 4.46Å; F172-N176 HydrophobicContact CZ-CB 3.93Å; F172-N176 WeakPolarHBondContact O-CA 3.36Å; F172-N176 WeakPolarHBondContact O-CB 3.18Å; F172-N176 PolarHBondContact O-N 3.33Å; F172-Y208 HydrophobicContact CD2-CD1 4.02Å; F172-Y208 AromaticContact CD2-CE1 3.72Å; F172-Y208 HydrophobicContact CD2-CE1 3.72Å; F172-Y208 AromaticContact CE2-CD1 3.61Å; F172-Y208 HydrophobicContact CE2-CD1 3.61Å; F172-Y208 HydrophobicContact CE2-CD2 4.03Å; F172-Y208 AromaticContact CE2-CE1 3.4Å; F172-Y208 HydrophobicContact CE2-CE1 3.4Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.4Å; F172-Y208 AromaticContact CE2-CE2 3.85Å; F172-Y208 HydrophobicContact CE2-CE2 3.85Å; F172-Y208 AromaticContact CE2-CG 3.93Å; F172-Y208 HydrophobicContact CE2-CG 3.93Å; F172-Y208 AromaticContact CE2-CZ 3.55Å; F172-Y208 HydrophobicContact CZ-CE2 4.49Å; F172-L211 HydrophobicContact CB-CD1 3.92Å; F172-L211 HydrophobicContact CD2-CD1 3.68Å; F172-L211 HydrophobicContact CE2-CD1 4.33Å; F172-L211 HydrophobicContact CG-CD1 3.79Å; F172-V227 HydrophobicContact CE1-CG1 3.83Å; F172-V227 HydrophobicContact CE2-CG1 3.91Å; F172-V227 HydrophobicContact CZ-CG1 3.34Å
173	R	91.7	Very high	93.2	Very high	144 Å²	144	33.6 Å²	33.6	54%	0.543	16%	0.163	S	C	.	.	H	α-helix	trans	-55.9	-42.9	-176.2	-90.8	-175.5	-175.3	147.7	6.9	114.1	R168 D169 N176	R168-R173 WeakPolarHBondContact O-CB 3.34Å; R168-R173 WeakPolarHBondContact O-CG 3.3Å; R168-R173 PolarHBondContact O-N 2.87Å; D169-R173 IonicContact OD1-CZ 3.39Å; D169-R173 VanDerWaalsContact OD1-CZ 3.27Å; D169-R173 IonicContact OD1-NH1 3.35Å; D169-R173 PolarHBondContact OD1-NH1 3.09Å; D169-R173 IonicContact OD1-NH2 2.8Å; R173-N176 PolarHBondContact O-OD1 3.13Å
174	P	92.4	Very high	93.4	Very high	62 Å²	62	34 Å²	34	40%	0.403	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-38.9	176.5	-24.5	36.1	0	0	0	113.6	L104	L104-P174 HydrophobicContact CD1-CB 4.02Å; L104-P174 HydrophobicContact CD1-CG 4.42Å; L104-P174 HydrophobicContact CD2-CB 4.13Å; L104-P174 HydrophobicContact CD2-CG 4Å
175	L	93	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-96.8	-12.4	-172	-62.5	178.2	0	0	0	114.4	L104 F118 Y119 L171 F172 K177 Q178 V179	L104-L175 HydrophobicContact CD1-CD1 3.93Å; L104-L175 HydrophobicContact CD1-CD2 4.12Å; L104-L175 HydrophobicContact CD1-CG 3.81Å; F118-L175 HydrophobicContact CE1-CD1 4.21Å; Y119-L175 HydrophobicContact CD2-CD1 4.41Å; L171-L175 HydrophobicContact CD2-CD1 3.83Å; L171-L175 HydrophobicContact CG-CD1 4.41Å; L171-L175 WeakPolarHBondContact O-CB 3.38Å; L171-L175 PolarHBondContact O-N 3.43Å; F172-L175 PolarHBondContact O-N 3.2Å; F172-L175 VanDerWaalsContact O-N 3.15Å; L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 2.99Å; L175-K177 VanDerWaalsContact O-N 3.11Å; L175-Q178 PolarHBondContact O-N 3.35Å; L175-V179 HydrophobicContact CB-CG2 4.01Å; L175-V179 WeakPolarHBondContact O-CG2 3.21Å; L175-V179 PolarHBondContact O-N 2.97Å
176	N	92.5	Very high	93.7	Very high	32 Å²	32	38.6 Å²	38.6	17%	0.171	18%	0.184	C	C	.	.	H	α-helix	trans	-55.5	-39.9	-167.8	72.5	-20.8	0	0	0	113.1	F172 R173 T180 Y208	F172-N176 HydrophobicContact CD2-CB 4.17Å; F172-N176 HydrophobicContact CE1-CB 4.24Å; F172-N176 HydrophobicContact CE2-CB 3.9Å; F172-N176 HydrophobicContact CG-CB 4.46Å; F172-N176 HydrophobicContact CZ-CB 3.93Å; F172-N176 WeakPolarHBondContact O-CA 3.36Å; F172-N176 WeakPolarHBondContact O-CB 3.18Å; F172-N176 PolarHBondContact O-N 3.33Å; R173-N176 PolarHBondContact O-OD1 3.13Å; N176-T180 WeakPolarHBondContact O-CB 3.41Å; N176-T180 PolarHBondContact O-N 2.99Å; N176-T180 PolarHBondContact O-OG1 2.93Å; N176-Y208 PolarHBondContact O-OH 2.97Å
177	K	92.5	Very high	93.8	Very high	160 Å²	160	38.3 Å²	38.3	70%	0.696	18%	0.182	S	C	*	.	H	α-helix	trans	-64.1	-46.6	178.6	-73.2	-176.2	179.6	179.6	0	111.6	L175 N181	L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 2.99Å; L175-K177 VanDerWaalsContact O-N 3.11Å; K177-N181 VanDerWaalsContact O-CB 3.25Å; K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 3.41Å; K177-N181 PolarHBondContact O-ND2 2.95Å
178	Q	92.9	Very high	93.8	Very high	59 Å²	59	40.9 Å²	40.9	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-44.3	-180	-62.1	177	6.8	0	0	110.7	L110 M111 L175 N181 A182	L110-Q178 PolarHBondContact O-OE1 2.79Å; M111-Q178 HydrophobicContact SD-CG 4.2Å; L175-Q178 PolarHBondContact O-N 3.35Å; Q178-N181 PolarHBondContact O-N 3.28Å; Q178-A182 WeakPolarHBondContact O-CB 3.4Å; Q178-A182 PolarHBondContact O-N 3.26Å
179	V	94.7	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-50.7	178	175.1	0	0	0	0	110.7	V115 L116 Y119 L175 N181 A182 V183 V204 Y208	V115-V179 HydrophobicContact CG2-CG2 4Å; L116-V179 HydrophobicContact CD2-CG1 3.94Å; Y119-V179 HydrophobicContact CD1-CG1 4.24Å; Y119-V179 HydrophobicContact CD2-CG2 3.9Å; Y119-V179 HydrophobicContact CE2-CG2 4.49Å; Y119-V179 HydrophobicContact CG-CG1 4.33Å; Y119-V179 HydrophobicContact CG-CG2 4Å; L175-V179 HydrophobicContact CB-CG2 4.01Å; L175-V179 WeakPolarHBondContact O-CG2 3.21Å; L175-V179 PolarHBondContact O-N 2.97Å; V179-N181 PolarHBondContact O-N 3.34Å; V179-A182 PolarHBondContact O-N 2.85Å; V179-A182 VanDerWaalsContact O-N 3.17Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 3.2Å; V179-V204 HydrophobicContact CG1-CB 4.33Å; V179-V204 HydrophobicContact CG1-CG1 3.56Å; V179-V204 HydrophobicContact CG1-CG2 3.69Å; V179-Y208 HydrophobicContact CG1-CE1 4.42Å
180	T	95.3	Very high	94.1	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-47.3	177.2	-65.7	0	0	0	0	110.6	N176 A182 V183 L184 Y208 S231 F232	N176-T180 WeakPolarHBondContact O-CB 3.41Å; N176-T180 PolarHBondContact O-N 2.99Å; N176-T180 PolarHBondContact O-OG1 2.93Å; T180-A182 VanDerWaalsContact C-N 3.31Å; T180-A182 PolarHBondContact O-N 2.96Å; T180-V183 PolarHBondContact O-N 3.21Å; T180-L184 HydrophobicContact CG2-CD1 4.01Å; T180-L184 HydrophobicContact CG2-CG 4.35Å; T180-L184 VanDerWaalsContact O-CG 3.29Å; T180-L184 WeakPolarHBondContact O-CG 3.32Å; T180-L184 PolarHBondContact O-N 2.88Å; T180-Y208 WeakPolarHBondContact OG1-CE2 3.47Å; T180-Y208 PolarHBondContact OG1-OH 3.29Å; T180-S231 WeakPolarHBondContact CG2-O 3.48Å; T180-S231 PolarHBondContact OG1-O 2.93Å; T180-F232 HydrophobicContact CG2-CD2 4.26Å
181	N	94.5	Very high	94.3	Very high	89 Å²	89	42.5 Å²	42.5	48%	0.476	20%	0.198	S	C	.	.	H	α-helix	trans	-60.7	-39.8	177.5	-73.2	-18	0	0	0	112.6	K177 Q178 V179 L184 K185	K177-N181 VanDerWaalsContact O-CB 3.25Å; K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 3.41Å; K177-N181 PolarHBondContact O-ND2 2.95Å; Q178-N181 PolarHBondContact O-N 3.28Å; V179-N181 PolarHBondContact O-N 3.34Å; N181-L184 PolarHBondContact O-N 2.96Å; N181-K185 WeakPolarHBondContact O-CG 3.11Å; N181-K185 PolarHBondContact O-N 2.74Å
182	A	95	Very high	94.3	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-40.6	176.6	0	0	0	0	0	111.9	D112 V115 L116 Q178 V179 T180 L186	D112-A182 WeakPolarHBondContact O-CB 3.02Å; V115-A182 HydrophobicContact CG1-CB 3.94Å; L116-A182 HydrophobicContact CD1-CB 3.86Å; L116-A182 HydrophobicContact CD2-CB 3.88Å; L116-A182 HydrophobicContact CG-CB 3.67Å; Q178-A182 WeakPolarHBondContact O-CB 3.4Å; Q178-A182 PolarHBondContact O-N 3.26Å; V179-A182 PolarHBondContact O-N 2.85Å; V179-A182 VanDerWaalsContact O-N 3.17Å; T180-A182 VanDerWaalsContact C-N 3.31Å; T180-A182 PolarHBondContact O-N 2.96Å; A182-L186 PolarHBondContact O-N 3.22Å
183	V	96	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-47.8	173.5	173.8	0	0	0	0	110.7	L116 V179 T180 K185 L186 I187 I201 V204 F232	L116-V183 HydrophobicContact CD2-CG2 3.55Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 3.2Å; T180-V183 PolarHBondContact O-N 3.21Å; V183-K185 PolarHBondContact O-N 3.1Å; V183-L186 WeakPolarHBondContact O-CB 3.45Å; V183-L186 PolarHBondContact O-N 3.36Å; V183-L186 VanDerWaalsContact O-N 3.08Å; V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.41Å; V183-I187 WeakPolarHBondContact O-CG1 3.39Å; V183-I187 PolarHBondContact O-N 3.03Å; V183-I201 HydrophobicContact CG1-CB 4.49Å; V183-I201 HydrophobicContact CG1-CG1 4.24Å; V183-I201 HydrophobicContact CG1-CG2 3.79Å; V183-V204 HydrophobicContact CG2-CB 4.06Å; V183-V204 HydrophobicContact CG2-CG1 3.92Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; V183-F232 HydrophobicContact CB-CE2 4.28Å; V183-F232 HydrophobicContact CG1-CD2 4.48Å; V183-F232 HydrophobicContact CG1-CE2 3.55Å; V183-F232 HydrophobicContact CG1-CZ 4.17Å
184	L	95.7	Very high	94.4	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-44.3	-179.1	-65.2	174	0	0	0	111.9	T180 N181 L186 I187 E188 F232 Q235 F236 D239	T180-L184 HydrophobicContact CG2-CD1 4.01Å; T180-L184 HydrophobicContact CG2-CG 4.35Å; T180-L184 VanDerWaalsContact O-CG 3.29Å; T180-L184 WeakPolarHBondContact O-CG 3.32Å; T180-L184 PolarHBondContact O-N 2.88Å; N181-L184 PolarHBondContact O-N 2.96Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 3.05Å; L184-I187 PolarHBondContact O-N 2.99Å; L184-E188 PolarHBondContact O-N 2.96Å; L184-F232 HydrophobicContact CD2-CE2 4.27Å; L184-Q235 HydrophobicContact CD1-CB 4.38Å; L184-Q235 HydrophobicContact CD1-CG 3.6Å; L184-F236 HydrophobicContact CD2-CB 3.86Å; L184-F236 HydrophobicContact CD2-CD2 3.99Å; L184-F236 HydrophobicContact CD2-CG 4.45Å; L184-D239 HydrophobicContact CD2-CB 4.47Å
185	K	94.7	Very high	94.4	Very high	104 Å²	104	52 Å²	52	45%	0.452	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-38.5	173.1	-75.4	-177.1	-175.3	179.2	0	112.5	D112 N181 V183 E188 K189	D112-K185 WeakPolarHBondContact OD1-CD 3.18Å; D112-K185 IonicContact OD1-NZ 3Å; D112-K185 PolarHBondContact OD1-NZ 2.84Å; N181-K185 WeakPolarHBondContact O-CG 3.11Å; N181-K185 PolarHBondContact O-N 2.74Å; V183-K185 PolarHBondContact O-N 3.1Å; K185-E188 PolarHBondContact O-N 3.28Å; K185-K189 WeakPolarHBondContact O-CG 3.44Å; K185-K189 PolarHBondContact O-N 3.24Å
186	L	94.8	Very high	94.4	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-42.7	177.4	-133.7	103.6	0	0	0	110.9	E113 L116 A182 V183 L184 K189 E190 I196 I201	E113-L186 HydrophobicContact CG-CD1 4.06Å; L116-L186 HydrophobicContact CD1-CD1 3.81Å; A182-L186 PolarHBondContact O-N 3.22Å; V183-L186 WeakPolarHBondContact O-CB 3.45Å; V183-L186 PolarHBondContact O-N 3.36Å; V183-L186 VanDerWaalsContact O-N 3.08Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 3.05Å; L186-K189 WeakPolarHBondContact O-CB 3.33Å; L186-K189 PolarHBondContact O-N 3.36Å; L186-E190 PolarHBondContact O-N 3.21Å; L186-E190 VanDerWaalsContact O-N 3.11Å; L186-I196 HydrophobicContact CD2-CB 3.72Å; L186-I196 HydrophobicContact CD2-CD1 3.99Å; L186-I196 HydrophobicContact CD2-CG1 4.42Å; L186-I196 HydrophobicContact CD2-CG2 4.18Å; L186-I196 HydrophobicContact CG-CB 4.22Å; L186-I196 HydrophobicContact CG-CG2 4.11Å; L186-I196 WeakPolarHBondContact O-CG2 3.34Å; L186-I201 HydrophobicContact CB-CD1 4.39Å; L186-I201 HydrophobicContact CD2-CD1 3.99Å; L186-I201 HydrophobicContact CD2-CG1 4Å
187	I	96.1	Very high	94.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-40.4	175.8	-62.3	171	0	0	0	110.8	V183 L184 K189 E190 R191 I201 F232 F236 Y278	V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.41Å; V183-I187 WeakPolarHBondContact O-CG1 3.39Å; V183-I187 PolarHBondContact O-N 3.03Å; L184-I187 PolarHBondContact O-N 2.99Å; I187-K189 VanDerWaalsContact C-N 3.34Å; I187-K189 PolarHBondContact O-N 3.18Å; I187-E190 PolarHBondContact O-N 3.11Å; I187-R191 WeakPolarHBondContact O-CG 3.44Å; I187-R191 PolarHBondContact O-N 3.23Å; I187-I201 HydrophobicContact CG1-CD1 3.77Å; I187-F232 HydrophobicContact CD1-CZ 4.28Å; I187-F236 HydrophobicContact CD1-CD2 3.98Å; I187-F236 HydrophobicContact CD1-CE2 3.92Å; I187-F236 HydrophobicContact CG2-CE2 4.22Å; I187-Y278 HydrophobicContact CD1-CE2 4.08Å; I187-Y278 HydrophobicContact CG1-CE2 4.21Å
188	E	95.7	Very high	94.4	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.5	-172.3	174.3	-166.4	0	0	111.7	L184 K185 E190 R191 N192 F243 R246	L184-E188 PolarHBondContact O-N 2.96Å; K185-E188 PolarHBondContact O-N 3.28Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.27Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 3.34Å; E188-N192 PolarHBondContact O-N 2.97Å; E188-N192 PolarHBondContact O-ND2 3.05Å; E188-F243 HydrophobicContact CG-CD2 3.97Å; E188-F243 HydrophobicContact CG-CE2 3.98Å; E188-R246 IonicContact OE1-NH2 2.77Å; E188-R246 PolarHBondContact OE1-NH2 3.25Å
189	K	95	Very high	94.3	Very high	96 Å²	96	56.6 Å²	56.6	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-43.8	173.3	-75.8	-177	174.6	-166.7	0	112.5	K185 L186 I187 R191 N192 G193 E194 I196	K185-K189 WeakPolarHBondContact O-CG 3.44Å; K185-K189 PolarHBondContact O-N 3.24Å; L186-K189 WeakPolarHBondContact O-CB 3.33Å; L186-K189 PolarHBondContact O-N 3.36Å; I187-K189 VanDerWaalsContact C-N 3.34Å; I187-K189 PolarHBondContact O-N 3.18Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.42Å; K189-N192 CarbonylContact O-C 3.46Å; K189-N192 WeakPolarHBondContact O-CA 3.47Å; K189-N192 PolarHBondContact O-N 3.01Å; K189-N192 VanDerWaalsContact O-N 3.12Å; K189-G193 PolarHBondContact O-N 3.45Å; K189-E194 HydrophobicContact CB-CB 4.13Å; K189-E194 WeakPolarHBondContact O-CB 3.02Å; K189-E194 PolarHBondContact O-N 3.45Å; K189-I196 HydrophobicContact CB-CG2 4.23Å
190	E	95.2	Very high	94.3	Very high	48 Å²	48	57 Å²	57	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-38.8	176.4	-166.8	-167.2	-134.3	0	0	112	L186 I187 E188 N192 G193 E194 I196 R274 Y278	L186-E190 PolarHBondContact O-N 3.21Å; L186-E190 VanDerWaalsContact O-N 3.11Å; I187-E190 PolarHBondContact O-N 3.11Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.27Å; E190-N192 PolarHBondContact O-N 3.08Å; E190-G193 PolarHBondContact O-N 3.36Å; E190-E194 WeakPolarHBondContact CA-O 3.28Å; E190-I196 HydrophobicContact CB-CD1 3.7Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.14Å; E190-I196 HydrophobicContact CG-CD1 4.01Å; E190-I196 HydrophobicContact CG-CG1 3.92Å; E190-R274 IonicContact OE2-CZ 2.91Å; E190-R274 IonicContact OE2-NE 3.61Å; E190-R274 PolarHBondContact OE2-NE 3.12Å; E190-R274 IonicContact OE2-NH2 3.9Å; E190-R274 PolarHBondContact OE2-NH2 3.48Å; E190-Y278 PolarHBondContact OE2-OH 2.74Å; E190-Y278 VanDerWaalsContact OE2-OH 3.07Å
191	R	95.3	Very high	94.2	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-30.9	173.4	-72.2	173.9	173.6	155.4	1.7	112.3	I187 E188 K189 G193 T240 F243 R267 E271	I187-R191 WeakPolarHBondContact O-CG 3.44Å; I187-R191 PolarHBondContact O-N 3.23Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 3.34Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.42Å; R191-G193 VanDerWaalsContact C-N 3.25Å; R191-G193 PolarHBondContact O-N 3.4Å; R191-T240 PolarHBondContact NH1-OG1 3.19Å; R191-T240 VanDerWaalsContact NH2-CG2 3.3Å; R191-T240 PolarHBondContact NH2-OG1 3.46Å; R191-F243 HydrophobicContact CB-CE1 3.88Å; R191-F243 HydrophobicContact CB-CE2 4.14Å; R191-F243 HydrophobicContact CB-CZ 3.59Å; R191-F243 HydrophobicContact CG-CE1 4.33Å; R191-F243 HydrophobicContact CG-CZ 4.47Å; R191-R267 VanDerWaalsContact O-CZ 3.31Å; R191-R267 PolarHBondContact O-NH1 3.01Å; R191-R267 PolarHBondContact O-NH2 2.75Å; R191-E271 IonicContact CZ-OE1 3.84Å; R191-E271 IonicContact CZ-OE2 2.75Å; R191-E271 IonicContact NE-OE1 3.27Å; R191-E271 PolarHBondContact NE-OE1 3.07Å; R191-E271 IonicContact NE-OE2 3.99Å; R191-E271 IonicContact NH2-OE1 2.95Å; R191-E271 PolarHBondContact NH2-OE1 2.91Å; R191-E271 IonicContact NH2-OE2 2.88Å; R191-E271 PolarHBondContact NH2-OE2 3.43Å
192	N	94.6	Very high	94.2	Very high	96 Å²	96	54.4 Å²	54.4	51%	0.513	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.2	174.3	-64	-32.1	0	0	0	113.8	E188 K189 E190	E188-N192 PolarHBondContact O-N 2.97Å; E188-N192 PolarHBondContact O-ND2 3.05Å; K189-N192 CarbonylContact O-C 3.46Å; K189-N192 WeakPolarHBondContact O-CA 3.47Å; K189-N192 PolarHBondContact O-N 3.01Å; K189-N192 VanDerWaalsContact O-N 3.12Å; E190-N192 PolarHBondContact O-N 3.08Å
193	G	92.3	Very high	94.1	Very high	69 Å²	69	54.8 Å²	54.8	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	7.2	175.6	0	0	0	0	0	115	K189 E190 R191	K189-G193 PolarHBondContact O-N 3.45Å; E190-G193 PolarHBondContact O-N 3.36Å; R191-G193 VanDerWaalsContact C-N 3.25Å; R191-G193 PolarHBondContact O-N 3.4Å
194	E	94.4	Very high	94	Very high	99 Å²	99	54.8 Å²	54.8	46%	0.463	29%	0.29	S	S	.	.			trans	-77.4	144	174.3	-62.9	178.3	-128.2	0	0	111.3	K189 E190	K189-E194 HydrophobicContact CB-CB 4.13Å; K189-E194 WeakPolarHBondContact O-CB 3.02Å; K189-E194 PolarHBondContact O-N 3.45Å; E190-E194 WeakPolarHBondContact CA-O 3.28Å
195	T	91.6	Very high	93.9	Very high	148 Å²	148	54.8 Å²	54.8	91%	0.908	29%	0.291	S	S	*	.			trans	-76.5	128.3	173.5	52.9	0	0	0	0	110.8
196	I	93.1	Very high	93.8	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.179	29%	0.289	C	S	.	.			trans	-120.3	158.9	-178.3	61.1	156.5	0	0	0	112.6	L186 K189 E190 T198 I201	L186-I196 HydrophobicContact CD2-CB 3.72Å; L186-I196 HydrophobicContact CD2-CD1 3.99Å; L186-I196 HydrophobicContact CD2-CG1 4.42Å; L186-I196 HydrophobicContact CD2-CG2 4.18Å; L186-I196 HydrophobicContact CG-CB 4.22Å; L186-I196 HydrophobicContact CG-CG2 4.11Å; L186-I196 WeakPolarHBondContact O-CG2 3.34Å; K189-I196 HydrophobicContact CB-CG2 4.23Å; E190-I196 HydrophobicContact CB-CD1 3.7Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.14Å; E190-I196 HydrophobicContact CG-CD1 4.01Å; E190-I196 HydrophobicContact CG-CG1 3.92Å; I196-T198 HydrophobicContact CD1-CG2 4.33Å; I196-T198 HydrophobicContact CG1-CG2 4.28Å; I196-T198 PolarHBondContact O-N 3.36Å; I196-I201 HydrophobicContact CD1-CD1 3.6Å
197	N	91.7	Very high	93.8	Very high	69 Å²	69	53.6 Å²	53.6	37%	0.369	29%	0.286	S	S	.	.			trans	-85.8	91.4	172	-172.4	-8.1	0	0	0	110.6	R199 L200	N197-R199 PolarHBondContact O-N 3.17Å; N197-R199 VanDerWaalsContact O-N 3.16Å; N197-R199 WeakPolarHBondContact OD1-CB 3.04Å; N197-R199 PolarHBondContact OD1-N 3.23Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.12Å; N197-L200 WeakPolarHBondContact O-CB 3.43Å; N197-L200 PolarHBondContact O-N 2.92Å; N197-L200 VanDerWaalsContact O-N 3.11Å
198	T	92.9	Very high	93.7	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-26.6	-178.5	56.1	0	0	0	0	113.6	I196 L200 I201 S202 V277 Y278	I196-T198 HydrophobicContact CD1-CG2 4.33Å; I196-T198 HydrophobicContact CG1-CG2 4.28Å; I196-T198 PolarHBondContact O-N 3.36Å; T198-L200 PolarHBondContact O-N 3.08Å; T198-I201 PolarHBondContact O-N 2.95Å; T198-I201 VanDerWaalsContact O-N 3.1Å; T198-S202 PolarHBondContact O-N 2.79Å; T198-S202 PolarHBondContact O-OG 2.9Å; T198-V277 HydrophobicContact CG2-CG1 4.19Å; T198-Y278 HydrophobicContact CG2-CD1 3.94Å; T198-Y278 HydrophobicContact CG2-CE1 4.2Å
199	R	92.5	Very high	93.5	Very high	202 Å²	202	51.5 Å²	51.5	76%	0.762	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-31.7	177.6	-62.4	-175.8	179.6	175.6	0.8	112.7	N197 I201 G203	N197-R199 PolarHBondContact O-N 3.17Å; N197-R199 VanDerWaalsContact O-N 3.16Å; N197-R199 WeakPolarHBondContact OD1-CB 3.04Å; N197-R199 PolarHBondContact OD1-N 3.23Å; R199-I201 VanDerWaalsContact C-N 3.33Å; R199-G203 PolarHBondContact O-N 2.98Å
200	L	93	Very high	93.3	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-41.5	176.4	-63.2	178.8	0	0	0	110.7	E113 L116 K117 T120 N197 T198 V204	E113-L200 HydrophobicContact CG-CD1 3.69Å; L116-L200 HydrophobicContact CB-CB 4.3Å; L116-L200 HydrophobicContact CB-CD1 4.27Å; K117-L200 HydrophobicContact CB-CD2 4.5Å; K117-L200 HydrophobicContact CG-CD1 4.03Å; K117-L200 HydrophobicContact CG-CD2 3.8Å; T120-L200 VanDerWaalsContact CG2-O 3.25Å; T120-L200 WeakPolarHBondContact CG2-O 3.37Å; T120-L200 WeakPolarHBondContact OG1-CD2 3.41Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.12Å; N197-L200 WeakPolarHBondContact O-CB 3.43Å; N197-L200 PolarHBondContact O-N 2.92Å; N197-L200 VanDerWaalsContact O-N 3.11Å; T198-L200 PolarHBondContact O-N 3.08Å; L200-V204 WeakPolarHBondContact O-CG2 3.41Å; L200-V204 PolarHBondContact O-N 3.32Å
201	I	94.7	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-49.8	177.8	-54.8	176.4	0	0	0	109.9	V183 L186 I187 I196 T198 R199 G203 V204 V205 Y278	V183-I201 HydrophobicContact CG1-CB 4.49Å; V183-I201 HydrophobicContact CG1-CG1 4.24Å; V183-I201 HydrophobicContact CG1-CG2 3.79Å; L186-I201 HydrophobicContact CB-CD1 4.39Å; L186-I201 HydrophobicContact CD2-CD1 3.99Å; L186-I201 HydrophobicContact CD2-CG1 4Å; I187-I201 HydrophobicContact CG1-CD1 3.77Å; I196-I201 HydrophobicContact CD1-CD1 3.6Å; T198-I201 PolarHBondContact O-N 2.95Å; T198-I201 VanDerWaalsContact O-N 3.1Å; R199-I201 VanDerWaalsContact C-N 3.33Å; I201-G203 VanDerWaalsContact C-N 3.26Å; I201-G203 PolarHBondContact O-N 3.47Å; I201-V204 PolarHBondContact O-N 3.19Å; I201-V204 VanDerWaalsContact O-N 3.15Å; I201-V205 HydrophobicContact CG2-CG2 4.1Å; I201-V205 WeakPolarHBondContact O-CG2 3.46Å; I201-V205 PolarHBondContact O-N 2.91Å; I201-Y278 HydrophobicContact CB-CD2 4.13Å; I201-Y278 HydrophobicContact CB-CG 4.18Å; I201-Y278 HydrophobicContact CD1-CD2 4.38Å; I201-Y278 HydrophobicContact CD1-CE1 4.32Å; I201-Y278 HydrophobicContact CD1-CE2 4.16Å; I201-Y278 HydrophobicContact CG2-CD2 3.38Å; I201-Y278 HydrophobicContact CG2-CE2 3.92Å; I201-Y278 HydrophobicContact CG2-CG 3.92Å
202	S	93.9	Very high	92.6	Very high	41 Å²	41	45.8 Å²	45.8	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-56.3	-41.2	178	-54.8	0	0	0	0	111.9	T198 V205 Q206 Y278	T198-S202 PolarHBondContact O-N 2.79Å; T198-S202 PolarHBondContact O-OG 2.9Å; S202-V205 PolarHBondContact O-N 3.42Å; S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 PolarHBondContact O-N 2.92Å; S202-Y278 VanDerWaalsContact OG-CB 3.24Å; S202-Y278 WeakPolarHBondContact OG-CB 3.35Å
203	G	92.8	Very high	91.8	Very high	10 Å²	10	42.7 Å²	42.7	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-43.4	177.9	0	0	0	0	0	112.9	R199 I201 S207	R199-G203 PolarHBondContact O-N 2.98Å; I201-G203 VanDerWaalsContact C-N 3.26Å; I201-G203 PolarHBondContact O-N 3.47Å; G203-S207 PolarHBondContact O-N 3.02Å; G203-S207 VanDerWaalsContact O-N 3.1Å
204	V	94.6	Very high	90.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-48	175.7	174.9	0	0	0	0	111.1	L116 Y119 T120 V179 V183 L200 I201 Q206 S207 Y208	L116-V204 HydrophobicContact CD2-CG2 3.9Å; Y119-V204 HydrophobicContact CD1-CG2 4.03Å; T120-V204 HydrophobicContact CG2-CG2 3.82Å; V179-V204 HydrophobicContact CG1-CB 4.33Å; V179-V204 HydrophobicContact CG1-CG1 3.56Å; V179-V204 HydrophobicContact CG1-CG2 3.69Å; V183-V204 HydrophobicContact CG2-CB 4.06Å; V183-V204 HydrophobicContact CG2-CG1 3.92Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; L200-V204 WeakPolarHBondContact O-CG2 3.41Å; L200-V204 PolarHBondContact O-N 3.32Å; I201-V204 PolarHBondContact O-N 3.19Å; I201-V204 VanDerWaalsContact O-N 3.15Å; V204-Q206 VanDerWaalsContact C-N 3.34Å; V204-Q206 PolarHBondContact O-N 3.11Å; V204-S207 WeakPolarHBondContact O-CA 3.38Å; V204-S207 VanDerWaalsContact O-CB 3.32Å; V204-S207 WeakPolarHBondContact O-CB 3.5Å; V204-S207 PolarHBondContact O-N 3.37Å; V204-S207 VanDerWaalsContact O-N 3.09Å; V204-Y208 HydrophobicContact CG1-CD1 3.82Å; V204-Y208 HydrophobicContact CG1-CE1 3.44Å; V204-Y208 VanDerWaalsContact CG1-CE1 3.44Å; V204-Y208 WeakPolarHBondContact O-CD1 3.48Å; V204-Y208 PolarHBondContact O-N 3.33Å
205	V	94	Very high	89.5	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-45.5	179.5	168.2	0	0	0	0	110.9	I201 S202 S207 Y208 V209 Y228 F232 L279	I201-V205 HydrophobicContact CG2-CG2 4.1Å; I201-V205 WeakPolarHBondContact O-CG2 3.46Å; I201-V205 PolarHBondContact O-N 2.91Å; S202-V205 PolarHBondContact O-N 3.42Å; V205-S207 VanDerWaalsContact C-N 3.27Å; V205-S207 PolarHBondContact O-N 3.1Å; V205-Y208 PolarHBondContact O-N 2.96Å; V205-Y208 VanDerWaalsContact O-N 3.13Å; V205-V209 HydrophobicContact CG1-CG2 4.4Å; V205-V209 WeakPolarHBondContact O-CG2 3.47Å; V205-V209 PolarHBondContact O-N 3.34Å; V205-Y228 HydrophobicContact CG1-CD2 4.2Å; V205-Y228 HydrophobicContact CG1-CE2 3.71Å; V205-Y228 HydrophobicContact CG2-CE2 4.34Å; V205-F232 HydrophobicContact CG2-CE1 4.36Å; V205-L279 HydrophobicContact CG2-CD2 4.41Å
206	Q	92.3	Very high	88.2	Confident	91 Å²	91	42.8 Å²	42.8	43%	0.425	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-39.3	175.9	-171.8	67.7	31	0	0	111.5	S202 V204 E210	S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 PolarHBondContact O-N 2.92Å; V204-Q206 VanDerWaalsContact C-N 3.34Å; V204-Q206 PolarHBondContact O-N 3.11Å; Q206-E210 PolarHBondContact NE2-OE1 3.27Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 PolarHBondContact O-N 3.47Å
207	S	93.6	Very high	86.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-49.1	173.5	-179.1	0	0	0	0	111.5	Y119 G203 V204 V205 V209 E210 L211	Y119-S207 PolarHBondContact OH-OG 3.33Å; G203-S207 PolarHBondContact O-N 3.02Å; G203-S207 VanDerWaalsContact O-N 3.1Å; V204-S207 WeakPolarHBondContact O-CA 3.38Å; V204-S207 VanDerWaalsContact O-CB 3.32Å; V204-S207 WeakPolarHBondContact O-CB 3.5Å; V204-S207 PolarHBondContact O-N 3.37Å; V204-S207 VanDerWaalsContact O-N 3.09Å; V205-S207 VanDerWaalsContact C-N 3.27Å; V205-S207 PolarHBondContact O-N 3.1Å; S207-V209 VanDerWaalsContact C-N 3.28Å; S207-V209 PolarHBondContact O-N 3.4Å; S207-E210 PolarHBondContact O-N 2.88Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 WeakPolarHBondContact O-CD1 3.42Å; S207-L211 WeakPolarHBondContact O-CG 3.33Å; S207-L211 PolarHBondContact O-N 3.27Å; S207-L211 WeakPolarHBondContact OG-CD1 3.24Å
208	Y	94.2	Very high	85.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-36.5	-176.1	-78.2	35.8	0	0	0	111.5	Y119 F172 N176 V179 T180 V204 V205 F232	Y119-Y208 HydrophobicContact CE1-CE1 4.48Å; F172-Y208 HydrophobicContact CD2-CD1 4.02Å; F172-Y208 AromaticContact CD2-CE1 3.72Å; F172-Y208 HydrophobicContact CD2-CE1 3.72Å; F172-Y208 AromaticContact CE2-CD1 3.61Å; F172-Y208 HydrophobicContact CE2-CD1 3.61Å; F172-Y208 HydrophobicContact CE2-CD2 4.03Å; F172-Y208 AromaticContact CE2-CE1 3.4Å; F172-Y208 HydrophobicContact CE2-CE1 3.4Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.4Å; F172-Y208 AromaticContact CE2-CE2 3.85Å; F172-Y208 HydrophobicContact CE2-CE2 3.85Å; F172-Y208 AromaticContact CE2-CG 3.93Å; F172-Y208 HydrophobicContact CE2-CG 3.93Å; F172-Y208 AromaticContact CE2-CZ 3.55Å; F172-Y208 HydrophobicContact CZ-CE2 4.49Å; N176-Y208 PolarHBondContact O-OH 2.97Å; V179-Y208 HydrophobicContact CG1-CE1 4.42Å; T180-Y208 WeakPolarHBondContact OG1-CE2 3.47Å; T180-Y208 PolarHBondContact OG1-OH 3.29Å; V204-Y208 HydrophobicContact CG1-CD1 3.82Å; V204-Y208 HydrophobicContact CG1-CE1 3.44Å; V204-Y208 VanDerWaalsContact CG1-CE1 3.44Å; V204-Y208 WeakPolarHBondContact O-CD1 3.48Å; V204-Y208 PolarHBondContact O-N 3.33Å; V205-Y208 PolarHBondContact O-N 2.96Å; V205-Y208 VanDerWaalsContact O-N 3.13Å; Y208-F232 HydrophobicContact CD2-CB 3.61Å; Y208-F232 HydrophobicContact CE2-CB 3.8Å
209	V	92.6	Very high	83.8	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-53.6	173.6	172.3	0	0	0	0	110.5	V205 S207 L211 G212 P223 L225 Y228 H280	V205-V209 HydrophobicContact CG1-CG2 4.4Å; V205-V209 WeakPolarHBondContact O-CG2 3.47Å; V205-V209 PolarHBondContact O-N 3.34Å; S207-V209 VanDerWaalsContact C-N 3.28Å; S207-V209 PolarHBondContact O-N 3.4Å; V209-L211 PolarHBondContact O-N 2.75Å; V209-G212 PolarHBondContact O-N 3.15Å; V209-P223 HydrophobicContact CG1-CB 4.31Å; V209-P223 HydrophobicContact CG1-CG 3.73Å; V209-P223 WeakPolarHBondContact O-CB 3.41Å; V209-L225 HydrophobicContact CG1-CD2 4.04Å; V209-L225 HydrophobicContact CG2-CD2 4.13Å; V209-Y228 HydrophobicContact CG2-CD2 3.9Å; V209-Y228 HydrophobicContact CG2-CG 3.95Å; V209-H280 HydrophobicContact CG2-CB 4.39Å
210	E	90.3	Very high	82.4	Confident	26 Å²	26	38 Å²	38	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-23.2	-177.7	-76.3	-171.9	-150	0	0	114.2	W123 R127 Y160 Q206 S207 G212	W123-E210 HydrophobicContact CH2-CB 4.42Å; W123-E210 HydrophobicContact CZ2-CB 4.02Å; R127-E210 IonicContact CZ-OE1 3.82Å; R127-E210 IonicContact CZ-OE2 3.98Å; R127-E210 VanDerWaalsContact NE-CD 3.29Å; R127-E210 IonicContact NE-OE1 2.81Å; R127-E210 PolarHBondContact NE-OE1 2.98Å; R127-E210 IonicContact NE-OE2 3.52Å; R127-E210 PolarHBondContact NE-OE2 3.2Å; R127-E210 IonicContact NH2-OE1 3.69Å; R127-E210 PolarHBondContact NH2-OE1 3.27Å; R127-E210 IonicContact NH2-OE2 3.95Å; Y160-E210 PolarHBondContact OH-OE2 2.87Å; Q206-E210 PolarHBondContact NE2-OE1 3.27Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 PolarHBondContact O-N 3.47Å; S207-E210 PolarHBondContact O-N 2.88Å; E210-G212 VanDerWaalsContact C-N 3.31Å
211	L	90.5	Very high	80.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.8	178.6	-71.6	169.9	0	0	0	114.1	W123 L164 W167 R168 F172 S207 V209 L213 V227	W123-L211 HydrophobicContact CH2-CD2 4.16Å; W123-L211 HydrophobicContact CH2-CG 4.27Å; W123-L211 HydrophobicContact CZ3-CD2 4.21Å; L164-L211 HydrophobicContact CB-CD2 4.43Å; L164-L211 HydrophobicContact CD2-CD2 4.44Å; L164-L211 WeakPolarHBondContact O-CD2 3.18Å; W167-L211 HydrophobicContact CB-CD2 4.28Å; W167-L211 HydrophobicContact CG-CD2 4.28Å; R168-L211 HydrophobicContact CB-CD2 4.08Å; F172-L211 HydrophobicContact CB-CD1 3.92Å; F172-L211 HydrophobicContact CD2-CD1 3.68Å; F172-L211 HydrophobicContact CE2-CD1 4.33Å; F172-L211 HydrophobicContact CG-CD1 3.79Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 WeakPolarHBondContact O-CD1 3.42Å; S207-L211 WeakPolarHBondContact O-CG 3.33Å; S207-L211 PolarHBondContact O-N 3.27Å; S207-L211 WeakPolarHBondContact OG-CD1 3.24Å; V209-L211 PolarHBondContact O-N 2.75Å; L211-L213 PolarHBondContact O-N 3.24Å; L211-L213 VanDerWaalsContact O-N 3.1Å; L211-V227 HydrophobicContact CB-CG1 4.25Å
212	G	84.3	Confident	79	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.			trans	-77.4	95.1	172.1	0	0	0	0	0	110.1	V209 E210 P223 T224	V209-G212 PolarHBondContact O-N 3.15Å; E210-G212 VanDerWaalsContact C-N 3.31Å; G212-P223 CarbonylContact O-C 3.48Å; G212-P223 WeakPolarHBondContact O-CA 3.22Å; G212-P223 VanDerWaalsContact O-CB 3.28Å; G212-P223 WeakPolarHBondContact O-CB 3.38Å; G212-T224 WeakPolarHBondContact CA-O 3.49Å; G212-T224 WeakPolarHBondContact CA-OG1 3.45Å; G212-T224 PolarHBondContact O-N 3.21Å; G212-T224 PolarHBondContact O-OG1 3.33Å
213	L	78.5	Confident	77.7	Confident	31 Å²	31	51.3 Å²	51.3	16%	0.162	28%	0.283	C	S	.	.			trans	-94	148.3	177.2	-66.6	168.6	0	0	0	110.1	L164 V165 L211 E215 T224	L164-L213 HydrophobicContact CB-CD1 3.96Å; L164-L213 HydrophobicContact CD1-CD2 3.87Å; V165-L213 HydrophobicContact CG2-CD1 3.51Å; L211-L213 PolarHBondContact O-N 3.24Å; L211-L213 VanDerWaalsContact O-N 3.1Å; L213-E215 PolarHBondContact O-N 3.33Å; L213-T224 PolarHBondContact O-OG1 2.75Å
214	N	70.4	Confident	77.1	Confident	65 Å²	65	52.3 Å²	52.3	35%	0.348	29%	0.287	S	S	.	.			trans	-82.7	95.5	171.7	-147.7	-2.8	0	0	0	108.6	D216 D217 A220 T224	N214-D216 PolarHBondContact O-N 3.18Å; N214-D217 CarbonylContact O-C 3.41Å; N214-D217 PolarHBondContact O-N 3.45Å; N214-A220 HydrophobicContact CB-CB 3.97Å; N214-A220 WeakPolarHBondContact ND2-CB 3.41Å; N214-T224 HydrophobicContact CB-CG2 3.83Å
215	E	67.9	Low	76.7	Confident	104 Å²	104	54.3 Å²	54.3	49%	0.486	30%	0.297	S	S	.	.	S	Bend	trans	-69.9	-19.6	-175.7	-65	-172	173.4	0	0	113	R168 L213	R168-E215 IonicContact CZ-OE1 3.16Å; R168-E215 VanDerWaalsContact CZ-OE1 3.22Å; R168-E215 IonicContact NH1-OE1 2.59Å; R168-E215 PolarHBondContact NH1-OE1 3.47Å; R168-E215 IonicContact NH2-OE1 3.42Å; R168-E215 PolarHBondContact NH2-OE1 2.87Å; L213-E215 PolarHBondContact O-N 3.33Å
216	D	65.3	Low	76.5	Confident	149 Å²	149	57.2 Å²	57.2	80%	0.797	32%	0.315	S	S	*	.	S	Bend	trans	-87.2	-22.7	179.9	-68	-42.9	0	0	0	113.7	N214	N214-D216 PolarHBondContact O-N 3.18Å
217	D	65.7	Low	76.4	Confident	79 Å²	79	53.5 Å²	53.5	42%	0.422	30%	0.299	S	S	.	.			trans	-136.8	96.6	176.2	-176.7	0.2	0	0	0	110.1	N214 F219 A220	N214-D217 CarbonylContact O-C 3.41Å; N214-D217 PolarHBondContact O-N 3.45Å; D217-F219 PolarHBondContact O-N 3.07Å; D217-F219 PolarHBondContact OD1-N 2.75Å; D217-A220 HydrophobicContact CB-CB 3.91Å; D217-A220 WeakPolarHBondContact O-CB 3.29Å; D217-A220 PolarHBondContact O-N 2.77Å; D217-A220 PolarHBondContact OD1-N 3.28Å
218	A	60	Low	76.4	Confident	48 Å²	48	53.5 Å²	53.5	40%	0.397	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.5	-180	0	0	0	0	0	113.8	C149	C149-A218 HydrophobicContact CB-CB 4.47Å
219	F	59.1	Low	76.4	Confident	85 Å²	85	57.1 Å²	57.1	37%	0.373	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-1.2	178.9	-58.9	-74.6	0	0	0	113.7	R146 C149 D150 D217 K221	R146-F219 HydrophobicContact CB-CZ 4.48Å; R146-F219 HydrophobicContact CG-CE1 4.1Å; R146-F219 HydrophobicContact CG-CZ 3.84Å; C149-F219 HydrophobicContact CB-CE2 3.91Å; C149-F219 HydrophobicContact CB-CZ 3.92Å; D150-F219 WeakPolarHBondContact OD1-CE2 3.5Å; D217-F219 PolarHBondContact O-N 3.07Å; D217-F219 PolarHBondContact OD1-N 2.75Å; F219-K221 PolarHBondContact O-N 3.15Å
220	A	63.7	Low	76.3	Confident	36 Å²	36	63.4 Å²	63.4	30%	0.298	34%	0.343	S	S	.	.			trans	-60.7	123.5	176.4	0	0	0	0	0	110.2	N214 D217 G222	N214-A220 HydrophobicContact CB-CB 3.97Å; N214-A220 WeakPolarHBondContact ND2-CB 3.41Å; D217-A220 HydrophobicContact CB-CB 3.91Å; D217-A220 WeakPolarHBondContact O-CB 3.29Å; D217-A220 PolarHBondContact O-N 2.77Å; D217-A220 PolarHBondContact OD1-N 3.28Å; A220-G222 PolarHBondContact O-N 2.75Å
221	K	55.1	Low	76.4	Confident	217 Å²	217	63.6 Å²	63.6	94%	0.943	35%	0.347	S	S	*	.	S	Bend	trans	-82	105.2	179.9	-72.2	-174.1	179.5	-179.4	0	110.1	F219	F219-K221 PolarHBondContact O-N 3.15Å
222	G	59.5	Low	76.7	Confident	49 Å²	49	63.5 Å²	63.5	51%	0.505	35%	0.347	S	S	.	.	S	Bend	trans	127	149.6	168.9	0	0	0	0	0	112.7	A220	A220-G222 PolarHBondContact O-N 2.75Å
223	P	66.8	Low	77.2	Confident	64 Å²	64	63.7 Å²	63.7	42%	0.416	35%	0.347	S	S	.	.			trans	-68.9	142.5	178.8	25.1	-29.3	0	0	0	111.9	V209 G212	V209-P223 HydrophobicContact CG1-CB 4.31Å; V209-P223 HydrophobicContact CG1-CG 3.73Å; V209-P223 WeakPolarHBondContact O-CB 3.41Å; G212-P223 CarbonylContact O-C 3.48Å; G212-P223 WeakPolarHBondContact O-CA 3.22Å; G212-P223 VanDerWaalsContact O-CB 3.28Å; G212-P223 WeakPolarHBondContact O-CB 3.38Å
224	T	80	Confident	78	Confident	32 Å²	32	65.2 Å²	65.2	20%	0.196	36%	0.361	C	S	.	.			trans	-71.9	133.7	161.6	56.7	0	0	0	0	107.9	G212 L213 N214 T226	G212-T224 WeakPolarHBondContact CA-O 3.49Å; G212-T224 WeakPolarHBondContact CA-OG1 3.45Å; G212-T224 PolarHBondContact O-N 3.21Å; G212-T224 PolarHBondContact O-OG1 3.33Å; L213-T224 PolarHBondContact O-OG1 2.75Å; N214-T224 HydrophobicContact CB-CG2 3.83Å; T224-T226 PolarHBondContact O-N 3.45Å; T224-T226 VanDerWaalsContact O-N 3.07Å; T224-T226 PolarHBondContact OG1-OG1 3.47Å
225	L	87.7	Confident	79.2	Confident	43 Å²	43	66.8 Å²	66.8	23%	0.225	37%	0.366	C	S	.	.	S	Bend	trans	-75.5	6.5	-179.6	-68.1	169.9	0	0	0	113.2	V209 V227 Y228 K229	V209-L225 HydrophobicContact CG1-CD2 4.04Å; V209-L225 HydrophobicContact CG2-CD2 4.13Å; L225-V227 PolarHBondContact O-N 2.87Å; L225-Y228 WeakPolarHBondContact O-CB 3.19Å; L225-Y228 PolarHBondContact O-N 2.96Å; L225-K229 HydrophobicContact CB-CG 4.05Å; L225-K229 WeakPolarHBondContact O-CB 3.49Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.05Å
226	T	88.4	Confident	80.6	Confident	69 Å²	69	61.9 Å²	61.9	42%	0.423	34%	0.343	S	S	.	.	H	α-helix	trans	-55.2	-50.2	-171.2	49.7	0	0	0	0	112.7	T224 Y228 K229 E230	T224-T226 PolarHBondContact O-N 3.45Å; T224-T226 VanDerWaalsContact O-N 3.07Å; T224-T226 PolarHBondContact OG1-OG1 3.47Å; T226-Y228 PolarHBondContact O-N 3.31Å; T226-K229 PolarHBondContact O-N 2.89Å; T226-E230 WeakPolarHBondContact O-CB 3.4Å; T226-E230 WeakPolarHBondContact O-CG 3.36Å; T226-E230 PolarHBondContact O-N 3.2Å
227	V	90.8	Very high	82.1	Confident	14 Å²	14	55.5 Å²	55.5	9%	0.085	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-44.2	-179.8	178.2	0	0	0	0	111	F172 L211 L225 S231	F172-V227 HydrophobicContact CE1-CG1 3.83Å; F172-V227 HydrophobicContact CE2-CG1 3.91Å; F172-V227 HydrophobicContact CZ-CG1 3.34Å; L211-V227 HydrophobicContact CB-CG1 4.25Å; L225-V227 PolarHBondContact O-N 2.87Å; V227-S231 WeakPolarHBondContact O-CB 3.45Å; V227-S231 PolarHBondContact O-N 3.46Å; V227-S231 PolarHBondContact O-OG 3.35Å
228	Y	94.1	Very high	83.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-48	175.3	173.2	-99.6	0	0	0	112	V205 V209 L225 T226 F232 E233 H280 T283	V205-Y228 HydrophobicContact CG1-CD2 4.2Å; V205-Y228 HydrophobicContact CG1-CE2 3.71Å; V205-Y228 HydrophobicContact CG2-CE2 4.34Å; V209-Y228 HydrophobicContact CG2-CD2 3.9Å; V209-Y228 HydrophobicContact CG2-CG 3.95Å; L225-Y228 WeakPolarHBondContact O-CB 3.19Å; L225-Y228 PolarHBondContact O-N 2.96Å; T226-Y228 PolarHBondContact O-N 3.31Å; Y228-F232 HydrophobicContact CD2-CD1 4.04Å; Y228-F232 AromaticContact CE2-CD1 3.44Å; Y228-F232 HydrophobicContact CE2-CD1 3.44Å; Y228-F232 VanDerWaalsContact CE2-CD1 3.44Å; Y228-F232 AromaticContact CE2-CE1 3.94Å; Y228-F232 HydrophobicContact CE2-CE1 3.94Å; Y228-F232 HydrophobicContact CE2-CG 4.43Å; Y228-F232 AromaticContact CZ-CD1 3.93Å; Y228-F232 WeakPolarHBondContact O-CA 3.43Å; Y228-F232 WeakPolarHBondContact O-CB 3.25Å; Y228-F232 PolarHBondContact O-N 3Å; Y228-F232 VanDerWaalsContact O-N 3.08Å; Y228-E233 HydrophobicContact CD1-CB 4.31Å; Y228-E233 HydrophobicContact CE1-CB 3.98Å; Y228-E233 HydrophobicContact CE1-CG 4.23Å; Y228-E233 PolarHBondContact O-N 2.94Å; Y228-H280 HydrophobicContact CD1-CB 4.36Å; Y228-H280 HydrophobicContact CE1-CB 3.74Å; Y228-H280 HydrophobicContact CE2-CB 4.22Å; Y228-H280 PolarHBondContact OH-N 2.83Å; Y228-T283 WeakPolarHBondContact CE1-OG1 3.47Å; Y228-T283 PolarHBondContact OH-OG1 3.05Å
229	K	93	Very high	85.3	Confident	76 Å²	76	53.4 Å²	53.4	33%	0.33	30%	0.298	S	S	.	.	I	π-helix	trans	-62.6	-50	-178.6	-65.1	-139	168.5	-165.5	0	112.2	L225 T226 E233 S234 E286	L225-K229 HydrophobicContact CB-CG 4.05Å; L225-K229 WeakPolarHBondContact O-CB 3.49Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.05Å; T226-K229 PolarHBondContact O-N 2.89Å; K229-E233 WeakPolarHBondContact CD-OE2 3.39Å; K229-E233 VanDerWaalsContact CE-OE2 3.29Å; K229-E233 WeakPolarHBondContact CE-OE2 3.5Å; K229-E233 WeakPolarHBondContact CG-OE2 3.48Å; K229-E233 IonicContact NZ-OE2 3.45Å; K229-E233 PolarHBondContact O-N 2.88Å; K229-S234 WeakPolarHBondContact O-CB 3.43Å; K229-S234 PolarHBondContact O-N 3.01Å; K229-S234 PolarHBondContact O-OG 3.41Å; K229-E286 IonicContact NZ-OE1 2.87Å
230	E	91.8	Very high	87.1	Confident	144 Å²	144	49.4 Å²	49.4	67%	0.673	28%	0.281	S	S	*	.	I	π-helix	trans	-76.8	-41.5	-173.8	-68.6	177	179.3	0	0	112.7	T226 S234	T226-E230 WeakPolarHBondContact O-CB 3.4Å; T226-E230 WeakPolarHBondContact O-CG 3.36Å; T226-E230 PolarHBondContact O-N 3.2Å; E230-S234 PolarHBondContact O-OG 3.43Å; E230-S234 VanDerWaalsContact O-OG 3.11Å
231	S	92.5	Very high	88.7	Confident	29 Å²	29	50 Å²	50	20%	0.203	28%	0.278	C	S	.	.	I	π-helix	trans	-92.9	-12.9	-173	-58.2	0	0	0	0	114.2	T180 V227	T180-S231 WeakPolarHBondContact CG2-O 3.48Å; T180-S231 PolarHBondContact OG1-O 2.93Å; V227-S231 WeakPolarHBondContact O-CB 3.45Å; V227-S231 PolarHBondContact O-N 3.46Å; V227-S231 PolarHBondContact O-OG 3.35Å
232	F	95.5	Very high	90.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-135.3	-62.2	-178.9	176.3	-97.8	0	0	0	113.4	T180 V183 L184 I187 V205 Y208 Y228 S234 Q235 F236 L279	T180-F232 HydrophobicContact CG2-CD2 4.26Å; V183-F232 HydrophobicContact CB-CE2 4.28Å; V183-F232 HydrophobicContact CG1-CD2 4.48Å; V183-F232 HydrophobicContact CG1-CE2 3.55Å; V183-F232 HydrophobicContact CG1-CZ 4.17Å; L184-F232 HydrophobicContact CD2-CE2 4.27Å; I187-F232 HydrophobicContact CD1-CZ 4.28Å; V205-F232 HydrophobicContact CG2-CE1 4.36Å; Y208-F232 HydrophobicContact CD2-CB 3.61Å; Y208-F232 HydrophobicContact CE2-CB 3.8Å; Y228-F232 HydrophobicContact CD2-CD1 4.04Å; Y228-F232 AromaticContact CE2-CD1 3.44Å; Y228-F232 HydrophobicContact CE2-CD1 3.44Å; Y228-F232 VanDerWaalsContact CE2-CD1 3.44Å; Y228-F232 AromaticContact CE2-CE1 3.94Å; Y228-F232 HydrophobicContact CE2-CE1 3.94Å; Y228-F232 HydrophobicContact CE2-CG 4.43Å; Y228-F232 AromaticContact CZ-CD1 3.93Å; Y228-F232 WeakPolarHBondContact O-CA 3.43Å; Y228-F232 WeakPolarHBondContact O-CB 3.25Å; Y228-F232 PolarHBondContact O-N 3Å; Y228-F232 VanDerWaalsContact O-N 3.08Å; F232-S234 PolarHBondContact O-N 3.21Å; F232-Q235 PolarHBondContact O-N 2.76Å; F232-Q235 VanDerWaalsContact O-N 3.11Å; F232-F236 HydrophobicContact CD1-CB 4.47Å; F232-F236 HydrophobicContact CE1-CB 4.04Å; F232-F236 HydrophobicContact CE1-CD1 4.5Å; F232-F236 HydrophobicContact CE1-CG 4.19Å; F232-F236 HydrophobicContact CE2-CB 4.26Å; F232-F236 HydrophobicContact CZ-CB 3.93Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.04Å; F232-F236 WeakPolarHBondContact O-CB 3.48Å; F232-F236 PolarHBondContact O-N 2.88Å; F232-L279 HydrophobicContact CE1-CD2 3.72Å; F232-L279 HydrophobicContact CZ-CD2 3.82Å
233	E	95.3	Very high	92.5	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	24%	0.243	C	C	.	.	I	π-helix	trans	-55.9	-47.1	-169.2	-170.2	173.4	-132.2	0	0	112.2	Y228 K229 Q235 F236 L237 T283	Y228-E233 HydrophobicContact CD1-CB 4.31Å; Y228-E233 HydrophobicContact CE1-CB 3.98Å; Y228-E233 HydrophobicContact CE1-CG 4.23Å; Y228-E233 PolarHBondContact O-N 2.94Å; K229-E233 WeakPolarHBondContact CD-OE2 3.39Å; K229-E233 VanDerWaalsContact CE-OE2 3.29Å; K229-E233 WeakPolarHBondContact CE-OE2 3.5Å; K229-E233 WeakPolarHBondContact CG-OE2 3.48Å; K229-E233 IonicContact NZ-OE2 3.45Å; K229-E233 PolarHBondContact O-N 2.88Å; E233-Q235 PolarHBondContact O-N 3.12Å; E233-F236 PolarHBondContact O-N 3.43Å; E233-L237 HydrophobicContact CG-CD1 4.03Å; E233-L237 HydrophobicContact CG-CG 4.36Å; E233-L237 WeakPolarHBondContact O-CB 3.37Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.44Å; E233-L237 PolarHBondContact O-N 3.17Å; E233-T283 HydrophobicContact CG-CG2 4.16Å; E233-T283 WeakPolarHBondContact OE1-CA 3.4Å; E233-T283 VanDerWaalsContact OE1-CB 3.27Å; E233-T283 WeakPolarHBondContact OE1-CB 3.49Å; E233-T283 PolarHBondContact OE1-N 3.23Å; E233-T283 PolarHBondContact OE1-OG1 2.92Å
234	S	95.3	Very high	94	Very high	64 Å²	64	43.4 Å²	43.4	45%	0.448	22%	0.223	S	C	.	.	H	α-helix	trans	-59	-44.3	178.9	59.2	0	0	0	0	113	K229 E230 F232 A238	K229-S234 WeakPolarHBondContact O-CB 3.43Å; K229-S234 PolarHBondContact O-N 3.01Å; K229-S234 PolarHBondContact O-OG 3.41Å; E230-S234 PolarHBondContact O-OG 3.43Å; E230-S234 VanDerWaalsContact O-OG 3.11Å; F232-S234 PolarHBondContact O-N 3.21Å; S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 2.95Å; S234-A238 VanDerWaalsContact O-N 3.12Å
235	Q	96	Very high	94.8	Very high	98 Å²	98	44 Å²	44	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-72	-37	178.5	-168.8	62.6	60.3	0	0	111.7	L184 F232 E233 A238 D239	L184-Q235 HydrophobicContact CD1-CB 4.38Å; L184-Q235 HydrophobicContact CD1-CG 3.6Å; F232-Q235 PolarHBondContact O-N 2.76Å; F232-Q235 VanDerWaalsContact O-N 3.11Å; E233-Q235 PolarHBondContact O-N 3.12Å; Q235-A238 PolarHBondContact O-N 3.01Å; Q235-D239 WeakPolarHBondContact O-CB 3.34Å; Q235-D239 PolarHBondContact O-N 3.23Å
236	F	97	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-45.3	174.9	166.8	-108	0	0	0	111.9	L184 I187 F232 E233 D239 T240 L279 T283 L287	L184-F236 HydrophobicContact CD2-CB 3.86Å; L184-F236 HydrophobicContact CD2-CD2 3.99Å; L184-F236 HydrophobicContact CD2-CG 4.45Å; I187-F236 HydrophobicContact CD1-CD2 3.98Å; I187-F236 HydrophobicContact CD1-CE2 3.92Å; I187-F236 HydrophobicContact CG2-CE2 4.22Å; F232-F236 HydrophobicContact CD1-CB 4.47Å; F232-F236 HydrophobicContact CE1-CB 4.04Å; F232-F236 HydrophobicContact CE1-CD1 4.5Å; F232-F236 HydrophobicContact CE1-CG 4.19Å; F232-F236 HydrophobicContact CE2-CB 4.26Å; F232-F236 HydrophobicContact CZ-CB 3.93Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.04Å; F232-F236 WeakPolarHBondContact O-CB 3.48Å; F232-F236 PolarHBondContact O-N 2.88Å; E233-F236 PolarHBondContact O-N 3.43Å; F236-D239 PolarHBondContact O-N 3.05Å; F236-T240 WeakPolarHBondContact CE2-OG1 3.17Å; F236-T240 VanDerWaalsContact O-CB 3.29Å; F236-T240 WeakPolarHBondContact O-CB 3.36Å; F236-T240 PolarHBondContact O-N 2.96Å; F236-T240 PolarHBondContact O-OG1 2.9Å; F236-L279 HydrophobicContact CE1-CD1 3.76Å; F236-L279 HydrophobicContact CZ-CD1 3.71Å; F236-T283 HydrophobicContact CD1-CG2 4.17Å; F236-T283 HydrophobicContact CE1-CG2 3.95Å; F236-L287 HydrophobicContact CE1-CD1 3.74Å; F236-L287 HydrophobicContact CE1-CD2 3.95Å; F236-L287 HydrophobicContact CE1-CG 4.34Å; F236-L287 HydrophobicContact CZ-CD1 3.92Å; F236-L287 HydrophobicContact CZ-CD2 4.02Å
237	L	97.3	Very high	95.6	Very high	15 Å²	15	45 Å²	45	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-42	176.9	-68.6	173.9	0	0	0	111.4	E233 T240 E241 E286 L287 K290	E233-L237 HydrophobicContact CG-CD1 4.03Å; E233-L237 HydrophobicContact CG-CG 4.36Å; E233-L237 WeakPolarHBondContact O-CB 3.37Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.44Å; E233-L237 PolarHBondContact O-N 3.17Å; L237-T240 PolarHBondContact O-N 3.2Å; L237-E241 PolarHBondContact O-N 2.83Å; L237-E286 HydrophobicContact CD1-CB 4Å; L237-L287 HydrophobicContact CD2-CB 4Å; L237-L287 HydrophobicContact CD2-CD1 4.03Å; L237-K290 HydrophobicContact CD2-CG 4.48Å
238	A	96.5	Very high	95.8	Very high	52 Å²	52	44.4 Å²	44.4	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-42.3	176.7	0	0	0	0	0	112.5	S234 Q235 E241 R242	S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 2.95Å; S234-A238 VanDerWaalsContact O-N 3.12Å; Q235-A238 PolarHBondContact O-N 3.01Å; A238-E241 PolarHBondContact O-N 3.11Å; A238-R242 PolarHBondContact O-N 3.09Å
239	D	96.5	Very high	95.9	Very high	31 Å²	31	47.3 Å²	47.3	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-39.9	176.3	-169	75.9	0	0	0	111.6	L184 Q235 F236 R242 F243	L184-D239 HydrophobicContact CD2-CB 4.47Å; Q235-D239 WeakPolarHBondContact O-CB 3.34Å; Q235-D239 PolarHBondContact O-N 3.23Å; F236-D239 PolarHBondContact O-N 3.05Å; D239-R242 PolarHBondContact O-N 2.86Å; D239-F243 WeakPolarHBondContact O-CB 3.14Å; D239-F243 PolarHBondContact O-N 3.27Å
240	T	97	Very high	96	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-45.7	174.9	-58	0	0	0	0	112.3	R191 F236 L237 R242 F243 Y244 L287	R191-T240 PolarHBondContact NH1-OG1 3.19Å; R191-T240 VanDerWaalsContact NH2-CG2 3.3Å; R191-T240 PolarHBondContact NH2-OG1 3.46Å; F236-T240 WeakPolarHBondContact CE2-OG1 3.17Å; F236-T240 VanDerWaalsContact O-CB 3.29Å; F236-T240 WeakPolarHBondContact O-CB 3.36Å; F236-T240 PolarHBondContact O-N 2.96Å; F236-T240 PolarHBondContact O-OG1 2.9Å; L237-T240 PolarHBondContact O-N 3.2Å; T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 3.12Å; T240-F243 PolarHBondContact O-N 2.99Å; T240-Y244 HydrophobicContact CG2-CD2 3.56Å; T240-Y244 HydrophobicContact CG2-CE2 3.66Å; T240-Y244 WeakPolarHBondContact O-CD2 3.29Å; T240-Y244 PolarHBondContact O-N 3.49Å; T240-L287 HydrophobicContact CG2-CD1 3.75Å
241	E	97.1	Very high	96.3	Very high	50 Å²	50	43.6 Å²	43.6	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-43.9	174.8	165.8	161.8	-158.2	0	0	111.2	L237 A238 T245 K290 V294 K298	L237-E241 PolarHBondContact O-N 2.83Å; A238-E241 PolarHBondContact O-N 3.11Å; E241-T245 WeakPolarHBondContact O-CB 3.27Å; E241-T245 PolarHBondContact O-N 2.58Å; E241-T245 PolarHBondContact O-OG1 3.27Å; E241-K290 IonicContact OE2-NZ 2.95Å; E241-K290 PolarHBondContact OE2-NZ 3.08Å; E241-V294 HydrophobicContact CB-CG2 4.16Å; E241-V294 HydrophobicContact CG-CG2 3.73Å; E241-K298 IonicContact OE1-NZ 2.76Å; E241-K298 PolarHBondContact OE1-NZ 3.44Å
242	R	96.8	Very high	96.4	Very high	180 Å²	180	43.6 Å²	43.6	68%	0.679	22%	0.216	S	C	*	.	H	α-helix	trans	-64.4	-45.2	178.3	-173	-178	178.9	-159.2	0.1	111.9	A238 D239 T240 T245 R246	A238-R242 PolarHBondContact O-N 3.09Å; D239-R242 PolarHBondContact O-N 2.86Å; T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 3.12Å; R242-T245 PolarHBondContact O-N 2.68Å; R242-R246 PolarHBondContact O-N 3.4Å; R242-R246 VanDerWaalsContact O-N 3.13Å
243	F	97.4	Very high	96.3	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.039	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-53.9	179	179.7	-88.1	0	0	0	111	E188 R191 D239 T240 T245 R246 E247	E188-F243 HydrophobicContact CG-CD2 3.97Å; E188-F243 HydrophobicContact CG-CE2 3.98Å; R191-F243 HydrophobicContact CB-CE1 3.88Å; R191-F243 HydrophobicContact CB-CE2 4.14Å; R191-F243 HydrophobicContact CB-CZ 3.59Å; R191-F243 HydrophobicContact CG-CE1 4.33Å; R191-F243 HydrophobicContact CG-CZ 4.47Å; D239-F243 WeakPolarHBondContact O-CB 3.14Å; D239-F243 PolarHBondContact O-N 3.27Å; T240-F243 PolarHBondContact O-N 2.99Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 2.81Å; F243-R246 PolarHBondContact O-N 2.94Å; F243-E247 HydrophobicContact CE1-CB 4.4Å; F243-E247 PolarHBondContact O-N 3.01Å
244	Y	97.7	Very high	96.3	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-72.6	-26.3	-177.6	-75.4	-54	0	0	0	113.2	T240 E247 S248 R267 E271 V294 L295	T240-Y244 HydrophobicContact CG2-CD2 3.56Å; T240-Y244 HydrophobicContact CG2-CE2 3.66Å; T240-Y244 WeakPolarHBondContact O-CD2 3.29Å; T240-Y244 PolarHBondContact O-N 3.49Å; Y244-E247 WeakPolarHBondContact CE1-OE2 3.14Å; Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 3.48Å; Y244-S248 PolarHBondContact O-OG 3.11Å; Y244-R267 HydrophobicContact CE1-CB 3.88Å; Y244-R267 HydrophobicContact CE1-CG 3.72Å; Y244-E271 HydrophobicContact CE2-CG 3.76Å; Y244-E271 WeakPolarHBondContact OH-CG 3.17Å; Y244-E271 PolarHBondContact OH-OE1 3.4Å; Y244-V294 VanDerWaalsContact C-CG1 3.46Å; Y244-L295 HydrophobicContact CD1-CD1 4.36Å; Y244-L295 HydrophobicContact CD1-CD2 3.82Å; Y244-L295 HydrophobicContact CD1-CG 4.47Å; Y244-L295 HydrophobicContact CG-CD1 4.4Å; Y244-L295 HydrophobicContact CG-CD2 4.01Å; Y244-L295 HydrophobicContact CG-CG 4.33Å
245	T	96.7	Very high	96.3	Very high	44 Å²	44	57.4 Å²	57.4	27%	0.27	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-46.8	171.9	-62.2	0	0	0	0	109.8	E241 R242 F243 S248 T249 V294 K298	E241-T245 WeakPolarHBondContact O-CB 3.27Å; E241-T245 PolarHBondContact O-N 2.58Å; E241-T245 PolarHBondContact O-OG1 3.27Å; R242-T245 PolarHBondContact O-N 2.68Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 2.81Å; T245-S248 PolarHBondContact O-OG 2.74Å; T245-T249 PolarHBondContact O-N 3.05Å; T245-T249 PolarHBondContact O-OG1 3.26Å; T245-T249 VanDerWaalsContact O-OG1 3.05Å; T245-V294 VanDerWaalsContact N-CG1 3.27Å; T245-V294 VanDerWaalsContact OG1-CG1 3.31Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.48Å; T245-K298 PolarHBondContact OG1-NZ 3.29Å
246	R	96.5	Very high	96.3	Very high	107 Å²	107	56.4 Å²	56.4	40%	0.404	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-51.8	176.5	-179.4	178.6	60.4	-160.8	-1.9	111.6	E188 R242 F243 S248 T249 E250	E188-R246 IonicContact OE1-NH2 2.77Å; E188-R246 PolarHBondContact OE1-NH2 3.25Å; R242-R246 PolarHBondContact O-N 3.4Å; R242-R246 VanDerWaalsContact O-N 3.13Å; F243-R246 PolarHBondContact O-N 2.94Å; R246-S248 PolarHBondContact O-N 2.8Å; R246-T249 PolarHBondContact O-N 2.9Å; R246-E250 VanDerWaalsContact CG-OE1 3.27Å; R246-E250 WeakPolarHBondContact CG-OE1 3.19Å; R246-E250 WeakPolarHBondContact O-CB 3.48Å; R246-E250 WeakPolarHBondContact O-CG 3.46Å; R246-E250 PolarHBondContact O-N 3.35Å
247	E	96.4	Very high	96.2	Very high	27 Å²	27	57.3 Å²	57.3	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-45.1	-177.2	-178.4	177.7	-130.2	0	0	111.8	F243 Y244 F251 K263 R267	F243-E247 HydrophobicContact CE1-CB 4.4Å; F243-E247 PolarHBondContact O-N 3.01Å; Y244-E247 WeakPolarHBondContact CE1-OE2 3.14Å; E247-F251 WeakPolarHBondContact O-CB 3.35Å; E247-F251 PolarHBondContact O-N 3.5Å; E247-K263 WeakPolarHBondContact OE1-CE 3.5Å; E247-K263 IonicContact OE1-NZ 2.74Å; E247-K263 PolarHBondContact OE1-NZ 3.42Å; E247-R267 IonicContact OE1-CZ 3.23Å; E247-R267 IonicContact OE1-NE 2.74Å; E247-R267 PolarHBondContact OE1-NE 3.44Å; E247-R267 IonicContact OE1-NH2 2.75Å; E247-R267 PolarHBondContact OE1-NH2 3.4Å; E247-R267 IonicContact OE2-CZ 3.42Å; E247-R267 IonicContact OE2-NE 3.67Å; E247-R267 PolarHBondContact OE2-NE 3.11Å; E247-R267 IonicContact OE2-NH2 3.22Å
248	S	96.5	Very high	96.2	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-44.7	-178	58.1	0	0	0	0	112.3	Y244 T245 R246 F251 L252 Y260 H299	Y244-S248 WeakPolarHBondContact O-CB 3.32Å; Y244-S248 PolarHBondContact O-N 3.48Å; Y244-S248 PolarHBondContact O-OG 3.11Å; T245-S248 PolarHBondContact O-OG 2.74Å; R246-S248 PolarHBondContact O-N 2.8Å; S248-F251 PolarHBondContact O-N 2.93Å; S248-L252 WeakPolarHBondContact O-CB 3.18Å; S248-L252 WeakPolarHBondContact O-CG 3.1Å; S248-L252 PolarHBondContact O-N 3.49Å; S248-Y260 VanDerWaalsContact CB-OH 3.25Å; S248-Y260 WeakPolarHBondContact CB-OH 3.48Å; S248-H299 VanDerWaalsContact CB-NE2 3.33Å; S248-H299 WeakPolarHBondContact CB-NE2 3.39Å; S248-H299 PolarHBondContact OG-NE2 3.39Å
249	T	95.4	Very high	96.2	Very high	61 Å²	61	58.6 Å²	58.6	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-45.9	177.7	-57.4	0	0	0	0	112	T245 R246 Q253	T245-T249 PolarHBondContact O-N 3.05Å; T245-T249 PolarHBondContact O-OG1 3.26Å; T245-T249 VanDerWaalsContact O-OG1 3.05Å; R246-T249 PolarHBondContact O-N 2.9Å; T249-Q253 VanDerWaalsContact O-CG 3.32Å; T249-Q253 WeakPolarHBondContact O-CG 3.49Å; T249-Q253 PolarHBondContact O-N 3.25Å
250	E	95.9	Very high	96.2	Very high	101 Å²	101	57.3 Å²	57.3	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178.1	-73.6	174	-173.6	0	0	111.7	R246 Q253 Q254	R246-E250 VanDerWaalsContact CG-OE1 3.27Å; R246-E250 WeakPolarHBondContact CG-OE1 3.19Å; R246-E250 WeakPolarHBondContact O-CB 3.48Å; R246-E250 WeakPolarHBondContact O-CG 3.46Å; R246-E250 PolarHBondContact O-N 3.35Å; E250-Q253 PolarHBondContact O-N 3.2Å; E250-Q254 PolarHBondContact O-N 3.41Å
251	F	96.1	Very high	96.2	Very high	41 Å²	41	57.2 Å²	57.2	18%	0.18	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-42.9	-178.5	-164.4	-87.9	0	0	0	112	E247 S248 Q253 Q254 N255 E259 Y260 K263	E247-F251 WeakPolarHBondContact O-CB 3.35Å; E247-F251 PolarHBondContact O-N 3.5Å; S248-F251 PolarHBondContact O-N 2.93Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.02Å; F251-Q254 PolarHBondContact O-N 3.49Å; F251-N255 HydrophobicContact CD1-CB 3.89Å; F251-N255 HydrophobicContact CE1-CB 3.55Å; F251-N255 HydrophobicContact CZ-CB 3.98Å; F251-N255 WeakPolarHBondContact O-CB 3.49Å; F251-N255 PolarHBondContact O-N 3.48Å; F251-N255 PolarHBondContact O-ND2 2.9Å; F251-E259 HydrophobicContact CE1-CB 4.29Å; F251-Y260 HydrophobicContact CB-CD2 4.46Å; F251-Y260 AromaticContact CD1-CD2 3.86Å; F251-Y260 HydrophobicContact CD1-CD2 3.86Å; F251-Y260 HydrophobicContact CD1-CG 4.43Å; F251-K263 HydrophobicContact CD1-CD 4.22Å; F251-K263 HydrophobicContact CD2-CD 3.52Å; F251-K263 HydrophobicContact CE1-CB 4.39Å; F251-K263 HydrophobicContact CE1-CD 4.13Å; F251-K263 HydrophobicContact CE2-CD 3.41Å; F251-K263 VanDerWaalsContact CE2-CD 3.41Å; F251-K263 HydrophobicContact CG-CD 3.91Å; F251-K263 HydrophobicContact CZ-CB 4.41Å; F251-K263 HydrophobicContact CZ-CD 3.73Å
252	L	95.4	Very high	96.2	Very high	28 Å²	28	58.9 Å²	58.9	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-27.6	177.6	-79.3	167	0	0	0	113.2	S248 Q254 V257 Y260 H299 I302	S248-L252 WeakPolarHBondContact O-CB 3.18Å; S248-L252 WeakPolarHBondContact O-CG 3.1Å; S248-L252 PolarHBondContact O-N 3.49Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-V257 HydrophobicContact CD2-CG2 4.22Å; L252-Y260 HydrophobicContact CD1-CD1 4.22Å; L252-Y260 HydrophobicContact CD1-CD2 4.37Å; L252-Y260 HydrophobicContact CD1-CE1 4.08Å; L252-Y260 HydrophobicContact CD1-CE2 4.25Å; L252-Y260 HydrophobicContact CD1-CG 4.35Å; L252-Y260 HydrophobicContact CD2-CD1 3.66Å; L252-Y260 HydrophobicContact CD2-CD2 4.09Å; L252-Y260 HydrophobicContact CD2-CE1 4.35Å; L252-Y260 HydrophobicContact CD2-CG 3.49Å; L252-Y260 VanDerWaalsContact CD2-CG 3.49Å; L252-Y260 HydrophobicContact CG-CD1 4.06Å; L252-Y260 HydrophobicContact CG-CD2 3.8Å; L252-Y260 HydrophobicContact CG-CE1 4.37Å; L252-Y260 HydrophobicContact CG-CE2 4.15Å; L252-Y260 HydrophobicContact CG-CG 3.74Å; L252-H299 HydrophobicContact CD1-CB 4.21Å; L252-H299 WeakPolarHBondContact CD1-ND1 3.48Å; L252-I302 HydrophobicContact CD1-CD1 4.09Å
253	Q	94.1	Very high	96.2	Very high	150 Å²	150	53 Å²	53	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-71	-26.4	174.8	-76.2	176.2	5.6	0	0	113.1	T249 E250 F251	T249-Q253 VanDerWaalsContact O-CG 3.32Å; T249-Q253 WeakPolarHBondContact O-CG 3.49Å; T249-Q253 PolarHBondContact O-N 3.25Å; E250-Q253 PolarHBondContact O-N 3.2Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.02Å
254	Q	94.3	Very high	96.2	Very high	151 Å²	151	52.7 Å²	52.7	71%	0.706	26%	0.258	S	S	*	.	H	α-helix	trans	-109.1	-17.2	-171.5	-63.5	176.8	14.7	0	0	113.3	E250 F251 L252	E250-Q254 PolarHBondContact O-N 3.41Å; F251-Q254 PolarHBondContact O-N 3.49Å; L252-Q254 VanDerWaalsContact C-N 3.3Å
255	N	95.9	Very high	96.1	Very high	57 Å²	57	56.4 Å²	56.4	31%	0.305	28%	0.275	S	S	.	.	S	Bend	trans	-133.3	153.1	-170.7	-59.2	-87.4	0	0	0	111.7	F251	F251-N255 HydrophobicContact CD1-CB 3.89Å; F251-N255 HydrophobicContact CE1-CB 3.55Å; F251-N255 HydrophobicContact CZ-CB 3.98Å; F251-N255 WeakPolarHBondContact O-CB 3.49Å; F251-N255 PolarHBondContact O-N 3.48Å; F251-N255 PolarHBondContact O-ND2 2.9Å
256	P	95.1	Very high	96.1	Very high	77 Å²	77	56.3 Å²	56.3	50%	0.5	28%	0.279	S	S	.	.			trans	-59.8	150.5	172.2	-20.9	32.6	0	0	0	112.4	T258 E259 Y260	P256-T258 PolarHBondContact O-N 3.34Å; P256-E259 PolarHBondContact O-N 3.47Å; P256-E259 VanDerWaalsContact O-N 3.1Å; P256-Y260 PolarHBondContact O-N 2.64Å; P256-Y260 VanDerWaalsContact O-N 3.1Å
257	V	96	Very high	96.1	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.109	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-33	178	179.5	0	0	0	0	111.7	L252 E259 Y260 M261 I302 F303 E306	L252-V257 HydrophobicContact CD2-CG2 4.22Å; V257-E259 PolarHBondContact O-N 3.25Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.38Å; V257-M261 WeakPolarHBondContact O-CG 3.33Å; V257-M261 PolarHBondContact O-N 2.78Å; V257-I302 HydrophobicContact CG1-CG2 4.29Å; V257-I302 HydrophobicContact CG2-CG2 3.41Å; V257-I302 VanDerWaalsContact CG2-CG2 3.41Å; V257-F303 HydrophobicContact CG1-CD1 4.04Å; V257-F303 HydrophobicContact CG1-CE1 4.23Å; V257-E306 HydrophobicContact CB-CB 4.08Å; V257-E306 HydrophobicContact CB-CG 3.76Å; V257-E306 HydrophobicContact CG1-CB 3.91Å; V257-E306 HydrophobicContact CG1-CG 3.89Å; V257-E306 HydrophobicContact CG2-CB 4.26Å; V257-E306 HydrophobicContact CG2-CG 4.33Å
258	T	96.2	Very high	96.1	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.3	46	0	0	0	0	113.5	P256 M261 K262 L310 D318	P256-T258 PolarHBondContact O-N 3.34Å; T258-M261 HydrophobicContact CG2-CE 4.1Å; T258-K262 PolarHBondContact O-N 2.83Å; T258-L310 HydrophobicContact CG2-CD2 3.69Å; T258-D318 HydrophobicContact CG2-CB 4.15Å
259	E	96.6	Very high	96.1	Very high	81 Å²	81	55.8 Å²	55.8	38%	0.379	28%	0.282	S	S	.	.	H	α-helix	trans	-72.8	-35.2	173.9	-67.4	-54.3	126.7	0	0	111.4	F251 P256 V257 M261 K262 K263	F251-E259 HydrophobicContact CE1-CB 4.29Å; P256-E259 PolarHBondContact O-N 3.47Å; P256-E259 VanDerWaalsContact O-N 3.1Å; V257-E259 PolarHBondContact O-N 3.25Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.31Å; E259-K262 PolarHBondContact O-N 2.88Å; E259-K262 IonicContact OE1-NZ 3.2Å; E259-K262 PolarHBondContact OE1-NZ 3.43Å; E259-K262 IonicContact OE2-NZ 3.96Å; E259-K263 PolarHBondContact O-N 2.91Å
260	Y	97.7	Very high	96.1	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-42.4	173.2	175.1	-103.8	0	0	0	112	S248 F251 L252 P256 V257 K262 K263 A264 L295 H299 F303	S248-Y260 VanDerWaalsContact CB-OH 3.25Å; S248-Y260 WeakPolarHBondContact CB-OH 3.48Å; F251-Y260 HydrophobicContact CB-CD2 4.46Å; F251-Y260 AromaticContact CD1-CD2 3.86Å; F251-Y260 HydrophobicContact CD1-CD2 3.86Å; F251-Y260 HydrophobicContact CD1-CG 4.43Å; L252-Y260 HydrophobicContact CD1-CD1 4.22Å; L252-Y260 HydrophobicContact CD1-CD2 4.37Å; L252-Y260 HydrophobicContact CD1-CE1 4.08Å; L252-Y260 HydrophobicContact CD1-CE2 4.25Å; L252-Y260 HydrophobicContact CD1-CG 4.35Å; L252-Y260 HydrophobicContact CD2-CD1 3.66Å; L252-Y260 HydrophobicContact CD2-CD2 4.09Å; L252-Y260 HydrophobicContact CD2-CE1 4.35Å; L252-Y260 HydrophobicContact CD2-CG 3.49Å; L252-Y260 VanDerWaalsContact CD2-CG 3.49Å; L252-Y260 HydrophobicContact CG-CD1 4.06Å; L252-Y260 HydrophobicContact CG-CD2 3.8Å; L252-Y260 HydrophobicContact CG-CE1 4.37Å; L252-Y260 HydrophobicContact CG-CE2 4.15Å; L252-Y260 HydrophobicContact CG-CG 3.74Å; P256-Y260 PolarHBondContact O-N 2.64Å; P256-Y260 VanDerWaalsContact O-N 3.1Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.38Å; Y260-K262 VanDerWaalsContact C-N 3.33Å; Y260-K262 PolarHBondContact O-N 3.39Å; Y260-K263 CarbonylContact O-C 3.52Å; Y260-K263 WeakPolarHBondContact O-CB 3.46Å; Y260-K263 PolarHBondContact O-N 3.45Å; Y260-K263 VanDerWaalsContact O-N 3.11Å; Y260-A264 HydrophobicContact CE1-CB 4.43Å; Y260-A264 WeakPolarHBondContact O-CB 3.39Å; Y260-A264 PolarHBondContact O-N 2.69Å; Y260-L295 WeakPolarHBondContact CE1-O 3.25Å; Y260-L295 WeakPolarHBondContact OH-CA 3.46Å; Y260-L295 PolarHBondContact OH-O 3.47Å; Y260-H299 PolarHBondContact OH-CD2 3.37Å; Y260-F303 AromaticContact CD1-CE1 3.73Å; Y260-F303 HydrophobicContact CD1-CE1 3.73Å; Y260-F303 HydrophobicContact CD1-CZ 4Å; Y260-F303 AromaticContact CE1-CE1 3.67Å; Y260-F303 HydrophobicContact CE1-CE1 3.67Å; Y260-F303 AromaticContact CE1-CZ 3.73Å; Y260-F303 HydrophobicContact CE1-CZ 3.73Å
261	M	97	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-42.1	177.2	-72.5	-169.6	-69.7	0	0	112.3	V257 T258 E259 K263 A264 E265 F303 L310 D318 R321 M322 L325	V257-M261 WeakPolarHBondContact O-CG 3.33Å; V257-M261 PolarHBondContact O-N 2.78Å; T258-M261 HydrophobicContact CG2-CE 4.1Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.31Å; M261-K263 VanDerWaalsContact C-N 3.32Å; M261-K263 PolarHBondContact O-N 2.91Å; M261-A264 PolarHBondContact O-N 2.87Å; M261-E265 WeakPolarHBondContact O-CB 3.34Å; M261-E265 PolarHBondContact O-N 3.12Å; M261-F303 HydrophobicContact CG-CE1 4.49Å; M261-F303 HydrophobicContact CG-CE2 4.5Å; M261-F303 HydrophobicContact CG-CZ 4.17Å; M261-L310 HydrophobicContact CE-CD1 4.07Å; M261-D318 HydrophobicContact CE-CB 4.31Å; M261-R321 HydrophobicContact CB-CG 4.24Å; M261-M322 HydrophobicContact CE-CB 4.4Å; M261-M322 HydrophobicContact CE-CE 3.96Å; M261-M322 HydrophobicContact SD-CB 3.53Å; M261-M322 VanDerWaalsContact SD-CB 3.53Å; M261-M322 HydrophobicContact SD-CE 3.68Å; M261-M322 HydrophobicContact SD-CG 3.88Å; M261-L325 HydrophobicContact CB-CD1 3.68Å; M261-L325 HydrophobicContact CG-CD1 3.79Å; M261-L325 HydrophobicContact SD-CD1 4.37Å
262	K	97.2	Very high	96.2	Very high	84 Å²	84	52.7 Å²	52.7	37%	0.365	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-42.3	174.5	-66	172.7	-174.1	168.2	0	111.1	T258 E259 Y260 E265 A266	T258-K262 PolarHBondContact O-N 2.83Å; E259-K262 PolarHBondContact O-N 2.88Å; E259-K262 IonicContact OE1-NZ 3.2Å; E259-K262 PolarHBondContact OE1-NZ 3.43Å; E259-K262 IonicContact OE2-NZ 3.96Å; Y260-K262 VanDerWaalsContact C-N 3.33Å; Y260-K262 PolarHBondContact O-N 3.39Å; K262-E265 PolarHBondContact O-N 3.42Å; K262-A266 WeakPolarHBondContact O-CB 3.13Å; K262-A266 PolarHBondContact O-N 3.11Å
263	K	96	Very high	96.2	Very high	58 Å²	58	57.5 Å²	57.5	25%	0.252	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-44.1	177.7	-171.2	167.7	-179.6	-179.3	0	111.7	E247 F251 E259 Y260 M261 E265 A266 R267	E247-K263 WeakPolarHBondContact OE1-CE 3.5Å; E247-K263 IonicContact OE1-NZ 2.74Å; E247-K263 PolarHBondContact OE1-NZ 3.42Å; F251-K263 HydrophobicContact CD1-CD 4.22Å; F251-K263 HydrophobicContact CD2-CD 3.52Å; F251-K263 HydrophobicContact CE1-CB 4.39Å; F251-K263 HydrophobicContact CE1-CD 4.13Å; F251-K263 HydrophobicContact CE2-CD 3.41Å; F251-K263 VanDerWaalsContact CE2-CD 3.41Å; F251-K263 HydrophobicContact CG-CD 3.91Å; F251-K263 HydrophobicContact CZ-CB 4.41Å; F251-K263 HydrophobicContact CZ-CD 3.73Å; E259-K263 PolarHBondContact O-N 2.91Å; Y260-K263 CarbonylContact O-C 3.52Å; Y260-K263 WeakPolarHBondContact O-CB 3.46Å; Y260-K263 PolarHBondContact O-N 3.45Å; Y260-K263 VanDerWaalsContact O-N 3.11Å; M261-K263 VanDerWaalsContact C-N 3.32Å; M261-K263 PolarHBondContact O-N 2.91Å; K263-E265 PolarHBondContact O-N 3.16Å; K263-A266 PolarHBondContact O-N 3.23Å; K263-R267 HydrophobicContact CG-CG 4.42Å; K263-R267 WeakPolarHBondContact O-CG 3.45Å; K263-R267 PolarHBondContact O-N 3.05Å
264	A	97	Very high	96.2	Very high	1 Å²	1	51 Å²	51	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-45	176.9	0	0	0	0	0	111.5	Y260 M261 A266 R267 L268	Y260-A264 HydrophobicContact CE1-CB 4.43Å; Y260-A264 WeakPolarHBondContact O-CB 3.39Å; Y260-A264 PolarHBondContact O-N 2.69Å; M261-A264 PolarHBondContact O-N 2.87Å; A264-A266 PolarHBondContact O-N 3.4Å; A264-R267 PolarHBondContact O-N 2.73Å; A264-L268 VanDerWaalsContact O-CG 3.31Å; A264-L268 WeakPolarHBondContact O-CG 3.29Å; A264-L268 PolarHBondContact O-N 2.84Å
265	E	96.2	Very high	96.3	Very high	80 Å²	80	44 Å²	44	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-46.2	174.6	-177.5	174.2	-147.7	0	0	112	M261 K262 K263 R267 L268 L269 R321 L325	M261-E265 WeakPolarHBondContact O-CB 3.34Å; M261-E265 PolarHBondContact O-N 3.12Å; K262-E265 PolarHBondContact O-N 3.42Å; K263-E265 PolarHBondContact O-N 3.16Å; E265-R267 PolarHBondContact O-N 3.25Å; E265-L268 PolarHBondContact O-N 3.39Å; E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 2.99Å; E265-R321 IonicContact OE2-NE 3.13Å; E265-L325 HydrophobicContact CB-CD2 4.42Å
266	A	96.8	Very high	96.3	Very high	42 Å²	42	47.6 Å²	47.6	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-44.9	177.1	0	0	0	0	0	112.2	K262 K263 A264 L268 L269 E270	K262-A266 WeakPolarHBondContact O-CB 3.13Å; K262-A266 PolarHBondContact O-N 3.11Å; K263-A266 PolarHBondContact O-N 3.23Å; A264-A266 PolarHBondContact O-N 3.4Å; A266-L268 PolarHBondContact O-N 3.11Å; A266-L269 PolarHBondContact O-N 3.37Å; A266-E270 WeakPolarHBondContact O-CG 3.37Å; A266-E270 PolarHBondContact O-N 2.71Å
267	R	96.4	Very high	96.2	Very high	28 Å²	28	47.9 Å²	47.9	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-41.2	178.6	-70.4	-53.6	-162.8	-171	2.6	112.6	R191 Y244 E247 K263 A264 E265 L269 E270 E271 L295	R191-R267 VanDerWaalsContact O-CZ 3.31Å; R191-R267 PolarHBondContact O-NH1 3.01Å; R191-R267 PolarHBondContact O-NH2 2.75Å; Y244-R267 HydrophobicContact CE1-CB 3.88Å; Y244-R267 HydrophobicContact CE1-CG 3.72Å; E247-R267 IonicContact OE1-CZ 3.23Å; E247-R267 IonicContact OE1-NE 2.74Å; E247-R267 PolarHBondContact OE1-NE 3.44Å; E247-R267 IonicContact OE1-NH2 2.75Å; E247-R267 PolarHBondContact OE1-NH2 3.4Å; E247-R267 IonicContact OE2-CZ 3.42Å; E247-R267 IonicContact OE2-NE 3.67Å; E247-R267 PolarHBondContact OE2-NE 3.11Å; E247-R267 IonicContact OE2-NH2 3.22Å; K263-R267 HydrophobicContact CG-CG 4.42Å; K263-R267 WeakPolarHBondContact O-CG 3.45Å; K263-R267 PolarHBondContact O-N 3.05Å; A264-R267 PolarHBondContact O-N 2.73Å; E265-R267 PolarHBondContact O-N 3.25Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.29Å; R267-E270 WeakPolarHBondContact CD-OE2 3.27Å; R267-E270 IonicContact CZ-OE2 2.75Å; R267-E270 IonicContact NH1-OE1 3.74Å; R267-E270 IonicContact NH1-OE2 3.21Å; R267-E270 PolarHBondContact NH1-OE2 3.5Å; R267-E270 PolarHBondContact O-N 2.78Å; R267-E271 WeakPolarHBondContact O-CG 3.25Å; R267-E271 PolarHBondContact O-N 3.2Å; R267-L295 HydrophobicContact CB-CD1 4.13Å
268	L	96.6	Very high	96.1	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-42.7	175.4	-71.2	168	0	0	0	111.6	A264 E265 A266 Q272 C291 E292 L295 I296 L325	A264-L268 VanDerWaalsContact O-CG 3.31Å; A264-L268 WeakPolarHBondContact O-CG 3.29Å; A264-L268 PolarHBondContact O-N 2.84Å; E265-L268 PolarHBondContact O-N 3.39Å; A266-L268 PolarHBondContact O-N 3.11Å; L268-Q272 WeakPolarHBondContact O-CB 3.34Å; L268-Q272 PolarHBondContact O-N 2.9Å; L268-C291 HydrophobicContact CD2-CB 3.7Å; L268-E292 HydrophobicContact CD2-CG 4.16Å; L268-L295 HydrophobicContact CD2-CD1 4.31Å; L268-L295 HydrophobicContact CG-CD1 4.36Å; L268-I296 HydrophobicContact CD1-CD1 4.2Å; L268-L325 HydrophobicContact CD1-CD2 4.02Å
269	L	96.5	Very high	96.1	Very high	78 Å²	78	47.6 Å²	47.6	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-37	176.3	-69	172.7	0	0	0	112.6	E265 A266 R267 R273	E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 2.99Å; A266-L269 PolarHBondContact O-N 3.37Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.29Å; L269-R273 WeakPolarHBondContact O-CG 3.19Å; L269-R273 PolarHBondContact O-N 3.44Å
270	E	96.2	Very high	96	Very high	51 Å²	51	46 Å²	46	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-47.8	174.9	-72.7	172.5	-167	0	0	111.9	A266 R267 Q272 R273 R274	A266-E270 WeakPolarHBondContact O-CG 3.37Å; A266-E270 PolarHBondContact O-N 2.71Å; R267-E270 WeakPolarHBondContact CD-OE2 3.27Å; R267-E270 IonicContact CZ-OE2 2.75Å; R267-E270 IonicContact NH1-OE1 3.74Å; R267-E270 IonicContact NH1-OE2 3.21Å; R267-E270 PolarHBondContact NH1-OE2 3.5Å; R267-E270 PolarHBondContact O-N 2.78Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 3.02Å; E270-R273 VanDerWaalsContact CG-NH2 3.31Å; E270-R273 WeakPolarHBondContact O-CB 3.5Å; E270-R273 PolarHBondContact O-N 3.02Å; E270-R273 VanDerWaalsContact O-N 3.12Å; E270-R274 WeakPolarHBondContact O-CG 3.47Å; E270-R274 PolarHBondContact O-N 3.13Å; E270-R274 IonicContact OE2-NH1 3.33Å
271	E	96.2	Very high	95.8	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-38.6	177.3	-67.6	-57.6	135.8	0	0	111.9	R191 Y244 R267 R273 R274 V275 L287	R191-E271 IonicContact CZ-OE1 3.84Å; R191-E271 IonicContact CZ-OE2 2.75Å; R191-E271 IonicContact NE-OE1 3.27Å; R191-E271 PolarHBondContact NE-OE1 3.07Å; R191-E271 IonicContact NE-OE2 3.99Å; R191-E271 IonicContact NH2-OE1 2.95Å; R191-E271 PolarHBondContact NH2-OE1 2.91Å; R191-E271 IonicContact NH2-OE2 2.88Å; R191-E271 PolarHBondContact NH2-OE2 3.43Å; Y244-E271 HydrophobicContact CE2-CG 3.76Å; Y244-E271 WeakPolarHBondContact OH-CG 3.17Å; Y244-E271 PolarHBondContact OH-OE1 3.4Å; R267-E271 WeakPolarHBondContact O-CG 3.25Å; R267-E271 PolarHBondContact O-N 3.2Å; E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 3Å; E271-R274 WeakPolarHBondContact O-CB 3.45Å; E271-R274 PolarHBondContact O-N 3.45Å; E271-R274 IonicContact OE1-CZ 3.24Å; E271-R274 IonicContact OE1-NE 2.7Å; E271-R274 IonicContact OE1-NH1 2.7Å; E271-R274 PolarHBondContact OE1-NH1 3.48Å; E271-V275 PolarHBondContact O-N 3.44Å; E271-L287 HydrophobicContact CB-CD2 4.02Å; E271-L287 HydrophobicContact CB-CG 4.4Å
272	Q	96.1	Very high	95.6	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-42.8	172.6	-172.9	-178.9	7.1	0	0	111.8	L268 E270 V275 Q276	L268-Q272 WeakPolarHBondContact O-CB 3.34Å; L268-Q272 PolarHBondContact O-N 2.9Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 3.02Å; Q272-V275 PolarHBondContact O-N 2.92Å; Q272-Q276 WeakPolarHBondContact O-CG 3.49Å; Q272-Q276 PolarHBondContact O-N 2.99Å
273	R	95.9	Very high	95.5	Very high	128 Å²	128	50.8 Å²	50.8	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-39.9	175.5	-76.3	-170.9	-66.1	-94.5	1.8	112.2	L269 E270 E271 V275 Q276 V277	L269-R273 WeakPolarHBondContact O-CG 3.19Å; L269-R273 PolarHBondContact O-N 3.44Å; E270-R273 VanDerWaalsContact CG-NH2 3.31Å; E270-R273 WeakPolarHBondContact O-CB 3.5Å; E270-R273 PolarHBondContact O-N 3.02Å; E270-R273 VanDerWaalsContact O-N 3.12Å; E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 3Å; R273-V275 PolarHBondContact O-N 3.4Å; R273-Q276 PolarHBondContact O-N 2.67Å; R273-Q276 VanDerWaalsContact O-N 3.08Å; R273-V277 VanDerWaalsContact O-CG2 3.3Å; R273-V277 WeakPolarHBondContact O-CG2 3.31Å; R273-V277 PolarHBondContact O-N 3.29Å
274	R	95.2	Very high	95.5	Very high	14 Å²	14	51.2 Å²	51.2	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-41.8	177	-71.9	178.7	171.6	96.3	20	111.6	E190 E270 E271 Q276 V277 Y278	E190-R274 IonicContact OE2-CZ 2.91Å; E190-R274 IonicContact OE2-NE 3.61Å; E190-R274 PolarHBondContact OE2-NE 3.12Å; E190-R274 IonicContact OE2-NH2 3.9Å; E190-R274 PolarHBondContact OE2-NH2 3.48Å; E270-R274 WeakPolarHBondContact O-CG 3.47Å; E270-R274 PolarHBondContact O-N 3.13Å; E270-R274 IonicContact OE2-NH1 3.33Å; E271-R274 WeakPolarHBondContact O-CB 3.45Å; E271-R274 PolarHBondContact O-N 3.45Å; E271-R274 IonicContact OE1-CZ 3.24Å; E271-R274 IonicContact OE1-NE 2.7Å; E271-R274 IonicContact OE1-NH1 2.7Å; E271-R274 PolarHBondContact OE1-NH1 3.48Å; R274-Q276 VanDerWaalsContact C-N 3.34Å; R274-Q276 PolarHBondContact O-N 3.38Å; R274-V277 PolarHBondContact O-N 2.68Å; R274-Y278 HydrophobicContact CB-CE1 4.33Å; R274-Y278 HydrophobicContact CB-CE2 4.23Å; R274-Y278 VanDerWaalsContact CD-OH 3.24Å; R274-Y278 WeakPolarHBondContact CD-OH 3.19Å; R274-Y278 HydrophobicContact CG-CE1 4.26Å; R274-Y278 WeakPolarHBondContact CG-OH 3.2Å; R274-Y278 PolarHBondContact O-N 3.14Å; R274-Y278 VanDerWaalsContact O-N 3.1Å
275	V	95.9	Very high	95.4	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-46.3	176.2	179.8	0	0	0	0	111.3	E271 Q272 R273 V277 L279 Q284 L287	E271-V275 PolarHBondContact O-N 3.44Å; Q272-V275 PolarHBondContact O-N 2.92Å; R273-V275 PolarHBondContact O-N 3.4Å; V275-V277 VanDerWaalsContact C-N 3.31Å; V275-V277 PolarHBondContact O-N 3.29Å; V275-L279 HydrophobicContact CG1-CB 4.43Å; V275-L279 HydrophobicContact CG2-CD1 3.89Å; V275-L279 PolarHBondContact O-N 3.44Å; V275-L279 VanDerWaalsContact O-O 3.08Å; V275-Q284 HydrophobicContact CG1-CB 3.98Å; V275-Q284 HydrophobicContact CG1-CG 4.44Å; V275-L287 HydrophobicContact CG2-CD2 3.56Å
276	Q	94.9	Very high	95.3	Very high	131 Å²	131	56.2 Å²	56.2	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-30.7	-179.7	-65.9	172.9	-0.3	0	0	113.8	Q272 R273 R274	Q272-Q276 WeakPolarHBondContact O-CG 3.49Å; Q272-Q276 PolarHBondContact O-N 2.99Å; R273-Q276 PolarHBondContact O-N 2.67Å; R273-Q276 VanDerWaalsContact O-N 3.08Å; R274-Q276 VanDerWaalsContact C-N 3.34Å; R274-Q276 PolarHBondContact O-N 3.38Å
277	V	94.5	Very high	95.3	Very high	84 Å²	84	54.3 Å²	54.3	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-84.7	-43.6	-175	177.9	0	0	0	0	112	T198 R273 R274 V275	T198-V277 HydrophobicContact CG2-CG1 4.19Å; R273-V277 VanDerWaalsContact O-CG2 3.3Å; R273-V277 WeakPolarHBondContact O-CG2 3.31Å; R273-V277 PolarHBondContact O-N 3.29Å; R274-V277 PolarHBondContact O-N 2.68Å; V275-V277 VanDerWaalsContact C-N 3.31Å; V275-V277 PolarHBondContact O-N 3.29Å
278	Y	93.8	Very high	95.3	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-148.1	-0.9	-169	58.5	-112.3	0	0	0	117	I187 E190 T198 I201 S202 R274	I187-Y278 HydrophobicContact CD1-CE2 4.08Å; I187-Y278 HydrophobicContact CG1-CE2 4.21Å; E190-Y278 PolarHBondContact OE2-OH 2.74Å; E190-Y278 VanDerWaalsContact OE2-OH 3.07Å; T198-Y278 HydrophobicContact CG2-CD1 3.94Å; T198-Y278 HydrophobicContact CG2-CE1 4.2Å; I201-Y278 HydrophobicContact CB-CD2 4.13Å; I201-Y278 HydrophobicContact CB-CG 4.18Å; I201-Y278 HydrophobicContact CD1-CD2 4.38Å; I201-Y278 HydrophobicContact CD1-CE1 4.32Å; I201-Y278 HydrophobicContact CD1-CE2 4.16Å; I201-Y278 HydrophobicContact CG2-CD2 3.38Å; I201-Y278 HydrophobicContact CG2-CE2 3.92Å; I201-Y278 HydrophobicContact CG2-CG 3.92Å; S202-Y278 VanDerWaalsContact OG-CB 3.24Å; S202-Y278 WeakPolarHBondContact OG-CB 3.35Å; R274-Y278 HydrophobicContact CB-CE1 4.33Å; R274-Y278 HydrophobicContact CB-CE2 4.23Å; R274-Y278 VanDerWaalsContact CD-OH 3.24Å; R274-Y278 WeakPolarHBondContact CD-OH 3.19Å; R274-Y278 HydrophobicContact CG-CE1 4.26Å; R274-Y278 WeakPolarHBondContact CG-OH 3.2Å; R274-Y278 PolarHBondContact O-N 3.14Å; R274-Y278 VanDerWaalsContact O-N 3.1Å
279	L	95	Very high	95.3	Very high	17 Å²	17	61 Å²	61	9%	0.089	29%	0.294	C	S	.	.	S	Bend	trans	-103.1	168.8	175.1	-49.5	171.4	0	0	0	111.3	V205 F232 F236 V275 T283 L287	V205-L279 HydrophobicContact CG2-CD2 4.41Å; F232-L279 HydrophobicContact CE1-CD2 3.72Å; F232-L279 HydrophobicContact CZ-CD2 3.82Å; F236-L279 HydrophobicContact CE1-CD1 3.76Å; F236-L279 HydrophobicContact CZ-CD1 3.71Å; V275-L279 HydrophobicContact CG1-CB 4.43Å; V275-L279 HydrophobicContact CG2-CD1 3.89Å; V275-L279 PolarHBondContact O-N 3.44Å; V275-L279 VanDerWaalsContact O-O 3.08Å; L279-T283 HydrophobicContact CD1-CG2 4.48Å; L279-L287 HydrophobicContact CD1-CD2 4.48Å
280	H	94	Very high	95.2	Very high	48 Å²	48	60.4 Å²	60.4	22%	0.222	29%	0.288	C	S	.	.			trans	-77.7	142.8	173.6	-168.4	-94.1	0	0	0	110.8	V209 Y228 S282 T283	V209-H280 HydrophobicContact CG2-CB 4.39Å; Y228-H280 HydrophobicContact CD1-CB 4.36Å; Y228-H280 HydrophobicContact CE1-CB 3.74Å; Y228-H280 HydrophobicContact CE2-CB 4.22Å; Y228-H280 PolarHBondContact OH-N 2.83Å; H280-S282 WeakPolarHBondContact ND1-CB 3.22Å; H280-S282 PolarHBondContact ND1-N 2.81Å; H280-S282 PolarHBondContact ND1-OG 3.3Å; H280-S282 PolarHBondContact O-N 2.86Å; H280-S282 VanDerWaalsContact O-N 3.11Å; H280-T283 WeakPolarHBondContact O-CB 3.26Å; H280-T283 PolarHBondContact O-N 3.13Å; H280-T283 PolarHBondContact O-OG1 3.48Å
281	E	94	Very high	95.3	Very high	155 Å²	155	58 Å²	58	72%	0.724	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.7	-177.5	62.5	-178.4	-178.5	0	0	113.6	T283 Q284	E281-T283 PolarHBondContact O-N 3.46Å; E281-T283 VanDerWaalsContact O-N 3.12Å; E281-Q284 WeakPolarHBondContact O-CB 3.24Å; E281-Q284 PolarHBondContact O-N 3.48Å; E281-Q284 VanDerWaalsContact O-N 3.09Å
282	S	92.8	Very high	95.3	Very high	34 Å²	34	59.2 Å²	59.2	24%	0.238	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.4	176.9	65.5	0	0	0	0	113.9	H280 Q284	H280-S282 WeakPolarHBondContact ND1-CB 3.22Å; H280-S282 PolarHBondContact ND1-N 2.81Å; H280-S282 PolarHBondContact ND1-OG 3.3Å; H280-S282 PolarHBondContact O-N 2.86Å; H280-S282 VanDerWaalsContact O-N 3.11Å; S282-Q284 VanDerWaalsContact C-N 3.31Å
283	T	95.3	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-78.3	-18	-179.4	-55.2	0	0	0	0	112	Y228 E233 F236 L279 H280 E281 D285 E286 L287	Y228-T283 WeakPolarHBondContact CE1-OG1 3.47Å; Y228-T283 PolarHBondContact OH-OG1 3.05Å; E233-T283 HydrophobicContact CG-CG2 4.16Å; E233-T283 WeakPolarHBondContact OE1-CA 3.4Å; E233-T283 VanDerWaalsContact OE1-CB 3.27Å; E233-T283 WeakPolarHBondContact OE1-CB 3.49Å; E233-T283 PolarHBondContact OE1-N 3.23Å; E233-T283 PolarHBondContact OE1-OG1 2.92Å; F236-T283 HydrophobicContact CD1-CG2 4.17Å; F236-T283 HydrophobicContact CE1-CG2 3.95Å; L279-T283 HydrophobicContact CD1-CG2 4.48Å; H280-T283 WeakPolarHBondContact O-CB 3.26Å; H280-T283 PolarHBondContact O-N 3.13Å; H280-T283 PolarHBondContact O-OG1 3.48Å; E281-T283 PolarHBondContact O-N 3.46Å; E281-T283 VanDerWaalsContact O-N 3.12Å; T283-D285 PolarHBondContact O-N 3.48Å; T283-E286 PolarHBondContact O-N 3.05Å; T283-L287 HydrophobicContact CG2-CB 4.14Å; T283-L287 WeakPolarHBondContact O-CB 3.36Å; T283-L287 PolarHBondContact O-N 2.93Å
284	Q	95.4	Very high	95.2	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-57.1	-50.9	-172	-166.5	162.1	-28.2	0	0	112.6	V275 E281 S282 A288	V275-Q284 HydrophobicContact CG1-CB 3.98Å; V275-Q284 HydrophobicContact CG1-CG 4.44Å; E281-Q284 WeakPolarHBondContact O-CB 3.24Å; E281-Q284 PolarHBondContact O-N 3.48Å; E281-Q284 VanDerWaalsContact O-N 3.09Å; S282-Q284 VanDerWaalsContact C-N 3.31Å; Q284-A288 VanDerWaalsContact O-CB 3.22Å; Q284-A288 WeakPolarHBondContact O-CB 3.46Å; Q284-A288 PolarHBondContact O-N 3.19Å
285	D	95	Very high	95.3	Very high	116 Å²	116	52 Å²	52	62%	0.62	26%	0.256	S	S	*	.	H	α-helix	trans	-74.5	-32.9	-174.8	-63.5	-29.7	0	0	0	113	T283 R289	T283-D285 PolarHBondContact O-N 3.48Å; D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.93Å; D285-R289 PolarHBondContact O-NE 3.37Å; D285-R289 VanDerWaalsContact O-NE 3.11Å
286	E	95.2	Very high	95.3	Very high	69 Å²	69	51.8 Å²	51.8	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-73.3	-41.3	175.6	-79.6	-177.2	-163	0	0	111.6	K229 L237 T283 R289 K290	K229-E286 IonicContact NZ-OE1 2.87Å; L237-E286 HydrophobicContact CD1-CB 4Å; T283-E286 PolarHBondContact O-N 3.05Å; E286-R289 VanDerWaalsContact CG-NH2 3.28Å; E286-K290 PolarHBondContact O-N 3.47Å
287	L	96.9	Very high	95.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-47.5	175.6	179.9	62.2	0	0	0	111.3	F236 L237 T240 E271 V275 L279 T283 R289 K290 C291	F236-L287 HydrophobicContact CE1-CD1 3.74Å; F236-L287 HydrophobicContact CE1-CD2 3.95Å; F236-L287 HydrophobicContact CE1-CG 4.34Å; F236-L287 HydrophobicContact CZ-CD1 3.92Å; F236-L287 HydrophobicContact CZ-CD2 4.02Å; L237-L287 HydrophobicContact CD2-CB 4Å; L237-L287 HydrophobicContact CD2-CD1 4.03Å; T240-L287 HydrophobicContact CG2-CD1 3.75Å; E271-L287 HydrophobicContact CB-CD2 4.02Å; E271-L287 HydrophobicContact CB-CG 4.4Å; V275-L287 HydrophobicContact CG2-CD2 3.56Å; L279-L287 HydrophobicContact CD1-CD2 4.48Å; T283-L287 HydrophobicContact CG2-CB 4.14Å; T283-L287 WeakPolarHBondContact O-CB 3.36Å; T283-L287 PolarHBondContact O-N 2.93Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.24Å; L287-K290 PolarHBondContact O-N 3.1Å; L287-K290 VanDerWaalsContact O-N 3.16Å; L287-C291 WeakPolarHBondContact O-CB 3.41Å; L287-C291 PolarHBondContact O-N 3.37Å; L287-C291 PolarHBondContact O-SG 3.11Å; L287-C291 VanDerWaalsContact O-SG 3.38Å
288	A	96	Very high	95.4	Very high	35 Å²	35	50.8 Å²	50.8	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-56.3	-49.6	178.1	0	0	0	0	0	111	Q284 K290 C291 E292	Q284-A288 VanDerWaalsContact O-CB 3.22Å; Q284-A288 WeakPolarHBondContact O-CB 3.46Å; Q284-A288 PolarHBondContact O-N 3.19Å; A288-K290 VanDerWaalsContact C-N 3.34Å; A288-K290 PolarHBondContact O-N 3.1Å; A288-C291 PolarHBondContact O-N 3.21Å; A288-E292 WeakPolarHBondContact O-CB 3.41Å; A288-E292 VanDerWaalsContact O-CG 3.24Å; A288-E292 WeakPolarHBondContact O-CG 3.38Å; A288-E292 PolarHBondContact O-N 3.04Å
289	R	95.8	Very high	95.4	Very high	153 Å²	153	51.5 Å²	51.5	58%	0.577	25%	0.246	S	C	*	.	H	α-helix	trans	-58.7	-42.8	176.5	-78.1	-176.4	-69.3	159.1	-4.2	112.7	D285 E286 L287 E292 Q293	D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.93Å; D285-R289 PolarHBondContact O-NE 3.37Å; D285-R289 VanDerWaalsContact O-NE 3.11Å; E286-R289 VanDerWaalsContact CG-NH2 3.28Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.24Å; R289-E292 PolarHBondContact O-N 3.22Å; R289-Q293 VanDerWaalsContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CB 3.42Å; R289-Q293 PolarHBondContact O-N 3.19Å
290	K	95.9	Very high	95.4	Very high	64 Å²	64	52 Å²	52	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-41.7	177.8	-82.2	-69	-177.2	-178.7	0	112.4	L237 E241 E286 L287 A288 V294	L237-K290 HydrophobicContact CD2-CG 4.48Å; E241-K290 IonicContact OE2-NZ 2.95Å; E241-K290 PolarHBondContact OE2-NZ 3.08Å; E286-K290 PolarHBondContact O-N 3.47Å; L287-K290 PolarHBondContact O-N 3.1Å; L287-K290 VanDerWaalsContact O-N 3.16Å; A288-K290 VanDerWaalsContact C-N 3.34Å; A288-K290 PolarHBondContact O-N 3.1Å; K290-V294 VanDerWaalsContact O-CG2 3.26Å; K290-V294 WeakPolarHBondContact O-CG2 3.47Å; K290-V294 PolarHBondContact O-N 3.4Å; K290-V294 VanDerWaalsContact O-N 3.13Å
291	C	96.8	Very high	95.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-44.7	175.3	-70.2	0	0	0	0	111.7	L268 L287 A288 V294 L295	L268-C291 HydrophobicContact CD2-CB 3.7Å; L287-C291 WeakPolarHBondContact O-CB 3.41Å; L287-C291 PolarHBondContact O-N 3.37Å; L287-C291 PolarHBondContact O-SG 3.11Å; L287-C291 VanDerWaalsContact O-SG 3.38Å; A288-C291 PolarHBondContact O-N 3.21Å; C291-V294 PolarHBondContact O-N 3.45Å; C291-L295 HydrophobicContact CB-CD1 4.32Å; C291-L295 WeakPolarHBondContact O-CB 3.33Å; C291-L295 WeakPolarHBondContact O-CG 3.33Å; C291-L295 PolarHBondContact O-N 2.9Å
292	E	96.2	Very high	95.5	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-43.9	178	-72.8	169.4	168.4	0	0	111.5	L268 A288 R289 V294 I296 E297 R328 I329	L268-E292 HydrophobicContact CD2-CG 4.16Å; A288-E292 WeakPolarHBondContact O-CB 3.41Å; A288-E292 VanDerWaalsContact O-CG 3.24Å; A288-E292 WeakPolarHBondContact O-CG 3.38Å; A288-E292 PolarHBondContact O-N 3.04Å; R289-E292 PolarHBondContact O-N 3.22Å; E292-V294 PolarHBondContact O-N 3.29Å; E292-I296 HydrophobicContact CG-CD1 4.38Å; E292-I296 WeakPolarHBondContact O-CA 3.31Å; E292-I296 VanDerWaalsContact O-CB 3.27Å; E292-I296 WeakPolarHBondContact O-CB 3.39Å; E292-I296 PolarHBondContact O-N 3.01Å; E292-E297 PolarHBondContact O-N 3.26Å; E292-R328 HydrophobicContact CG-CB 4.26Å; E292-R328 IonicContact OE1-NH1 3.61Å; E292-R328 PolarHBondContact OE1-NH1 3.43Å; E292-I329 HydrophobicContact CB-CD1 3.87Å
293	Q	95.4	Very high	95.6	Very high	70 Å²	70	51.7 Å²	51.7	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-57.7	-46.9	174.4	175.1	168.6	57.5	0	0	112	R289 E297 K298	R289-Q293 VanDerWaalsContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CB 3.42Å; R289-Q293 PolarHBondContact O-N 3.19Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.35Å; Q293-E297 WeakPolarHBondContact O-CB 3.49Å; Q293-E297 PolarHBondContact O-N 3Å; Q293-K298 WeakPolarHBondContact O-CG 3.38Å; Q293-K298 PolarHBondContact O-N 2.88Å
294	V	96.1	Very high	95.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-80.5	-40.4	-173	175.3	0	0	0	0	112.6	E241 Y244 T245 K290 C291 E292 H299	E241-V294 HydrophobicContact CB-CG2 4.16Å; E241-V294 HydrophobicContact CG-CG2 3.73Å; Y244-V294 VanDerWaalsContact C-CG1 3.46Å; T245-V294 VanDerWaalsContact N-CG1 3.27Å; T245-V294 VanDerWaalsContact OG1-CG1 3.31Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.48Å; K290-V294 VanDerWaalsContact O-CG2 3.26Å; K290-V294 WeakPolarHBondContact O-CG2 3.47Å; K290-V294 PolarHBondContact O-N 3.4Å; K290-V294 VanDerWaalsContact O-N 3.13Å; C291-V294 PolarHBondContact O-N 3.45Å; E292-V294 PolarHBondContact O-N 3.29Å; V294-H299 PolarHBondContact O-CD2 2.9Å
295	L	96.6	Very high	95.6	Very high	2 Å²	2	55 Å²	55	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-85.7	-25.6	-175.2	-64.7	173	0	0	0	112.8	Y244 Y260 R267 L268 C291	Y244-L295 HydrophobicContact CD1-CD1 4.36Å; Y244-L295 HydrophobicContact CD1-CD2 3.82Å; Y244-L295 HydrophobicContact CD1-CG 4.47Å; Y244-L295 HydrophobicContact CG-CD1 4.4Å; Y244-L295 HydrophobicContact CG-CD2 4.01Å; Y244-L295 HydrophobicContact CG-CG 4.33Å; Y260-L295 WeakPolarHBondContact CE1-O 3.25Å; Y260-L295 WeakPolarHBondContact OH-CA 3.46Å; Y260-L295 PolarHBondContact OH-O 3.47Å; R267-L295 HydrophobicContact CB-CD1 4.13Å; L268-L295 HydrophobicContact CD2-CD1 4.31Å; L268-L295 HydrophobicContact CG-CD1 4.36Å; C291-L295 HydrophobicContact CB-CD1 4.32Å; C291-L295 WeakPolarHBondContact O-CB 3.33Å; C291-L295 WeakPolarHBondContact O-CG 3.33Å; C291-L295 PolarHBondContact O-N 2.9Å
296	I	96.4	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-61.4	-173.6	-48.2	175.3	0	0	0	110.2	L268 E292 K298 H299 L300 F303 L325 V326 I329	L268-I296 HydrophobicContact CD1-CD1 4.2Å; E292-I296 HydrophobicContact CG-CD1 4.38Å; E292-I296 WeakPolarHBondContact O-CA 3.31Å; E292-I296 VanDerWaalsContact O-CB 3.27Å; E292-I296 WeakPolarHBondContact O-CB 3.39Å; E292-I296 PolarHBondContact O-N 3.01Å; I296-K298 PolarHBondContact O-N 3.05Å; I296-H299 CarbonylContact O-C 3.55Å; I296-H299 PolarHBondContact O-N 3.01Å; I296-L300 PolarHBondContact O-N 3.45Å; I296-L300 VanDerWaalsContact O-N 3.17Å; I296-F303 HydrophobicContact CG2-CD2 4.45Å; I296-F303 HydrophobicContact CG2-CE2 3.98Å; I296-L325 HydrophobicContact CD1-CB 4.13Å; I296-L325 HydrophobicContact CD1-CD2 4.08Å; I296-L325 WeakPolarHBondContact CD1-O 3.42Å; I296-V326 HydrophobicContact CG2-CG2 4.46Å; I296-I329 HydrophobicContact CB-CD1 4.11Å; I296-I329 HydrophobicContact CB-CG1 4.06Å; I296-I329 HydrophobicContact CG2-CD1 4.3Å; I296-I329 HydrophobicContact CG2-CG1 3.68Å
297	E	95.3	Very high	95.7	Very high	91 Å²	91	48 Å²	48	43%	0.425	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.3	-46.3	-171.2	-165.9	-176.5	-178.8	0	0	112.5	E292 Q293 H299 L300 I329	E292-E297 PolarHBondContact O-N 3.26Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.35Å; Q293-E297 WeakPolarHBondContact O-CB 3.49Å; Q293-E297 PolarHBondContact O-N 3Å; E297-H299 PolarHBondContact O-N 3.32Å; E297-H299 VanDerWaalsContact O-N 3.12Å; E297-L300 HydrophobicContact CG-CD1 4.19Å; E297-L300 PolarHBondContact O-N 2.61Å; E297-I329 HydrophobicContact CB-CD1 4.12Å; E297-I329 HydrophobicContact CB-CG1 4.5Å; E297-I329 HydrophobicContact CB-CG2 4.47Å; E297-I329 HydrophobicContact CG-CG2 4.18Å
298	K	94.8	Very high	95.7	Very high	103 Å²	103	50 Å²	50	45%	0.448	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.4	-19.9	177.7	-75.2	-173.9	-173.1	175.3	0	114.1	E241 T245 Q293 I296	E241-K298 IonicContact OE1-NZ 2.76Å; E241-K298 PolarHBondContact OE1-NZ 3.44Å; T245-K298 PolarHBondContact OG1-NZ 3.29Å; Q293-K298 WeakPolarHBondContact O-CG 3.38Å; Q293-K298 PolarHBondContact O-N 2.88Å; I296-K298 PolarHBondContact O-N 3.05Å
299	H	95.2	Very high	95.7	Very high	21 Å²	21	52.2 Å²	52.2	10%	0.097	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-115.2	13.4	-175.8	-57.6	-61.8	0	0	0	113	S248 L252 Y260 V294 I296 E297 E301 I302 F303	S248-H299 VanDerWaalsContact CB-NE2 3.33Å; S248-H299 WeakPolarHBondContact CB-NE2 3.39Å; S248-H299 PolarHBondContact OG-NE2 3.39Å; L252-H299 HydrophobicContact CD1-CB 4.21Å; L252-H299 WeakPolarHBondContact CD1-ND1 3.48Å; Y260-H299 PolarHBondContact OH-CD2 3.37Å; V294-H299 PolarHBondContact O-CD2 2.9Å; I296-H299 CarbonylContact O-C 3.55Å; I296-H299 PolarHBondContact O-N 3.01Å; E297-H299 PolarHBondContact O-N 3.32Å; E297-H299 VanDerWaalsContact O-N 3.12Å; H299-E301 VanDerWaalsContact C-N 3.28Å; H299-E301 PolarHBondContact O-N 3.3Å; H299-I302 HydrophobicContact CB-CD1 4.49Å; H299-I302 WeakPolarHBondContact O-CB 3.31Å; H299-I302 PolarHBondContact O-N 2.93Å; H299-I302 VanDerWaalsContact O-N 3.09Å; H299-F303 HydrophobicContact CB-CE1 4.31Å; H299-F303 WeakPolarHBondContact O-CD1 3.48Å; H299-F303 PolarHBondContact O-N 3Å; H299-F303 VanDerWaalsContact O-N 3.14Å
300	L	94.1	Very high	95.8	Very high	28 Å²	28	45 Å²	45	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-38.3	-177.1	-86	170.6	0	0	0	113.3	I296 E297 I302 F303 H304 V326 I329	I296-L300 PolarHBondContact O-N 3.45Å; I296-L300 VanDerWaalsContact O-N 3.17Å; E297-L300 HydrophobicContact CG-CD1 4.19Å; E297-L300 PolarHBondContact O-N 2.61Å; L300-I302 VanDerWaalsContact C-N 3.31Å; L300-I302 PolarHBondContact O-N 2.96Å; L300-F303 CarbonylContact O-C 3.49Å; L300-F303 WeakPolarHBondContact O-CB 3.23Å; L300-F303 PolarHBondContact O-N 3.36Å; L300-F303 VanDerWaalsContact O-N 3.1Å; L300-H304 PolarHBondContact O-CD2 3.21Å; L300-H304 VanDerWaalsContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.41Å; L300-H304 PolarHBondContact O-ND1 3.38Å; L300-V326 HydrophobicContact CD2-CG1 3.91Å; L300-V326 HydrophobicContact CD2-CG2 4.05Å; L300-I329 HydrophobicContact CD1-CG2 4.31Å
301	E	93.8	Very high	95.8	Very high	162 Å²	162	42.1 Å²	42.1	76%	0.757	21%	0.207	S	C	*	.	H	α-helix	trans	-61.4	-39.8	178.3	-67	-171.8	168.2	0	0	112.5	H299 F303 H304 T305	H299-E301 VanDerWaalsContact C-N 3.28Å; H299-E301 PolarHBondContact O-N 3.3Å; E301-F303 VanDerWaalsContact C-N 3.31Å; E301-H304 PolarHBondContact O-N 3.39Å; E301-T305 PolarHBondContact O-N 2.85Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3.3Å
302	I	95.4	Very high	95.7	Very high	69 Å²	69	46.3 Å²	46.3	35%	0.354	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-40.6	175.6	-60.3	173.2	0	0	0	109.5	L252 V257 H299 L300 H304 T305 E306	L252-I302 HydrophobicContact CD1-CD1 4.09Å; V257-I302 HydrophobicContact CG1-CG2 4.29Å; V257-I302 HydrophobicContact CG2-CG2 3.41Å; V257-I302 VanDerWaalsContact CG2-CG2 3.41Å; H299-I302 HydrophobicContact CB-CD1 4.49Å; H299-I302 WeakPolarHBondContact O-CB 3.31Å; H299-I302 PolarHBondContact O-N 2.93Å; H299-I302 VanDerWaalsContact O-N 3.09Å; L300-I302 VanDerWaalsContact C-N 3.31Å; L300-I302 PolarHBondContact O-N 2.96Å; I302-H304 VanDerWaalsContact C-N 3.35Å; I302-T305 PolarHBondContact O-N 2.7Å; I302-E306 WeakPolarHBondContact O-CB 3.39Å; I302-E306 PolarHBondContact O-N 3.3Å
303	F	95.9	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-40.8	177.1	-74.1	21.5	0	0	0	110.8	V257 Y260 M261 I296 H299 L300 E301 T305 E306 F307 M322 L325 V326	V257-F303 HydrophobicContact CG1-CD1 4.04Å; V257-F303 HydrophobicContact CG1-CE1 4.23Å; Y260-F303 AromaticContact CD1-CE1 3.73Å; Y260-F303 HydrophobicContact CD1-CE1 3.73Å; Y260-F303 HydrophobicContact CD1-CZ 4Å; Y260-F303 AromaticContact CE1-CE1 3.67Å; Y260-F303 HydrophobicContact CE1-CE1 3.67Å; Y260-F303 AromaticContact CE1-CZ 3.73Å; Y260-F303 HydrophobicContact CE1-CZ 3.73Å; M261-F303 HydrophobicContact CG-CE1 4.49Å; M261-F303 HydrophobicContact CG-CE2 4.5Å; M261-F303 HydrophobicContact CG-CZ 4.17Å; I296-F303 HydrophobicContact CG2-CD2 4.45Å; I296-F303 HydrophobicContact CG2-CE2 3.98Å; H299-F303 HydrophobicContact CB-CE1 4.31Å; H299-F303 WeakPolarHBondContact O-CD1 3.48Å; H299-F303 PolarHBondContact O-N 3Å; H299-F303 VanDerWaalsContact O-N 3.14Å; L300-F303 CarbonylContact O-C 3.49Å; L300-F303 WeakPolarHBondContact O-CB 3.23Å; L300-F303 PolarHBondContact O-N 3.36Å; L300-F303 VanDerWaalsContact O-N 3.1Å; E301-F303 VanDerWaalsContact C-N 3.31Å; F303-T305 PolarHBondContact O-N 3.44Å; F303-E306 PolarHBondContact O-N 3.08Å; F303-F307 VanDerWaalsContact O-CB 3.3Å; F303-F307 WeakPolarHBondContact O-CB 3.33Å; F303-F307 PolarHBondContact O-N 2.96Å; F303-M322 HydrophobicContact CB-CE 4.26Å; F303-M322 HydrophobicContact CB-SD 4.11Å; F303-M322 HydrophobicContact CD2-CG 4.25Å; F303-M322 WeakPolarHBondContact O-CE 3.43Å; F303-L325 HydrophobicContact CE2-CB 4.4Å; F303-L325 HydrophobicContact CE2-CD1 4.34Å; F303-V326 HydrophobicContact CD2-CG2 3.68Å; F303-V326 HydrophobicContact CE2-CG2 4.37Å
304	H	95.2	Very high	95.6	Very high	42 Å²	42	48.2 Å²	48.2	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177	-61.2	162.7	0	0	0	112.2	L300 E301 I302 F307 L339	L300-H304 PolarHBondContact O-CD2 3.21Å; L300-H304 VanDerWaalsContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.41Å; L300-H304 PolarHBondContact O-ND1 3.38Å; E301-H304 PolarHBondContact O-N 3.39Å; I302-H304 VanDerWaalsContact C-N 3.35Å; H304-F307 WeakPolarHBondContact O-CB 3.27Å; H304-F307 PolarHBondContact O-N 2.85Å; H304-L339 HydrophobicContact CB-CD1 4.07Å; H304-L339 WeakPolarHBondContact O-CD1 3.49Å
305	T	95.2	Very high	95.6	Very high	95 Å²	95	52.8 Å²	52.8	58%	0.583	27%	0.271	S	S	*	.	H	α-helix	trans	-65.6	-45	177.7	-60.4	0	0	0	0	110.9	E301 I302 F303 F307 Q308 N309	E301-T305 PolarHBondContact O-N 2.85Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3.3Å; I302-T305 PolarHBondContact O-N 2.7Å; F303-T305 PolarHBondContact O-N 3.44Å; T305-F307 VanDerWaalsContact C-N 3.32Å; T305-F307 PolarHBondContact O-N 3.02Å; T305-Q308 PolarHBondContact O-N 3.36Å; T305-N309 PolarHBondContact O-N 3.35Å
306	E	96.4	Very high	95.5	Very high	36 Å²	36	56.2 Å²	56.2	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-33.3	178.9	-172.6	69.2	173	0	0	112.3	V257 I302 F303 Q308 N309 L310 M322	V257-E306 HydrophobicContact CB-CB 4.08Å; V257-E306 HydrophobicContact CB-CG 3.76Å; V257-E306 HydrophobicContact CG1-CB 3.91Å; V257-E306 HydrophobicContact CG1-CG 3.89Å; V257-E306 HydrophobicContact CG2-CB 4.26Å; V257-E306 HydrophobicContact CG2-CG 4.33Å; I302-E306 WeakPolarHBondContact O-CB 3.39Å; I302-E306 PolarHBondContact O-N 3.3Å; F303-E306 PolarHBondContact O-N 3.08Å; E306-Q308 PolarHBondContact O-N 3.49Å; E306-N309 WeakPolarHBondContact O-CB 3.33Å; E306-N309 PolarHBondContact O-N 3.32Å; E306-N309 PolarHBondContact OE2-ND2 3.2Å; E306-L310 HydrophobicContact CG-CD1 4.15Å; E306-L310 HydrophobicContact CG-CG 4.07Å; E306-L310 VanDerWaalsContact O-CG 3.32Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.46Å; E306-M322 HydrophobicContact CB-CE 4.11Å; E306-M322 HydrophobicContact CG-CE 4.26Å
307	F	97.3	Very high	95.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-54.8	-41.9	176.3	-170.9	-107.7	0	0	0	111.6	F303 H304 T305 L310 L311 L319 M322 L336 L339 L340 F385 F391	F303-F307 VanDerWaalsContact O-CB 3.3Å; F303-F307 WeakPolarHBondContact O-CB 3.33Å; F303-F307 PolarHBondContact O-N 2.96Å; H304-F307 WeakPolarHBondContact O-CB 3.27Å; H304-F307 PolarHBondContact O-N 2.85Å; T305-F307 VanDerWaalsContact C-N 3.32Å; T305-F307 PolarHBondContact O-N 3.02Å; F307-L310 PolarHBondContact O-N 2.92Å; F307-L311 HydrophobicContact CD1-CD1 3.71Å; F307-L311 HydrophobicContact CD1-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.52Å; F307-L311 HydrophobicContact CE1-CG 4.14Å; F307-L311 HydrophobicContact CZ-CD1 4.29Å; F307-L311 VanDerWaalsContact O-CG 3.31Å; F307-L311 WeakPolarHBondContact O-CG 3.34Å; F307-L311 PolarHBondContact O-N 3.07Å; F307-L319 HydrophobicContact CD2-CD2 3.45Å; F307-L319 VanDerWaalsContact CD2-CD2 3.45Å; F307-L319 HydrophobicContact CE2-CD2 3.4Å; F307-L319 VanDerWaalsContact CE2-CD2 3.4Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.14Å; F307-M322 HydrophobicContact CB-CE 4.4Å; F307-M322 HydrophobicContact CB-SD 3.61Å; F307-M322 HydrophobicContact CD2-SD 3.54Å; F307-M322 VanDerWaalsContact CD2-SD 3.54Å; F307-M322 HydrophobicContact CG-SD 4.03Å; F307-L336 HydrophobicContact CB-CD2 3.85Å; F307-L336 HydrophobicContact CD1-CD2 3.93Å; F307-L336 HydrophobicContact CD2-CD1 4.43Å; F307-L336 HydrophobicContact CD2-CD2 3.86Å; F307-L336 HydrophobicContact CE1-CB 4.24Å; F307-L336 HydrophobicContact CE1-CD2 4.39Å; F307-L336 WeakPolarHBondContact CE1-O 3.42Å; F307-L336 HydrophobicContact CE2-CD1 4.36Å; F307-L336 HydrophobicContact CE2-CD2 4.33Å; F307-L336 HydrophobicContact CG-CD2 3.62Å; F307-L336 HydrophobicContact CZ-CB 4.21Å; F307-L339 HydrophobicContact CB-CD1 4.4Å; F307-L339 HydrophobicContact CD1-CB 3.84Å; F307-L339 HydrophobicContact CD1-CD1 4.03Å; F307-L339 HydrophobicContact CE1-CB 4.1Å; F307-L340 HydrophobicContact CE1-CB 4.3Å; F307-F385 HydrophobicContact CE2-CE1 4.06Å; F307-F385 AromaticContact CE2-CZ 3.95Å; F307-F385 HydrophobicContact CE2-CZ 3.95Å; F307-F385 HydrophobicContact CZ-CE1 4.28Å; F307-F385 AromaticContact CZ-CZ 3.79Å; F307-F385 HydrophobicContact CZ-CZ 3.79Å; F307-F391 HydrophobicContact CZ-CE1 4.27Å
308	Q	96.1	Very high	95.5	Very high	47 Å²	47	60.7 Å²	60.7	22%	0.22	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-44.9	176	-172.8	57.9	61.3	0	0	111.6	T305 E306 L310 L311 D312 H343	T305-Q308 PolarHBondContact O-N 3.36Å; E306-Q308 PolarHBondContact O-N 3.49Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.17Å; Q308-L311 WeakPolarHBondContact O-CB 3.41Å; Q308-L311 PolarHBondContact O-N 3.36Å; Q308-D312 PolarHBondContact NE2-OD1 3.23Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.07Å; Q308-D312 PolarHBondContact NE2-OD2 2.92Å; Q308-D312 VanDerWaalsContact O-CG 3.26Å; Q308-D312 PolarHBondContact O-N 3.42Å; Q308-H343 PolarHBondContact NE2-ND1 2.95Å; Q308-H343 VanDerWaalsContact NE2-ND1 3.18Å
309	N	96.2	Very high	95.6	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-40.4	176.8	-61.7	-27.7	0	0	0	112	T305 E306 D312 A313	T305-N309 PolarHBondContact O-N 3.35Å; E306-N309 WeakPolarHBondContact O-CB 3.33Å; E306-N309 PolarHBondContact O-N 3.32Å; E306-N309 PolarHBondContact OE2-ND2 3.2Å; N309-D312 PolarHBondContact O-N 2.99Å; N309-A313 VanDerWaalsContact O-CB 3.32Å; N309-A313 WeakPolarHBondContact O-CB 3.32Å; N309-A313 PolarHBondContact O-N 3.12Å
310	L	97.1	Very high	95.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-36.6	178.6	-65.5	176.1	0	0	0	112.3	T258 M261 E306 F307 Q308 A313 D314 K315 D318 L319 M322	T258-L310 HydrophobicContact CG2-CD2 3.69Å; M261-L310 HydrophobicContact CE-CD1 4.07Å; E306-L310 HydrophobicContact CG-CD1 4.15Å; E306-L310 HydrophobicContact CG-CG 4.07Å; E306-L310 VanDerWaalsContact O-CG 3.32Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.46Å; F307-L310 PolarHBondContact O-N 2.92Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.17Å; L310-A313 PolarHBondContact O-N 3.32Å; L310-D314 PolarHBondContact O-N 3.02Å; L310-D314 VanDerWaalsContact O-N 3.09Å; L310-K315 HydrophobicContact CB-CB 4.48Å; L310-K315 HydrophobicContact CD2-CB 3.89Å; L310-K315 HydrophobicContact CD2-CD 3.79Å; L310-K315 HydrophobicContact CD2-CG 4.34Å; L310-K315 PolarHBondContact O-N 3.26Å; L310-D318 HydrophobicContact CD1-CB 3.94Å; L310-D318 HydrophobicContact CD2-CB 3.94Å; L310-L319 HydrophobicContact CB-CD2 3.64Å; L310-L319 HydrophobicContact CB-CG 3.93Å; L310-L319 HydrophobicContact CD1-CD2 4.37Å; L310-M322 HydrophobicContact CD1-CE 3.76Å
311	L	96.4	Very high	95.8	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-45	172.1	-73.7	173	0	0	0	111.3	F307 Q308 A313 D314 L319 L340 H343 L380	F307-L311 HydrophobicContact CD1-CD1 3.71Å; F307-L311 HydrophobicContact CD1-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.52Å; F307-L311 HydrophobicContact CE1-CG 4.14Å; F307-L311 HydrophobicContact CZ-CD1 4.29Å; F307-L311 VanDerWaalsContact O-CG 3.31Å; F307-L311 WeakPolarHBondContact O-CG 3.34Å; F307-L311 PolarHBondContact O-N 3.07Å; Q308-L311 WeakPolarHBondContact O-CB 3.41Å; Q308-L311 PolarHBondContact O-N 3.36Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.94Å; L311-D314 PolarHBondContact O-N 3.11Å; L311-L319 HydrophobicContact CD2-CD1 3.81Å; L311-L319 HydrophobicContact CD2-CD2 4.09Å; L311-L319 HydrophobicContact CG-CD1 4.46Å; L311-L319 HydrophobicContact CG-CD2 4.07Å; L311-L340 HydrophobicContact CD1-CD1 4.3Å; L311-L340 HydrophobicContact CD2-CD1 3.67Å; L311-H343 HydrophobicContact CD1-CB 3.88Å; L311-L380 HydrophobicContact CD2-CD2 3.93Å
312	D	94.8	Very high	96	Very high	90 Å²	90	48.4 Å²	48.4	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-67.6	-28.6	179.9	-64.1	-25.8	0	0	0	112.4	Q308 N309 H343	Q308-D312 PolarHBondContact NE2-OD1 3.23Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.07Å; Q308-D312 PolarHBondContact NE2-OD2 2.92Å; Q308-D312 VanDerWaalsContact O-CG 3.26Å; Q308-D312 PolarHBondContact O-N 3.42Å; N309-D312 PolarHBondContact O-N 2.99Å; D312-H343 IonicContact OD1-CE1 3.75Å; D312-H343 PolarHBondContact OD1-CE1 3.28Å; D312-H343 IonicContact OD1-ND1 3.69Å; D312-H343 PolarHBondContact OD1-ND1 2.76Å
313	A	95.3	Very high	96.1	Very high	58 Å²	58	46.2 Å²	46.2	48%	0.479	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.8	177.6	0	0	0	0	0	114.7	N309 L310 L311 K315	N309-A313 VanDerWaalsContact O-CB 3.32Å; N309-A313 WeakPolarHBondContact O-CB 3.32Å; N309-A313 PolarHBondContact O-N 3.12Å; L310-A313 PolarHBondContact O-N 3.32Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.94Å; A313-K315 VanDerWaalsContact C-N 3.28Å; A313-K315 HydrophobicContact CB-CG 4.14Å; A313-K315 PolarHBondContact O-N 3.03Å
314	D	94	Very high	96.1	Very high	82 Å²	82	49.3 Å²	49.3	44%	0.439	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	35.9	-178.9	-71.4	-41.2	0	0	0	114.5	L310 L311 N316 K376	L310-D314 PolarHBondContact O-N 3.02Å; L310-D314 VanDerWaalsContact O-N 3.09Å; L311-D314 PolarHBondContact O-N 3.11Å; D314-N316 PolarHBondContact O-N 3.09Å; D314-N316 VanDerWaalsContact O-N 3.11Å; D314-N316 PolarHBondContact O-OD1 3.35Å; D314-K376 WeakPolarHBondContact OD1-CE 3.38Å; D314-K376 IonicContact OD1-NZ 3.91Å; D314-K376 PolarHBondContact OD1-NZ 2.96Å; D314-K376 IonicContact OD2-NZ 3.85Å; D314-K376 PolarHBondContact OD2-NZ 2.97Å
315	K	95.7	Very high	96.2	Very high	98 Å²	98	47.5 Å²	47.5	43%	0.426	25%	0.251	S	S	.	.			trans	-86.5	72.2	-179.1	-68.8	-164.3	-179.3	-179.9	0	112.9	L310 A313 E317 D318 L319	L310-K315 HydrophobicContact CB-CB 4.48Å; L310-K315 HydrophobicContact CD2-CB 3.89Å; L310-K315 HydrophobicContact CD2-CD 3.79Å; L310-K315 HydrophobicContact CD2-CG 4.34Å; L310-K315 PolarHBondContact O-N 3.26Å; A313-K315 VanDerWaalsContact C-N 3.28Å; A313-K315 HydrophobicContact CB-CG 4.14Å; A313-K315 PolarHBondContact O-N 3.03Å; K315-E317 PolarHBondContact O-N 3.02Å; K315-D318 HydrophobicContact CB-CB 4.28Å; K315-D318 WeakPolarHBondContact CD-OD2 3.32Å; K315-D318 PolarHBondContact O-N 3.5Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.3Å
316	N	94.8	Very high	96.2	Very high	73 Å²	73	43 Å²	43	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-37.2	-172.6	-61.3	-10.1	0	0	0	114.9	D314 L319 G320 L380	D314-N316 PolarHBondContact O-N 3.09Å; D314-N316 VanDerWaalsContact O-N 3.11Å; D314-N316 PolarHBondContact O-OD1 3.35Å; N316-L319 PolarHBondContact O-N 3.48Å; N316-G320 PolarHBondContact O-N 3.41Å; N316-L380 HydrophobicContact CB-CD1 4.11Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.4Å
317	E	95.4	Very high	96.2	Very high	162 Å²	162	43.9 Å²	43.9	76%	0.757	23%	0.233	S	C	*	.	H	α-helix	trans	-66.1	-41.8	178.5	-67.6	-174.6	179	0	0	112.1	K315 G320 R321	K315-E317 PolarHBondContact O-N 3.02Å; E317-G320 PolarHBondContact O-N 2.95Å; E317-R321 PolarHBondContact O-N 3.13Å
318	D	96.4	Very high	96	Very high	23 Å²	23	50 Å²	50	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-35.3	178.3	-66.8	-37.1	0	0	0	111.2	T258 M261 L310 K315 G320 R321 M322	T258-D318 HydrophobicContact CG2-CB 4.15Å; M261-D318 HydrophobicContact CE-CB 4.31Å; L310-D318 HydrophobicContact CD1-CB 3.94Å; L310-D318 HydrophobicContact CD2-CB 3.94Å; K315-D318 HydrophobicContact CB-CB 4.28Å; K315-D318 WeakPolarHBondContact CD-OD2 3.32Å; K315-D318 PolarHBondContact O-N 3.5Å; D318-G320 VanDerWaalsContact C-N 3.33Å; D318-R321 PolarHBondContact O-N 3.41Å; D318-R321 IonicContact OD1-CZ 3.87Å; D318-R321 IonicContact OD1-NH1 3.65Å; D318-R321 PolarHBondContact OD1-NH1 3.49Å; D318-M322 PolarHBondContact O-N 2.79Å
319	L	97.3	Very high	95.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-42.4	170.8	-71.1	168.8	0	0	0	111.6	F307 L310 L311 K315 N316 M322 Y323 L380 A384 F385	F307-L319 HydrophobicContact CD2-CD2 3.45Å; F307-L319 VanDerWaalsContact CD2-CD2 3.45Å; F307-L319 HydrophobicContact CE2-CD2 3.4Å; F307-L319 VanDerWaalsContact CE2-CD2 3.4Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.14Å; L310-L319 HydrophobicContact CB-CD2 3.64Å; L310-L319 HydrophobicContact CB-CG 3.93Å; L310-L319 HydrophobicContact CD1-CD2 4.37Å; L311-L319 HydrophobicContact CD2-CD1 3.81Å; L311-L319 HydrophobicContact CD2-CD2 4.09Å; L311-L319 HydrophobicContact CG-CD1 4.46Å; L311-L319 HydrophobicContact CG-CD2 4.07Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.3Å; N316-L319 PolarHBondContact O-N 3.48Å; L319-M322 PolarHBondContact O-N 3.37Å; L319-Y323 WeakPolarHBondContact O-CB 3.32Å; L319-Y323 PolarHBondContact O-N 2.86Å; L319-L380 HydrophobicContact CD1-CD1 3.85Å; L319-L380 HydrophobicContact CD1-CD2 4.24Å; L319-A384 HydrophobicContact CB-CB 4.45Å; L319-F385 HydrophobicContact CB-CE1 4.08Å; L319-F385 HydrophobicContact CB-CZ 4.24Å
320	G	97	Very high	95.5	Very high	10 Å²	10	53 Å²	53	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-39.9	176.1	0	0	0	0	0	112.8	N316 E317 D318 Y323 N324 A384	N316-G320 PolarHBondContact O-N 3.41Å; E317-G320 PolarHBondContact O-N 2.95Å; D318-G320 VanDerWaalsContact C-N 3.33Å; G320-Y323 PolarHBondContact O-N 3.03Å; G320-N324 PolarHBondContact O-N 3.24Å; G320-N324 PolarHBondContact O-ND2 3.11Å; G320-A384 VanDerWaalsContact CA-O 3.31Å; G320-A384 WeakPolarHBondContact CA-O 3.35Å
321	R	96.8	Very high	95	Very high	46 Å²	46	59.7 Å²	59.7	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-44.1	173.8	-166.9	176.6	-60.3	95.8	5.4	111.8	M261 E265 E317 D318 Y323 N324 L325	M261-R321 HydrophobicContact CB-CG 4.24Å; E265-R321 IonicContact OE2-NE 3.13Å; E317-R321 PolarHBondContact O-N 3.13Å; D318-R321 PolarHBondContact O-N 3.41Å; D318-R321 IonicContact OD1-CZ 3.87Å; D318-R321 IonicContact OD1-NH1 3.65Å; D318-R321 PolarHBondContact OD1-NH1 3.49Å; R321-Y323 VanDerWaalsContact C-N 3.33Å; R321-Y323 PolarHBondContact O-N 3.14Å; R321-N324 PolarHBondContact O-N 3.12Å; R321-L325 HydrophobicContact CG-CD1 4.36Å; R321-L325 WeakPolarHBondContact O-CG 3.47Å; R321-L325 PolarHBondContact O-N 3.45Å; R321-L325 VanDerWaalsContact O-N 3.08Å
322	M	97.2	Very high	94.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176.5	-167.7	175.9	-72.7	0	0	111.3	M261 F303 E306 F307 L310 D318 L319 N324 L325 V326 L336	M261-M322 HydrophobicContact CE-CB 4.4Å; M261-M322 HydrophobicContact CE-CE 3.96Å; M261-M322 HydrophobicContact SD-CB 3.53Å; M261-M322 VanDerWaalsContact SD-CB 3.53Å; M261-M322 HydrophobicContact SD-CE 3.68Å; M261-M322 HydrophobicContact SD-CG 3.88Å; F303-M322 HydrophobicContact CB-CE 4.26Å; F303-M322 HydrophobicContact CB-SD 4.11Å; F303-M322 HydrophobicContact CD2-CG 4.25Å; F303-M322 WeakPolarHBondContact O-CE 3.43Å; E306-M322 HydrophobicContact CB-CE 4.11Å; E306-M322 HydrophobicContact CG-CE 4.26Å; F307-M322 HydrophobicContact CB-CE 4.4Å; F307-M322 HydrophobicContact CB-SD 3.61Å; F307-M322 HydrophobicContact CD2-SD 3.54Å; F307-M322 VanDerWaalsContact CD2-SD 3.54Å; F307-M322 HydrophobicContact CG-SD 4.03Å; L310-M322 HydrophobicContact CD1-CE 3.76Å; D318-M322 PolarHBondContact O-N 2.79Å; L319-M322 PolarHBondContact O-N 3.37Å; M322-N324 PolarHBondContact O-N 3.02Å; M322-L325 PolarHBondContact O-N 3.5Å; M322-V326 HydrophobicContact CG-CG2 4.18Å; M322-V326 WeakPolarHBondContact O-CB 3.32Å; M322-V326 WeakPolarHBondContact O-CG2 3.41Å; M322-V326 PolarHBondContact O-N 3.1Å; M322-L336 HydrophobicContact SD-CD2 4.35Å
323	Y	97.3	Very high	94.7	Very high	23 Å²	23	56.7 Å²	56.7	9%	0.09	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-49.8	175.7	168.1	-94.8	0	0	0	111.9	L319 G320 R321 L325 V326 S327 L333 F385 N386 D388 F391	L319-Y323 WeakPolarHBondContact O-CB 3.32Å; L319-Y323 PolarHBondContact O-N 2.86Å; G320-Y323 PolarHBondContact O-N 3.03Å; R321-Y323 VanDerWaalsContact C-N 3.33Å; R321-Y323 PolarHBondContact O-N 3.14Å; Y323-L325 VanDerWaalsContact C-N 3.27Å; Y323-L325 PolarHBondContact O-N 2.76Å; Y323-V326 PolarHBondContact O-N 3.4Å; Y323-S327 VanDerWaalsContact O-CB 3.23Å; Y323-S327 WeakPolarHBondContact O-CB 3.43Å; Y323-S327 PolarHBondContact O-N 3.09Å; Y323-S327 PolarHBondContact O-OG 3.24Å; Y323-L333 HydrophobicContact CD2-CD1 4.47Å; Y323-L333 HydrophobicContact CD2-CD2 3.92Å; Y323-L333 HydrophobicContact CE2-CD1 3.93Å; Y323-L333 HydrophobicContact CE2-CD2 4.23Å; Y323-F385 HydrophobicContact CD2-CB 4.2Å; Y323-F385 HydrophobicContact CD2-CD1 4.01Å; Y323-F385 HydrophobicContact CD2-CG 4.47Å; Y323-F385 HydrophobicContact CE2-CB 4.35Å; Y323-F385 AromaticContact CG-CD1 3.93Å; Y323-F385 HydrophobicContact CG-CD1 3.93Å; Y323-N386 HydrophobicContact CE1-CB 4.19Å; Y323-D388 HydrophobicContact CE2-CB 4.16Å; Y323-F391 HydrophobicContact CD2-CD2 4.31Å; Y323-F391 AromaticContact CD2-CE2 3.65Å; Y323-F391 HydrophobicContact CD2-CE2 3.65Å; Y323-F391 HydrophobicContact CD2-CZ 4.21Å; Y323-F391 HydrophobicContact CE2-CD2 4.11Å; Y323-F391 AromaticContact CE2-CE2 3.76Å; Y323-F391 HydrophobicContact CE2-CE2 3.76Å
324	N	96.2	Very high	94.6	Very high	65 Å²	65	56 Å²	56	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-28.7	-179.2	-70.7	-29	0	0	0	113.7	G320 R321 M322 S327 R328	G320-N324 PolarHBondContact O-N 3.24Å; G320-N324 PolarHBondContact O-ND2 3.11Å; R321-N324 PolarHBondContact O-N 3.12Å; M322-N324 PolarHBondContact O-N 3.02Å; N324-S327 PolarHBondContact O-OG 3.21Å; N324-S327 VanDerWaalsContact O-OG 3.14Å; N324-R328 PolarHBondContact O-NE 2.83Å
325	L	96.6	Very high	94.7	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-75.8	-54.3	174.1	-71.1	171.1	0	0	0	110.3	M261 E265 L268 I296 F303 R321 M322 Y323 S327 R328	M261-L325 HydrophobicContact CB-CD1 3.68Å; M261-L325 HydrophobicContact CG-CD1 3.79Å; M261-L325 HydrophobicContact SD-CD1 4.37Å; E265-L325 HydrophobicContact CB-CD2 4.42Å; L268-L325 HydrophobicContact CD1-CD2 4.02Å; I296-L325 HydrophobicContact CD1-CB 4.13Å; I296-L325 HydrophobicContact CD1-CD2 4.08Å; I296-L325 WeakPolarHBondContact CD1-O 3.42Å; F303-L325 HydrophobicContact CE2-CB 4.4Å; F303-L325 HydrophobicContact CE2-CD1 4.34Å; R321-L325 HydrophobicContact CG-CD1 4.36Å; R321-L325 WeakPolarHBondContact O-CG 3.47Å; R321-L325 PolarHBondContact O-N 3.45Å; R321-L325 VanDerWaalsContact O-N 3.08Å; M322-L325 PolarHBondContact O-N 3.5Å; Y323-L325 VanDerWaalsContact C-N 3.27Å; Y323-L325 PolarHBondContact O-N 2.76Å; L325-S327 VanDerWaalsContact C-N 3.27Å; L325-S327 PolarHBondContact O-N 2.94Å; L325-R328 WeakPolarHBondContact O-CB 3.4Å; L325-R328 PolarHBondContact O-N 3.48Å; L325-R328 VanDerWaalsContact O-N 3.17Å
326	V	96.5	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-27.8	-174.8	179.3	0	0	0	0	112.1	I296 L300 F303 M322 Y323 R328 I329 G332 L333 L336	I296-V326 HydrophobicContact CG2-CG2 4.46Å; L300-V326 HydrophobicContact CD2-CG1 3.91Å; L300-V326 HydrophobicContact CD2-CG2 4.05Å; F303-V326 HydrophobicContact CD2-CG2 3.68Å; F303-V326 HydrophobicContact CE2-CG2 4.37Å; M322-V326 HydrophobicContact CG-CG2 4.18Å; M322-V326 WeakPolarHBondContact O-CB 3.32Å; M322-V326 WeakPolarHBondContact O-CG2 3.41Å; M322-V326 PolarHBondContact O-N 3.1Å; Y323-V326 PolarHBondContact O-N 3.4Å; V326-R328 PolarHBondContact O-N 3.01Å; V326-R328 VanDerWaalsContact O-N 3.11Å; V326-I329 PolarHBondContact O-N 3.34Å; V326-G332 VanDerWaalsContact CG1-O 3.28Å; V326-G332 WeakPolarHBondContact CG1-O 3.3Å; V326-L333 HydrophobicContact CB-CD2 4.03Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.45Å; V326-L336 HydrophobicContact CB-CD1 4.01Å; V326-L336 HydrophobicContact CG1-CD1 3.99Å; V326-L336 HydrophobicContact CG2-CD1 4.12Å
327	S	95.5	Very high	94.8	Very high	54 Å²	54	50 Å²	50	38%	0.378	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.9	176.1	66.1	0	0	0	0	113.9	Y323 N324 L325 I329	Y323-S327 VanDerWaalsContact O-CB 3.23Å; Y323-S327 WeakPolarHBondContact O-CB 3.43Å; Y323-S327 PolarHBondContact O-N 3.09Å; Y323-S327 PolarHBondContact O-OG 3.24Å; N324-S327 PolarHBondContact O-OG 3.21Å; N324-S327 VanDerWaalsContact O-OG 3.14Å; L325-S327 VanDerWaalsContact C-N 3.27Å; L325-S327 PolarHBondContact O-N 2.94Å; S327-I329 VanDerWaalsContact C-N 3.33Å
328	R	94.1	Very high	94.9	Very high	129 Å²	129	47.6 Å²	47.6	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.6	175.6	-61.9	169.8	176.8	-86	-2.1	112.4	E292 N324 L325 V326	E292-R328 HydrophobicContact CG-CB 4.26Å; E292-R328 IonicContact OE1-NH1 3.61Å; E292-R328 PolarHBondContact OE1-NH1 3.43Å; N324-R328 PolarHBondContact O-NE 2.83Å; L325-R328 WeakPolarHBondContact O-CB 3.4Å; L325-R328 PolarHBondContact O-N 3.48Å; L325-R328 VanDerWaalsContact O-N 3.17Å; V326-R328 PolarHBondContact O-N 3.01Å; V326-R328 VanDerWaalsContact O-N 3.11Å
329	I	93.7	Very high	94.9	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.092	25%	0.245	C	C	.	.	S	Bend	trans	-88.1	130.5	-180	-54.1	-54.8	0	0	0	109.4	E292 I296 E297 L300 V326 S327 D331 G332	E292-I329 HydrophobicContact CB-CD1 3.87Å; I296-I329 HydrophobicContact CB-CD1 4.11Å; I296-I329 HydrophobicContact CB-CG1 4.06Å; I296-I329 HydrophobicContact CG2-CD1 4.3Å; I296-I329 HydrophobicContact CG2-CG1 3.68Å; E297-I329 HydrophobicContact CB-CD1 4.12Å; E297-I329 HydrophobicContact CB-CG1 4.5Å; E297-I329 HydrophobicContact CB-CG2 4.47Å; E297-I329 HydrophobicContact CG-CG2 4.18Å; L300-I329 HydrophobicContact CD1-CG2 4.31Å; V326-I329 PolarHBondContact O-N 3.34Å; S327-I329 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.28Å; I329-G332 PolarHBondContact O-N 2.86Å; I329-G332 VanDerWaalsContact O-N 3.12Å
330	Q	88	Confident	94.9	Very high	172 Å²	172	48.1 Å²	48.1	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.4	174.3	-174.1	174.6	-9.6	0	0	109.8	G332	Q330-G332 PolarHBondContact O-N 2.94Å
331	D	86.1	Confident	95	Very high	143 Å²	143	48.6 Å²	48.6	77%	0.765	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	11.3	-178.2	-58.9	-47.4	0	0	0	116	I329 L333 G334	I329-D331 PolarHBondContact O-N 3.28Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.17Å; D331-G334 PolarHBondContact O-N 3.36Å
332	G	89.7	Confident	95	Very high	7 Å²	7	49.1 Å²	49.1	7%	0.072	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.8	-178.2	0	0	0	0	0	114.5	V326 I329 Q330 G334	V326-G332 VanDerWaalsContact CG1-O 3.28Å; V326-G332 WeakPolarHBondContact CG1-O 3.3Å; I329-G332 PolarHBondContact O-N 2.86Å; I329-G332 VanDerWaalsContact O-N 3.12Å; Q330-G332 PolarHBondContact O-N 2.94Å; G332-G334 VanDerWaalsContact C-N 3.25Å; G332-G334 PolarHBondContact O-N 3.28Å
333	L	94.4	Very high	95	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-75.7	-9.2	-176.8	-63.4	176	0	0	0	114	Y323 V326 D331 E335 L336 K337 F391	Y323-L333 HydrophobicContact CD2-CD1 4.47Å; Y323-L333 HydrophobicContact CD2-CD2 3.92Å; Y323-L333 HydrophobicContact CE2-CD1 3.93Å; Y323-L333 HydrophobicContact CE2-CD2 4.23Å; V326-L333 HydrophobicContact CB-CD2 4.03Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.45Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.17Å; L333-E335 PolarHBondContact O-N 3.02Å; L333-L336 HydrophobicContact CD2-CD1 4.12Å; L333-L336 PolarHBondContact O-N 3.04Å; L333-K337 WeakPolarHBondContact O-CG 3.41Å; L333-K337 PolarHBondContact O-N 3.12Å; L333-K337 VanDerWaalsContact O-N 3.1Å; L333-F391 HydrophobicContact CB-CE2 4.46Å; L333-F391 HydrophobicContact CD1-CE2 4.47Å; L333-F391 HydrophobicContact CD2-CE2 4.22Å; L333-F391 HydrophobicContact CD2-CZ 4.5Å
334	G	94.5	Very high	95.1	Very high	44 Å²	44	48.2 Å²	48.2	45%	0.454	25%	0.25	S	C	.	.	H	α-helix	trans	-58	-47.9	-173.9	0	0	0	0	0	113.2	D331 G332 K338	D331-G334 PolarHBondContact O-N 3.36Å; G332-G334 VanDerWaalsContact C-N 3.25Å; G332-G334 PolarHBondContact O-N 3.28Å; G334-K338 PolarHBondContact O-N 3.04Å
335	E	94.6	Very high	95.1	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-73.8	-35.5	-178.3	-161.2	62	-162	0	0	111.7	L333 K337 K338 L339	L333-E335 PolarHBondContact O-N 3.02Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.47Å; E335-K338 WeakPolarHBondContact O-CB 3.42Å; E335-K338 PolarHBondContact O-N 3.28Å; E335-K338 VanDerWaalsContact O-N 3.15Å; E335-K338 IonicContact OE1-NZ 3.86Å; E335-K338 PolarHBondContact OE1-NZ 3.23Å; E335-K338 IonicContact OE2-NZ 3.27Å; E335-K338 PolarHBondContact OE2-NZ 3.15Å; E335-L339 WeakPolarHBondContact O-CG 3.42Å; E335-L339 PolarHBondContact O-N 3.18Å
336	L	96.7	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-41.5	175.1	-61.1	-169.4	0	0	0	112.1	F307 M322 V326 L333 K338 L339 L340 F391	F307-L336 HydrophobicContact CB-CD2 3.85Å; F307-L336 HydrophobicContact CD1-CD2 3.93Å; F307-L336 HydrophobicContact CD2-CD1 4.43Å; F307-L336 HydrophobicContact CD2-CD2 3.86Å; F307-L336 HydrophobicContact CE1-CB 4.24Å; F307-L336 HydrophobicContact CE1-CD2 4.39Å; F307-L336 WeakPolarHBondContact CE1-O 3.42Å; F307-L336 HydrophobicContact CE2-CD1 4.36Å; F307-L336 HydrophobicContact CE2-CD2 4.33Å; F307-L336 HydrophobicContact CG-CD2 3.62Å; F307-L336 HydrophobicContact CZ-CB 4.21Å; M322-L336 HydrophobicContact SD-CD2 4.35Å; V326-L336 HydrophobicContact CB-CD1 4.01Å; V326-L336 HydrophobicContact CG1-CD1 3.99Å; V326-L336 HydrophobicContact CG2-CD1 4.12Å; L333-L336 HydrophobicContact CD2-CD1 4.12Å; L333-L336 PolarHBondContact O-N 3.04Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 3.31Å; L336-L339 PolarHBondContact O-N 3.3Å; L336-L340 PolarHBondContact O-N 2.63Å; L336-F391 HydrophobicContact CB-CE1 4.17Å; L336-F391 HydrophobicContact CB-CZ 3.79Å
337	K	97.2	Very high	95.2	Very high	55 Å²	55	54 Å²	54	24%	0.239	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175.8	-71.4	166.9	-177.8	179.8	0	111.4	L333 E335 L340 E341 D388 F391 A394	L333-K337 WeakPolarHBondContact O-CG 3.41Å; L333-K337 PolarHBondContact O-N 3.12Å; L333-K337 VanDerWaalsContact O-N 3.1Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.47Å; K337-L340 PolarHBondContact O-N 3.13Å; K337-E341 PolarHBondContact O-N 3.16Å; K337-D388 WeakPolarHBondContact CE-OD1 3.2Å; K337-D388 IonicContact NZ-OD1 2.84Å; K337-D388 PolarHBondContact NZ-OD1 3.44Å; K337-D388 VanDerWaalsContact NZ-OD1 3.16Å; K337-F391 HydrophobicContact CG-CD1 4.03Å; K337-F391 HydrophobicContact CG-CD2 3.91Å; K337-F391 HydrophobicContact CG-CE1 4Å; K337-F391 HydrophobicContact CG-CE2 3.85Å; K337-F391 HydrophobicContact CG-CG 4.03Å; K337-F391 HydrophobicContact CG-CZ 3.92Å; K337-A394 HydrophobicContact CB-CB 4.5Å; K337-A394 WeakPolarHBondContact O-CB 3.41Å
338	K	96.8	Very high	95.2	Very high	113 Å²	113	51.4 Å²	51.4	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-69.3	-39.4	178.6	178.7	-179.8	157.8	-141.3	0	112.5	G334 E335 L336 E341 T342	G334-K338 PolarHBondContact O-N 3.04Å; E335-K338 WeakPolarHBondContact O-CB 3.42Å; E335-K338 PolarHBondContact O-N 3.28Å; E335-K338 VanDerWaalsContact O-N 3.15Å; E335-K338 IonicContact OE1-NZ 3.86Å; E335-K338 PolarHBondContact OE1-NZ 3.23Å; E335-K338 IonicContact OE2-NZ 3.27Å; E335-K338 PolarHBondContact OE2-NZ 3.15Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 3.31Å; K338-E341 PolarHBondContact O-N 2.86Å; K338-T342 WeakPolarHBondContact O-CB 3.46Å; K338-T342 PolarHBondContact O-N 2.97Å; K338-T342 PolarHBondContact O-OG1 3.06Å
339	L	96.8	Very high	95.3	Very high	35 Å²	35	47 Å²	47	18%	0.183	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-45.8	173.3	-72.3	171.7	0	0	0	110.7	H304 F307 E335 L336 E341 T342 H343	H304-L339 HydrophobicContact CB-CD1 4.07Å; H304-L339 WeakPolarHBondContact O-CD1 3.49Å; F307-L339 HydrophobicContact CB-CD1 4.4Å; F307-L339 HydrophobicContact CD1-CB 3.84Å; F307-L339 HydrophobicContact CD1-CD1 4.03Å; F307-L339 HydrophobicContact CE1-CB 4.1Å; E335-L339 WeakPolarHBondContact O-CG 3.42Å; E335-L339 PolarHBondContact O-N 3.18Å; L336-L339 PolarHBondContact O-N 3.3Å; L339-E341 PolarHBondContact O-N 2.69Å; L339-T342 PolarHBondContact O-N 3.36Å; L339-H343 WeakPolarHBondContact O-CB 2.96Å; L339-H343 PolarHBondContact O-N 3.47Å
340	L	97.6	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-47.7	175.3	-174.6	72	0	0	0	111.5	F307 L311 L336 K337 T342 H343 I344 L380 V381 F385 F391	F307-L340 HydrophobicContact CE1-CB 4.3Å; L311-L340 HydrophobicContact CD1-CD1 4.3Å; L311-L340 HydrophobicContact CD2-CD1 3.67Å; L336-L340 PolarHBondContact O-N 2.63Å; K337-L340 PolarHBondContact O-N 3.13Å; L340-T342 PolarHBondContact O-N 2.88Å; L340-H343 PolarHBondContact O-N 3.32Å; L340-I344 HydrophobicContact CD1-CD1 3.87Å; L340-I344 HydrophobicContact CD1-CG1 4.06Å; L340-I344 HydrophobicContact CD2-CD1 3.97Å; L340-I344 HydrophobicContact CG-CD1 3.59Å; L340-I344 HydrophobicContact CG-CG1 4.13Å; L340-I344 WeakPolarHBondContact O-CB 3.45Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.26Å; L340-I344 PolarHBondContact O-N 3.32Å; L340-L380 HydrophobicContact CD1-CD2 4.12Å; L340-V381 HydrophobicContact CD2-CG2 3.99Å; L340-F385 HydrophobicContact CD1-CE2 4.22Å; L340-F385 HydrophobicContact CD2-CD2 4.2Å; L340-F385 HydrophobicContact CD2-CE2 3.82Å; L340-F391 HydrophobicContact CB-CD1 4.37Å; L340-F391 HydrophobicContact CB-CE1 4.44Å; L340-F391 HydrophobicContact CD2-CD1 3.59Å; L340-F391 HydrophobicContact CD2-CE1 4.34Å
341	E	98	Very high	95.7	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-53.3	-46.6	176.8	-175.3	-168.7	144.1	0	0	110.7	K337 K338 L339 H345 A394 K397 A398 R401	K337-E341 PolarHBondContact O-N 3.16Å; K338-E341 PolarHBondContact O-N 2.86Å; L339-E341 PolarHBondContact O-N 2.69Å; E341-H345 VanDerWaalsContact O-CB 3.31Å; E341-H345 WeakPolarHBondContact O-CB 3.15Å; E341-H345 PolarHBondContact O-N 2.86Å; E341-A394 HydrophobicContact CB-CB 4.12Å; E341-K397 WeakPolarHBondContact OE1-CE 3.07Å; E341-K397 IonicContact OE1-NZ 3.91Å; E341-K397 PolarHBondContact OE1-NZ 2.85Å; E341-K397 VanDerWaalsContact OE1-NZ 3.15Å; E341-K397 WeakPolarHBondContact OE2-CD 3.31Å; E341-K397 WeakPolarHBondContact OE2-CE 3.28Å; E341-K397 IonicContact OE2-NZ 3.51Å; E341-K397 PolarHBondContact OE2-NZ 3.39Å; E341-A398 HydrophobicContact CG-CB 4.08Å; E341-A398 WeakPolarHBondContact O-CB 3.26Å; E341-R401 IonicContact OE1-NH1 3.51Å; E341-R401 PolarHBondContact OE1-NH1 3.5Å; E341-R401 VanDerWaalsContact OE1-NH1 3.11Å
342	T	97.6	Very high	96.1	Very high	58 Å²	58	34.8 Å²	34.8	36%	0.356	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-44.5	-177.4	-55.3	0	0	0	0	111.7	K338 L339 L340 H345 N346	K338-T342 WeakPolarHBondContact O-CB 3.46Å; K338-T342 PolarHBondContact O-N 2.97Å; K338-T342 PolarHBondContact O-OG1 3.06Å; L339-T342 PolarHBondContact O-N 3.36Å; L340-T342 PolarHBondContact O-N 2.88Å; T342-H345 PolarHBondContact O-N 2.97Å; T342-N346 VanDerWaalsContact O-CG 3.24Å; T342-N346 PolarHBondContact O-N 3.26Å; T342-N346 PolarHBondContact O-ND2 2.98Å
343	H	97.7	Very high	96.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-47.3	177.9	175.2	90.8	0	0	0	111.4	Q308 L311 D312 L339 L340 H345 N346 Q347 Y377	Q308-H343 PolarHBondContact NE2-ND1 2.95Å; Q308-H343 VanDerWaalsContact NE2-ND1 3.18Å; L311-H343 HydrophobicContact CD1-CB 3.88Å; D312-H343 IonicContact OD1-CE1 3.75Å; D312-H343 PolarHBondContact OD1-CE1 3.28Å; D312-H343 IonicContact OD1-ND1 3.69Å; D312-H343 PolarHBondContact OD1-ND1 2.76Å; L339-H343 WeakPolarHBondContact O-CB 2.96Å; L339-H343 PolarHBondContact O-N 3.47Å; L340-H343 PolarHBondContact O-N 3.32Å; H343-H345 VanDerWaalsContact C-N 3.31Å; H343-H345 PolarHBondContact O-N 3.44Å; H343-N346 PolarHBondContact O-N 3.38Å; H343-Q347 WeakPolarHBondContact O-CB 3.45Å; H343-Q347 VanDerWaalsContact O-CG 3.23Å; H343-Q347 WeakPolarHBondContact O-CG 3.15Å; H343-Q347 PolarHBondContact O-N 3.45Å; H343-Y377 AromaticContact CD2-CE1 3.65Å; H343-Y377 AromaticContact CD2-CZ 3.74Å; H343-Y377 PolarHBondContact CD2-OH 3.4Å; H343-Y377 AromaticContact NE2-CE1 3.66Å; H343-Y377 AromaticContact NE2-CZ 3.6Å; H343-Y377 PolarHBondContact NE2-OH 3.07Å
344	I	97.8	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-42.6	177.1	-63.9	173.2	0	0	0	110.8	L340 N346 Q347 G348 Y377 L395 A398 F402	L340-I344 HydrophobicContact CD1-CD1 3.87Å; L340-I344 HydrophobicContact CD1-CG1 4.06Å; L340-I344 HydrophobicContact CD2-CD1 3.97Å; L340-I344 HydrophobicContact CG-CD1 3.59Å; L340-I344 HydrophobicContact CG-CG1 4.13Å; L340-I344 WeakPolarHBondContact O-CB 3.45Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.26Å; L340-I344 PolarHBondContact O-N 3.32Å; I344-N346 PolarHBondContact O-N 3.33Å; I344-Q347 PolarHBondContact O-N 2.8Å; I344-G348 PolarHBondContact O-N 3.48Å; I344-Y377 HydrophobicContact CB-CD2 4.37Å; I344-Y377 HydrophobicContact CD1-CD1 4.12Å; I344-Y377 HydrophobicContact CD1-CG 3.89Å; I344-Y377 HydrophobicContact CG1-CD1 3.68Å; I344-Y377 HydrophobicContact CG1-CD2 3.87Å; I344-Y377 HydrophobicContact CG1-CE1 4.09Å; I344-Y377 HydrophobicContact CG1-CE2 4.26Å; I344-Y377 HydrophobicContact CG1-CG 3.58Å; I344-Y377 HydrophobicContact CG2-CD2 4.01Å; I344-Y377 HydrophobicContact CG2-CG 4.4Å; I344-L395 HydrophobicContact CD1-CB 4.23Å; I344-L395 HydrophobicContact CD1-CD1 3.83Å; I344-L395 HydrophobicContact CG2-CD1 4.29Å; I344-A398 HydrophobicContact CB-CB 3.68Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; I344-F402 HydrophobicContact CG2-CE1 4.48Å
345	H	97.5	Very high	96	Very high	29 Å²	29	48.1 Å²	48.1	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-48.7	177.2	179	59.5	0	0	0	111.4	E341 T342 H343 G348 L349 A398	E341-H345 VanDerWaalsContact O-CB 3.31Å; E341-H345 WeakPolarHBondContact O-CB 3.15Å; E341-H345 PolarHBondContact O-N 2.86Å; T342-H345 PolarHBondContact O-N 2.97Å; H343-H345 VanDerWaalsContact C-N 3.31Å; H343-H345 PolarHBondContact O-N 3.44Å; H345-G348 PolarHBondContact O-N 3.41Å; H345-L349 WeakPolarHBondContact O-CG 2.98Å; H345-L349 PolarHBondContact O-N 3.25Å; H345-A398 HydrophobicContact CB-CB 4.43Å
346	N	97	Very high	95.5	Very high	88 Å²	88	46.2 Å²	46.2	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-66.2	-40.6	-179.6	-68.1	-17.9	0	0	0	112.2	T342 H343 I344 L349 A350	T342-N346 VanDerWaalsContact O-CG 3.24Å; T342-N346 PolarHBondContact O-N 3.26Å; T342-N346 PolarHBondContact O-ND2 2.98Å; H343-N346 PolarHBondContact O-N 3.38Å; I344-N346 PolarHBondContact O-N 3.33Å; N346-L349 PolarHBondContact O-N 3.42Å; N346-A350 WeakPolarHBondContact O-CB 3.03Å; N346-A350 PolarHBondContact O-N 2.85Å
347	Q	96.7	Very high	95	Very high	73 Å²	73	52.9 Å²	52.9	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-67.5	-39.1	177.9	-71.4	-77.3	-7.1	0	0	111.7	H343 I344 A350 A351 Y377	H343-Q347 WeakPolarHBondContact O-CB 3.45Å; H343-Q347 VanDerWaalsContact O-CG 3.23Å; H343-Q347 WeakPolarHBondContact O-CG 3.15Å; H343-Q347 PolarHBondContact O-N 3.45Å; I344-Q347 PolarHBondContact O-N 2.8Å; Q347-A350 PolarHBondContact O-N 3Å; Q347-A351 VanDerWaalsContact O-CB 3.25Å; Q347-A351 WeakPolarHBondContact O-CB 3.49Å; Q347-A351 PolarHBondContact O-N 3.44Å; Q347-Y377 HydrophobicContact CB-CE2 4.07Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.48Å; Q347-Y377 VanDerWaalsContact CG-OH 3.25Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.46Å
348	G	96	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-42.2	171.6	0	0	0	0	0	112.8	I344 H345 I352	I344-G348 PolarHBondContact O-N 3.48Å; H345-G348 PolarHBondContact O-N 3.41Å; G348-I352 WeakPolarHBondContact O-CG1 3.46Å; G348-I352 PolarHBondContact O-N 3.3Å
349	L	96	Very high	94	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.194	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-50.2	174.5	-71.8	178	0	0	0	111.9	H345 N346 A351 I352 E353 F402 N405 N406	H345-L349 WeakPolarHBondContact O-CG 2.98Å; H345-L349 PolarHBondContact O-N 3.25Å; N346-L349 PolarHBondContact O-N 3.42Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.08Å; L349-I352 PolarHBondContact O-N 2.85Å; L349-E353 WeakPolarHBondContact O-CB 3.26Å; L349-E353 PolarHBondContact O-N 3.48Å; L349-F402 HydrophobicContact CD2-CB 4.23Å; L349-F402 HydrophobicContact CG-CB 4.28Å; L349-N405 VanDerWaalsContact CD2-O 3.24Å; L349-N405 WeakPolarHBondContact CD2-O 3.31Å; L349-N406 HydrophobicContact CD2-CB 3.92Å
350	A	95.9	Very high	93.5	Very high	47 Å²	47	47.6 Å²	47.6	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-39.4	-178.9	0	0	0	0	0	112.1	N346 Q347 E353 K354	N346-A350 WeakPolarHBondContact O-CB 3.03Å; N346-A350 PolarHBondContact O-N 2.85Å; Q347-A350 PolarHBondContact O-N 3Å; A350-E353 PolarHBondContact O-N 3.4Å; A350-K354 WeakPolarHBondContact O-CB 3.25Å; A350-K354 PolarHBondContact O-N 3.23Å
351	A	95.4	Very high	92.9	Very high	26 Å²	26	53.9 Å²	53.9	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-44	177	0	0	0	0	0	111.9	Q347 L349 C355 T369 V373	Q347-A351 VanDerWaalsContact O-CB 3.25Å; Q347-A351 WeakPolarHBondContact O-CB 3.49Å; Q347-A351 PolarHBondContact O-N 3.44Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.08Å; A351-C355 PolarHBondContact O-SG 3.33Å; A351-T369 HydrophobicContact CB-CG2 3.77Å; A351-V373 HydrophobicContact CB-CG2 3.69Å
352	I	94.4	Very high	92.7	Very high	2 Å²	2	56 Å²	56	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-69.8	-40.6	177.2	-65.6	171.5	0	0	0	111	G348 L349 K354 C355 Y366 T369 V370 F402 N406 A407 V408	G348-I352 WeakPolarHBondContact O-CG1 3.46Å; G348-I352 PolarHBondContact O-N 3.3Å; L349-I352 PolarHBondContact O-N 2.85Å; I352-K354 VanDerWaalsContact C-N 3.31Å; I352-K354 PolarHBondContact O-N 3.39Å; I352-C355 WeakPolarHBondContact O-CB 3.48Å; I352-C355 PolarHBondContact O-N 3.45Å; I352-C355 VanDerWaalsContact O-N 3.16Å; I352-Y366 HydrophobicContact CD1-CE2 4.11Å; I352-Y366 HydrophobicContact CG1-CE2 4.47Å; I352-Y366 HydrophobicContact CG2-CE2 4.17Å; I352-T369 HydrophobicContact CG1-CG2 4.43Å; I352-V370 HydrophobicContact CD1-CG2 4.14Å; I352-F402 HydrophobicContact CD1-CD2 3.87Å; I352-F402 HydrophobicContact CD1-CE2 4.18Å; I352-N406 HydrophobicContact CB-CB 4.5Å; I352-N406 HydrophobicContact CD1-CB 3.8Å; I352-N406 HydrophobicContact CG2-CB 4.16Å; I352-A407 HydrophobicContact CG2-CB 4.5Å; I352-V408 HydrophobicContact CG2-CB 4.42Å; I352-V408 HydrophobicContact CG2-CG2 3.7Å
353	E	93	Very high	92.5	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-38.9	177.9	-175.2	168.2	-161.9	0	0	111.9	L349 A350 C355 G356 A407	L349-E353 WeakPolarHBondContact O-CB 3.26Å; L349-E353 PolarHBondContact O-N 3.48Å; A350-E353 PolarHBondContact O-N 3.4Å; E353-C355 PolarHBondContact O-N 3.46Å; E353-G356 PolarHBondContact O-N 3.23Å; E353-A407 HydrophobicContact CB-CB 4.26Å
354	K	93.1	Very high	92.3	Very high	191 Å²	191	60.1 Å²	60.1	83%	0.83	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-27.7	175.5	-171.7	176.7	180	179.8	0	113.3	A350 I352 G356	A350-K354 WeakPolarHBondContact O-CB 3.25Å; A350-K354 PolarHBondContact O-N 3.23Å; I352-K354 VanDerWaalsContact C-N 3.31Å; I352-K354 PolarHBondContact O-N 3.39Å; K354-G356 VanDerWaalsContact C-N 3.26Å; K354-G356 PolarHBondContact O-N 2.82Å
355	C	90.2	Very high	92.1	Very high	30 Å²	30	63.5 Å²	63.5	20%	0.203	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18	174.3	-60.6	0	0	0	0	113.1	A351 I352 E353 A358 A359 M365 T369	A351-C355 PolarHBondContact O-SG 3.33Å; I352-C355 WeakPolarHBondContact O-CB 3.48Å; I352-C355 PolarHBondContact O-N 3.45Å; I352-C355 VanDerWaalsContact O-N 3.16Å; E353-C355 PolarHBondContact O-N 3.46Å; C355-A358 PolarHBondContact O-N 3.47Å; C355-A359 HydrophobicContact CB-CB 3.68Å; C355-M365 HydrophobicContact CB-SD 4Å; C355-T369 PolarHBondContact SG-OG1 3.07Å
356	G	84.8	Confident	92	Very high	30 Å²	30	62.3 Å²	62.3	31%	0.309	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-147.6	178.5	0	0	0	0	0	114.1	E353 K354 A358 A359	E353-G356 PolarHBondContact O-N 3.23Å; K354-G356 VanDerWaalsContact C-N 3.26Å; K354-G356 PolarHBondContact O-N 2.82Å; G356-A358 PolarHBondContact O-N 3.38Å; G356-A359 PolarHBondContact O-N 3.15Å
357	E	84.9	Confident	91.9	Very high	140 Å²	140	58.1 Å²	58.1	65%	0.654	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-179.8	-68.7	-173.4	174.8	0	0	113.8	A359 L360 M411	E357-A359 VanDerWaalsContact C-N 3.26Å; E357-A359 PolarHBondContact O-N 3.38Å; E357-L360 VanDerWaalsContact O-CB 3.24Å; E357-L360 WeakPolarHBondContact O-CB 3.31Å; E357-L360 PolarHBondContact O-N 2.92Å; E357-M411 HydrophobicContact CG-CE 3.56Å; E357-M411 HydrophobicContact CG-SD 4.48Å
358	A	88.6	Confident	91.8	Very high	51 Å²	51	57.5 Å²	57.5	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-40	178.8	0	0	0	0	0	111.1	C355 G356 L360 N361 D362 M365	C355-A358 PolarHBondContact O-N 3.47Å; G356-A358 PolarHBondContact O-N 3.38Å; A358-L360 PolarHBondContact O-N 3.45Å; A358-N361 PolarHBondContact O-N 3.38Å; A358-N361 VanDerWaalsContact O-N 3.13Å; A358-D362 WeakPolarHBondContact O-CB 3.33Å; A358-D362 PolarHBondContact O-N 2.87Å; A358-M365 HydrophobicContact CB-CE 4.22Å; A358-M365 HydrophobicContact CB-SD 3.88Å
359	A	85.5	Confident	91.8	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-19.8	178	0	0	0	0	0	113.9	C355 G356 E357 N361 Y366 V408 L421	C355-A359 HydrophobicContact CB-CB 3.68Å; G356-A359 PolarHBondContact O-N 3.15Å; E357-A359 VanDerWaalsContact C-N 3.26Å; E357-A359 PolarHBondContact O-N 3.38Å; A359-N361 VanDerWaalsContact C-N 3.28Å; A359-N361 PolarHBondContact O-N 3.25Å; A359-Y366 HydrophobicContact CB-CD2 4.31Å; A359-V408 HydrophobicContact CB-CG2 3.79Å; A359-L421 WeakPolarHBondContact O-CD1 3.49Å
360	L	85.8	Confident	91.8	Very high	41 Å²	41	57 Å²	57	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-30.8	175.7	-172.7	68.8	0	0	0	112	E357 A358 V408 A412 K417	E357-L360 VanDerWaalsContact O-CB 3.24Å; E357-L360 WeakPolarHBondContact O-CB 3.31Å; E357-L360 PolarHBondContact O-N 2.92Å; A358-L360 PolarHBondContact O-N 3.45Å; L360-V408 HydrophobicContact CD1-CG1 3.92Å; L360-A412 HydrophobicContact CD1-CB 4.07Å; L360-K417 HydrophobicContact CD1-CD 4.38Å; L360-K417 HydrophobicContact CD1-CG 4.23Å; L360-K417 WeakPolarHBondContact O-CE 3.49Å
361	N	86	Confident	91.8	Very high	131 Å²	131	54.9 Å²	54.9	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-116.7	-11.7	-172.1	-64.6	-42.9	0	0	0	113.6	A358 A359 P363	A358-N361 PolarHBondContact O-N 3.38Å; A358-N361 VanDerWaalsContact O-N 3.13Å; A359-N361 VanDerWaalsContact C-N 3.28Å; A359-N361 PolarHBondContact O-N 3.25Å; N361-P363 VanDerWaalsContact O-CD 3.32Å; N361-P363 WeakPolarHBondContact O-CD 3.46Å
362	D	92.1	Very high	91.9	Very high	63 Å²	63	57.5 Å²	57.5	34%	0.337	30%	0.298	S	S	.	.			trans	-110.9	95.1	174.5	-171.1	-16.4	0	0	0	111.2	A358 K364 M365 Y366	A358-D362 WeakPolarHBondContact O-CB 3.33Å; A358-D362 PolarHBondContact O-N 2.87Å; D362-K364 PolarHBondContact O-N 3.45Å; D362-K364 WeakPolarHBondContact OD1-CB 3.27Å; D362-K364 PolarHBondContact OD1-N 3.16Å; D362-M365 HydrophobicContact CB-CB 3.92Å; D362-M365 PolarHBondContact O-N 3.21Å; D362-M365 PolarHBondContact OD1-N 3.02Å; D362-M365 VanDerWaalsContact OD1-N 3.11Å; D362-Y366 PolarHBondContact O-N 3.13Å; D362-Y366 VanDerWaalsContact O-N 3.11Å
363	P	93.1	Very high	92	Very high	22 Å²	22	58.1 Å²	58.1	14%	0.143	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-34.6	176.2	-25.6	34.2	0	0	0	114.1	N361 V367 L421 R424	N361-P363 VanDerWaalsContact O-CD 3.32Å; N361-P363 WeakPolarHBondContact O-CD 3.46Å; P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.35Å; P363-V367 PolarHBondContact O-N 2.85Å; P363-L421 HydrophobicContact CB-CD2 4.45Å; P363-L421 WeakPolarHBondContact CB-O 3.34Å; P363-L421 HydrophobicContact CG-CD2 4.09Å; P363-R424 HydrophobicContact CB-CB 4.03Å; P363-R424 HydrophobicContact CG-CB 3.6Å
364	K	93.5	Very high	92.2	Very high	127 Å²	127	52.8 Å²	52.8	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-69.5	-47.9	-177.5	177.2	173.6	-178.1	179.3	0	110	D362 Y366 V367 Q368 Y425	D362-K364 PolarHBondContact O-N 3.45Å; D362-K364 WeakPolarHBondContact OD1-CB 3.27Å; D362-K364 PolarHBondContact OD1-N 3.16Å; K364-Y366 VanDerWaalsContact C-N 3.34Å; K364-Y366 PolarHBondContact O-N 3.16Å; K364-V367 PolarHBondContact O-N 2.9Å; K364-Q368 VanDerWaalsContact O-CB 3.25Å; K364-Q368 WeakPolarHBondContact O-CB 3.48Å; K364-Q368 PolarHBondContact O-N 3.48Å; K364-Y425 HydrophobicContact CB-CD2 3.82Å; K364-Y425 HydrophobicContact CB-CE2 3.63Å; K364-Y425 HydrophobicContact CD-CE2 4.29Å; K364-Y425 HydrophobicContact CG-CD2 4.34Å; K364-Y425 HydrophobicContact CG-CE2 3.63Å
365	M	94.4	Very high	92.4	Very high	72 Å²	72	47.9 Å²	47.9	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-57.3	-49.1	176.1	-177.3	-176.9	-68.4	0	0	110.8	C355 A358 D362 V367 Q368 T369	C355-M365 HydrophobicContact CB-SD 4Å; A358-M365 HydrophobicContact CB-CE 4.22Å; A358-M365 HydrophobicContact CB-SD 3.88Å; D362-M365 HydrophobicContact CB-CB 3.92Å; D362-M365 PolarHBondContact O-N 3.21Å; D362-M365 PolarHBondContact OD1-N 3.02Å; D362-M365 VanDerWaalsContact OD1-N 3.11Å; M365-V367 PolarHBondContact O-N 3.12Å; M365-Q368 PolarHBondContact O-N 3.32Å; M365-T369 PolarHBondContact O-N 2.96Å; M365-T369 PolarHBondContact O-OG1 2.56Å
366	Y	95.2	Very high	92.7	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-52.4	-179.7	178.4	-97.3	0	0	0	112.6	I352 A359 D362 K364 Q368 T369 V370 N406 V408 S418 L421	I352-Y366 HydrophobicContact CD1-CE2 4.11Å; I352-Y366 HydrophobicContact CG1-CE2 4.47Å; I352-Y366 HydrophobicContact CG2-CE2 4.17Å; A359-Y366 HydrophobicContact CB-CD2 4.31Å; D362-Y366 PolarHBondContact O-N 3.13Å; D362-Y366 VanDerWaalsContact O-N 3.11Å; K364-Y366 VanDerWaalsContact C-N 3.34Å; K364-Y366 PolarHBondContact O-N 3.16Å; Y366-Q368 PolarHBondContact O-N 3.06Å; Y366-T369 PolarHBondContact O-N 3.31Å; Y366-V370 HydrophobicContact CE1-CG2 4.16Å; Y366-V370 HydrophobicContact CE2-CG2 4.49Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.32Å; Y366-N406 PolarHBondContact OH-ND2 3.36Å; Y366-V408 HydrophobicContact CD2-CB 4.48Å; Y366-V408 HydrophobicContact CD2-CG2 4.07Å; Y366-V408 HydrophobicContact CE2-CB 4.18Å; Y366-V408 HydrophobicContact CE2-CG1 4.48Å; Y366-V408 HydrophobicContact CE2-CG2 4.15Å; Y366-S418 WeakPolarHBondContact OH-CB 3.35Å; Y366-S418 PolarHBondContact OH-OG 2.93Å; Y366-L421 HydrophobicContact CD1-CB 4.01Å; Y366-L421 HydrophobicContact CD1-CD1 3.98Å; Y366-L421 HydrophobicContact CD2-CD1 4.11Å; Y366-L421 HydrophobicContact CE1-CD1 4.44Å; Y366-L421 HydrophobicContact CG-CD1 3.81Å
367	V	95.3	Very high	93.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-38.6	-176.8	176.3	0	0	0	0	111.2	P363 K364 M365 V370 L371 L422 Y425 V452	P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.35Å; P363-V367 PolarHBondContact O-N 2.85Å; K364-V367 PolarHBondContact O-N 2.9Å; M365-V367 PolarHBondContact O-N 3.12Å; V367-V370 PolarHBondContact O-N 2.97Å; V367-L371 HydrophobicContact CG1-CD1 3.9Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CB 3.25Å; V367-L371 WeakPolarHBondContact O-CG 3.39Å; V367-L371 PolarHBondContact O-N 3.27Å; V367-L422 HydrophobicContact CG1-CD1 4.03Å; V367-L422 HydrophobicContact CG2-CD1 3.73Å; V367-Y425 HydrophobicContact CB-CD1 3.74Å; V367-Y425 HydrophobicContact CB-CE1 4.11Å; V367-Y425 HydrophobicContact CB-CG 4.16Å; V367-Y425 HydrophobicContact CG1-CD1 3.61Å; V367-Y425 HydrophobicContact CG1-CE1 3.76Å; V367-Y425 HydrophobicContact CG2-CD1 3.87Å; V367-Y425 HydrophobicContact CG2-CG 4.03Å; V367-V452 HydrophobicContact CG1-CG2 4.41Å
368	Q	94.8	Very high	93.8	Very high	60 Å²	60	45.4 Å²	45.4	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-45.2	177.8	-169.3	62.3	49.4	0	0	111.7	K364 M365 Y366 V370 L371 D372	K364-Q368 VanDerWaalsContact O-CB 3.25Å; K364-Q368 WeakPolarHBondContact O-CB 3.48Å; K364-Q368 PolarHBondContact O-N 3.48Å; M365-Q368 PolarHBondContact O-N 3.32Å; Y366-Q368 PolarHBondContact O-N 3.06Å; Q368-V370 VanDerWaalsContact C-N 3.3Å; Q368-V370 PolarHBondContact O-N 3.45Å; Q368-L371 WeakPolarHBondContact O-CB 3.37Å; Q368-L371 PolarHBondContact O-N 3.32Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; Q368-D372 PolarHBondContact NE2-OD1 3.46Å; Q368-D372 PolarHBondContact O-N 2.99Å
369	T	96.1	Very high	94.2	Very high	24 Å²	24	45.7 Å²	45.7	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-42.7	176.6	-60.2	0	0	0	0	111.7	A351 I352 C355 M365 Y366 D372 V373	A351-T369 HydrophobicContact CB-CG2 3.77Å; I352-T369 HydrophobicContact CG1-CG2 4.43Å; C355-T369 PolarHBondContact SG-OG1 3.07Å; M365-T369 PolarHBondContact O-N 2.96Å; M365-T369 PolarHBondContact O-OG1 2.56Å; Y366-T369 PolarHBondContact O-N 3.31Å; T369-D372 PolarHBondContact O-N 2.9Å; T369-V373 WeakPolarHBondContact O-CG2 3.33Å; T369-V373 PolarHBondContact O-N 3.1Å
370	V	96.1	Very high	94.7	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43.9	176	173.2	0	0	0	0	111.3	I352 Y366 V367 Q368 H374 F402 I403 V452	I352-V370 HydrophobicContact CD1-CG2 4.14Å; Y366-V370 HydrophobicContact CE1-CG2 4.16Å; Y366-V370 HydrophobicContact CE2-CG2 4.49Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.32Å; V367-V370 PolarHBondContact O-N 2.97Å; Q368-V370 VanDerWaalsContact C-N 3.3Å; Q368-V370 PolarHBondContact O-N 3.45Å; V370-H374 PolarHBondContact O-N 3.44Å; V370-H374 VanDerWaalsContact O-N 3.07Å; V370-F402 HydrophobicContact CG1-CE2 4.21Å; V370-F402 HydrophobicContact CG1-CZ 4.41Å; V370-F402 HydrophobicContact CG2-CE2 4.33Å; V370-I403 HydrophobicContact CG1-CD1 3.61Å; V370-I403 HydrophobicContact CG1-CG1 3.74Å; V370-V452 HydrophobicContact CG1-CG1 4Å; V370-V452 HydrophobicContact CG1-CG2 4Å
371	L	96.1	Very high	95.3	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-39.5	179	-77.1	170.8	0	0	0	112.6	V367 Q368 H374 K375 Q448 V452	V367-L371 HydrophobicContact CG1-CD1 3.9Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CB 3.25Å; V367-L371 WeakPolarHBondContact O-CG 3.39Å; V367-L371 PolarHBondContact O-N 3.27Å; Q368-L371 WeakPolarHBondContact O-CB 3.37Å; Q368-L371 PolarHBondContact O-N 3.32Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; L371-H374 PolarHBondContact O-N 3.36Å; L371-K375 WeakPolarHBondContact O-CB 3.44Å; L371-K375 VanDerWaalsContact O-CG 3.27Å; L371-K375 WeakPolarHBondContact O-CG 3.44Å; L371-K375 PolarHBondContact O-N 3.2Å; L371-Q448 HydrophobicContact CD1-CB 3.86Å; L371-Q448 HydrophobicContact CD2-CB 3.92Å; L371-Q448 WeakPolarHBondContact CD2-O 3.4Å; L371-V452 HydrophobicContact CD2-CG2 3.57Å; L371-V452 HydrophobicContact CG-CG2 3.8Å
372	D	96.6	Very high	95.8	Very high	82 Å²	82	41.9 Å²	41.9	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-43.6	-179.2	-66.9	-18.1	0	0	0	110.9	Q368 T369 K375 K376	Q368-D372 PolarHBondContact NE2-OD1 3.46Å; Q368-D372 PolarHBondContact O-N 2.99Å; T369-D372 PolarHBondContact O-N 2.9Å; D372-K375 PolarHBondContact O-N 2.95Å; D372-K376 WeakPolarHBondContact O-CB 3.49Å; D372-K376 PolarHBondContact O-N 2.83Å
373	V	96.9	Very high	95.9	Very high	15 Å²	15	42.5 Å²	42.5	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-49.4	173.4	174.9	0	0	0	0	110.5	A351 T369 K375 K376 Y377 F402	A351-V373 HydrophobicContact CB-CG2 3.69Å; T369-V373 WeakPolarHBondContact O-CG2 3.33Å; T369-V373 PolarHBondContact O-N 3.1Å; V373-K375 PolarHBondContact O-N 3.45Å; V373-K376 PolarHBondContact O-N 2.82Å; V373-Y377 HydrophobicContact CG1-CD2 3.94Å; V373-Y377 HydrophobicContact CG1-CE2 4.04Å; V373-Y377 VanDerWaalsContact O-CD2 3.26Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.08Å; V373-F402 HydrophobicContact CB-CZ 4.4Å; V373-F402 HydrophobicContact CG1-CE1 4.15Å; V373-F402 HydrophobicContact CG1-CZ 3.99Å
374	H	97.1	Very high	96	Very high	21 Å²	21	41.8 Å²	41.8	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-46.7	178.7	173.3	-82.4	0	0	0	111.8	V370 L371 K376 Y377 N378 V451 Y455	V370-H374 PolarHBondContact O-N 3.44Å; V370-H374 VanDerWaalsContact O-N 3.07Å; L371-H374 PolarHBondContact O-N 3.36Å; H374-K376 PolarHBondContact O-N 2.76Å; H374-Y377 PolarHBondContact O-N 3.41Å; H374-N378 WeakPolarHBondContact O-CB 3.48Å; H374-N378 PolarHBondContact O-N 2.99Å; H374-V451 VanDerWaalsContact CE1-CG1 3.48Å; H374-V451 WeakPolarHBondContact CE1-CG1 3.34Å; H374-Y455 AromaticContact CD2-CE2 3.73Å; H374-Y455 PolarHBondContact NE2-OH 3.31Å
375	K	96.6	Very high	96.2	Very high	88 Å²	88	35.8 Å²	35.8	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-44.5	-179.5	-76.1	175.2	-175.1	175.7	0	111.8	L371 D372 V373 A379	L371-K375 WeakPolarHBondContact O-CB 3.44Å; L371-K375 VanDerWaalsContact O-CG 3.27Å; L371-K375 WeakPolarHBondContact O-CG 3.44Å; L371-K375 PolarHBondContact O-N 3.2Å; D372-K375 PolarHBondContact O-N 2.95Å; V373-K375 PolarHBondContact O-N 3.45Å; K375-A379 WeakPolarHBondContact O-CB 3.5Å; K375-A379 PolarHBondContact O-N 3.29Å
376	K	96.3	Very high	96.2	Very high	88 Å²	88	37.1 Å²	37.1	38%	0.383	20%	0.202	S	C	.	.	H	α-helix	trans	-55.4	-54.4	177.7	178.5	-180	176.1	179	0	111.1	D314 D372 V373 H374 A379 L380	D314-K376 WeakPolarHBondContact OD1-CE 3.38Å; D314-K376 IonicContact OD1-NZ 3.91Å; D314-K376 PolarHBondContact OD1-NZ 2.96Å; D314-K376 IonicContact OD2-NZ 3.85Å; D314-K376 PolarHBondContact OD2-NZ 2.97Å; D372-K376 WeakPolarHBondContact O-CB 3.49Å; D372-K376 PolarHBondContact O-N 2.83Å; V373-K376 PolarHBondContact O-N 2.82Å; H374-K376 PolarHBondContact O-N 2.76Å; K376-A379 PolarHBondContact O-N 2.78Å; K376-L380 PolarHBondContact O-N 2.93Å; K376-L380 VanDerWaalsContact O-N 3.13Å
377	Y	97.4	Very high	96.2	Very high	5 Å²	5	41 Å²	41	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-79.3	-27.3	-174.6	-67.4	-68.4	0	0	0	113.6	H343 I344 Q347 V373 H374 L380 V381	H343-Y377 AromaticContact CD2-CE1 3.65Å; H343-Y377 AromaticContact CD2-CZ 3.74Å; H343-Y377 PolarHBondContact CD2-OH 3.4Å; H343-Y377 AromaticContact NE2-CE1 3.66Å; H343-Y377 AromaticContact NE2-CZ 3.6Å; H343-Y377 PolarHBondContact NE2-OH 3.07Å; I344-Y377 HydrophobicContact CB-CD2 4.37Å; I344-Y377 HydrophobicContact CD1-CD1 4.12Å; I344-Y377 HydrophobicContact CD1-CG 3.89Å; I344-Y377 HydrophobicContact CG1-CD1 3.68Å; I344-Y377 HydrophobicContact CG1-CD2 3.87Å; I344-Y377 HydrophobicContact CG1-CE1 4.09Å; I344-Y377 HydrophobicContact CG1-CE2 4.26Å; I344-Y377 HydrophobicContact CG1-CG 3.58Å; I344-Y377 HydrophobicContact CG2-CD2 4.01Å; I344-Y377 HydrophobicContact CG2-CG 4.4Å; Q347-Y377 HydrophobicContact CB-CE2 4.07Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.48Å; Q347-Y377 VanDerWaalsContact CG-OH 3.25Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.46Å; V373-Y377 HydrophobicContact CG1-CD2 3.94Å; V373-Y377 HydrophobicContact CG1-CE2 4.04Å; V373-Y377 VanDerWaalsContact O-CD2 3.26Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.08Å; H374-Y377 PolarHBondContact O-N 3.41Å; Y377-L380 HydrophobicContact CD1-CD2 4.03Å; Y377-L380 HydrophobicContact CE1-CD2 4.49Å; Y377-L380 PolarHBondContact O-N 3.15Å; Y377-V381 VanDerWaalsContact O-CG2 3.31Å; Y377-V381 WeakPolarHBondContact O-CG2 3.45Å; Y377-V381 PolarHBondContact O-N 3.37Å
378	N	96.6	Very high	96.2	Very high	54 Å²	54	42.8 Å²	42.8	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-43.7	169.2	-172.5	35.5	0	0	0	111.1	H374 L380 V381 M382 L395	H374-N378 WeakPolarHBondContact O-CB 3.48Å; H374-N378 PolarHBondContact O-N 2.99Å; N378-L380 VanDerWaalsContact C-N 3.32Å; N378-L380 PolarHBondContact O-N 3.23Å; N378-V381 PolarHBondContact O-N 3.05Å; N378-M382 WeakPolarHBondContact O-CB 3.41Å; N378-M382 WeakPolarHBondContact O-CG 3.33Å; N378-M382 PolarHBondContact O-N 3.47Å; N378-L395 HydrophobicContact CB-CD2 3.95Å
379	A	96.5	Very high	96.2	Very high	57 Å²	57	43.8 Å²	43.8	47%	0.471	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-40	175.1	0	0	0	0	0	112	K375 K376 M382 S383	K375-A379 WeakPolarHBondContact O-CB 3.5Å; K375-A379 PolarHBondContact O-N 3.29Å; K376-A379 PolarHBondContact O-N 2.78Å; A379-M382 PolarHBondContact O-N 3.48Å; A379-S383 WeakPolarHBondContact O-CB 3.4Å; A379-S383 PolarHBondContact O-N 3.34Å; A379-S383 PolarHBondContact O-OG 3.35Å
380	L	96.5	Very high	96.2	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-49.1	173.8	177.7	65	0	0	0	111.6	L311 N316 L319 L340 K376 Y377 N378 M382 S383 A384 F385	L311-L380 HydrophobicContact CD2-CD2 3.93Å; N316-L380 HydrophobicContact CB-CD1 4.11Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.4Å; L319-L380 HydrophobicContact CD1-CD1 3.85Å; L319-L380 HydrophobicContact CD1-CD2 4.24Å; L340-L380 HydrophobicContact CD1-CD2 4.12Å; K376-L380 PolarHBondContact O-N 2.93Å; K376-L380 VanDerWaalsContact O-N 3.13Å; Y377-L380 HydrophobicContact CD1-CD2 4.03Å; Y377-L380 HydrophobicContact CE1-CD2 4.49Å; Y377-L380 PolarHBondContact O-N 3.15Å; N378-L380 VanDerWaalsContact C-N 3.32Å; N378-L380 PolarHBondContact O-N 3.23Å; L380-M382 VanDerWaalsContact C-N 3.32Å; L380-M382 PolarHBondContact O-N 2.95Å; L380-S383 PolarHBondContact O-N 3.18Å; L380-A384 HydrophobicContact CD1-CB 3.68Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 2.99Å; L380-F385 HydrophobicContact CD1-CE2 4.49Å; L380-F385 HydrophobicContact CD1-CZ 4.44Å; L380-F385 HydrophobicContact CD2-CE2 4.02Å; L380-F385 HydrophobicContact CD2-CZ 4.32Å; L380-F385 HydrophobicContact CG-CE2 3.85Å; L380-F385 HydrophobicContact CG-CZ 4.24Å
381	V	97.3	Very high	96.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-40.2	179.8	172.2	0	0	0	0	111.8	L340 Y377 N378 F385 N387 F391 V392 L395	L340-V381 HydrophobicContact CD2-CG2 3.99Å; Y377-V381 VanDerWaalsContact O-CG2 3.31Å; Y377-V381 WeakPolarHBondContact O-CG2 3.45Å; Y377-V381 PolarHBondContact O-N 3.37Å; N378-V381 PolarHBondContact O-N 3.05Å; V381-F385 HydrophobicContact CB-CD2 4.47Å; V381-F385 HydrophobicContact CG2-CD2 4.11Å; V381-F385 CarbonylContact O-C 3.41Å; V381-F385 PolarHBondContact O-N 3.42Å; V381-N387 PolarHBondContact O-N 3.01Å; V381-N387 VanDerWaalsContact O-N 3.12Å; V381-F391 HydrophobicContact CG1-CB 4.13Å; V381-F391 HydrophobicContact CG2-CB 4.42Å; V381-V392 HydrophobicContact CG1-CG2 3.66Å; V381-L395 HydrophobicContact CG2-CB 4.39Å; V381-L395 HydrophobicContact CG2-CD2 4.37Å
382	M	96.4	Very high	96.4	Very high	86 Å²	86	45.2 Å²	45.2	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-40.2	179.3	-68.3	-69.1	150.2	0	0	112.6	N378 A379 L380 N387	N378-M382 WeakPolarHBondContact O-CB 3.41Å; N378-M382 WeakPolarHBondContact O-CG 3.33Å; N378-M382 PolarHBondContact O-N 3.47Å; A379-M382 PolarHBondContact O-N 3.48Å; L380-M382 VanDerWaalsContact C-N 3.32Å; L380-M382 PolarHBondContact O-N 2.95Å; M382-N387 HydrophobicContact CE-CB 4.37Å; M382-N387 WeakPolarHBondContact CE-OD1 3.4Å; M382-N387 HydrophobicContact SD-CB 3.82Å; M382-N387 VanDerWaalsContact SD-CG 3.58Å
383	S	94.9	Very high	96.4	Very high	77 Å²	77	43.9 Å²	43.9	54%	0.538	26%	0.264	S	S	.	.	H	α-helix	trans	-91	-49.5	-173.4	57.8	0	0	0	0	113.8	A379 L380	A379-S383 WeakPolarHBondContact O-CB 3.4Å; A379-S383 PolarHBondContact O-N 3.34Å; A379-S383 PolarHBondContact O-OG 3.35Å; L380-S383 PolarHBondContact O-N 3.18Å
384	A	95.8	Very high	96.4	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-86.8	-29.6	-174.4	0	0	0	0	0	112.9	L319 G320 L380	L319-A384 HydrophobicContact CB-CB 4.45Å; G320-A384 VanDerWaalsContact CA-O 3.31Å; G320-A384 WeakPolarHBondContact CA-O 3.35Å; L380-A384 HydrophobicContact CD1-CB 3.68Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 2.99Å
385	F	96.7	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-112.3	18.5	-174.2	-49.6	-39.5	0	0	0	113.3	F307 L319 Y323 L340 L380 V381 N387 D388 F391	F307-F385 HydrophobicContact CE2-CE1 4.06Å; F307-F385 AromaticContact CE2-CZ 3.95Å; F307-F385 HydrophobicContact CE2-CZ 3.95Å; F307-F385 HydrophobicContact CZ-CE1 4.28Å; F307-F385 AromaticContact CZ-CZ 3.79Å; F307-F385 HydrophobicContact CZ-CZ 3.79Å; L319-F385 HydrophobicContact CB-CE1 4.08Å; L319-F385 HydrophobicContact CB-CZ 4.24Å; Y323-F385 HydrophobicContact CD2-CB 4.2Å; Y323-F385 HydrophobicContact CD2-CD1 4.01Å; Y323-F385 HydrophobicContact CD2-CG 4.47Å; Y323-F385 HydrophobicContact CE2-CB 4.35Å; Y323-F385 AromaticContact CG-CD1 3.93Å; Y323-F385 HydrophobicContact CG-CD1 3.93Å; L340-F385 HydrophobicContact CD1-CE2 4.22Å; L340-F385 HydrophobicContact CD2-CD2 4.2Å; L340-F385 HydrophobicContact CD2-CE2 3.82Å; L380-F385 HydrophobicContact CD1-CE2 4.49Å; L380-F385 HydrophobicContact CD1-CZ 4.44Å; L380-F385 HydrophobicContact CD2-CE2 4.02Å; L380-F385 HydrophobicContact CD2-CZ 4.32Å; L380-F385 HydrophobicContact CG-CE2 3.85Å; L380-F385 HydrophobicContact CG-CZ 4.24Å; V381-F385 HydrophobicContact CB-CD2 4.47Å; V381-F385 HydrophobicContact CG2-CD2 4.11Å; V381-F385 CarbonylContact O-C 3.41Å; V381-F385 PolarHBondContact O-N 3.42Å; F385-N387 PolarHBondContact O-N 3.11Å; F385-D388 VanDerWaalsContact O-CB 3.32Å; F385-D388 WeakPolarHBondContact O-CB 3.32Å; F385-D388 PolarHBondContact O-N 3.42Å; F385-F391 HydrophobicContact CB-CB 4.23Å; F385-F391 HydrophobicContact CB-CD2 4.11Å; F385-F391 HydrophobicContact CB-CG 4.05Å; F385-F391 HydrophobicContact CD2-CB 4.18Å; F385-F391 AromaticContact CD2-CD1 3.64Å; F385-F391 HydrophobicContact CD2-CD1 3.64Å; F385-F391 HydrophobicContact CD2-CE1 4.1Å; F385-F391 AromaticContact CD2-CG 3.91Å; F385-F391 HydrophobicContact CD2-CG 3.91Å; F385-F391 HydrophobicContact CE2-CD1 4Å; F385-F391 HydrophobicContact CE2-CE1 4.18Å; F385-F391 HydrophobicContact CG-CD1 4.08Å; F385-F391 HydrophobicContact CG-CD2 4.36Å; F385-F391 HydrophobicContact CG-CE1 4.31Å; F385-F391 HydrophobicContact CG-CG 4.07Å; F385-F391 HydrophobicContact CZ-CE1 4.42Å
386	N	94.1	Very high	96.4	Very high	101 Å²	101	40.6 Å²	40.6	54%	0.54	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	32.8	175.7	-64.7	-26.5	0	0	0	114.7	Y323 D388	Y323-N386 HydrophobicContact CE1-CB 4.19Å; N386-D388 PolarHBondContact O-N 2.88Å
387	N	95.2	Very high	96.5	Very high	84 Å²	84	42.1 Å²	42.1	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.2	-175.4	-169	32.9	0	0	0	113.4	V381 M382 F385 A389 V392	V381-N387 PolarHBondContact O-N 3.01Å; V381-N387 VanDerWaalsContact O-N 3.12Å; M382-N387 HydrophobicContact CE-CB 4.37Å; M382-N387 WeakPolarHBondContact CE-OD1 3.4Å; M382-N387 HydrophobicContact SD-CB 3.82Å; M382-N387 VanDerWaalsContact SD-CG 3.58Å; F385-N387 PolarHBondContact O-N 3.11Å; N387-A389 PolarHBondContact O-N 3.48Å; N387-V392 VanDerWaalsContact OD1-CG2 3.26Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.25Å
388	D	96.1	Very high	96.5	Very high	39 Å²	39	41.9 Å²	41.9	21%	0.209	26%	0.257	C	S	.	.			trans	-58.5	128.3	175.4	177.2	-93.3	0	0	0	111.2	Y323 K337 F385 N386 G390 F391 V392	Y323-D388 HydrophobicContact CE2-CB 4.16Å; K337-D388 WeakPolarHBondContact CE-OD1 3.2Å; K337-D388 IonicContact NZ-OD1 2.84Å; K337-D388 PolarHBondContact NZ-OD1 3.44Å; K337-D388 VanDerWaalsContact NZ-OD1 3.16Å; F385-D388 VanDerWaalsContact O-CB 3.32Å; F385-D388 WeakPolarHBondContact O-CB 3.32Å; F385-D388 PolarHBondContact O-N 3.42Å; N386-D388 PolarHBondContact O-N 2.88Å; D388-G390 PolarHBondContact O-N 3.42Å; D388-G390 VanDerWaalsContact O-N 3.13Å; D388-G390 VanDerWaalsContact OD1-CA 3.31Å; D388-G390 WeakPolarHBondContact OD1-CA 3.48Å; D388-G390 PolarHBondContact OD1-N 3.49Å; D388-F391 HydrophobicContact CB-CB 4.4Å; D388-F391 HydrophobicContact CB-CD2 3.86Å; D388-F391 PolarHBondContact O-N 2.88Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.48Å; D388-F391 PolarHBondContact OD1-N 2.91Å; D388-V392 WeakPolarHBondContact O-CG2 3.36Å; D388-V392 PolarHBondContact O-N 3.18Å
389	A	95.9	Very high	96.5	Very high	80 Å²	80	39.3 Å²	39.3	66%	0.661	24%	0.243	S	C	*	.	H	α-helix	trans	-58.4	-31.4	-175.6	0	0	0	0	0	113.3	N387 A393	N387-A389 PolarHBondContact O-N 3.48Å; A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 3.39Å
390	G	96	Very high	96.4	Very high	22 Å²	22	37.4 Å²	37.4	23%	0.227	23%	0.23	C	C	.	.	H	α-helix	trans	-72.9	-36.8	177.4	0	0	0	0	0	113	D388 A393 A394	D388-G390 PolarHBondContact O-N 3.42Å; D388-G390 VanDerWaalsContact O-N 3.13Å; D388-G390 VanDerWaalsContact OD1-CA 3.31Å; D388-G390 WeakPolarHBondContact OD1-CA 3.48Å; D388-G390 PolarHBondContact OD1-N 3.49Å; G390-A393 PolarHBondContact O-N 3.44Å; G390-A394 PolarHBondContact O-N 2.99Å
391	F	97.6	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-72.3	-35.8	173.5	-77.1	-82.8	0	0	0	112.2	F307 Y323 L333 L336 K337 L340 V381 F385 D388 A393 A394 L395	F307-F391 HydrophobicContact CZ-CE1 4.27Å; Y323-F391 HydrophobicContact CD2-CD2 4.31Å; Y323-F391 AromaticContact CD2-CE2 3.65Å; Y323-F391 HydrophobicContact CD2-CE2 3.65Å; Y323-F391 HydrophobicContact CD2-CZ 4.21Å; Y323-F391 HydrophobicContact CE2-CD2 4.11Å; Y323-F391 AromaticContact CE2-CE2 3.76Å; Y323-F391 HydrophobicContact CE2-CE2 3.76Å; L333-F391 HydrophobicContact CB-CE2 4.46Å; L333-F391 HydrophobicContact CD1-CE2 4.47Å; L333-F391 HydrophobicContact CD2-CE2 4.22Å; L333-F391 HydrophobicContact CD2-CZ 4.5Å; L336-F391 HydrophobicContact CB-CE1 4.17Å; L336-F391 HydrophobicContact CB-CZ 3.79Å; K337-F391 HydrophobicContact CG-CD1 4.03Å; K337-F391 HydrophobicContact CG-CD2 3.91Å; K337-F391 HydrophobicContact CG-CE1 4Å; K337-F391 HydrophobicContact CG-CE2 3.85Å; K337-F391 HydrophobicContact CG-CG 4.03Å; K337-F391 HydrophobicContact CG-CZ 3.92Å; L340-F391 HydrophobicContact CB-CD1 4.37Å; L340-F391 HydrophobicContact CB-CE1 4.44Å; L340-F391 HydrophobicContact CD2-CD1 3.59Å; L340-F391 HydrophobicContact CD2-CE1 4.34Å; V381-F391 HydrophobicContact CG1-CB 4.13Å; V381-F391 HydrophobicContact CG2-CB 4.42Å; F385-F391 HydrophobicContact CB-CB 4.23Å; F385-F391 HydrophobicContact CB-CD2 4.11Å; F385-F391 HydrophobicContact CB-CG 4.05Å; F385-F391 HydrophobicContact CD2-CB 4.18Å; F385-F391 AromaticContact CD2-CD1 3.64Å; F385-F391 HydrophobicContact CD2-CD1 3.64Å; F385-F391 HydrophobicContact CD2-CE1 4.1Å; F385-F391 AromaticContact CD2-CG 3.91Å; F385-F391 HydrophobicContact CD2-CG 3.91Å; F385-F391 HydrophobicContact CE2-CD1 4Å; F385-F391 HydrophobicContact CE2-CE1 4.18Å; F385-F391 HydrophobicContact CG-CD1 4.08Å; F385-F391 HydrophobicContact CG-CD2 4.36Å; F385-F391 HydrophobicContact CG-CE1 4.31Å; F385-F391 HydrophobicContact CG-CG 4.07Å; F385-F391 HydrophobicContact CZ-CE1 4.42Å; D388-F391 HydrophobicContact CB-CB 4.4Å; D388-F391 HydrophobicContact CB-CD2 3.86Å; D388-F391 PolarHBondContact O-N 2.88Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.48Å; D388-F391 PolarHBondContact OD1-N 2.91Å; F391-A393 VanDerWaalsContact C-N 3.34Å; F391-A394 WeakPolarHBondContact O-CB 3.25Å; F391-A394 PolarHBondContact O-N 3.37Å; F391-L395 PolarHBondContact O-N 2.86Å
392	V	97.4	Very high	96.2	Very high	37 Å²	37	43 Å²	43	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-44.1	170	176.1	0	0	0	0	110.8	V381 N387 D388 A394 L395 D396	V381-V392 HydrophobicContact CG1-CG2 3.66Å; N387-V392 VanDerWaalsContact OD1-CG2 3.26Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.25Å; D388-V392 WeakPolarHBondContact O-CG2 3.36Å; D388-V392 PolarHBondContact O-N 3.18Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.37Å; V392-L395 PolarHBondContact O-N 3.3Å; V392-D396 WeakPolarHBondContact O-CB 3.42Å; V392-D396 PolarHBondContact O-N 3.25Å
393	A	97.1	Very high	96.2	Very high	54 Å²	54	39 Å²	39	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-37.8	176	0	0	0	0	0	112.5	A389 G390 F391 D396 K397	A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 3.39Å; G390-A393 PolarHBondContact O-N 3.44Å; F391-A393 VanDerWaalsContact C-N 3.34Å; A393-D396 PolarHBondContact O-N 3.28Å; A393-K397 VanDerWaalsContact O-CB 3.24Å; A393-K397 WeakPolarHBondContact O-CB 3.44Å; A393-K397 PolarHBondContact O-N 3.44Å
394	A	97.4	Very high	96.1	Very high	6 Å²	6	36 Å²	36	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-45.5	174.7	0	0	0	0	0	111.9	K337 E341 G390 F391 V392 K397 A398	K337-A394 HydrophobicContact CB-CB 4.5Å; K337-A394 WeakPolarHBondContact O-CB 3.41Å; E341-A394 HydrophobicContact CB-CB 4.12Å; G390-A394 PolarHBondContact O-N 2.99Å; F391-A394 WeakPolarHBondContact O-CB 3.25Å; F391-A394 PolarHBondContact O-N 3.37Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.37Å; A394-K397 PolarHBondContact O-N 3.21Å; A394-A398 WeakPolarHBondContact O-CB 3.08Å; A394-A398 PolarHBondContact O-N 3.42Å
395	L	97.7	Very high	95.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-52	173	169.2	64.7	0	0	0	111.3	I344 N378 V381 F391 V392 K397 A398 C399	I344-L395 HydrophobicContact CD1-CB 4.23Å; I344-L395 HydrophobicContact CD1-CD1 3.83Å; I344-L395 HydrophobicContact CG2-CD1 4.29Å; N378-L395 HydrophobicContact CB-CD2 3.95Å; V381-L395 HydrophobicContact CG2-CB 4.39Å; V381-L395 HydrophobicContact CG2-CD2 4.37Å; F391-L395 PolarHBondContact O-N 2.86Å; V392-L395 PolarHBondContact O-N 3.3Å; L395-K397 VanDerWaalsContact C-N 3.3Å; L395-K397 PolarHBondContact O-N 3Å; L395-A398 PolarHBondContact O-N 2.99Å; L395-C399 WeakPolarHBondContact O-CB 3.4Å; L395-C399 PolarHBondContact O-N 2.97Å
396	D	96.5	Very high	95.7	Very high	46 Å²	46	39.7 Å²	39.7	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-42.6	-178.6	-88.3	-15	0	0	0	111.7	V392 A393 G400 K454 Y455	V392-D396 WeakPolarHBondContact O-CB 3.42Å; V392-D396 PolarHBondContact O-N 3.25Å; A393-D396 PolarHBondContact O-N 3.28Å; D396-G400 PolarHBondContact O-N 2.93Å; D396-K454 IonicContact OD1-NZ 2.86Å; D396-K454 PolarHBondContact OD1-NZ 3.46Å; D396-K454 IonicContact OD2-NZ 2.88Å; D396-K454 PolarHBondContact OD2-NZ 3.26Å; D396-Y455 HydrophobicContact CB-CE1 4.03Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.45Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.28Å; D396-Y455 PolarHBondContact OD1-OH 3.49Å
397	K	96.5	Very high	95.5	Very high	119 Å²	119	36.2 Å²	36.2	52%	0.517	21%	0.213	S	C	.	.	H	α-helix	trans	-69.2	-40.8	178.6	-173.4	172.3	164.8	-141.7	0	112	E341 A393 A394 L395 G400 R401	E341-K397 WeakPolarHBondContact OE1-CE 3.07Å; E341-K397 IonicContact OE1-NZ 3.91Å; E341-K397 PolarHBondContact OE1-NZ 2.85Å; E341-K397 VanDerWaalsContact OE1-NZ 3.15Å; E341-K397 WeakPolarHBondContact OE2-CD 3.31Å; E341-K397 WeakPolarHBondContact OE2-CE 3.28Å; E341-K397 IonicContact OE2-NZ 3.51Å; E341-K397 PolarHBondContact OE2-NZ 3.39Å; A393-K397 VanDerWaalsContact O-CB 3.24Å; A393-K397 WeakPolarHBondContact O-CB 3.44Å; A393-K397 PolarHBondContact O-N 3.44Å; A394-K397 PolarHBondContact O-N 3.21Å; L395-K397 VanDerWaalsContact C-N 3.3Å; L395-K397 PolarHBondContact O-N 3Å; K397-G400 PolarHBondContact O-N 3.01Å; K397-R401 WeakPolarHBondContact O-CG 3.33Å; K397-R401 PolarHBondContact O-N 3.24Å
398	A	97.4	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-47.9	175.4	0	0	0	0	0	111.5	E341 I344 H345 A394 L395 G400 R401 F402	E341-A398 HydrophobicContact CG-CB 4.08Å; E341-A398 WeakPolarHBondContact O-CB 3.26Å; I344-A398 HydrophobicContact CB-CB 3.68Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; H345-A398 HydrophobicContact CB-CB 4.43Å; A394-A398 WeakPolarHBondContact O-CB 3.08Å; A394-A398 PolarHBondContact O-N 3.42Å; L395-A398 PolarHBondContact O-N 2.99Å; A398-G400 PolarHBondContact O-N 3.14Å; A398-R401 PolarHBondContact O-N 3.33Å; A398-R401 VanDerWaalsContact O-N 3.09Å; A398-F402 WeakPolarHBondContact O-CD1 3.33Å; A398-F402 PolarHBondContact O-N 3.45Å
399	C	97.2	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.8	-48.7	174.3	-75	0	0	0	0	111.9	L395 R401 F402 I403 Y455	L395-C399 WeakPolarHBondContact O-CB 3.4Å; L395-C399 PolarHBondContact O-N 2.97Å; C399-R401 VanDerWaalsContact C-N 3.28Å; C399-R401 PolarHBondContact O-N 3.03Å; C399-F402 VanDerWaalsContact CA-CE1 3.47Å; C399-F402 HydrophobicContact CB-CE1 4.17Å; C399-F402 PolarHBondContact O-N 2.94Å; C399-I403 HydrophobicContact CB-CD1 4.21Å; C399-I403 VanDerWaalsContact O-CB 3.24Å; C399-I403 WeakPolarHBondContact O-CB 3.33Å; C399-I403 WeakPolarHBondContact O-CD1 3.31Å; C399-I403 WeakPolarHBondContact O-CG1 3.49Å; C399-I403 PolarHBondContact O-N 2.84Å; C399-Y455 HydrophobicContact CB-CD1 3.82Å; C399-Y455 HydrophobicContact CB-CD2 4.01Å; C399-Y455 HydrophobicContact CB-CE1 3.87Å; C399-Y455 HydrophobicContact CB-CE2 4.05Å; C399-Y455 HydrophobicContact CB-CG 3.91Å
400	G	94.7	Very high	94.6	Very high	18 Å²	18	33.3 Å²	33.3	19%	0.186	18%	0.18	C	C	.	.	H	α-helix	trans	-55.4	-40.6	173.4	0	0	0	0	0	113	D396 K397 A398 N404	D396-G400 PolarHBondContact O-N 2.93Å; K397-G400 PolarHBondContact O-N 3.01Å; A398-G400 PolarHBondContact O-N 3.14Å; G400-N404 PolarHBondContact O-N 3.29Å; G400-N404 PolarHBondContact O-ND2 3.4Å
401	R	94.8	Very high	94.1	Very high	122 Å²	122	36.9 Å²	36.9	46%	0.46	19%	0.192	S	C	.	.	H	α-helix	trans	-70.1	-50.4	-179.2	-73	177	73	-173.9	-1.2	113.2	E341 K397 A398 C399 N405	E341-R401 IonicContact OE1-NH1 3.51Å; E341-R401 PolarHBondContact OE1-NH1 3.5Å; E341-R401 VanDerWaalsContact OE1-NH1 3.11Å; K397-R401 WeakPolarHBondContact O-CG 3.33Å; K397-R401 PolarHBondContact O-N 3.24Å; A398-R401 PolarHBondContact O-N 3.33Å; A398-R401 VanDerWaalsContact O-N 3.09Å; C399-R401 VanDerWaalsContact C-N 3.28Å; C399-R401 PolarHBondContact O-N 3.03Å; R401-N405 PolarHBondContact O-N 2.77Å; R401-N405 VanDerWaalsContact O-N 3.14Å
402	F	95.6	Very high	93.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-76.8	-28.7	-175.3	81.7	-105.6	0	0	0	112.8	I344 L349 I352 V370 V373 A398 C399 N405 N406	I344-F402 HydrophobicContact CG2-CE1 4.48Å; L349-F402 HydrophobicContact CD2-CB 4.23Å; L349-F402 HydrophobicContact CG-CB 4.28Å; I352-F402 HydrophobicContact CD1-CD2 3.87Å; I352-F402 HydrophobicContact CD1-CE2 4.18Å; V370-F402 HydrophobicContact CG1-CE2 4.21Å; V370-F402 HydrophobicContact CG1-CZ 4.41Å; V370-F402 HydrophobicContact CG2-CE2 4.33Å; V373-F402 HydrophobicContact CB-CZ 4.4Å; V373-F402 HydrophobicContact CG1-CE1 4.15Å; V373-F402 HydrophobicContact CG1-CZ 3.99Å; A398-F402 WeakPolarHBondContact O-CD1 3.33Å; A398-F402 PolarHBondContact O-N 3.45Å; C399-F402 VanDerWaalsContact CA-CE1 3.47Å; C399-F402 HydrophobicContact CB-CE1 4.17Å; C399-F402 PolarHBondContact O-N 2.94Å; F402-N405 CarbonylContact O-C 3.55Å; F402-N406 VanDerWaalsContact O-CB 3.3Å; F402-N406 WeakPolarHBondContact O-CB 3.45Å; F402-N406 PolarHBondContact O-ND2 3.49Å
403	I	95	Very high	92.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-37.6	178.6	-68.7	169.2	0	0	0	111.1	V370 C399 N406 S418 V452 Y455 I456	V370-I403 HydrophobicContact CG1-CD1 3.61Å; V370-I403 HydrophobicContact CG1-CG1 3.74Å; C399-I403 HydrophobicContact CB-CD1 4.21Å; C399-I403 VanDerWaalsContact O-CB 3.24Å; C399-I403 WeakPolarHBondContact O-CB 3.33Å; C399-I403 WeakPolarHBondContact O-CD1 3.31Å; C399-I403 WeakPolarHBondContact O-CG1 3.49Å; C399-I403 PolarHBondContact O-N 2.84Å; I403-N406 PolarHBondContact O-ND2 3.15Å; I403-S418 VanDerWaalsContact O-CB 3.32Å; I403-S418 WeakPolarHBondContact O-CB 3.18Å; I403-S418 PolarHBondContact O-OG 3.36Å; I403-V452 HydrophobicContact CD1-CG1 4.4Å; I403-Y455 HydrophobicContact CD1-CD2 3.85Å; I403-Y455 HydrophobicContact CD1-CG 3.98Å; I403-I456 HydrophobicContact CG2-CD1 3.65Å
404	N	92.8	Very high	91.9	Very high	14 Å²	14	44.9 Å²	44.9	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-89.4	-13.3	-179.2	-62.3	-71.3	0	0	0	113.6	G400 Y455 E457	G400-N404 PolarHBondContact O-N 3.29Å; G400-N404 PolarHBondContact O-ND2 3.4Å; N404-Y455 PolarHBondContact ND2-O 3.37Å; N404-E457 HydrophobicContact CB-CG 4.49Å; N404-E457 PolarHBondContact OD1-N 2.79Å
405	N	92.4	Very high	91.1	Very high	86 Å²	86	46.2 Å²	46.2	46%	0.46	24%	0.237	S	C	.	.	S	Bend	trans	-145.2	104.4	175	-173.8	-8.1	0	0	0	110.9	L349 R401 F402 K410	L349-N405 VanDerWaalsContact CD2-O 3.24Å; L349-N405 WeakPolarHBondContact CD2-O 3.31Å; R401-N405 PolarHBondContact O-N 2.77Å; R401-N405 VanDerWaalsContact O-N 3.14Å; F402-N405 CarbonylContact O-C 3.55Å; N405-K410 VanDerWaalsContact OD1-CE 3.26Å; N405-K410 WeakPolarHBondContact OD1-CE 3.43Å
406	N	92	Very high	90.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-149.3	178.6	180	56.6	57.9	0	0	0	112.3	L349 I352 Y366 F402 I403 V408 T409 K410	L349-N406 HydrophobicContact CD2-CB 3.92Å; I352-N406 HydrophobicContact CB-CB 4.5Å; I352-N406 HydrophobicContact CD1-CB 3.8Å; I352-N406 HydrophobicContact CG2-CB 4.16Å; Y366-N406 PolarHBondContact OH-ND2 3.36Å; F402-N406 VanDerWaalsContact O-CB 3.3Å; F402-N406 WeakPolarHBondContact O-CB 3.45Å; F402-N406 PolarHBondContact O-ND2 3.49Å; I403-N406 PolarHBondContact O-ND2 3.15Å; N406-V408 VanDerWaalsContact C-N 3.29Å; N406-V408 PolarHBondContact O-N 3.07Å; N406-V408 WeakPolarHBondContact OD1-CA 3.4Å; N406-V408 WeakPolarHBondContact OD1-CB 3.3Å; N406-V408 PolarHBondContact OD1-N 3.39Å; N406-T409 PolarHBondContact N-OG1 3.36Å; N406-T409 PolarHBondContact O-N 2.99Å; N406-T409 PolarHBondContact O-OG1 3.29Å; N406-T409 PolarHBondContact OD1-N 3.3Å; N406-K410 WeakPolarHBondContact O-CG 3.37Å; N406-K410 PolarHBondContact O-N 2.88Å
407	A	90.1	Very high	90.2	Very high	27 Å²	27	45.3 Å²	45.3	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-50.9	-44.2	178.5	0	0	0	0	0	113.3	I352 E353 K410 M411	I352-A407 HydrophobicContact CG2-CB 4.5Å; E353-A407 HydrophobicContact CB-CB 4.26Å; A407-K410 PolarHBondContact O-N 3.39Å; A407-M411 WeakPolarHBondContact O-CB 3.24Å; A407-M411 VanDerWaalsContact O-CG 3.26Å; A407-M411 WeakPolarHBondContact O-CG 3.49Å; A407-M411 PolarHBondContact O-N 2.94Å
408	V	90.1	Very high	90.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-44.7	180	175	0	0	0	0	111.8	I352 A359 L360 Y366 N406 K410 M411 A412 K417 L421	I352-V408 HydrophobicContact CG2-CB 4.42Å; I352-V408 HydrophobicContact CG2-CG2 3.7Å; A359-V408 HydrophobicContact CB-CG2 3.79Å; L360-V408 HydrophobicContact CD1-CG1 3.92Å; Y366-V408 HydrophobicContact CD2-CB 4.48Å; Y366-V408 HydrophobicContact CD2-CG2 4.07Å; Y366-V408 HydrophobicContact CE2-CB 4.18Å; Y366-V408 HydrophobicContact CE2-CG1 4.48Å; Y366-V408 HydrophobicContact CE2-CG2 4.15Å; N406-V408 VanDerWaalsContact C-N 3.29Å; N406-V408 PolarHBondContact O-N 3.07Å; N406-V408 WeakPolarHBondContact OD1-CA 3.4Å; N406-V408 WeakPolarHBondContact OD1-CB 3.3Å; N406-V408 PolarHBondContact OD1-N 3.39Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.9Å; V408-M411 PolarHBondContact O-N 3.47Å; V408-A412 WeakPolarHBondContact O-CB 3.4Å; V408-A412 PolarHBondContact O-N 2.94Å; V408-K417 HydrophobicContact CG1-CG 3.92Å; V408-L421 HydrophobicContact CG1-CD1 3.75Å
409	T	89	Confident	89.9	Confident	7 Å²	7	39.6 Å²	39.6	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-33.9	176	60	0	0	0	0	112.6	N406 Q413 S414 S418	N406-T409 PolarHBondContact N-OG1 3.36Å; N406-T409 PolarHBondContact O-N 2.99Å; N406-T409 PolarHBondContact O-OG1 3.29Å; N406-T409 PolarHBondContact OD1-N 3.3Å; T409-Q413 PolarHBondContact O-N 3.47Å; T409-Q413 VanDerWaalsContact O-N 3.1Å; T409-S414 PolarHBondContact O-N 3.22Å; T409-S418 WeakPolarHBondContact CG2-OG 3.47Å
410	K	88.7	Confident	89.8	Confident	135 Å²	135	39.7 Å²	39.7	59%	0.587	21%	0.207	S	C	*	.	H	α-helix	trans	-70.6	-45.6	176	-70.7	174.4	-177.4	177.1	0	111.5	N405 N406 A407 V408 A412 Q413	N405-K410 VanDerWaalsContact OD1-CE 3.26Å; N405-K410 WeakPolarHBondContact OD1-CE 3.43Å; N406-K410 WeakPolarHBondContact O-CG 3.37Å; N406-K410 PolarHBondContact O-N 2.88Å; A407-K410 PolarHBondContact O-N 3.39Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.9Å; K410-A412 VanDerWaalsContact C-N 3.3Å; K410-A412 PolarHBondContact O-N 2.77Å; K410-Q413 PolarHBondContact O-N 3.33Å
411	M	85.8	Confident	89.7	Confident	97 Å²	97	39 Å²	39	48%	0.478	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-41.9	174.6	-74.5	175.3	131.8	0	0	111.7	E357 A407 V408 Q413	E357-M411 HydrophobicContact CG-CE 3.56Å; E357-M411 HydrophobicContact CG-SD 4.48Å; A407-M411 WeakPolarHBondContact O-CB 3.24Å; A407-M411 VanDerWaalsContact O-CG 3.26Å; A407-M411 WeakPolarHBondContact O-CG 3.49Å; A407-M411 PolarHBondContact O-N 2.94Å; V408-M411 PolarHBondContact O-N 3.47Å; M411-Q413 PolarHBondContact O-N 2.94Å
412	A	82.2	Confident	89.8	Confident	36 Å²	36	33.2 Å²	33.2	30%	0.298	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.6	176.4	0	0	0	0	0	114.1	L360 V408 K410 S414 K417	L360-A412 HydrophobicContact CD1-CB 4.07Å; V408-A412 WeakPolarHBondContact O-CB 3.4Å; V408-A412 PolarHBondContact O-N 2.94Å; K410-A412 VanDerWaalsContact C-N 3.3Å; K410-A412 PolarHBondContact O-N 2.77Å; A412-S414 PolarHBondContact O-N 3.04Å; A412-S414 VanDerWaalsContact O-N 3.09Å; A412-K417 HydrophobicContact CB-CB 3.71Å; A412-K417 HydrophobicContact CB-CD 4.08Å; A412-K417 HydrophobicContact CB-CG 3.7Å
413	Q	82.7	Confident	89.8	Confident	185 Å²	185	33.1 Å²	33.1	86%	0.864	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	29.8	-173.5	-59.8	-177.5	-17	0	0	113.8	T409 K410 M411	T409-Q413 PolarHBondContact O-N 3.47Å; T409-Q413 VanDerWaalsContact O-N 3.1Å; K410-Q413 PolarHBondContact O-N 3.33Å; M411-Q413 PolarHBondContact O-N 2.94Å
414	S	81.4	Confident	89.8	Confident	37 Å²	37	36.7 Å²	36.7	26%	0.259	19%	0.19	S	C	.	.			trans	-157.2	123.4	-172.7	-173.2	0	0	0	0	112.2	T409 A412 S416 K417	T409-S414 PolarHBondContact O-N 3.22Å; A412-S414 PolarHBondContact O-N 3.04Å; A412-S414 VanDerWaalsContact O-N 3.09Å; S414-S416 PolarHBondContact O-N 3.47Å; S414-S416 VanDerWaalsContact OG-CB 3.27Å; S414-S416 WeakPolarHBondContact OG-CB 3.29Å; S414-S416 PolarHBondContact OG-N 3Å; S414-S416 PolarHBondContact OG-OG 3.38Å; S414-K417 PolarHBondContact O-N 3.32Å
415	S	79.6	Confident	89.9	Confident	34 Å²	34	36.5 Å²	36.5	24%	0.238	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	169.5	54.9	0	0	0	0	112.2	K417 P419 D458	S415-K417 PolarHBondContact O-N 3.05Å; S415-K417 VanDerWaalsContact O-N 3.13Å; S415-P419 WeakPolarHBondContact O-CD 3.41Å; S415-D458 PolarHBondContact OG-OD2 3.47Å
416	S	86.3	Confident	90	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.1	178.4	-52.5	0	0	0	0	113.5	S414 P419 E420	S414-S416 PolarHBondContact O-N 3.47Å; S414-S416 VanDerWaalsContact OG-CB 3.27Å; S414-S416 WeakPolarHBondContact OG-CB 3.29Å; S414-S416 PolarHBondContact OG-N 3Å; S414-S416 PolarHBondContact OG-OG 3.38Å; S416-P419 WeakPolarHBondContact O-CD 3.34Å; S416-P419 WeakPolarHBondContact O-CG 3.24Å; S416-E420 WeakPolarHBondContact O-CB 3.49Å; S416-E420 PolarHBondContact O-N 3.04Å; S416-E420 VanDerWaalsContact O-N 3.15Å
417	K	90.6	Very high	90.2	Very high	24 Å²	24	34 Å²	34	10%	0.104	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-38.1	-178	-169.3	63.1	-179.8	178.1	0	112.7	L360 V408 A412 S414 S415 E420 L421	L360-K417 HydrophobicContact CD1-CD 4.38Å; L360-K417 HydrophobicContact CD1-CG 4.23Å; L360-K417 WeakPolarHBondContact O-CE 3.49Å; V408-K417 HydrophobicContact CG1-CG 3.92Å; A412-K417 HydrophobicContact CB-CB 3.71Å; A412-K417 HydrophobicContact CB-CD 4.08Å; A412-K417 HydrophobicContact CB-CG 3.7Å; S414-K417 PolarHBondContact O-N 3.32Å; S415-K417 PolarHBondContact O-N 3.05Å; S415-K417 VanDerWaalsContact O-N 3.13Å; K417-E420 IonicContact NZ-OE1 2.79Å; K417-E420 PolarHBondContact NZ-OE1 3.45Å; K417-E420 IonicContact NZ-OE2 3.98Å; K417-E420 WeakPolarHBondContact O-CB 3.15Å; K417-E420 PolarHBondContact O-N 3.22Å; K417-L421 HydrophobicContact CD-CG 4.44Å; K417-L421 HydrophobicContact CG-CD1 4.15Å; K417-L421 HydrophobicContact CG-CG 4.34Å; K417-L421 WeakPolarHBondContact O-CG 3.42Å; K417-L421 PolarHBondContact O-N 3.38Å
418	S	93.5	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-53.1	177.1	-58.9	0	0	0	0	112.5	Y366 I403 T409 E420 L421 L422	Y366-S418 WeakPolarHBondContact OH-CB 3.35Å; Y366-S418 PolarHBondContact OH-OG 2.93Å; I403-S418 VanDerWaalsContact O-CB 3.32Å; I403-S418 WeakPolarHBondContact O-CB 3.18Å; I403-S418 PolarHBondContact O-OG 3.36Å; T409-S418 WeakPolarHBondContact CG2-OG 3.47Å; S418-E420 VanDerWaalsContact C-N 3.31Å; S418-E420 PolarHBondContact O-N 3.32Å; S418-L421 PolarHBondContact O-N 3.03Å; S418-L422 PolarHBondContact O-N 2.97Å
419	P	94.4	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-35.1	173.8	5.8	-13.5	0	0	0	113.9	S415 S416 L422 A423 I456 D458 V461 F462	S415-P419 WeakPolarHBondContact O-CD 3.41Å; S416-P419 WeakPolarHBondContact O-CD 3.34Å; S416-P419 WeakPolarHBondContact O-CG 3.24Å; P419-L422 PolarHBondContact O-N 3.42Å; P419-A423 WeakPolarHBondContact O-CB 3.23Å; P419-A423 PolarHBondContact O-N 3.09Å; P419-I456 HydrophobicContact CB-CG2 3.82Å; P419-I456 HydrophobicContact CG-CG2 3.91Å; P419-D458 HydrophobicContact CG-CB 4.19Å; P419-V461 HydrophobicContact CB-CB 4.07Å; P419-V461 HydrophobicContact CB-CG1 4.06Å; P419-V461 HydrophobicContact CG-CB 4.01Å; P419-V461 HydrophobicContact CG-CG1 4.06Å; P419-F462 HydrophobicContact CB-CB 3.9Å
420	E	93.2	Very high	90.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-48.4	175	-174.3	-162.1	124.2	0	0	111.5	S416 K417 S418 L422 A423 R424 F465 Q696 H700	S416-E420 WeakPolarHBondContact O-CB 3.49Å; S416-E420 PolarHBondContact O-N 3.04Å; S416-E420 VanDerWaalsContact O-N 3.15Å; K417-E420 IonicContact NZ-OE1 2.79Å; K417-E420 PolarHBondContact NZ-OE1 3.45Å; K417-E420 IonicContact NZ-OE2 3.98Å; K417-E420 WeakPolarHBondContact O-CB 3.15Å; K417-E420 PolarHBondContact O-N 3.22Å; S418-E420 VanDerWaalsContact C-N 3.31Å; S418-E420 PolarHBondContact O-N 3.32Å; E420-L422 VanDerWaalsContact C-N 3.34Å; E420-L422 PolarHBondContact O-N 3.48Å; E420-A423 PolarHBondContact O-N 2.97Å; E420-R424 WeakPolarHBondContact O-CG 3.34Å; E420-R424 PolarHBondContact O-N 2.87Å; E420-R424 IonicContact OE1-CZ 3.93Å; E420-R424 IonicContact OE1-NE 2.76Å; E420-R424 PolarHBondContact OE1-NE 3.31Å; E420-R424 IonicContact OE1-NH2 3.23Å; E420-R424 PolarHBondContact OE1-NH2 3.44Å; E420-R424 VanDerWaalsContact OE1-NH2 3.13Å; E420-F465 HydrophobicContact CB-CD2 4.1Å; E420-F465 HydrophobicContact CB-CE2 4.1Å; E420-F465 HydrophobicContact CG-CD1 3.95Å; E420-F465 HydrophobicContact CG-CD2 3.93Å; E420-F465 HydrophobicContact CG-CE1 3.85Å; E420-F465 HydrophobicContact CG-CE2 3.83Å; E420-F465 HydrophobicContact CG-CG 4Å; E420-F465 HydrophobicContact CG-CZ 3.8Å; E420-Q696 PolarHBondContact OE1-NE2 3.01Å; E420-Q696 PolarHBondContact OE2-NE2 3.34Å; E420-H700 IonicContact OE2-CE1 3.47Å; E420-H700 IonicContact OE2-NE2 3.87Å; E420-H700 PolarHBondContact OE2-NE2 2.92Å
421	L	94.2	Very high	90.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-41.7	178.1	-72.4	173.6	0	0	0	111.2	A359 P363 Y366 V408 K417 S418 A423 R424 Y425	A359-L421 WeakPolarHBondContact O-CD1 3.49Å; P363-L421 HydrophobicContact CB-CD2 4.45Å; P363-L421 WeakPolarHBondContact CB-O 3.34Å; P363-L421 HydrophobicContact CG-CD2 4.09Å; Y366-L421 HydrophobicContact CD1-CB 4.01Å; Y366-L421 HydrophobicContact CD1-CD1 3.98Å; Y366-L421 HydrophobicContact CD2-CD1 4.11Å; Y366-L421 HydrophobicContact CE1-CD1 4.44Å; Y366-L421 HydrophobicContact CG-CD1 3.81Å; V408-L421 HydrophobicContact CG1-CD1 3.75Å; K417-L421 HydrophobicContact CD-CG 4.44Å; K417-L421 HydrophobicContact CG-CD1 4.15Å; K417-L421 HydrophobicContact CG-CG 4.34Å; K417-L421 WeakPolarHBondContact O-CG 3.42Å; K417-L421 PolarHBondContact O-N 3.38Å; S418-L421 PolarHBondContact O-N 3.03Å; L421-A423 VanDerWaalsContact C-N 3.33Å; L421-A423 PolarHBondContact O-N 3.42Å; L421-R424 PolarHBondContact O-N 3.15Å; L421-Y425 PolarHBondContact O-N 3.24Å
422	L	96.3	Very high	91.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-44.7	175.3	-170.2	65.7	0	0	0	111.3	V367 S418 P419 E420 R424 Y425 C426 V449 V452 F453 I456 F462	V367-L422 HydrophobicContact CG1-CD1 4.03Å; V367-L422 HydrophobicContact CG2-CD1 3.73Å; S418-L422 PolarHBondContact O-N 2.97Å; P419-L422 PolarHBondContact O-N 3.42Å; E420-L422 VanDerWaalsContact C-N 3.34Å; E420-L422 PolarHBondContact O-N 3.48Å; L422-R424 PolarHBondContact O-N 3.29Å; L422-Y425 PolarHBondContact O-N 3.16Å; L422-C426 PolarHBondContact O-N 2.91Å; L422-C426 PolarHBondContact O-SG 2.89Å; L422-V449 HydrophobicContact CD1-CG1 3.88Å; L422-V449 HydrophobicContact CG-CG1 4.2Å; L422-V452 HydrophobicContact CD1-CB 4.1Å; L422-V452 HydrophobicContact CD1-CG1 4.07Å; L422-V452 HydrophobicContact CD2-CB 4.41Å; L422-V452 HydrophobicContact CD2-CG1 4.22Å; L422-F453 HydrophobicContact CD2-CB 3.99Å; L422-F453 HydrophobicContact CD2-CD2 4.26Å; L422-I456 HydrophobicContact CD2-CG1 4.05Å; L422-F462 HydrophobicContact CB-CD2 4.12Å; L422-F462 HydrophobicContact CB-CE2 4.29Å; L422-F462 HydrophobicContact CD2-CD2 4.11Å; L422-F462 HydrophobicContact CD2-CE2 4.17Å; L422-F462 HydrophobicContact CG-CD2 4.12Å; L422-F462 HydrophobicContact CG-CE2 3.93Å
423	A	95.6	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-40	176.5	0	0	0	0	0	112.6	P419 E420 L421 Y425 C426 D427 F462 F465	P419-A423 WeakPolarHBondContact O-CB 3.23Å; P419-A423 PolarHBondContact O-N 3.09Å; E420-A423 PolarHBondContact O-N 2.97Å; L421-A423 VanDerWaalsContact C-N 3.33Å; L421-A423 PolarHBondContact O-N 3.42Å; A423-Y425 VanDerWaalsContact C-N 3.34Å; A423-C426 PolarHBondContact O-N 3.44Å; A423-D427 PolarHBondContact O-N 3.38Å; A423-F462 VanDerWaalsContact CA-CE2 3.5Å; A423-F462 HydrophobicContact CB-CD2 3.69Å; A423-F462 HydrophobicContact CB-CE2 3.89Å; A423-F462 HydrophobicContact CB-CG 4.31Å; A423-F465 HydrophobicContact CB-CB 3.78Å
424	R	94.4	Very high	91.4	Very high	77 Å²	77	35 Å²	35	29%	0.291	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-36.7	175.2	-73.2	177.3	-174.7	-82.8	6.1	112.6	P363 E420 L421 L422 D427 S428 M469	P363-R424 HydrophobicContact CB-CB 4.03Å; P363-R424 HydrophobicContact CG-CB 3.6Å; E420-R424 WeakPolarHBondContact O-CG 3.34Å; E420-R424 PolarHBondContact O-N 2.87Å; E420-R424 IonicContact OE1-CZ 3.93Å; E420-R424 IonicContact OE1-NE 2.76Å; E420-R424 PolarHBondContact OE1-NE 3.31Å; E420-R424 IonicContact OE1-NH2 3.23Å; E420-R424 PolarHBondContact OE1-NH2 3.44Å; E420-R424 VanDerWaalsContact OE1-NH2 3.13Å; L421-R424 PolarHBondContact O-N 3.15Å; L422-R424 PolarHBondContact O-N 3.29Å; R424-D427 PolarHBondContact O-N 3.49Å; R424-S428 PolarHBondContact O-N 3.11Å; R424-M469 HydrophobicContact CB-CE 4.42Å; R424-M469 HydrophobicContact CG-CE 3.41Å; R424-M469 VanDerWaalsContact CG-CE 3.41Å; R424-M469 HydrophobicContact CG-SD 4.22Å
425	Y	95.5	Very high	91.6	Very high	10 Å²	10	42 Å²	42	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-43.1	175	-176.6	-123.2	0	0	0	111.1	K364 V367 L421 L422 A423 D427 S428 L429 T445 V449	K364-Y425 HydrophobicContact CB-CD2 3.82Å; K364-Y425 HydrophobicContact CB-CE2 3.63Å; K364-Y425 HydrophobicContact CD-CE2 4.29Å; K364-Y425 HydrophobicContact CG-CD2 4.34Å; K364-Y425 HydrophobicContact CG-CE2 3.63Å; V367-Y425 HydrophobicContact CB-CD1 3.74Å; V367-Y425 HydrophobicContact CB-CE1 4.11Å; V367-Y425 HydrophobicContact CB-CG 4.16Å; V367-Y425 HydrophobicContact CG1-CD1 3.61Å; V367-Y425 HydrophobicContact CG1-CE1 3.76Å; V367-Y425 HydrophobicContact CG2-CD1 3.87Å; V367-Y425 HydrophobicContact CG2-CG 4.03Å; L421-Y425 PolarHBondContact O-N 3.24Å; L422-Y425 PolarHBondContact O-N 3.16Å; A423-Y425 VanDerWaalsContact C-N 3.34Å; Y425-D427 VanDerWaalsContact C-N 3.3Å; Y425-D427 PolarHBondContact O-N 3.44Å; Y425-S428 PolarHBondContact O-N 3.11Å; Y425-S428 PolarHBondContact O-OG 2.95Å; Y425-L429 HydrophobicContact CD1-CD1 4.11Å; Y425-L429 HydrophobicContact CE1-CD1 3.75Å; Y425-L429 HydrophobicContact CE1-CG 4.48Å; Y425-L429 HydrophobicContact CE2-CD1 4.37Å; Y425-L429 HydrophobicContact CE2-CD2 4.26Å; Y425-L429 HydrophobicContact CE2-CG 4.24Å; Y425-L429 WeakPolarHBondContact O-CG 3.42Å; Y425-L429 PolarHBondContact O-N 3.3Å; Y425-L429 VanDerWaalsContact O-N 3.14Å; Y425-T445 HydrophobicContact CE1-CG2 4.4Å; Y425-V449 HydrophobicContact CD1-CG2 3.83Å; Y425-V449 HydrophobicContact CE1-CG2 3.9Å
426	C	95.3	Very high	91.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-42.2	172.1	-59.4	0	0	0	0	112.4	L422 A423 S428 L429 L430 V449 Y466	L422-C426 PolarHBondContact O-N 2.91Å; L422-C426 PolarHBondContact O-SG 2.89Å; A423-C426 PolarHBondContact O-N 3.44Å; C426-S428 VanDerWaalsContact C-N 3.33Å; C426-S428 PolarHBondContact O-N 3.39Å; C426-L429 PolarHBondContact O-N 3.04Å; C426-L430 WeakPolarHBondContact O-CB 3.38Å; C426-L430 WeakPolarHBondContact O-CG 3.46Å; C426-L430 PolarHBondContact O-N 3.29Å; C426-V449 WeakPolarHBondContact SG-CG1 3.32Å; C426-Y466 HydrophobicContact CB-CD2 4.17Å; C426-Y466 HydrophobicContact CB-CE2 3.94Å
427	D	94.6	Very high	91.5	Very high	32 Å²	32	44.5 Å²	44.5	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-42.4	176.6	177.8	69.9	0	0	0	112	A423 R424 Y425 L429 L430 K431 M469 R473	A423-D427 PolarHBondContact O-N 3.38Å; R424-D427 PolarHBondContact O-N 3.49Å; Y425-D427 VanDerWaalsContact C-N 3.3Å; Y425-D427 PolarHBondContact O-N 3.44Å; D427-L429 VanDerWaalsContact C-N 3.31Å; D427-L429 PolarHBondContact O-N 3.49Å; D427-L430 PolarHBondContact O-N 3.23Å; D427-K431 WeakPolarHBondContact O-CB 3.43Å; D427-K431 PolarHBondContact O-N 2.89Å; D427-M469 HydrophobicContact CB-CB 4.02Å; D427-M469 HydrophobicContact CB-CG 4.16Å; D427-M469 HydrophobicContact CB-SD 3.59Å; D427-M469 VanDerWaalsContact CB-SD 3.59Å; D427-M469 WeakPolarHBondContact OD1-CB 3.34Å; D427-R473 WeakPolarHBondContact OD1-CD 3.35Å; D427-R473 IonicContact OD1-CZ 3.53Å; D427-R473 IonicContact OD1-NE 3.05Å; D427-R473 IonicContact OD1-NH1 2.74Å; D427-R473 PolarHBondContact OD1-NH1 2.98Å
428	S	93.3	Very high	91.5	Very high	62 Å²	62	50.4 Å²	50.4	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-32.5	179.7	73.7	0	0	0	0	113	R424 Y425 C426	R424-S428 PolarHBondContact O-N 3.11Å; Y425-S428 PolarHBondContact O-N 3.11Å; Y425-S428 PolarHBondContact O-OG 2.95Å; C426-S428 VanDerWaalsContact C-N 3.33Å; C426-S428 PolarHBondContact O-N 3.39Å
429	L	93.4	Very high	91.3	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-71.4	-42	174.6	-66.5	173.2	0	0	0	112.5	Y425 C426 D427 N436 L442 T445 V449	Y425-L429 HydrophobicContact CD1-CD1 4.11Å; Y425-L429 HydrophobicContact CE1-CD1 3.75Å; Y425-L429 HydrophobicContact CE1-CG 4.48Å; Y425-L429 HydrophobicContact CE2-CD1 4.37Å; Y425-L429 HydrophobicContact CE2-CD2 4.26Å; Y425-L429 HydrophobicContact CE2-CG 4.24Å; Y425-L429 WeakPolarHBondContact O-CG 3.42Å; Y425-L429 PolarHBondContact O-N 3.3Å; Y425-L429 VanDerWaalsContact O-N 3.14Å; C426-L429 PolarHBondContact O-N 3.04Å; D427-L429 VanDerWaalsContact C-N 3.31Å; D427-L429 PolarHBondContact O-N 3.49Å; L429-N436 PolarHBondContact O-ND2 3.2Å; L429-L442 HydrophobicContact CB-CD1 4.03Å; L429-T445 HydrophobicContact CD1-CG2 3.62Å; L429-T445 HydrophobicContact CD2-CG2 4.1Å; L429-V449 HydrophobicContact CD1-CG2 4.28Å
430	L	94.9	Very high	91.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-87.5	-7.2	-174.7	-67.1	169.5	0	0	0	113.5	C426 D427 L446 Y466 S479 A480 A484 M488	C426-L430 WeakPolarHBondContact O-CB 3.38Å; C426-L430 WeakPolarHBondContact O-CG 3.46Å; C426-L430 PolarHBondContact O-N 3.29Å; D427-L430 PolarHBondContact O-N 3.23Å; L430-L446 HydrophobicContact CD2-CD1 4.23Å; L430-L446 HydrophobicContact CD2-CD2 4.39Å; L430-L446 HydrophobicContact CG-CD2 4.45Å; L430-Y466 HydrophobicContact CD1-CE2 4.19Å; L430-Y466 VanDerWaalsContact CD1-OH 3.3Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.14Å; L430-S479 CarbonylContact O-C 3.58Å; L430-S479 WeakPolarHBondContact O-CA 3.4Å; L430-A480 WeakPolarHBondContact O-CB 3.48Å; L430-A480 PolarHBondContact O-N 3.41Å; L430-A484 HydrophobicContact CD2-CB 3.89Å; L430-M488 HydrophobicContact CD1-CB 4.23Å; L430-M488 HydrophobicContact CD1-CG 4.18Å
431	K	92.6	Very high	91.1	Very high	93 Å²	93	65.1 Å²	65.1	40%	0.404	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-80.6	141.3	174.5	-169.9	174.3	-174.9	176.5	0	110.4	D427 S433 N436 N478	D427-K431 WeakPolarHBondContact O-CB 3.43Å; D427-K431 PolarHBondContact O-N 2.89Å; K431-S433 PolarHBondContact O-N 3.02Å; K431-N436 PolarHBondContact O-ND2 3.03Å; K431-N436 PolarHBondContact O-OD1 2.9Å; K431-N478 CarbonylContact C-O 3.55Å; K431-N478 WeakPolarHBondContact CA-O 3.35Å; K431-N478 WeakPolarHBondContact CE-ND2 3.35Å
432	K	90.7	Very high	91.1	Very high	145 Å²	145	65.4 Å²	65.4	63%	0.63	34%	0.342	S	S	*	.			trans	-62.6	120.5	176	-169.4	175.2	-176.7	169.8	0	110.1	N478	K432-N478 WeakPolarHBondContact CB-OD1 3.42Å; K432-N478 PolarHBondContact N-O 3.3Å
433	S	87.6	Confident	91	Very high	63 Å²	63	68.1 Å²	68.1	44%	0.441	36%	0.355	S	S	.	.			trans	-147.2	154.8	174.5	154.3	0	0	0	0	109.5	K431 K435 N436	K431-S433 PolarHBondContact O-N 3.02Å; S433-K435 PolarHBondContact O-N 2.68Å; S433-K435 PolarHBondContact OG-N 2.83Å; S433-K435 VanDerWaalsContact OG-N 3.15Å; S433-N436 VanDerWaalsContact CA-OD1 3.26Å; S433-N436 WeakPolarHBondContact CA-OD1 3.39Å; S433-N436 WeakPolarHBondContact CB-OD1 3.43Å; S433-N436 PolarHBondContact N-OD1 3.38Å; S433-N436 PolarHBondContact O-N 3.48Å; S433-N436 PolarHBondContact O-OD1 3.25Å
434	S	82	Confident	90.9	Very high	128 Å²	128	72.8 Å²	72.8	90%	0.895	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-9.4	175.9	55.2	0	0	0	0	113.2
435	K	85	Confident	90.8	Very high	184 Å²	184	70.4 Å²	70.4	80%	0.8	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	15.2	178.8	-59	-175	178	-176.1	0	112.9	S433	S433-K435 PolarHBondContact O-N 2.68Å; S433-K435 PolarHBondContact OG-N 2.83Å; S433-K435 VanDerWaalsContact OG-N 3.15Å
436	N	82.6	Confident	90.8	Very high	48 Å²	48	69.9 Å²	69.9	26%	0.257	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-65.3	134.2	179	-76.7	38.5	0	0	0	109.3	L429 K431 S433 A480	L429-N436 PolarHBondContact O-ND2 3.2Å; K431-N436 PolarHBondContact O-ND2 3.03Å; K431-N436 PolarHBondContact O-OD1 2.9Å; S433-N436 VanDerWaalsContact CA-OD1 3.26Å; S433-N436 WeakPolarHBondContact CA-OD1 3.39Å; S433-N436 WeakPolarHBondContact CB-OD1 3.43Å; S433-N436 PolarHBondContact N-OD1 3.38Å; S433-N436 PolarHBondContact O-N 3.48Å; S433-N436 PolarHBondContact O-OD1 3.25Å; N436-A480 WeakPolarHBondContact ND2-CB 3.36Å
437	P	82.9	Confident	90.8	Very high	44 Å²	44	72.9 Å²	72.9	29%	0.286	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-63.5	164.3	174.9	24.9	-29.8	0	0	0	110.7	E441 L442	P437-E441 HydrophobicContact CB-CB 3.91Å; P437-L442 HydrophobicContact CG-CB 4.07Å; P437-L442 HydrophobicContact CG-CD1 4.15Å
438	E	89.2	Confident	90.8	Very high	149 Å²	149	73.9 Å²	73.9	70%	0.696	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-60.2	157	172	-65.9	-171.5	174.8	0	0	110.6	A440 E441 L442	E438-A440 VanDerWaalsContact C-N 3.27Å; E438-A440 PolarHBondContact O-N 2.88Å; E438-E441 PolarHBondContact O-N 3.38Å; E438-E441 VanDerWaalsContact O-N 3.11Å; E438-L442 WeakPolarHBondContact O-CB 3.31Å; E438-L442 PolarHBondContact O-N 3.42Å
439	E	88.9	Confident	90.9	Very high	130 Å²	130	70.9 Å²	70.9	61%	0.607	37%	0.371	S	S	*	.	H	α-helix	trans	-57.8	-38.7	-172.2	-170.7	167.3	-160.4	0	0	113.1	L442 E443	E439-L442 PolarHBondContact O-N 3.49Å; E439-E443 WeakPolarHBondContact O-CB 3.4Å; E439-E443 PolarHBondContact O-N 3.22Å
440	A	92.2	Very high	91	Very high	69 Å²	69	71.3 Å²	71.3	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-66.5	-46.2	175.9	0	0	0	0	0	112.6	E438 L442 E443 D444	E438-A440 VanDerWaalsContact C-N 3.27Å; E438-A440 PolarHBondContact O-N 2.88Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 3.47Å; A440-E443 PolarHBondContact O-N 3.02Å; A440-D444 PolarHBondContact O-N 2.97Å
441	E	93.1	Very high	91	Very high	111 Å²	111	73.7 Å²	73.7	52%	0.519	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-36.1	177.3	-68	-175.2	166	0	0	112.1	P437 E438 D444 T445	P437-E441 HydrophobicContact CB-CB 3.91Å; E438-E441 PolarHBondContact O-N 3.38Å; E438-E441 VanDerWaalsContact O-N 3.11Å; E441-D444 PolarHBondContact O-N 3.02Å; E441-T445 WeakPolarHBondContact O-CB 3.38Å; E441-T445 PolarHBondContact O-N 3.5Å; E441-T445 PolarHBondContact O-OG1 3.09Å
442	L	92.8	Very high	91.2	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.047	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-47.9	174.3	-179.1	58.4	0	0	0	110.3	L429 P437 E438 E439 A440 D444 T445 L446 A484	L429-L442 HydrophobicContact CB-CD1 4.03Å; P437-L442 HydrophobicContact CG-CB 4.07Å; P437-L442 HydrophobicContact CG-CD1 4.15Å; E438-L442 WeakPolarHBondContact O-CB 3.31Å; E438-L442 PolarHBondContact O-N 3.42Å; E439-L442 PolarHBondContact O-N 3.49Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 3.47Å; L442-D444 PolarHBondContact O-N 3.36Å; L442-T445 WeakPolarHBondContact O-CB 3.08Å; L442-T445 PolarHBondContact O-N 3.01Å; L442-T445 VanDerWaalsContact O-N 3.16Å; L442-L446 HydrophobicContact CD1-CG 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.35Å; L442-L446 WeakPolarHBondContact O-CG 3.19Å; L442-L446 PolarHBondContact O-N 2.98Å; L442-A484 HydrophobicContact CD2-CB 3.82Å
443	E	94	Very high	91.4	Very high	58 Å²	58	62.6 Å²	62.6	27%	0.271	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-42.4	179	-174.7	63.4	-164.1	0	0	111.8	E439 A440 T445 L446 N447 S487 K491	E439-E443 WeakPolarHBondContact O-CB 3.4Å; E439-E443 PolarHBondContact O-N 3.22Å; A440-E443 PolarHBondContact O-N 3.02Å; E443-T445 VanDerWaalsContact C-N 3.33Å; E443-T445 PolarHBondContact O-N 3.2Å; E443-L446 PolarHBondContact O-N 3.46Å; E443-N447 PolarHBondContact O-N 2.89Å; E443-N447 PolarHBondContact O-ND2 2.65Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; E443-S487 PolarHBondContact OE1-OG 2.74Å; E443-S487 PolarHBondContact OE2-OG 3.28Å; E443-K491 WeakPolarHBondContact OE1-CE 3.34Å; E443-K491 IonicContact OE1-NZ 2.7Å; E443-K491 PolarHBondContact OE1-NZ 2.95Å
444	D	94.3	Very high	91.7	Very high	97 Å²	97	65.1 Å²	65.1	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-40.1	173.6	-79.3	-17.6	0	0	0	112.3	A440 E441 L442 N447 Q448	A440-D444 PolarHBondContact O-N 2.97Å; E441-D444 PolarHBondContact O-N 3.02Å; L442-D444 PolarHBondContact O-N 3.36Å; D444-N447 WeakPolarHBondContact O-CB 3.41Å; D444-N447 PolarHBondContact O-N 2.75Å; D444-Q448 WeakPolarHBondContact O-CG 3.39Å; D444-Q448 PolarHBondContact O-N 3.3Å
445	T	92.9	Very high	92.3	Very high	27 Å²	27	60.1 Å²	60.1	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-39.6	176.4	-53.9	0	0	0	0	111	Y425 L429 E441 L442 E443 N447 Q448 V449	Y425-T445 HydrophobicContact CE1-CG2 4.4Å; L429-T445 HydrophobicContact CD1-CG2 3.62Å; L429-T445 HydrophobicContact CD2-CG2 4.1Å; E441-T445 WeakPolarHBondContact O-CB 3.38Å; E441-T445 PolarHBondContact O-N 3.5Å; E441-T445 PolarHBondContact O-OG1 3.09Å; L442-T445 WeakPolarHBondContact O-CB 3.08Å; L442-T445 PolarHBondContact O-N 3.01Å; L442-T445 VanDerWaalsContact O-N 3.16Å; E443-T445 VanDerWaalsContact C-N 3.33Å; E443-T445 PolarHBondContact O-N 3.2Å; T445-N447 VanDerWaalsContact C-N 3.35Å; T445-Q448 WeakPolarHBondContact O-CB 3.36Å; T445-Q448 PolarHBondContact O-N 2.97Å; T445-V449 WeakPolarHBondContact O-CG2 3.19Å; T445-V449 PolarHBondContact O-N 3.27Å
446	L	94.8	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-37.5	174.3	-68	176.2	0	0	0	111.7	L430 L442 E443 Q448 V449 M450 M488	L430-L446 HydrophobicContact CD2-CD1 4.23Å; L430-L446 HydrophobicContact CD2-CD2 4.39Å; L430-L446 HydrophobicContact CG-CD2 4.45Å; L442-L446 HydrophobicContact CD1-CG 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.35Å; L442-L446 WeakPolarHBondContact O-CG 3.19Å; L442-L446 PolarHBondContact O-N 2.98Å; E443-L446 PolarHBondContact O-N 3.46Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.48Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.28Å; L446-M450 WeakPolarHBondContact O-CG 3.16Å; L446-M450 PolarHBondContact O-N 3.07Å; L446-M488 HydrophobicContact CD2-SD 4.03Å
447	N	95.7	Very high	93.1	Very high	63 Å²	63	52.8 Å²	52.8	34%	0.337	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-41.6	172.3	-71.6	-39	0	0	0	111.5	E443 D444 T445 M450 V451 K491	E443-N447 PolarHBondContact O-N 2.89Å; E443-N447 PolarHBondContact O-ND2 2.65Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; D444-N447 WeakPolarHBondContact O-CB 3.41Å; D444-N447 PolarHBondContact O-N 2.75Å; T445-N447 VanDerWaalsContact C-N 3.35Å; N447-M450 WeakPolarHBondContact O-CB 3.46Å; N447-M450 PolarHBondContact O-N 3.47Å; N447-M450 VanDerWaalsContact O-N 3.13Å; N447-V451 PolarHBondContact O-N 2.71Å; N447-V451 VanDerWaalsContact O-N 3.12Å; N447-K491 WeakPolarHBondContact OD1-CE 3.43Å; N447-K491 PolarHBondContact OD1-NZ 2.71Å
448	Q	94.8	Very high	93.5	Very high	52 Å²	52	51 Å²	51	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-41.7	175.6	-69	174.1	42.3	0	0	112.1	L371 D444 T445 L446 M450 V451 V452	L371-Q448 HydrophobicContact CD1-CB 3.86Å; L371-Q448 HydrophobicContact CD2-CB 3.92Å; L371-Q448 WeakPolarHBondContact CD2-O 3.4Å; D444-Q448 WeakPolarHBondContact O-CG 3.39Å; D444-Q448 PolarHBondContact O-N 3.3Å; T445-Q448 WeakPolarHBondContact O-CB 3.36Å; T445-Q448 PolarHBondContact O-N 2.97Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.48Å; Q448-M450 PolarHBondContact O-N 3.43Å; Q448-V451 WeakPolarHBondContact O-CB 3.18Å; Q448-V451 PolarHBondContact O-N 3.11Å; Q448-V451 VanDerWaalsContact O-N 3.07Å; Q448-V452 PolarHBondContact O-N 3.19Å
449	V	95	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55	-42.4	171.6	166.4	0	0	0	0	110.9	L422 Y425 C426 L429 T445 L446 V451 V452 F453 M488	L422-V449 HydrophobicContact CD1-CG1 3.88Å; L422-V449 HydrophobicContact CG-CG1 4.2Å; Y425-V449 HydrophobicContact CD1-CG2 3.83Å; Y425-V449 HydrophobicContact CE1-CG2 3.9Å; C426-V449 WeakPolarHBondContact SG-CG1 3.32Å; L429-V449 HydrophobicContact CD1-CG2 4.28Å; T445-V449 WeakPolarHBondContact O-CG2 3.19Å; T445-V449 PolarHBondContact O-N 3.27Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.28Å; V449-V451 VanDerWaalsContact C-N 3.28Å; V449-V451 PolarHBondContact O-N 3.15Å; V449-V452 PolarHBondContact O-N 2.98Å; V449-V452 VanDerWaalsContact O-N 3.15Å; V449-F453 WeakPolarHBondContact O-CB 3.24Å; V449-F453 PolarHBondContact O-N 3.24Å; V449-M488 HydrophobicContact CG1-CE 4.22Å
450	M	95.6	Very high	93.8	Very high	28 Å²	28	40 Å²	40	14%	0.138	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-28.7	179.5	-68.4	-55.1	-57.9	0	0	113.2	L446 N447 Q448 F453 K454 M488 K491 L492 A495	L446-M450 WeakPolarHBondContact O-CG 3.16Å; L446-M450 PolarHBondContact O-N 3.07Å; N447-M450 WeakPolarHBondContact O-CB 3.46Å; N447-M450 PolarHBondContact O-N 3.47Å; N447-M450 VanDerWaalsContact O-N 3.13Å; Q448-M450 PolarHBondContact O-N 3.43Å; M450-F453 HydrophobicContact CE-CB 4.32Å; M450-F453 HydrophobicContact CE-CD1 3.51Å; M450-F453 HydrophobicContact CE-CE1 4.12Å; M450-F453 HydrophobicContact CE-CG 4.13Å; M450-F453 PolarHBondContact O-N 3.15Å; M450-F453 HydrophobicContact SD-CB 4.31Å; M450-F453 HydrophobicContact SD-CD1 4.36Å; M450-F453 HydrophobicContact SD-CG 4.41Å; M450-K454 PolarHBondContact O-N 3.07Å; M450-M488 HydrophobicContact SD-CE 3.78Å; M450-M488 HydrophobicContact SD-SD 4.26Å; M450-K491 HydrophobicContact CE-CB 4.3Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 3.99Å; M450-K491 HydrophobicContact SD-CB 4.15Å; M450-L492 HydrophobicContact CE-CD2 4.21Å; M450-L492 HydrophobicContact SD-CD2 4.08Å; M450-A495 HydrophobicContact CE-CB 3.91Å
451	V	94.8	Very high	93.9	Very high	50 Å²	50	36.7 Å²	36.7	30%	0.303	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-47.4	170.2	175.7	0	0	0	0	110.4	H374 N447 Q448 V449 F453 K454 Y455	H374-V451 VanDerWaalsContact CE1-CG1 3.48Å; H374-V451 WeakPolarHBondContact CE1-CG1 3.34Å; N447-V451 PolarHBondContact O-N 2.71Å; N447-V451 VanDerWaalsContact O-N 3.12Å; Q448-V451 WeakPolarHBondContact O-CB 3.18Å; Q448-V451 PolarHBondContact O-N 3.11Å; Q448-V451 VanDerWaalsContact O-N 3.07Å; V449-V451 VanDerWaalsContact C-N 3.28Å; V449-V451 PolarHBondContact O-N 3.15Å; V451-F453 VanDerWaalsContact C-N 3.35Å; V451-F453 PolarHBondContact O-N 2.78Å; V451-K454 WeakPolarHBondContact O-CB 3.45Å; V451-K454 PolarHBondContact O-N 3.39Å; V451-Y455 HydrophobicContact CG1-CE2 4.14Å; V451-Y455 WeakPolarHBondContact O-CD2 3.31Å; V451-Y455 VanDerWaalsContact O-CE2 3.29Å; V451-Y455 WeakPolarHBondContact O-CE2 3.49Å
452	V	95.6	Very high	94	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-41	176.2	-176.6	0	0	0	0	111	V367 V370 L371 I403 L422 Q448 V449 K454 Y455	V367-V452 HydrophobicContact CG1-CG2 4.41Å; V370-V452 HydrophobicContact CG1-CG1 4Å; V370-V452 HydrophobicContact CG1-CG2 4Å; L371-V452 HydrophobicContact CD2-CG2 3.57Å; L371-V452 HydrophobicContact CG-CG2 3.8Å; I403-V452 HydrophobicContact CD1-CG1 4.4Å; L422-V452 HydrophobicContact CD1-CB 4.1Å; L422-V452 HydrophobicContact CD1-CG1 4.07Å; L422-V452 HydrophobicContact CD2-CB 4.41Å; L422-V452 HydrophobicContact CD2-CG1 4.22Å; Q448-V452 PolarHBondContact O-N 3.19Å; V449-V452 PolarHBondContact O-N 2.98Å; V449-V452 VanDerWaalsContact O-N 3.15Å; V452-K454 VanDerWaalsContact C-N 3.26Å; V452-K454 PolarHBondContact O-N 2.7Å; V452-Y455 PolarHBondContact O-N 2.8Å
453	F	95.9	Very high	94	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-34.7	179.2	-178	-99.1	0	0	0	113.1	L422 V449 M450 V451 Y455 I456 K459 F462 L492 A495 C496 Y500	L422-F453 HydrophobicContact CD2-CB 3.99Å; L422-F453 HydrophobicContact CD2-CD2 4.26Å; V449-F453 WeakPolarHBondContact O-CB 3.24Å; V449-F453 PolarHBondContact O-N 3.24Å; M450-F453 HydrophobicContact CE-CB 4.32Å; M450-F453 HydrophobicContact CE-CD1 3.51Å; M450-F453 HydrophobicContact CE-CE1 4.12Å; M450-F453 HydrophobicContact CE-CG 4.13Å; M450-F453 PolarHBondContact O-N 3.15Å; M450-F453 HydrophobicContact SD-CB 4.31Å; M450-F453 HydrophobicContact SD-CD1 4.36Å; M450-F453 HydrophobicContact SD-CG 4.41Å; V451-F453 VanDerWaalsContact C-N 3.35Å; V451-F453 PolarHBondContact O-N 2.78Å; F453-Y455 PolarHBondContact O-N 3.21Å; F453-I456 WeakPolarHBondContact O-CB 3.36Å; F453-I456 PolarHBondContact O-N 3.3Å; F453-I456 VanDerWaalsContact O-N 3.15Å; F453-K459 HydrophobicContact CE1-CD 3.91Å; F453-K459 HydrophobicContact CE1-CG 4.49Å; F453-K459 HydrophobicContact CE2-CB 4.24Å; F453-K459 HydrophobicContact CE2-CD 4.44Å; F453-K459 HydrophobicContact CE2-CG 4.17Å; F453-K459 HydrophobicContact CZ-CB 4.03Å; F453-K459 HydrophobicContact CZ-CD 3.73Å; F453-K459 HydrophobicContact CZ-CG 3.91Å; F453-F462 HydrophobicContact CD2-CD1 4.06Å; F453-F462 HydrophobicContact CD2-CD2 4.25Å; F453-F462 HydrophobicContact CD2-CE1 4.33Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.03Å; F453-F462 HydrophobicContact CE2-CB 4.11Å; F453-F462 AromaticContact CE2-CD1 3.55Å; F453-F462 HydrophobicContact CE2-CD1 3.55Å; F453-F462 HydrophobicContact CE2-CD2 4.45Å; F453-F462 HydrophobicContact CE2-CE1 4.08Å; F453-F462 AromaticContact CE2-CG 3.77Å; F453-F462 HydrophobicContact CE2-CG 3.77Å; F453-F462 HydrophobicContact CZ-CD1 4.5Å; F453-L492 HydrophobicContact CE1-CD2 4.15Å; F453-L492 HydrophobicContact CE2-CD2 4.18Å; F453-L492 HydrophobicContact CZ-CD2 3.95Å; F453-A495 HydrophobicContact CD1-CB 4.37Å; F453-A495 HydrophobicContact CE1-CB 4.01Å; F453-C496 VanDerWaalsContact CE1-SG 3.57Å; F453-C496 VanDerWaalsContact CZ-SG 3.58Å; F453-Y500 HydrophobicContact CZ-CE1 4.46Å
454	K	94.1	Very high	93.9	Very high	116 Å²	116	32.4 Å²	32.4	50%	0.504	16%	0.159	S	C	.	.	H	α-helix	trans	-51.8	-40.9	174.7	-178.4	-169.7	168.7	-163.2	0	111.5	D396 M450 V451 V452	D396-K454 IonicContact OD1-NZ 2.86Å; D396-K454 PolarHBondContact OD1-NZ 3.46Å; D396-K454 IonicContact OD2-NZ 2.88Å; D396-K454 PolarHBondContact OD2-NZ 3.26Å; M450-K454 PolarHBondContact O-N 3.07Å; V451-K454 WeakPolarHBondContact O-CB 3.45Å; V451-K454 PolarHBondContact O-N 3.39Å; V452-K454 VanDerWaalsContact C-N 3.26Å; V452-K454 PolarHBondContact O-N 2.7Å
455	Y	94.5	Very high	93.8	Very high	22 Å²	22	27.9 Å²	27.9	9%	0.086	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.3	-174.7	-58.1	-63.3	0	0	0	114.3	H374 D396 C399 I403 N404 V451 V452 F453 E457	H374-Y455 AromaticContact CD2-CE2 3.73Å; H374-Y455 PolarHBondContact NE2-OH 3.31Å; D396-Y455 HydrophobicContact CB-CE1 4.03Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.45Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.28Å; D396-Y455 PolarHBondContact OD1-OH 3.49Å; C399-Y455 HydrophobicContact CB-CD1 3.82Å; C399-Y455 HydrophobicContact CB-CD2 4.01Å; C399-Y455 HydrophobicContact CB-CE1 3.87Å; C399-Y455 HydrophobicContact CB-CE2 4.05Å; C399-Y455 HydrophobicContact CB-CG 3.91Å; I403-Y455 HydrophobicContact CD1-CD2 3.85Å; I403-Y455 HydrophobicContact CD1-CG 3.98Å; N404-Y455 PolarHBondContact ND2-O 3.37Å; V451-Y455 HydrophobicContact CG1-CE2 4.14Å; V451-Y455 WeakPolarHBondContact O-CD2 3.31Å; V451-Y455 VanDerWaalsContact O-CE2 3.29Å; V451-Y455 WeakPolarHBondContact O-CE2 3.49Å; V452-Y455 PolarHBondContact O-N 2.8Å; F453-Y455 PolarHBondContact O-N 3.21Å; Y455-E457 PolarHBondContact O-N 3.23Å
456	I	93.6	Very high	93.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.127	C	C	.	.			trans	-72.5	125.8	178.7	-63.3	-67	0	0	0	110.2	I403 P419 L422 F453 K459	I403-I456 HydrophobicContact CG2-CD1 3.65Å; P419-I456 HydrophobicContact CB-CG2 3.82Å; P419-I456 HydrophobicContact CG-CG2 3.91Å; L422-I456 HydrophobicContact CD2-CG1 4.05Å; F453-I456 WeakPolarHBondContact O-CB 3.36Å; F453-I456 PolarHBondContact O-N 3.3Å; F453-I456 VanDerWaalsContact O-N 3.15Å; I456-K459 HydrophobicContact CB-CG 4.49Å; I456-K459 HydrophobicContact CG2-CG 4.25Å; I456-K459 WeakPolarHBondContact O-CG 3.42Å; I456-K459 PolarHBondContact O-NZ 3.06Å
457	E	90.5	Very high	93.9	Very high	76 Å²	76	27.4 Å²	27.4	36%	0.355	13%	0.133	S	C	.	.	S	Bend	trans	-74.7	-51.5	173	-73.4	-173.3	158.8	0	0	110.9	N404 Y455 K459 F742 K743	N404-E457 HydrophobicContact CB-CG 4.49Å; N404-E457 PolarHBondContact OD1-N 2.79Å; Y455-E457 PolarHBondContact O-N 3.23Å; E457-K459 PolarHBondContact O-N 3.38Å; E457-K459 VanDerWaalsContact O-N 3.09Å; E457-F742 WeakPolarHBondContact O-CA 3.43Å; E457-K743 IonicContact OE1-NZ 3.48Å; E457-K743 PolarHBondContact OE1-NZ 3.44Å; E457-K743 WeakPolarHBondContact OE2-CD 3.28Å; E457-K743 IonicContact OE2-NZ 2.73Å; E457-K743 PolarHBondContact OE2-NZ 3.39Å
458	D	91.1	Very high	93.7	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.043	12%	0.123	C	C	.	.			trans	-86.7	65.8	-176.2	-69.9	-39.7	0	0	0	112.2	S415 P419 D460 V461 R707	S415-D458 PolarHBondContact OG-OD2 3.47Å; P419-D458 HydrophobicContact CG-CB 4.19Å; D458-D460 VanDerWaalsContact C-N 3.3Å; D458-D460 PolarHBondContact O-N 3Å; D458-V461 HydrophobicContact CB-CB 4.41Å; D458-V461 HydrophobicContact CB-CG2 3.87Å; D458-V461 WeakPolarHBondContact O-CB 3.4Å; D458-V461 PolarHBondContact O-N 3.38Å; D458-R707 IonicContact OD1-CZ 2.93Å; D458-R707 IonicContact OD1-NH2 2.79Å; D458-R707 PolarHBondContact OD1-NH2 3.34Å; D458-R707 IonicContact OD2-NH2 3.4Å
459	K	93.3	Very high	93.6	Very high	32 Å²	32	24.1 Å²	24.1	14%	0.139	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-32.4	-178.2	-61.8	-175.9	176.9	64	0	112.4	F453 I456 E457 V461 F462 Q463 Y500 R741	F453-K459 HydrophobicContact CE1-CD 3.91Å; F453-K459 HydrophobicContact CE1-CG 4.49Å; F453-K459 HydrophobicContact CE2-CB 4.24Å; F453-K459 HydrophobicContact CE2-CD 4.44Å; F453-K459 HydrophobicContact CE2-CG 4.17Å; F453-K459 HydrophobicContact CZ-CB 4.03Å; F453-K459 HydrophobicContact CZ-CD 3.73Å; F453-K459 HydrophobicContact CZ-CG 3.91Å; I456-K459 HydrophobicContact CB-CG 4.49Å; I456-K459 HydrophobicContact CG2-CG 4.25Å; I456-K459 WeakPolarHBondContact O-CG 3.42Å; I456-K459 PolarHBondContact O-NZ 3.06Å; E457-K459 PolarHBondContact O-N 3.38Å; E457-K459 VanDerWaalsContact O-N 3.09Å; K459-V461 VanDerWaalsContact C-N 3.25Å; K459-V461 PolarHBondContact O-N 3.5Å; K459-F462 WeakPolarHBondContact O-CB 3.37Å; K459-F462 PolarHBondContact O-N 3.16Å; K459-F462 VanDerWaalsContact O-N 3.08Å; K459-Q463 PolarHBondContact O-N 3.27Å; K459-Y500 HydrophobicContact CB-CE2 4.26Å; K459-Y500 PolarHBondContact O-OH 2.92Å; K459-R741 WeakPolarHBondContact CA-O 3.48Å; K459-R741 WeakPolarHBondContact CB-O 3.29Å; K459-R741 PolarHBondContact N-O 3.48Å
460	D	92.1	Very high	93.6	Very high	14 Å²	14	24.1 Å²	24.1	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-57.5	-34.9	174.9	66.6	-24.5	0	0	0	113.7	D458 Q463 K464 R707 R741 F742	D458-D460 VanDerWaalsContact C-N 3.3Å; D458-D460 PolarHBondContact O-N 3Å; D460-Q463 WeakPolarHBondContact O-CB 3.4Å; D460-Q463 PolarHBondContact O-N 2.87Å; D460-K464 PolarHBondContact O-N 3.42Å; D460-R707 IonicContact OD1-CZ 2.86Å; D460-R707 IonicContact OD1-NE 2.72Å; D460-R707 IonicContact OD1-NH2 2.99Å; D460-R707 PolarHBondContact OD1-NH2 3.37Å; D460-R707 WeakPolarHBondContact OD2-CG 3.26Å; D460-R707 IonicContact OD2-CZ 2.78Å; D460-R707 IonicContact OD2-NE 3.25Å; D460-R707 PolarHBondContact OD2-NE 3.15Å; D460-R707 IonicContact OD2-NH2 3.05Å; D460-R707 PolarHBondContact OD2-NH2 2.94Å; D460-R741 PolarHBondContact N-O 2.64Å; D460-F742 HydrophobicContact CB-CD1 4.48Å; D460-F742 WeakPolarHBondContact OD1-CB 3.36Å
461	V	93.7	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-51.7	172.3	176.2	0	0	0	0	109.8	P419 D458 K459 Q463 K464 F465 I703	P419-V461 HydrophobicContact CB-CB 4.07Å; P419-V461 HydrophobicContact CB-CG1 4.06Å; P419-V461 HydrophobicContact CG-CB 4.01Å; P419-V461 HydrophobicContact CG-CG1 4.06Å; D458-V461 HydrophobicContact CB-CB 4.41Å; D458-V461 HydrophobicContact CB-CG2 3.87Å; D458-V461 WeakPolarHBondContact O-CB 3.4Å; D458-V461 PolarHBondContact O-N 3.38Å; K459-V461 VanDerWaalsContact C-N 3.25Å; K459-V461 PolarHBondContact O-N 3.5Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 3.35Å; V461-K464 PolarHBondContact O-N 2.92Å; V461-F465 HydrophobicContact CG1-CD2 3.76Å; V461-F465 HydrophobicContact CG1-CE2 3.85Å; V461-F465 VanDerWaalsContact O-CD2 3.31Å; V461-F465 WeakPolarHBondContact O-CD2 3.43Å; V461-F465 PolarHBondContact O-N 3.48Å; V461-F465 VanDerWaalsContact O-N 3.1Å; V461-I703 HydrophobicContact CB-CD1 4.38Å; V461-I703 HydrophobicContact CG1-CD1 4.3Å; V461-I703 HydrophobicContact CG2-CD1 4.25Å; V461-I703 HydrophobicContact CG2-CG2 4.16Å
462	F	94.9	Very high	93.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-47.3	175.7	174.7	-82.6	0	0	0	110.3	P419 L422 A423 F453 K459 K464 F465 Y466 M488 L492	P419-F462 HydrophobicContact CB-CB 3.9Å; L422-F462 HydrophobicContact CB-CD2 4.12Å; L422-F462 HydrophobicContact CB-CE2 4.29Å; L422-F462 HydrophobicContact CD2-CD2 4.11Å; L422-F462 HydrophobicContact CD2-CE2 4.17Å; L422-F462 HydrophobicContact CG-CD2 4.12Å; L422-F462 HydrophobicContact CG-CE2 3.93Å; A423-F462 VanDerWaalsContact CA-CE2 3.5Å; A423-F462 HydrophobicContact CB-CD2 3.69Å; A423-F462 HydrophobicContact CB-CE2 3.89Å; A423-F462 HydrophobicContact CB-CG 4.31Å; F453-F462 HydrophobicContact CD2-CD1 4.06Å; F453-F462 HydrophobicContact CD2-CD2 4.25Å; F453-F462 HydrophobicContact CD2-CE1 4.33Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.03Å; F453-F462 HydrophobicContact CE2-CB 4.11Å; F453-F462 AromaticContact CE2-CD1 3.55Å; F453-F462 HydrophobicContact CE2-CD1 3.55Å; F453-F462 HydrophobicContact CE2-CD2 4.45Å; F453-F462 HydrophobicContact CE2-CE1 4.08Å; F453-F462 AromaticContact CE2-CG 3.77Å; F453-F462 HydrophobicContact CE2-CG 3.77Å; F453-F462 HydrophobicContact CZ-CD1 4.5Å; K459-F462 WeakPolarHBondContact O-CB 3.37Å; K459-F462 PolarHBondContact O-N 3.16Å; K459-F462 VanDerWaalsContact O-N 3.08Å; F462-K464 VanDerWaalsContact C-N 3.34Å; F462-K464 PolarHBondContact O-N 3.41Å; F462-F465 PolarHBondContact O-N 3.14Å; F462-Y466 AromaticContact CE1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CG 4.01Å; F462-Y466 AromaticContact CZ-CD2 3.71Å; F462-Y466 HydrophobicContact CZ-CD2 3.71Å; F462-Y466 HydrophobicContact CZ-CE2 4.41Å; F462-Y466 HydrophobicContact CZ-CG 4.25Å; F462-Y466 WeakPolarHBondContact O-CB 3.36Å; F462-Y466 PolarHBondContact O-N 3.28Å; F462-M488 HydrophobicContact CZ-CE 3.99Å; F462-L492 HydrophobicContact CD1-CD2 4.4Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.69Å; F462-L492 HydrophobicContact CZ-CD2 4.39Å
463	Q	93.3	Very high	93.1	Very high	34 Å²	34	23.5 Å²	23.5	16%	0.159	11%	0.108	C	C	.	.	H	α-helix	trans	-54.8	-47.8	179.3	-161	-168.1	-8.3	0	0	112	K459 D460 V461 Y466 A467 Y500	K459-Q463 PolarHBondContact O-N 3.27Å; D460-Q463 WeakPolarHBondContact O-CB 3.4Å; D460-Q463 PolarHBondContact O-N 2.87Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 3.35Å; Q463-Y466 PolarHBondContact O-N 3.48Å; Q463-A467 WeakPolarHBondContact O-CB 3.38Å; Q463-A467 PolarHBondContact O-N 3.18Å; Q463-Y500 HydrophobicContact CB-CE1 4.18Å; Q463-Y500 HydrophobicContact CB-CE2 3.74Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.41Å; Q463-Y500 HydrophobicContact CG-CD1 4.29Å; Q463-Y500 HydrophobicContact CG-CD2 4.27Å; Q463-Y500 HydrophobicContact CG-CE1 3.87Å; Q463-Y500 HydrophobicContact CG-CE2 3.85Å; Q463-Y500 HydrophobicContact CG-CG 4.49Å; Q463-Y500 PolarHBondContact NE2-O 3.18Å
464	K	91.9	Very high	93	Very high	55 Å²	55	23.9 Å²	23.9	24%	0.239	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-45.3	-175.3	-162.1	81.8	170.6	-163.4	0	111.5	D460 V461 F462 K468 T699 I703 D706	D460-K464 PolarHBondContact O-N 3.42Å; V461-K464 PolarHBondContact O-N 2.92Å; F462-K464 VanDerWaalsContact C-N 3.34Å; F462-K464 PolarHBondContact O-N 3.41Å; K464-K468 WeakPolarHBondContact O-CB 3.42Å; K464-K468 PolarHBondContact O-N 3.39Å; K464-K468 VanDerWaalsContact O-N 3.12Å; K464-T699 HydrophobicContact CB-CG2 4.32Å; K464-T699 HydrophobicContact CG-CG2 3.69Å; K464-I703 HydrophobicContact CB-CD1 3.89Å; K464-I703 HydrophobicContact CB-CG1 3.79Å; K464-I703 HydrophobicContact CD-CG1 4.41Å; K464-I703 HydrophobicContact CG-CD1 4.17Å; K464-I703 HydrophobicContact CG-CG1 3.79Å; K464-D706 IonicContact NZ-OD2 3.64Å; K464-D706 PolarHBondContact NZ-OD2 3.42Å
465	F	92.7	Very high	92.8	Very high	2 Å²	2	19 Å²	19	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-65	-43.9	175.8	-81.3	-75.4	0	0	0	111.6	E420 A423 V461 F462 K468 M469 Q696 T699 H700 I703	E420-F465 HydrophobicContact CB-CD2 4.1Å; E420-F465 HydrophobicContact CB-CE2 4.1Å; E420-F465 HydrophobicContact CG-CD1 3.95Å; E420-F465 HydrophobicContact CG-CD2 3.93Å; E420-F465 HydrophobicContact CG-CE1 3.85Å; E420-F465 HydrophobicContact CG-CE2 3.83Å; E420-F465 HydrophobicContact CG-CG 4Å; E420-F465 HydrophobicContact CG-CZ 3.8Å; A423-F465 HydrophobicContact CB-CB 3.78Å; V461-F465 HydrophobicContact CG1-CD2 3.76Å; V461-F465 HydrophobicContact CG1-CE2 3.85Å; V461-F465 VanDerWaalsContact O-CD2 3.31Å; V461-F465 WeakPolarHBondContact O-CD2 3.43Å; V461-F465 PolarHBondContact O-N 3.48Å; V461-F465 VanDerWaalsContact O-N 3.1Å; F462-F465 PolarHBondContact O-N 3.14Å; F465-K468 PolarHBondContact O-N 2.87Å; F465-M469 HydrophobicContact CD1-CE 4.38Å; F465-M469 WeakPolarHBondContact O-CB 3.3Å; F465-M469 WeakPolarHBondContact O-CG 3.33Å; F465-M469 PolarHBondContact O-N 3.27Å; F465-Q696 HydrophobicContact CE1-CG 4.21Å; F465-Q696 HydrophobicContact CZ-CG 4.27Å; F465-T699 HydrophobicContact CD1-CG2 4.24Å; F465-T699 HydrophobicContact CD2-CG2 4.36Å; F465-T699 HydrophobicContact CE1-CG2 3.96Å; F465-T699 HydrophobicContact CE2-CG2 4.09Å; F465-T699 HydrophobicContact CG-CG2 4.42Å; F465-T699 HydrophobicContact CZ-CG2 3.87Å; F465-H700 AromaticContact CE2-CE1 3.71Å; F465-H700 AromaticContact CE2-NE2 3.82Å; F465-H700 AromaticContact CZ-CD2 3.9Å; F465-H700 AromaticContact CZ-CE1 3.86Å; F465-H700 AromaticContact CZ-NE2 3.47Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.47Å; F465-I703 HydrophobicContact CE2-CD1 4.21Å
466	Y	94.8	Very high	92.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-47.8	177	-171.8	-85.9	0	0	0	111.6	C426 L430 F462 Q463 K468 M469 L470 M488 L492 L504	C426-Y466 HydrophobicContact CB-CD2 4.17Å; C426-Y466 HydrophobicContact CB-CE2 3.94Å; L430-Y466 HydrophobicContact CD1-CE2 4.19Å; L430-Y466 VanDerWaalsContact CD1-OH 3.3Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.14Å; F462-Y466 AromaticContact CE1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CG 4.01Å; F462-Y466 AromaticContact CZ-CD2 3.71Å; F462-Y466 HydrophobicContact CZ-CD2 3.71Å; F462-Y466 HydrophobicContact CZ-CE2 4.41Å; F462-Y466 HydrophobicContact CZ-CG 4.25Å; F462-Y466 WeakPolarHBondContact O-CB 3.36Å; F462-Y466 PolarHBondContact O-N 3.28Å; Q463-Y466 PolarHBondContact O-N 3.48Å; Y466-K468 VanDerWaalsContact C-N 3.29Å; Y466-K468 PolarHBondContact O-N 2.91Å; Y466-M469 PolarHBondContact O-N 3.35Å; Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.31Å; Y466-L470 HydrophobicContact CE1-CD2 4.3Å; Y466-L470 VanDerWaalsContact O-CB 3.28Å; Y466-L470 WeakPolarHBondContact O-CB 3.32Å; Y466-L470 PolarHBondContact O-N 3.32Å; Y466-M488 HydrophobicContact CE2-CE 4.44Å; Y466-M488 HydrophobicContact CE2-CG 4.06Å; Y466-M488 VanDerWaalsContact OH-CG 3.23Å; Y466-M488 WeakPolarHBondContact OH-CG 3.47Å; Y466-L492 HydrophobicContact CD1-CD1 4.32Å; Y466-L492 HydrophobicContact CE1-CD1 4.22Å; Y466-L504 HydrophobicContact CD1-CD1 4Å; Y466-L504 HydrophobicContact CD1-CD2 4.26Å; Y466-L504 HydrophobicContact CE1-CD1 4.18Å
467	A	93.6	Very high	92.2	Very high	16 Å²	16	27.5 Å²	27.5	13%	0.132	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-42.7	178.2	0	0	0	0	0	111.9	Q463 A471 L504	Q463-A467 WeakPolarHBondContact O-CB 3.38Å; Q463-A467 PolarHBondContact O-N 3.18Å; A467-A471 VanDerWaalsContact O-CB 3.3Å; A467-A471 WeakPolarHBondContact O-CB 3.39Å; A467-A471 PolarHBondContact O-N 3.48Å; A467-L504 HydrophobicContact CB-CD2 3.58Å
468	K	91.3	Very high	92.2	Very high	25 Å²	25	26.2 Å²	26.2	11%	0.109	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-43.8	177.7	-177.6	-176	175.7	-169	0	112.6	K464 F465 Y466 A471 K472 P546 E695 T699	K464-K468 WeakPolarHBondContact O-CB 3.42Å; K464-K468 PolarHBondContact O-N 3.39Å; K464-K468 VanDerWaalsContact O-N 3.12Å; F465-K468 PolarHBondContact O-N 2.87Å; Y466-K468 VanDerWaalsContact C-N 3.29Å; Y466-K468 PolarHBondContact O-N 2.91Å; K468-A471 WeakPolarHBondContact O-CB 3.46Å; K468-A471 PolarHBondContact O-N 2.9Å; K468-K472 PolarHBondContact O-N 3.06Å; K468-K472 VanDerWaalsContact O-N 3.14Å; K468-P546 HydrophobicContact CB-CG 4.39Å; K468-E695 WeakPolarHBondContact CE-OE1 3.28Å; K468-E695 WeakPolarHBondContact CE-OE2 3.36Å; K468-E695 VanDerWaalsContact NZ-C 3.32Å; K468-E695 PolarHBondContact NZ-O 3.31Å; K468-E695 IonicContact NZ-OE1 3.7Å; K468-E695 IonicContact NZ-OE2 2.76Å; K468-E695 PolarHBondContact NZ-OE2 3.46Å; K468-E695 VanDerWaalsContact NZ-OE2 3.08Å; K468-T699 PolarHBondContact NZ-OG1 3.14Å
469	M	92.7	Very high	92.2	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.103	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-43.5	177.4	-73.5	169.4	-173.4	0	0	111.6	R424 D427 F465 Y466 A471 K472 R473	R424-M469 HydrophobicContact CB-CE 4.42Å; R424-M469 HydrophobicContact CG-CE 3.41Å; R424-M469 VanDerWaalsContact CG-CE 3.41Å; R424-M469 HydrophobicContact CG-SD 4.22Å; D427-M469 HydrophobicContact CB-CB 4.02Å; D427-M469 HydrophobicContact CB-CG 4.16Å; D427-M469 HydrophobicContact CB-SD 3.59Å; D427-M469 VanDerWaalsContact CB-SD 3.59Å; D427-M469 WeakPolarHBondContact OD1-CB 3.34Å; F465-M469 HydrophobicContact CD1-CE 4.38Å; F465-M469 WeakPolarHBondContact O-CB 3.3Å; F465-M469 WeakPolarHBondContact O-CG 3.33Å; F465-M469 PolarHBondContact O-N 3.27Å; Y466-M469 PolarHBondContact O-N 3.35Å; M469-A471 VanDerWaalsContact C-N 3.31Å; M469-A471 PolarHBondContact O-N 3.26Å; M469-K472 PolarHBondContact O-N 2.94Å; M469-R473 WeakPolarHBondContact O-CG 3.24Å; M469-R473 PolarHBondContact O-N 3.26Å
470	L	94.8	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-45.5	171.9	177.7	65.3	0	0	0	111	Y466 K472 R473 L474 E485 I489 L504 M507 F508	Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.31Å; Y466-L470 HydrophobicContact CE1-CD2 4.3Å; Y466-L470 VanDerWaalsContact O-CB 3.28Å; Y466-L470 WeakPolarHBondContact O-CB 3.32Å; Y466-L470 PolarHBondContact O-N 3.32Å; L470-K472 VanDerWaalsContact C-N 3.28Å; L470-K472 PolarHBondContact O-N 3.25Å; L470-R473 PolarHBondContact O-N 3.44Å; L470-R473 VanDerWaalsContact O-N 3.12Å; L470-L474 HydrophobicContact CD1-CD1 3.97Å; L470-L474 HydrophobicContact CD1-CD2 4.3Å; L470-L474 HydrophobicContact CD1-CG 3.83Å; L470-L474 HydrophobicContact CD2-CD1 4.37Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.12Å; L470-L474 WeakPolarHBondContact O-CB 3.39Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 2.95Å; L470-E485 VanDerWaalsContact CD1-OE2 3.31Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.49Å; L470-I489 HydrophobicContact CD2-CD1 4.22Å; L470-L504 HydrophobicContact CD2-CB 4.07Å; L470-L504 HydrophobicContact CD2-CD2 3.86Å; L470-L504 HydrophobicContact CD2-CG 4.49Å; L470-M507 HydrophobicContact CB-CE 4.35Å; L470-M507 HydrophobicContact CD2-CE 4.19Å; L470-M507 HydrophobicContact CG-CE 4.07Å; L470-F508 HydrophobicContact CD1-CE2 3.91Å
471	A	93.5	Very high	92	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-45.2	178.3	0	0	0	0	0	111.3	A467 K468 M469 V475 M507 W545 P546 F547	A467-A471 VanDerWaalsContact O-CB 3.3Å; A467-A471 WeakPolarHBondContact O-CB 3.39Å; A467-A471 PolarHBondContact O-N 3.48Å; K468-A471 WeakPolarHBondContact O-CB 3.46Å; K468-A471 PolarHBondContact O-N 2.9Å; M469-A471 VanDerWaalsContact C-N 3.31Å; M469-A471 PolarHBondContact O-N 3.26Å; A471-V475 WeakPolarHBondContact O-CB 3.32Å; A471-V475 WeakPolarHBondContact O-CG2 3.47Å; A471-V475 PolarHBondContact O-N 3.09Å; A471-M507 HydrophobicContact CB-CE 3.4Å; A471-M507 VanDerWaalsContact CB-CE 3.4Å; A471-W545 HydrophobicContact CB-CE3 3.78Å; A471-W545 HydrophobicContact CB-CZ3 3.88Å; A471-P546 HydrophobicContact CB-CG 3.75Å; A471-F547 HydrophobicContact CB-CE1 3.86Å; A471-F547 HydrophobicContact CB-CE2 4.44Å; A471-F547 HydrophobicContact CB-CZ 3.62Å
472	K	90.2	Very high	91.8	Very high	65 Å²	65	32.2 Å²	32.2	28%	0.283	17%	0.169	S	C	.	.	H	α-helix	trans	-63.7	-47	175.1	-71.6	-178.9	170.7	-173.1	0	111.3	K468 M469 L470 L474 H476 E695	K468-K472 PolarHBondContact O-N 3.06Å; K468-K472 VanDerWaalsContact O-N 3.14Å; M469-K472 PolarHBondContact O-N 2.94Å; L470-K472 VanDerWaalsContact C-N 3.28Å; L470-K472 PolarHBondContact O-N 3.25Å; K472-L474 PolarHBondContact O-N 3.49Å; K472-H476 WeakPolarHBondContact O-CB 3.47Å; K472-H476 PolarHBondContact O-N 3.47Å; K472-H476 PolarHBondContact O-ND1 2.89Å; K472-E695 WeakPolarHBondContact CE-OE1 3.3Å; K472-E695 IonicContact NZ-OE1 3.16Å; K472-E695 PolarHBondContact NZ-OE1 2.94Å; K472-E695 IonicContact NZ-OE2 2.63Å; K472-E695 PolarHBondContact NZ-OE2 2.92Å
473	R	92.9	Very high	91.7	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-44	179.7	-68.9	-167.2	-53.8	-90.5	6.3	112.2	D427 M469 L470 Q477 N478 E485	D427-R473 WeakPolarHBondContact OD1-CD 3.35Å; D427-R473 IonicContact OD1-CZ 3.53Å; D427-R473 IonicContact OD1-NE 3.05Å; D427-R473 IonicContact OD1-NH1 2.74Å; D427-R473 PolarHBondContact OD1-NH1 2.98Å; M469-R473 WeakPolarHBondContact O-CG 3.24Å; M469-R473 PolarHBondContact O-N 3.26Å; L470-R473 PolarHBondContact O-N 3.44Å; L470-R473 VanDerWaalsContact O-N 3.12Å; R473-Q477 WeakPolarHBondContact O-CA 3.17Å; R473-Q477 PolarHBondContact O-N 2.78Å; R473-N478 PolarHBondContact O-N 2.84Å; R473-E485 IonicContact CZ-OE1 3.63Å; R473-E485 IonicContact CZ-OE2 3.75Å; R473-E485 IonicContact NE-OE1 3.82Å; R473-E485 PolarHBondContact NE-OE1 3.23Å; R473-E485 IonicContact NE-OE2 3.54Å; R473-E485 IonicContact NH2-OE1 2.83Å; R473-E485 PolarHBondContact NH2-OE1 3.04Å; R473-E485 IonicContact NH2-OE2 3.76Å; R473-E485 PolarHBondContact NH2-OE2 2.81Å
474	L	93.3	Very high	91.7	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-49.9	178.7	-71.4	-178.4	0	0	0	112.3	L470 K472 H476 Q477 M507 F508 I511 W545	L470-L474 HydrophobicContact CD1-CD1 3.97Å; L470-L474 HydrophobicContact CD1-CD2 4.3Å; L470-L474 HydrophobicContact CD1-CG 3.83Å; L470-L474 HydrophobicContact CD2-CD1 4.37Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.12Å; L470-L474 WeakPolarHBondContact O-CB 3.39Å; L470-L474 WeakPolarHBondContact O-CG 3.4Å; L470-L474 PolarHBondContact O-N 2.95Å; K472-L474 PolarHBondContact O-N 3.49Å; L474-H476 VanDerWaalsContact C-N 3.32Å; L474-H476 PolarHBondContact O-N 3.43Å; L474-Q477 PolarHBondContact O-N 3.44Å; L474-M507 HydrophobicContact CD1-CB 3.92Å; L474-M507 HydrophobicContact CD1-CE 4.25Å; L474-F508 HydrophobicContact CD1-CD2 4.28Å; L474-F508 HydrophobicContact CD1-CE2 4.39Å; L474-F508 HydrophobicContact CD2-CE1 4.21Å; L474-F508 HydrophobicContact CD2-CE2 4.04Å; L474-F508 HydrophobicContact CD2-CZ 3.83Å; L474-I511 HydrophobicContact CB-CD1 4.2Å; L474-I511 HydrophobicContact CB-CG1 4Å; L474-I511 HydrophobicContact CD1-CG1 4.23Å; L474-I511 HydrophobicContact CD2-CG1 4.4Å; L474-I511 HydrophobicContact CG-CG1 4.44Å; L474-W545 HydrophobicContact CB-CH2 3.9Å; L474-W545 HydrophobicContact CB-CZ3 4.35Å; L474-W545 HydrophobicContact CD1-CH2 3.99Å
475	V	90.5	Very high	91.8	Very high	15 Å²	15	33.7 Å²	33.7	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-43.2	179.8	169.3	0	0	0	0	111.4	A471 Q477 Q538 L540 W545 F547	A471-V475 WeakPolarHBondContact O-CB 3.32Å; A471-V475 WeakPolarHBondContact O-CG2 3.47Å; A471-V475 PolarHBondContact O-N 3.09Å; V475-Q477 VanDerWaalsContact C-N 3.26Å; V475-Q477 PolarHBondContact O-N 3Å; V475-Q538 PolarHBondContact O-NE2 3.23Å; V475-Q538 VanDerWaalsContact O-NE2 3.17Å; V475-L540 HydrophobicContact CG2-CD1 3.98Å; V475-W545 HydrophobicContact CG2-CE3 4.44Å; V475-W545 HydrophobicContact CG2-CH2 4.26Å; V475-W545 HydrophobicContact CG2-CZ3 3.7Å; V475-F547 HydrophobicContact CG2-CE2 3.72Å; V475-F547 HydrophobicContact CG2-CZ 3.72Å
476	H	87.7	Confident	91.8	Very high	65 Å²	65	36 Å²	36	30%	0.301	20%	0.201	S	C	.	.	H	α-helix	trans	-81.2	-4.6	-178.1	-62.7	90.4	0	0	0	113.7	K472 L474 N478 K587	K472-H476 WeakPolarHBondContact O-CB 3.47Å; K472-H476 PolarHBondContact O-N 3.47Å; K472-H476 PolarHBondContact O-ND1 2.89Å; L474-H476 VanDerWaalsContact C-N 3.32Å; L474-H476 PolarHBondContact O-N 3.43Å; H476-N478 VanDerWaalsContact C-N 3.29Å; H476-N478 HydrophobicContact CB-CB 4.25Å; H476-N478 PolarHBondContact O-N 3.13Å; H476-K587 PolarHBondContact O-NZ 3.44Å
477	Q	88.4	Confident	91.8	Very high	136 Å²	136	37.3 Å²	37.3	64%	0.636	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	47.1	-173.6	-59.3	176.8	6.4	0	0	112	R473 L474 V475	R473-Q477 WeakPolarHBondContact O-CA 3.17Å; R473-Q477 PolarHBondContact O-N 2.78Å; L474-Q477 PolarHBondContact O-N 3.44Å; V475-Q477 VanDerWaalsContact C-N 3.26Å; V475-Q477 PolarHBondContact O-N 3Å
478	N	89.2	Confident	91.9	Very high	50 Å²	50	36.6 Å²	36.6	27%	0.267	20%	0.204	S	C	.	.			trans	-116.9	23.4	-172.6	-160.7	24	0	0	0	112.9	K431 K432 R473 H476	K431-N478 CarbonylContact C-O 3.55Å; K431-N478 WeakPolarHBondContact CA-O 3.35Å; K431-N478 WeakPolarHBondContact CE-ND2 3.35Å; K432-N478 WeakPolarHBondContact CB-OD1 3.42Å; K432-N478 PolarHBondContact N-O 3.3Å; R473-N478 PolarHBondContact O-N 2.84Å; H476-N478 VanDerWaalsContact C-N 3.29Å; H476-N478 HydrophobicContact CB-CB 4.25Å; H476-N478 PolarHBondContact O-N 3.13Å
479	S	91.7	Very high	92.1	Very high	17 Å²	17	35.7 Å²	35.7	12%	0.119	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-77.9	148	171.6	-65.7	0	0	0	0	110.5	L430 E485	L430-S479 CarbonylContact O-C 3.58Å; L430-S479 WeakPolarHBondContact O-CA 3.4Å; S479-E485 WeakPolarHBondContact CB-OE1 3.49Å; S479-E485 PolarHBondContact OG-OE1 3.21Å
480	A	90.3	Very high	92.2	Very high	37 Å²	37	37.4 Å²	37.4	31%	0.306	21%	0.214	S	C	.	.	S	Bend	trans	-66.9	-48.7	177.9	0	0	0	0	0	111.8	L430 N436	L430-A480 WeakPolarHBondContact O-CB 3.48Å; L430-A480 PolarHBondContact O-N 3.41Å; N436-A480 WeakPolarHBondContact ND2-CB 3.36Å
481	S	90.9	Very high	92.2	Very high	37 Å²	37	38.9 Å²	38.9	26%	0.259	22%	0.221	S	C	.	.			trans	-152.8	139.4	177.3	170.6	0	0	0	0	108.7	D483 E485	S481-D483 VanDerWaalsContact C-N 3.26Å; S481-D483 PolarHBondContact OG-N 2.94Å; S481-E485 WeakPolarHBondContact O-CG 3.48Å; S481-E485 PolarHBondContact O-N 3.33Å
482	D	90	Very high	92.3	Very high	88 Å²	88	39 Å²	39	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-33	174.3	-72.2	-11	0	0	0	110.6	E485 A486	D482-E485 PolarHBondContact O-N 3.26Å; D482-A486 WeakPolarHBondContact O-CB 3.44Å; D482-A486 PolarHBondContact O-N 3.47Å
483	D	92.2	Very high	92.4	Very high	114 Å²	114	40 Å²	40	61%	0.61	23%	0.225	S	C	*	.	H	α-helix	trans	-69.8	-40.4	178.6	-66.5	-34.2	0	0	0	111.8	S481 E485 A486 S487	S481-D483 VanDerWaalsContact C-N 3.26Å; S481-D483 PolarHBondContact OG-N 2.94Å; D483-E485 VanDerWaalsContact C-N 3.33Å; D483-E485 PolarHBondContact O-N 2.89Å; D483-A486 PolarHBondContact O-N 2.86Å; D483-S487 WeakPolarHBondContact O-CB 3.42Å; D483-S487 PolarHBondContact O-N 2.85Å
484	A	93.4	Very high	92.4	Very high	6 Å²	6	47.3 Å²	47.3	5%	0.05	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-39	176.4	0	0	0	0	0	112	L430 L442 S487 M488	L430-A484 HydrophobicContact CD2-CB 3.89Å; L442-A484 HydrophobicContact CD2-CB 3.82Å; A484-S487 PolarHBondContact O-N 3.49Å; A484-M488 PolarHBondContact O-N 3.27Å
485	E	93	Very high	92.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-42	175.7	-66.1	-88.2	-158.7	0	0	111.5	L470 R473 S479 S481 D482 D483 M488 I489 F508	L470-E485 VanDerWaalsContact CD1-OE2 3.31Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.49Å; R473-E485 IonicContact CZ-OE1 3.63Å; R473-E485 IonicContact CZ-OE2 3.75Å; R473-E485 IonicContact NE-OE1 3.82Å; R473-E485 PolarHBondContact NE-OE1 3.23Å; R473-E485 IonicContact NE-OE2 3.54Å; R473-E485 IonicContact NH2-OE1 2.83Å; R473-E485 PolarHBondContact NH2-OE1 3.04Å; R473-E485 IonicContact NH2-OE2 3.76Å; R473-E485 PolarHBondContact NH2-OE2 2.81Å; S479-E485 WeakPolarHBondContact CB-OE1 3.49Å; S479-E485 PolarHBondContact OG-OE1 3.21Å; S481-E485 WeakPolarHBondContact O-CG 3.48Å; S481-E485 PolarHBondContact O-N 3.33Å; D482-E485 PolarHBondContact O-N 3.26Å; D483-E485 VanDerWaalsContact C-N 3.33Å; D483-E485 PolarHBondContact O-N 2.89Å; E485-M488 PolarHBondContact O-N 2.72Å; E485-I489 WeakPolarHBondContact O-CG1 3.3Å; E485-I489 PolarHBondContact O-N 3.01Å; E485-F508 HydrophobicContact CB-CE1 4.37Å; E485-F508 HydrophobicContact CB-CE2 3.65Å; E485-F508 HydrophobicContact CB-CZ 3.27Å; E485-F508 HydrophobicContact CG-CE2 4.5Å; E485-F508 HydrophobicContact CG-CZ 4.01Å
486	A	93.6	Very high	92	Very high	51 Å²	51	50.2 Å²	50.2	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-42	175	0	0	0	0	0	111.9	D482 D483 I489 S490	D482-A486 WeakPolarHBondContact O-CB 3.44Å; D482-A486 PolarHBondContact O-N 3.47Å; D483-A486 PolarHBondContact O-N 2.86Å; A486-I489 PolarHBondContact O-N 3.5Å; A486-S490 WeakPolarHBondContact O-CB 3.46Å; A486-S490 PolarHBondContact O-N 3.46Å
487	S	94.9	Very high	92	Very high	28 Å²	28	48.6 Å²	48.6	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-56.9	-50.7	173.6	178.6	0	0	0	0	110.9	E443 D483 A484 I489 S490 K491	E443-S487 PolarHBondContact OE1-OG 2.74Å; E443-S487 PolarHBondContact OE2-OG 3.28Å; D483-S487 WeakPolarHBondContact O-CB 3.42Å; D483-S487 PolarHBondContact O-N 2.85Å; A484-S487 PolarHBondContact O-N 3.49Å; S487-I489 PolarHBondContact O-N 2.99Å; S487-S490 VanDerWaalsContact O-CB 3.32Å; S487-S490 WeakPolarHBondContact O-CB 3.28Å; S487-S490 PolarHBondContact O-N 3.32Å; S487-S490 VanDerWaalsContact O-N 3.08Å; S487-K491 WeakPolarHBondContact O-CG 3.38Å; S487-K491 PolarHBondContact O-N 2.9Å; S487-K491 WeakPolarHBondContact OG-CE 3.42Å
488	M	95.3	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-42.1	179.5	-173	58.6	-173.8	0	0	112.4	L430 L446 V449 M450 F462 Y466 A484 E485 S490 K491 L492	L430-M488 HydrophobicContact CD1-CB 4.23Å; L430-M488 HydrophobicContact CD1-CG 4.18Å; L446-M488 HydrophobicContact CD2-SD 4.03Å; V449-M488 HydrophobicContact CG1-CE 4.22Å; M450-M488 HydrophobicContact SD-CE 3.78Å; M450-M488 HydrophobicContact SD-SD 4.26Å; F462-M488 HydrophobicContact CZ-CE 3.99Å; Y466-M488 HydrophobicContact CE2-CE 4.44Å; Y466-M488 HydrophobicContact CE2-CG 4.06Å; Y466-M488 VanDerWaalsContact OH-CG 3.23Å; Y466-M488 WeakPolarHBondContact OH-CG 3.47Å; A484-M488 PolarHBondContact O-N 3.27Å; E485-M488 PolarHBondContact O-N 2.72Å; M488-S490 VanDerWaalsContact C-N 3.32Å; M488-S490 PolarHBondContact O-N 3.05Å; M488-K491 PolarHBondContact O-N 2.87Å; M488-L492 HydrophobicContact CE-CD1 4.33Å; M488-L492 HydrophobicContact CE-CD2 4.18Å; M488-L492 HydrophobicContact CE-CG 4.18Å; M488-L492 WeakPolarHBondContact O-CG 3.35Å; M488-L492 PolarHBondContact O-N 2.88Å
489	I	94.9	Very high	92	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-39.3	175.4	-66.6	168.6	0	0	0	111	L470 E485 A486 S487 L492 K493 T501 L504 Q505 F508	L470-I489 HydrophobicContact CD2-CD1 4.22Å; E485-I489 WeakPolarHBondContact O-CG1 3.3Å; E485-I489 PolarHBondContact O-N 3.01Å; A486-I489 PolarHBondContact O-N 3.5Å; S487-I489 PolarHBondContact O-N 2.99Å; I489-L492 PolarHBondContact O-N 2.99Å; I489-K493 WeakPolarHBondContact O-CB 3.4Å; I489-K493 PolarHBondContact O-N 3.2Å; I489-T501 HydrophobicContact CG2-CG2 4.39Å; I489-L504 HydrophobicContact CD1-CB 4.1Å; I489-L504 HydrophobicContact CG1-CB 4.23Å; I489-L504 HydrophobicContact CG2-CB 4.47Å; I489-Q505 HydrophobicContact CG2-CG 3.65Å; I489-F508 HydrophobicContact CD1-CD2 3.41Å; I489-F508 VanDerWaalsContact CD1-CD2 3.41Å; I489-F508 HydrophobicContact CD1-CE2 3.6Å; I489-F508 HydrophobicContact CD1-CG 4.5Å
490	S	95.4	Very high	91.8	Very high	56 Å²	56	50.1 Å²	50.1	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-44.8	175.9	-169.9	0	0	0	0	111.8	A486 S487 M488 L492 K493 Q494	A486-S490 WeakPolarHBondContact O-CB 3.46Å; A486-S490 PolarHBondContact O-N 3.46Å; S487-S490 VanDerWaalsContact O-CB 3.32Å; S487-S490 WeakPolarHBondContact O-CB 3.28Å; S487-S490 PolarHBondContact O-N 3.32Å; S487-S490 VanDerWaalsContact O-N 3.08Å; M488-S490 VanDerWaalsContact C-N 3.32Å; M488-S490 PolarHBondContact O-N 3.05Å; S490-L492 PolarHBondContact O-N 3.45Å; S490-K493 WeakPolarHBondContact O-CB 3.11Å; S490-K493 PolarHBondContact O-N 3.15Å; S490-K493 VanDerWaalsContact O-N 3.15Å; S490-Q494 WeakPolarHBondContact O-CG 3.19Å; S490-Q494 PolarHBondContact O-N 2.93Å
491	K	94.9	Very high	91.9	Very high	32 Å²	32	48.3 Å²	48.3	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-43.7	175.9	-65.6	177.6	-164.3	-63.1	0	112.2	E443 N447 M450 S487 M488 K493 Q494 A495	E443-K491 WeakPolarHBondContact OE1-CE 3.34Å; E443-K491 IonicContact OE1-NZ 2.7Å; E443-K491 PolarHBondContact OE1-NZ 2.95Å; N447-K491 WeakPolarHBondContact OD1-CE 3.43Å; N447-K491 PolarHBondContact OD1-NZ 2.71Å; M450-K491 HydrophobicContact CE-CB 4.3Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 3.99Å; M450-K491 HydrophobicContact SD-CB 4.15Å; S487-K491 WeakPolarHBondContact O-CG 3.38Å; S487-K491 PolarHBondContact O-N 2.9Å; S487-K491 WeakPolarHBondContact OG-CE 3.42Å; M488-K491 PolarHBondContact O-N 2.87Å; K491-K493 VanDerWaalsContact C-N 3.29Å; K491-K493 PolarHBondContact O-N 3.4Å; K491-Q494 PolarHBondContact O-N 3.14Å; K491-A495 PolarHBondContact O-N 3.29Å; K491-A495 VanDerWaalsContact O-N 3.09Å
492	L	94.7	Very high	92	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-36.1	174.8	-68.4	173.1	0	0	0	112.2	M450 F453 F462 Y466 M488 I489 S490 A495 C496 Y500 T501 L504	M450-L492 HydrophobicContact CE-CD2 4.21Å; M450-L492 HydrophobicContact SD-CD2 4.08Å; F453-L492 HydrophobicContact CE1-CD2 4.15Å; F453-L492 HydrophobicContact CE2-CD2 4.18Å; F453-L492 HydrophobicContact CZ-CD2 3.95Å; F462-L492 HydrophobicContact CD1-CD2 4.4Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.69Å; F462-L492 HydrophobicContact CZ-CD2 4.39Å; Y466-L492 HydrophobicContact CD1-CD1 4.32Å; Y466-L492 HydrophobicContact CE1-CD1 4.22Å; M488-L492 HydrophobicContact CE-CD1 4.33Å; M488-L492 HydrophobicContact CE-CD2 4.18Å; M488-L492 HydrophobicContact CE-CG 4.18Å; M488-L492 WeakPolarHBondContact O-CG 3.35Å; M488-L492 PolarHBondContact O-N 2.88Å; I489-L492 PolarHBondContact O-N 2.99Å; S490-L492 PolarHBondContact O-N 3.45Å; L492-A495 PolarHBondContact O-N 3.02Å; L492-C496 PolarHBondContact O-N 2.96Å; L492-Y500 HydrophobicContact CB-CE1 4.49Å; L492-Y500 HydrophobicContact CD2-CE1 4.45Å; L492-T501 HydrophobicContact CB-CG2 3.72Å; L492-L504 HydrophobicContact CD1-CD1 4.22Å
493	K	93.3	Very high	92.1	Very high	86 Å²	86	49.1 Å²	49.1	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-40.8	176.5	-179.4	178.2	169.9	-176.8	0	111.3	I489 S490 K491 G497 T501	I489-K493 WeakPolarHBondContact O-CB 3.4Å; I489-K493 PolarHBondContact O-N 3.2Å; S490-K493 WeakPolarHBondContact O-CB 3.11Å; S490-K493 PolarHBondContact O-N 3.15Å; S490-K493 VanDerWaalsContact O-N 3.15Å; K491-K493 VanDerWaalsContact C-N 3.29Å; K491-K493 PolarHBondContact O-N 3.4Å; K493-G497 CarbonylContact O-C 3.48Å; K493-G497 WeakPolarHBondContact O-CA 3.18Å; K493-G497 PolarHBondContact O-N 2.97Å; K493-T501 HydrophobicContact CB-CG2 3.9Å; K493-T501 WeakPolarHBondContact CB-OG1 3.4Å
494	Q	92.2	Very high	92.2	Very high	159 Å²	159	43.8 Å²	43.8	74%	0.743	24%	0.244	S	C	*	.	H	α-helix	trans	-64.4	-40.3	176.1	-70.3	176.4	3.3	0	0	111.7	S490 K491	S490-Q494 WeakPolarHBondContact O-CG 3.19Å; S490-Q494 PolarHBondContact O-N 2.93Å; K491-Q494 PolarHBondContact O-N 3.14Å
495	A	88	Confident	92.2	Very high	61 Å²	61	45.9 Å²	45.9	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-76.3	-40.5	-177.6	0	0	0	0	0	114.3	M450 F453 K491 L492	M450-A495 HydrophobicContact CE-CB 3.91Å; F453-A495 HydrophobicContact CD1-CB 4.37Å; F453-A495 HydrophobicContact CE1-CB 4.01Å; K491-A495 PolarHBondContact O-N 3.29Å; K491-A495 VanDerWaalsContact O-N 3.09Å; L492-A495 PolarHBondContact O-N 3.02Å
496	C	88.6	Confident	92.3	Very high	24 Å²	24	50.9 Å²	50.9	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-118	-5.9	-171.1	-63.7	0	0	0	0	114.8	F453 L492 Y500	F453-C496 VanDerWaalsContact CE1-SG 3.57Å; F453-C496 VanDerWaalsContact CZ-SG 3.58Å; L492-C496 PolarHBondContact O-N 2.96Å; C496-Y500 HydrophobicContact CB-CD1 3.5Å; C496-Y500 VanDerWaalsContact CB-CD1 3.5Å; C496-Y500 HydrophobicContact CB-CD2 3.73Å; C496-Y500 HydrophobicContact CB-CE1 4.02Å; C496-Y500 HydrophobicContact CB-CE2 4.22Å; C496-Y500 HydrophobicContact CB-CG 3.31Å
497	G	88.1	Confident	92.4	Very high	30 Å²	30	48.5 Å²	48.5	31%	0.309	25%	0.251	S	S	.	.			trans	89.4	177.3	-179.2	0	0	0	0	0	115.2	K493 Y500 T501	K493-G497 CarbonylContact O-C 3.48Å; K493-G497 WeakPolarHBondContact O-CA 3.18Å; K493-G497 PolarHBondContact O-N 2.97Å; G497-Y500 PolarHBondContact O-N 3.28Å; G497-T501 PolarHBondContact O-OG1 3.12Å
498	F	88.8	Confident	92.1	Very high	110 Å²	110	49.4 Å²	49.4	48%	0.482	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-47.4	-173.6	178.8	-104.2	0	0	0	113.4	Y500 T501 S502	F498-Y500 PolarHBondContact O-N 3.17Å; F498-Y500 VanDerWaalsContact O-N 3.09Å; F498-T501 PolarHBondContact O-N 3.4Å; F498-T501 PolarHBondContact O-OG1 2.87Å; F498-S502 PolarHBondContact O-N 3.33Å
499	E	87	Confident	92	Very high	124 Å²	124	54.4 Å²	54.4	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-22.6	-179.1	-70.4	-59.3	143.6	0	0	113.7	S502 R741	E499-S502 PolarHBondContact O-OG 3.14Å; E499-R741 VanDerWaalsContact CB-NH2 3.27Å
500	Y	88.4	Confident	92	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-77	-28.9	176	-173.1	-90.9	0	0	0	112	F453 K459 Q463 L492 C496 G497 F498	F453-Y500 HydrophobicContact CZ-CE1 4.46Å; K459-Y500 HydrophobicContact CB-CE2 4.26Å; K459-Y500 PolarHBondContact O-OH 2.92Å; Q463-Y500 HydrophobicContact CB-CE1 4.18Å; Q463-Y500 HydrophobicContact CB-CE2 3.74Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.41Å; Q463-Y500 HydrophobicContact CG-CD1 4.29Å; Q463-Y500 HydrophobicContact CG-CD2 4.27Å; Q463-Y500 HydrophobicContact CG-CE1 3.87Å; Q463-Y500 HydrophobicContact CG-CE2 3.85Å; Q463-Y500 HydrophobicContact CG-CG 4.49Å; Q463-Y500 PolarHBondContact NE2-O 3.18Å; L492-Y500 HydrophobicContact CB-CE1 4.49Å; L492-Y500 HydrophobicContact CD2-CE1 4.45Å; C496-Y500 HydrophobicContact CB-CD1 3.5Å; C496-Y500 VanDerWaalsContact CB-CD1 3.5Å; C496-Y500 HydrophobicContact CB-CD2 3.73Å; C496-Y500 HydrophobicContact CB-CE1 4.02Å; C496-Y500 HydrophobicContact CB-CE2 4.22Å; C496-Y500 HydrophobicContact CB-CG 3.31Å; G497-Y500 PolarHBondContact O-N 3.28Å; F498-Y500 PolarHBondContact O-N 3.17Å; F498-Y500 VanDerWaalsContact O-N 3.09Å
501	T	92.9	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-107.7	-8.5	-175.7	51.8	0	0	0	0	114	I489 L492 K493 G497 F498 K503 L504 Q505	I489-T501 HydrophobicContact CG2-CG2 4.39Å; L492-T501 HydrophobicContact CB-CG2 3.72Å; K493-T501 HydrophobicContact CB-CG2 3.9Å; K493-T501 WeakPolarHBondContact CB-OG1 3.4Å; G497-T501 PolarHBondContact O-OG1 3.12Å; F498-T501 PolarHBondContact O-N 3.4Å; F498-T501 PolarHBondContact O-OG1 2.87Å; T501-K503 VanDerWaalsContact C-N 3.34Å; T501-K503 PolarHBondContact O-N 3.01Å; T501-L504 WeakPolarHBondContact O-CB 3.24Å; T501-L504 PolarHBondContact O-N 2.84Å; T501-Q505 WeakPolarHBondContact O-CG 3.28Å; T501-Q505 PolarHBondContact O-N 2.86Å
502	S	92.4	Very high	91.7	Very high	34 Å²	34	53.1 Å²	53.1	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-50.6	-47.2	-176	61.7	0	0	0	0	113.6	F498 E499 Q505 R506	F498-S502 PolarHBondContact O-N 3.33Å; E499-S502 PolarHBondContact O-OG 3.14Å; S502-Q505 PolarHBondContact O-N 3.41Å; S502-R506 WeakPolarHBondContact O-CB 3.48Å; S502-R506 PolarHBondContact O-N 3.22Å
503	K	92.3	Very high	91.6	Very high	108 Å²	108	57 Å²	57	47%	0.47	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.8	-66.7	-174.2	178.9	-175.7	0	112.4	T501 R506 M507	T501-K503 VanDerWaalsContact C-N 3.34Å; T501-K503 PolarHBondContact O-N 3.01Å; K503-R506 PolarHBondContact O-N 2.98Å; K503-M507 VanDerWaalsContact O-CG 3.24Å; K503-M507 WeakPolarHBondContact O-CG 3.44Å; K503-M507 PolarHBondContact O-N 3.12Å
504	L	94.5	Very high	91.6	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-43.8	179.3	-53.5	178.6	0	0	0	111.2	Y466 A467 L470 I489 L492 T501 R506 M507 F508	Y466-L504 HydrophobicContact CD1-CD1 4Å; Y466-L504 HydrophobicContact CD1-CD2 4.26Å; Y466-L504 HydrophobicContact CE1-CD1 4.18Å; A467-L504 HydrophobicContact CB-CD2 3.58Å; L470-L504 HydrophobicContact CD2-CB 4.07Å; L470-L504 HydrophobicContact CD2-CD2 3.86Å; L470-L504 HydrophobicContact CD2-CG 4.49Å; I489-L504 HydrophobicContact CD1-CB 4.1Å; I489-L504 HydrophobicContact CG1-CB 4.23Å; I489-L504 HydrophobicContact CG2-CB 4.47Å; L492-L504 HydrophobicContact CD1-CD1 4.22Å; T501-L504 WeakPolarHBondContact O-CB 3.24Å; T501-L504 PolarHBondContact O-N 2.84Å; L504-R506 VanDerWaalsContact C-N 3.32Å; L504-R506 PolarHBondContact O-N 3.18Å; L504-M507 HydrophobicContact CD2-SD 4.41Å; L504-M507 WeakPolarHBondContact O-CB 3.42Å; L504-M507 PolarHBondContact O-N 3.4Å; L504-F508 PolarHBondContact O-N 2.81Å
505	Q	93.8	Very high	91.6	Very high	50 Å²	50	50.7 Å²	50.7	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-40.8	175.4	-67.9	-175.6	-37.7	0	0	111.3	I489 T501 S502 M507 F508 Q509	I489-Q505 HydrophobicContact CG2-CG 3.65Å; T501-Q505 WeakPolarHBondContact O-CG 3.28Å; T501-Q505 PolarHBondContact O-N 2.86Å; S502-Q505 PolarHBondContact O-N 3.41Å; Q505-M507 VanDerWaalsContact C-N 3.34Å; Q505-M507 PolarHBondContact O-N 2.79Å; Q505-F508 WeakPolarHBondContact O-CB 3.41Å; Q505-F508 PolarHBondContact O-N 3.49Å; Q505-Q509 WeakPolarHBondContact O-CG 3.28Å; Q505-Q509 PolarHBondContact O-N 3.35Å
506	R	94.9	Very high	91.9	Very high	105 Å²	105	51.7 Å²	51.7	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-38	177.1	-171.8	65.8	-151.9	-174.4	0.2	112.4	S502 K503 L504 F508 Q509 D510 S544	S502-R506 WeakPolarHBondContact O-CB 3.48Å; S502-R506 PolarHBondContact O-N 3.22Å; K503-R506 PolarHBondContact O-N 2.98Å; L504-R506 VanDerWaalsContact C-N 3.32Å; L504-R506 PolarHBondContact O-N 3.18Å; R506-F508 VanDerWaalsContact C-N 3.32Å; R506-F508 PolarHBondContact O-N 2.81Å; R506-Q509 PolarHBondContact O-N 3.23Å; R506-D510 IonicContact CZ-OD1 3.41Å; R506-D510 IonicContact NE-OD1 2.84Å; R506-D510 PolarHBondContact NE-OD1 3.33Å; R506-D510 IonicContact NH2-OD1 3.82Å; R506-D510 PolarHBondContact NH2-OD1 2.88Å; R506-D510 VanDerWaalsContact O-CG 3.26Å; R506-D510 PolarHBondContact O-N 2.96Å; R506-S544 WeakPolarHBondContact CG-OG 3.36Å
507	M	94.8	Very high	92.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-42.8	173.7	-67.6	165.1	59.6	0	0	111.7	L470 A471 L474 K503 L504 Q505 D510 I511 W545	L470-M507 HydrophobicContact CB-CE 4.35Å; L470-M507 HydrophobicContact CD2-CE 4.19Å; L470-M507 HydrophobicContact CG-CE 4.07Å; A471-M507 HydrophobicContact CB-CE 3.4Å; A471-M507 VanDerWaalsContact CB-CE 3.4Å; L474-M507 HydrophobicContact CD1-CB 3.92Å; L474-M507 HydrophobicContact CD1-CE 4.25Å; K503-M507 VanDerWaalsContact O-CG 3.24Å; K503-M507 WeakPolarHBondContact O-CG 3.44Å; K503-M507 PolarHBondContact O-N 3.12Å; L504-M507 HydrophobicContact CD2-SD 4.41Å; L504-M507 WeakPolarHBondContact O-CB 3.42Å; L504-M507 PolarHBondContact O-N 3.4Å; Q505-M507 VanDerWaalsContact C-N 3.34Å; Q505-M507 PolarHBondContact O-N 2.79Å; M507-D510 PolarHBondContact O-N 3.34Å; M507-I511 PolarHBondContact O-N 3.36Å; M507-W545 HydrophobicContact CB-CD2 4.45Å; M507-W545 HydrophobicContact CB-CH2 4.15Å; M507-W545 HydrophobicContact CB-CZ2 3.67Å; M507-W545 HydrophobicContact CE-CD2 4.3Å; M507-W545 HydrophobicContact CE-CE3 3.86Å; M507-W545 HydrophobicContact CE-CH2 4.25Å; M507-W545 HydrophobicContact CE-CZ3 3.84Å; M507-W545 HydrophobicContact CG-CD2 3.83Å; M507-W545 HydrophobicContact CG-CE3 4.32Å; M507-W545 HydrophobicContact CG-CG 4.17Å; M507-W545 HydrophobicContact CG-CH2 4.49Å; M507-W545 HydrophobicContact CG-CZ2 3.99Å; M507-W545 WeakPolarHBondContact O-CZ2 3.3Å
508	F	89.4	Confident	92.4	Very high	47 Å²	47	50.2 Å²	50.2	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-45.9	174.1	-106.7	-83.4	0	0	0	112.8	L470 L474 E485 I489 L504 Q505 R506 D510 I511 G512	L470-F508 HydrophobicContact CD1-CE2 3.91Å; L474-F508 HydrophobicContact CD1-CD2 4.28Å; L474-F508 HydrophobicContact CD1-CE2 4.39Å; L474-F508 HydrophobicContact CD2-CE1 4.21Å; L474-F508 HydrophobicContact CD2-CE2 4.04Å; L474-F508 HydrophobicContact CD2-CZ 3.83Å; E485-F508 HydrophobicContact CB-CE1 4.37Å; E485-F508 HydrophobicContact CB-CE2 3.65Å; E485-F508 HydrophobicContact CB-CZ 3.27Å; E485-F508 HydrophobicContact CG-CE2 4.5Å; E485-F508 HydrophobicContact CG-CZ 4.01Å; I489-F508 HydrophobicContact CD1-CD2 3.41Å; I489-F508 VanDerWaalsContact CD1-CD2 3.41Å; I489-F508 HydrophobicContact CD1-CE2 3.6Å; I489-F508 HydrophobicContact CD1-CG 4.5Å; L504-F508 PolarHBondContact O-N 2.81Å; Q505-F508 WeakPolarHBondContact O-CB 3.41Å; Q505-F508 PolarHBondContact O-N 3.49Å; R506-F508 VanDerWaalsContact C-N 3.32Å; R506-F508 PolarHBondContact O-N 2.81Å; F508-D510 PolarHBondContact O-N 3.36Å; F508-I511 PolarHBondContact O-N 3.1Å; F508-G512 PolarHBondContact O-N 3.09Å
509	Q	92.7	Very high	92.6	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-42.9	177.5	-69.6	173	1.8	0	0	112	Q505 R506 I511 G512 V513	Q505-Q509 WeakPolarHBondContact O-CG 3.28Å; Q505-Q509 PolarHBondContact O-N 3.35Å; R506-Q509 PolarHBondContact O-N 3.23Å; Q509-I511 VanDerWaalsContact C-N 3.27Å; Q509-I511 PolarHBondContact O-N 3.3Å; Q509-G512 PolarHBondContact O-N 3.27Å; Q509-G512 VanDerWaalsContact O-N 3.14Å; Q509-V513 WeakPolarHBondContact O-CG2 3.41Å; Q509-V513 PolarHBondContact O-N 3.39Å
510	D	94.8	Very high	92.9	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-33.8	-179.7	-71.7	-12.2	0	0	0	112	R506 M507 F508 S514 L540 S541 W545	R506-D510 IonicContact CZ-OD1 3.41Å; R506-D510 IonicContact NE-OD1 2.84Å; R506-D510 PolarHBondContact NE-OD1 3.33Å; R506-D510 IonicContact NH2-OD1 3.82Å; R506-D510 PolarHBondContact NH2-OD1 2.88Å; R506-D510 VanDerWaalsContact O-CG 3.26Å; R506-D510 PolarHBondContact O-N 2.96Å; M507-D510 PolarHBondContact O-N 3.34Å; F508-D510 PolarHBondContact O-N 3.36Å; D510-S514 VanDerWaalsContact O-CB 3.28Å; D510-S514 WeakPolarHBondContact O-CB 3.31Å; D510-S514 PolarHBondContact O-N 2.8Å; D510-S514 PolarHBondContact O-OG 2.86Å; D510-L540 HydrophobicContact CB-CD2 4.44Å; D510-S541 VanDerWaalsContact OD2-CB 3.24Å; D510-S541 WeakPolarHBondContact OD2-CB 3.24Å; D510-S541 PolarHBondContact OD2-N 3.41Å; D510-S541 PolarHBondContact OD2-OG 3.08Å; D510-W545 HydrophobicContact CB-CZ2 4.29Å; D510-W545 PolarHBondContact OD2-NE1 3.07Å
511	I	92.9	Very high	93	Very high	20 Å²	20	46.7 Å²	46.7	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-43.5	173.3	-65.2	-60.5	0	0	0	111.3	L474 M507 F508 Q509 S514 K515 L540 W545	L474-I511 HydrophobicContact CB-CD1 4.2Å; L474-I511 HydrophobicContact CB-CG1 4Å; L474-I511 HydrophobicContact CD1-CG1 4.23Å; L474-I511 HydrophobicContact CD2-CG1 4.4Å; L474-I511 HydrophobicContact CG-CG1 4.44Å; M507-I511 PolarHBondContact O-N 3.36Å; F508-I511 PolarHBondContact O-N 3.1Å; Q509-I511 VanDerWaalsContact C-N 3.27Å; Q509-I511 PolarHBondContact O-N 3.3Å; I511-S514 PolarHBondContact O-N 2.81Å; I511-K515 PolarHBondContact O-N 2.93Å; I511-L540 HydrophobicContact CD1-CD2 4.19Å; I511-W545 HydrophobicContact CD1-CH2 3.85Å; I511-W545 HydrophobicContact CD1-CZ2 4.15Å; I511-W545 HydrophobicContact CG1-CH2 4.07Å; I511-W545 HydrophobicContact CG1-CZ2 4.19Å
512	G	90.6	Very high	92.9	Very high	41 Å²	41	51.8 Å²	51.8	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-48	175.2	0	0	0	0	0	112.2	F508 Q509 S514 K515 D516	F508-G512 PolarHBondContact O-N 3.09Å; Q509-G512 PolarHBondContact O-N 3.27Å; Q509-G512 VanDerWaalsContact O-N 3.14Å; G512-S514 VanDerWaalsContact C-N 3.29Å; G512-S514 PolarHBondContact O-N 3.41Å; G512-K515 PolarHBondContact O-N 3.39Å; G512-D516 PolarHBondContact O-N 2.96Å
513	V	93.4	Very high	92.8	Very high	84 Å²	84	57 Å²	57	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-37.8	176.3	173.7	0	0	0	0	111.4	Q509 K515 D516 L517	Q509-V513 WeakPolarHBondContact O-CG2 3.41Å; Q509-V513 PolarHBondContact O-N 3.39Å; V513-K515 VanDerWaalsContact C-N 3.35Å; V513-K515 PolarHBondContact O-N 2.71Å; V513-D516 PolarHBondContact O-N 3.14Å; V513-L517 WeakPolarHBondContact O-CB 3.21Å; V513-L517 PolarHBondContact O-N 2.88Å
514	S	93.8	Very high	92.6	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-37.5	176.4	-68.4	0	0	0	0	112.4	D510 I511 G512 L517 N518 V539	D510-S514 VanDerWaalsContact O-CB 3.28Å; D510-S514 WeakPolarHBondContact O-CB 3.31Å; D510-S514 PolarHBondContact O-N 2.8Å; D510-S514 PolarHBondContact O-OG 2.86Å; I511-S514 PolarHBondContact O-N 2.81Å; G512-S514 VanDerWaalsContact C-N 3.29Å; G512-S514 PolarHBondContact O-N 3.41Å; S514-L517 PolarHBondContact O-N 3.16Å; S514-N518 PolarHBondContact O-N 3.44Å; S514-N518 PolarHBondContact O-ND2 2.97Å; S514-V539 PolarHBondContact OG-N 3.37Å; S514-V539 PolarHBondContact OG-O 3.01Å; S514-V539 VanDerWaalsContact OG-O 3.1Å
515	K	92	Very high	92.2	Very high	109 Å²	109	56.8 Å²	56.8	47%	0.474	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-49.7	175.6	-71.2	176.7	-178.4	176.7	0	110.9	I511 G512 V513 L517 N518 E519	I511-K515 PolarHBondContact O-N 2.93Å; G512-K515 PolarHBondContact O-N 3.39Å; V513-K515 VanDerWaalsContact C-N 3.35Å; V513-K515 PolarHBondContact O-N 2.71Å; K515-L517 VanDerWaalsContact C-N 3.34Å; K515-L517 PolarHBondContact O-N 2.77Å; K515-N518 WeakPolarHBondContact O-CB 3.42Å; K515-N518 PolarHBondContact O-N 2.7Å; K515-E519 PolarHBondContact O-N 2.91Å; K515-E519 VanDerWaalsContact O-N 3.14Å
516	D	93.6	Very high	91.7	Very high	81 Å²	81	59.9 Å²	59.9	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-42.1	176.5	177.3	37.2	0	0	0	111.9	G512 V513 N518 E519 Q520	G512-D516 PolarHBondContact O-N 2.96Å; V513-D516 PolarHBondContact O-N 3.14Å; D516-N518 VanDerWaalsContact C-N 3.32Å; D516-N518 PolarHBondContact O-N 3.41Å; D516-E519 PolarHBondContact O-N 3.08Å; D516-E519 VanDerWaalsContact O-N 3.16Å; D516-Q520 VanDerWaalsContact O-CG 3.26Å; D516-Q520 WeakPolarHBondContact O-CG 3.43Å; D516-Q520 PolarHBondContact O-N 3.1Å; D516-Q520 PolarHBondContact OD1-NE2 2.93Å; D516-Q520 PolarHBondContact OD2-NE2 2.59Å
517	L	94.2	Very high	91	Very high	9 Å²	9	61.7 Å²	61.7	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-37.8	176.5	-172.3	64.8	0	0	0	112.8	V513 S514 K515 Q520 F521 V539 F566 F569 Y570	V513-L517 WeakPolarHBondContact O-CB 3.21Å; V513-L517 PolarHBondContact O-N 2.88Å; S514-L517 PolarHBondContact O-N 3.16Å; K515-L517 VanDerWaalsContact C-N 3.34Å; K515-L517 PolarHBondContact O-N 2.77Å; L517-Q520 PolarHBondContact O-N 2.81Å; L517-F521 WeakPolarHBondContact O-CB 3.26Å; L517-F521 PolarHBondContact O-N 2.96Å; L517-V539 HydrophobicContact CD2-CB 3.97Å; L517-V539 HydrophobicContact CD2-CG2 3.47Å; L517-V539 VanDerWaalsContact CD2-CG2 3.47Å; L517-F566 HydrophobicContact CD2-CE2 4.43Å; L517-F566 HydrophobicContact CD2-CZ 3.88Å; L517-F566 HydrophobicContact CG-CE2 4.42Å; L517-F566 HydrophobicContact CG-CZ 4.35Å; L517-F569 HydrophobicContact CD1-CE1 3.77Å; L517-F569 HydrophobicContact CD1-CZ 4.37Å; L517-F569 HydrophobicContact CG-CE1 4.45Å; L517-Y570 HydrophobicContact CD2-CD2 3.97Å; L517-Y570 HydrophobicContact CD2-CE2 3.98Å
518	N	93.3	Very high	90.2	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.08	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-42	174.1	-77.6	-70.1	0	0	0	112	S514 K515 D516 Q520 F521 K522 S536 I537	S514-N518 PolarHBondContact O-N 3.44Å; S514-N518 PolarHBondContact O-ND2 2.97Å; K515-N518 WeakPolarHBondContact O-CB 3.42Å; K515-N518 PolarHBondContact O-N 2.7Å; D516-N518 VanDerWaalsContact C-N 3.32Å; D516-N518 PolarHBondContact O-N 3.41Å; N518-Q520 VanDerWaalsContact C-N 3.32Å; N518-Q520 PolarHBondContact O-N 2.94Å; N518-F521 PolarHBondContact O-N 3.37Å; N518-K522 WeakPolarHBondContact O-CG 3.24Å; N518-K522 PolarHBondContact O-N 3.21Å; N518-S536 WeakPolarHBondContact OD1-CA 3.4Å; N518-S536 PolarHBondContact OD1-OG 3.35Å; N518-I537 PolarHBondContact ND2-O 2.78Å; N518-I537 PolarHBondContact OD1-N 3.05Å; N518-I537 PolarHBondContact OD1-O 3.31Å
519	E	92.9	Very high	89.7	Confident	111 Å²	111	67.6 Å²	67.6	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.8	-68.9	-178.5	-171.4	0	0	111.5	K515 D516 F521 K522 K523	K515-E519 PolarHBondContact O-N 2.91Å; K515-E519 VanDerWaalsContact O-N 3.14Å; D516-E519 PolarHBondContact O-N 3.08Å; D516-E519 VanDerWaalsContact O-N 3.16Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 2.93Å; E519-K522 PolarHBondContact O-N 3.03Å; E519-K523 WeakPolarHBondContact O-CG 3.36Å; E519-K523 PolarHBondContact O-N 2.91Å
520	Q	92.4	Very high	89	Confident	47 Å²	47	67.4 Å²	67.4	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-40.3	175	-69.8	171.3	23	0	0	112	D516 L517 N518 H524 F569 R573	D516-Q520 VanDerWaalsContact O-CG 3.26Å; D516-Q520 WeakPolarHBondContact O-CG 3.43Å; D516-Q520 PolarHBondContact O-N 3.1Å; D516-Q520 PolarHBondContact OD1-NE2 2.93Å; D516-Q520 PolarHBondContact OD2-NE2 2.59Å; L517-Q520 PolarHBondContact O-N 2.81Å; N518-Q520 VanDerWaalsContact C-N 3.32Å; N518-Q520 PolarHBondContact O-N 2.94Å; Q520-H524 PolarHBondContact O-N 2.93Å; Q520-F569 HydrophobicContact CB-CZ 4.04Å; Q520-R573 VanDerWaalsContact CD-NH1 3.29Å
521	F	92.2	Very high	88.4	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-67.3	-44	176.3	-175.8	-121.4	0	0	0	111.8	L517 N518 E519 K523 H524 L525 L531 F535 R565 F566 F569	L517-F521 WeakPolarHBondContact O-CB 3.26Å; L517-F521 PolarHBondContact O-N 2.96Å; N518-F521 PolarHBondContact O-N 3.37Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 2.93Å; F521-K523 VanDerWaalsContact C-N 3.31Å; F521-K523 PolarHBondContact O-N 2.91Å; F521-H524 WeakPolarHBondContact O-CB 3.07Å; F521-H524 PolarHBondContact O-N 3Å; F521-H524 VanDerWaalsContact O-N 3.08Å; F521-L525 HydrophobicContact CD1-CD1 3.91Å; F521-L525 HydrophobicContact CD1-CG 4.44Å; F521-L525 HydrophobicContact CD2-CG 4.5Å; F521-L525 HydrophobicContact CE1-CD1 3.52Å; F521-L525 HydrophobicContact CE1-CD2 4.48Å; F521-L525 HydrophobicContact CE1-CG 4.12Å; F521-L525 HydrophobicContact CE2-CD1 4.47Å; F521-L525 HydrophobicContact CE2-CD2 4.21Å; F521-L525 HydrophobicContact CE2-CG 4.18Å; F521-L525 HydrophobicContact CZ-CD1 3.85Å; F521-L525 HydrophobicContact CZ-CD2 3.95Å; F521-L525 HydrophobicContact CZ-CG 3.98Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.37Å; F521-L531 HydrophobicContact CE1-CD1 4.07Å; F521-L531 HydrophobicContact CZ-CD1 4.36Å; F521-F535 HydrophobicContact CD1-CD1 4.18Å; F521-F535 AromaticContact CE1-CD1 3.66Å; F521-F535 HydrophobicContact CE1-CD1 3.66Å; F521-F535 HydrophobicContact CE1-CE1 4.06Å; F521-R565 HydrophobicContact CZ-CB 4.32Å; F521-F566 HydrophobicContact CB-CD2 4.47Å; F521-F566 HydrophobicContact CB-CE2 4.45Å; F521-F566 AromaticContact CD1-CD2 3.95Å; F521-F566 HydrophobicContact CD1-CD2 3.95Å; F521-F566 AromaticContact CD2-CD2 3.91Å; F521-F566 HydrophobicContact CD2-CD2 3.91Å; F521-F566 HydrophobicContact CE1-CB 4.35Å; F521-F566 HydrophobicContact CE1-CD2 4.1Å; F521-F566 HydrophobicContact CE2-CB 4.27Å; F521-F566 HydrophobicContact CE2-CD2 4.06Å; F521-F566 AromaticContact CG-CD2 3.84Å; F521-F566 HydrophobicContact CG-CD2 3.84Å; F521-F566 HydrophobicContact CG-CE2 4.31Å; F521-F566 HydrophobicContact CZ-CB 3.96Å; F521-F566 HydrophobicContact CZ-CD2 4.15Å; F521-F569 HydrophobicContact CB-CD1 4.17Å; F521-F569 HydrophobicContact CB-CE1 3.78Å; F521-F569 HydrophobicContact CB-CZ 4.05Å; F521-F569 HydrophobicContact CD2-CB 3.84Å; F521-F569 AromaticContact CD2-CD1 3.49Å; F521-F569 HydrophobicContact CD2-CD1 3.49Å; F521-F569 VanDerWaalsContact CD2-CD1 3.49Å; F521-F569 AromaticContact CD2-CD2 3.99Å; F521-F569 HydrophobicContact CD2-CD2 3.99Å; F521-F569 AromaticContact CD2-CE1 3.97Å; F521-F569 HydrophobicContact CD2-CE1 3.97Å; F521-F569 HydrophobicContact CD2-CE2 4.4Å; F521-F569 AromaticContact CD2-CG 3.5Å; F521-F569 HydrophobicContact CD2-CG 3.5Å; F521-F569 HydrophobicContact CD2-CZ 4.4Å; F521-F569 HydrophobicContact CE2-CB 3.83Å; F521-F569 HydrophobicContact CE2-CD1 4.27Å; F521-F569 HydrophobicContact CE2-CG 4.04Å; F521-F569 HydrophobicContact CG-CD1 4.19Å; F521-F569 HydrophobicContact CG-CE1 4.3Å
522	K	90.2	Very high	88	Confident	107 Å²	107	73.8 Å²	73.8	47%	0.465	39%	0.392	S	S	.	.	H	α-helix	trans	-57.7	-43.2	174.9	-74.5	-179.5	179.1	-169.6	0	111.8	N518 E519 L525 T526	N518-K522 WeakPolarHBondContact O-CG 3.24Å; N518-K522 PolarHBondContact O-N 3.21Å; E519-K522 PolarHBondContact O-N 3.03Å; K522-L525 PolarHBondContact O-N 3.03Å; K522-T526 PolarHBondContact O-N 3.11Å; K522-T526 VanDerWaalsContact O-N 3.16Å; K522-T526 PolarHBondContact O-OG1 2.78Å; K522-T526 VanDerWaalsContact O-OG1 3.06Å
523	K	89.3	Confident	87.9	Confident	143 Å²	143	74.4 Å²	74.4	62%	0.622	39%	0.386	S	S	*	.	H	α-helix	trans	-63.5	-39	174.1	-71.8	173.1	-176.4	171.6	0	112.6	E519 F521 L525 T526	E519-K523 WeakPolarHBondContact O-CG 3.36Å; E519-K523 PolarHBondContact O-N 2.91Å; F521-K523 VanDerWaalsContact C-N 3.31Å; F521-K523 PolarHBondContact O-N 2.91Å; K523-L525 VanDerWaalsContact C-N 3.34Å; K523-T526 PolarHBondContact O-N 3.32Å
524	H	88.2	Confident	87.7	Confident	79 Å²	79	77.5 Å²	77.5	37%	0.366	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-40	176.1	-179.7	70.1	0	0	0	111.8	Q520 F521 T526 N527 F569	Q520-H524 PolarHBondContact O-N 2.93Å; F521-H524 WeakPolarHBondContact O-CB 3.07Å; F521-H524 PolarHBondContact O-N 3Å; F521-H524 VanDerWaalsContact O-N 3.08Å; H524-T526 VanDerWaalsContact C-N 3.32Å; H524-T526 PolarHBondContact O-N 3.49Å; H524-N527 PolarHBondContact O-N 3.43Å; H524-F569 HydrophobicContact CB-CD2 3.91Å; H524-F569 HydrophobicContact CB-CE2 3.76Å; H524-F569 AromaticContact CD2-CD2 3.61Å; H524-F569 AromaticContact CG-CD2 3.68Å; H524-F569 AromaticContact CG-CE2 4Å
525	L	87	Confident	87.5	Confident	27 Å²	27	79 Å²	79	14%	0.141	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-29.7	176.6	-71.2	175.1	0	0	0	113.2	F521 K522 K523 N527 S528 L531	F521-L525 HydrophobicContact CD1-CD1 3.91Å; F521-L525 HydrophobicContact CD1-CG 4.44Å; F521-L525 HydrophobicContact CD2-CG 4.5Å; F521-L525 HydrophobicContact CE1-CD1 3.52Å; F521-L525 HydrophobicContact CE1-CD2 4.48Å; F521-L525 HydrophobicContact CE1-CG 4.12Å; F521-L525 HydrophobicContact CE2-CD1 4.47Å; F521-L525 HydrophobicContact CE2-CD2 4.21Å; F521-L525 HydrophobicContact CE2-CG 4.18Å; F521-L525 HydrophobicContact CZ-CD1 3.85Å; F521-L525 HydrophobicContact CZ-CD2 3.95Å; F521-L525 HydrophobicContact CZ-CG 3.98Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.37Å; K522-L525 PolarHBondContact O-N 3.03Å; K523-L525 VanDerWaalsContact C-N 3.34Å; L525-N527 PolarHBondContact O-N 3.46Å; L525-S528 CarbonylContact O-C 3.57Å; L525-S528 PolarHBondContact O-N 2.97Å; L525-L531 HydrophobicContact CD1-CD1 3.64Å; L525-L531 HydrophobicContact CD1-CG 3.98Å; L525-L531 HydrophobicContact CD2-CD1 4.43Å; L525-L531 HydrophobicContact CD2-CG 4.16Å
526	T	84	Confident	87.5	Confident	115 Å²	115	77.5 Å²	77.5	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-27.3	175.1	-46.1	0	0	0	0	112.6	K522 K523 H524 S528	K522-T526 PolarHBondContact O-N 3.11Å; K522-T526 VanDerWaalsContact O-N 3.16Å; K522-T526 PolarHBondContact O-OG1 2.78Å; K522-T526 VanDerWaalsContact O-OG1 3.06Å; K523-T526 PolarHBondContact O-N 3.32Å; H524-T526 VanDerWaalsContact C-N 3.32Å; H524-T526 PolarHBondContact O-N 3.49Å; T526-S528 VanDerWaalsContact C-N 3.32Å
527	N	79.3	Confident	87.5	Confident	144 Å²	144	74.9 Å²	74.9	77%	0.77	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	8.7	177.2	-62.5	-22.1	0	0	0	112.7	H524 L525	H524-N527 PolarHBondContact O-N 3.43Å; L525-N527 PolarHBondContact O-N 3.46Å
528	S	79.2	Confident	87.5	Confident	52 Å²	52	76.9 Å²	76.9	36%	0.364	40%	0.404	S	S	.	.	S	Bend	trans	-136.9	178.4	-176.3	-62.7	0	0	0	0	110.2	L525 T526	L525-S528 CarbonylContact O-C 3.57Å; L525-S528 PolarHBondContact O-N 2.97Å; T526-S528 VanDerWaalsContact C-N 3.32Å
529	E	77.4	Confident	87.5	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.551	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-61.3	136.2	170.5	-73	-179.5	153.4	0	0	111	R561	E529-R561 IonicContact OE2-NH2 3.74Å; E529-R561 PolarHBondContact OE2-NH2 2.98Å
530	P	78.7	Confident	87.6	Confident	102 Å²	102	74.4 Å²	74.4	66%	0.662	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-64.4	150.1	176.7	27.6	-33.4	0	0	0	110.9
531	L	83	Confident	87.6	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.141	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-73.1	148.5	169.4	-66.5	174.1	0	0	0	109.9	F521 L525 L533 F535 R561 R565	F521-L531 HydrophobicContact CE1-CD1 4.07Å; F521-L531 HydrophobicContact CZ-CD1 4.36Å; L525-L531 HydrophobicContact CD1-CD1 3.64Å; L525-L531 HydrophobicContact CD1-CG 3.98Å; L525-L531 HydrophobicContact CD2-CD1 4.43Å; L525-L531 HydrophobicContact CD2-CG 4.16Å; L531-L533 PolarHBondContact O-N 2.91Å; L531-F535 HydrophobicContact CD1-CB 3.79Å; L531-F535 HydrophobicContact CD1-CG 4.34Å; L531-R561 HydrophobicContact CD2-CG 4.44Å; L531-R565 HydrophobicContact CD2-CB 4.45Å; L531-R565 HydrophobicContact CD2-CG 4.27Å
532	D	82.8	Confident	87.4	Confident	134 Å²	134	79.6 Å²	79.6	72%	0.717	44%	0.436	S	S	*	.	S	Bend	trans	-73.5	-3.4	177.6	-52.1	-57	0	0	0	112.6	R561	D532-R561 IonicContact OD1-NH1 2.68Å; D532-R561 PolarHBondContact OD1-NH1 2.96Å; D532-R561 IonicContact OD2-CZ 3.65Å; D532-R561 IonicContact OD2-NH1 2.83Å; D532-R561 PolarHBondContact OD2-NH1 3.27Å
533	L	88.5	Confident	87.3	Confident	54 Å²	54	77.1 Å²	77.1	28%	0.283	44%	0.441	S	S	.	.	S	Bend	trans	-143.1	153.8	-177.9	65.6	94.3	0	0	0	112.3	L531 F535 E558 L559	L531-L533 PolarHBondContact O-N 2.91Å; L533-F535 HydrophobicContact CD1-CB 3.71Å; L533-F535 HydrophobicContact CD1-CD2 4.15Å; L533-F535 HydrophobicContact CD1-CG 4.42Å; L533-F535 PolarHBondContact O-N 3.45Å; L533-E558 VanDerWaalsContact CD2-O 3.25Å; L533-E558 WeakPolarHBondContact CD2-O 3.26Å; L533-L559 HydrophobicContact CD2-CD2 3.83Å
534	D	89	Confident	87.3	Confident	149 Å²	149	71.5 Å²	71.5	80%	0.797	42%	0.42	S	S	*	.			trans	-75	108.8	171.4	-174.7	16.4	0	0	0	109.9
535	F	91.3	Very high	87.5	Confident	34 Å²	34	68.5 Å²	68.5	15%	0.149	41%	0.405	C	S	.	.			trans	-111.2	129.9	-172.1	-177.8	-100.9	0	0	0	111.5	F521 L531 L533 I537 F566 W581	F521-F535 HydrophobicContact CD1-CD1 4.18Å; F521-F535 AromaticContact CE1-CD1 3.66Å; F521-F535 HydrophobicContact CE1-CD1 3.66Å; F521-F535 HydrophobicContact CE1-CE1 4.06Å; L531-F535 HydrophobicContact CD1-CB 3.79Å; L531-F535 HydrophobicContact CD1-CG 4.34Å; L533-F535 HydrophobicContact CD1-CB 3.71Å; L533-F535 HydrophobicContact CD1-CD2 4.15Å; L533-F535 HydrophobicContact CD1-CG 4.42Å; L533-F535 PolarHBondContact O-N 3.45Å; F535-I537 HydrophobicContact CE1-CB 3.87Å; F535-I537 HydrophobicContact CE1-CG2 4.09Å; F535-I537 HydrophobicContact CZ-CB 3.93Å; F535-I537 HydrophobicContact CZ-CD1 4.37Å; F535-I537 HydrophobicContact CZ-CG1 4.39Å; F535-F566 HydrophobicContact CE1-CB 3.82Å; F535-F566 HydrophobicContact CE1-CD2 4.12Å; F535-F566 AromaticContact CE1-CG 3.94Å; F535-F566 HydrophobicContact CE1-CG 3.94Å; F535-F566 HydrophobicContact CZ-CB 4.2Å; F535-F566 HydrophobicContact CZ-CG 4.41Å; F535-W581 HydrophobicContact CZ-CH2 4.07Å; F535-W581 HydrophobicContact CZ-CZ3 4.21Å
536	S	91.8	Very high	87.4	Confident	77 Å²	77	69.9 Å²	69.9	54%	0.538	42%	0.416	S	S	.	.			trans	-136.9	143.4	170.9	-174.7	0	0	0	0	109.7	N518	N518-S536 WeakPolarHBondContact OD1-CA 3.4Å; N518-S536 PolarHBondContact OD1-OG 3.35Å
537	I	93.1	Very high	87.4	Confident	26 Å²	26	66.6 Å²	66.6	13%	0.133	39%	0.392	C	S	.	.			trans	-133.3	150.5	-175.5	-171.1	60.6	0	0	0	111.8	N518 F535 V539 F566 W581	N518-I537 PolarHBondContact ND2-O 2.78Å; N518-I537 PolarHBondContact OD1-N 3.05Å; N518-I537 PolarHBondContact OD1-O 3.31Å; F535-I537 HydrophobicContact CE1-CB 3.87Å; F535-I537 HydrophobicContact CE1-CG2 4.09Å; F535-I537 HydrophobicContact CZ-CB 3.93Å; F535-I537 HydrophobicContact CZ-CD1 4.37Å; F535-I537 HydrophobicContact CZ-CG1 4.39Å; I537-V539 HydrophobicContact CG1-CG2 4.49Å; I537-F566 HydrophobicContact CB-CE1 4.4Å; I537-F566 HydrophobicContact CB-CZ 4.36Å; I537-F566 HydrophobicContact CG1-CD1 4.2Å; I537-F566 HydrophobicContact CG1-CE1 3.84Å; I537-F566 HydrophobicContact CG1-CZ 4.19Å; I537-F566 HydrophobicContact CG2-CD1 4.25Å; I537-F566 HydrophobicContact CG2-CD2 3.83Å; I537-F566 HydrophobicContact CG2-CE1 3.79Å; I537-F566 HydrophobicContact CG2-CE2 3.34Å; I537-F566 HydrophobicContact CG2-CG 4.26Å; I537-F566 HydrophobicContact CG2-CZ 3.31Å; I537-W581 HydrophobicContact CD1-CE3 4.06Å; I537-W581 HydrophobicContact CD1-CH2 3.99Å; I537-W581 HydrophobicContact CD1-CZ3 3.44Å; I537-W581 VanDerWaalsContact CD1-CZ3 3.44Å; I537-W581 HydrophobicContact CG1-CH2 4.37Å; I537-W581 HydrophobicContact CG1-CZ3 4.3Å
538	Q	93.7	Very high	87.3	Confident	52 Å²	52	65.9 Å²	65.9	24%	0.243	38%	0.384	C	S	.	.			trans	-119	119.2	173	-64.7	178	6.4	0	0	108.8	V475 L540	V475-Q538 PolarHBondContact O-NE2 3.23Å; V475-Q538 VanDerWaalsContact O-NE2 3.17Å; Q538-L540 HydrophobicContact CB-CD2 4.09Å; Q538-L540 HydrophobicContact CB-CG 4.44Å
539	V	93.8	Very high	87	Confident	28 Å²	28	70.9 Å²	70.9	17%	0.17	40%	0.401	C	S	.	.			trans	-101.1	112	179.5	179.8	0	0	0	0	108.6	S514 L517 I537 F566 Y570 L579	S514-V539 PolarHBondContact OG-N 3.37Å; S514-V539 PolarHBondContact OG-O 3.01Å; S514-V539 VanDerWaalsContact OG-O 3.1Å; L517-V539 HydrophobicContact CD2-CB 3.97Å; L517-V539 HydrophobicContact CD2-CG2 3.47Å; L517-V539 VanDerWaalsContact CD2-CG2 3.47Å; I537-V539 HydrophobicContact CG1-CG2 4.49Å; V539-F566 HydrophobicContact CG2-CE1 4.03Å; V539-F566 HydrophobicContact CG2-CZ 3.85Å; V539-Y570 HydrophobicContact CG1-CE2 3.85Å; V539-Y570 HydrophobicContact CG2-CD2 4.46Å; V539-Y570 HydrophobicContact CG2-CE2 4.22Å; V539-L579 HydrophobicContact CG1-CD2 4.19Å
540	L	94.2	Very high	86.5	Confident	46 Å²	46	66.9 Å²	66.9	24%	0.241	39%	0.387	C	S	.	.			trans	-114.8	141.7	-168.9	-50.6	-177.7	0	0	0	110.6	V475 D510 I511 Q538 S542 W545 F547	V475-L540 HydrophobicContact CG2-CD1 3.98Å; D510-L540 HydrophobicContact CB-CD2 4.44Å; I511-L540 HydrophobicContact CD1-CD2 4.19Å; Q538-L540 HydrophobicContact CB-CD2 4.09Å; Q538-L540 HydrophobicContact CB-CG 4.44Å; L540-S542 PolarHBondContact O-N 2.88Å; L540-W545 HydrophobicContact CB-CD2 4.08Å; L540-W545 HydrophobicContact CB-CG 4.02Å; L540-W545 HydrophobicContact CD1-CD2 3.84Å; L540-W545 HydrophobicContact CD1-CE3 3.86Å; L540-W545 HydrophobicContact CD1-CG 4.42Å; L540-W545 HydrophobicContact CD1-CH2 4.22Å; L540-W545 HydrophobicContact CD1-CZ2 4.23Å; L540-W545 HydrophobicContact CD1-CZ3 4.04Å; L540-W545 HydrophobicContact CD2-CD2 4.45Å; L540-W545 HydrophobicContact CD2-CH2 4.04Å; L540-W545 HydrophobicContact CD2-CZ2 3.55Å; L540-W545 HydrophobicContact CG-CD2 4.34Å; L540-W545 HydrophobicContact CG-CZ2 4.31Å; L540-F547 HydrophobicContact CD1-CD2 4.24Å; L540-F547 HydrophobicContact CD1-CE2 3.81Å
541	S	93	Very high	86.2	Confident	34 Å²	34	63.4 Å²	63.4	24%	0.238	37%	0.365	C	S	.	.			trans	-74.2	121.3	178.6	61.7	0	0	0	0	112.1	D510 G543 S544 W545	D510-S541 VanDerWaalsContact OD2-CB 3.24Å; D510-S541 WeakPolarHBondContact OD2-CB 3.24Å; D510-S541 PolarHBondContact OD2-N 3.41Å; D510-S541 PolarHBondContact OD2-OG 3.08Å; S541-G543 PolarHBondContact O-N 2.95Å; S541-G543 VanDerWaalsContact O-N 3.08Å; S541-S544 PolarHBondContact O-N 3.19Å; S541-S544 VanDerWaalsContact O-N 3.13Å; S541-S544 VanDerWaalsContact OG-CB 3.31Å; S541-S544 WeakPolarHBondContact OG-CB 3.44Å; S541-S544 PolarHBondContact OG-OG 3.45Å; S541-W545 PolarHBondContact O-N 3.38Å
542	S	88.3	Confident	86	Confident	123 Å²	123	66.6 Å²	66.6	86%	0.86	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.4	-174.4	55.9	0	0	0	0	114.7	L540	L540-S542 PolarHBondContact O-N 2.88Å
543	G	87.4	Confident	86.3	Confident	56 Å²	56	61.5 Å²	61.5	58%	0.577	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.8	-178.8	0	0	0	0	0	115.9	S541	S541-G543 PolarHBondContact O-N 2.95Å; S541-G543 VanDerWaalsContact O-N 3.08Å
544	S	89.9	Confident	86.4	Confident	24 Å²	24	60.7 Å²	60.7	17%	0.168	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-23.9	-173.8	-46.7	0	0	0	0	112.9	R506 S541	R506-S544 WeakPolarHBondContact CG-OG 3.36Å; S541-S544 PolarHBondContact O-N 3.19Å; S541-S544 VanDerWaalsContact O-N 3.13Å; S541-S544 VanDerWaalsContact OG-CB 3.31Å; S541-S544 WeakPolarHBondContact OG-CB 3.44Å; S541-S544 PolarHBondContact OG-OG 3.45Å
545	W	91.8	Very high	86.5	Confident	16 Å²	16	55.3 Å²	55.3	6%	0.061	33%	0.329	C	S	.	.	S	Bend	trans	-99.6	138.7	-173.6	-69.5	76.7	0	0	0	111.4	A471 L474 V475 M507 D510 I511 L540 S541 F547	A471-W545 HydrophobicContact CB-CE3 3.78Å; A471-W545 HydrophobicContact CB-CZ3 3.88Å; L474-W545 HydrophobicContact CB-CH2 3.9Å; L474-W545 HydrophobicContact CB-CZ3 4.35Å; L474-W545 HydrophobicContact CD1-CH2 3.99Å; V475-W545 HydrophobicContact CG2-CE3 4.44Å; V475-W545 HydrophobicContact CG2-CH2 4.26Å; V475-W545 HydrophobicContact CG2-CZ3 3.7Å; M507-W545 HydrophobicContact CB-CD2 4.45Å; M507-W545 HydrophobicContact CB-CH2 4.15Å; M507-W545 HydrophobicContact CB-CZ2 3.67Å; M507-W545 HydrophobicContact CE-CD2 4.3Å; M507-W545 HydrophobicContact CE-CE3 3.86Å; M507-W545 HydrophobicContact CE-CH2 4.25Å; M507-W545 HydrophobicContact CE-CZ3 3.84Å; M507-W545 HydrophobicContact CG-CD2 3.83Å; M507-W545 HydrophobicContact CG-CE3 4.32Å; M507-W545 HydrophobicContact CG-CG 4.17Å; M507-W545 HydrophobicContact CG-CH2 4.49Å; M507-W545 HydrophobicContact CG-CZ2 3.99Å; M507-W545 WeakPolarHBondContact O-CZ2 3.3Å; D510-W545 HydrophobicContact CB-CZ2 4.29Å; D510-W545 PolarHBondContact OD2-NE1 3.07Å; I511-W545 HydrophobicContact CD1-CH2 3.85Å; I511-W545 HydrophobicContact CD1-CZ2 4.15Å; I511-W545 HydrophobicContact CG1-CH2 4.07Å; I511-W545 HydrophobicContact CG1-CZ2 4.19Å; L540-W545 HydrophobicContact CB-CD2 4.08Å; L540-W545 HydrophobicContact CB-CG 4.02Å; L540-W545 HydrophobicContact CD1-CD2 3.84Å; L540-W545 HydrophobicContact CD1-CE3 3.86Å; L540-W545 HydrophobicContact CD1-CG 4.42Å; L540-W545 HydrophobicContact CD1-CH2 4.22Å; L540-W545 HydrophobicContact CD1-CZ2 4.23Å; L540-W545 HydrophobicContact CD1-CZ3 4.04Å; L540-W545 HydrophobicContact CD2-CD2 4.45Å; L540-W545 HydrophobicContact CD2-CH2 4.04Å; L540-W545 HydrophobicContact CD2-CZ2 3.55Å; L540-W545 HydrophobicContact CG-CD2 4.34Å; L540-W545 HydrophobicContact CG-CZ2 4.31Å; S541-W545 PolarHBondContact O-N 3.38Å; W545-F547 HydrophobicContact CB-CD2 4.01Å; W545-F547 HydrophobicContact CB-CE2 4.4Å; W545-F547 HydrophobicContact CD2-CE2 4.15Å; W545-F547 HydrophobicContact CE3-CD2 4.05Å; W545-F547 AromaticContact CE3-CE2 3.27Å; W545-F547 HydrophobicContact CE3-CE2 3.27Å; W545-F547 AromaticContact CE3-CZ 3.77Å; W545-F547 HydrophobicContact CE3-CZ 3.77Å; W545-F547 AromaticContact CZ3-CE2 3.86Å; W545-F547 HydrophobicContact CZ3-CE2 3.86Å; W545-F547 HydrophobicContact CZ3-CZ 4.1Å; W545-F547 PolarHBondContact O-N 3.19Å; W545-F547 VanDerWaalsContact O-N 3.1Å
546	P	86.4	Confident	86.5	Confident	56 Å²	56	54.1 Å²	54.1	36%	0.364	33%	0.325	S	S	.	.			trans	-82.9	22.4	-174.7	33.8	-34.5	0	0	0	113.5	K468 A471	K468-P546 HydrophobicContact CB-CG 4.39Å; A471-P546 HydrophobicContact CB-CG 3.75Å
547	F	83.7	Confident	86.5	Confident	47 Å²	47	54.7 Å²	54.7	21%	0.206	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-88.8	138.5	-175.5	-56.4	-43.6	0	0	0	111.8	A471 V475 L540 W545 L582 L585	A471-F547 HydrophobicContact CB-CE1 3.86Å; A471-F547 HydrophobicContact CB-CE2 4.44Å; A471-F547 HydrophobicContact CB-CZ 3.62Å; V475-F547 HydrophobicContact CG2-CE2 3.72Å; V475-F547 HydrophobicContact CG2-CZ 3.72Å; L540-F547 HydrophobicContact CD1-CD2 4.24Å; L540-F547 HydrophobicContact CD1-CE2 3.81Å; W545-F547 HydrophobicContact CB-CD2 4.01Å; W545-F547 HydrophobicContact CB-CE2 4.4Å; W545-F547 HydrophobicContact CD2-CE2 4.15Å; W545-F547 HydrophobicContact CE3-CD2 4.05Å; W545-F547 AromaticContact CE3-CE2 3.27Å; W545-F547 HydrophobicContact CE3-CE2 3.27Å; W545-F547 AromaticContact CE3-CZ 3.77Å; W545-F547 HydrophobicContact CE3-CZ 3.77Å; W545-F547 AromaticContact CZ3-CE2 3.86Å; W545-F547 HydrophobicContact CZ3-CE2 3.86Å; W545-F547 HydrophobicContact CZ3-CZ 4.1Å; W545-F547 PolarHBondContact O-N 3.19Å; W545-F547 VanDerWaalsContact O-N 3.1Å; F547-L582 HydrophobicContact CB-CD1 3.69Å; F547-L582 HydrophobicContact CD2-CD1 3.96Å; F547-L582 HydrophobicContact CG-CD1 4.17Å; F547-L585 HydrophobicContact CB-CD1 4.17Å; F547-L585 HydrophobicContact CD1-CD1 3.6Å; F547-L585 HydrophobicContact CD2-CD1 3.53Å; F547-L585 HydrophobicContact CE1-CD1 3.75Å; F547-L585 HydrophobicContact CE1-CD2 4.41Å; F547-L585 HydrophobicContact CE2-CD1 3.65Å; F547-L585 HydrophobicContact CG-CD1 3.5Å; F547-L585 VanDerWaalsContact CG-CD1 3.5Å; F547-L585 HydrophobicContact CZ-CD1 3.77Å
548	Q	77.5	Confident	86.3	Confident	129 Å²	129	57.6 Å²	57.6	60%	0.603	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-87.9	156	173.8	-66.6	-178.3	-20	0	0	110.7	L582 Q584	Q548-L582 WeakPolarHBondContact O-CD2 3.31Å; Q548-Q584 PolarHBondContact O-NE2 2.74Å
549	Q	71.5	Confident	86.2	Confident	156 Å²	156	56.7 Å²	56.7	73%	0.729	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-57.9	142.9	174.1	-93.4	177.2	-9	0	0	111.5	T580	Q549-T580 HydrophobicContact CG-CG2 3.94Å
550	S	68	Low	86.1	Confident	34 Å²	34	59.3 Å²	59.3	24%	0.238	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64	154.9	-179.5	-62.1	0	0	0	0	113.3	W581 L582 Q584	S550-W581 PolarHBondContact OG-O 2.84Å; S550-L582 VanDerWaalsContact OG-CA 3.28Å; S550-L582 WeakPolarHBondContact OG-CA 3.47Å; S550-Q584 PolarHBondContact OG-OE1 3.43Å
551	C	71.5	Confident	85.9	Confident	30 Å²	30	60.9 Å²	60.9	20%	0.203	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.1	163.9	162.9	47.3	0	0	0	0	111.4	F553	C551-F553 PolarHBondContact O-N 3.06Å
552	T	78.3	Confident	85.8	Confident	94 Å²	94	59.4 Å²	59.4	58%	0.577	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-53.6	133.6	164.8	45.7	0	0	0	0	109.1	Q630	T552-Q630 CarbonylContact C-O 3.53Å; T552-Q630 PolarHBondContact OG1-O 3.36Å
553	F	89.1	Confident	86	Confident	27 Å²	27	57.1 Å²	57.1	12%	0.118	31%	0.314	C	S	.	.			trans	-156.5	127.6	-177.8	175	-111	0	0	0	108.9	C551 L555 Y583 T605 F606 A609 I631	C551-F553 PolarHBondContact O-N 3.06Å; F553-L555 HydrophobicContact CE1-CD1 4Å; F553-Y583 HydrophobicContact CB-CD2 4.17Å; F553-Y583 HydrophobicContact CD1-CD1 4.14Å; F553-Y583 AromaticContact CD1-CD2 3.52Å; F553-Y583 HydrophobicContact CD1-CD2 3.52Å; F553-Y583 HydrophobicContact CD1-CE2 4Å; F553-Y583 AromaticContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CE1-CD1 4.17Å; F553-Y583 HydrophobicContact CE1-CD2 4.34Å; F553-Y583 AromaticContact CE1-CG 3.98Å; F553-Y583 HydrophobicContact CE1-CG 3.98Å; F553-Y583 HydrophobicContact CG-CD2 4.23Å; F553-Y583 HydrophobicContact CG-CG 4.47Å; F553-T605 HydrophobicContact CE1-CG2 3.76Å; F553-T605 HydrophobicContact CZ-CG2 3.72Å; F553-F606 HydrophobicContact CB-CE1 4.45Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.73Å; F553-F606 HydrophobicContact CD2-CE1 3.73Å; F553-F606 AromaticContact CE2-CD1 3.67Å; F553-F606 HydrophobicContact CE2-CD1 3.67Å; F553-F606 HydrophobicContact CE2-CE1 4.09Å; F553-F606 HydrophobicContact CG-CD1 4.45Å; F553-F606 HydrophobicContact CG-CE1 4.04Å; F553-F606 HydrophobicContact CZ-CD1 4.29Å; F553-A609 HydrophobicContact CE2-CB 3.56Å; F553-A609 HydrophobicContact CZ-CB 3.66Å; F553-I631 HydrophobicContact CD2-CD1 4.27Å; F553-I631 HydrophobicContact CD2-CG1 3.78Å; F553-I631 HydrophobicContact CE2-CD1 4.11Å; F553-I631 HydrophobicContact CE2-CG1 4.14Å
554	A	91.7	Very high	86.1	Confident	37 Å²	37	59.6 Å²	59.6	31%	0.306	31%	0.311	S	S	.	.			trans	-83.7	113.8	171.7	0	0	0	0	0	108.5	P556 S628 T629 Q630	A554-P556 WeakPolarHBondContact O-CD 3.48Å; A554-S628 WeakPolarHBondContact CB-O 3.36Å; A554-T629 PolarHBondContact N-O 3.42Å; A554-Q630 HydrophobicContact CB-CB 4.3Å; A554-Q630 HydrophobicContact CB-CG 4.16Å
555	L	90.3	Very high	86.2	Confident	35 Å²	35	64 Å²	64	18%	0.183	32%	0.323	C	S	.	.			trans	-69	128.7	179.3	-173.8	67.5	0	0	0	109.3	F553 L559 E560 Y563 Y583	F553-L555 HydrophobicContact CE1-CD1 4Å; L555-L559 HydrophobicContact CD1-CB 3.79Å; L555-L559 HydrophobicContact CD1-CD1 3.97Å; L555-L559 HydrophobicContact CD2-CB 4.26Å; L555-L559 HydrophobicContact CG-CB 3.95Å; L555-E560 HydrophobicContact CD2-CB 4.35Å; L555-Y563 HydrophobicContact CD2-CD2 4.45Å; L555-Y563 HydrophobicContact CD2-CG 4.04Å; L555-Y583 HydrophobicContact CD1-CD1 4.22Å; L555-Y583 HydrophobicContact CD1-CE1 3.71Å
556	P	91.5	Very high	86.3	Confident	10 Å²	10	63.2 Å²	63.2	7%	0.065	32%	0.321	C	S	.	.			trans	-57.7	142.3	174.3	-26.9	36.1	0	0	0	111.8	A554 E558 L559 E560 A609 L612	A554-P556 WeakPolarHBondContact O-CD 3.48Å; P556-E558 PolarHBondContact O-N 2.9Å; P556-E558 VanDerWaalsContact O-N 3.11Å; P556-L559 PolarHBondContact O-N 2.82Å; P556-E560 PolarHBondContact O-N 3Å; P556-A609 HydrophobicContact CG-CB 3.74Å; P556-L612 HydrophobicContact CB-CD1 3.66Å; P556-L612 HydrophobicContact CG-CD1 4.05Å
557	S	91	Very high	86.6	Confident	89 Å²	89	62.5 Å²	62.5	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-54.6	-34.5	-175.1	64.8	0	0	0	0	113.3	L559 E560	S557-L559 PolarHBondContact O-N 2.87Å; S557-E560 PolarHBondContact O-N 3.29Å
558	E	90.3	Very high	86.9	Confident	86 Å²	86	63.3 Å²	63.3	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-28	178.9	-62	89	154.8	0	0	112.3	L533 P556	L533-E558 VanDerWaalsContact CD2-O 3.25Å; L533-E558 WeakPolarHBondContact CD2-O 3.26Å; P556-E558 PolarHBondContact O-N 2.9Å; P556-E558 VanDerWaalsContact O-N 3.11Å
559	L	91.4	Very high	87.6	Confident	33 Å²	33	57.3 Å²	57.3	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-94.1	-17.5	-180	-57.5	-174.8	0	0	0	112.7	L533 L555 P556 S557 R561 S562 Y563 T605 M608	L533-L559 HydrophobicContact CD2-CD2 3.83Å; L555-L559 HydrophobicContact CD1-CB 3.79Å; L555-L559 HydrophobicContact CD1-CD1 3.97Å; L555-L559 HydrophobicContact CD2-CB 4.26Å; L555-L559 HydrophobicContact CG-CB 3.95Å; P556-L559 PolarHBondContact O-N 2.82Å; S557-L559 PolarHBondContact O-N 2.87Å; L559-R561 PolarHBondContact O-N 3.42Å; L559-S562 PolarHBondContact O-N 2.74Å; L559-Y563 PolarHBondContact O-N 2.77Å; L559-Y563 VanDerWaalsContact O-N 3.09Å; L559-T605 HydrophobicContact CD1-CG2 4.3Å; L559-M608 HydrophobicContact CD1-CE 4.44Å; L559-M608 HydrophobicContact CD2-CE 4.38Å
560	E	90.9	Very high	88.7	Confident	84 Å²	84	50.5 Å²	50.5	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-38.8	-170.8	-174.5	154.8	-163.5	0	0	112.8	L555 P556 S557 S562 Y563 Q564	L555-E560 HydrophobicContact CD2-CB 4.35Å; P556-E560 PolarHBondContact O-N 3Å; S557-E560 PolarHBondContact O-N 3.29Å; E560-S562 VanDerWaalsContact C-N 3.32Å; E560-S562 PolarHBondContact O-N 3.2Å; E560-Y563 WeakPolarHBondContact O-CB 3.36Å; E560-Y563 PolarHBondContact O-N 2.86Å; E560-Q564 HydrophobicContact CG-CG 4.26Å; E560-Q564 WeakPolarHBondContact O-CG 3.44Å; E560-Q564 PolarHBondContact O-N 3.42Å; E560-Q564 PolarHBondContact OE1-NE2 2.85Å
561	R	90.9	Very high	89.9	Confident	78 Å²	78	51.8 Å²	51.8	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-43.9	175.8	-169	177.6	-172.5	-173.3	2.7	111.8	E529 L531 D532 L559 Q564 R565	E529-R561 IonicContact OE2-NH2 3.74Å; E529-R561 PolarHBondContact OE2-NH2 2.98Å; L531-R561 HydrophobicContact CD2-CG 4.44Å; D532-R561 IonicContact OD1-NH1 2.68Å; D532-R561 PolarHBondContact OD1-NH1 2.96Å; D532-R561 IonicContact OD2-CZ 3.65Å; D532-R561 IonicContact OD2-NH1 2.83Å; D532-R561 PolarHBondContact OD2-NH1 3.27Å; L559-R561 PolarHBondContact O-N 3.42Å; R561-Q564 PolarHBondContact O-N 2.91Å; R561-R565 WeakPolarHBondContact O-CB 3.36Å; R561-R565 VanDerWaalsContact O-CG 3.23Å; R561-R565 WeakPolarHBondContact O-CG 3.26Å; R561-R565 PolarHBondContact O-N 3.3Å
562	S	91.1	Very high	90.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-43.4	178.9	-61.6	0	0	0	0	111.6	L559 E560 F566	L559-S562 PolarHBondContact O-N 2.74Å; E560-S562 VanDerWaalsContact C-N 3.32Å; E560-S562 PolarHBondContact O-N 3.2Å; S562-F566 WeakPolarHBondContact O-CB 3.32Å; S562-F566 PolarHBondContact O-N 3.13Å
563	Y	91.1	Very high	91.4	Very high	76 Å²	76	56 Å²	56	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-57.5	-50.4	174.5	164.4	-90.9	0	0	0	112.2	L555 L559 E560 T567 W581	L555-Y563 HydrophobicContact CD2-CD2 4.45Å; L555-Y563 HydrophobicContact CD2-CG 4.04Å; L559-Y563 PolarHBondContact O-N 2.77Å; L559-Y563 VanDerWaalsContact O-N 3.09Å; E560-Y563 WeakPolarHBondContact O-CB 3.36Å; E560-Y563 PolarHBondContact O-N 2.86Å; Y563-T567 VanDerWaalsContact O-CB 3.3Å; Y563-T567 WeakPolarHBondContact O-CB 3.28Å; Y563-T567 PolarHBondContact O-N 2.86Å; Y563-T567 PolarHBondContact O-OG1 2.83Å; Y563-W581 AromaticContact CD2-CD2 3.73Å; Y563-W581 HydrophobicContact CD2-CD2 3.73Å; Y563-W581 AromaticContact CD2-CE2 3.39Å; Y563-W581 HydrophobicContact CD2-CE3 4.2Å; Y563-W581 HydrophobicContact CD2-CG 4.19Å; Y563-W581 HydrophobicContact CD2-CH2 4.05Å; Y563-W581 AromaticContact CD2-CZ2 3.57Å; Y563-W581 HydrophobicContact CD2-CZ2 3.57Å; Y563-W581 HydrophobicContact CD2-CZ3 4.34Å; Y563-W581 AromaticContact CD2-NE1 3.68Å; Y563-W581 AromaticContact CE2-CD1 3.45Å; Y563-W581 VanDerWaalsContact CE2-CD1 3.45Å; Y563-W581 AromaticContact CE2-CD2 3.85Å; Y563-W581 HydrophobicContact CE2-CD2 3.85Å; Y563-W581 AromaticContact CE2-CE2 3.43Å; Y563-W581 VanDerWaalsContact CE2-CE2 3.43Å; Y563-W581 AromaticContact CE2-CG 3.86Å; Y563-W581 HydrophobicContact CE2-CG 3.86Å; Y563-W581 AromaticContact CE2-CZ2 3.99Å; Y563-W581 HydrophobicContact CE2-CZ2 3.99Å; Y563-W581 AromaticContact CE2-NE1 3.16Å; Y563-W581 HydrophobicContact CG-CZ2 4.43Å
564	Q	91.3	Very high	91.4	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-46.8	-177.2	-70.2	177.5	1.7	0	0	111.1	E560 R561 T567 A568	E560-Q564 HydrophobicContact CG-CG 4.26Å; E560-Q564 WeakPolarHBondContact O-CG 3.44Å; E560-Q564 PolarHBondContact O-N 3.42Å; E560-Q564 PolarHBondContact OE1-NE2 2.85Å; R561-Q564 PolarHBondContact O-N 2.91Å; Q564-T567 PolarHBondContact O-N 3Å; Q564-A568 WeakPolarHBondContact O-CB 3.49Å; Q564-A568 PolarHBondContact O-N 3.08Å
565	R	91.4	Very high	91.3	Very high	115 Å²	115	61 Å²	61	43%	0.434	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-45.2	179.6	-71.1	-68.3	-172	-179.5	2.4	112	F521 L531 R561 F569	F521-R565 HydrophobicContact CZ-CB 4.32Å; L531-R565 HydrophobicContact CD2-CB 4.45Å; L531-R565 HydrophobicContact CD2-CG 4.27Å; R561-R565 WeakPolarHBondContact O-CB 3.36Å; R561-R565 VanDerWaalsContact O-CG 3.23Å; R561-R565 WeakPolarHBondContact O-CG 3.26Å; R561-R565 PolarHBondContact O-N 3.3Å; R565-F569 WeakPolarHBondContact O-CB 3.29Å; R565-F569 PolarHBondContact O-N 2.95Å
566	F	92.8	Very high	91.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-40.9	177.6	-176.3	-100.2	0	0	0	112	L517 F521 F535 I537 V539 S562 A568 F569 Y570 L579 W581	L517-F566 HydrophobicContact CD2-CE2 4.43Å; L517-F566 HydrophobicContact CD2-CZ 3.88Å; L517-F566 HydrophobicContact CG-CE2 4.42Å; L517-F566 HydrophobicContact CG-CZ 4.35Å; F521-F566 HydrophobicContact CB-CD2 4.47Å; F521-F566 HydrophobicContact CB-CE2 4.45Å; F521-F566 AromaticContact CD1-CD2 3.95Å; F521-F566 HydrophobicContact CD1-CD2 3.95Å; F521-F566 AromaticContact CD2-CD2 3.91Å; F521-F566 HydrophobicContact CD2-CD2 3.91Å; F521-F566 HydrophobicContact CE1-CB 4.35Å; F521-F566 HydrophobicContact CE1-CD2 4.1Å; F521-F566 HydrophobicContact CE2-CB 4.27Å; F521-F566 HydrophobicContact CE2-CD2 4.06Å; F521-F566 AromaticContact CG-CD2 3.84Å; F521-F566 HydrophobicContact CG-CD2 3.84Å; F521-F566 HydrophobicContact CG-CE2 4.31Å; F521-F566 HydrophobicContact CZ-CB 3.96Å; F521-F566 HydrophobicContact CZ-CD2 4.15Å; F535-F566 HydrophobicContact CE1-CB 3.82Å; F535-F566 HydrophobicContact CE1-CD2 4.12Å; F535-F566 AromaticContact CE1-CG 3.94Å; F535-F566 HydrophobicContact CE1-CG 3.94Å; F535-F566 HydrophobicContact CZ-CB 4.2Å; F535-F566 HydrophobicContact CZ-CG 4.41Å; I537-F566 HydrophobicContact CB-CE1 4.4Å; I537-F566 HydrophobicContact CB-CZ 4.36Å; I537-F566 HydrophobicContact CG1-CD1 4.2Å; I537-F566 HydrophobicContact CG1-CE1 3.84Å; I537-F566 HydrophobicContact CG1-CZ 4.19Å; I537-F566 HydrophobicContact CG2-CD1 4.25Å; I537-F566 HydrophobicContact CG2-CD2 3.83Å; I537-F566 HydrophobicContact CG2-CE1 3.79Å; I537-F566 HydrophobicContact CG2-CE2 3.34Å; I537-F566 HydrophobicContact CG2-CG 4.26Å; I537-F566 HydrophobicContact CG2-CZ 3.31Å; V539-F566 HydrophobicContact CG2-CE1 4.03Å; V539-F566 HydrophobicContact CG2-CZ 3.85Å; S562-F566 WeakPolarHBondContact O-CB 3.32Å; S562-F566 PolarHBondContact O-N 3.13Å; F566-A568 PolarHBondContact O-N 2.87Å; F566-F569 HydrophobicContact CD2-CD1 4.11Å; F566-F569 AromaticContact CE2-CD1 3.96Å; F566-F569 HydrophobicContact CE2-CD1 3.96Å; F566-F569 HydrophobicContact CE2-CE1 4.25Å; F566-F569 PolarHBondContact O-N 3.19Å; F566-Y570 HydrophobicContact CE1-CD2 4.46Å; F566-Y570 HydrophobicContact CZ-CD2 4.21Å; F566-Y570 WeakPolarHBondContact O-CB 3.09Å; F566-Y570 PolarHBondContact O-N 2.91Å; F566-L579 HydrophobicContact CD1-CD1 4.3Å; F566-L579 HydrophobicContact CE1-CD1 4.07Å; F566-W581 HydrophobicContact CB-CH2 4.43Å; F566-W581 AromaticContact CD1-CH2 3.76Å; F566-W581 HydrophobicContact CD1-CH2 3.76Å; F566-W581 AromaticContact CD1-CZ2 3.86Å; F566-W581 HydrophobicContact CD1-CZ2 3.86Å; F566-W581 HydrophobicContact CG-CH2 4.45Å
567	T	92.5	Very high	91.3	Very high	41 Å²	41	70.9 Å²	70.9	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-43.8	178.4	-60.4	0	0	0	0	111.5	Y563 Q564 Y570 A571	Y563-T567 VanDerWaalsContact O-CB 3.3Å; Y563-T567 WeakPolarHBondContact O-CB 3.28Å; Y563-T567 PolarHBondContact O-N 2.86Å; Y563-T567 PolarHBondContact O-OG1 2.83Å; Q564-T567 PolarHBondContact O-N 3Å; T567-Y570 PolarHBondContact O-N 2.7Å; T567-A571 WeakPolarHBondContact O-CB 3.41Å; T567-A571 PolarHBondContact O-N 3.16Å
568	A	91.2	Very high	91.2	Very high	64 Å²	64	75.7 Å²	75.7	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-45.5	175.7	0	0	0	0	0	112	Q564 F566 Y570 A571 S572	Q564-A568 WeakPolarHBondContact O-CB 3.49Å; Q564-A568 PolarHBondContact O-N 3.08Å; F566-A568 PolarHBondContact O-N 2.87Å; A568-Y570 PolarHBondContact O-N 2.84Å; A568-A571 PolarHBondContact O-N 3.19Å; A568-S572 PolarHBondContact O-N 3.2Å
569	F	92.6	Very high	91.2	Very high	3 Å²	3	73.6 Å²	73.6	1%	0.013	39%	0.392	C	S	.	.	H	α-helix	trans	-57.1	-48.9	174.8	166.5	-100.5	0	0	0	111.7	L517 Q520 F521 H524 R565 F566 S572 R573	L517-F569 HydrophobicContact CD1-CE1 3.77Å; L517-F569 HydrophobicContact CD1-CZ 4.37Å; L517-F569 HydrophobicContact CG-CE1 4.45Å; Q520-F569 HydrophobicContact CB-CZ 4.04Å; F521-F569 HydrophobicContact CB-CD1 4.17Å; F521-F569 HydrophobicContact CB-CE1 3.78Å; F521-F569 HydrophobicContact CB-CZ 4.05Å; F521-F569 HydrophobicContact CD2-CB 3.84Å; F521-F569 AromaticContact CD2-CD1 3.49Å; F521-F569 HydrophobicContact CD2-CD1 3.49Å; F521-F569 VanDerWaalsContact CD2-CD1 3.49Å; F521-F569 AromaticContact CD2-CD2 3.99Å; F521-F569 HydrophobicContact CD2-CD2 3.99Å; F521-F569 AromaticContact CD2-CE1 3.97Å; F521-F569 HydrophobicContact CD2-CE1 3.97Å; F521-F569 HydrophobicContact CD2-CE2 4.4Å; F521-F569 AromaticContact CD2-CG 3.5Å; F521-F569 HydrophobicContact CD2-CG 3.5Å; F521-F569 HydrophobicContact CD2-CZ 4.4Å; F521-F569 HydrophobicContact CE2-CB 3.83Å; F521-F569 HydrophobicContact CE2-CD1 4.27Å; F521-F569 HydrophobicContact CE2-CG 4.04Å; F521-F569 HydrophobicContact CG-CD1 4.19Å; F521-F569 HydrophobicContact CG-CE1 4.3Å; H524-F569 HydrophobicContact CB-CD2 3.91Å; H524-F569 HydrophobicContact CB-CE2 3.76Å; H524-F569 AromaticContact CD2-CD2 3.61Å; H524-F569 AromaticContact CG-CD2 3.68Å; H524-F569 AromaticContact CG-CE2 4Å; R565-F569 WeakPolarHBondContact O-CB 3.29Å; R565-F569 PolarHBondContact O-N 2.95Å; F566-F569 HydrophobicContact CD2-CD1 4.11Å; F566-F569 AromaticContact CE2-CD1 3.96Å; F566-F569 HydrophobicContact CE2-CD1 3.96Å; F566-F569 HydrophobicContact CE2-CE1 4.25Å; F566-F569 PolarHBondContact O-N 3.19Å; F569-S572 PolarHBondContact O-N 3.21Å; F569-S572 PolarHBondContact O-OG 2.93Å; F569-R573 PolarHBondContact O-N 3.1Å
570	Y	94.1	Very high	91.2	Very high	14 Å²	14	75.9 Å²	75.9	6%	0.055	41%	0.407	C	S	.	.	H	α-helix	trans	-64.3	-44.1	-179	-171.8	-94.9	0	0	0	111.9	L517 V539 F566 T567 A568 S572 R573 H574 R577 L579	L517-Y570 HydrophobicContact CD2-CD2 3.97Å; L517-Y570 HydrophobicContact CD2-CE2 3.98Å; V539-Y570 HydrophobicContact CG1-CE2 3.85Å; V539-Y570 HydrophobicContact CG2-CD2 4.46Å; V539-Y570 HydrophobicContact CG2-CE2 4.22Å; F566-Y570 HydrophobicContact CE1-CD2 4.46Å; F566-Y570 HydrophobicContact CZ-CD2 4.21Å; F566-Y570 WeakPolarHBondContact O-CB 3.09Å; F566-Y570 PolarHBondContact O-N 2.91Å; T567-Y570 PolarHBondContact O-N 2.7Å; A568-Y570 PolarHBondContact O-N 2.84Å; Y570-S572 VanDerWaalsContact C-N 3.29Å; Y570-S572 PolarHBondContact O-N 3.13Å; Y570-R573 PolarHBondContact O-N 3.39Å; Y570-H574 HydrophobicContact CD1-CB 4.45Å; Y570-H574 AromaticContact CD2-CD2 3.66Å; Y570-H574 HydrophobicContact CE1-CB 4.05Å; Y570-H574 AromaticContact CE2-CD2 3.33Å; Y570-H574 WeakPolarHBondContact CE2-CD2 2.79Å; Y570-H574 AromaticContact CZ-CD2 3.7Å; Y570-H574 PolarHBondContact O-N 3.29Å; Y570-R577 HydrophobicContact CE1-CB 3.99Å; Y570-R577 WeakPolarHBondContact OH-CD 3.13Å; Y570-L579 HydrophobicContact CD1-CD1 3.74Å; Y570-L579 HydrophobicContact CD1-CD2 3.78Å; Y570-L579 HydrophobicContact CD1-CG 3.65Å; Y570-L579 HydrophobicContact CE1-CD1 4.42Å; Y570-L579 HydrophobicContact CE1-CD2 3.6Å; Y570-L579 HydrophobicContact CE1-CG 3.88Å; Y570-L579 HydrophobicContact CE2-CD2 4.4Å; Y570-L579 HydrophobicContact CG-CD1 3.89Å; Y570-L579 HydrophobicContact CG-CD2 4.24Å; Y570-L579 HydrophobicContact CG-CG 4.25Å
571	A	92.2	Very high	91.1	Very high	61 Å²	61	73.7 Å²	73.7	50%	0.504	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-36	177.6	0	0	0	0	0	112.5	T567 A568 R573	T567-A571 WeakPolarHBondContact O-CB 3.41Å; T567-A571 PolarHBondContact O-N 3.16Å; A568-A571 PolarHBondContact O-N 3.19Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 2.83Å
572	S	91	Very high	91.1	Very high	94 Å²	94	71.9 Å²	71.9	66%	0.657	39%	0.391	S	S	*	.	H	α-helix	trans	-66.2	-28.8	177.9	76.9	0	0	0	0	113.6	A568 F569 Y570	A568-S572 PolarHBondContact O-N 3.2Å; F569-S572 PolarHBondContact O-N 3.21Å; F569-S572 PolarHBondContact O-OG 2.93Å; Y570-S572 VanDerWaalsContact C-N 3.29Å; Y570-S572 PolarHBondContact O-N 3.13Å
573	R	90.3	Very high	91.1	Very high	117 Å²	117	73.5 Å²	73.5	44%	0.442	40%	0.397	S	S	.	.	H	α-helix	trans	-96.7	-29.5	-178.5	-69.2	-170.2	178.9	-148.5	-1.2	113.8	Q520 F569 Y570 A571	Q520-R573 VanDerWaalsContact CD-NH1 3.29Å; F569-R573 PolarHBondContact O-N 3.1Å; Y570-R573 PolarHBondContact O-N 3.39Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 2.83Å
574	H	90.8	Very high	90.7	Very high	55 Å²	55	72.5 Å²	72.5	26%	0.255	40%	0.395	S	S	.	.	S	Bend	trans	-125.2	82.5	-172.7	-62.5	-60.6	0	0	0	111	Y570 R577	Y570-H574 HydrophobicContact CD1-CB 4.45Å; Y570-H574 AromaticContact CD2-CD2 3.66Å; Y570-H574 HydrophobicContact CE1-CB 4.05Å; Y570-H574 AromaticContact CE2-CD2 3.33Å; Y570-H574 WeakPolarHBondContact CE2-CD2 2.79Å; Y570-H574 AromaticContact CZ-CD2 3.7Å; Y570-H574 PolarHBondContact O-N 3.29Å; H574-R577 HydrophobicContact CB-CB 4.36Å; H574-R577 HydrophobicContact CB-CG 4.24Å
575	S	88.9	Confident	90.5	Very high	114 Å²	114	69 Å²	69	80%	0.797	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	141.6	173.4	58.2	0	0	0	0	111.4	R577	S575-R577 VanDerWaalsContact C-N 3.3Å; S575-R577 PolarHBondContact O-N 3.41Å
576	G	89.3	Confident	90.5	Very high	92 Å²	92	65.4 Å²	65.4	95%	0.948	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.5	178.9	0	0	0	0	0	115.9
577	R	91.7	Very high	90.4	Very high	161 Å²	161	71.1 Å²	71.1	61%	0.608	40%	0.397	S	S	*	.			trans	-104.2	141.3	175.5	-60.3	-166.3	-175.2	173.9	-1.8	111.6	Y570 H574 S575	Y570-R577 HydrophobicContact CE1-CB 3.99Å; Y570-R577 WeakPolarHBondContact OH-CD 3.13Å; H574-R577 HydrophobicContact CB-CB 4.36Å; H574-R577 HydrophobicContact CB-CG 4.24Å; S575-R577 VanDerWaalsContact C-N 3.3Å; S575-R577 PolarHBondContact O-N 3.41Å
578	K	89	Confident	90.5	Very high	191 Å²	191	70.2 Å²	70.2	83%	0.83	40%	0.396	S	S	*	.			trans	-113.9	130.4	174.6	-175.1	176.7	179.1	179.7	0	110.3
579	L	91.1	Very high	90.7	Very high	41 Å²	41	71.3 Å²	71.3	22%	0.215	39%	0.39	C	S	.	.			trans	-83.5	140.4	172.7	-67.3	176.1	0	0	0	110.6	V539 F566 Y570 W581	V539-L579 HydrophobicContact CG1-CD2 4.19Å; F566-L579 HydrophobicContact CD1-CD1 4.3Å; F566-L579 HydrophobicContact CE1-CD1 4.07Å; Y570-L579 HydrophobicContact CD1-CD1 3.74Å; Y570-L579 HydrophobicContact CD1-CD2 3.78Å; Y570-L579 HydrophobicContact CD1-CG 3.65Å; Y570-L579 HydrophobicContact CE1-CD1 4.42Å; Y570-L579 HydrophobicContact CE1-CD2 3.6Å; Y570-L579 HydrophobicContact CE1-CG 3.88Å; Y570-L579 HydrophobicContact CE2-CD2 4.4Å; Y570-L579 HydrophobicContact CG-CD1 3.89Å; Y570-L579 HydrophobicContact CG-CD2 4.24Å; Y570-L579 HydrophobicContact CG-CG 4.25Å; L579-W581 HydrophobicContact CD1-CZ2 4.34Å
580	T	90.2	Very high	90.8	Very high	81 Å²	81	72.5 Å²	72.5	50%	0.497	40%	0.397	S	S	.	.			trans	-125.7	119.1	168.6	-59.1	0	0	0	0	107	Q549	Q549-T580 HydrophobicContact CG-CG2 3.94Å
581	W	90.4	Very high	90.8	Very high	38 Å²	38	74.9 Å²	74.9	14%	0.144	41%	0.412	C	S	.	.			trans	-89.5	130.5	-170.8	-70.1	76.9	0	0	0	110.8	F535 I537 S550 Y563 F566 L579 Y583	F535-W581 HydrophobicContact CZ-CH2 4.07Å; F535-W581 HydrophobicContact CZ-CZ3 4.21Å; I537-W581 HydrophobicContact CD1-CE3 4.06Å; I537-W581 HydrophobicContact CD1-CH2 3.99Å; I537-W581 HydrophobicContact CD1-CZ3 3.44Å; I537-W581 VanDerWaalsContact CD1-CZ3 3.44Å; I537-W581 HydrophobicContact CG1-CH2 4.37Å; I537-W581 HydrophobicContact CG1-CZ3 4.3Å; S550-W581 PolarHBondContact OG-O 2.84Å; Y563-W581 AromaticContact CD2-CD2 3.73Å; Y563-W581 HydrophobicContact CD2-CD2 3.73Å; Y563-W581 AromaticContact CD2-CE2 3.39Å; Y563-W581 HydrophobicContact CD2-CE3 4.2Å; Y563-W581 HydrophobicContact CD2-CG 4.19Å; Y563-W581 HydrophobicContact CD2-CH2 4.05Å; Y563-W581 AromaticContact CD2-CZ2 3.57Å; Y563-W581 HydrophobicContact CD2-CZ2 3.57Å; Y563-W581 HydrophobicContact CD2-CZ3 4.34Å; Y563-W581 AromaticContact CD2-NE1 3.68Å; Y563-W581 AromaticContact CE2-CD1 3.45Å; Y563-W581 VanDerWaalsContact CE2-CD1 3.45Å; Y563-W581 AromaticContact CE2-CD2 3.85Å; Y563-W581 HydrophobicContact CE2-CD2 3.85Å; Y563-W581 AromaticContact CE2-CE2 3.43Å; Y563-W581 VanDerWaalsContact CE2-CE2 3.43Å; Y563-W581 AromaticContact CE2-CG 3.86Å; Y563-W581 HydrophobicContact CE2-CG 3.86Å; Y563-W581 AromaticContact CE2-CZ2 3.99Å; Y563-W581 HydrophobicContact CE2-CZ2 3.99Å; Y563-W581 AromaticContact CE2-NE1 3.16Å; Y563-W581 HydrophobicContact CG-CZ2 4.43Å; F566-W581 HydrophobicContact CB-CH2 4.43Å; F566-W581 AromaticContact CD1-CH2 3.76Å; F566-W581 HydrophobicContact CD1-CH2 3.76Å; F566-W581 AromaticContact CD1-CZ2 3.86Å; F566-W581 HydrophobicContact CD1-CZ2 3.86Å; F566-W581 HydrophobicContact CG-CH2 4.45Å; L579-W581 HydrophobicContact CD1-CZ2 4.34Å; W581-Y583 HydrophobicContact CB-CE1 3.97Å; W581-Y583 HydrophobicContact CB-CE2 4Å; W581-Y583 HydrophobicContact CE3-CE1 4.45Å
582	L	90.9	Very high	90.9	Very high	41 Å²	41	72.6 Å²	72.6	22%	0.215	39%	0.392	C	S	.	.			trans	-104.8	75.6	-177.2	-60.6	-178.9	0	0	0	111.7	F547 Q548 S550 Q584 L585 S586	F547-L582 HydrophobicContact CB-CD1 3.69Å; F547-L582 HydrophobicContact CD2-CD1 3.96Å; F547-L582 HydrophobicContact CG-CD1 4.17Å; Q548-L582 WeakPolarHBondContact O-CD2 3.31Å; S550-L582 VanDerWaalsContact OG-CA 3.28Å; S550-L582 WeakPolarHBondContact OG-CA 3.47Å; L582-Q584 VanDerWaalsContact C-N 3.3Å; L582-Q584 PolarHBondContact O-N 3.1Å; L582-L585 HydrophobicContact CB-CD1 4.16Å; L582-L585 HydrophobicContact CB-CG 4.45Å; L582-L585 HydrophobicContact CD1-CD1 3.91Å; L582-L585 PolarHBondContact O-N 3.43Å; L582-L585 VanDerWaalsContact O-N 3.14Å; L582-S586 PolarHBondContact O-N 3.45Å; L582-S586 PolarHBondContact O-OG 2.96Å; L582-S586 VanDerWaalsContact O-OG 3.07Å
583	Y	89.4	Confident	90.9	Very high	37 Å²	37	74.4 Å²	74.4	15%	0.145	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-63.1	-32.2	-173.8	-59.2	-63.4	0	0	0	113.7	F553 L555 W581 L585 S586 T605	F553-Y583 HydrophobicContact CB-CD2 4.17Å; F553-Y583 HydrophobicContact CD1-CD1 4.14Å; F553-Y583 AromaticContact CD1-CD2 3.52Å; F553-Y583 HydrophobicContact CD1-CD2 3.52Å; F553-Y583 HydrophobicContact CD1-CE2 4Å; F553-Y583 AromaticContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CE1-CD1 4.17Å; F553-Y583 HydrophobicContact CE1-CD2 4.34Å; F553-Y583 AromaticContact CE1-CG 3.98Å; F553-Y583 HydrophobicContact CE1-CG 3.98Å; F553-Y583 HydrophobicContact CG-CD2 4.23Å; F553-Y583 HydrophobicContact CG-CG 4.47Å; L555-Y583 HydrophobicContact CD1-CD1 4.22Å; L555-Y583 HydrophobicContact CD1-CE1 3.71Å; W581-Y583 HydrophobicContact CB-CE1 3.97Å; W581-Y583 HydrophobicContact CB-CE2 4Å; W581-Y583 HydrophobicContact CE3-CE1 4.45Å; Y583-L585 PolarHBondContact O-N 2.87Å; Y583-S586 WeakPolarHBondContact O-CB 3.45Å; Y583-S586 PolarHBondContact O-N 3.13Å; Y583-T605 HydrophobicContact CD1-CG2 4.45Å
584	Q	84.5	Confident	90.8	Very high	55 Å²	55	71.9 Å²	71.9	26%	0.257	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.7	177.3	72.8	-77.9	9.1	0	0	113.6	Q548 S550 L582 F606	Q548-Q584 PolarHBondContact O-NE2 2.74Å; S550-Q584 PolarHBondContact OG-OE1 3.43Å; L582-Q584 VanDerWaalsContact C-N 3.3Å; L582-Q584 PolarHBondContact O-N 3.1Å; Q584-F606 HydrophobicContact CB-CE2 3.71Å; Q584-F606 HydrophobicContact CB-CZ 3.72Å
585	L	86.8	Confident	90.7	Very high	35 Å²	35	70.3 Å²	70.3	18%	0.183	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-96.1	-5.2	176.3	-59.5	178	0	0	0	112.4	F547 L582 Y583	F547-L585 HydrophobicContact CB-CD1 4.17Å; F547-L585 HydrophobicContact CD1-CD1 3.6Å; F547-L585 HydrophobicContact CD2-CD1 3.53Å; F547-L585 HydrophobicContact CE1-CD1 3.75Å; F547-L585 HydrophobicContact CE1-CD2 4.41Å; F547-L585 HydrophobicContact CE2-CD1 3.65Å; F547-L585 HydrophobicContact CG-CD1 3.5Å; F547-L585 VanDerWaalsContact CG-CD1 3.5Å; F547-L585 HydrophobicContact CZ-CD1 3.77Å; L582-L585 HydrophobicContact CB-CD1 4.16Å; L582-L585 HydrophobicContact CB-CG 4.45Å; L582-L585 HydrophobicContact CD1-CD1 3.91Å; L582-L585 PolarHBondContact O-N 3.43Å; L582-L585 VanDerWaalsContact O-N 3.14Å; Y583-L585 PolarHBondContact O-N 2.87Å
586	S	90.4	Very high	90.6	Very high	39 Å²	39	74.6 Å²	74.6	27%	0.273	39%	0.391	S	S	.	.			trans	-86	145.8	-176.5	-60.9	0	0	0	0	110.6	L582 Y583 T605	L582-S586 PolarHBondContact O-N 3.45Å; L582-S586 PolarHBondContact O-OG 2.96Å; L582-S586 VanDerWaalsContact O-OG 3.07Å; Y583-S586 WeakPolarHBondContact O-CB 3.45Å; Y583-S586 PolarHBondContact O-N 3.13Å; S586-T605 WeakPolarHBondContact CB-OG1 3.49Å; S586-T605 PolarHBondContact O-N 2.69Å; S586-T605 PolarHBondContact O-OG1 3.08Å
587	K	91.9	Very high	90.6	Very high	119 Å²	119	74 Å²	74	52%	0.517	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.6	179.9	64.1	-178.6	177.8	179.8	0	109.7	H476 A603	H476-K587 PolarHBondContact O-NZ 3.44Å; K587-A603 CarbonylContact C-O 3.5Å; K587-A603 VanDerWaalsContact CA-O 3.29Å; K587-A603 WeakPolarHBondContact CA-O 3.36Å
588	G	93.4	Very high	90.7	Very high	23 Å²	23	74.7 Å²	74.7	24%	0.237	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-179.7	176.6	0	0	0	0	0	111.9	A603	G588-A603 PolarHBondContact N-O 3.27Å; G588-A603 PolarHBondContact O-N 3.47Å
589	E	95	Very high	91	Very high	87 Å²	87	65.8 Å²	65.8	41%	0.407	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	175.7	-57.6	-161	142.7	0	0	109.7	T600 L601 Q602 R681	E589-T600 HydrophobicContact CB-CG2 4.01Å; E589-T600 HydrophobicContact CG-CG2 4.48Å; E589-L601 CarbonylContact C-O 3.6Å; E589-L601 VanDerWaalsContact CA-O 3.28Å; E589-L601 WeakPolarHBondContact CA-O 3.49Å; E589-Q602 HydrophobicContact CG-CG 4.19Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.37Å; E589-Q602 PolarHBondContact OE1-NE2 2.83Å; E589-R681 IonicContact OE1-CZ 3.01Å; E589-R681 VanDerWaalsContact OE1-CZ 3.25Å; E589-R681 IonicContact OE1-NE 3.75Å; E589-R681 PolarHBondContact OE1-NE 3.46Å; E589-R681 IonicContact OE1-NH2 2.8Å; E589-R681 PolarHBondContact OE1-NH2 3.46Å; E589-R681 IonicContact OE2-CZ 3.48Å; E589-R681 IonicContact OE2-NE 2.71Å; E589-R681 IonicContact OE2-NH2 3.71Å; E589-R681 PolarHBondContact OE2-NH2 3.18Å
590	L	94.8	Very high	91.2	Very high	28 Å²	28	65.6 Å²	65.6	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145	171.1	-66.7	175.5	0	0	0	109.7	T600 L601 M608 L611 L612	L590-T600 CarbonylContact O-C 3.58Å; L590-T600 WeakPolarHBondContact O-CA 3.38Å; L590-L601 HydrophobicContact CB-CB 4.37Å; L590-L601 PolarHBondContact N-O 3.03Å; L590-L601 PolarHBondContact O-N 2.93Å; L590-M608 HydrophobicContact CD1-CB 4.17Å; L590-M608 HydrophobicContact CD1-CG 3.91Å; L590-M608 HydrophobicContact CD2-CE 3.92Å; L590-M608 HydrophobicContact CD2-CG 4.26Å; L590-M608 HydrophobicContact CG-CE 4.4Å; L590-M608 HydrophobicContact CG-CG 3.92Å; L590-L611 HydrophobicContact CD1-CB 3.92Å; L590-L611 HydrophobicContact CD1-CD1 3.84Å; L590-L612 HydrophobicContact CD2-CD2 4.12Å; L590-L612 HydrophobicContact CD2-CG 4.39Å
591	V	94.8	Very high	91.5	Very high	63 Å²	63	61.9 Å²	61.9	38%	0.382	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	175.4	176	0	0	0	0	108.4	R598 Y599	V591-R598 HydrophobicContact CG1-CG 3.73Å; V591-Y599 WeakPolarHBondContact CA-O 3.43Å
592	T	94	Very high	91.7	Very high	14 Å²	14	63.2 Å²	63.2	9%	0.086	32%	0.316	C	S	.	.			trans	-88.4	129.6	-178	61.6	0	0	0	0	110.9	F595 R598 Y599 L601	T592-F595 HydrophobicContact CG2-CD2 4.13Å; T592-F595 HydrophobicContact CG2-CE2 3.82Å; T592-R598 WeakPolarHBondContact O-CG 3.38Å; T592-Y599 PolarHBondContact N-O 3.41Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.27Å; T592-Y599 PolarHBondContact OG1-N 3.38Å; T592-Y599 PolarHBondContact OG1-O 3.01Å; T592-L601 HydrophobicContact CG2-CD1 3.57Å; T592-L601 HydrophobicContact CG2-CG 3.88Å
593	N	91.9	Very high	91.9	Very high	132 Å²	132	61.3 Å²	61.3	71%	0.706	31%	0.305	S	S	*	.			trans	-114.4	-6.3	177.2	-61.5	-27.8	0	0	0	112.7
594	C	87.3	Confident	92	Very high	64 Å²	64	59.9 Å²	59.9	43%	0.432	30%	0.301	S	S	.	.	S	Bend	trans	-88.6	-5.7	-176	53.6	0	0	0	0	114.4	L671 L673	C594-L671 HydrophobicContact CB-CD2 4.46Å; C594-L673 HydrophobicContact CB-CD2 4.28Å
595	F	88.2	Confident	92.4	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	29%	0.291	C	S	.	.	S	Bend	trans	-110.8	162.3	-178.1	-51.7	-46.2	0	0	0	111.8	T592 N597 Y599 L648 Y672 Y675	T592-F595 HydrophobicContact CG2-CD2 4.13Å; T592-F595 HydrophobicContact CG2-CE2 3.82Å; F595-N597 PolarHBondContact O-N 3.31Å; F595-Y599 HydrophobicContact CB-CD2 4.42Å; F595-Y599 HydrophobicContact CB-CE2 4.26Å; F595-Y599 HydrophobicContact CD2-CD2 4.01Å; F595-Y599 HydrophobicContact CD2-CE2 4.41Å; F595-L648 HydrophobicContact CE2-CD2 4.05Å; F595-L648 HydrophobicContact CZ-CD2 4.22Å; F595-Y672 WeakPolarHBondContact CE1-O 3.33Å; F595-Y675 AromaticContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CG 4.23Å; F595-Y675 AromaticContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CG 4.01Å; F595-Y675 HydrophobicContact CG-CD1 4.5Å; F595-Y675 HydrophobicContact CZ-CG 4.27Å
596	K	87.3	Confident	92.7	Very high	205 Å²	205	56.3 Å²	56.3	89%	0.891	28%	0.284	S	S	*	.	S	Bend	trans	-54	-38.6	177.7	-176.6	177	-179.9	177.3	0	113.1
597	N	90.1	Very high	92.9	Very high	79 Å²	79	54.5 Å²	54.5	42%	0.422	27%	0.271	S	S	.	.	S	Bend	trans	-109.5	144.3	174	-65.6	-22.8	0	0	0	109	F595 Y599 L680	F595-N597 PolarHBondContact O-N 3.31Å; N597-Y599 HydrophobicContact CB-CD2 4.38Å; N597-Y599 HydrophobicContact CB-CE1 4.49Å; N597-Y599 HydrophobicContact CB-CE2 3.73Å; N597-Y599 WeakPolarHBondContact O-CD2 3.47Å; N597-Y599 VanDerWaalsContact O-CE2 3.26Å; N597-Y599 WeakPolarHBondContact O-CE2 3.3Å; N597-Y599 PolarHBondContact O-N 3.21Å; N597-L680 HydrophobicContact CB-CD2 4.46Å
598	R	92.5	Very high	93	Very high	175 Å²	175	49.5 Å²	49.5	66%	0.66	25%	0.25	S	C	*	.			trans	-78	116.2	172.3	-174.4	171.2	176.8	177.3	0.9	109.5	V591 T592	V591-R598 HydrophobicContact CG1-CG 3.73Å; T592-R598 WeakPolarHBondContact O-CG 3.38Å
599	Y	95.1	Very high	93.1	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.016	24%	0.239	C	C	.	.			trans	-107.5	149.8	177	-59.7	-90	0	0	0	110.8	V591 T592 F595 N597 Y675 N677 K679 L680 V682	V591-Y599 WeakPolarHBondContact CA-O 3.43Å; T592-Y599 PolarHBondContact N-O 3.41Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.27Å; T592-Y599 PolarHBondContact OG1-N 3.38Å; T592-Y599 PolarHBondContact OG1-O 3.01Å; F595-Y599 HydrophobicContact CB-CD2 4.42Å; F595-Y599 HydrophobicContact CB-CE2 4.26Å; F595-Y599 HydrophobicContact CD2-CD2 4.01Å; F595-Y599 HydrophobicContact CD2-CE2 4.41Å; N597-Y599 HydrophobicContact CB-CD2 4.38Å; N597-Y599 HydrophobicContact CB-CE1 4.49Å; N597-Y599 HydrophobicContact CB-CE2 3.73Å; N597-Y599 WeakPolarHBondContact O-CD2 3.47Å; N597-Y599 VanDerWaalsContact O-CE2 3.26Å; N597-Y599 WeakPolarHBondContact O-CE2 3.3Å; N597-Y599 PolarHBondContact O-N 3.21Å; Y599-Y675 HydrophobicContact CD1-CE1 4.13Å; Y599-Y675 AromaticContact CD2-CD1 3.77Å; Y599-Y675 HydrophobicContact CD2-CD1 3.77Å; Y599-Y675 AromaticContact CD2-CE1 3.92Å; Y599-Y675 HydrophobicContact CD2-CE1 3.92Å; Y599-Y675 HydrophobicContact CE1-CE1 4.24Å; Y599-Y675 AromaticContact CE2-CD1 3.63Å; Y599-Y675 HydrophobicContact CE2-CD1 3.63Å; Y599-Y675 AromaticContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CG-CD1 4.31Å; Y599-Y675 AromaticContact CG-CE1 3.98Å; Y599-Y675 HydrophobicContact CG-CE1 3.98Å; Y599-N677 HydrophobicContact CD1-CB 4.32Å; Y599-N677 HydrophobicContact CE1-CB 3.79Å; Y599-N677 PolarHBondContact OH-N 2.92Å; Y599-K679 WeakPolarHBondContact CD1-O 3.36Å; Y599-L680 CarbonylContact C-O 3.52Å; Y599-L680 VanDerWaalsContact CA-O 3.3Å; Y599-L680 WeakPolarHBondContact CA-O 3.44Å; Y599-L680 HydrophobicContact CD1-CD2 4.38Å; Y599-L680 HydrophobicContact CE1-CD2 4.31Å; Y599-V682 HydrophobicContact CD1-CG2 4.41Å
600	T	95.8	Very high	93.1	Very high	38 Å²	38	44.3 Å²	44.3	23%	0.233	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.8	169.7	-58	0	0	0	0	108.7	E589 L590 L680 R681 V682	E589-T600 HydrophobicContact CB-CG2 4.01Å; E589-T600 HydrophobicContact CG-CG2 4.48Å; L590-T600 CarbonylContact O-C 3.58Å; L590-T600 WeakPolarHBondContact O-CA 3.38Å; T600-L680 PolarHBondContact N-O 2.99Å; T600-R681 HydrophobicContact CG2-CG 4.18Å; T600-R681 CarbonylContact O-C 3.46Å; T600-R681 WeakPolarHBondContact O-CA 3.37Å; T600-V682 PolarHBondContact O-N 2.9Å
601	L	96.3	Very high	93.2	Very high	3 Å²	3	44 Å²	44	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.6	-179.2	-55.1	179	0	0	0	109.8	E589 L590 T592 L611 L648 V682 I684	E589-L601 CarbonylContact C-O 3.6Å; E589-L601 VanDerWaalsContact CA-O 3.28Å; E589-L601 WeakPolarHBondContact CA-O 3.49Å; L590-L601 HydrophobicContact CB-CB 4.37Å; L590-L601 PolarHBondContact N-O 3.03Å; L590-L601 PolarHBondContact O-N 2.93Å; T592-L601 HydrophobicContact CG2-CD1 3.57Å; T592-L601 HydrophobicContact CG2-CG 3.88Å; L601-L611 HydrophobicContact CD1-CD1 4.21Å; L601-L648 HydrophobicContact CD1-CD1 3.77Å; L601-L648 HydrophobicContact CD1-CD2 3.94Å; L601-L648 HydrophobicContact CD2-CD1 4.44Å; L601-L648 HydrophobicContact CD2-CD2 4.41Å; L601-V682 CarbonylContact C-O 3.44Å; L601-V682 WeakPolarHBondContact CA-O 3.34Å; L601-V682 HydrophobicContact CD2-CB 4.02Å; L601-I684 HydrophobicContact CB-CD1 4.19Å; L601-I684 HydrophobicContact CB-CG1 4.47Å; L601-I684 HydrophobicContact CD1-CD1 4.35Å
602	Q	94.6	Very high	93.2	Very high	66 Å²	66	42.1 Å²	42.1	31%	0.308	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.7	168.6	-55.2	-175.5	-40	0	0	108.5	E589 V682 N683 I684 N685	E589-Q602 HydrophobicContact CG-CG 4.19Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.37Å; E589-Q602 PolarHBondContact OE1-NE2 2.83Å; Q602-V682 PolarHBondContact N-O 3.41Å; Q602-N683 HydrophobicContact CB-CB 4.33Å; Q602-N683 PolarHBondContact O-OD1 2.95Å; Q602-I684 WeakPolarHBondContact O-CG1 3.03Å; Q602-I684 PolarHBondContact O-N 3.02Å; Q602-N685 PolarHBondContact O-N 2.94Å; Q602-N685 VanDerWaalsContact O-N 3.08Å
603	A	94.8	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.2	-167.1	0	0	0	0	0	111.1	K587 G588 Q607 M608 I684	K587-A603 CarbonylContact C-O 3.5Å; K587-A603 VanDerWaalsContact CA-O 3.29Å; K587-A603 WeakPolarHBondContact CA-O 3.36Å; G588-A603 PolarHBondContact N-O 3.27Å; G588-A603 PolarHBondContact O-N 3.47Å; A603-Q607 HydrophobicContact CB-CB 3.93Å; A603-M608 HydrophobicContact CB-CG 3.81Å; A603-I684 HydrophobicContact CB-CD1 3.87Å; A603-I684 HydrophobicContact CB-CG1 3.9Å
604	S	93	Very high	93.4	Very high	8 Å²	8	38 Å²	38	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	157.7	164.4	71.4	0	0	0	0	110.1	F606 Q607 M608	S604-F606 PolarHBondContact O-N 3.43Å; S604-Q607 WeakPolarHBondContact O-CB 3.49Å; S604-Q607 PolarHBondContact O-N 3.3Å; S604-Q607 WeakPolarHBondContact OG-CG 3.47Å; S604-Q607 PolarHBondContact OG-N 3.41Å; S604-M608 WeakPolarHBondContact O-CG 3.42Å; S604-M608 PolarHBondContact O-N 3.46Å
605	T	92.5	Very high	93.7	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-30.4	178.5	-61	0	0	0	0	112.8	F553 L559 Y583 S586 M608 A609	F553-T605 HydrophobicContact CE1-CG2 3.76Å; F553-T605 HydrophobicContact CZ-CG2 3.72Å; L559-T605 HydrophobicContact CD1-CG2 4.3Å; Y583-T605 HydrophobicContact CD1-CG2 4.45Å; S586-T605 WeakPolarHBondContact CB-OG1 3.49Å; S586-T605 PolarHBondContact O-N 2.69Å; S586-T605 PolarHBondContact O-OG1 3.08Å; T605-M608 PolarHBondContact O-N 3.46Å; T605-A609 PolarHBondContact O-N 2.97Å
606	F	92.7	Very high	93.9	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-41.8	173.2	-63.9	-19.2	0	0	0	112.8	F553 Q584 S604 M608 A609 I610 I631 I635 V639	F553-F606 HydrophobicContact CB-CE1 4.45Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.73Å; F553-F606 HydrophobicContact CD2-CE1 3.73Å; F553-F606 AromaticContact CE2-CD1 3.67Å; F553-F606 HydrophobicContact CE2-CD1 3.67Å; F553-F606 HydrophobicContact CE2-CE1 4.09Å; F553-F606 HydrophobicContact CG-CD1 4.45Å; F553-F606 HydrophobicContact CG-CE1 4.04Å; F553-F606 HydrophobicContact CZ-CD1 4.29Å; Q584-F606 HydrophobicContact CB-CE2 3.71Å; Q584-F606 HydrophobicContact CB-CZ 3.72Å; S604-F606 PolarHBondContact O-N 3.43Å; F606-M608 VanDerWaalsContact C-N 3.28Å; F606-M608 PolarHBondContact O-N 3.23Å; F606-A609 PolarHBondContact O-N 2.9Å; F606-I610 WeakPolarHBondContact O-CG1 3.25Å; F606-I610 PolarHBondContact O-N 3.27Å; F606-I631 HydrophobicContact CB-CD1 3.95Å; F606-I631 HydrophobicContact CD1-CD1 4.09Å; F606-I631 HydrophobicContact CD1-CG1 4.32Å; F606-I631 HydrophobicContact CG-CD1 4.12Å; F606-I635 HydrophobicContact CD2-CG2 3.85Å; F606-I635 HydrophobicContact CE2-CG2 3.97Å; F606-V639 HydrophobicContact CB-CG2 4.18Å
607	Q	94.8	Very high	94.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-40.2	172.8	-72.2	168.4	-18.9	0	0	111	A603 S604 I610 L611 V639 L643 I684	A603-Q607 HydrophobicContact CB-CB 3.93Å; S604-Q607 WeakPolarHBondContact O-CB 3.49Å; S604-Q607 PolarHBondContact O-N 3.3Å; S604-Q607 WeakPolarHBondContact OG-CG 3.47Å; S604-Q607 PolarHBondContact OG-N 3.41Å; Q607-I610 PolarHBondContact O-N 3.05Å; Q607-L611 WeakPolarHBondContact O-CB 3.39Å; Q607-L611 VanDerWaalsContact O-CG 3.31Å; Q607-L611 WeakPolarHBondContact O-CG 3.37Å; Q607-L611 PolarHBondContact O-N 3.35Å; Q607-V639 HydrophobicContact CB-CG1 4.31Å; Q607-V639 HydrophobicContact CG-CG1 3.49Å; Q607-V639 VanDerWaalsContact CG-CG1 3.49Å; Q607-L643 HydrophobicContact CB-CD2 4.47Å; Q607-L643 HydrophobicContact CG-CD2 4.3Å; Q607-I684 PolarHBondContact NE2-O 2.93Å; Q607-I684 PolarHBondContact OE1-O 3.35Å
608	M	95	Very high	94.3	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-64.9	172.1	64.8	0	0	111.8	L559 L590 A603 S604 T605 F606 I610 L611 L612	L559-M608 HydrophobicContact CD1-CE 4.44Å; L559-M608 HydrophobicContact CD2-CE 4.38Å; L590-M608 HydrophobicContact CD1-CB 4.17Å; L590-M608 HydrophobicContact CD1-CG 3.91Å; L590-M608 HydrophobicContact CD2-CE 3.92Å; L590-M608 HydrophobicContact CD2-CG 4.26Å; L590-M608 HydrophobicContact CG-CE 4.4Å; L590-M608 HydrophobicContact CG-CG 3.92Å; A603-M608 HydrophobicContact CB-CG 3.81Å; S604-M608 WeakPolarHBondContact O-CG 3.42Å; S604-M608 PolarHBondContact O-N 3.46Å; T605-M608 PolarHBondContact O-N 3.46Å; F606-M608 VanDerWaalsContact C-N 3.28Å; F606-M608 PolarHBondContact O-N 3.23Å; M608-I610 VanDerWaalsContact C-N 3.27Å; M608-I610 PolarHBondContact O-N 3.42Å; M608-L611 PolarHBondContact O-N 2.94Å; M608-L612 WeakPolarHBondContact O-CB 3.33Å; M608-L612 VanDerWaalsContact O-CG 3.22Å; M608-L612 WeakPolarHBondContact O-CG 3.4Å; M608-L612 PolarHBondContact O-N 2.89Å
609	A	94.7	Very high	94.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-38.8	-179.4	0	0	0	0	0	113.1	F553 P556 T605 F606 Q613 T629	F553-A609 HydrophobicContact CE2-CB 3.56Å; F553-A609 HydrophobicContact CZ-CB 3.66Å; P556-A609 HydrophobicContact CG-CB 3.74Å; T605-A609 PolarHBondContact O-N 2.97Å; F606-A609 PolarHBondContact O-N 2.9Å; A609-Q613 WeakPolarHBondContact O-CG 3.36Å; A609-Q613 PolarHBondContact O-NE2 3.42Å; A609-T629 HydrophobicContact CB-CG2 4.12Å
610	I	95.5	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-50.8	176	-63.8	164.7	0	0	0	110.4	F606 Q607 M608 L612 Q613 Y614 L625 T629 I631 L636 V639 L640 L643 L649	F606-I610 WeakPolarHBondContact O-CG1 3.25Å; F606-I610 PolarHBondContact O-N 3.27Å; Q607-I610 PolarHBondContact O-N 3.05Å; M608-I610 VanDerWaalsContact C-N 3.27Å; M608-I610 PolarHBondContact O-N 3.42Å; I610-L612 VanDerWaalsContact C-N 3.28Å; I610-L612 PolarHBondContact O-N 3.06Å; I610-Q613 WeakPolarHBondContact O-CB 3.44Å; I610-Q613 PolarHBondContact O-N 2.93Å; I610-Q613 VanDerWaalsContact O-N 3.15Å; I610-Y614 HydrophobicContact CG2-CE2 4.25Å; I610-Y614 WeakPolarHBondContact O-CD2 3.32Å; I610-L625 HydrophobicContact CG2-CD1 4.27Å; I610-L625 HydrophobicContact CG2-CD2 4.42Å; I610-T629 HydrophobicContact CG1-CG2 4.37Å; I610-I631 HydrophobicContact CG1-CD1 4.46Å; I610-L636 HydrophobicContact CD1-CD1 3.54Å; I610-L636 HydrophobicContact CG1-CD1 3.88Å; I610-V639 HydrophobicContact CD1-CB 3.9Å; I610-V639 HydrophobicContact CD1-CG1 3.39Å; I610-L640 HydrophobicContact CD1-CD2 4.35Å; I610-L640 HydrophobicContact CG2-CD2 3.99Å; I610-L643 HydrophobicContact CB-CD1 4.27Å; I610-L643 HydrophobicContact CD1-CD1 4.39Å; I610-L643 HydrophobicContact CG2-CD1 3.9Å; I610-L649 HydrophobicContact CG2-CD1 4.29Å
611	L	95.6	Very high	94.6	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.115	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-32.1	-176.4	-71.3	172.7	0	0	0	112.8	L590 L601 Q607 M608 Q613 Y614 L643 L648 L649 I684	L590-L611 HydrophobicContact CD1-CB 3.92Å; L590-L611 HydrophobicContact CD1-CD1 3.84Å; L601-L611 HydrophobicContact CD1-CD1 4.21Å; Q607-L611 WeakPolarHBondContact O-CB 3.39Å; Q607-L611 VanDerWaalsContact O-CG 3.31Å; Q607-L611 WeakPolarHBondContact O-CG 3.37Å; Q607-L611 PolarHBondContact O-N 3.35Å; M608-L611 PolarHBondContact O-N 2.94Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 2.89Å; L611-Y614 PolarHBondContact O-N 3.29Å; L611-L643 HydrophobicContact CD1-CD2 4.08Å; L611-L643 HydrophobicContact CD2-CD1 4.27Å; L611-L643 HydrophobicContact CD2-CD2 4.3Å; L611-L643 HydrophobicContact CG-CD1 4.25Å; L611-L643 HydrophobicContact CG-CD2 4.29Å; L611-L648 HydrophobicContact CD1-CD1 4.39Å; L611-L648 HydrophobicContact CD2-CB 4.47Å; L611-L649 HydrophobicContact CD2-CD2 4.49Å; L611-I684 HydrophobicContact CD1-CD1 3.98Å
612	L	94.8	Very high	94.5	Very high	24 Å²	24	35 Å²	35	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-24.6	177.2	-72.2	169.7	0	0	0	113.1	P556 L590 M608 I610 Y614 N615	P556-L612 HydrophobicContact CB-CD1 3.66Å; P556-L612 HydrophobicContact CG-CD1 4.05Å; L590-L612 HydrophobicContact CD2-CD2 4.12Å; L590-L612 HydrophobicContact CD2-CG 4.39Å; M608-L612 WeakPolarHBondContact O-CB 3.33Å; M608-L612 VanDerWaalsContact O-CG 3.22Å; M608-L612 WeakPolarHBondContact O-CG 3.4Å; M608-L612 PolarHBondContact O-N 2.89Å; I610-L612 VanDerWaalsContact C-N 3.28Å; I610-L612 PolarHBondContact O-N 3.06Å; L612-Y614 PolarHBondContact O-N 3.41Å; L612-N615 WeakPolarHBondContact CD2-ND2 3.22Å; L612-N615 WeakPolarHBondContact O-CB 3.38Å; L612-N615 PolarHBondContact O-N 3.37Å; L612-N615 PolarHBondContact O-ND2 3.35Å
613	Q	94.8	Very high	94.5	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.22	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-36	173.7	-60.3	-53	-56.4	0	0	111.1	A609 I610 L611 N615 T616 Y620 L625	A609-Q613 WeakPolarHBondContact O-CG 3.36Å; A609-Q613 PolarHBondContact O-NE2 3.42Å; I610-Q613 WeakPolarHBondContact O-CB 3.44Å; I610-Q613 PolarHBondContact O-N 2.93Å; I610-Q613 VanDerWaalsContact O-N 3.15Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 2.89Å; Q613-N615 PolarHBondContact O-N 3.32Å; Q613-T616 PolarHBondContact O-N 3.41Å; Q613-Y620 HydrophobicContact CB-CD2 4.26Å; Q613-Y620 HydrophobicContact CB-CE2 3.8Å; Q613-Y620 WeakPolarHBondContact O-CE2 3.03Å; Q613-Y620 PolarHBondContact O-OH 3.4Å; Q613-L625 HydrophobicContact CB-CD2 4.2Å; Q613-L625 HydrophobicContact CG-CD2 4.07Å
614	Y	95.3	Very high	94.6	Very high	11 Å²	11	39.5 Å²	39.5	4%	0.043	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	1.5	-179.1	-67.4	-86.9	0	0	0	114.6	I610 L611 L612 E617 D618 Y620 L649 I669 L671	I610-Y614 HydrophobicContact CG2-CE2 4.25Å; I610-Y614 WeakPolarHBondContact O-CD2 3.32Å; L611-Y614 PolarHBondContact O-N 3.29Å; L612-Y614 PolarHBondContact O-N 3.41Å; Y614-E617 VanDerWaalsContact CA-O 3.28Å; Y614-E617 WeakPolarHBondContact CA-O 3.48Å; Y614-E617 WeakPolarHBondContact CD1-O 3.25Å; Y614-D618 WeakPolarHBondContact CE1-O 3.39Å; Y614-Y620 HydrophobicContact CD1-CD2 4.11Å; Y614-Y620 HydrophobicContact CD1-CE2 4.37Å; Y614-Y620 AromaticContact CE1-CD2 3.88Å; Y614-Y620 HydrophobicContact CE1-CD2 3.88Å; Y614-Y620 HydrophobicContact CE2-CD2 4.39Å; Y614-Y620 HydrophobicContact CG-CD2 4.49Å; Y614-L649 HydrophobicContact CD2-CD2 4.04Å; Y614-L649 HydrophobicContact CE1-CD2 4.13Å; Y614-L649 HydrophobicContact CE2-CD1 4.16Å; Y614-L649 HydrophobicContact CE2-CD2 3.54Å; Y614-I669 WeakPolarHBondContact OH-CG2 3.31Å; Y614-I669 PolarHBondContact OH-O 2.88Å; Y614-L671 HydrophobicContact CD1-CB 3.76Å; Y614-L671 HydrophobicContact CE1-CB 4.27Å; Y614-L671 HydrophobicContact CG-CB 4.37Å; Y614-L671 HydrophobicContact CG-CD1 4.46Å
615	N	93.6	Very high	94.7	Very high	119 Å²	119	39.1 Å²	39.1	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18	165.9	-68.5	-31.8	0	0	0	112.4	L612 Q613	L612-N615 WeakPolarHBondContact CD2-ND2 3.22Å; L612-N615 WeakPolarHBondContact O-CB 3.38Å; L612-N615 PolarHBondContact O-N 3.37Å; L612-N615 PolarHBondContact O-ND2 3.35Å; Q613-N615 PolarHBondContact O-N 3.32Å
616	T	93	Very high	94.8	Very high	116 Å²	116	39.7 Å²	39.7	71%	0.712	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-47	-177.8	-48.6	0	0	0	0	111.8	Q613	Q613-T616 PolarHBondContact O-N 3.41Å
617	E	94	Very high	94.9	Very high	107 Å²	107	43.5 Å²	43.5	50%	0.5	23%	0.231	S	C	.	.			trans	-137	150.8	177	-56.7	-174.7	-176.1	0	0	111.8	Y614 A619 Y620	Y614-E617 VanDerWaalsContact CA-O 3.28Å; Y614-E617 WeakPolarHBondContact CA-O 3.48Å; Y614-E617 WeakPolarHBondContact CD1-O 3.25Å; E617-A619 VanDerWaalsContact C-N 3.32Å; E617-A619 PolarHBondContact O-N 3.08Å; E617-Y620 HydrophobicContact CB-CE1 4.38Å; E617-Y620 HydrophobicContact CB-CE2 4Å; E617-Y620 WeakPolarHBondContact CB-OH 3.49Å; E617-Y620 PolarHBondContact N-OH 2.91Å; E617-Y620 WeakPolarHBondContact O-CE2 3.46Å
618	D	92.9	Very high	94.8	Very high	96 Å²	96	45.5 Å²	45.5	51%	0.513	25%	0.245	S	C	.	.	S	Bend	trans	-83.3	-4.7	-177.3	-72.2	-29.3	0	0	0	114	Y614 K670 L671	Y614-D618 WeakPolarHBondContact CE1-O 3.39Å; D618-K670 CarbonylContact O-C 3.56Å; D618-K670 VanDerWaalsContact O-CA 3.3Å; D618-K670 WeakPolarHBondContact O-CA 3.29Å; D618-L671 PolarHBondContact O-N 2.98Å
619	A	95.5	Very high	94.7	Very high	32 Å²	32	44.9 Å²	44.9	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	131.1	-173.8	0	0	0	0	0	112.1	E617 L668 I669 K670	E617-A619 VanDerWaalsContact C-N 3.32Å; E617-A619 PolarHBondContact O-N 3.08Å; A619-L668 HydrophobicContact CB-CD1 4.19Å; A619-I669 WeakPolarHBondContact CA-O 3.33Å; A619-K670 HydrophobicContact CB-CG 3.84Å
620	Y	96.6	Very high	94.7	Very high	22 Å²	22	49.4 Å²	49.4	9%	0.086	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.2	176.4	-70.9	-78.3	0	0	0	111.2	Q613 Y614 E617 Q624 L625 I669	Q613-Y620 HydrophobicContact CB-CD2 4.26Å; Q613-Y620 HydrophobicContact CB-CE2 3.8Å; Q613-Y620 WeakPolarHBondContact O-CE2 3.03Å; Q613-Y620 PolarHBondContact O-OH 3.4Å; Y614-Y620 HydrophobicContact CD1-CD2 4.11Å; Y614-Y620 HydrophobicContact CD1-CE2 4.37Å; Y614-Y620 AromaticContact CE1-CD2 3.88Å; Y614-Y620 HydrophobicContact CE1-CD2 3.88Å; Y614-Y620 HydrophobicContact CE2-CD2 4.39Å; Y614-Y620 HydrophobicContact CG-CD2 4.49Å; E617-Y620 HydrophobicContact CB-CE1 4.38Å; E617-Y620 HydrophobicContact CB-CE2 4Å; E617-Y620 WeakPolarHBondContact CB-OH 3.49Å; E617-Y620 PolarHBondContact N-OH 2.91Å; E617-Y620 WeakPolarHBondContact O-CE2 3.46Å; Y620-Q624 HydrophobicContact CD1-CB 4.12Å; Y620-L625 HydrophobicContact CD2-CD2 4.15Å; Y620-L625 HydrophobicContact CG-CD2 3.97Å; Y620-L625 HydrophobicContact CG-CG 4.46Å; Y620-I669 PolarHBondContact N-O 3.16Å; Y620-I669 PolarHBondContact O-N 3.42Å
621	T	95.9	Very high	94.5	Very high	34 Å²	34	49.5 Å²	49.5	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	155	165.7	68.3	0	0	0	0	110.7	Q623 Q624 L625 T667 L668	T621-Q623 PolarHBondContact O-N 3.26Å; T621-Q624 WeakPolarHBondContact O-CB 3.41Å; T621-Q624 PolarHBondContact O-N 3.45Å; T621-Q624 VanDerWaalsContact O-N 3.1Å; T621-Q624 VanDerWaalsContact OG1-CG 3.29Å; T621-Q624 WeakPolarHBondContact OG1-CG 3.29Å; T621-Q624 PolarHBondContact OG1-N 3.29Å; T621-Q624 PolarHBondContact OG1-OE1 3.23Å; T621-L625 PolarHBondContact O-N 3.27Å; T621-T667 CarbonylContact C-O 3.54Å; T621-T667 VanDerWaalsContact CA-O 3.29Å; T621-T667 WeakPolarHBondContact CA-O 3.18Å; T621-L668 HydrophobicContact CG2-CD1 4.17Å
622	V	95.8	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-36.6	175.8	178	0	0	0	0	111.3	L625 T626 M633 L636 L640 L663 K664 P665 T667 I669	V622-L625 PolarHBondContact O-N 2.71Å; V622-T626 WeakPolarHBondContact O-CB 3.35Å; V622-T626 PolarHBondContact O-N 3.35Å; V622-T626 PolarHBondContact O-OG1 2.9Å; V622-M633 HydrophobicContact CG1-CE 3.78Å; V622-M633 HydrophobicContact CG1-SD 3.45Å; V622-M633 WeakPolarHBondContact CG1-SD 3.46Å; V622-L636 HydrophobicContact CG1-CD2 4.02Å; V622-L640 HydrophobicContact CG1-CD1 4.16Å; V622-L640 HydrophobicContact CG2-CD1 4.08Å; V622-L663 HydrophobicContact CG2-CB 4.42Å; V622-K664 WeakPolarHBondContact CB-O 3.31Å; V622-P665 PolarHBondContact N-O 3.03Å; V622-T667 WeakPolarHBondContact CG2-O 3.36Å; V622-T667 PolarHBondContact N-O 3.45Å; V622-I669 HydrophobicContact CG2-CD1 3.68Å; V622-I669 HydrophobicContact CG2-CG1 4.22Å
623	Q	94.9	Very high	93.9	Very high	71 Å²	71	55.7 Å²	55.7	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-45.2	175.6	-173.2	58.1	47.1	0	0	111.8	T621 L625 T626 D627 P665	T621-Q623 PolarHBondContact O-N 3.26Å; Q623-L625 VanDerWaalsContact C-N 3.3Å; Q623-L625 PolarHBondContact O-N 3.37Å; Q623-T626 WeakPolarHBondContact O-CA 3.43Å; Q623-T626 WeakPolarHBondContact O-CB 3.33Å; Q623-T626 PolarHBondContact O-N 3.32Å; Q623-T626 VanDerWaalsContact O-N 3.09Å; Q623-D627 VanDerWaalsContact NE2-CG 3.26Å; Q623-D627 PolarHBondContact NE2-OD1 2.81Å; Q623-D627 PolarHBondContact NE2-OD2 3.3Å; Q623-D627 VanDerWaalsContact O-CG 3.32Å; Q623-D627 PolarHBondContact O-N 2.83Å; Q623-P665 HydrophobicContact CB-CB 4.07Å; Q623-P665 VanDerWaalsContact CB-O 3.28Å; Q623-P665 WeakPolarHBondContact CB-O 3.44Å; Q623-P665 PolarHBondContact N-O 2.72Å
624	Q	95.6	Very high	93.5	Very high	90 Å²	90	58 Å²	58	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-40.2	176	-73.7	169.5	-32.1	0	0	112	Y620 T621 T626 D627 S628	Y620-Q624 HydrophobicContact CD1-CB 4.12Å; T621-Q624 WeakPolarHBondContact O-CB 3.41Å; T621-Q624 PolarHBondContact O-N 3.45Å; T621-Q624 VanDerWaalsContact O-N 3.1Å; T621-Q624 VanDerWaalsContact OG1-CG 3.29Å; T621-Q624 WeakPolarHBondContact OG1-CG 3.29Å; T621-Q624 PolarHBondContact OG1-N 3.29Å; T621-Q624 PolarHBondContact OG1-OE1 3.23Å; Q624-T626 VanDerWaalsContact C-N 3.34Å; Q624-D627 PolarHBondContact O-N 3.4Å; Q624-S628 WeakPolarHBondContact O-CB 3.45Å; Q624-S628 PolarHBondContact O-N 3.07Å; Q624-S628 PolarHBondContact O-OG 2.91Å
625	L	95.6	Very high	93.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-37.1	174.6	-67	177.2	0	0	0	111.9	I610 Q613 Y620 T621 V622 Q623 S628 T629 L636 L640	I610-L625 HydrophobicContact CG2-CD1 4.27Å; I610-L625 HydrophobicContact CG2-CD2 4.42Å; Q613-L625 HydrophobicContact CB-CD2 4.2Å; Q613-L625 HydrophobicContact CG-CD2 4.07Å; Y620-L625 HydrophobicContact CD2-CD2 4.15Å; Y620-L625 HydrophobicContact CG-CD2 3.97Å; Y620-L625 HydrophobicContact CG-CG 4.46Å; T621-L625 PolarHBondContact O-N 3.27Å; V622-L625 PolarHBondContact O-N 2.71Å; Q623-L625 VanDerWaalsContact C-N 3.3Å; Q623-L625 PolarHBondContact O-N 3.37Å; L625-S628 WeakPolarHBondContact CA-OG 3.4Å; L625-S628 PolarHBondContact O-OG 2.8Å; L625-T629 WeakPolarHBondContact O-CB 3.47Å; L625-T629 WeakPolarHBondContact O-CG2 3.34Å; L625-T629 PolarHBondContact O-N 2.84Å; L625-T629 VanDerWaalsContact O-N 3.1Å; L625-T629 PolarHBondContact O-OG1 3.38Å; L625-L636 HydrophobicContact CB-CD2 4.18Å; L625-L640 HydrophobicContact CD1-CD1 4.47Å; L625-L640 HydrophobicContact CD1-CD2 3.85Å
626	T	94.5	Very high	93	Very high	21 Å²	21	53.5 Å²	53.5	13%	0.129	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-48.5	174.5	-56.8	0	0	0	0	110.7	V622 Q623 Q624 Q630 L636	V622-T626 WeakPolarHBondContact O-CB 3.35Å; V622-T626 PolarHBondContact O-N 3.35Å; V622-T626 PolarHBondContact O-OG1 2.9Å; Q623-T626 WeakPolarHBondContact O-CA 3.43Å; Q623-T626 WeakPolarHBondContact O-CB 3.33Å; Q623-T626 PolarHBondContact O-N 3.32Å; Q623-T626 VanDerWaalsContact O-N 3.09Å; Q624-T626 VanDerWaalsContact C-N 3.34Å; T626-Q630 WeakPolarHBondContact O-CA 3.17Å; T626-Q630 PolarHBondContact O-N 3.01Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.45Å
627	D	93.7	Very high	92.9	Very high	86 Å²	86	49 Å²	49	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-70.4	-40	-175.6	-66.1	-28.9	0	0	0	112.2	Q623 Q624 Q630	Q623-D627 VanDerWaalsContact NE2-CG 3.26Å; Q623-D627 PolarHBondContact NE2-OD1 2.81Å; Q623-D627 PolarHBondContact NE2-OD2 3.3Å; Q623-D627 VanDerWaalsContact O-CG 3.32Å; Q623-D627 PolarHBondContact O-N 2.83Å; Q624-D627 PolarHBondContact O-N 3.4Å; D627-Q630 PolarHBondContact O-NE2 3.34Å
628	S	93.3	Very high	92.7	Very high	43 Å²	43	45.3 Å²	45.3	30%	0.301	24%	0.237	S	C	.	.	H	α-helix	trans	-70.1	-40.5	178.6	54	0	0	0	0	113	A554 Q624 L625	A554-S628 WeakPolarHBondContact CB-O 3.36Å; Q624-S628 WeakPolarHBondContact O-CB 3.45Å; Q624-S628 PolarHBondContact O-N 3.07Å; Q624-S628 PolarHBondContact O-OG 2.91Å; L625-S628 WeakPolarHBondContact CA-OG 3.4Å; L625-S628 PolarHBondContact O-OG 2.8Å
629	T	93.6	Very high	92.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-93.6	-16.3	-176.4	67.1	0	0	0	0	113.8	A554 A609 I610 L625 I631	A554-T629 PolarHBondContact N-O 3.42Å; A609-T629 HydrophobicContact CB-CG2 4.12Å; I610-T629 HydrophobicContact CG1-CG2 4.37Å; L625-T629 WeakPolarHBondContact O-CB 3.47Å; L625-T629 WeakPolarHBondContact O-CG2 3.34Å; L625-T629 PolarHBondContact O-N 2.84Å; L625-T629 VanDerWaalsContact O-N 3.1Å; L625-T629 PolarHBondContact O-OG1 3.38Å; T629-I631 HydrophobicContact CG2-CD1 4.41Å; T629-I631 PolarHBondContact O-N 3.47Å; T629-I631 VanDerWaalsContact O-N 3.12Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.36Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.41Å; T629-I631 PolarHBondContact OG1-N 2.91Å
630	Q	93.8	Very high	92.6	Very high	96 Å²	96	39.2 Å²	39.2	45%	0.449	20%	0.2	S	C	.	.			trans	56.3	19.2	-173.2	-64.4	-68.6	-44.9	0	0	114.2	T552 A554 T626 D627	T552-Q630 CarbonylContact C-O 3.53Å; T552-Q630 PolarHBondContact OG1-O 3.36Å; A554-Q630 HydrophobicContact CB-CB 4.3Å; A554-Q630 HydrophobicContact CB-CG 4.16Å; T626-Q630 WeakPolarHBondContact O-CA 3.17Å; T626-Q630 PolarHBondContact O-N 3.01Å; D627-Q630 PolarHBondContact O-NE2 3.34Å
631	I	91.2	Very high	92.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.209	C	C	.	.			trans	-75.8	135.5	175.6	-61.1	169.3	0	0	0	108.7	F553 F606 I610 T629 I635 L636	F553-I631 HydrophobicContact CD2-CD1 4.27Å; F553-I631 HydrophobicContact CD2-CG1 3.78Å; F553-I631 HydrophobicContact CE2-CD1 4.11Å; F553-I631 HydrophobicContact CE2-CG1 4.14Å; F606-I631 HydrophobicContact CB-CD1 3.95Å; F606-I631 HydrophobicContact CD1-CD1 4.09Å; F606-I631 HydrophobicContact CD1-CG1 4.32Å; F606-I631 HydrophobicContact CG-CD1 4.12Å; I610-I631 HydrophobicContact CG1-CD1 4.46Å; T629-I631 HydrophobicContact CG2-CD1 4.41Å; T629-I631 PolarHBondContact O-N 3.47Å; T629-I631 VanDerWaalsContact O-N 3.12Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.36Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.41Å; T629-I631 PolarHBondContact OG1-N 2.91Å; I631-I635 HydrophobicContact CG2-CB 3.92Å; I631-I635 HydrophobicContact CG2-CG2 3.88Å; I631-L636 HydrophobicContact CB-CB 4.41Å; I631-L636 HydrophobicContact CB-CD1 4.22Å; I631-L636 HydrophobicContact CD1-CD1 4.2Å; I631-L636 HydrophobicContact CG2-CB 3.97Å; I631-L636 HydrophobicContact CG2-CD1 4.39Å
632	K	89.1	Confident	92.1	Very high	117 Å²	117	40.7 Å²	40.7	51%	0.509	21%	0.206	S	C	.	.			trans	-60.6	139.8	175.3	-62.3	-175.1	175.3	-177	0	111.4	D634 I635 L636	K632-D634 VanDerWaalsContact C-N 3.27Å; K632-D634 WeakPolarHBondContact CB-OD1 3.11Å; K632-D634 PolarHBondContact O-N 3.28Å; K632-D634 VanDerWaalsContact O-N 3.16Å; K632-I635 PolarHBondContact O-N 3.35Å; K632-L636 PolarHBondContact O-N 3.29Å
633	M	89.1	Confident	92	Very high	59 Å²	59	40.7 Å²	40.7	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-54.2	-38.2	-173.9	-175.1	63.4	88.3	0	0	113.9	V622 I635 L636 A637 P665	V622-M633 HydrophobicContact CG1-CE 3.78Å; V622-M633 HydrophobicContact CG1-SD 3.45Å; V622-M633 WeakPolarHBondContact CG1-SD 3.46Å; M633-I635 VanDerWaalsContact C-N 3.33Å; M633-I635 PolarHBondContact O-N 3.29Å; M633-L636 PolarHBondContact O-N 3.4Å; M633-L636 HydrophobicContact SD-CD2 4.5Å; M633-A637 VanDerWaalsContact O-CB 3.28Å; M633-A637 WeakPolarHBondContact O-CB 3.39Å; M633-A637 PolarHBondContact O-N 3.44Å; M633-P665 HydrophobicContact CE-CB 4.2Å; M633-P665 HydrophobicContact CE-CG 4Å
634	D	86.3	Confident	92	Very high	95 Å²	95	37.7 Å²	37.7	51%	0.508	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-36.2	178.6	61.2	-40.4	0	0	0	113.2	K632 Q638	K632-D634 VanDerWaalsContact C-N 3.27Å; K632-D634 WeakPolarHBondContact CB-OD1 3.11Å; K632-D634 PolarHBondContact O-N 3.28Å; K632-D634 VanDerWaalsContact O-N 3.16Å; D634-Q638 PolarHBondContact O-NE2 3.19Å
635	I	87.6	Confident	91.7	Very high	37 Å²	37	38.2 Å²	38.2	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-79	-46.2	174.3	-60.5	175.1	0	0	0	109.5	F606 I631 K632 M633 A637 Q638 V639 M688	F606-I635 HydrophobicContact CD2-CG2 3.85Å; F606-I635 HydrophobicContact CE2-CG2 3.97Å; I631-I635 HydrophobicContact CG2-CB 3.92Å; I631-I635 HydrophobicContact CG2-CG2 3.88Å; K632-I635 PolarHBondContact O-N 3.35Å; M633-I635 VanDerWaalsContact C-N 3.33Å; M633-I635 PolarHBondContact O-N 3.29Å; I635-A637 VanDerWaalsContact C-N 3.33Å; I635-A637 PolarHBondContact O-N 3.19Å; I635-Q638 PolarHBondContact O-N 3.09Å; I635-Q638 VanDerWaalsContact O-N 3.16Å; I635-V639 HydrophobicContact CG2-CG2 4.25Å; I635-V639 WeakPolarHBondContact O-CG2 3.25Å; I635-V639 PolarHBondContact O-N 3.31Å; I635-M688 HydrophobicContact CG2-CE 4.13Å; I635-M688 HydrophobicContact CG2-SD 4.26Å
636	L	91.5	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-47.1	-178	-173.3	74.9	0	0	0	111.1	I610 V622 L625 T626 I631 K632 M633 Q638 V639 L640	I610-L636 HydrophobicContact CD1-CD1 3.54Å; I610-L636 HydrophobicContact CG1-CD1 3.88Å; V622-L636 HydrophobicContact CG1-CD2 4.02Å; L625-L636 HydrophobicContact CB-CD2 4.18Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.45Å; I631-L636 HydrophobicContact CB-CB 4.41Å; I631-L636 HydrophobicContact CB-CD1 4.22Å; I631-L636 HydrophobicContact CD1-CD1 4.2Å; I631-L636 HydrophobicContact CG2-CB 3.97Å; I631-L636 HydrophobicContact CG2-CD1 4.39Å; K632-L636 PolarHBondContact O-N 3.29Å; M633-L636 PolarHBondContact O-N 3.4Å; M633-L636 HydrophobicContact SD-CD2 4.5Å; L636-Q638 VanDerWaalsContact C-N 3.29Å; L636-Q638 PolarHBondContact O-N 3.07Å; L636-V639 PolarHBondContact O-N 3.08Å; L636-V639 VanDerWaalsContact O-N 3.12Å; L636-L640 HydrophobicContact CD2-CD1 4.2Å; L636-L640 HydrophobicContact CG-CD1 3.85Å; L636-L640 HydrophobicContact CG-CG 4.29Å; L636-L640 WeakPolarHBondContact O-CB 3.08Å; L636-L640 VanDerWaalsContact O-CG 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.44Å
637	A	90.9	Very high	91.3	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-41.6	178.9	0	0	0	0	0	112.2	M633 I635 L640 Q641 L663	M633-A637 VanDerWaalsContact O-CB 3.28Å; M633-A637 WeakPolarHBondContact O-CB 3.39Å; M633-A637 PolarHBondContact O-N 3.44Å; I635-A637 VanDerWaalsContact C-N 3.33Å; I635-A637 PolarHBondContact O-N 3.19Å; A637-L640 PolarHBondContact O-N 3.43Å; A637-Q641 WeakPolarHBondContact O-CB 3.45Å; A637-Q641 VanDerWaalsContact O-CG 3.31Å; A637-Q641 WeakPolarHBondContact O-CG 3.44Å; A637-Q641 PolarHBondContact O-N 2.61Å; A637-L663 HydrophobicContact CB-CD1 4.22Å
638	Q	89.2	Confident	91.2	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-40.1	177	-72.3	177.4	80.6	0	0	112.2	D634 I635 L636 L640 Q641 I642 M688 T690	D634-Q638 PolarHBondContact O-NE2 3.19Å; I635-Q638 PolarHBondContact O-N 3.09Å; I635-Q638 VanDerWaalsContact O-N 3.16Å; L636-Q638 VanDerWaalsContact C-N 3.29Å; L636-Q638 PolarHBondContact O-N 3.07Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; Q638-Q641 PolarHBondContact O-N 3.07Å; Q638-I642 WeakPolarHBondContact O-CG1 3.28Å; Q638-I642 PolarHBondContact O-N 3.04Å; Q638-M688 HydrophobicContact CB-CG 4.43Å; Q638-M688 HydrophobicContact CB-SD 3.92Å; Q638-T690 VanDerWaalsContact OE1-CB 3.3Å; Q638-T690 PolarHBondContact OE1-OG1 2.74Å; Q638-T690 VanDerWaalsContact OE1-OG1 3.13Å
639	V	92	Very high	91.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-44.8	175.7	-178.6	0	0	0	0	110.2	F606 Q607 I610 I635 L636 I642 L643 M688	F606-V639 HydrophobicContact CB-CG2 4.18Å; Q607-V639 HydrophobicContact CB-CG1 4.31Å; Q607-V639 HydrophobicContact CG-CG1 3.49Å; Q607-V639 VanDerWaalsContact CG-CG1 3.49Å; I610-V639 HydrophobicContact CD1-CB 3.9Å; I610-V639 HydrophobicContact CD1-CG1 3.39Å; I635-V639 HydrophobicContact CG2-CG2 4.25Å; I635-V639 WeakPolarHBondContact O-CG2 3.25Å; I635-V639 PolarHBondContact O-N 3.31Å; L636-V639 PolarHBondContact O-N 3.08Å; L636-V639 VanDerWaalsContact O-N 3.12Å; V639-I642 WeakPolarHBondContact O-CB 3.39Å; V639-I642 PolarHBondContact O-N 2.86Å; V639-L643 HydrophobicContact CG1-CD1 4.23Å; V639-L643 WeakPolarHBondContact O-CG 3.33Å; V639-L643 PolarHBondContact O-N 3.32Å; V639-M688 HydrophobicContact CG2-CE 3.47Å; V639-M688 VanDerWaalsContact CG2-CE 3.47Å; V639-M688 HydrophobicContact CG2-SD 4.3Å
640	L	94.2	Very high	91.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-43.5	176.3	-70.3	170.9	0	0	0	111.7	I610 V622 L625 L636 A637 Q638 I642 L643 L644 L649 L663 I669	I610-L640 HydrophobicContact CD1-CD2 4.35Å; I610-L640 HydrophobicContact CG2-CD2 3.99Å; V622-L640 HydrophobicContact CG1-CD1 4.16Å; V622-L640 HydrophobicContact CG2-CD1 4.08Å; L625-L640 HydrophobicContact CD1-CD1 4.47Å; L625-L640 HydrophobicContact CD1-CD2 3.85Å; L636-L640 HydrophobicContact CD2-CD1 4.2Å; L636-L640 HydrophobicContact CG-CD1 3.85Å; L636-L640 HydrophobicContact CG-CG 4.29Å; L636-L640 WeakPolarHBondContact O-CB 3.08Å; L636-L640 VanDerWaalsContact O-CG 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.44Å; A637-L640 PolarHBondContact O-N 3.43Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; L640-I642 VanDerWaalsContact C-N 3.29Å; L640-I642 PolarHBondContact O-N 2.99Å; L640-L643 PolarHBondContact O-N 3.1Å; L640-L643 VanDerWaalsContact O-N 3.1Å; L640-L644 WeakPolarHBondContact O-CB 3.27Å; L640-L644 VanDerWaalsContact O-CG 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.47Å; L640-L644 PolarHBondContact O-N 3.46Å; L640-L649 HydrophobicContact CD2-CD1 3.91Å; L640-L663 HydrophobicContact CB-CD1 3.67Å; L640-L663 HydrophobicContact CD1-CD1 4.15Å; L640-I669 HydrophobicContact CB-CD1 4.28Å; L640-I669 HydrophobicContact CD1-CD1 3.58Å; L640-I669 HydrophobicContact CD2-CD1 3.75Å; L640-I669 HydrophobicContact CG-CD1 4.07Å
641	Q	91.4	Very high	91.2	Very high	56 Å²	56	36.3 Å²	36.3	26%	0.262	18%	0.178	S	C	.	.	H	α-helix	trans	-57.9	-40.2	173.7	-77.7	176.3	-4.5	0	0	112.5	A637 Q638 K645 L663	A637-Q641 WeakPolarHBondContact O-CB 3.45Å; A637-Q641 VanDerWaalsContact O-CG 3.31Å; A637-Q641 WeakPolarHBondContact O-CG 3.44Å; A637-Q641 PolarHBondContact O-N 2.61Å; Q638-Q641 PolarHBondContact O-N 3.07Å; Q641-K645 WeakPolarHBondContact O-CB 3.44Å; Q641-K645 VanDerWaalsContact O-CG 3.24Å; Q641-K645 WeakPolarHBondContact O-CG 3.47Å; Q641-K645 PolarHBondContact O-N 3.13Å; Q641-L663 HydrophobicContact CG-CD1 4.27Å
642	I	91.4	Very high	90.9	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-45.3	174.9	-66.3	164.2	0	0	0	110.3	Q638 V639 L640 K645 S646 M688	Q638-I642 WeakPolarHBondContact O-CG1 3.28Å; Q638-I642 PolarHBondContact O-N 3.04Å; V639-I642 WeakPolarHBondContact O-CB 3.39Å; V639-I642 PolarHBondContact O-N 2.86Å; L640-I642 VanDerWaalsContact C-N 3.29Å; L640-I642 PolarHBondContact O-N 2.99Å; I642-K645 PolarHBondContact O-N 3.28Å; I642-S646 WeakPolarHBondContact O-CB 3.23Å; I642-S646 PolarHBondContact O-N 3.07Å; I642-S646 PolarHBondContact O-OG 3.22Å; I642-M688 HydrophobicContact CD1-CG 4.2Å
643	L	94.1	Very high	90.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-40.9	-179.2	-65.7	177.2	0	0	0	112.4	Q607 I610 L611 V639 L640 S646 K647 L648 L649 I684	Q607-L643 HydrophobicContact CB-CD2 4.47Å; Q607-L643 HydrophobicContact CG-CD2 4.3Å; I610-L643 HydrophobicContact CB-CD1 4.27Å; I610-L643 HydrophobicContact CD1-CD1 4.39Å; I610-L643 HydrophobicContact CG2-CD1 3.9Å; L611-L643 HydrophobicContact CD1-CD2 4.08Å; L611-L643 HydrophobicContact CD2-CD1 4.27Å; L611-L643 HydrophobicContact CD2-CD2 4.3Å; L611-L643 HydrophobicContact CG-CD1 4.25Å; L611-L643 HydrophobicContact CG-CD2 4.29Å; V639-L643 HydrophobicContact CG1-CD1 4.23Å; V639-L643 WeakPolarHBondContact O-CG 3.33Å; V639-L643 PolarHBondContact O-N 3.32Å; L640-L643 PolarHBondContact O-N 3.1Å; L640-L643 VanDerWaalsContact O-N 3.1Å; L643-S646 WeakPolarHBondContact CA-OG 3.4Å; L643-S646 PolarHBondContact O-N 3.02Å; L643-S646 PolarHBondContact O-OG 3.14Å; L643-K647 PolarHBondContact O-N 3.31Å; L643-L648 HydrophobicContact CD2-CD1 4.04Å; L643-L648 PolarHBondContact O-N 3.4Å; L643-L648 VanDerWaalsContact O-N 3.07Å; L643-L649 HydrophobicContact CB-CB 4.46Å; L643-L649 HydrophobicContact CB-CD1 3.75Å; L643-L649 HydrophobicContact CB-CG 4.02Å; L643-L649 HydrophobicContact CD1-CD1 3.78Å; L643-L649 HydrophobicContact CG-CD1 4.42Å; L643-L649 PolarHBondContact O-N 2.97Å; L643-I684 HydrophobicContact CD2-CD1 3.9Å
644	L	93.2	Very high	90.1	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-48.2	173.8	-72.3	169	0	0	0	111.2	L640 S646 K647 L649 L651 V658 L663 I669	L640-L644 WeakPolarHBondContact O-CB 3.27Å; L640-L644 VanDerWaalsContact O-CG 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.47Å; L640-L644 PolarHBondContact O-N 3.46Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.46Å; L644-K647 WeakPolarHBondContact O-CA 3.36Å; L644-K647 PolarHBondContact O-N 3.35Å; L644-L649 HydrophobicContact CD2-CB 3.98Å; L644-L649 HydrophobicContact CG-CB 4.46Å; L644-L651 HydrophobicContact CD1-CD2 4.24Å; L644-L651 HydrophobicContact CD1-CG 4.26Å; L644-L651 HydrophobicContact CD2-CD2 4.37Å; L644-L651 HydrophobicContact CD2-CG 4Å; L644-V658 HydrophobicContact CB-CB 4.46Å; L644-V658 HydrophobicContact CB-CG1 3.5Å; L644-V658 VanDerWaalsContact CB-CG1 3.5Å; L644-V658 HydrophobicContact CB-CG2 4.04Å; L644-V658 HydrophobicContact CD1-CG1 4.06Å; L644-V658 HydrophobicContact CG-CG1 4.43Å; L644-L663 HydrophobicContact CD1-CD1 4.5Å; L644-L663 HydrophobicContact CD1-CD2 4.22Å; L644-I669 HydrophobicContact CD2-CG2 4.37Å
645	K	90.3	Very high	89.7	Confident	101 Å²	101	48.1 Å²	48.1	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-35.3	175.5	-76.1	175.7	-177.6	176	0	112.9	Q641 I642 K647 V658 D659	Q641-K645 WeakPolarHBondContact O-CB 3.44Å; Q641-K645 VanDerWaalsContact O-CG 3.24Å; Q641-K645 WeakPolarHBondContact O-CG 3.47Å; Q641-K645 PolarHBondContact O-N 3.13Å; I642-K645 PolarHBondContact O-N 3.28Å; K645-K647 PolarHBondContact O-N 3.35Å; K645-V658 HydrophobicContact CG-CB 4.35Å; K645-V658 HydrophobicContact CG-CG1 3.89Å; K645-D659 VanDerWaalsContact CE-CG 3.46Å; K645-D659 WeakPolarHBondContact CE-OD1 3.4Å; K645-D659 WeakPolarHBondContact CE-OD2 3.35Å; K645-D659 IonicContact NZ-OD1 3.42Å; K645-D659 PolarHBondContact NZ-OD1 2.91Å; K645-D659 IonicContact NZ-OD2 2.89Å
646	S	89.8	Confident	89.3	Confident	31 Å²	31	47.7 Å²	47.7	22%	0.217	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.1	174.6	76.2	0	0	0	0	112.9	I642 L643 L644 L648 Y675	I642-S646 WeakPolarHBondContact O-CB 3.23Å; I642-S646 PolarHBondContact O-N 3.07Å; I642-S646 PolarHBondContact O-OG 3.22Å; L643-S646 WeakPolarHBondContact CA-OG 3.4Å; L643-S646 PolarHBondContact O-N 3.02Å; L643-S646 PolarHBondContact O-OG 3.14Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.46Å; S646-L648 PolarHBondContact O-N 3.39Å; S646-L648 WeakPolarHBondContact OG-CD1 3.3Å; S646-L648 WeakPolarHBondContact OG-CG 3.49Å; S646-Y675 VanDerWaalsContact O-CE2 3.29Å; S646-Y675 WeakPolarHBondContact O-CE2 3.32Å
647	K	90.8	Very high	88.8	Confident	134 Å²	134	51.4 Å²	51.4	58%	0.583	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	31.7	-172.6	-61.6	-164.1	172.3	-162.6	0	113.7	L643 L644 K645 Y672 Y675	L643-K647 PolarHBondContact O-N 3.31Å; L644-K647 WeakPolarHBondContact O-CA 3.36Å; L644-K647 PolarHBondContact O-N 3.35Å; K645-K647 PolarHBondContact O-N 3.35Å; K647-Y672 HydrophobicContact CB-CD1 4.26Å; K647-Y672 WeakPolarHBondContact O-CB 3.45Å; K647-Y672 WeakPolarHBondContact O-CD1 2.77Å; K647-Y675 VanDerWaalsContact O-CD2 3.31Å; K647-Y675 WeakPolarHBondContact O-CD2 3.39Å
648	L	92.4	Very high	88.3	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	26%	0.262	C	S	.	.	S	Bend	trans	-83.9	-32.1	167.1	-71	171.9	0	0	0	110.9	F595 L601 L611 L643 S646 Y672 Y675 I684	F595-L648 HydrophobicContact CE2-CD2 4.05Å; F595-L648 HydrophobicContact CZ-CD2 4.22Å; L601-L648 HydrophobicContact CD1-CD1 3.77Å; L601-L648 HydrophobicContact CD1-CD2 3.94Å; L601-L648 HydrophobicContact CD2-CD1 4.44Å; L601-L648 HydrophobicContact CD2-CD2 4.41Å; L611-L648 HydrophobicContact CD1-CD1 4.39Å; L611-L648 HydrophobicContact CD2-CB 4.47Å; L643-L648 HydrophobicContact CD2-CD1 4.04Å; L643-L648 PolarHBondContact O-N 3.4Å; L643-L648 VanDerWaalsContact O-N 3.07Å; S646-L648 PolarHBondContact O-N 3.39Å; S646-L648 WeakPolarHBondContact OG-CD1 3.3Å; S646-L648 WeakPolarHBondContact OG-CG 3.49Å; L648-Y672 PolarHBondContact O-N 3.33Å; L648-Y675 HydrophobicContact CD2-CD1 4.36Å; L648-Y675 HydrophobicContact CD2-CD2 3.89Å; L648-Y675 HydrophobicContact CD2-CE1 4.32Å; L648-Y675 HydrophobicContact CD2-CE2 3.81Å; L648-Y675 HydrophobicContact CD2-CG 4.15Å; L648-Y675 HydrophobicContact CG-CD2 4.49Å; L648-Y675 HydrophobicContact CG-CE2 4.21Å; L648-I684 HydrophobicContact CD1-CD1 3.7Å; L648-I684 HydrophobicContact CD1-CG2 4.12Å
649	L	94.2	Very high	87.8	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	161.6	174.2	-59.8	-179.7	0	0	0	109.6	I610 L611 Y614 L640 L643 L644 I669 K670 L671	I610-L649 HydrophobicContact CG2-CD1 4.29Å; L611-L649 HydrophobicContact CD2-CD2 4.49Å; Y614-L649 HydrophobicContact CD2-CD2 4.04Å; Y614-L649 HydrophobicContact CE1-CD2 4.13Å; Y614-L649 HydrophobicContact CE2-CD1 4.16Å; Y614-L649 HydrophobicContact CE2-CD2 3.54Å; L640-L649 HydrophobicContact CD2-CD1 3.91Å; L643-L649 HydrophobicContact CB-CB 4.46Å; L643-L649 HydrophobicContact CB-CD1 3.75Å; L643-L649 HydrophobicContact CB-CG 4.02Å; L643-L649 HydrophobicContact CD1-CD1 3.78Å; L643-L649 HydrophobicContact CG-CD1 4.42Å; L643-L649 PolarHBondContact O-N 2.97Å; L644-L649 HydrophobicContact CD2-CB 3.98Å; L644-L649 HydrophobicContact CG-CB 4.46Å; L649-I669 HydrophobicContact CB-CG2 3.74Å; L649-I669 HydrophobicContact CD1-CG2 3.83Å; L649-I669 HydrophobicContact CD2-CG2 4.46Å; L649-I669 HydrophobicContact CG-CG2 4.21Å; L649-K670 CarbonylContact C-O 3.56Å; L649-K670 WeakPolarHBondContact CA-O 3.19Å; L649-L671 HydrophobicContact CD2-CD1 4.35Å
650	V	93.7	Very high	87.2	Confident	19 Å²	19	62.9 Å²	62.9	12%	0.115	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.1	-175	37.1	0	0	0	0	109.5	E654 K670 Y672	V650-E654 HydrophobicContact CG2-CG 3.59Å; V650-K670 HydrophobicContact CG1-CB 4.11Å; V650-K670 WeakPolarHBondContact CG1-O 3.49Å; V650-K670 PolarHBondContact N-O 2.99Å; V650-K670 PolarHBondContact O-N 2.76Å; V650-Y672 HydrophobicContact CB-CD2 4.19Å; V650-Y672 HydrophobicContact CG1-CD2 3.92Å; V650-Y672 HydrophobicContact CG1-CG 4.27Å
651	L	92.3	Very high	86.6	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	160.9	170	-67.7	171.1	0	0	0	109.9	L644 D653 A656 V661 L663 T667 I669	L644-L651 HydrophobicContact CD1-CD2 4.24Å; L644-L651 HydrophobicContact CD1-CG 4.26Å; L644-L651 HydrophobicContact CD2-CD2 4.37Å; L644-L651 HydrophobicContact CD2-CG 4Å; L651-D653 CarbonylContact O-C 3.52Å; L651-D653 PolarHBondContact O-N 3.22Å; L651-A656 HydrophobicContact CD1-CB 4.16Å; L651-V661 HydrophobicContact CD1-CB 4.25Å; L651-V661 HydrophobicContact CD1-CG1 3.98Å; L651-V661 HydrophobicContact CD1-CG2 4.05Å; L651-L663 HydrophobicContact CD2-CD2 4.08Å; L651-T667 HydrophobicContact CD2-CG2 3.7Å; L651-I669 HydrophobicContact CD2-CG1 4.34Å
652	E	85.9	Confident	86.3	Confident	134 Å²	134	69.8 Å²	69.8	63%	0.626	35%	0.352	S	S	*	.	S	Bend	trans	-57.3	-35.2	176.1	-173.8	153.2	-115	0	0	113.3	K670	E652-K670 IonicContact OE1-NZ 2.65Å; E652-K670 PolarHBondContact OE1-NZ 3.03Å
653	D	84.2	Confident	86.1	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	35%	0.349	S	S	.	.	S	Bend	trans	-91.1	102	164.5	-176.5	2.1	0	0	0	110.3	L651 N655 A656	L651-D653 CarbonylContact O-C 3.52Å; L651-D653 PolarHBondContact O-N 3.22Å; D653-N655 PolarHBondContact O-N 3.08Å; D653-N655 WeakPolarHBondContact OD1-CB 3.46Å; D653-N655 PolarHBondContact OD1-N 3.39Å; D653-A656 HydrophobicContact CB-CB 4.13Å; D653-A656 WeakPolarHBondContact O-CB 3.39Å; D653-A656 PolarHBondContact O-N 3.36Å
654	E	75.9	Confident	85.9	Confident	140 Å²	140	75 Å²	75	65%	0.654	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	177.7	-71.3	-164	173.8	0	0	113.8	V650	V650-E654 HydrophobicContact CG2-CG 3.59Å
655	N	77.9	Confident	85.8	Confident	154 Å²	154	77.6 Å²	77.6	82%	0.824	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.8	-179.6	-62.1	-48.1	0	0	0	112.9	D653 N657	D653-N655 PolarHBondContact O-N 3.08Å; D653-N655 WeakPolarHBondContact OD1-CB 3.46Å; D653-N655 PolarHBondContact OD1-N 3.39Å; N655-N657 PolarHBondContact O-N 3.43Å
656	A	79.4	Confident	85.9	Confident	28 Å²	28	78.5 Å²	78.5	23%	0.231	40%	0.401	C	S	.	.	S	Bend	trans	-64.9	134.8	-178.6	0	0	0	0	0	111.6	L651 D653 V658 V661	L651-A656 HydrophobicContact CD1-CB 4.16Å; D653-A656 HydrophobicContact CB-CB 4.13Å; D653-A656 WeakPolarHBondContact O-CB 3.39Å; D653-A656 PolarHBondContact O-N 3.36Å; A656-V658 PolarHBondContact O-N 3.18Å; A656-V658 VanDerWaalsContact O-N 3.1Å; A656-V661 HydrophobicContact CB-CG2 4.02Å
657	N	81.8	Confident	86.1	Confident	79 Å²	79	78.4 Å²	78.4	42%	0.422	40%	0.399	S	S	.	.			trans	-72.9	104.1	175.4	-174.7	-0.3	0	0	0	110.2	N655 D659 E660 V661	N655-N657 PolarHBondContact O-N 3.43Å; N657-D659 PolarHBondContact O-N 2.79Å; N657-D659 PolarHBondContact OD1-N 3.09Å; N657-E660 HydrophobicContact CB-CB 4.38Å; N657-E660 HydrophobicContact CB-CG 4.5Å; N657-E660 VanDerWaalsContact ND2-CD 3.32Å; N657-E660 PolarHBondContact ND2-OE1 3.47Å; N657-E660 PolarHBondContact O-N 3.25Å; N657-V661 WeakPolarHBondContact O-CG2 3.32Å; N657-V661 PolarHBondContact O-N 3.24Å
658	V	81.3	Confident	86.2	Confident	30 Å²	30	74.4 Å²	74.4	18%	0.182	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-28	-177.9	-179.3	0	0	0	0	113.4	L644 K645 A656	L644-V658 HydrophobicContact CB-CB 4.46Å; L644-V658 HydrophobicContact CB-CG1 3.5Å; L644-V658 VanDerWaalsContact CB-CG1 3.5Å; L644-V658 HydrophobicContact CB-CG2 4.04Å; L644-V658 HydrophobicContact CD1-CG1 4.06Å; L644-V658 HydrophobicContact CG-CG1 4.43Å; K645-V658 HydrophobicContact CG-CB 4.35Å; K645-V658 HydrophobicContact CG-CG1 3.89Å; A656-V658 PolarHBondContact O-N 3.18Å; A656-V658 VanDerWaalsContact O-N 3.1Å
659	D	78.4	Confident	86.4	Confident	104 Å²	104	74.2 Å²	74.2	56%	0.556	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.7	178.2	-84.1	-60.8	0	0	0	114	K645 N657	K645-D659 VanDerWaalsContact CE-CG 3.46Å; K645-D659 WeakPolarHBondContact CE-OD1 3.4Å; K645-D659 WeakPolarHBondContact CE-OD2 3.35Å; K645-D659 IonicContact NZ-OD1 3.42Å; K645-D659 PolarHBondContact NZ-OD1 2.91Å; K645-D659 IonicContact NZ-OD2 2.89Å; N657-D659 PolarHBondContact O-N 2.79Å; N657-D659 PolarHBondContact OD1-N 3.09Å
660	E	79.2	Confident	86.4	Confident	158 Å²	158	77.4 Å²	77.4	74%	0.738	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-13.6	-176.1	-69.2	172.6	-163.6	0	0	112.8	N657 E662	N657-E660 HydrophobicContact CB-CB 4.38Å; N657-E660 HydrophobicContact CB-CG 4.5Å; N657-E660 VanDerWaalsContact ND2-CD 3.32Å; N657-E660 PolarHBondContact ND2-OE1 3.47Å; N657-E660 PolarHBondContact O-N 3.25Å; E660-E662 PolarHBondContact O-N 3.26Å
661	V	80.7	Confident	86.4	Confident	40 Å²	40	77.7 Å²	77.7	24%	0.242	40%	0.398	C	S	.	.			trans	-79.9	115.6	-178.7	176.5	0	0	0	0	110.6	L651 A656 N657 L663	L651-V661 HydrophobicContact CD1-CB 4.25Å; L651-V661 HydrophobicContact CD1-CG1 3.98Å; L651-V661 HydrophobicContact CD1-CG2 4.05Å; A656-V661 HydrophobicContact CB-CG2 4.02Å; N657-V661 WeakPolarHBondContact O-CG2 3.32Å; N657-V661 PolarHBondContact O-N 3.24Å; V661-L663 HydrophobicContact CG1-CD2 4.29Å; V661-L663 PolarHBondContact O-N 3.37Å
662	E	84.9	Confident	86.4	Confident	160 Å²	160	80 Å²	80	75%	0.748	41%	0.406	S	S	*	.			trans	-77.3	114.2	165.5	-169.7	174.5	-161.5	0	0	109.4	E660 K664	E660-E662 PolarHBondContact O-N 3.26Å; E662-K664 PolarHBondContact O-N 3.42Å
663	L	88.5	Confident	86.6	Confident	18 Å²	18	78.5 Å²	78.5	9%	0.094	40%	0.401	C	S	.	.			trans	-73.6	109.4	-178.6	-66.4	174.2	0	0	0	110.1	V622 A637 L640 Q641 L644 L651 V661 T667 I669	V622-L663 HydrophobicContact CG2-CB 4.42Å; A637-L663 HydrophobicContact CB-CD1 4.22Å; L640-L663 HydrophobicContact CB-CD1 3.67Å; L640-L663 HydrophobicContact CD1-CD1 4.15Å; Q641-L663 HydrophobicContact CG-CD1 4.27Å; L644-L663 HydrophobicContact CD1-CD1 4.5Å; L644-L663 HydrophobicContact CD1-CD2 4.22Å; L651-L663 HydrophobicContact CD2-CD2 4.08Å; V661-L663 HydrophobicContact CG1-CD2 4.29Å; V661-L663 PolarHBondContact O-N 3.37Å; L663-T667 HydrophobicContact CD2-CG2 4.06Å; L663-I669 HydrophobicContact CD2-CD1 4.49Å
664	K	89.9	Confident	86.8	Confident	122 Å²	122	75.9 Å²	75.9	53%	0.53	40%	0.396	S	S	.	.			trans	-88.8	157.2	175.4	-63	-179.5	-175.1	176.6	0	110.8	V622 E662 D666 T667	V622-K664 WeakPolarHBondContact CB-O 3.31Å; E662-K664 PolarHBondContact O-N 3.42Å; K664-D666 WeakPolarHBondContact CB-OD1 3.37Å; K664-D666 PolarHBondContact O-N 2.89Å; K664-D666 VanDerWaalsContact O-N 3.14Å; K664-T667 PolarHBondContact N-OG1 2.88Å; K664-T667 VanDerWaalsContact O-CB 3.23Å; K664-T667 WeakPolarHBondContact O-CB 3.26Å; K664-T667 PolarHBondContact O-N 3.29Å; K664-T667 PolarHBondContact O-OG1 3.36Å
665	P	90.8	Very high	87.5	Confident	63 Å²	63	69.7 Å²	69.7	41%	0.409	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-34	-180	-25.1	32.4	0	0	0	114.6	V622 Q623 M633	V622-P665 PolarHBondContact N-O 3.03Å; Q623-P665 HydrophobicContact CB-CB 4.07Å; Q623-P665 VanDerWaalsContact CB-O 3.28Å; Q623-P665 WeakPolarHBondContact CB-O 3.44Å; Q623-P665 PolarHBondContact N-O 2.72Å; M633-P665 HydrophobicContact CE-CB 4.2Å; M633-P665 HydrophobicContact CE-CG 4Å
666	D	92.5	Very high	88.1	Confident	120 Å²	120	71.3 Å²	71.3	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-4.7	179.9	61.2	-26.8	0	0	0	114.1	K664 L668	K664-D666 WeakPolarHBondContact CB-OD1 3.37Å; K664-D666 PolarHBondContact O-N 2.89Å; K664-D666 VanDerWaalsContact O-N 3.14Å; D666-L668 PolarHBondContact O-N 3.32Å
667	T	93.4	Very high	88.6	Confident	30 Å²	30	72.9 Å²	72.9	18%	0.184	37%	0.371	C	S	.	.			trans	-64.2	125.5	-179.6	-58.1	0	0	0	0	110.3	T621 V622 L651 L663 K664	T621-T667 CarbonylContact C-O 3.54Å; T621-T667 VanDerWaalsContact CA-O 3.29Å; T621-T667 WeakPolarHBondContact CA-O 3.18Å; V622-T667 WeakPolarHBondContact CG2-O 3.36Å; V622-T667 PolarHBondContact N-O 3.45Å; L651-T667 HydrophobicContact CD2-CG2 3.7Å; L663-T667 HydrophobicContact CD2-CG2 4.06Å; K664-T667 PolarHBondContact N-OG1 2.88Å; K664-T667 VanDerWaalsContact O-CB 3.23Å; K664-T667 WeakPolarHBondContact O-CB 3.26Å; K664-T667 PolarHBondContact O-N 3.29Å; K664-T667 PolarHBondContact O-OG1 3.36Å
668	L	93.9	Very high	89	Confident	49 Å²	49	79.5 Å²	79.5	26%	0.257	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.4	179.2	-171.8	67.9	0	0	0	111.1	A619 T621 D666 K670	A619-L668 HydrophobicContact CB-CD1 4.19Å; T621-L668 HydrophobicContact CG2-CD1 4.17Å; D666-L668 PolarHBondContact O-N 3.32Å; L668-K670 HydrophobicContact CG-CG 4.49Å
669	I	95.1	Very high	89.5	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	-179.2	-55.6	-175.3	0	0	0	109.4	Y614 A619 Y620 V622 L640 L644 L649 L651 L663	Y614-I669 WeakPolarHBondContact OH-CG2 3.31Å; Y614-I669 PolarHBondContact OH-O 2.88Å; A619-I669 WeakPolarHBondContact CA-O 3.33Å; Y620-I669 PolarHBondContact N-O 3.16Å; Y620-I669 PolarHBondContact O-N 3.42Å; V622-I669 HydrophobicContact CG2-CD1 3.68Å; V622-I669 HydrophobicContact CG2-CG1 4.22Å; L640-I669 HydrophobicContact CB-CD1 4.28Å; L640-I669 HydrophobicContact CD1-CD1 3.58Å; L640-I669 HydrophobicContact CD2-CD1 3.75Å; L640-I669 HydrophobicContact CG-CD1 4.07Å; L644-I669 HydrophobicContact CD2-CG2 4.37Å; L649-I669 HydrophobicContact CB-CG2 3.74Å; L649-I669 HydrophobicContact CD1-CG2 3.83Å; L649-I669 HydrophobicContact CD2-CG2 4.46Å; L649-I669 HydrophobicContact CG-CG2 4.21Å; L651-I669 HydrophobicContact CD2-CG1 4.34Å; L663-I669 HydrophobicContact CD2-CD1 4.49Å
670	K	94.7	Very high	90.1	Very high	71 Å²	71	85.4 Å²	85.4	31%	0.309	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.8	-176.1	-60	178.4	-174.9	165.5	0	111.2	D618 A619 L649 V650 E652 L668	D618-K670 CarbonylContact O-C 3.56Å; D618-K670 VanDerWaalsContact O-CA 3.3Å; D618-K670 WeakPolarHBondContact O-CA 3.29Å; A619-K670 HydrophobicContact CB-CG 3.84Å; L649-K670 CarbonylContact C-O 3.56Å; L649-K670 WeakPolarHBondContact CA-O 3.19Å; V650-K670 HydrophobicContact CG1-CB 4.11Å; V650-K670 WeakPolarHBondContact CG1-O 3.49Å; V650-K670 PolarHBondContact N-O 2.99Å; V650-K670 PolarHBondContact O-N 2.76Å; E652-K670 IonicContact OE1-NZ 2.65Å; E652-K670 PolarHBondContact OE1-NZ 3.03Å; L668-K670 HydrophobicContact CG-CG 4.49Å
671	L	93.9	Very high	90.8	Very high	25 Å²	25	84.9 Å²	84.9	13%	0.131	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.7	172.1	-178.1	66.6	0	0	0	110.4	C594 Y614 D618 L649 L673	C594-L671 HydrophobicContact CB-CD2 4.46Å; Y614-L671 HydrophobicContact CD1-CB 3.76Å; Y614-L671 HydrophobicContact CE1-CB 4.27Å; Y614-L671 HydrophobicContact CG-CB 4.37Å; Y614-L671 HydrophobicContact CG-CD1 4.46Å; D618-L671 PolarHBondContact O-N 2.98Å; L649-L671 HydrophobicContact CD2-CD1 4.35Å; L671-L673 HydrophobicContact CD2-CD2 3.88Å; L671-L673 HydrophobicContact CG-CD2 4.28Å; L671-L673 PolarHBondContact O-N 3.46Å
672	Y	92.9	Very high	91.4	Very high	63 Å²	63	83.8 Å²	83.8	25%	0.247	40%	0.403	C	S	.	.			trans	-88.3	95.4	179.4	-174.1	-112.6	0	0	0	112.2	F595 K647 L648 V650 G674	F595-Y672 WeakPolarHBondContact CE1-O 3.33Å; K647-Y672 HydrophobicContact CB-CD1 4.26Å; K647-Y672 WeakPolarHBondContact O-CB 3.45Å; K647-Y672 WeakPolarHBondContact O-CD1 2.77Å; L648-Y672 PolarHBondContact O-N 3.33Å; V650-Y672 HydrophobicContact CB-CD2 4.19Å; V650-Y672 HydrophobicContact CG1-CD2 3.92Å; V650-Y672 HydrophobicContact CG1-CG 4.27Å; Y672-G674 VanDerWaalsContact CE1-CA 3.49Å; Y672-G674 WeakPolarHBondContact CE1-O 3.33Å; Y672-G674 PolarHBondContact O-N 2.94Å
673	L	89.3	Confident	91.7	Very high	102 Å²	102	80.7 Å²	80.7	53%	0.534	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.2	-179.6	-62.2	177.8	0	0	0	114.5	C594 L671 Y675	C594-L673 HydrophobicContact CB-CD2 4.28Å; L671-L673 HydrophobicContact CD2-CD2 3.88Å; L671-L673 HydrophobicContact CG-CD2 4.28Å; L671-L673 PolarHBondContact O-N 3.46Å; L673-Y675 VanDerWaalsContact C-N 3.26Å; L673-Y675 PolarHBondContact O-N 2.78Å
674	G	89	Confident	91.9	Very high	37 Å²	37	80.1 Å²	80.1	38%	0.381	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	10.1	-179.8	0	0	0	0	0	115.5	Y672 K676	Y672-G674 VanDerWaalsContact CE1-CA 3.49Å; Y672-G674 WeakPolarHBondContact CE1-O 3.33Å; Y672-G674 PolarHBondContact O-N 2.94Å; G674-K676 PolarHBondContact O-N 3.35Å
675	Y	90.6	Very high	91.9	Very high	11 Å²	11	76.5 Å²	76.5	4%	0.043	38%	0.376	C	S	.	.			trans	-58.5	128.2	-169.6	-174.1	-105	0	0	0	113.9	F595 Y599 S646 K647 L648 L673 N677	F595-Y675 AromaticContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CG 4.23Å; F595-Y675 AromaticContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CG 4.01Å; F595-Y675 HydrophobicContact CG-CD1 4.5Å; F595-Y675 HydrophobicContact CZ-CG 4.27Å; Y599-Y675 HydrophobicContact CD1-CE1 4.13Å; Y599-Y675 AromaticContact CD2-CD1 3.77Å; Y599-Y675 HydrophobicContact CD2-CD1 3.77Å; Y599-Y675 AromaticContact CD2-CE1 3.92Å; Y599-Y675 HydrophobicContact CD2-CE1 3.92Å; Y599-Y675 HydrophobicContact CE1-CE1 4.24Å; Y599-Y675 AromaticContact CE2-CD1 3.63Å; Y599-Y675 HydrophobicContact CE2-CD1 3.63Å; Y599-Y675 AromaticContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CG-CD1 4.31Å; Y599-Y675 AromaticContact CG-CE1 3.98Å; Y599-Y675 HydrophobicContact CG-CE1 3.98Å; S646-Y675 VanDerWaalsContact O-CE2 3.29Å; S646-Y675 WeakPolarHBondContact O-CE2 3.32Å; K647-Y675 VanDerWaalsContact O-CD2 3.31Å; K647-Y675 WeakPolarHBondContact O-CD2 3.39Å; L648-Y675 HydrophobicContact CD2-CD1 4.36Å; L648-Y675 HydrophobicContact CD2-CD2 3.89Å; L648-Y675 HydrophobicContact CD2-CE1 4.32Å; L648-Y675 HydrophobicContact CD2-CE2 3.81Å; L648-Y675 HydrophobicContact CD2-CG 4.15Å; L648-Y675 HydrophobicContact CG-CD2 4.49Å; L648-Y675 HydrophobicContact CG-CE2 4.21Å; L673-Y675 VanDerWaalsContact C-N 3.26Å; L673-Y675 PolarHBondContact O-N 2.78Å; Y675-N677 HydrophobicContact CE1-CB 3.92Å; Y675-N677 PolarHBondContact OH-ND2 3.28Å
676	K	89.7	Confident	91.6	Very high	187 Å²	187	77.2 Å²	77.2	81%	0.813	38%	0.379	S	S	*	.			trans	-137	128.6	175.2	-68.1	179.7	-174.8	172.8	0	110.5	G674	G674-K676 PolarHBondContact O-N 3.35Å
677	N	90.3	Very high	90.9	Very high	61 Å²	61	75.7 Å²	75.7	33%	0.326	38%	0.375	S	S	.	.			trans	-134.4	146.3	174	-160	-49.6	0	0	0	110.6	Y599 Y675 K679 V682	Y599-N677 HydrophobicContact CD1-CB 4.32Å; Y599-N677 HydrophobicContact CE1-CB 3.79Å; Y599-N677 PolarHBondContact OH-N 2.92Å; Y675-N677 HydrophobicContact CE1-CB 3.92Å; Y675-N677 PolarHBondContact OH-ND2 3.28Å; N677-K679 PolarHBondContact O-N 3.46Å; N677-K679 PolarHBondContact OD1-N 3.21Å; N677-V682 HydrophobicContact CB-CG2 4.07Å
678	K	91	Very high	90.2	Very high	218 Å²	218	75.4 Å²	75.4	95%	0.948	37%	0.372	S	S	*	.	S	Bend	trans	-66.4	-28.3	174.6	-66.5	-174.8	-179.5	-178.6	0	112.2
679	K	90.9	Very high	89.1	Confident	148 Å²	148	81.3 Å²	81.3	64%	0.643	40%	0.396	S	S	*	.			trans	-103	136.4	179.4	-62.9	-177.3	179.8	-179.3	0	110	Y599 N677 V682	Y599-K679 WeakPolarHBondContact CD1-O 3.36Å; N677-K679 PolarHBondContact O-N 3.46Å; N677-K679 PolarHBondContact OD1-N 3.21Å; K679-V682 VanDerWaalsContact O-CG2 3.28Å; K679-V682 WeakPolarHBondContact O-CG2 3.13Å
680	L	92.1	Very high	87.8	Confident	110 Å²	110	85.3 Å²	85.3	58%	0.576	42%	0.42	S	S	*	.	S	Bend	trans	-74.8	-34.2	173.9	-66.9	175.7	0	0	0	112.2	N597 Y599 T600	N597-L680 HydrophobicContact CB-CD2 4.46Å; Y599-L680 CarbonylContact C-O 3.52Å; Y599-L680 VanDerWaalsContact CA-O 3.3Å; Y599-L680 WeakPolarHBondContact CA-O 3.44Å; Y599-L680 HydrophobicContact CD1-CD2 4.38Å; Y599-L680 HydrophobicContact CE1-CD2 4.31Å; T600-L680 PolarHBondContact N-O 2.99Å
681	R	93.4	Very high	86.6	Confident	147 Å²	147	85.8 Å²	85.8	56%	0.555	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	115.2	172.3	-159.2	170.5	-167.6	168.5	3.6	108.9	E589 T600	E589-R681 IonicContact OE1-CZ 3.01Å; E589-R681 VanDerWaalsContact OE1-CZ 3.25Å; E589-R681 IonicContact OE1-NE 3.75Å; E589-R681 PolarHBondContact OE1-NE 3.46Å; E589-R681 IonicContact OE1-NH2 2.8Å; E589-R681 PolarHBondContact OE1-NH2 3.46Å; E589-R681 IonicContact OE2-CZ 3.48Å; E589-R681 IonicContact OE2-NE 2.71Å; E589-R681 IonicContact OE2-NH2 3.71Å; E589-R681 PolarHBondContact OE2-NH2 3.18Å; T600-R681 HydrophobicContact CG2-CG 4.18Å; T600-R681 CarbonylContact O-C 3.46Å; T600-R681 WeakPolarHBondContact O-CA 3.37Å
682	V	93.6	Very high	85.6	Confident	17 Å²	17	89.7 Å²	89.7	10%	0.103	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.3	-172.1	-174.5	0	0	0	0	108.6	Y599 T600 L601 Q602 N677 K679 I684	Y599-V682 HydrophobicContact CD1-CG2 4.41Å; T600-V682 PolarHBondContact O-N 2.9Å; L601-V682 CarbonylContact C-O 3.44Å; L601-V682 WeakPolarHBondContact CA-O 3.34Å; L601-V682 HydrophobicContact CD2-CB 4.02Å; Q602-V682 PolarHBondContact N-O 3.41Å; N677-V682 HydrophobicContact CB-CG2 4.07Å; K679-V682 VanDerWaalsContact O-CG2 3.28Å; K679-V682 WeakPolarHBondContact O-CG2 3.13Å; V682-I684 HydrophobicContact CG1-CG2 4.04Å
683	N	91.1	Very high	84.7	Confident	95 Å²	95	93.4 Å²	93.4	51%	0.508	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.3	173.2	-175.9	12.5	0	0	0	109.9	Q602 N685	Q602-N683 HydrophobicContact CB-CB 4.33Å; Q602-N683 PolarHBondContact O-OD1 2.95Å; N683-N685 WeakPolarHBondContact OD1-CB 3.24Å; N683-N685 PolarHBondContact OD1-N 3.44Å
684	I	92.9	Very high	84.1	Confident	6 Å²	6	94.1 Å²	94.1	3%	0.031	46%	0.459	C	S	.	.			trans	-105.7	-4.7	175.7	61.6	169	0	0	0	112.3	L601 Q602 A603 Q607 L611 L643 L648 V682 V686	L601-I684 HydrophobicContact CB-CD1 4.19Å; L601-I684 HydrophobicContact CB-CG1 4.47Å; L601-I684 HydrophobicContact CD1-CD1 4.35Å; Q602-I684 WeakPolarHBondContact O-CG1 3.03Å; Q602-I684 PolarHBondContact O-N 3.02Å; A603-I684 HydrophobicContact CB-CD1 3.87Å; A603-I684 HydrophobicContact CB-CG1 3.9Å; Q607-I684 PolarHBondContact NE2-O 2.93Å; Q607-I684 PolarHBondContact OE1-O 3.35Å; L611-I684 HydrophobicContact CD1-CD1 3.98Å; L643-I684 HydrophobicContact CD2-CD1 3.9Å; L648-I684 HydrophobicContact CD1-CD1 3.7Å; L648-I684 HydrophobicContact CD1-CG2 4.12Å; V682-I684 HydrophobicContact CG1-CG2 4.04Å; I684-V686 PolarHBondContact O-N 3.34Å
685	N	90	Very high	83.5	Confident	46 Å²	46	94.8 Å²	94.8	25%	0.246	45%	0.452	C	S	.	.			trans	-75.1	73.9	174.8	-171.5	5.4	0	0	0	110.7	Q602 N683	Q602-N685 PolarHBondContact O-N 2.94Å; Q602-N685 VanDerWaalsContact O-N 3.08Å; N683-N685 WeakPolarHBondContact OD1-CB 3.24Å; N683-N685 PolarHBondContact OD1-N 3.44Å
686	V	84	Confident	82.9	Confident	78 Å²	78	96.6 Å²	96.6	47%	0.473	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-94.7	134	178.2	-174.3	0	0	0	0	109.1	I684	I684-V686 PolarHBondContact O-N 3.34Å
687	P	77	Confident	82.5	Confident	88 Å²	88	93.3 Å²	93.3	57%	0.571	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-58.7	140.4	177.2	-22.3	31.8	0	0	0	112.7
688	M	78.7	Confident	82.2	Confident	24 Å²	24	92.4 Å²	92.4	12%	0.118	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-78.2	135.1	177.8	-59.4	-174.5	-148	0	0	111	I635 Q638 V639 I642 E691	I635-M688 HydrophobicContact CG2-CE 4.13Å; I635-M688 HydrophobicContact CG2-SD 4.26Å; Q638-M688 HydrophobicContact CB-CG 4.43Å; Q638-M688 HydrophobicContact CB-SD 3.92Å; V639-M688 HydrophobicContact CG2-CE 3.47Å; V639-M688 VanDerWaalsContact CG2-CE 3.47Å; V639-M688 HydrophobicContact CG2-SD 4.3Å; I642-M688 HydrophobicContact CD1-CG 4.2Å; M688-E691 HydrophobicContact CB-CB 4.05Å
689	K	70.2	Confident	81.9	Confident	174 Å²	174	82.6 Å²	82.6	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-68.3	-44.1	-175.6	-72.8	-176.3	179.2	178.8	0	112.6	E691 Q692	K689-E691 VanDerWaalsContact C-N 3.3Å; K689-E691 PolarHBondContact O-N 2.99Å; K689-Q692 PolarHBondContact O-N 2.86Å
690	T	68.2	Low	81.7	Confident	84 Å²	84	78 Å²	78	52%	0.515	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-39.1	-177.3	-48.5	0	0	0	0	111.1	Q638 Q692 K693 Q694	Q638-T690 VanDerWaalsContact OE1-CB 3.3Å; Q638-T690 PolarHBondContact OE1-OG1 2.74Å; Q638-T690 VanDerWaalsContact OE1-OG1 3.13Å; T690-Q692 VanDerWaalsContact C-N 3.34Å; T690-Q692 PolarHBondContact O-N 2.88Å; T690-K693 PolarHBondContact O-N 2.96Å; T690-Q694 PolarHBondContact O-N 3.29Å
691	E	70.3	Confident	81.4	Confident	81 Å²	81	79.1 Å²	79.1	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-56.9	-46.7	176.3	-170.6	-175.1	-175.3	0	0	111.1	M688 K689 K693 Q694 E695	M688-E691 HydrophobicContact CB-CB 4.05Å; K689-E691 VanDerWaalsContact C-N 3.3Å; K689-E691 PolarHBondContact O-N 2.99Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K693 PolarHBondContact O-N 2.71Å; E691-Q694 PolarHBondContact O-N 3.25Å; E691-E695 WeakPolarHBondContact O-CB 3.48Å; E691-E695 PolarHBondContact O-N 3.02Å
692	Q	72.5	Confident	81.2	Confident	106 Å²	106	74.4 Å²	74.4	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-41	-177.6	-68.9	179.8	-4.2	0	0	113.5	K689 T690 Q696	K689-Q692 PolarHBondContact O-N 2.86Å; T690-Q692 VanDerWaalsContact C-N 3.34Å; T690-Q692 PolarHBondContact O-N 2.88Å; Q692-Q696 PolarHBondContact O-N 2.98Å
693	K	73.3	Confident	81	Confident	142 Å²	142	73.9 Å²	73.9	62%	0.617	37%	0.367	S	S	*	.	H	α-helix	trans	-70.5	-48.8	-179.8	-171.2	180	177.3	-175.4	0	111.2	T690 E691 E695 Q696 E697	T690-K693 PolarHBondContact O-N 2.96Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K693 PolarHBondContact O-N 2.71Å; K693-E695 VanDerWaalsContact C-N 3.26Å; K693-E695 PolarHBondContact O-N 2.86Å; K693-Q696 WeakPolarHBondContact O-CB 3.38Å; K693-Q696 PolarHBondContact O-N 3.05Å; K693-Q696 VanDerWaalsContact O-N 3.12Å; K693-E697 PolarHBondContact O-N 3.2Å; K693-E697 VanDerWaalsContact O-N 3.15Å
694	Q	76.9	Confident	80.8	Confident	117 Å²	117	72.8 Å²	72.8	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-38.8	178.5	-170.2	177.5	14.5	0	0	111.6	T690 E691 Q696 E697 T698	T690-Q694 PolarHBondContact O-N 3.29Å; E691-Q694 PolarHBondContact O-N 3.25Å; Q694-Q696 VanDerWaalsContact C-N 3.31Å; Q694-Q696 PolarHBondContact O-N 2.94Å; Q694-E697 PolarHBondContact O-N 3.43Å; Q694-T698 WeakPolarHBondContact O-CB 3.48Å; Q694-T698 PolarHBondContact O-N 3.38Å; Q694-T698 PolarHBondContact O-OG1 3.04Å
695	E	77.4	Confident	80.7	Confident	50 Å²	50	76.8 Å²	76.8	23%	0.234	38%	0.377	C	S	.	.	H	α-helix	trans	-67.1	-33	179.1	-153.5	-157.9	-177.7	0	0	111.3	K468 K472 E691 K693 T699	K468-E695 WeakPolarHBondContact CE-OE1 3.28Å; K468-E695 WeakPolarHBondContact CE-OE2 3.36Å; K468-E695 VanDerWaalsContact NZ-C 3.32Å; K468-E695 PolarHBondContact NZ-O 3.31Å; K468-E695 IonicContact NZ-OE1 3.7Å; K468-E695 IonicContact NZ-OE2 2.76Å; K468-E695 PolarHBondContact NZ-OE2 3.46Å; K468-E695 VanDerWaalsContact NZ-OE2 3.08Å; K472-E695 WeakPolarHBondContact CE-OE1 3.3Å; K472-E695 IonicContact NZ-OE1 3.16Å; K472-E695 PolarHBondContact NZ-OE1 2.94Å; K472-E695 IonicContact NZ-OE2 2.63Å; K472-E695 PolarHBondContact NZ-OE2 2.92Å; E691-E695 WeakPolarHBondContact O-CB 3.48Å; E691-E695 PolarHBondContact O-N 3.02Å; K693-E695 VanDerWaalsContact C-N 3.26Å; K693-E695 PolarHBondContact O-N 2.86Å; E695-T699 WeakPolarHBondContact O-CB 3.39Å; E695-T699 PolarHBondContact O-N 3.02Å; E695-T699 PolarHBondContact O-OG1 3.48Å
696	Q	78.2	Confident	80.7	Confident	49 Å²	49	77.6 Å²	77.6	23%	0.229	38%	0.382	C	S	.	.	H	α-helix	trans	-69.6	-47.8	175.3	-176.7	173.1	1.6	0	0	111.6	E420 F465 Q692 K693 Q694 T698 T699 H700	E420-Q696 PolarHBondContact OE1-NE2 3.01Å; E420-Q696 PolarHBondContact OE2-NE2 3.34Å; F465-Q696 HydrophobicContact CE1-CG 4.21Å; F465-Q696 HydrophobicContact CZ-CG 4.27Å; Q692-Q696 PolarHBondContact O-N 2.98Å; K693-Q696 WeakPolarHBondContact O-CB 3.38Å; K693-Q696 PolarHBondContact O-N 3.05Å; K693-Q696 VanDerWaalsContact O-N 3.12Å; Q694-Q696 VanDerWaalsContact C-N 3.31Å; Q694-Q696 PolarHBondContact O-N 2.94Å; Q696-T698 VanDerWaalsContact C-N 3.33Å; Q696-T698 PolarHBondContact O-N 2.78Å; Q696-T699 WeakPolarHBondContact O-CB 3.31Å; Q696-T699 PolarHBondContact O-N 2.58Å; Q696-T699 VanDerWaalsContact O-N 3.13Å; Q696-H700 PolarHBondContact O-CD2 3.31Å; Q696-H700 PolarHBondContact O-N 3.1Å; Q696-H700 VanDerWaalsContact O-N 3.1Å
697	E	80	Confident	81.1	Confident	118 Å²	118	74.5 Å²	74.5	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-43.4	176.9	-69.7	173	-172.7	0	0	111.5	K693 Q694 T699 H700 K701	K693-E697 PolarHBondContact O-N 3.2Å; K693-E697 VanDerWaalsContact O-N 3.15Å; Q694-E697 PolarHBondContact O-N 3.43Å; E697-T699 VanDerWaalsContact C-N 3.28Å; E697-T699 PolarHBondContact O-N 2.84Å; E697-H700 PolarHBondContact O-N 3.18Å; E697-K701 PolarHBondContact O-N 3.05Å
698	T	85	Confident	81.9	Confident	43 Å²	43	75.2 Å²	75.2	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-37.7	175.2	-55.7	0	0	0	0	111.5	Q694 Q696 K701 N702	Q694-T698 WeakPolarHBondContact O-CB 3.48Å; Q694-T698 PolarHBondContact O-N 3.38Å; Q694-T698 PolarHBondContact O-OG1 3.04Å; Q696-T698 VanDerWaalsContact C-N 3.33Å; Q696-T698 PolarHBondContact O-N 2.78Å; T698-K701 PolarHBondContact O-N 2.88Å; T698-N702 WeakPolarHBondContact O-CB 3.44Å; T698-N702 PolarHBondContact O-N 3.13Å; T698-N702 PolarHBondContact O-ND2 2.99Å; T698-N702 PolarHBondContact O-OD1 3.41Å
699	T	85	Confident	82.6	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-45.5	177.1	-55.8	0	0	0	0	110.9	K464 F465 K468 E695 Q696 E697 N702 I703	K464-T699 HydrophobicContact CB-CG2 4.32Å; K464-T699 HydrophobicContact CG-CG2 3.69Å; F465-T699 HydrophobicContact CD1-CG2 4.24Å; F465-T699 HydrophobicContact CD2-CG2 4.36Å; F465-T699 HydrophobicContact CE1-CG2 3.96Å; F465-T699 HydrophobicContact CE2-CG2 4.09Å; F465-T699 HydrophobicContact CG-CG2 4.42Å; F465-T699 HydrophobicContact CZ-CG2 3.87Å; K468-T699 PolarHBondContact NZ-OG1 3.14Å; E695-T699 WeakPolarHBondContact O-CB 3.39Å; E695-T699 PolarHBondContact O-N 3.02Å; E695-T699 PolarHBondContact O-OG1 3.48Å; Q696-T699 WeakPolarHBondContact O-CB 3.31Å; Q696-T699 PolarHBondContact O-N 2.58Å; Q696-T699 VanDerWaalsContact O-N 3.13Å; E697-T699 VanDerWaalsContact C-N 3.28Å; E697-T699 PolarHBondContact O-N 2.84Å; T699-N702 PolarHBondContact O-N 3.32Å; T699-I703 HydrophobicContact CG2-CD1 4.19Å; T699-I703 WeakPolarHBondContact O-CD1 3.47Å; T699-I703 VanDerWaalsContact O-CG1 3.3Å; T699-I703 WeakPolarHBondContact O-CG1 3.37Å; T699-I703 PolarHBondContact O-N 3.25Å; T699-I703 VanDerWaalsContact O-N 3.08Å
700	H	86	Confident	83.6	Confident	52 Å²	52	73.9 Å²	73.9	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-44.1	176.2	-79.1	-67.3	0	0	0	112.2	E420 F465 Q696 E697 N702 I703 E704	E420-H700 IonicContact OE2-CE1 3.47Å; E420-H700 IonicContact OE2-NE2 3.87Å; E420-H700 PolarHBondContact OE2-NE2 2.92Å; F465-H700 AromaticContact CE2-CE1 3.71Å; F465-H700 AromaticContact CE2-NE2 3.82Å; F465-H700 AromaticContact CZ-CD2 3.9Å; F465-H700 AromaticContact CZ-CE1 3.86Å; F465-H700 AromaticContact CZ-NE2 3.47Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.47Å; Q696-H700 PolarHBondContact O-CD2 3.31Å; Q696-H700 PolarHBondContact O-N 3.1Å; Q696-H700 VanDerWaalsContact O-N 3.1Å; E697-H700 PolarHBondContact O-N 3.18Å; H700-N702 VanDerWaalsContact C-N 3.34Å; H700-N702 PolarHBondContact O-N 3.28Å; H700-I703 PolarHBondContact O-N 3.15Å; H700-E704 PolarHBondContact O-N 3.18Å
701	K	86.8	Confident	84.9	Confident	134 Å²	134	70 Å²	70	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-59	-45.7	176.1	-172.4	-179.7	176	-174.5	0	112	E697 T698 I703 E704 E705	E697-K701 PolarHBondContact O-N 3.05Å; T698-K701 PolarHBondContact O-N 2.88Å; K701-I703 VanDerWaalsContact C-N 3.3Å; K701-I703 PolarHBondContact O-N 3.45Å; K701-E704 PolarHBondContact O-N 3.25Å; K701-E705 WeakPolarHBondContact CE-OE1 3.41Å; K701-E705 PolarHBondContact O-N 2.89Å
702	N	87.6	Confident	86.1	Confident	48 Å²	48	67.2 Å²	67.2	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-36.4	178.7	-68	-13	0	0	0	112.2	T698 T699 H700 E705 D706	T698-N702 WeakPolarHBondContact O-CB 3.44Å; T698-N702 PolarHBondContact O-N 3.13Å; T698-N702 PolarHBondContact O-ND2 2.99Å; T698-N702 PolarHBondContact O-OD1 3.41Å; T699-N702 PolarHBondContact O-N 3.32Å; H700-N702 VanDerWaalsContact C-N 3.34Å; H700-N702 PolarHBondContact O-N 3.28Å; N702-E705 PolarHBondContact O-N 3.45Å; N702-D706 WeakPolarHBondContact O-CB 3.37Å; N702-D706 PolarHBondContact O-N 3.12Å
703	I	89.6	Confident	87.1	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-46.7	176.2	-67.9	159	0	0	0	110.3	V461 K464 F465 T699 H700 K701 E705 D706 R707	V461-I703 HydrophobicContact CB-CD1 4.38Å; V461-I703 HydrophobicContact CG1-CD1 4.3Å; V461-I703 HydrophobicContact CG2-CD1 4.25Å; V461-I703 HydrophobicContact CG2-CG2 4.16Å; K464-I703 HydrophobicContact CB-CD1 3.89Å; K464-I703 HydrophobicContact CB-CG1 3.79Å; K464-I703 HydrophobicContact CD-CG1 4.41Å; K464-I703 HydrophobicContact CG-CD1 4.17Å; K464-I703 HydrophobicContact CG-CG1 3.79Å; F465-I703 HydrophobicContact CE2-CD1 4.21Å; T699-I703 HydrophobicContact CG2-CD1 4.19Å; T699-I703 WeakPolarHBondContact O-CD1 3.47Å; T699-I703 VanDerWaalsContact O-CG1 3.3Å; T699-I703 WeakPolarHBondContact O-CG1 3.37Å; T699-I703 PolarHBondContact O-N 3.25Å; T699-I703 VanDerWaalsContact O-N 3.08Å; H700-I703 PolarHBondContact O-N 3.15Å; K701-I703 VanDerWaalsContact C-N 3.3Å; K701-I703 PolarHBondContact O-N 3.45Å; I703-E705 VanDerWaalsContact C-N 3.32Å; I703-E705 PolarHBondContact O-N 3.31Å; I703-D706 PolarHBondContact O-N 3Å; I703-R707 HydrophobicContact CG2-CG 4.4Å; I703-R707 WeakPolarHBondContact O-CB 3.32Å; I703-R707 VanDerWaalsContact O-CG 3.27Å; I703-R707 WeakPolarHBondContact O-CG 3.5Å; I703-R707 PolarHBondContact O-N 2.97Å
704	E	88	Confident	88.1	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-33.8	179.9	-70.4	-61.9	132.7	0	0	112.8	H700 K701 R707 K708	H700-E704 PolarHBondContact O-N 3.18Å; K701-E704 PolarHBondContact O-N 3.25Å; E704-R707 IonicContact OE1-CZ 2.69Å; E704-R707 IonicContact OE1-NE 2.58Å; E704-R707 IonicContact OE1-NH1 2.77Å; E704-R707 PolarHBondContact OE1-NH1 3.12Å; E704-K708 WeakPolarHBondContact O-CG 3.22Å; E704-K708 PolarHBondContact O-N 3.05Å
705	E	89.4	Confident	89.1	Confident	89 Å²	89	52.3 Å²	52.3	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-46.6	172	-70.8	177.4	-176.5	0	0	111.9	K701 N702 I703 R707 K708 L709	K701-E705 WeakPolarHBondContact CE-OE1 3.41Å; K701-E705 PolarHBondContact O-N 2.89Å; N702-E705 PolarHBondContact O-N 3.45Å; I703-E705 VanDerWaalsContact C-N 3.32Å; I703-E705 PolarHBondContact O-N 3.31Å; E705-R707 VanDerWaalsContact C-N 3.29Å; E705-R707 PolarHBondContact O-N 3.19Å; E705-K708 PolarHBondContact O-N 3.38Å; E705-L709 PolarHBondContact O-N 3.23Å
706	D	90.4	Very high	89.9	Confident	64 Å²	64	51.3 Å²	51.3	34%	0.342	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-41.2	176.4	-75.5	-20.7	0	0	0	111	K464 N702 I703 K708 L709 L710	K464-D706 IonicContact NZ-OD2 3.64Å; K464-D706 PolarHBondContact NZ-OD2 3.42Å; N702-D706 WeakPolarHBondContact O-CB 3.37Å; N702-D706 PolarHBondContact O-N 3.12Å; I703-D706 PolarHBondContact O-N 3Å; D706-K708 PolarHBondContact O-N 2.74Å; D706-L709 PolarHBondContact O-N 3.37Å; D706-L710 WeakPolarHBondContact O-CB 3.5Å; D706-L710 WeakPolarHBondContact O-CG 3.46Å; D706-L710 PolarHBondContact O-N 2.57Å
707	R	92.7	Very high	90.7	Very high	13 Å²	13	56.3 Å²	56.3	5%	0.049	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-45.1	176	-76.9	172.5	174.5	-168	-13.7	112.2	D458 D460 I703 E704 E705 L709 L710 I711 F742	D458-R707 IonicContact OD1-CZ 2.93Å; D458-R707 IonicContact OD1-NH2 2.79Å; D458-R707 PolarHBondContact OD1-NH2 3.34Å; D458-R707 IonicContact OD2-NH2 3.4Å; D460-R707 IonicContact OD1-CZ 2.86Å; D460-R707 IonicContact OD1-NE 2.72Å; D460-R707 IonicContact OD1-NH2 2.99Å; D460-R707 PolarHBondContact OD1-NH2 3.37Å; D460-R707 WeakPolarHBondContact OD2-CG 3.26Å; D460-R707 IonicContact OD2-CZ 2.78Å; D460-R707 IonicContact OD2-NE 3.25Å; D460-R707 PolarHBondContact OD2-NE 3.15Å; D460-R707 IonicContact OD2-NH2 3.05Å; D460-R707 PolarHBondContact OD2-NH2 2.94Å; I703-R707 HydrophobicContact CG2-CG 4.4Å; I703-R707 WeakPolarHBondContact O-CB 3.32Å; I703-R707 VanDerWaalsContact O-CG 3.27Å; I703-R707 WeakPolarHBondContact O-CG 3.5Å; I703-R707 PolarHBondContact O-N 2.97Å; E704-R707 IonicContact OE1-CZ 2.69Å; E704-R707 IonicContact OE1-NE 2.58Å; E704-R707 IonicContact OE1-NH1 2.77Å; E704-R707 PolarHBondContact OE1-NH1 3.12Å; E705-R707 VanDerWaalsContact C-N 3.29Å; E705-R707 PolarHBondContact O-N 3.19Å; R707-L709 VanDerWaalsContact C-N 3.33Å; R707-L709 PolarHBondContact O-N 3.11Å; R707-L710 PolarHBondContact O-N 3.07Å; R707-I711 WeakPolarHBondContact O-CB 3.5Å; R707-I711 WeakPolarHBondContact O-CD1 3.45Å; R707-I711 WeakPolarHBondContact O-CG1 3.33Å; R707-I711 PolarHBondContact O-N 3.36Å; R707-F742 HydrophobicContact CB-CE2 4.16Å; R707-F742 HydrophobicContact CB-CZ 4.01Å; R707-F742 HydrophobicContact CG-CD1 4.24Å; R707-F742 HydrophobicContact CG-CD2 4.11Å; R707-F742 HydrophobicContact CG-CE1 4.03Å; R707-F742 HydrophobicContact CG-CE2 3.87Å; R707-F742 HydrophobicContact CG-CG 4.29Å; R707-F742 HydrophobicContact CG-CZ 3.83Å
708	K	93.2	Very high	91.5	Very high	102 Å²	102	51.1 Å²	51.1	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-43.9	177.8	-70.8	172.2	-173.1	173.2	0	111.5	E704 E705 D706 I711 Q712 V748	E704-K708 WeakPolarHBondContact O-CG 3.22Å; E704-K708 PolarHBondContact O-N 3.05Å; E705-K708 PolarHBondContact O-N 3.38Å; D706-K708 PolarHBondContact O-N 2.74Å; K708-I711 PolarHBondContact O-N 2.93Å; K708-Q712 WeakPolarHBondContact O-CG 3.44Å; K708-Q712 PolarHBondContact O-N 2.97Å; K708-V748 HydrophobicContact CG-CG1 4.23Å
709	L	93.2	Very high	92	Very high	108 Å²	108	49.1 Å²	49.1	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-65.8	-42.9	178.6	-66.7	173.7	0	0	0	111.7	E705 D706 R707 Q712 A713	E705-L709 PolarHBondContact O-N 3.23Å; D706-L709 PolarHBondContact O-N 3.37Å; R707-L709 VanDerWaalsContact C-N 3.33Å; R707-L709 PolarHBondContact O-N 3.11Å; L709-Q712 PolarHBondContact O-N 3.22Å; L709-A713 WeakPolarHBondContact O-CB 3.48Å; L709-A713 PolarHBondContact O-N 3.37Å
710	L	91.9	Very high	92.5	Very high	63 Å²	63	54.3 Å²	54.3	33%	0.33	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-40.9	176.6	-73.6	173	0	0	0	112.3	D706 R707 A713 A714 F742	D706-L710 WeakPolarHBondContact O-CB 3.5Å; D706-L710 WeakPolarHBondContact O-CG 3.46Å; D706-L710 PolarHBondContact O-N 2.57Å; R707-L710 PolarHBondContact O-N 3.07Å; L710-A713 PolarHBondContact O-N 2.91Å; L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 3.02Å; L710-F742 HydrophobicContact CB-CE1 4.46Å; L710-F742 HydrophobicContact CD1-CE1 4.19Å
711	I	95.6	Very high	93	Very high	2 Å²	2	59 Å²	59	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-47.3	175.1	-68.2	163.8	0	0	0	110.3	R707 K708 A713 A714 I715 L738 F742 P744 V748 I749 C752	R707-I711 WeakPolarHBondContact O-CB 3.5Å; R707-I711 WeakPolarHBondContact O-CD1 3.45Å; R707-I711 WeakPolarHBondContact O-CG1 3.33Å; R707-I711 PolarHBondContact O-N 3.36Å; K708-I711 PolarHBondContact O-N 2.93Å; I711-A713 PolarHBondContact O-N 3.27Å; I711-A714 PolarHBondContact O-N 3.21Å; I711-I715 HydrophobicContact CG2-CD1 3.69Å; I711-I715 HydrophobicContact CG2-CG1 4.34Å; I711-I715 VanDerWaalsContact O-CG1 3.26Å; I711-I715 WeakPolarHBondContact O-CG1 3.45Å; I711-I715 PolarHBondContact O-N 3.45Å; I711-L738 HydrophobicContact CB-CD1 4.37Å; I711-L738 HydrophobicContact CG1-CD1 3.65Å; I711-F742 HydrophobicContact CD1-CE2 4.14Å; I711-F742 HydrophobicContact CD1-CZ 4.25Å; I711-F742 HydrophobicContact CG1-CE2 4.28Å; I711-F742 HydrophobicContact CG1-CZ 3.96Å; I711-P744 HydrophobicContact CD1-CB 4.18Å; I711-P744 HydrophobicContact CG1-CB 4.45Å; I711-V748 HydrophobicContact CD1-CB 4.4Å; I711-V748 HydrophobicContact CD1-CG1 3.71Å; I711-I749 HydrophobicContact CG2-CB 4.49Å; I711-I749 HydrophobicContact CG2-CG1 4.19Å; I711-I749 HydrophobicContact CG2-CG2 4.49Å; I711-C752 HydrophobicContact CG2-CB 3.7Å
712	Q	95.3	Very high	93.3	Very high	23 Å²	23	58.6 Å²	58.6	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-47.7	176.6	-75.1	174.3	47.9	0	0	111.4	K708 L709 A714 I715 V716 C752 L756	K708-Q712 WeakPolarHBondContact O-CG 3.44Å; K708-Q712 PolarHBondContact O-N 2.97Å; L709-Q712 PolarHBondContact O-N 3.22Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.17Å; Q712-I715 PolarHBondContact O-N 3.38Å; Q712-V716 WeakPolarHBondContact O-CG2 3.24Å; Q712-V716 PolarHBondContact O-N 2.94Å; Q712-C752 HydrophobicContact CG-CB 3.85Å; Q712-L756 HydrophobicContact CB-CD1 4.4Å; Q712-L756 HydrophobicContact CB-CD2 4.31Å; Q712-L756 HydrophobicContact CB-CG 4.49Å; Q712-L756 HydrophobicContact CG-CD1 4.46Å; Q712-L756 HydrophobicContact CG-CD2 4.43Å; Q712-L756 HydrophobicContact CG-CG 4.28Å
713	A	94.4	Very high	93.7	Very high	48 Å²	48	61.7 Å²	61.7	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-38.1	178.7	0	0	0	0	0	113	L709 L710 I711 R717	L709-A713 WeakPolarHBondContact O-CB 3.48Å; L709-A713 PolarHBondContact O-N 3.37Å; L710-A713 PolarHBondContact O-N 2.91Å; I711-A713 PolarHBondContact O-N 3.27Å; A713-R717 WeakPolarHBondContact O-CB 3.42Å; A713-R717 PolarHBondContact O-N 3.17Å
714	A	94.6	Very high	93.9	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-48.6	175.2	0	0	0	0	0	111.5	L710 I711 Q712 V716 R717 I718 Q737 L738	L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 3.02Å; I711-A714 PolarHBondContact O-N 3.21Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.17Å; A714-V716 PolarHBondContact O-N 3.27Å; A714-R717 PolarHBondContact O-N 3.05Å; A714-I718 WeakPolarHBondContact O-CG1 3.31Å; A714-I718 PolarHBondContact O-N 2.96Å; A714-Q737 VanDerWaalsContact CB-OE1 3.28Å; A714-L738 HydrophobicContact CB-CD1 4.19Å; A714-L738 HydrophobicContact CB-CD2 4.15Å; A714-L738 HydrophobicContact CB-CG 4.22Å
715	I	96.1	Very high	94.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-50.8	177.3	-66.6	161.8	0	0	0	110.4	I711 Q712 R717 I718 M719 L730 V734 I749 C752 I753 L756 L762	I711-I715 HydrophobicContact CG2-CD1 3.69Å; I711-I715 HydrophobicContact CG2-CG1 4.34Å; I711-I715 VanDerWaalsContact O-CG1 3.26Å; I711-I715 WeakPolarHBondContact O-CG1 3.45Å; I711-I715 PolarHBondContact O-N 3.45Å; Q712-I715 PolarHBondContact O-N 3.38Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.07Å; I715-I718 PolarHBondContact O-N 2.91Å; I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.23Å; I715-M719 WeakPolarHBondContact O-CG 3.31Å; I715-M719 PolarHBondContact O-N 3.04Å; I715-L730 HydrophobicContact CG2-CD1 4.37Å; I715-L730 HydrophobicContact CG2-CD2 4.26Å; I715-V734 HydrophobicContact CG1-CG2 3.71Å; I715-I749 HydrophobicContact CD1-CG2 4.21Å; I715-C752 HydrophobicContact CD1-CB 3.8Å; I715-I753 HydrophobicContact CD1-CG1 3.91Å; I715-L756 HydrophobicContact CB-CD1 3.63Å; I715-L756 HydrophobicContact CD1-CD1 4.02Å; I715-L756 HydrophobicContact CG1-CD1 4.46Å; I715-L756 HydrophobicContact CG2-CD1 3.46Å; I715-L756 VanDerWaalsContact CG2-CD1 3.46Å; I715-L762 HydrophobicContact CG2-CD1 3.71Å
716	V	96.1	Very high	94.6	Very high	28 Å²	28	63.7 Å²	63.7	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-42.6	179.6	170.9	0	0	0	0	111	Q712 A714 K720 L756 Y761 Y774	Q712-V716 WeakPolarHBondContact O-CG2 3.24Å; Q712-V716 PolarHBondContact O-N 2.94Å; A714-V716 PolarHBondContact O-N 3.27Å; V716-K720 WeakPolarHBondContact O-CB 3.45Å; V716-K720 PolarHBondContact O-N 3.01Å; V716-L756 HydrophobicContact CG2-CD1 3.91Å; V716-L756 HydrophobicContact CG2-CD2 3.53Å; V716-L756 HydrophobicContact CG2-CG 4.36Å; V716-Y761 HydrophobicContact CG1-CD1 4.09Å; V716-Y761 HydrophobicContact CG1-CE1 4.42Å; V716-Y761 HydrophobicContact CG2-CD1 3.98Å; V716-Y761 HydrophobicContact CG2-CG 4.16Å; V716-Y774 HydrophobicContact CG1-CE2 4.24Å
717	R	94.8	Very high	94.8	Very high	155 Å²	155	61.8 Å²	61.8	59%	0.585	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-44.8	178.9	-168.8	-172.4	-57.9	154	-1.6	112.4	A713 A714 I715 M721	A713-R717 WeakPolarHBondContact O-CB 3.42Å; A713-R717 PolarHBondContact O-N 3.17Å; A714-R717 PolarHBondContact O-N 3.05Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.07Å; R717-M721 PolarHBondContact O-N 3.5Å
718	I	96.1	Very high	94.8	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.046	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-51.2	177.7	-70.4	161.6	0	0	0	109.9	A714 I715 K720 M721 R722 L725 L730 E733 V734	A714-I718 WeakPolarHBondContact O-CG1 3.31Å; A714-I718 PolarHBondContact O-N 2.96Å; I715-I718 PolarHBondContact O-N 2.91Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 3.03Å; I718-M721 WeakPolarHBondContact O-CB 3.28Å; I718-M721 PolarHBondContact O-N 3.41Å; I718-M721 VanDerWaalsContact O-N 3.08Å; I718-R722 HydrophobicContact CG2-CG 4.3Å; I718-R722 PolarHBondContact O-N 2.92Å; I718-L725 HydrophobicContact CG2-CD2 3.85Å; I718-L730 HydrophobicContact CB-CD1 4.27Å; I718-L730 HydrophobicContact CG2-CD1 3.75Å; I718-E733 HydrophobicContact CD1-CB 3.85Å; I718-E733 HydrophobicContact CG1-CB 4.4Å; I718-E733 HydrophobicContact CG2-CB 4.21Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.3Å; I718-V734 HydrophobicContact CD1-CB 4.35Å; I718-V734 HydrophobicContact CD1-CG2 3.61Å
719	M	96.1	Very high	94.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-37.3	-177.5	-73.2	-60.3	-59.1	0	0	112.1	I715 M721 R722 K723 L725 L730 L762 Y772 Y774	I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.23Å; I715-M719 WeakPolarHBondContact O-CG 3.31Å; I715-M719 PolarHBondContact O-N 3.04Å; M719-M721 PolarHBondContact O-N 3Å; M719-R722 PolarHBondContact O-N 2.98Å; M719-K723 VanDerWaalsContact O-CA 3.32Å; M719-K723 WeakPolarHBondContact O-CA 3.5Å; M719-K723 PolarHBondContact O-N 3.39Å; M719-L725 HydrophobicContact CE-CB 4.5Å; M719-L725 HydrophobicContact SD-CB 3.77Å; M719-L730 HydrophobicContact CG-CD1 4.03Å; M719-L730 HydrophobicContact CG-CD2 4.39Å; M719-L730 HydrophobicContact SD-CD1 4.05Å; M719-L730 HydrophobicContact SD-CD2 4.18Å; M719-L762 HydrophobicContact CB-CD2 3.44Å; M719-L762 VanDerWaalsContact CB-CD2 3.44Å; M719-L762 HydrophobicContact CE-CD2 3.85Å; M719-L762 HydrophobicContact CG-CD1 4.41Å; M719-L762 HydrophobicContact CG-CD2 3.46Å; M719-L762 VanDerWaalsContact CG-CD2 3.46Å; M719-L762 HydrophobicContact SD-CD2 4.42Å; M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.08Å; M719-Y774 HydrophobicContact CB-CD2 3.87Å; M719-Y774 HydrophobicContact CB-CG 4.29Å; M719-Y774 WeakPolarHBondContact O-CB 3.21Å
720	K	95.5	Very high	95	Very high	121 Å²	121	63.2 Å²	63.2	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-36	173	-176.5	170.2	-175.5	169.4	0	113	V716 I718 K723 Y774	V716-K720 WeakPolarHBondContact O-CB 3.45Å; V716-K720 PolarHBondContact O-N 3.01Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 3.03Å; K720-K723 WeakPolarHBondContact O-CD 3.34Å; K720-K723 VanDerWaalsContact O-CE 3.25Å; K720-K723 WeakPolarHBondContact O-CE 2.88Å; K720-K723 PolarHBondContact O-NZ 2.87Å; K720-Y774 HydrophobicContact CB-CD1 4.31Å; K720-Y774 HydrophobicContact CB-CD2 4.43Å; K720-Y774 HydrophobicContact CB-CE1 3.77Å; K720-Y774 HydrophobicContact CB-CE2 3.96Å; K720-Y774 HydrophobicContact CD-CE1 4.45Å; K720-Y774 HydrophobicContact CG-CE1 3.72Å
721	M	95	Very high	95.2	Very high	150 Å²	150	60.9 Å²	60.9	74%	0.739	29%	0.286	S	S	*	.	H	α-helix	trans	-80.3	-44.6	-180	-175	177.7	180	0	0	112.5	R717 I718 M719	R717-M721 PolarHBondContact O-N 3.5Å; I718-M721 WeakPolarHBondContact O-CB 3.28Å; I718-M721 PolarHBondContact O-N 3.41Å; I718-M721 VanDerWaalsContact O-N 3.08Å; M719-M721 PolarHBondContact O-N 3Å
722	R	94.9	Very high	95.1	Very high	126 Å²	126	62.3 Å²	62.3	48%	0.475	30%	0.301	S	S	.	.	H	α-helix	trans	-83.8	-22.9	-175.6	-62.3	-61	-167.3	-172.5	3.1	114	I718 M719 V724 L725 E733	I718-R722 HydrophobicContact CG2-CG 4.3Å; I718-R722 PolarHBondContact O-N 2.92Å; M719-R722 PolarHBondContact O-N 2.98Å; R722-V724 PolarHBondContact O-N 2.93Å; R722-L725 HydrophobicContact CB-CB 4.41Å; R722-L725 HydrophobicContact CB-CD1 4.22Å; R722-L725 HydrophobicContact CG-CD1 4.15Å; R722-L725 HydrophobicContact CG-CD2 4.27Å; R722-E733 IonicContact CZ-OE1 2.74Å; R722-E733 IonicContact NE-OE1 3.54Å; R722-E733 PolarHBondContact NE-OE1 2.88Å; R722-E733 IonicContact NE-OE2 2.87Å; R722-E733 IonicContact NH2-OE1 3.08Å; R722-E733 PolarHBondContact NH2-OE1 2.86Å; R722-E733 IonicContact NH2-OE2 3.69Å
723	K	93.9	Very high	95.1	Very high	113 Å²	113	63.8 Å²	63.8	49%	0.491	31%	0.308	S	S	.	.	S	Bend	trans	64.5	-49.9	-174.2	-55.1	-57.8	-172.8	-172.6	0	114.7	M719 K720 S773 Y774	M719-K723 VanDerWaalsContact O-CA 3.32Å; M719-K723 WeakPolarHBondContact O-CA 3.5Å; M719-K723 PolarHBondContact O-N 3.39Å; K720-K723 WeakPolarHBondContact O-CD 3.34Å; K720-K723 VanDerWaalsContact O-CE 3.25Å; K720-K723 WeakPolarHBondContact O-CE 2.88Å; K720-K723 PolarHBondContact O-NZ 2.87Å; K723-S773 CarbonylContact O-C 3.6Å; K723-S773 WeakPolarHBondContact O-CA 3.46Å; K723-Y774 HydrophobicContact CD-CD1 4.32Å; K723-Y774 PolarHBondContact O-N 2.93Å
724	V	95	Very high	95.2	Very high	80 Å²	80	61.5 Å²	61.5	49%	0.485	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.9	176.4	-177	0	0	0	0	108.6	R722 V765 T771 Y772	R722-V724 PolarHBondContact O-N 2.93Å; V724-V765 HydrophobicContact CG1-CG2 4.31Å; V724-T771 HydrophobicContact CG1-CG2 3.47Å; V724-T771 VanDerWaalsContact CG1-CG2 3.47Å; V724-Y772 VanDerWaalsContact CA-O 3.29Å; V724-Y772 WeakPolarHBondContact CA-O 3.49Å
725	L	95.3	Very high	95.1	Very high	14 Å²	14	64.3 Å²	64.3	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.3	-178.2	-158	66.5	0	0	0	111.5	I718 M719 R722 Q729 L730 Y772	I718-L725 HydrophobicContact CG2-CD2 3.85Å; M719-L725 HydrophobicContact CE-CB 4.5Å; M719-L725 HydrophobicContact SD-CB 3.77Å; R722-L725 HydrophobicContact CB-CB 4.41Å; R722-L725 HydrophobicContact CB-CD1 4.22Å; R722-L725 HydrophobicContact CG-CD1 4.15Å; R722-L725 HydrophobicContact CG-CD2 4.27Å; L725-Q729 HydrophobicContact CD1-CB 3.89Å; L725-Q729 HydrophobicContact CD2-CB 4.34Å; L725-Q729 HydrophobicContact CG-CB 3.86Å; L725-L730 HydrophobicContact CD2-CB 3.81Å; L725-L730 HydrophobicContact CD2-CD1 4.05Å; L725-L730 HydrophobicContact CG-CB 4.39Å; L725-Y772 PolarHBondContact N-O 3.14Å; L725-Y772 PolarHBondContact O-N 2.61Å
726	K	95.6	Very high	94.9	Very high	115 Å²	115	69.2 Å²	69.2	50%	0.5	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	151.6	173.8	-67.5	-171.3	175.3	-173.5	0	111.2	Q728 Q729 L730 D770	K726-Q728 PolarHBondContact O-N 3.01Å; K726-Q729 HydrophobicContact CB-CG 4.48Å; K726-Q729 WeakPolarHBondContact O-CB 3.35Å; K726-Q729 PolarHBondContact O-N 3.03Å; K726-L730 PolarHBondContact O-N 3.19Å; K726-D770 CarbonylContact C-O 3.56Å; K726-D770 VanDerWaalsContact CA-O 3.31Å; K726-D770 WeakPolarHBondContact CA-O 3.42Å
727	H	94.8	Very high	94.6	Very high	23 Å²	23	71.3 Å²	71.3	11%	0.106	34%	0.341	C	S	.	.	H	α-helix	trans	-53.9	-48.2	-176.6	-174.7	85.3	0	0	0	112.6	Q729 L730 L731 D770 Y772	H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 2.82Å; H727-L730 PolarHBondContact O-N 3.49Å; H727-L731 WeakPolarHBondContact NE2-CD1 3.2Å; H727-L731 WeakPolarHBondContact O-CG 3.4Å; H727-L731 PolarHBondContact O-N 2.96Å; H727-D770 HydrophobicContact CB-CB 4.47Å; H727-D770 PolarHBondContact N-O 2.98Å; H727-Y772 HydrophobicContact CB-CE2 3.83Å; H727-Y772 AromaticContact ND1-CE2 3.38Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.32Å; H727-Y772 AromaticContact ND1-CZ 3.56Å; H727-Y772 PolarHBondContact ND1-OH 2.82Å
728	Q	94.6	Very high	94.4	Very high	147 Å²	147	64.5 Å²	64.5	69%	0.687	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-37.5	179.8	-68.2	-62.6	-19	0	0	112.7	K726 G732	K726-Q728 PolarHBondContact O-N 3.01Å; Q728-G732 PolarHBondContact O-N 3.24Å
729	Q	95	Very high	93.9	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.5	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-42.5	176.7	-67.9	174.5	-37.9	0	0	111	L725 K726 H727 G732 E733	L725-Q729 HydrophobicContact CD1-CB 3.89Å; L725-Q729 HydrophobicContact CD2-CB 4.34Å; L725-Q729 HydrophobicContact CG-CB 3.86Å; K726-Q729 HydrophobicContact CB-CG 4.48Å; K726-Q729 WeakPolarHBondContact O-CB 3.35Å; K726-Q729 PolarHBondContact O-N 3.03Å; H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 2.82Å; Q729-G732 PolarHBondContact O-N 3.1Å; Q729-E733 PolarHBondContact O-N 2.92Å
730	L	95.2	Very high	93.4	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.8	-46.4	175.2	-179.2	59.1	0	0	0	111.5	I715 I718 M719 L725 K726 H727 G732 E733 V734 I753 Y772	I715-L730 HydrophobicContact CG2-CD1 4.37Å; I715-L730 HydrophobicContact CG2-CD2 4.26Å; I718-L730 HydrophobicContact CB-CD1 4.27Å; I718-L730 HydrophobicContact CG2-CD1 3.75Å; M719-L730 HydrophobicContact CG-CD1 4.03Å; M719-L730 HydrophobicContact CG-CD2 4.39Å; M719-L730 HydrophobicContact SD-CD1 4.05Å; M719-L730 HydrophobicContact SD-CD2 4.18Å; L725-L730 HydrophobicContact CD2-CB 3.81Å; L725-L730 HydrophobicContact CD2-CD1 4.05Å; L725-L730 HydrophobicContact CG-CB 4.39Å; K726-L730 PolarHBondContact O-N 3.19Å; H727-L730 PolarHBondContact O-N 3.49Å; L730-G732 VanDerWaalsContact C-N 3.33Å; L730-G732 PolarHBondContact O-N 3.26Å; L730-E733 PolarHBondContact O-N 2.85Å; L730-V734 HydrophobicContact CD1-CG2 4Å; L730-V734 HydrophobicContact CG-CG2 4.36Å; L730-V734 WeakPolarHBondContact O-CB 3.23Å; L730-V734 VanDerWaalsContact O-CG2 3.22Å; L730-V734 WeakPolarHBondContact O-CG2 3.31Å; L730-V734 PolarHBondContact O-N 3.45Å; L730-I753 HydrophobicContact CD2-CD1 3.93Å; L730-I753 HydrophobicContact CD2-CG1 4.3Å; L730-Y772 HydrophobicContact CD2-CD2 3.86Å; L730-Y772 HydrophobicContact CD2-CE2 4.2Å
731	L	94.7	Very high	92.9	Very high	13 Å²	13	67.5 Å²	67.5	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-46.7	175.4	-72	-175.7	0	0	0	111.4	H727 V734 L735 V746 I749	H727-L731 WeakPolarHBondContact NE2-CD1 3.2Å; H727-L731 WeakPolarHBondContact O-CG 3.4Å; H727-L731 PolarHBondContact O-N 2.96Å; L731-V734 PolarHBondContact O-N 3.22Å; L731-L735 WeakPolarHBondContact O-CB 3.35Å; L731-L735 VanDerWaalsContact O-CG 3.25Å; L731-L735 WeakPolarHBondContact O-CG 3.28Å; L731-L735 PolarHBondContact O-N 3.45Å; L731-V746 HydrophobicContact CD1-CG1 4.22Å; L731-I749 HydrophobicContact CD2-CB 4Å; L731-I749 HydrophobicContact CD2-CD1 4.07Å; L731-I749 HydrophobicContact CD2-CG2 3.53Å
732	G	94.3	Very high	92.7	Very high	33 Å²	33	60.5 Å²	60.5	34%	0.34	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-45.8	178	0	0	0	0	0	113	Q728 Q729 L730 T736	Q728-G732 PolarHBondContact O-N 3.24Å; Q729-G732 PolarHBondContact O-N 3.1Å; L730-G732 VanDerWaalsContact C-N 3.33Å; L730-G732 PolarHBondContact O-N 3.26Å; G732-T736 WeakPolarHBondContact O-CB 3.4Å; G732-T736 PolarHBondContact O-N 2.87Å; G732-T736 PolarHBondContact O-OG1 3.16Å
733	E	95.3	Very high	92.3	Very high	53 Å²	53	60.1 Å²	60.1	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-41	178.4	-71.3	-160.6	-162.7	0	0	112.1	I718 R722 Q729 L730 T736 Q737	I718-E733 HydrophobicContact CD1-CB 3.85Å; I718-E733 HydrophobicContact CG1-CB 4.4Å; I718-E733 HydrophobicContact CG2-CB 4.21Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.3Å; R722-E733 IonicContact CZ-OE1 2.74Å; R722-E733 IonicContact NE-OE1 3.54Å; R722-E733 PolarHBondContact NE-OE1 2.88Å; R722-E733 IonicContact NE-OE2 2.87Å; R722-E733 IonicContact NH2-OE1 3.08Å; R722-E733 PolarHBondContact NH2-OE1 2.86Å; R722-E733 IonicContact NH2-OE2 3.69Å; Q729-E733 PolarHBondContact O-N 2.92Å; L730-E733 PolarHBondContact O-N 2.85Å; E733-T736 PolarHBondContact O-N 2.98Å; E733-Q737 WeakPolarHBondContact O-CB 3.47Å; E733-Q737 PolarHBondContact O-N 3.38Å
734	V	95.4	Very high	92	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-45.8	177.3	171.4	0	0	0	0	111.2	I715 I718 L730 L731 T736 Q737 L738 I749	I715-V734 HydrophobicContact CG1-CG2 3.71Å; I718-V734 HydrophobicContact CD1-CB 4.35Å; I718-V734 HydrophobicContact CD1-CG2 3.61Å; L730-V734 HydrophobicContact CD1-CG2 4Å; L730-V734 HydrophobicContact CG-CG2 4.36Å; L730-V734 WeakPolarHBondContact O-CB 3.23Å; L730-V734 VanDerWaalsContact O-CG2 3.22Å; L730-V734 WeakPolarHBondContact O-CG2 3.31Å; L730-V734 PolarHBondContact O-N 3.45Å; L731-V734 PolarHBondContact O-N 3.22Å; V734-T736 VanDerWaalsContact C-N 3.31Å; V734-T736 PolarHBondContact O-N 3.31Å; V734-Q737 PolarHBondContact O-N 3.01Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.39Å; V734-L738 WeakPolarHBondContact O-CG 3.36Å; V734-L738 PolarHBondContact O-N 3.17Å; V734-L738 VanDerWaalsContact O-N 3.11Å; V734-I749 HydrophobicContact CG1-CD1 3.99Å; V734-I749 HydrophobicContact CG1-CG1 4.19Å; V734-I749 HydrophobicContact CG1-CG2 4.4Å
735	L	93.3	Very high	91.7	Very high	63 Å²	63	58.6 Å²	58.6	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-44.3	176.9	-73.1	173.4	0	0	0	110.9	L731 L738 S739 P744 I749	L731-L735 WeakPolarHBondContact O-CB 3.35Å; L731-L735 VanDerWaalsContact O-CG 3.25Å; L731-L735 WeakPolarHBondContact O-CG 3.28Å; L731-L735 PolarHBondContact O-N 3.45Å; L735-L738 PolarHBondContact O-N 3.38Å; L735-S739 VanDerWaalsContact O-CB 3.3Å; L735-S739 WeakPolarHBondContact O-CB 3.47Å; L735-S739 PolarHBondContact O-N 3.36Å; L735-P744 HydrophobicContact CD2-CB 4.18Å; L735-P744 HydrophobicContact CD2-CG 4.13Å; L735-P744 WeakPolarHBondContact CD2-O 3.47Å; L735-I749 HydrophobicContact CD2-CD1 4.06Å; L735-I749 HydrophobicContact CG-CD1 4.33Å
736	T	92.2	Very high	91.6	Very high	104 Å²	104	60.7 Å²	60.7	64%	0.638	31%	0.309	S	S	*	.	H	α-helix	trans	-63.4	-49.1	179.5	-56.5	0	0	0	0	111.2	G732 E733 V734 L738 S739	G732-T736 WeakPolarHBondContact O-CB 3.4Å; G732-T736 PolarHBondContact O-N 2.87Å; G732-T736 PolarHBondContact O-OG1 3.16Å; E733-T736 PolarHBondContact O-N 2.98Å; V734-T736 VanDerWaalsContact C-N 3.31Å; V734-T736 PolarHBondContact O-N 3.31Å; T736-L738 VanDerWaalsContact C-N 3.3Å; T736-L738 PolarHBondContact O-N 2.87Å; T736-S739 PolarHBondContact O-N 2.86Å; T736-S739 PolarHBondContact O-OG 3.44Å
737	Q	90.5	Very high	91.5	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-32.9	-177.6	-172.7	174.5	53.2	0	0	113.1	A714 E733 V734	A714-Q737 VanDerWaalsContact CB-OE1 3.28Å; E733-Q737 WeakPolarHBondContact O-CB 3.47Å; E733-Q737 PolarHBondContact O-N 3.38Å; V734-Q737 PolarHBondContact O-N 3.01Å
738	L	90.1	Very high	91.3	Very high	12 Å²	12	60 Å²	60	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-95.6	-14.7	-176.4	-65	177.3	0	0	0	114.4	I711 A714 V734 L735 T736 S740 R741 F742 P744	I711-L738 HydrophobicContact CB-CD1 4.37Å; I711-L738 HydrophobicContact CG1-CD1 3.65Å; A714-L738 HydrophobicContact CB-CD1 4.19Å; A714-L738 HydrophobicContact CB-CD2 4.15Å; A714-L738 HydrophobicContact CB-CG 4.22Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.39Å; V734-L738 WeakPolarHBondContact O-CG 3.36Å; V734-L738 PolarHBondContact O-N 3.17Å; V734-L738 VanDerWaalsContact O-N 3.11Å; L735-L738 PolarHBondContact O-N 3.38Å; T736-L738 VanDerWaalsContact C-N 3.3Å; T736-L738 PolarHBondContact O-N 2.87Å; L738-S740 PolarHBondContact O-N 3.01Å; L738-R741 PolarHBondContact O-N 3.44Å; L738-F742 CarbonylContact C-O 3.33Å; L738-F742 HydrophobicContact CD1-CZ 4.03Å; L738-F742 HydrophobicContact CD2-CE1 4.46Å; L738-F742 PolarHBondContact O-N 2.87Å; L738-F742 VanDerWaalsContact O-N 3.14Å; L738-P744 HydrophobicContact CB-CG 3.67Å; L738-P744 HydrophobicContact CD1-CG 3.74Å; L738-P744 HydrophobicContact CG-CG 4.35Å
739	S	86	Confident	91.3	Very high	71 Å²	71	53 Å²	53	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.2	-176.4	62.8	0	0	0	0	115.2	L735 T736 R741	L735-S739 VanDerWaalsContact O-CB 3.3Å; L735-S739 WeakPolarHBondContact O-CB 3.47Å; L735-S739 PolarHBondContact O-N 3.36Å; T736-S739 PolarHBondContact O-N 2.86Å; T736-S739 PolarHBondContact O-OG 3.44Å; S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 3.12Å
740	S	84	Confident	91.3	Very high	63 Å²	63	52.7 Å²	52.7	44%	0.441	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.8	176.8	61.3	0	0	0	0	113.7	L738	L738-S740 PolarHBondContact O-N 3.01Å
741	R	85.4	Confident	91.3	Very high	59 Å²	59	59.5 Å²	59.5	22%	0.223	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-46.7	-177.8	-66	-171.7	177.1	-129.8	2	113.1	K459 D460 E499 L738 S739	K459-R741 WeakPolarHBondContact CA-O 3.48Å; K459-R741 WeakPolarHBondContact CB-O 3.29Å; K459-R741 PolarHBondContact N-O 3.48Å; D460-R741 PolarHBondContact N-O 2.64Å; E499-R741 VanDerWaalsContact CB-NH2 3.27Å; L738-R741 PolarHBondContact O-N 3.44Å; S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 3.12Å
742	F	90.3	Very high	91.3	Very high	3 Å²	3	59 Å²	59	1%	0.013	31%	0.308	C	S	.	.			trans	-160.9	169.8	179.2	65	-86.3	0	0	0	109.9	E457 D460 R707 L710 I711 L738 P744	E457-F742 WeakPolarHBondContact O-CA 3.43Å; D460-F742 HydrophobicContact CB-CD1 4.48Å; D460-F742 WeakPolarHBondContact OD1-CB 3.36Å; R707-F742 HydrophobicContact CB-CE2 4.16Å; R707-F742 HydrophobicContact CB-CZ 4.01Å; R707-F742 HydrophobicContact CG-CD1 4.24Å; R707-F742 HydrophobicContact CG-CD2 4.11Å; R707-F742 HydrophobicContact CG-CE1 4.03Å; R707-F742 HydrophobicContact CG-CE2 3.87Å; R707-F742 HydrophobicContact CG-CG 4.29Å; R707-F742 HydrophobicContact CG-CZ 3.83Å; L710-F742 HydrophobicContact CB-CE1 4.46Å; L710-F742 HydrophobicContact CD1-CE1 4.19Å; I711-F742 HydrophobicContact CD1-CE2 4.14Å; I711-F742 HydrophobicContact CD1-CZ 4.25Å; I711-F742 HydrophobicContact CG1-CE2 4.28Å; I711-F742 HydrophobicContact CG1-CZ 3.96Å; L738-F742 CarbonylContact C-O 3.33Å; L738-F742 HydrophobicContact CD1-CZ 4.03Å; L738-F742 HydrophobicContact CD2-CE1 4.46Å; L738-F742 PolarHBondContact O-N 2.87Å; L738-F742 VanDerWaalsContact O-N 3.14Å; F742-P744 HydrophobicContact CD2-CB 4.45Å; F742-P744 HydrophobicContact CD2-CG 4.16Å; F742-P744 HydrophobicContact CE2-CB 3.9Å; F742-P744 HydrophobicContact CE2-CG 3.77Å; F742-P744 HydrophobicContact CZ-CG 4.4Å; F742-P744 VanDerWaalsContact O-CD 3.28Å; F742-P744 WeakPolarHBondContact O-CD 3.45Å
743	K	87.3	Confident	91.4	Very high	118 Å²	118	57.4 Å²	57.4	51%	0.513	29%	0.292	S	S	.	.			trans	-98.5	102.4	176.2	-170.3	174.4	-173.5	173.7	0	110.5	E457 R745	E457-K743 IonicContact OE1-NZ 3.48Å; E457-K743 PolarHBondContact OE1-NZ 3.44Å; E457-K743 WeakPolarHBondContact OE2-CD 3.28Å; E457-K743 IonicContact OE2-NZ 2.73Å; E457-K743 PolarHBondContact OE2-NZ 3.39Å; K743-R745 PolarHBondContact O-N 3.38Å
744	P	87.7	Confident	91.3	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.058	30%	0.299	C	S	.	.			trans	-66.7	134.3	-176.6	-15.1	28.6	0	0	0	111.2	I711 L735 L738 F742 I749	I711-P744 HydrophobicContact CD1-CB 4.18Å; I711-P744 HydrophobicContact CG1-CB 4.45Å; L735-P744 HydrophobicContact CD2-CB 4.18Å; L735-P744 HydrophobicContact CD2-CG 4.13Å; L735-P744 WeakPolarHBondContact CD2-O 3.47Å; L738-P744 HydrophobicContact CB-CG 3.67Å; L738-P744 HydrophobicContact CD1-CG 3.74Å; L738-P744 HydrophobicContact CG-CG 4.35Å; F742-P744 HydrophobicContact CD2-CB 4.45Å; F742-P744 HydrophobicContact CD2-CG 4.16Å; F742-P744 HydrophobicContact CE2-CB 3.9Å; F742-P744 HydrophobicContact CE2-CG 3.77Å; F742-P744 HydrophobicContact CZ-CG 4.4Å; F742-P744 VanDerWaalsContact O-CD 3.28Å; F742-P744 WeakPolarHBondContact O-CD 3.45Å; P744-I749 HydrophobicContact CB-CD1 3.93Å; P744-I749 HydrophobicContact CB-CG1 4.05Å
745	R	89	Confident	91.3	Very high	152 Å²	152	60.9 Å²	60.9	57%	0.574	31%	0.312	S	S	*	.			trans	-78.1	129.2	174	-61.5	-178.4	-176.4	-178.8	1.7	109.7	K743 P747 V748 I749	K743-R745 PolarHBondContact O-N 3.38Å; R745-P747 VanDerWaalsContact C-CD 3.44Å; R745-P747 VanDerWaalsContact C-N 3.32Å; R745-V748 HydrophobicContact CB-CG2 4.05Å; R745-V748 WeakPolarHBondContact O-CA 3.47Å; R745-V748 WeakPolarHBondContact O-CB 3.41Å; R745-V748 PolarHBondContact O-N 3.08Å; R745-I749 PolarHBondContact O-N 3.48Å; R745-I749 VanDerWaalsContact O-N 3.16Å
746	V	92	Very high	91.4	Very high	59 Å²	59	58.1 Å²	58.1	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-51	-42.3	179.7	178.6	0	0	0	0	113.4	L731 V748 I749 K750	L731-V746 HydrophobicContact CD1-CG1 4.22Å; V746-V748 VanDerWaalsContact C-N 3.25Å; V746-V748 PolarHBondContact O-N 3.2Å; V746-I749 PolarHBondContact O-N 3.32Å; V746-K750 HydrophobicContact CG1-CD 4.47Å; V746-K750 WeakPolarHBondContact O-CG 3.38Å; V746-K750 PolarHBondContact O-N 3.07Å
747	P	93.4	Very high	91.5	Very high	89 Å²	89	55.4 Å²	55.4	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-59.8	-32.2	175.3	-25.7	35.7	0	0	0	114.2	R745 K751	R745-P747 VanDerWaalsContact C-CD 3.44Å; R745-P747 VanDerWaalsContact C-N 3.32Å; P747-K751 WeakPolarHBondContact O-CG 3.37Å; P747-K751 PolarHBondContact O-N 2.97Å; P747-K751 VanDerWaalsContact O-N 3.17Å
748	V	92.5	Very high	91.7	Very high	33 Å²	33	59.5 Å²	59.5	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-75	-39	178.2	-177.6	0	0	0	0	110.4	K708 I711 R745 V746 K750 K751 C752	K708-V748 HydrophobicContact CG-CG1 4.23Å; I711-V748 HydrophobicContact CD1-CB 4.4Å; I711-V748 HydrophobicContact CD1-CG1 3.71Å; R745-V748 HydrophobicContact CB-CG2 4.05Å; R745-V748 WeakPolarHBondContact O-CA 3.47Å; R745-V748 WeakPolarHBondContact O-CB 3.41Å; R745-V748 PolarHBondContact O-N 3.08Å; V746-V748 VanDerWaalsContact C-N 3.25Å; V746-V748 PolarHBondContact O-N 3.2Å; V748-K750 VanDerWaalsContact C-N 3.34Å; V748-K750 PolarHBondContact O-N 2.95Å; V748-K751 PolarHBondContact O-N 3.23Å; V748-C752 PolarHBondContact O-N 3.48Å; V748-C752 PolarHBondContact O-SG 3.3Å
749	I	94.5	Very high	91.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-46.3	173.9	-58.8	167.7	0	0	0	110.2	I711 I715 L731 V734 L735 P744 R745 V746 K751 C752 I753	I711-I749 HydrophobicContact CG2-CB 4.49Å; I711-I749 HydrophobicContact CG2-CG1 4.19Å; I711-I749 HydrophobicContact CG2-CG2 4.49Å; I715-I749 HydrophobicContact CD1-CG2 4.21Å; L731-I749 HydrophobicContact CD2-CB 4Å; L731-I749 HydrophobicContact CD2-CD1 4.07Å; L731-I749 HydrophobicContact CD2-CG2 3.53Å; V734-I749 HydrophobicContact CG1-CD1 3.99Å; V734-I749 HydrophobicContact CG1-CG1 4.19Å; V734-I749 HydrophobicContact CG1-CG2 4.4Å; L735-I749 HydrophobicContact CD2-CD1 4.06Å; L735-I749 HydrophobicContact CG-CD1 4.33Å; P744-I749 HydrophobicContact CB-CD1 3.93Å; P744-I749 HydrophobicContact CB-CG1 4.05Å; R745-I749 PolarHBondContact O-N 3.48Å; R745-I749 VanDerWaalsContact O-N 3.16Å; V746-I749 PolarHBondContact O-N 3.32Å; I749-K751 PolarHBondContact O-N 3.32Å; I749-C752 WeakPolarHBondContact O-CA 3.03Å; I749-C752 WeakPolarHBondContact O-CB 3.21Å; I749-C752 PolarHBondContact O-N 2.89Å; I749-I753 HydrophobicContact CG2-CD1 4.11Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 WeakPolarHBondContact O-CG1 3.49Å; I749-I753 PolarHBondContact O-N 3.16Å
750	K	93.8	Very high	92.2	Very high	101 Å²	101	68.3 Å²	68.3	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-56.3	-50.3	177	-71.2	-177.4	177.5	-173.3	0	111.9	V746 V748 C752 I753 D754	V746-K750 HydrophobicContact CG1-CD 4.47Å; V746-K750 WeakPolarHBondContact O-CG 3.38Å; V746-K750 PolarHBondContact O-N 3.07Å; V748-K750 VanDerWaalsContact C-N 3.34Å; V748-K750 PolarHBondContact O-N 2.95Å; K750-C752 VanDerWaalsContact C-N 3.25Å; K750-C752 PolarHBondContact O-N 3.38Å; K750-I753 WeakPolarHBondContact O-CB 3.39Å; K750-I753 PolarHBondContact O-N 3.39Å; K750-D754 PolarHBondContact O-N 2.97Å
751	K	95.1	Very high	92.7	Very high	144 Å²	144	70.1 Å²	70.1	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-57.2	-37.7	174.5	-73.8	-177.8	178.4	-173.7	0	112.8	P747 V748 I749 D754 I755	P747-K751 WeakPolarHBondContact O-CG 3.37Å; P747-K751 PolarHBondContact O-N 2.97Å; P747-K751 VanDerWaalsContact O-N 3.17Å; V748-K751 PolarHBondContact O-N 3.23Å; I749-K751 PolarHBondContact O-N 3.32Å; K751-D754 PolarHBondContact O-N 3.03Å; K751-I755 WeakPolarHBondContact O-CD1 3.35Å; K751-I755 VanDerWaalsContact O-CG1 3.24Å; K751-I755 WeakPolarHBondContact O-CG1 3.45Å; K751-I755 PolarHBondContact O-N 3.43Å; K751-I755 VanDerWaalsContact O-N 3.08Å
752	C	95.8	Very high	93.1	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-35.2	177.3	-66.4	0	0	0	0	112.5	I711 Q712 I715 V748 I749 K750 L756	I711-C752 HydrophobicContact CG2-CB 3.7Å; Q712-C752 HydrophobicContact CG-CB 3.85Å; I715-C752 HydrophobicContact CD1-CB 3.8Å; V748-C752 PolarHBondContact O-N 3.48Å; V748-C752 PolarHBondContact O-SG 3.3Å; I749-C752 WeakPolarHBondContact O-CA 3.03Å; I749-C752 WeakPolarHBondContact O-CB 3.21Å; I749-C752 PolarHBondContact O-N 2.89Å; K750-C752 VanDerWaalsContact C-N 3.25Å; K750-C752 PolarHBondContact O-N 3.38Å; C752-L756 WeakPolarHBondContact O-CB 3.23Å; C752-L756 VanDerWaalsContact O-CG 3.24Å; C752-L756 WeakPolarHBondContact O-CG 3.47Å; C752-L756 PolarHBondContact O-N 2.81Å
753	I	95	Very high	93.2	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-46.6	173.1	-66.3	168	0	0	0	109.8	I715 L730 I749 K750 I755 L756 I757 Y772	I715-I753 HydrophobicContact CD1-CG1 3.91Å; L730-I753 HydrophobicContact CD2-CD1 3.93Å; L730-I753 HydrophobicContact CD2-CG1 4.3Å; I749-I753 HydrophobicContact CG2-CD1 4.11Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 WeakPolarHBondContact O-CG1 3.49Å; I749-I753 PolarHBondContact O-N 3.16Å; K750-I753 WeakPolarHBondContact O-CB 3.39Å; K750-I753 PolarHBondContact O-N 3.39Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.04Å; I753-L756 PolarHBondContact O-N 3.07Å; I753-I757 HydrophobicContact CG2-CD1 3.89Å; I753-I757 HydrophobicContact CG2-CG1 4.41Å; I753-I757 WeakPolarHBondContact O-CG1 3.42Å; I753-I757 PolarHBondContact O-N 3.21Å; I753-Y772 HydrophobicContact CD1-CE2 4.3Å; I753-Y772 HydrophobicContact CG2-CD1 4.36Å; I753-Y772 HydrophobicContact CG2-CE1 3.81Å; I753-Y772 HydrophobicContact CG2-CE2 4.34Å
754	D	94.2	Very high	93.5	Very high	72 Å²	72	71 Å²	71	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-45.7	178.8	-60.7	-35	0	0	0	111	K750 K751 L756 I757 E758	K750-D754 PolarHBondContact O-N 2.97Å; K751-D754 PolarHBondContact O-N 3.03Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.38Å; D754-I757 PolarHBondContact O-N 2.97Å; D754-E758 WeakPolarHBondContact O-CG 3.24Å; D754-E758 PolarHBondContact O-N 3.41Å
755	I	95.2	Very high	93.6	Very high	54 Å²	54	72.8 Å²	72.8	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-37.3	174.5	-68.6	164.3	0	0	0	112.1	K751 I753 K759	K751-I755 WeakPolarHBondContact O-CD1 3.35Å; K751-I755 VanDerWaalsContact O-CG1 3.24Å; K751-I755 WeakPolarHBondContact O-CG1 3.45Å; K751-I755 PolarHBondContact O-N 3.43Å; K751-I755 VanDerWaalsContact O-N 3.08Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.04Å; I755-K759 HydrophobicContact CG2-CD 4.01Å; I755-K759 WeakPolarHBondContact O-CB 3.25Å; I755-K759 VanDerWaalsContact O-CG 3.25Å; I755-K759 WeakPolarHBondContact O-CG 3.39Å; I755-K759 PolarHBondContact O-N 3.03Å
756	L	95.8	Very high	93.4	Very high	4 Å²	4	73.2 Å²	73.2	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-75.9	-27.8	-179.8	-73.8	172.8	0	0	0	112.9	Q712 I715 V716 C752 I753 D754 E760 Y761 L762	Q712-L756 HydrophobicContact CB-CD1 4.4Å; Q712-L756 HydrophobicContact CB-CD2 4.31Å; Q712-L756 HydrophobicContact CB-CG 4.49Å; Q712-L756 HydrophobicContact CG-CD1 4.46Å; Q712-L756 HydrophobicContact CG-CD2 4.43Å; Q712-L756 HydrophobicContact CG-CG 4.28Å; I715-L756 HydrophobicContact CB-CD1 3.63Å; I715-L756 HydrophobicContact CD1-CD1 4.02Å; I715-L756 HydrophobicContact CG1-CD1 4.46Å; I715-L756 HydrophobicContact CG2-CD1 3.46Å; I715-L756 VanDerWaalsContact CG2-CD1 3.46Å; V716-L756 HydrophobicContact CG2-CD1 3.91Å; V716-L756 HydrophobicContact CG2-CD2 3.53Å; V716-L756 HydrophobicContact CG2-CG 4.36Å; C752-L756 WeakPolarHBondContact O-CB 3.23Å; C752-L756 VanDerWaalsContact O-CG 3.24Å; C752-L756 WeakPolarHBondContact O-CG 3.47Å; C752-L756 PolarHBondContact O-N 2.81Å; I753-L756 PolarHBondContact O-N 3.07Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.38Å; L756-E760 PolarHBondContact O-N 2.76Å; L756-Y761 HydrophobicContact CD2-CD2 3.98Å; L756-Y761 HydrophobicContact CD2-CG 4.15Å; L756-Y761 PolarHBondContact O-N 3.44Å; L756-L762 HydrophobicContact CB-CD1 3.77Å; L756-L762 HydrophobicContact CB-CG 4.16Å; L756-L762 HydrophobicContact CD1-CD1 4.1Å; L756-L762 PolarHBondContact O-N 3.24Å
757	I	94.4	Very high	93	Very high	47 Å²	47	74.7 Å²	74.7	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-47	170.2	-66.3	167.4	0	0	0	109.8	I753 D754 K759 E760 L762 R764 Y772	I753-I757 HydrophobicContact CG2-CD1 3.89Å; I753-I757 HydrophobicContact CG2-CG1 4.41Å; I753-I757 WeakPolarHBondContact O-CG1 3.42Å; I753-I757 PolarHBondContact O-N 3.21Å; D754-I757 PolarHBondContact O-N 2.97Å; I757-K759 PolarHBondContact O-N 3.39Å; I757-E760 PolarHBondContact O-N 2.97Å; I757-L762 WeakPolarHBondContact CA-O 3.45Å; I757-L762 HydrophobicContact CG1-CB 4Å; I757-R764 HydrophobicContact CD1-CG 4.2Å; I757-Y772 HydrophobicContact CD1-CD1 4.31Å; I757-Y772 HydrophobicContact CD1-CE1 4.07Å
758	E	94.5	Very high	92.7	Very high	158 Å²	158	74.9 Å²	74.9	74%	0.738	38%	0.375	S	S	*	.	H	α-helix	trans	-59.1	-31.7	175.8	-72.7	175.5	-179.1	0	0	112.9	D754 E760	D754-E758 WeakPolarHBondContact O-CG 3.24Å; D754-E758 PolarHBondContact O-N 3.41Å; E758-E760 VanDerWaalsContact C-N 3.3Å
759	K	94.5	Very high	92.2	Very high	114 Å²	114	81.4 Å²	81.4	50%	0.496	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	9.3	176.6	-70.7	177.5	179.8	179.8	0	114	I755 I757 Y761	I755-K759 HydrophobicContact CG2-CD 4.01Å; I755-K759 WeakPolarHBondContact O-CB 3.25Å; I755-K759 VanDerWaalsContact O-CG 3.25Å; I755-K759 WeakPolarHBondContact O-CG 3.39Å; I755-K759 PolarHBondContact O-N 3.03Å; I757-K759 PolarHBondContact O-N 3.39Å; K759-Y761 HydrophobicContact CB-CD2 3.68Å; K759-Y761 HydrophobicContact CB-CE2 3.99Å; K759-Y761 HydrophobicContact CD-CE2 4.5Å; K759-Y761 WeakPolarHBondContact O-CD2 3.29Å; K759-Y761 PolarHBondContact O-N 3.1Å; K759-Y761 VanDerWaalsContact O-N 3.16Å
760	E	92.8	Very high	92	Very high	154 Å²	154	86.9 Å²	86.9	72%	0.72	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	25.3	177.8	-54	-178.3	155.4	0	0	114.5	L756 I757 E758 L775	L756-E760 PolarHBondContact O-N 2.76Å; I757-E760 PolarHBondContact O-N 2.97Å; E758-E760 VanDerWaalsContact C-N 3.3Å; E760-L775 WeakPolarHBondContact O-CB 3.49Å
761	Y	93.1	Very high	92	Very high	100 Å²	100	82.4 Å²	82.4	39%	0.392	41%	0.411	S	S	.	.	S	Bend	trans	-81.6	-28.4	169.6	-77.5	-87.4	0	0	0	111.9	V716 L756 K759 Y774 L775 A776	V716-Y761 HydrophobicContact CG1-CD1 4.09Å; V716-Y761 HydrophobicContact CG1-CE1 4.42Å; V716-Y761 HydrophobicContact CG2-CD1 3.98Å; V716-Y761 HydrophobicContact CG2-CG 4.16Å; L756-Y761 HydrophobicContact CD2-CD2 3.98Å; L756-Y761 HydrophobicContact CD2-CG 4.15Å; L756-Y761 PolarHBondContact O-N 3.44Å; K759-Y761 HydrophobicContact CB-CD2 3.68Å; K759-Y761 HydrophobicContact CB-CE2 3.99Å; K759-Y761 HydrophobicContact CD-CE2 4.5Å; K759-Y761 WeakPolarHBondContact O-CD2 3.29Å; K759-Y761 PolarHBondContact O-N 3.1Å; K759-Y761 VanDerWaalsContact O-N 3.16Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.11Å; Y761-L775 PolarHBondContact O-N 2.87Å; Y761-A776 HydrophobicContact CD1-CB 4.08Å
762	L	93.7	Very high	92	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.7	-175.2	-55.5	174.1	0	0	0	109.7	I715 M719 L756 I757 S773 Y774	I715-L762 HydrophobicContact CG2-CD1 3.71Å; M719-L762 HydrophobicContact CB-CD2 3.44Å; M719-L762 VanDerWaalsContact CB-CD2 3.44Å; M719-L762 HydrophobicContact CE-CD2 3.85Å; M719-L762 HydrophobicContact CG-CD1 4.41Å; M719-L762 HydrophobicContact CG-CD2 3.46Å; M719-L762 VanDerWaalsContact CG-CD2 3.46Å; M719-L762 HydrophobicContact SD-CD2 4.42Å; L756-L762 HydrophobicContact CB-CD1 3.77Å; L756-L762 HydrophobicContact CB-CG 4.16Å; L756-L762 HydrophobicContact CD1-CD1 4.1Å; L756-L762 PolarHBondContact O-N 3.24Å; I757-L762 WeakPolarHBondContact CA-O 3.45Å; I757-L762 HydrophobicContact CG1-CB 4Å; L762-S773 CarbonylContact C-O 3.53Å; L762-S773 VanDerWaalsContact CA-O 3.28Å; L762-S773 WeakPolarHBondContact CA-O 3.49Å; L762-Y774 HydrophobicContact CD2-CD2 4.02Å
763	E	93.2	Very high	91.9	Very high	88 Å²	88	76.5 Å²	76.5	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.3	166	67.4	-174.3	172.1	0	0	110	Y772 S773 L775	E763-Y772 CarbonylContact O-C 3.58Å; E763-Y772 VanDerWaalsContact O-CA 3.23Å; E763-Y772 WeakPolarHBondContact O-CA 3.49Å; E763-S773 WeakPolarHBondContact CG-OG 3.38Å; E763-S773 PolarHBondContact N-O 2.78Å; E763-S773 PolarHBondContact O-N 2.89Å; E763-S773 PolarHBondContact OE1-OG 2.89Å; E763-L775 HydrophobicContact CB-CD1 3.86Å; E763-L775 HydrophobicContact CB-CG 4.19Å; E763-L775 VanDerWaalsContact CD-CD2 3.47Å; E763-L775 HydrophobicContact CG-CD1 4.26Å; E763-L775 HydrophobicContact CG-CD2 4.07Å; E763-L775 HydrophobicContact CG-CG 4.05Å
764	R	93.1	Very high	91.9	Very high	111 Å²	111	77.9 Å²	77.9	42%	0.419	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.6	169.7	-66.9	-179.7	-176.5	-125	8.3	108.2	I757 D766 K769 T771 Y772	I757-R764 HydrophobicContact CD1-CG 4.2Å; R764-D766 PolarHBondContact O-N 3.09Å; R764-K769 PolarHBondContact NH1-O 2.79Å; R764-T771 WeakPolarHBondContact CA-O 3.34Å; R764-Y772 HydrophobicContact CG-CD1 4Å; R764-Y772 HydrophobicContact CG-CE1 3.9Å
765	V	90.3	Very high	91.7	Very high	45 Å²	45	78.4 Å²	78.4	27%	0.273	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-67.3	132.9	178	178.8	0	0	0	0	109.5	V724 G767 E768 T771	V724-V765 HydrophobicContact CG1-CG2 4.31Å; V765-G767 PolarHBondContact O-N 3.16Å; V765-E768 CarbonylContact O-C 3.53Å; V765-E768 PolarHBondContact O-N 3.1Å; V765-T771 HydrophobicContact CB-CG2 4.23Å; V765-T771 HydrophobicContact CG2-CG2 3.74Å; V765-T771 PolarHBondContact N-O 3.22Å
766	D	83.9	Confident	90.8	Very high	162 Å²	162	80.5 Å²	80.5	87%	0.866	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	127.9	177.9	-75.3	-33.5	0	0	0	111.3	R764 E768	R764-D766 PolarHBondContact O-N 3.09Å; D766-E768 VanDerWaalsContact C-N 3.3Å; D766-E768 PolarHBondContact O-N 3.2Å
767	G	84.2	Confident	90.5	Very high	89 Å²	89	84.3 Å²	84.3	92%	0.918	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-14	-176.9	0	0	0	0	0	115.3	V765	V765-G767 PolarHBondContact O-N 3.16Å
768	E	86.6	Confident	90.3	Very high	94 Å²	94	86.3 Å²	86.3	44%	0.439	45%	0.45	S	S	.	.			trans	-126.6	88.4	-179.6	-65.6	-166.6	174.3	0	0	112.3	V765 D766 D770 T771	V765-E768 CarbonylContact O-C 3.53Å; V765-E768 PolarHBondContact O-N 3.1Å; D766-E768 VanDerWaalsContact C-N 3.3Å; D766-E768 PolarHBondContact O-N 3.2Å; E768-D770 PolarHBondContact O-N 2.82Å; E768-T771 PolarHBondContact O-N 3.4Å; E768-T771 VanDerWaalsContact OE2-CB 3.31Å; E768-T771 WeakPolarHBondContact OE2-CB 3.43Å; E768-T771 PolarHBondContact OE2-OG1 2.96Å
769	K	81.9	Confident	90.1	Very high	170 Å²	170	82.3 Å²	82.3	74%	0.739	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.9	-177.9	-71.6	-172.3	178.6	-179.3	0	115	R764	R764-K769 PolarHBondContact NH1-O 2.79Å
770	D	91.1	Very high	89.8	Confident	114 Å²	114	80.4 Å²	80.4	61%	0.61	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	10	-177.7	-65.7	-23.6	0	0	0	113	K726 H727 E768	K726-D770 CarbonylContact C-O 3.56Å; K726-D770 VanDerWaalsContact CA-O 3.31Å; K726-D770 WeakPolarHBondContact CA-O 3.42Å; H727-D770 HydrophobicContact CB-CB 4.47Å; H727-D770 PolarHBondContact N-O 2.98Å; E768-D770 PolarHBondContact O-N 2.82Å
771	T	93.4	Very high	89.6	Confident	7 Å²	7	75.8 Å²	75.8	4%	0.043	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.7	179.3	-56.2	0	0	0	0	109.8	V724 R764 V765 E768	V724-T771 HydrophobicContact CG1-CG2 3.47Å; V724-T771 VanDerWaalsContact CG1-CG2 3.47Å; R764-T771 WeakPolarHBondContact CA-O 3.34Å; V765-T771 HydrophobicContact CB-CG2 4.23Å; V765-T771 HydrophobicContact CG2-CG2 3.74Å; V765-T771 PolarHBondContact N-O 3.22Å; E768-T771 PolarHBondContact O-N 3.4Å; E768-T771 VanDerWaalsContact OE2-CB 3.31Å; E768-T771 WeakPolarHBondContact OE2-CB 3.43Å; E768-T771 PolarHBondContact OE2-OG1 2.96Å
772	Y	95.3	Very high	89.4	Confident	7 Å²	7	74.2 Å²	74.2	3%	0.027	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142	177.6	-54.5	-69.5	0	0	0	110.3	M719 V724 L725 H727 L730 I753 I757 E763 R764	M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.08Å; V724-Y772 VanDerWaalsContact CA-O 3.29Å; V724-Y772 WeakPolarHBondContact CA-O 3.49Å; L725-Y772 PolarHBondContact N-O 3.14Å; L725-Y772 PolarHBondContact O-N 2.61Å; H727-Y772 HydrophobicContact CB-CE2 3.83Å; H727-Y772 AromaticContact ND1-CE2 3.38Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.32Å; H727-Y772 AromaticContact ND1-CZ 3.56Å; H727-Y772 PolarHBondContact ND1-OH 2.82Å; L730-Y772 HydrophobicContact CD2-CD2 3.86Å; L730-Y772 HydrophobicContact CD2-CE2 4.2Å; I753-Y772 HydrophobicContact CD1-CE2 4.3Å; I753-Y772 HydrophobicContact CG2-CD1 4.36Å; I753-Y772 HydrophobicContact CG2-CE1 3.81Å; I753-Y772 HydrophobicContact CG2-CE2 4.34Å; I757-Y772 HydrophobicContact CD1-CD1 4.31Å; I757-Y772 HydrophobicContact CD1-CE1 4.07Å; E763-Y772 CarbonylContact O-C 3.58Å; E763-Y772 VanDerWaalsContact O-CA 3.23Å; E763-Y772 WeakPolarHBondContact O-CA 3.49Å; R764-Y772 HydrophobicContact CG-CD1 4Å; R764-Y772 HydrophobicContact CG-CE1 3.9Å
773	S	94.1	Very high	89.1	Confident	14 Å²	14	79.4 Å²	79.4	10%	0.098	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.8	166	39.8	0	0	0	0	110.4	K723 L762 E763	K723-S773 CarbonylContact O-C 3.6Å; K723-S773 WeakPolarHBondContact O-CA 3.46Å; L762-S773 CarbonylContact C-O 3.53Å; L762-S773 VanDerWaalsContact CA-O 3.28Å; L762-S773 WeakPolarHBondContact CA-O 3.49Å; E763-S773 WeakPolarHBondContact CG-OG 3.38Å; E763-S773 PolarHBondContact N-O 2.78Å; E763-S773 PolarHBondContact O-N 2.89Å; E763-S773 PolarHBondContact OE1-OG 2.89Å
774	Y	95.3	Very high	88.8	Confident	31 Å²	31	78.8 Å²	78.8	12%	0.122	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.6	178.8	176.6	-104.1	0	0	0	110.9	V716 M719 K720 K723 Y761 L762 A776	V716-Y774 HydrophobicContact CG1-CE2 4.24Å; M719-Y774 HydrophobicContact CB-CD2 3.87Å; M719-Y774 HydrophobicContact CB-CG 4.29Å; M719-Y774 WeakPolarHBondContact O-CB 3.21Å; K720-Y774 HydrophobicContact CB-CD1 4.31Å; K720-Y774 HydrophobicContact CB-CD2 4.43Å; K720-Y774 HydrophobicContact CB-CE1 3.77Å; K720-Y774 HydrophobicContact CB-CE2 3.96Å; K720-Y774 HydrophobicContact CD-CE1 4.45Å; K720-Y774 HydrophobicContact CG-CE1 3.72Å; K723-Y774 HydrophobicContact CD-CD1 4.32Å; K723-Y774 PolarHBondContact O-N 2.93Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.11Å; L762-Y774 HydrophobicContact CD2-CD2 4.02Å; Y774-A776 WeakPolarHBondContact CE1-O 3.29Å; Y774-A776 HydrophobicContact CE2-CB 4.23Å; Y774-A776 WeakPolarHBondContact OH-CB 3.28Å; Y774-A776 PolarHBondContact OH-O 3.04Å
775	L	88.7	Confident	88.4	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.435	45%	0.448	S	S	.	.			trans	-100.7	-23	-169	-77.7	177.4	0	0	0	115.4	E760 Y761 E763	E760-L775 WeakPolarHBondContact O-CB 3.49Å; Y761-L775 PolarHBondContact O-N 2.87Å; E763-L775 HydrophobicContact CB-CD1 3.86Å; E763-L775 HydrophobicContact CB-CG 4.19Å; E763-L775 VanDerWaalsContact CD-CD2 3.47Å; E763-L775 HydrophobicContact CG-CD1 4.26Å; E763-L775 HydrophobicContact CG-CD2 4.07Å; E763-L775 HydrophobicContact CG-CG 4.05Å
776	A	76.2	Confident	88.2	Confident	97 Å²	97	78.9 Å²	78.9	80%	0.802	46%	0.463	S	S	*	.			trans	-100.5	0	-161	0	0	0	0	0	118	Y761 Y774	Y761-A776 HydrophobicContact CD1-CB 4.08Å; Y774-A776 WeakPolarHBondContact CE1-O 3.29Å; Y774-A776 HydrophobicContact CE2-CB 4.23Å; Y774-A776 WeakPolarHBondContact OH-CB 3.28Å; Y774-A776 PolarHBondContact OH-O 3.04Å

Retrieved 776 of 776 residues in 160.1 ms (Link to these results)

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